USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 429 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 36 ASN : amide:sc= -2.88! X(o=-3.8!,f=-3.9) USER MOD Set 1.2: A 39 THR OG1 : rot 176:sc= -0.936 USER MOD Single : A 7 SER OG : rot 37:sc= 0.103 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.972 K(o=0.97,f=0) USER MOD Single : A 21 SER OG : rot -103:sc= 1.24 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0681 K(o=-0.068,f=-0.81) USER MOD Single : A 28 GLN : amide:sc= 0.0878 X(o=0.088,f=-0.0059) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 46 LYS NZ :NH3+ -171:sc= -0.0262 (180deg=-0.213) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.166 X(o=-0.17,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.186 K(o=-0.19,f=-4.5!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 105 N SER A 7 5.194 4.375 -0.042 1.00 0.00 N ATOM 106 CA SER A 7 5.976 3.883 1.079 1.00 0.00 C ATOM 107 C SER A 7 6.682 2.582 0.722 1.00 0.00 C ATOM 108 O SER A 7 6.130 1.734 0.016 1.00 0.00 O ATOM 109 CB SER A 7 5.079 3.683 2.300 1.00 0.00 C ATOM 110 OG SER A 7 4.415 4.888 2.634 1.00 0.00 O ATOM 0 HA SER A 7 6.737 4.626 1.317 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.346 2.902 2.096 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.677 3.345 3.146 1.00 0.00 H new ATOM 0 HG SER A 7 4.175 5.368 1.814 1.00 0.00 H new ATOM 116 N GLU A 8 7.907 2.444 1.202 1.00 0.00 N ATOM 117 CA GLU A 8 8.682 1.224 1.019 1.00 0.00 C ATOM 118 C GLU A 8 7.988 0.050 1.709 1.00 0.00 C ATOM 119 O GLU A 8 8.021 -1.083 1.228 1.00 0.00 O ATOM 120 CB GLU A 8 10.111 1.402 1.563 1.00 0.00 C ATOM 121 CG GLU A 8 10.210 1.572 3.083 1.00 0.00 C ATOM 122 CD GLU A 8 9.480 2.799 3.603 1.00 0.00 C ATOM 123 OE1 GLU A 8 10.063 3.904 3.569 1.00 0.00 O ATOM 124 OE2 GLU A 8 8.311 2.667 4.029 1.00 0.00 O ATOM 0 H GLU A 8 8.392 3.171 1.728 1.00 0.00 H new ATOM 0 HA GLU A 8 8.748 1.012 -0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.705 0.537 1.270 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.559 2.273 1.085 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.803 0.684 3.567 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.261 1.637 3.366 1.00 0.00 H new ATOM 131 N GLU A 9 7.351 0.339 2.839 1.00 0.00 N ATOM 132 CA GLU A 9 6.602 -0.661 3.587 1.00 0.00 C ATOM 133 C GLU A 9 5.446 -1.205 2.750 1.00 0.00 C ATOM 134 O GLU A 9 5.085 -2.375 2.855 1.00 0.00 O ATOM 135 CB GLU A 9 6.071 -0.053 4.882 1.00 0.00 C ATOM 136 CG GLU A 9 5.457 -1.070 5.829 1.00 0.00 C ATOM 137 CD GLU A 9 4.969 -0.444 7.116 1.00 0.00 C ATOM 138 OE1 GLU A 9 3.889 0.184 7.103 1.00 0.00 O ATOM 139 OE2 GLU A 9 5.665 -0.568 8.144 1.00 0.00 O ATOM 0 H GLU A 9 7.340 1.268 3.259 1.00 0.00 H new ATOM 0 HA GLU A 9 7.271 -1.487 3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.886 0.460 5.393 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.323 0.701 4.639 1.00 0.00 H new ATOM 0 HG2 GLU A 9 4.624 -1.567 5.332 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.195 -1.838 6.060 1.00 0.00 H new ATOM 146 N PHE A 10 4.882 -0.347 1.912 1.00 0.00 N ATOM 147 CA PHE A 10 3.808 -0.744 1.005 1.00 0.00 C ATOM 148 C PHE A 10 4.336 -1.748 -0.021 1.00 0.00 C ATOM 149 O PHE A 10 3.687 -2.750 -0.318 1.00 0.00 O ATOM 150 CB PHE A 10 3.234 0.495 0.305 1.00 0.00 C ATOM 151 CG PHE A 10 2.140 0.200 -0.683 1.00 0.00 C ATOM 152 CD1 PHE A 10 0.883 -0.194 -0.250 1.00 0.00 C ATOM 153 CD2 PHE A 10 2.366 0.322 -2.045 1.00 0.00 C ATOM 154 CE1 PHE A 10 -0.124 -0.462 -1.156 1.00 0.00 C ATOM 155 CE2 PHE A 10 1.361 0.057 -2.955 1.00 0.00 C ATOM 156 CZ PHE A 10 0.114 -0.336 -2.510 1.00 0.00 C ATOM 0 H PHE A 10 5.150 0.634 1.839 1.00 0.00 H new ATOM 0 HA PHE A 10 3.011 -1.221 1.576 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.849 1.179 1.061 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.043 1.013 -0.211 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.689 -0.292 0.808 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.339 0.628 -2.399 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.098 -0.770 -0.805 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.550 0.157 -4.014 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.673 -0.544 -3.220 1.00 0.00 H new ATOM 166 N LYS A 11 5.527 -1.473 -0.538 1.00 0.00 N ATOM 167 CA LYS A 11 6.180 -2.360 -1.497 1.00 0.00 C ATOM 168 C LYS A 11 6.619 -3.652 -0.805 1.00 0.00 C ATOM 169 O LYS A 11 6.642 -4.720 -1.412 1.00 0.00 O ATOM 170 CB LYS A 11 7.377 -1.637 -2.136 1.00 0.00 C ATOM 171 CG LYS A 11 7.003 -0.276 -2.711 1.00 0.00 C ATOM 172 CD LYS A 11 8.202 0.500 -3.233 1.00 0.00 C ATOM 173 CE LYS A 11 8.772 -0.111 -4.495 1.00 0.00 C ATOM 174 NZ LYS A 11 9.638 0.848 -5.227 1.00 0.00 N ATOM 0 H LYS A 11 6.065 -0.637 -0.308 1.00 0.00 H new ATOM 0 HA LYS A 11 5.476 -2.625 -2.286 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.160 -1.508 -1.389 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.792 -2.260 -2.928 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.287 -0.415 -3.521 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.504 0.312 -1.941 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.908 1.531 -3.431 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.975 0.531 -2.465 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.348 -1.001 -4.240 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.957 -0.434 -5.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.010 0.394 -6.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.082 1.686 -5.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.429 1.136 -4.617 1.00 0.00 H new ATOM 188 N ARG A 12 6.948 -3.535 0.477 1.00 0.00 N ATOM 189 CA ARG A 12 7.267 -4.688 1.314 1.00 0.00 C ATOM 190 C ARG A 12 6.022 -5.552 1.527 1.00 0.00 C ATOM 191 O ARG A 12 6.090 -6.782 1.504 1.00 0.00 O ATOM 192 CB ARG A 12 7.808 -4.202 2.666 1.00 0.00 C ATOM 193 CG ARG A 12 8.075 -5.305 3.683 1.00 0.00 C ATOM 194 CD ARG A 12 8.337 -4.711 5.060 1.00 0.00 C ATOM 195 NE ARG A 12 8.508 -5.727 6.097 1.00 0.00 N ATOM 196 CZ ARG A 12 7.521 -6.175 6.870 1.00 0.00 C ATOM 197 NH1 ARG A 12 6.270 -5.780 6.659 1.00 0.00 N ATOM 198 NH2 ARG A 12 7.789 -7.027 7.852 1.00 0.00 N ATOM 0 H ARG A 12 7.001 -2.641 0.965 1.00 0.00 H new ATOM 0 HA ARG A 12 8.025 -5.292 0.816 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.734 -3.654 2.495 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.095 -3.497 3.094 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.220 -5.980 3.729 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.933 -5.898 3.367 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.231 -4.089 5.017 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.508 -4.058 5.332 1.00 0.00 H new ATOM 0 HE ARG A 12 9.440 -6.116 6.237 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.061 -5.130 5.901 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.518 -6.127 7.255 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.748 -7.336 8.012 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.036 -7.373 8.447 1.00 0.00 H new ATOM 212 N ASP A 13 4.885 -4.890 1.723 1.00 0.00 N ATOM 213 CA ASP A 13 3.612 -5.571 1.953 1.00 0.00 C ATOM 214 C ASP A 13 3.204 -6.366 0.717 1.00 0.00 C ATOM 215 O ASP A 13 2.649 -7.459 0.821 1.00 0.00 O ATOM 216 CB ASP A 13 2.522 -4.555 2.304 1.00 0.00 C ATOM 217 CG ASP A 13 1.204 -5.208 2.676 1.00 0.00 C ATOM 218 OD1 ASP A 13 1.033 -5.573 3.861 1.00 0.00 O ATOM 219 OD2 ASP A 13 0.333 -5.349 1.795 1.00 0.00 O ATOM 0 H ASP A 13 4.819 -3.872 1.727 1.00 0.00 H new ATOM 0 HA ASP A 13 3.735 -6.260 2.789 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.863 -3.937 3.135 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.365 -3.890 1.455 1.00 0.00 H new ATOM 224 N ALA A 14 3.502 -5.806 -0.453 1.00 0.00 N ATOM 225 CA ALA A 14 3.238 -6.475 -1.722 1.00 0.00 C ATOM 226 C ALA A 14 4.016 -7.783 -1.822 1.00 0.00 C ATOM 227 O ALA A 14 3.531 -8.767 -2.383 1.00 0.00 O ATOM 228 CB ALA A 14 3.588 -5.552 -2.883 1.00 0.00 C ATOM 0 H ALA A 14 3.929 -4.885 -0.547 1.00 0.00 H new ATOM 0 HA ALA A 14 2.176 -6.714 -1.771 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.387 -6.061 -3.826 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.983 -4.647 -2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.644 -5.287 -2.831 1.00 0.00 H new ATOM 234 N VAL A 15 5.221 -7.794 -1.261 1.00 0.00 N ATOM 235 CA VAL A 15 6.037 -9.003 -1.239 1.00 0.00 C ATOM 236 C VAL A 15 5.424 -10.044 -0.307 1.00 0.00 C ATOM 237 O VAL A 15 5.396 -11.233 -0.621 1.00 0.00 O ATOM 238 CB VAL A 15 7.483 -8.706 -0.799 1.00 0.00 C ATOM 239 CG1 VAL A 15 8.325 -9.975 -0.786 1.00 0.00 C ATOM 240 CG2 VAL A 15 8.104 -7.663 -1.707 1.00 0.00 C ATOM 0 H VAL A 15 5.653 -6.983 -0.817 1.00 0.00 H new ATOM 0 HA VAL A 15 6.063 -9.395 -2.256 1.00 0.00 H new ATOM 0 HB VAL A 15 7.455 -8.314 0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.341 -9.735 -0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.890 -10.693 -0.091 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.348 -10.407 -1.787 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.126 -7.462 -1.385 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.113 -8.032 -2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.521 -6.744 -1.657 1.00 0.00 H new ATOM 250 N ALA A 16 4.923 -9.585 0.835 1.00 0.00 N ATOM 251 CA ALA A 16 4.245 -10.464 1.782 1.00 0.00 C ATOM 252 C ALA A 16 2.990 -11.055 1.150 1.00 0.00 C ATOM 253 O ALA A 16 2.644 -12.215 1.381 1.00 0.00 O ATOM 254 CB ALA A 16 3.899 -9.711 3.057 1.00 0.00 C ATOM 0 H ALA A 16 4.974 -8.609 1.128 1.00 0.00 H new ATOM 0 HA ALA A 16 4.919 -11.280 2.041 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.394 -10.383 3.751 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.813 -9.335 3.517 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.242 -8.875 2.819 1.00 0.00 H new ATOM 260 N LEU A 17 2.315 -10.244 0.346 1.00 0.00 N ATOM 261 CA LEU A 17 1.173 -10.702 -0.433 1.00 0.00 C ATOM 262 C LEU A 17 1.603 -11.771 -1.436 1.00 0.00 C ATOM 263 O LEU A 17 0.868 -12.721 -1.696 1.00 0.00 O ATOM 264 CB LEU A 17 0.530 -9.521 -1.162 1.00 0.00 C ATOM 265 CG LEU A 17 -0.227 -8.539 -0.269 1.00 0.00 C ATOM 266 CD1 LEU A 17 -0.670 -7.327 -1.068 1.00 0.00 C ATOM 267 CD2 LEU A 17 -1.429 -9.218 0.363 1.00 0.00 C ATOM 0 H LEU A 17 2.541 -9.258 0.216 1.00 0.00 H new ATOM 0 HA LEU A 17 0.441 -11.141 0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.309 -8.976 -1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.158 -9.909 -1.913 1.00 0.00 H new ATOM 0 HG LEU A 17 0.444 -8.207 0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.208 -6.638 -0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.204 -6.826 -1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.325 -7.645 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.958 -8.506 0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.099 -9.575 -0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.095 -10.062 0.967 1.00 0.00 H new ATOM 279 N TYR A 18 2.809 -11.619 -1.976 1.00 0.00 N ATOM 280 CA TYR A 18 3.345 -12.568 -2.944 1.00 0.00 C ATOM 281 C TYR A 18 3.735 -13.879 -2.267 1.00 0.00 C ATOM 282 O TYR A 18 3.730 -14.936 -2.899 1.00 0.00 O ATOM 283 CB TYR A 18 4.550 -11.970 -3.676 1.00 0.00 C ATOM 284 CG TYR A 18 5.086 -12.850 -4.785 1.00 0.00 C ATOM 285 CD1 TYR A 18 4.368 -13.026 -5.959 1.00 0.00 C ATOM 286 CD2 TYR A 18 6.306 -13.501 -4.657 1.00 0.00 C ATOM 287 CE1 TYR A 18 4.850 -13.826 -6.976 1.00 0.00 C ATOM 288 CE2 TYR A 18 6.795 -14.305 -5.670 1.00 0.00 C ATOM 289 CZ TYR A 18 6.062 -14.462 -6.828 1.00 0.00 C ATOM 290 OH TYR A 18 6.543 -15.261 -7.838 1.00 0.00 O ATOM 0 H TYR A 18 3.435 -10.844 -1.758 1.00 0.00 H new ATOM 0 HA TYR A 18 2.563 -12.779 -3.674 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.267 -11.004 -4.095 1.00 0.00 H new ATOM 0 HB3 TYR A 18 5.346 -11.784 -2.955 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.417 -12.529 -6.079 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.882 -13.377 -3.752 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.279 -13.952 -7.884 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.744 -14.807 -5.555 1.00 0.00 H new ATOM 0 HH TYR A 18 7.410 -15.634 -7.575 1.00 0.00 H new ATOM 300 N GLU A 19 4.077 -13.816 -0.985 1.00 0.00 N ATOM 301 CA GLU A 19 4.334 -15.031 -0.216 1.00 0.00 C ATOM 302 C GLU A 19 3.065 -15.873 -0.178 1.00 0.00 C ATOM 303 O GLU A 19 3.104 -17.099 -0.276 1.00 0.00 O ATOM 304 CB GLU A 19 4.764 -14.711 1.219 1.00 0.00 C ATOM 305 CG GLU A 19 6.038 -13.887 1.332 1.00 0.00 C ATOM 306 CD GLU A 19 6.475 -13.700 2.776 1.00 0.00 C ATOM 307 OE1 GLU A 19 5.612 -13.391 3.627 1.00 0.00 O ATOM 308 OE2 GLU A 19 7.677 -13.885 3.070 1.00 0.00 O ATOM 0 H GLU A 19 4.182 -12.948 -0.460 1.00 0.00 H new ATOM 0 HA GLU A 19 5.145 -15.574 -0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.955 -14.174 1.715 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.904 -15.647 1.759 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.836 -14.376 0.773 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.879 -12.911 0.873 1.00 0.00 H new ATOM 315 N ASN A 20 1.942 -15.183 -0.085 1.00 0.00 N ATOM 316 CA ASN A 20 0.639 -15.811 0.040 1.00 0.00 C ATOM 317 C ASN A 20 -0.085 -15.810 -1.301 1.00 0.00 C ATOM 318 O ASN A 20 -1.314 -15.887 -1.353 1.00 0.00 O ATOM 319 CB ASN A 20 -0.187 -15.054 1.081 1.00 0.00 C ATOM 320 CG ASN A 20 0.402 -15.145 2.476 1.00 0.00 C ATOM 321 OD1 ASN A 20 0.075 -16.049 3.244 1.00 0.00 O ATOM 322 ND2 ASN A 20 1.271 -14.203 2.818 1.00 0.00 N ATOM 0 H ASN A 20 1.909 -14.164 -0.094 1.00 0.00 H new ATOM 0 HA ASN A 20 0.770 -16.845 0.358 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.259 -14.006 0.789 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.202 -15.452 1.093 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.694 -14.212 3.746 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.517 -13.470 2.153 1.00 0.00 H new ATOM 329 N SER A 21 0.687 -15.756 -2.383 1.00 0.00 N ATOM 330 CA SER A 21 0.133 -15.658 -3.732 1.00 0.00 C ATOM 331 C SER A 21 -0.643 -16.907 -4.126 1.00 0.00 C ATOM 332 O SER A 21 -1.465 -16.877 -5.041 1.00 0.00 O ATOM 333 CB SER A 21 1.246 -15.409 -4.743 1.00 0.00 C ATOM 334 OG SER A 21 2.289 -16.361 -4.593 1.00 0.00 O ATOM 0 H SER A 21 1.706 -15.779 -2.352 1.00 0.00 H new ATOM 0 HA SER A 21 -0.562 -14.818 -3.733 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.843 -15.462 -5.754 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.645 -14.403 -4.611 1.00 0.00 H new ATOM 0 HG SER A 21 3.048 -15.945 -4.134 1.00 0.00 H new ATOM 340 N ASP A 22 -0.386 -18.008 -3.433 1.00 0.00 N ATOM 341 CA ASP A 22 -1.109 -19.252 -3.687 1.00 0.00 C ATOM 342 C ASP A 22 -2.595 -19.073 -3.385 1.00 0.00 C ATOM 343 O ASP A 22 -3.443 -19.802 -3.902 1.00 0.00 O ATOM 344 CB ASP A 22 -0.528 -20.392 -2.853 1.00 0.00 C ATOM 345 CG ASP A 22 -1.221 -21.714 -3.116 1.00 0.00 C ATOM 346 OD1 ASP A 22 -1.359 -22.092 -4.298 1.00 0.00 O ATOM 347 OD2 ASP A 22 -1.619 -22.390 -2.143 1.00 0.00 O ATOM 0 H ASP A 22 0.314 -18.068 -2.693 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.997 -19.507 -4.741 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.535 -20.493 -3.072 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.614 -20.144 -1.795 1.00 0.00 H new ATOM 352 N GLY A 23 -2.899 -18.093 -2.545 1.00 0.00 N ATOM 353 CA GLY A 23 -4.277 -17.758 -2.260 1.00 0.00 C ATOM 354 C GLY A 23 -4.649 -16.397 -2.815 1.00 0.00 C ATOM 355 O GLY A 23 -5.806 -15.982 -2.744 1.00 0.00 O ATOM 0 H GLY A 23 -2.211 -17.522 -2.054 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.932 -18.517 -2.688 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.439 -17.768 -1.182 1.00 0.00 H new ATOM 359 N ALA A 24 -3.670 -15.709 -3.390 1.00 0.00 N ATOM 360 CA ALA A 24 -3.879 -14.373 -3.917 1.00 0.00 C ATOM 361 C ALA A 24 -3.068 -14.171 -5.186 1.00 0.00 C ATOM 362 O ALA A 24 -1.868 -13.897 -5.131 1.00 0.00 O ATOM 363 CB ALA A 24 -3.515 -13.332 -2.874 1.00 0.00 C ATOM 0 H ALA A 24 -2.719 -16.060 -3.502 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.934 -14.256 -4.164 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.677 -12.335 -3.283 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.140 -13.468 -1.991 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.467 -13.445 -2.598 1.00 0.00 H new ATOM 369 N SER A 25 -3.725 -14.333 -6.325 1.00 0.00 N ATOM 370 CA SER A 25 -3.063 -14.241 -7.617 1.00 0.00 C ATOM 371 C SER A 25 -2.504 -12.837 -7.846 1.00 0.00 C ATOM 372 O SER A 25 -3.014 -11.858 -7.294 1.00 0.00 O ATOM 373 CB SER A 25 -4.042 -14.613 -8.735 1.00 0.00 C ATOM 374 OG SER A 25 -3.408 -14.597 -10.003 1.00 0.00 O ATOM 0 H SER A 25 -4.724 -14.530 -6.380 1.00 0.00 H new ATOM 0 HA SER A 25 -2.229 -14.942 -7.627 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.454 -15.604 -8.545 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.879 -13.914 -8.736 1.00 0.00 H new ATOM 0 HG SER A 25 -4.057 -14.840 -10.696 1.00 0.00 H new ATOM 380 N LEU A 26 -1.462 -12.748 -8.670 1.00 0.00 N ATOM 381 CA LEU A 26 -0.815 -11.485 -8.974 1.00 0.00 C ATOM 382 C LEU A 26 -1.805 -10.462 -9.522 1.00 0.00 C ATOM 383 O LEU A 26 -1.712 -9.273 -9.214 1.00 0.00 O ATOM 384 CB LEU A 26 0.307 -11.720 -9.979 1.00 0.00 C ATOM 385 CG LEU A 26 1.544 -12.425 -9.420 1.00 0.00 C ATOM 386 CD1 LEU A 26 2.562 -12.666 -10.524 1.00 0.00 C ATOM 387 CD2 LEU A 26 2.157 -11.601 -8.300 1.00 0.00 C ATOM 0 H LEU A 26 -1.047 -13.551 -9.142 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.405 -11.080 -8.049 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.086 -12.311 -10.806 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.612 -10.758 -10.391 1.00 0.00 H new ATOM 0 HG LEU A 26 1.242 -13.391 -9.015 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.436 -13.168 -10.110 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.118 -13.291 -11.299 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.863 -11.712 -10.956 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.037 -12.114 -7.911 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.447 -10.623 -8.685 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.427 -11.474 -7.500 1.00 0.00 H new ATOM 399 N GLN A 27 -2.757 -10.926 -10.325 1.00 0.00 N ATOM 400 CA GLN A 27 -3.783 -10.048 -10.870 1.00 0.00 C ATOM 401 C GLN A 27 -4.654 -9.497 -9.747 1.00 0.00 C ATOM 402 O GLN A 27 -5.014 -8.324 -9.746 1.00 0.00 O ATOM 403 CB GLN A 27 -4.653 -10.794 -11.886 1.00 0.00 C ATOM 404 CG GLN A 27 -5.642 -9.894 -12.613 1.00 0.00 C ATOM 405 CD GLN A 27 -4.956 -8.860 -13.485 1.00 0.00 C ATOM 406 OE1 GLN A 27 -3.859 -9.090 -14.002 1.00 0.00 O ATOM 407 NE2 GLN A 27 -5.600 -7.718 -13.669 1.00 0.00 N ATOM 0 H GLN A 27 -2.838 -11.902 -10.611 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.289 -9.220 -11.379 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.008 -11.279 -12.619 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.202 -11.584 -11.373 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.299 -10.506 -13.230 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.272 -9.387 -11.882 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.505 -7.566 -13.224 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.191 -6.991 -14.255 1.00 0.00 H new ATOM 416 N GLN A 28 -4.965 -10.353 -8.780 1.00 0.00 N ATOM 417 CA GLN A 28 -5.802 -9.975 -7.649 1.00 0.00 C ATOM 418 C GLN A 28 -5.073 -8.954 -6.780 1.00 0.00 C ATOM 419 O GLN A 28 -5.663 -7.968 -6.333 1.00 0.00 O ATOM 420 CB GLN A 28 -6.177 -11.226 -6.838 1.00 0.00 C ATOM 421 CG GLN A 28 -7.205 -10.986 -5.740 1.00 0.00 C ATOM 422 CD GLN A 28 -6.589 -10.770 -4.368 1.00 0.00 C ATOM 423 OE1 GLN A 28 -6.362 -11.722 -3.625 1.00 0.00 O ATOM 424 NE2 GLN A 28 -6.335 -9.521 -4.017 1.00 0.00 N ATOM 0 H GLN A 28 -4.646 -11.322 -8.758 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.721 -9.516 -8.014 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.564 -11.983 -7.520 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.273 -11.635 -6.388 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.806 -10.115 -6.001 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.882 -11.839 -5.695 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.538 -8.758 -4.663 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.936 -9.320 -3.100 1.00 0.00 H new ATOM 433 N ILE A 29 -3.787 -9.193 -6.555 1.00 0.00 N ATOM 434 CA ILE A 29 -2.961 -8.280 -5.772 1.00 0.00 C ATOM 435 C ILE A 29 -2.860 -6.924 -6.464 1.00 0.00 C ATOM 436 O ILE A 29 -3.168 -5.890 -5.869 1.00 0.00 O ATOM 437 CB ILE A 29 -1.542 -8.856 -5.544 1.00 0.00 C ATOM 438 CG1 ILE A 29 -1.619 -10.203 -4.821 1.00 0.00 C ATOM 439 CG2 ILE A 29 -0.683 -7.878 -4.749 1.00 0.00 C ATOM 440 CD1 ILE A 29 -2.272 -10.127 -3.459 1.00 0.00 C ATOM 0 H ILE A 29 -3.292 -10.013 -6.904 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.441 -8.154 -4.801 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.077 -9.009 -6.518 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.174 -10.907 -5.441 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.611 -10.603 -4.709 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.310 -8.303 -4.600 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.598 -6.940 -5.297 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.146 -7.691 -3.780 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.290 -11.119 -3.008 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.705 -9.449 -2.821 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.292 -9.758 -3.565 1.00 0.00 H new ATOM 452 N ALA A 30 -2.455 -6.937 -7.729 1.00 0.00 N ATOM 453 CA ALA A 30 -2.298 -5.709 -8.499 1.00 0.00 C ATOM 454 C ALA A 30 -3.619 -4.957 -8.617 1.00 0.00 C ATOM 455 O ALA A 30 -3.653 -3.730 -8.545 1.00 0.00 O ATOM 456 CB ALA A 30 -1.744 -6.022 -9.881 1.00 0.00 C ATOM 0 H ALA A 30 -2.229 -7.788 -8.244 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.593 -5.068 -7.970 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.631 -5.097 -10.446 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.773 -6.507 -9.782 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.430 -6.687 -10.406 1.00 0.00 H new ATOM 462 N ASN A 31 -4.707 -5.705 -8.776 1.00 0.00 N ATOM 463 CA ASN A 31 -6.032 -5.119 -8.937 1.00 0.00 C ATOM 464 C ASN A 31 -6.468 -4.419 -7.651 1.00 0.00 C ATOM 465 O ASN A 31 -7.016 -3.317 -7.685 1.00 0.00 O ATOM 466 CB ASN A 31 -7.052 -6.202 -9.302 1.00 0.00 C ATOM 467 CG ASN A 31 -8.170 -5.693 -10.187 1.00 0.00 C ATOM 468 OD1 ASN A 31 -8.498 -4.507 -10.183 1.00 0.00 O ATOM 469 ND2 ASN A 31 -8.771 -6.594 -10.950 1.00 0.00 N ATOM 0 H ASN A 31 -4.695 -6.725 -8.797 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.984 -4.385 -9.742 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.539 -7.019 -9.809 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.479 -6.613 -8.387 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.536 -6.314 -11.564 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.469 -7.568 -10.924 1.00 0.00 H new ATOM 476 N ASP A 32 -6.203 -5.062 -6.515 1.00 0.00 N ATOM 477 CA ASP A 32 -6.604 -4.524 -5.215 1.00 0.00 C ATOM 478 C ASP A 32 -5.784 -3.290 -4.863 1.00 0.00 C ATOM 479 O ASP A 32 -6.321 -2.288 -4.391 1.00 0.00 O ATOM 480 CB ASP A 32 -6.435 -5.584 -4.124 1.00 0.00 C ATOM 481 CG ASP A 32 -6.957 -5.126 -2.774 1.00 0.00 C ATOM 482 OD1 ASP A 32 -8.166 -5.304 -2.512 1.00 0.00 O ATOM 483 OD2 ASP A 32 -6.164 -4.600 -1.963 1.00 0.00 O ATOM 0 H ASP A 32 -5.713 -5.955 -6.468 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.654 -4.240 -5.278 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.959 -6.492 -4.422 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.379 -5.840 -4.033 1.00 0.00 H new ATOM 488 N LEU A 33 -4.479 -3.369 -5.107 1.00 0.00 N ATOM 489 CA LEU A 33 -3.570 -2.271 -4.800 1.00 0.00 C ATOM 490 C LEU A 33 -3.711 -1.142 -5.820 1.00 0.00 C ATOM 491 O LEU A 33 -3.354 0.002 -5.543 1.00 0.00 O ATOM 492 CB LEU A 33 -2.117 -2.767 -4.757 1.00 0.00 C ATOM 493 CG LEU A 33 -1.668 -3.430 -3.445 1.00 0.00 C ATOM 494 CD1 LEU A 33 -2.487 -4.677 -3.143 1.00 0.00 C ATOM 495 CD2 LEU A 33 -0.186 -3.766 -3.507 1.00 0.00 C ATOM 0 H LEU A 33 -4.027 -4.186 -5.518 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.836 -1.881 -3.817 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.974 -3.480 -5.569 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.459 -1.921 -4.957 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.836 -2.721 -2.634 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.143 -5.121 -2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.539 -4.408 -3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.366 -5.397 -3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.120 -4.235 -2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.003 -4.452 -4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.388 -2.852 -3.659 1.00 0.00 H new ATOM 507 N GLY A 34 -4.241 -1.471 -6.993 1.00 0.00 N ATOM 508 CA GLY A 34 -4.431 -0.475 -8.033 1.00 0.00 C ATOM 509 C GLY A 34 -3.146 -0.175 -8.770 1.00 0.00 C ATOM 510 O GLY A 34 -2.854 0.980 -9.087 1.00 0.00 O ATOM 0 H GLY A 34 -4.543 -2.412 -7.243 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.181 -0.828 -8.741 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.818 0.443 -7.590 1.00 0.00 H new ATOM 514 N ILE A 35 -2.377 -1.217 -9.043 1.00 0.00 N ATOM 515 CA ILE A 35 -1.091 -1.075 -9.701 1.00 0.00 C ATOM 516 C ILE A 35 -0.954 -2.087 -10.832 1.00 0.00 C ATOM 517 O ILE A 35 -1.824 -2.934 -11.030 1.00 0.00 O ATOM 518 CB ILE A 35 0.072 -1.274 -8.706 1.00 0.00 C ATOM 519 CG1 ILE A 35 -0.073 -2.615 -7.977 1.00 0.00 C ATOM 520 CG2 ILE A 35 0.141 -0.117 -7.716 1.00 0.00 C ATOM 521 CD1 ILE A 35 1.068 -2.919 -7.035 1.00 0.00 C ATOM 0 H ILE A 35 -2.626 -2.180 -8.816 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.043 -0.064 -10.105 1.00 0.00 H new ATOM 0 HB ILE A 35 1.007 -1.290 -9.266 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.007 -2.614 -7.415 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.146 -3.414 -8.715 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.968 -0.279 -7.025 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.298 0.816 -8.257 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.793 -0.060 -7.157 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.897 -3.883 -6.555 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.003 -2.953 -7.595 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.129 -2.141 -6.274 1.00 0.00 H new ATOM 533 N ASN A 36 0.139 -1.996 -11.573 1.00 0.00 N ATOM 534 CA ASN A 36 0.424 -2.938 -12.631 1.00 0.00 C ATOM 535 C ASN A 36 1.079 -4.184 -12.052 1.00 0.00 C ATOM 536 O ASN A 36 1.885 -4.095 -11.125 1.00 0.00 O ATOM 537 CB ASN A 36 1.345 -2.277 -13.652 1.00 0.00 C ATOM 538 CG ASN A 36 1.768 -3.204 -14.768 1.00 0.00 C ATOM 539 OD1 ASN A 36 1.051 -4.130 -15.144 1.00 0.00 O ATOM 540 ND2 ASN A 36 2.948 -2.967 -15.299 1.00 0.00 N ATOM 0 H ASN A 36 0.846 -1.270 -11.455 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.503 -3.233 -13.122 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.839 -1.412 -14.081 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.234 -1.906 -13.142 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.298 -3.562 -16.050 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.513 -2.189 -14.959 1.00 0.00 H new ATOM 547 N ARG A 37 0.751 -5.339 -12.615 1.00 0.00 N ATOM 548 CA ARG A 37 1.293 -6.601 -12.154 1.00 0.00 C ATOM 549 C ARG A 37 2.786 -6.695 -12.428 1.00 0.00 C ATOM 550 O ARG A 37 3.528 -7.293 -11.655 1.00 0.00 O ATOM 551 CB ARG A 37 0.552 -7.757 -12.817 1.00 0.00 C ATOM 552 CG ARG A 37 0.384 -7.624 -14.321 1.00 0.00 C ATOM 553 CD ARG A 37 -0.269 -8.858 -14.915 1.00 0.00 C ATOM 554 NE ARG A 37 -0.839 -8.590 -16.231 1.00 0.00 N ATOM 555 CZ ARG A 37 -0.710 -9.393 -17.282 1.00 0.00 C ATOM 556 NH1 ARG A 37 -0.007 -10.514 -17.181 1.00 0.00 N ATOM 557 NH2 ARG A 37 -1.308 -9.084 -18.425 1.00 0.00 N ATOM 0 H ARG A 37 0.105 -5.423 -13.400 1.00 0.00 H new ATOM 0 HA ARG A 37 1.152 -6.660 -11.075 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.087 -8.683 -12.605 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.434 -7.848 -12.362 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.222 -6.746 -14.545 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.358 -7.466 -14.785 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.468 -9.657 -14.994 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.052 -9.213 -14.245 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.372 -7.729 -16.352 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.435 -10.761 -16.296 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.091 -11.129 -17.989 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.865 -8.232 -18.495 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.211 -9.698 -19.234 1.00 0.00 H new ATOM 571 N VAL A 38 3.216 -6.093 -13.524 1.00 0.00 N ATOM 572 CA VAL A 38 4.632 -6.066 -13.862 1.00 0.00 C ATOM 573 C VAL A 38 5.387 -5.204 -12.858 1.00 0.00 C ATOM 574 O VAL A 38 6.416 -5.614 -12.329 1.00 0.00 O ATOM 575 CB VAL A 38 4.875 -5.535 -15.292 1.00 0.00 C ATOM 576 CG1 VAL A 38 6.350 -5.610 -15.660 1.00 0.00 C ATOM 577 CG2 VAL A 38 4.027 -6.296 -16.303 1.00 0.00 C ATOM 0 H VAL A 38 2.610 -5.618 -14.193 1.00 0.00 H new ATOM 0 HA VAL A 38 5.000 -7.091 -13.822 1.00 0.00 H new ATOM 0 HB VAL A 38 4.576 -4.487 -15.316 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.492 -5.230 -16.672 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.930 -5.008 -14.961 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.685 -6.646 -15.611 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.215 -5.905 -17.303 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.287 -7.354 -16.273 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.972 -6.174 -16.058 1.00 0.00 H new ATOM 587 N THR A 39 4.843 -4.023 -12.570 1.00 0.00 N ATOM 588 CA THR A 39 5.440 -3.128 -11.586 1.00 0.00 C ATOM 589 C THR A 39 5.460 -3.796 -10.211 1.00 0.00 C ATOM 590 O THR A 39 6.444 -3.706 -9.475 1.00 0.00 O ATOM 591 CB THR A 39 4.659 -1.804 -11.505 1.00 0.00 C ATOM 592 OG1 THR A 39 4.380 -1.333 -12.832 1.00 0.00 O ATOM 593 CG2 THR A 39 5.452 -0.749 -10.747 1.00 0.00 C ATOM 0 H THR A 39 3.992 -3.666 -13.004 1.00 0.00 H new ATOM 0 HA THR A 39 6.462 -2.912 -11.899 1.00 0.00 H new ATOM 0 HB THR A 39 3.727 -1.984 -10.970 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.827 -0.526 -12.783 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.878 0.177 -10.704 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.650 -1.100 -9.734 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.397 -0.567 -11.259 1.00 0.00 H new ATOM 601 N LEU A 40 4.364 -4.478 -9.893 1.00 0.00 N ATOM 602 CA LEU A 40 4.247 -5.247 -8.659 1.00 0.00 C ATOM 603 C LEU A 40 5.355 -6.292 -8.562 1.00 0.00 C ATOM 604 O LEU A 40 6.072 -6.365 -7.561 1.00 0.00 O ATOM 605 CB LEU A 40 2.879 -5.940 -8.622 1.00 0.00 C ATOM 606 CG LEU A 40 2.656 -6.911 -7.465 1.00 0.00 C ATOM 607 CD1 LEU A 40 2.573 -6.161 -6.148 1.00 0.00 C ATOM 608 CD2 LEU A 40 1.393 -7.724 -7.699 1.00 0.00 C ATOM 0 H LEU A 40 3.533 -4.513 -10.483 1.00 0.00 H new ATOM 0 HA LEU A 40 4.343 -4.567 -7.813 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.105 -5.173 -8.582 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.742 -6.482 -9.558 1.00 0.00 H new ATOM 0 HG LEU A 40 3.504 -7.594 -7.414 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.414 -6.870 -5.335 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.503 -5.618 -5.979 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.742 -5.456 -6.183 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.244 -8.413 -6.867 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.537 -7.053 -7.772 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.491 -8.290 -8.626 1.00 0.00 H new ATOM 620 N LYS A 41 5.492 -7.087 -9.618 1.00 0.00 N ATOM 621 CA LYS A 41 6.462 -8.175 -9.652 1.00 0.00 C ATOM 622 C LYS A 41 7.887 -7.636 -9.535 1.00 0.00 C ATOM 623 O LYS A 41 8.733 -8.226 -8.863 1.00 0.00 O ATOM 624 CB LYS A 41 6.303 -8.973 -10.949 1.00 0.00 C ATOM 625 CG LYS A 41 6.826 -10.397 -10.866 1.00 0.00 C ATOM 626 CD LYS A 41 6.571 -11.150 -12.160 1.00 0.00 C ATOM 627 CE LYS A 41 6.840 -12.638 -12.004 1.00 0.00 C ATOM 628 NZ LYS A 41 6.603 -13.375 -13.270 1.00 0.00 N ATOM 0 H LYS A 41 4.937 -6.996 -10.469 1.00 0.00 H new ATOM 0 HA LYS A 41 6.276 -8.832 -8.802 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.248 -9.000 -11.220 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.825 -8.451 -11.751 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.895 -10.383 -10.654 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.344 -10.917 -10.038 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.538 -10.997 -12.473 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.206 -10.746 -12.948 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.870 -12.790 -11.682 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.199 -13.044 -11.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.797 -14.386 -13.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.613 -13.251 -13.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.233 -13.005 -14.010 1.00 0.00 H new ATOM 642 N ASN A 42 8.134 -6.507 -10.185 1.00 0.00 N ATOM 643 CA ASN A 42 9.447 -5.865 -10.156 1.00 0.00 C ATOM 644 C ASN A 42 9.808 -5.391 -8.751 1.00 0.00 C ATOM 645 O ASN A 42 10.977 -5.423 -8.364 1.00 0.00 O ATOM 646 CB ASN A 42 9.501 -4.697 -11.142 1.00 0.00 C ATOM 647 CG ASN A 42 9.638 -5.159 -12.582 1.00 0.00 C ATOM 648 OD1 ASN A 42 9.196 -6.248 -12.946 1.00 0.00 O ATOM 649 ND2 ASN A 42 10.258 -4.336 -13.412 1.00 0.00 N ATOM 0 H ASN A 42 7.439 -6.012 -10.743 1.00 0.00 H new ATOM 0 HA ASN A 42 10.183 -6.611 -10.457 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.596 -4.098 -11.040 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.342 -4.051 -10.889 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.383 -4.597 -14.390 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.611 -3.441 -13.074 1.00 0.00 H new ATOM 656 N TRP A 43 8.807 -4.956 -7.986 1.00 0.00 N ATOM 657 CA TRP A 43 9.026 -4.594 -6.586 1.00 0.00 C ATOM 658 C TRP A 43 9.505 -5.809 -5.803 1.00 0.00 C ATOM 659 O TRP A 43 10.459 -5.737 -5.027 1.00 0.00 O ATOM 660 CB TRP A 43 7.742 -4.059 -5.942 1.00 0.00 C ATOM 661 CG TRP A 43 7.337 -2.695 -6.405 1.00 0.00 C ATOM 662 CD1 TRP A 43 8.083 -1.816 -7.136 1.00 0.00 C ATOM 663 CD2 TRP A 43 6.094 -2.040 -6.136 1.00 0.00 C ATOM 664 NE1 TRP A 43 7.373 -0.660 -7.350 1.00 0.00 N ATOM 665 CE2 TRP A 43 6.149 -0.773 -6.747 1.00 0.00 C ATOM 666 CE3 TRP A 43 4.937 -2.400 -5.442 1.00 0.00 C ATOM 667 CZ2 TRP A 43 5.093 0.131 -6.684 1.00 0.00 C ATOM 668 CZ3 TRP A 43 3.890 -1.502 -5.381 1.00 0.00 C ATOM 669 CH2 TRP A 43 3.974 -0.249 -5.996 1.00 0.00 C ATOM 0 H TRP A 43 7.845 -4.846 -8.308 1.00 0.00 H new ATOM 0 HA TRP A 43 9.783 -3.810 -6.560 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.929 -4.755 -6.149 1.00 0.00 H new ATOM 0 HB3 TRP A 43 7.875 -4.037 -4.860 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.085 -2.002 -7.494 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.704 0.151 -7.873 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.862 -3.364 -4.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.155 1.098 -7.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.990 -1.772 -4.849 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.139 0.432 -5.926 1.00 0.00 H new ATOM 680 N ILE A 44 8.841 -6.927 -6.044 1.00 0.00 N ATOM 681 CA ILE A 44 9.129 -8.175 -5.355 1.00 0.00 C ATOM 682 C ILE A 44 10.563 -8.634 -5.628 1.00 0.00 C ATOM 683 O ILE A 44 11.199 -9.234 -4.770 1.00 0.00 O ATOM 684 CB ILE A 44 8.134 -9.275 -5.784 1.00 0.00 C ATOM 685 CG1 ILE A 44 6.698 -8.771 -5.608 1.00 0.00 C ATOM 686 CG2 ILE A 44 8.354 -10.542 -4.971 1.00 0.00 C ATOM 687 CD1 ILE A 44 5.654 -9.650 -6.264 1.00 0.00 C ATOM 0 H ILE A 44 8.085 -6.996 -6.725 1.00 0.00 H new ATOM 0 HA ILE A 44 9.020 -7.998 -4.285 1.00 0.00 H new ATOM 0 HB ILE A 44 8.302 -9.511 -6.835 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.478 -8.695 -4.543 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.623 -7.765 -6.021 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.643 -11.306 -5.288 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.370 -10.904 -5.129 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.206 -10.326 -3.913 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.664 -9.227 -6.095 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.847 -9.706 -7.335 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.699 -10.651 -5.834 1.00 0.00 H new ATOM 699 N ILE A 45 11.068 -8.326 -6.820 1.00 0.00 N ATOM 700 CA ILE A 45 12.424 -8.714 -7.213 1.00 0.00 C ATOM 701 C ILE A 45 13.478 -8.108 -6.280 1.00 0.00 C ATOM 702 O ILE A 45 14.469 -8.757 -5.942 1.00 0.00 O ATOM 703 CB ILE A 45 12.734 -8.281 -8.664 1.00 0.00 C ATOM 704 CG1 ILE A 45 11.712 -8.882 -9.630 1.00 0.00 C ATOM 705 CG2 ILE A 45 14.146 -8.692 -9.060 1.00 0.00 C ATOM 706 CD1 ILE A 45 11.894 -8.440 -11.068 1.00 0.00 C ATOM 0 H ILE A 45 10.558 -7.807 -7.534 1.00 0.00 H new ATOM 0 HA ILE A 45 12.468 -9.801 -7.142 1.00 0.00 H new ATOM 0 HB ILE A 45 12.667 -7.194 -8.718 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.777 -9.969 -9.583 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.710 -8.608 -9.300 1.00 0.00 H new ATOM 0 HG21 ILE A 45 14.343 -8.377 -10.085 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.864 -8.218 -8.391 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.243 -9.775 -8.988 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.132 -8.908 -11.692 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.798 -7.356 -11.130 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.882 -8.738 -11.418 1.00 0.00 H new ATOM 718 N LYS A 46 13.249 -6.872 -5.853 1.00 0.00 N ATOM 719 CA LYS A 46 14.239 -6.155 -5.057 1.00 0.00 C ATOM 720 C LYS A 46 14.107 -6.475 -3.570 1.00 0.00 C ATOM 721 O LYS A 46 15.107 -6.639 -2.869 1.00 0.00 O ATOM 722 CB LYS A 46 14.105 -4.645 -5.266 1.00 0.00 C ATOM 723 CG LYS A 46 15.255 -3.850 -4.666 1.00 0.00 C ATOM 724 CD LYS A 46 14.992 -2.356 -4.718 1.00 0.00 C ATOM 725 CE LYS A 46 16.203 -1.556 -4.258 1.00 0.00 C ATOM 726 NZ LYS A 46 16.676 -1.981 -2.913 1.00 0.00 N ATOM 0 H LYS A 46 12.394 -6.348 -6.042 1.00 0.00 H new ATOM 0 HA LYS A 46 15.222 -6.484 -5.393 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.047 -4.437 -6.334 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.168 -4.306 -4.824 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.409 -4.157 -3.631 1.00 0.00 H new ATOM 0 HG3 LYS A 46 16.175 -4.077 -5.206 1.00 0.00 H new ATOM 0 HD2 LYS A 46 14.730 -2.068 -5.736 1.00 0.00 H new ATOM 0 HD3 LYS A 46 14.136 -2.115 -4.088 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.011 -1.674 -4.980 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.949 -0.496 -4.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 17.400 -1.316 -2.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 15.875 -1.989 -2.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 17.085 -2.935 -2.974 1.00 0.00 H new ATOM 740 N TYR A 47 12.874 -6.555 -3.086 1.00 0.00 N ATOM 741 CA TYR A 47 12.628 -6.745 -1.660 1.00 0.00 C ATOM 742 C TYR A 47 12.587 -8.230 -1.286 1.00 0.00 C ATOM 743 O TYR A 47 12.951 -8.609 -0.173 1.00 0.00 O ATOM 744 CB TYR A 47 11.320 -6.058 -1.258 1.00 0.00 C ATOM 745 CG TYR A 47 11.337 -4.550 -1.428 1.00 0.00 C ATOM 746 CD1 TYR A 47 10.979 -3.964 -2.633 1.00 0.00 C ATOM 747 CD2 TYR A 47 11.704 -3.714 -0.379 1.00 0.00 C ATOM 748 CE1 TYR A 47 10.990 -2.592 -2.795 1.00 0.00 C ATOM 749 CE2 TYR A 47 11.716 -2.337 -0.534 1.00 0.00 C ATOM 750 CZ TYR A 47 11.358 -1.783 -1.745 1.00 0.00 C ATOM 751 OH TYR A 47 11.371 -0.415 -1.908 1.00 0.00 O ATOM 0 H TYR A 47 12.031 -6.492 -3.656 1.00 0.00 H new ATOM 0 HA TYR A 47 13.455 -6.292 -1.114 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.506 -6.471 -1.854 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.103 -6.293 -0.216 1.00 0.00 H new ATOM 0 HD1 TYR A 47 10.686 -4.593 -3.461 1.00 0.00 H new ATOM 0 HD2 TYR A 47 11.984 -4.145 0.571 1.00 0.00 H new ATOM 0 HE1 TYR A 47 10.711 -2.156 -3.743 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.004 -1.701 0.290 1.00 0.00 H new ATOM 0 HH TYR A 47 11.653 0.011 -1.072 1.00 0.00 H new ATOM 761 N GLY A 48 12.150 -9.065 -2.218 1.00 0.00 N ATOM 762 CA GLY A 48 12.087 -10.492 -1.965 1.00 0.00 C ATOM 763 C GLY A 48 13.309 -11.212 -2.494 1.00 0.00 C ATOM 764 O GLY A 48 13.284 -11.776 -3.586 1.00 0.00 O ATOM 0 H GLY A 48 11.837 -8.780 -3.146 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.998 -10.667 -0.893 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.192 -10.904 -2.431 1.00 0.00 H new ATOM 928 N ALA A 61 21.174 -12.519 -19.983 1.00 0.00 N ATOM 929 CA ALA A 61 21.547 -12.740 -18.592 1.00 0.00 C ATOM 930 C ALA A 61 23.008 -13.152 -18.459 1.00 0.00 C ATOM 931 O ALA A 61 23.530 -13.264 -17.353 1.00 0.00 O ATOM 932 CB ALA A 61 20.631 -13.771 -17.950 1.00 0.00 C ATOM 0 HA ALA A 61 21.428 -11.794 -18.063 1.00 0.00 H new ATOM 0 HB1 ALA A 61 20.925 -13.923 -16.911 1.00 0.00 H new ATOM 0 HB2 ALA A 61 19.601 -13.416 -17.987 1.00 0.00 H new ATOM 0 HB3 ALA A 61 20.709 -14.714 -18.491 1.00 0.00 H new ATOM 938 N VAL A 62 23.668 -13.346 -19.588 1.00 0.00 N ATOM 939 CA VAL A 62 25.079 -13.707 -19.592 1.00 0.00 C ATOM 940 C VAL A 62 25.929 -12.522 -19.141 1.00 0.00 C ATOM 941 O VAL A 62 26.884 -12.672 -18.383 1.00 0.00 O ATOM 942 CB VAL A 62 25.539 -14.184 -20.989 1.00 0.00 C ATOM 943 CG1 VAL A 62 27.021 -14.535 -20.987 1.00 0.00 C ATOM 944 CG2 VAL A 62 24.709 -15.374 -21.449 1.00 0.00 C ATOM 0 H VAL A 62 23.251 -13.260 -20.515 1.00 0.00 H new ATOM 0 HA VAL A 62 25.211 -14.533 -18.893 1.00 0.00 H new ATOM 0 HB VAL A 62 25.387 -13.364 -21.691 1.00 0.00 H new ATOM 0 HG11 VAL A 62 27.318 -14.867 -21.982 1.00 0.00 H new ATOM 0 HG12 VAL A 62 27.603 -13.656 -20.710 1.00 0.00 H new ATOM 0 HG13 VAL A 62 27.205 -15.333 -20.268 1.00 0.00 H new ATOM 0 HG21 VAL A 62 25.048 -15.695 -22.434 1.00 0.00 H new ATOM 0 HG22 VAL A 62 24.825 -16.194 -20.740 1.00 0.00 H new ATOM 0 HG23 VAL A 62 23.659 -15.086 -21.503 1.00 0.00 H new ATOM 954 N SER A 63 25.553 -11.339 -19.592 1.00 0.00 N ATOM 955 CA SER A 63 26.258 -10.121 -19.224 1.00 0.00 C ATOM 956 C SER A 63 25.857 -9.672 -17.819 1.00 0.00 C ATOM 957 O SER A 63 26.672 -9.147 -17.063 1.00 0.00 O ATOM 958 CB SER A 63 25.951 -9.021 -20.240 1.00 0.00 C ATOM 959 OG SER A 63 26.256 -9.450 -21.559 1.00 0.00 O ATOM 0 H SER A 63 24.760 -11.194 -20.217 1.00 0.00 H new ATOM 0 HA SER A 63 27.330 -10.320 -19.226 1.00 0.00 H new ATOM 0 HB2 SER A 63 24.898 -8.746 -20.177 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.529 -8.128 -20.001 1.00 0.00 H new ATOM 0 HG SER A 63 26.050 -8.731 -22.193 1.00 0.00 H new ATOM 965 N GLU A 64 24.596 -9.911 -17.473 1.00 0.00 N ATOM 966 CA GLU A 64 24.050 -9.505 -16.179 1.00 0.00 C ATOM 967 C GLU A 64 24.640 -10.351 -15.051 1.00 0.00 C ATOM 968 O GLU A 64 24.714 -9.919 -13.899 1.00 0.00 O ATOM 969 CB GLU A 64 22.529 -9.657 -16.197 1.00 0.00 C ATOM 970 CG GLU A 64 21.795 -8.579 -15.423 1.00 0.00 C ATOM 971 CD GLU A 64 21.951 -7.209 -16.057 1.00 0.00 C ATOM 972 OE1 GLU A 64 21.651 -7.070 -17.264 1.00 0.00 O ATOM 973 OE2 GLU A 64 22.366 -6.267 -15.353 1.00 0.00 O ATOM 0 H GLU A 64 23.926 -10.388 -18.076 1.00 0.00 H new ATOM 0 HA GLU A 64 24.314 -8.462 -16.001 1.00 0.00 H new ATOM 0 HB2 GLU A 64 22.185 -9.646 -17.231 1.00 0.00 H new ATOM 0 HB3 GLU A 64 22.266 -10.631 -15.783 1.00 0.00 H new ATOM 0 HG2 GLU A 64 20.736 -8.832 -15.366 1.00 0.00 H new ATOM 0 HG3 GLU A 64 22.171 -8.549 -14.400 1.00 0.00 H new ATOM 980 N ALA A 65 25.078 -11.550 -15.410 1.00 0.00 N ATOM 981 CA ALA A 65 25.610 -12.523 -14.462 1.00 0.00 C ATOM 982 C ALA A 65 26.810 -11.992 -13.684 1.00 0.00 C ATOM 983 O ALA A 65 27.093 -12.475 -12.595 1.00 0.00 O ATOM 984 CB ALA A 65 25.990 -13.803 -15.187 1.00 0.00 C ATOM 0 H ALA A 65 25.075 -11.879 -16.376 1.00 0.00 H new ATOM 0 HA ALA A 65 24.821 -12.726 -13.738 1.00 0.00 H new ATOM 0 HB1 ALA A 65 26.386 -14.523 -14.471 1.00 0.00 H new ATOM 0 HB2 ALA A 65 25.108 -14.222 -15.673 1.00 0.00 H new ATOM 0 HB3 ALA A 65 26.749 -13.584 -15.939 1.00 0.00 H new ATOM 990 N GLU A 66 27.511 -11.002 -14.236 1.00 0.00 N ATOM 991 CA GLU A 66 28.720 -10.473 -13.601 1.00 0.00 C ATOM 992 C GLU A 66 28.426 -9.949 -12.193 1.00 0.00 C ATOM 993 O GLU A 66 29.141 -10.263 -11.239 1.00 0.00 O ATOM 994 CB GLU A 66 29.333 -9.351 -14.449 1.00 0.00 C ATOM 995 CG GLU A 66 30.692 -8.882 -13.943 1.00 0.00 C ATOM 996 CD GLU A 66 31.762 -9.959 -14.032 1.00 0.00 C ATOM 997 OE1 GLU A 66 31.648 -10.986 -13.326 1.00 0.00 O ATOM 998 OE2 GLU A 66 32.729 -9.778 -14.802 1.00 0.00 O ATOM 0 H GLU A 66 27.265 -10.551 -15.117 1.00 0.00 H new ATOM 0 HA GLU A 66 29.433 -11.294 -13.524 1.00 0.00 H new ATOM 0 HB2 GLU A 66 29.437 -9.698 -15.477 1.00 0.00 H new ATOM 0 HB3 GLU A 66 28.648 -8.503 -14.466 1.00 0.00 H new ATOM 0 HG2 GLU A 66 31.009 -8.014 -14.521 1.00 0.00 H new ATOM 0 HG3 GLU A 66 30.596 -8.558 -12.907 1.00 0.00 H new ATOM 1005 N GLN A 67 27.365 -9.164 -12.063 1.00 0.00 N ATOM 1006 CA GLN A 67 27.004 -8.591 -10.772 1.00 0.00 C ATOM 1007 C GLN A 67 26.291 -9.634 -9.915 1.00 0.00 C ATOM 1008 O GLN A 67 26.407 -9.637 -8.691 1.00 0.00 O ATOM 1009 CB GLN A 67 26.130 -7.348 -10.963 1.00 0.00 C ATOM 1010 CG GLN A 67 24.795 -7.625 -11.629 1.00 0.00 C ATOM 1011 CD GLN A 67 24.153 -6.369 -12.175 1.00 0.00 C ATOM 1012 OE1 GLN A 67 23.408 -5.678 -11.479 1.00 0.00 O ATOM 1013 NE2 GLN A 67 24.434 -6.074 -13.434 1.00 0.00 N ATOM 0 H GLN A 67 26.742 -8.910 -12.830 1.00 0.00 H new ATOM 0 HA GLN A 67 27.914 -8.286 -10.255 1.00 0.00 H new ATOM 0 HB2 GLN A 67 25.950 -6.890 -9.990 1.00 0.00 H new ATOM 0 HB3 GLN A 67 26.678 -6.620 -11.561 1.00 0.00 H new ATOM 0 HG2 GLN A 67 24.938 -8.339 -12.440 1.00 0.00 H new ATOM 0 HG3 GLN A 67 24.122 -8.091 -10.909 1.00 0.00 H new ATOM 0 HE21 GLN A 67 25.057 -6.676 -13.972 1.00 0.00 H new ATOM 0 HE22 GLN A 67 24.028 -5.244 -13.866 1.00 0.00 H new ATOM 1022 N ILE A 68 25.567 -10.532 -10.576 1.00 0.00 N ATOM 1023 CA ILE A 68 24.921 -11.651 -9.903 1.00 0.00 C ATOM 1024 C ILE A 68 25.976 -12.522 -9.227 1.00 0.00 C ATOM 1025 O ILE A 68 25.832 -12.928 -8.078 1.00 0.00 O ATOM 1026 CB ILE A 68 24.101 -12.497 -10.909 1.00 0.00 C ATOM 1027 CG1 ILE A 68 22.965 -11.663 -11.512 1.00 0.00 C ATOM 1028 CG2 ILE A 68 23.549 -13.754 -10.249 1.00 0.00 C ATOM 1029 CD1 ILE A 68 21.976 -11.137 -10.490 1.00 0.00 C ATOM 0 H ILE A 68 25.413 -10.505 -11.584 1.00 0.00 H new ATOM 0 HA ILE A 68 24.238 -11.258 -9.150 1.00 0.00 H new ATOM 0 HB ILE A 68 24.770 -12.806 -11.712 1.00 0.00 H new ATOM 0 HG12 ILE A 68 23.395 -10.820 -12.054 1.00 0.00 H new ATOM 0 HG13 ILE A 68 22.429 -12.271 -12.241 1.00 0.00 H new ATOM 0 HG21 ILE A 68 22.978 -14.328 -10.979 1.00 0.00 H new ATOM 0 HG22 ILE A 68 24.374 -14.361 -9.875 1.00 0.00 H new ATOM 0 HG23 ILE A 68 22.900 -13.474 -9.419 1.00 0.00 H new ATOM 0 HD11 ILE A 68 21.204 -10.558 -10.996 1.00 0.00 H new ATOM 0 HD12 ILE A 68 21.516 -11.974 -9.964 1.00 0.00 H new ATOM 0 HD13 ILE A 68 22.496 -10.501 -9.774 1.00 0.00 H new ATOM 1041 N ARG A 69 27.051 -12.759 -9.960 1.00 0.00 N ATOM 1042 CA ARG A 69 28.201 -13.525 -9.494 1.00 0.00 C ATOM 1043 C ARG A 69 28.772 -12.967 -8.186 1.00 0.00 C ATOM 1044 O ARG A 69 29.256 -13.720 -7.336 1.00 0.00 O ATOM 1045 CB ARG A 69 29.253 -13.495 -10.607 1.00 0.00 C ATOM 1046 CG ARG A 69 30.642 -13.969 -10.224 1.00 0.00 C ATOM 1047 CD ARG A 69 31.588 -13.783 -11.399 1.00 0.00 C ATOM 1048 NE ARG A 69 32.984 -14.033 -11.057 1.00 0.00 N ATOM 1049 CZ ARG A 69 33.996 -13.293 -11.513 1.00 0.00 C ATOM 1050 NH1 ARG A 69 33.760 -12.221 -12.263 1.00 0.00 N ATOM 1051 NH2 ARG A 69 35.244 -13.623 -11.213 1.00 0.00 N ATOM 0 H ARG A 69 27.153 -12.418 -10.916 1.00 0.00 H new ATOM 0 HA ARG A 69 27.896 -14.549 -9.277 1.00 0.00 H new ATOM 0 HB2 ARG A 69 28.896 -14.110 -11.433 1.00 0.00 H new ATOM 0 HB3 ARG A 69 29.329 -12.474 -10.980 1.00 0.00 H new ATOM 0 HG2 ARG A 69 31.003 -13.409 -9.362 1.00 0.00 H new ATOM 0 HG3 ARG A 69 30.611 -15.019 -9.932 1.00 0.00 H new ATOM 0 HD2 ARG A 69 31.292 -14.454 -12.205 1.00 0.00 H new ATOM 0 HD3 ARG A 69 31.490 -12.766 -11.779 1.00 0.00 H new ATOM 0 HE ARG A 69 33.197 -14.814 -10.437 1.00 0.00 H new ATOM 0 HH11 ARG A 69 32.801 -11.960 -12.493 1.00 0.00 H new ATOM 0 HH12 ARG A 69 34.538 -11.659 -12.609 1.00 0.00 H new ATOM 0 HH21 ARG A 69 35.430 -14.442 -10.634 1.00 0.00 H new ATOM 0 HH22 ARG A 69 36.019 -13.058 -11.561 1.00 0.00 H new ATOM 1065 N GLN A 70 28.703 -11.653 -8.027 1.00 0.00 N ATOM 1066 CA GLN A 70 29.263 -10.989 -6.861 1.00 0.00 C ATOM 1067 C GLN A 70 28.334 -11.118 -5.656 1.00 0.00 C ATOM 1068 O GLN A 70 28.772 -11.423 -4.544 1.00 0.00 O ATOM 1069 CB GLN A 70 29.493 -9.516 -7.193 1.00 0.00 C ATOM 1070 CG GLN A 70 30.635 -8.875 -6.426 1.00 0.00 C ATOM 1071 CD GLN A 70 30.188 -8.146 -5.168 1.00 0.00 C ATOM 1072 OE1 GLN A 70 29.196 -8.506 -4.533 1.00 0.00 O ATOM 1073 NE2 GLN A 70 30.925 -7.112 -4.799 1.00 0.00 N ATOM 0 H GLN A 70 28.261 -11.023 -8.697 1.00 0.00 H new ATOM 0 HA GLN A 70 30.209 -11.464 -6.603 1.00 0.00 H new ATOM 0 HB2 GLN A 70 29.690 -9.423 -8.261 1.00 0.00 H new ATOM 0 HB3 GLN A 70 28.577 -8.962 -6.988 1.00 0.00 H new ATOM 0 HG2 GLN A 70 31.356 -9.645 -6.153 1.00 0.00 H new ATOM 0 HG3 GLN A 70 31.152 -8.172 -7.080 1.00 0.00 H new ATOM 0 HE21 GLN A 70 31.740 -6.844 -5.351 1.00 0.00 H new ATOM 0 HE22 GLN A 70 30.679 -6.583 -3.963 1.00 0.00 H new ATOM 1082 N LEU A 71 27.053 -10.885 -5.886 1.00 0.00 N ATOM 1083 CA LEU A 71 26.072 -10.833 -4.803 1.00 0.00 C ATOM 1084 C LEU A 71 25.603 -12.223 -4.367 1.00 0.00 C ATOM 1085 O LEU A 71 25.307 -12.439 -3.195 1.00 0.00 O ATOM 1086 CB LEU A 71 24.865 -9.997 -5.240 1.00 0.00 C ATOM 1087 CG LEU A 71 23.842 -9.697 -4.144 1.00 0.00 C ATOM 1088 CD1 LEU A 71 24.474 -8.871 -3.035 1.00 0.00 C ATOM 1089 CD2 LEU A 71 22.640 -8.972 -4.730 1.00 0.00 C ATOM 0 H LEU A 71 26.662 -10.728 -6.815 1.00 0.00 H new ATOM 0 HA LEU A 71 26.562 -10.372 -3.945 1.00 0.00 H new ATOM 0 HB2 LEU A 71 25.227 -9.052 -5.644 1.00 0.00 H new ATOM 0 HB3 LEU A 71 24.359 -10.518 -6.053 1.00 0.00 H new ATOM 0 HG LEU A 71 23.504 -10.641 -3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 71 23.731 -8.667 -2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 71 25.307 -9.423 -2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 71 24.838 -7.929 -3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 71 21.919 -8.764 -3.939 1.00 0.00 H new ATOM 0 HD22 LEU A 71 22.965 -8.034 -5.180 1.00 0.00 H new ATOM 0 HD23 LEU A 71 22.173 -9.597 -5.491 1.00 0.00 H new ATOM 1101 N LYS A 72 25.547 -13.157 -5.307 1.00 0.00 N ATOM 1102 CA LYS A 72 24.925 -14.463 -5.068 1.00 0.00 C ATOM 1103 C LYS A 72 25.857 -15.433 -4.321 1.00 0.00 C ATOM 1104 O LYS A 72 25.519 -16.601 -4.122 1.00 0.00 O ATOM 1105 CB LYS A 72 24.481 -15.074 -6.402 1.00 0.00 C ATOM 1106 CG LYS A 72 23.465 -16.196 -6.266 1.00 0.00 C ATOM 1107 CD LYS A 72 23.042 -16.736 -7.623 1.00 0.00 C ATOM 1108 CE LYS A 72 22.014 -17.844 -7.478 1.00 0.00 C ATOM 1109 NZ LYS A 72 21.627 -18.427 -8.790 1.00 0.00 N ATOM 0 H LYS A 72 25.925 -13.039 -6.247 1.00 0.00 H new ATOM 0 HA LYS A 72 24.058 -14.301 -4.427 1.00 0.00 H new ATOM 0 HB2 LYS A 72 24.056 -14.287 -7.025 1.00 0.00 H new ATOM 0 HB3 LYS A 72 25.359 -15.455 -6.924 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.891 -17.003 -5.669 1.00 0.00 H new ATOM 0 HG3 LYS A 72 22.589 -15.831 -5.730 1.00 0.00 H new ATOM 0 HD2 LYS A 72 22.627 -15.928 -8.225 1.00 0.00 H new ATOM 0 HD3 LYS A 72 23.915 -17.114 -8.155 1.00 0.00 H new ATOM 0 HE2 LYS A 72 22.417 -18.629 -6.838 1.00 0.00 H new ATOM 0 HE3 LYS A 72 21.127 -17.451 -6.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 20.924 -19.179 -8.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 21.218 -17.685 -9.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 22.468 -18.826 -9.254 1.00 0.00 H new