USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=9 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 11 LYS NZ :NH3+ -110:sc= 0.905 (180deg=0) USER MOD Set 1.2: A 47 TYR OH : rot 165:sc= 0.794 USER MOD Single : A 7 SER OG : rot 40:sc= 0.134 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.754 K(o=0.75,f=0) USER MOD Single : A 21 SER OG : rot -94:sc= 1.18 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0.0492 K(o=0.049,f=-7.3!) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 1.17 K(o=1.2,f=-0.041) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.0361 X(o=-0.036,f=-0.072) USER MOD Single : A 72 LYS NZ :NH3+ 152:sc= -2.68! (180deg=-4.52!) USER MOD ----------------------------------------------------------------- ATOM 105 N SER A 7 5.514 3.987 0.383 1.00 0.00 N ATOM 106 CA SER A 7 6.593 3.732 1.329 1.00 0.00 C ATOM 107 C SER A 7 7.139 2.313 1.163 1.00 0.00 C ATOM 108 O SER A 7 6.514 1.473 0.512 1.00 0.00 O ATOM 109 CB SER A 7 6.077 3.936 2.754 1.00 0.00 C ATOM 110 OG SER A 7 5.507 5.225 2.905 1.00 0.00 O ATOM 0 HA SER A 7 7.406 4.431 1.132 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.333 3.175 2.988 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.895 3.810 3.463 1.00 0.00 H new ATOM 0 HG SER A 7 5.001 5.455 2.098 1.00 0.00 H new ATOM 116 N GLU A 8 8.302 2.047 1.756 1.00 0.00 N ATOM 117 CA GLU A 8 8.922 0.722 1.678 1.00 0.00 C ATOM 118 C GLU A 8 7.993 -0.343 2.245 1.00 0.00 C ATOM 119 O GLU A 8 7.946 -1.463 1.745 1.00 0.00 O ATOM 120 CB GLU A 8 10.256 0.670 2.433 1.00 0.00 C ATOM 121 CG GLU A 8 11.324 1.610 1.901 1.00 0.00 C ATOM 122 CD GLU A 8 11.078 3.049 2.286 1.00 0.00 C ATOM 123 OE1 GLU A 8 11.154 3.366 3.494 1.00 0.00 O ATOM 124 OE2 GLU A 8 10.786 3.871 1.393 1.00 0.00 O ATOM 0 H GLU A 8 8.835 2.729 2.295 1.00 0.00 H new ATOM 0 HA GLU A 8 9.110 0.525 0.623 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.074 0.905 3.482 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.639 -0.350 2.397 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.298 1.298 2.279 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.364 1.531 0.815 1.00 0.00 H new ATOM 131 N GLU A 9 7.246 0.022 3.280 1.00 0.00 N ATOM 132 CA GLU A 9 6.307 -0.882 3.914 1.00 0.00 C ATOM 133 C GLU A 9 5.214 -1.322 2.947 1.00 0.00 C ATOM 134 O GLU A 9 4.707 -2.436 3.041 1.00 0.00 O ATOM 135 CB GLU A 9 5.696 -0.204 5.132 1.00 0.00 C ATOM 136 CG GLU A 9 6.655 -0.087 6.301 1.00 0.00 C ATOM 137 CD GLU A 9 7.212 -1.432 6.712 1.00 0.00 C ATOM 138 OE1 GLU A 9 6.497 -2.192 7.402 1.00 0.00 O ATOM 139 OE2 GLU A 9 8.357 -1.749 6.330 1.00 0.00 O ATOM 0 H GLU A 9 7.277 0.951 3.699 1.00 0.00 H new ATOM 0 HA GLU A 9 6.846 -1.777 4.225 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.354 0.792 4.851 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.817 -0.765 5.448 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.475 0.579 6.032 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.141 0.367 7.148 1.00 0.00 H new ATOM 146 N PHE A 10 4.866 -0.456 2.008 1.00 0.00 N ATOM 147 CA PHE A 10 3.856 -0.785 1.014 1.00 0.00 C ATOM 148 C PHE A 10 4.430 -1.773 0.004 1.00 0.00 C ATOM 149 O PHE A 10 3.740 -2.672 -0.470 1.00 0.00 O ATOM 150 CB PHE A 10 3.374 0.489 0.314 1.00 0.00 C ATOM 151 CG PHE A 10 2.199 0.277 -0.602 1.00 0.00 C ATOM 152 CD1 PHE A 10 0.926 0.088 -0.085 1.00 0.00 C ATOM 153 CD2 PHE A 10 2.365 0.271 -1.978 1.00 0.00 C ATOM 154 CE1 PHE A 10 -0.158 -0.101 -0.921 1.00 0.00 C ATOM 155 CE2 PHE A 10 1.284 0.079 -2.819 1.00 0.00 C ATOM 156 CZ PHE A 10 0.022 -0.106 -2.290 1.00 0.00 C ATOM 0 H PHE A 10 5.267 0.477 1.913 1.00 0.00 H new ATOM 0 HA PHE A 10 3.002 -1.249 1.507 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.104 1.227 1.070 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.199 0.909 -0.261 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.780 0.089 0.985 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.349 0.418 -2.398 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.144 -0.245 -0.504 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.427 0.074 -3.889 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.823 -0.254 -2.946 1.00 0.00 H new ATOM 166 N LYS A 11 5.714 -1.617 -0.286 1.00 0.00 N ATOM 167 CA LYS A 11 6.404 -2.495 -1.220 1.00 0.00 C ATOM 168 C LYS A 11 6.671 -3.851 -0.574 1.00 0.00 C ATOM 169 O LYS A 11 6.492 -4.894 -1.201 1.00 0.00 O ATOM 170 CB LYS A 11 7.721 -1.855 -1.669 1.00 0.00 C ATOM 171 CG LYS A 11 7.557 -0.450 -2.227 1.00 0.00 C ATOM 172 CD LYS A 11 8.901 0.164 -2.576 1.00 0.00 C ATOM 173 CE LYS A 11 8.762 1.615 -3.001 1.00 0.00 C ATOM 174 NZ LYS A 11 10.082 2.256 -3.262 1.00 0.00 N ATOM 0 H LYS A 11 6.302 -0.886 0.115 1.00 0.00 H new ATOM 0 HA LYS A 11 5.769 -2.645 -2.093 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.407 -1.823 -0.822 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.182 -2.487 -2.428 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.927 -0.480 -3.116 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.047 0.177 -1.496 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.565 0.099 -1.714 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.365 -0.408 -3.380 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.149 1.671 -3.901 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.238 2.171 -2.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.281 2.955 -2.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.826 1.530 -3.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.060 2.731 -4.187 1.00 0.00 H new ATOM 188 N ARG A 12 7.088 -3.832 0.690 1.00 0.00 N ATOM 189 CA ARG A 12 7.370 -5.066 1.418 1.00 0.00 C ATOM 190 C ARG A 12 6.073 -5.816 1.713 1.00 0.00 C ATOM 191 O ARG A 12 6.075 -7.034 1.903 1.00 0.00 O ATOM 192 CB ARG A 12 8.156 -4.779 2.717 1.00 0.00 C ATOM 193 CG ARG A 12 7.384 -4.023 3.792 1.00 0.00 C ATOM 194 CD ARG A 12 6.617 -4.961 4.715 1.00 0.00 C ATOM 195 NE ARG A 12 5.794 -4.230 5.678 1.00 0.00 N ATOM 196 CZ ARG A 12 4.486 -4.425 5.843 1.00 0.00 C ATOM 197 NH1 ARG A 12 3.858 -5.370 5.149 1.00 0.00 N ATOM 198 NH2 ARG A 12 3.818 -3.685 6.719 1.00 0.00 N ATOM 0 H ARG A 12 7.238 -2.979 1.229 1.00 0.00 H new ATOM 0 HA ARG A 12 7.996 -5.699 0.790 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.494 -5.727 3.135 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.048 -4.207 2.463 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.078 -3.423 4.381 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.687 -3.332 3.318 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.982 -5.617 4.119 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.321 -5.599 5.250 1.00 0.00 H new ATOM 0 HE ARG A 12 6.250 -3.527 6.260 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.378 -5.948 4.488 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.857 -5.517 5.278 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.306 -2.972 7.261 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.817 -3.829 6.850 1.00 0.00 H new ATOM 212 N ASP A 13 4.965 -5.082 1.740 1.00 0.00 N ATOM 213 CA ASP A 13 3.656 -5.681 1.966 1.00 0.00 C ATOM 214 C ASP A 13 3.263 -6.509 0.754 1.00 0.00 C ATOM 215 O ASP A 13 2.733 -7.609 0.887 1.00 0.00 O ATOM 216 CB ASP A 13 2.607 -4.596 2.229 1.00 0.00 C ATOM 217 CG ASP A 13 1.320 -5.161 2.801 1.00 0.00 C ATOM 218 OD1 ASP A 13 1.355 -5.702 3.926 1.00 0.00 O ATOM 219 OD2 ASP A 13 0.267 -5.040 2.142 1.00 0.00 O ATOM 0 H ASP A 13 4.949 -4.071 1.608 1.00 0.00 H new ATOM 0 HA ASP A 13 3.707 -6.326 2.843 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.016 -3.859 2.921 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.389 -4.073 1.298 1.00 0.00 H new ATOM 224 N ALA A 14 3.556 -5.973 -0.431 1.00 0.00 N ATOM 225 CA ALA A 14 3.326 -6.687 -1.681 1.00 0.00 C ATOM 226 C ALA A 14 4.137 -7.977 -1.729 1.00 0.00 C ATOM 227 O ALA A 14 3.666 -9.001 -2.225 1.00 0.00 O ATOM 228 CB ALA A 14 3.681 -5.803 -2.866 1.00 0.00 C ATOM 0 H ALA A 14 3.955 -5.042 -0.548 1.00 0.00 H new ATOM 0 HA ALA A 14 2.268 -6.945 -1.734 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.504 -6.349 -3.793 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.062 -4.906 -2.849 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.732 -5.519 -2.806 1.00 0.00 H new ATOM 234 N VAL A 15 5.364 -7.914 -1.216 1.00 0.00 N ATOM 235 CA VAL A 15 6.229 -9.092 -1.137 1.00 0.00 C ATOM 236 C VAL A 15 5.600 -10.163 -0.246 1.00 0.00 C ATOM 237 O VAL A 15 5.550 -11.339 -0.610 1.00 0.00 O ATOM 238 CB VAL A 15 7.634 -8.734 -0.597 1.00 0.00 C ATOM 239 CG1 VAL A 15 8.532 -9.962 -0.567 1.00 0.00 C ATOM 240 CG2 VAL A 15 8.264 -7.631 -1.430 1.00 0.00 C ATOM 0 H VAL A 15 5.783 -7.060 -0.848 1.00 0.00 H new ATOM 0 HA VAL A 15 6.338 -9.479 -2.150 1.00 0.00 H new ATOM 0 HB VAL A 15 7.521 -8.371 0.424 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.514 -9.685 -0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.090 -10.720 0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.636 -10.362 -1.576 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.251 -7.394 -1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.358 -7.964 -2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.635 -6.742 -1.392 1.00 0.00 H new ATOM 250 N ALA A 16 5.102 -9.743 0.911 1.00 0.00 N ATOM 251 CA ALA A 16 4.452 -10.655 1.847 1.00 0.00 C ATOM 252 C ALA A 16 3.167 -11.220 1.251 1.00 0.00 C ATOM 253 O ALA A 16 2.779 -12.355 1.545 1.00 0.00 O ATOM 254 CB ALA A 16 4.161 -9.947 3.163 1.00 0.00 C ATOM 0 H ALA A 16 5.136 -8.773 1.225 1.00 0.00 H new ATOM 0 HA ALA A 16 5.131 -11.485 2.041 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.676 -10.641 3.850 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.095 -9.595 3.601 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.503 -9.097 2.981 1.00 0.00 H new ATOM 260 N LEU A 17 2.514 -10.424 0.414 1.00 0.00 N ATOM 261 CA LEU A 17 1.296 -10.852 -0.262 1.00 0.00 C ATOM 262 C LEU A 17 1.584 -11.959 -1.271 1.00 0.00 C ATOM 263 O LEU A 17 0.769 -12.858 -1.457 1.00 0.00 O ATOM 264 CB LEU A 17 0.620 -9.666 -0.956 1.00 0.00 C ATOM 265 CG LEU A 17 -0.053 -8.666 -0.015 1.00 0.00 C ATOM 266 CD1 LEU A 17 -0.500 -7.427 -0.776 1.00 0.00 C ATOM 267 CD2 LEU A 17 -1.237 -9.311 0.692 1.00 0.00 C ATOM 0 H LEU A 17 2.809 -9.475 0.186 1.00 0.00 H new ATOM 0 HA LEU A 17 0.619 -11.250 0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.366 -9.138 -1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.128 -10.049 -1.651 1.00 0.00 H new ATOM 0 HG LEU A 17 0.676 -8.362 0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.976 -6.729 -0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.366 -6.950 -1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.210 -7.713 -1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.703 -8.584 1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.965 -9.645 -0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.892 -10.166 1.273 1.00 0.00 H new ATOM 279 N TYR A 18 2.756 -11.903 -1.898 1.00 0.00 N ATOM 280 CA TYR A 18 3.148 -12.913 -2.875 1.00 0.00 C ATOM 281 C TYR A 18 3.432 -14.246 -2.186 1.00 0.00 C ATOM 282 O TYR A 18 3.311 -15.313 -2.792 1.00 0.00 O ATOM 283 CB TYR A 18 4.372 -12.449 -3.671 1.00 0.00 C ATOM 284 CG TYR A 18 4.747 -13.388 -4.799 1.00 0.00 C ATOM 285 CD1 TYR A 18 3.919 -13.541 -5.904 1.00 0.00 C ATOM 286 CD2 TYR A 18 5.917 -14.136 -4.749 1.00 0.00 C ATOM 287 CE1 TYR A 18 4.250 -14.406 -6.930 1.00 0.00 C ATOM 288 CE2 TYR A 18 6.253 -15.006 -5.771 1.00 0.00 C ATOM 289 CZ TYR A 18 5.416 -15.137 -6.858 1.00 0.00 C ATOM 290 OH TYR A 18 5.746 -16.005 -7.874 1.00 0.00 O ATOM 0 H TYR A 18 3.449 -11.170 -1.747 1.00 0.00 H new ATOM 0 HA TYR A 18 2.320 -13.054 -3.570 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.175 -11.459 -4.083 1.00 0.00 H new ATOM 0 HB3 TYR A 18 5.220 -12.349 -2.994 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.001 -12.975 -5.962 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.575 -14.037 -3.898 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.598 -14.509 -7.785 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.167 -15.580 -5.717 1.00 0.00 H new ATOM 0 HH TYR A 18 6.599 -16.441 -7.668 1.00 0.00 H new ATOM 300 N GLU A 19 3.799 -14.182 -0.913 1.00 0.00 N ATOM 301 CA GLU A 19 3.998 -15.387 -0.110 1.00 0.00 C ATOM 302 C GLU A 19 2.660 -16.040 0.211 1.00 0.00 C ATOM 303 O GLU A 19 2.587 -17.221 0.551 1.00 0.00 O ATOM 304 CB GLU A 19 4.751 -15.057 1.182 1.00 0.00 C ATOM 305 CG GLU A 19 6.258 -14.989 1.001 1.00 0.00 C ATOM 306 CD GLU A 19 6.846 -16.334 0.628 1.00 0.00 C ATOM 307 OE1 GLU A 19 7.195 -17.110 1.545 1.00 0.00 O ATOM 308 OE2 GLU A 19 6.949 -16.629 -0.579 1.00 0.00 O ATOM 0 H GLU A 19 3.966 -13.309 -0.412 1.00 0.00 H new ATOM 0 HA GLU A 19 4.598 -16.088 -0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.395 -14.101 1.567 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.516 -15.811 1.933 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.498 -14.261 0.226 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.718 -14.635 1.924 1.00 0.00 H new ATOM 315 N ASN A 20 1.602 -15.263 0.085 1.00 0.00 N ATOM 316 CA ASN A 20 0.262 -15.749 0.339 1.00 0.00 C ATOM 317 C ASN A 20 -0.518 -15.810 -0.965 1.00 0.00 C ATOM 318 O ASN A 20 -1.740 -15.649 -0.986 1.00 0.00 O ATOM 319 CB ASN A 20 -0.439 -14.839 1.341 1.00 0.00 C ATOM 320 CG ASN A 20 0.132 -14.971 2.742 1.00 0.00 C ATOM 321 OD1 ASN A 20 -0.303 -15.812 3.528 1.00 0.00 O ATOM 322 ND2 ASN A 20 1.116 -14.143 3.066 1.00 0.00 N ATOM 0 H ASN A 20 1.647 -14.283 -0.195 1.00 0.00 H new ATOM 0 HA ASN A 20 0.315 -16.752 0.761 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.350 -13.804 1.012 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.503 -15.077 1.361 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.538 -14.191 3.993 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.451 -13.458 2.388 1.00 0.00 H new ATOM 329 N SER A 21 0.207 -16.079 -2.046 1.00 0.00 N ATOM 330 CA SER A 21 -0.360 -16.125 -3.389 1.00 0.00 C ATOM 331 C SER A 21 -1.336 -17.284 -3.557 1.00 0.00 C ATOM 332 O SER A 21 -2.107 -17.327 -4.518 1.00 0.00 O ATOM 333 CB SER A 21 0.767 -16.238 -4.408 1.00 0.00 C ATOM 334 OG SER A 21 1.732 -17.191 -3.990 1.00 0.00 O ATOM 0 H SER A 21 1.208 -16.272 -2.015 1.00 0.00 H new ATOM 0 HA SER A 21 -0.920 -15.204 -3.552 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.360 -16.527 -5.377 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.243 -15.266 -4.540 1.00 0.00 H new ATOM 0 HG SER A 21 2.452 -16.736 -3.505 1.00 0.00 H new ATOM 340 N ASP A 22 -1.293 -18.213 -2.612 1.00 0.00 N ATOM 341 CA ASP A 22 -2.188 -19.372 -2.601 1.00 0.00 C ATOM 342 C ASP A 22 -3.649 -18.937 -2.690 1.00 0.00 C ATOM 343 O ASP A 22 -4.487 -19.641 -3.253 1.00 0.00 O ATOM 344 CB ASP A 22 -1.960 -20.199 -1.331 1.00 0.00 C ATOM 345 CG ASP A 22 -2.761 -21.487 -1.316 1.00 0.00 C ATOM 346 OD1 ASP A 22 -2.345 -22.460 -1.987 1.00 0.00 O ATOM 347 OD2 ASP A 22 -3.794 -21.540 -0.615 1.00 0.00 O ATOM 0 H ASP A 22 -0.639 -18.189 -1.830 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.963 -19.986 -3.473 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.900 -20.435 -1.242 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.227 -19.600 -0.460 1.00 0.00 H new ATOM 352 N GLY A 23 -3.939 -17.764 -2.142 1.00 0.00 N ATOM 353 CA GLY A 23 -5.283 -17.220 -2.212 1.00 0.00 C ATOM 354 C GLY A 23 -5.318 -15.858 -2.882 1.00 0.00 C ATOM 355 O GLY A 23 -6.322 -15.145 -2.807 1.00 0.00 O ATOM 0 H GLY A 23 -3.266 -17.177 -1.649 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.924 -17.910 -2.762 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.693 -17.138 -1.205 1.00 0.00 H new ATOM 359 N ALA A 24 -4.219 -15.497 -3.542 1.00 0.00 N ATOM 360 CA ALA A 24 -4.101 -14.195 -4.192 1.00 0.00 C ATOM 361 C ALA A 24 -2.882 -14.151 -5.108 1.00 0.00 C ATOM 362 O ALA A 24 -1.764 -13.887 -4.665 1.00 0.00 O ATOM 363 CB ALA A 24 -4.023 -13.087 -3.153 1.00 0.00 C ATOM 0 H ALA A 24 -3.396 -16.091 -3.640 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.991 -14.040 -4.802 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.935 -12.123 -3.655 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.925 -13.097 -2.542 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.152 -13.245 -2.517 1.00 0.00 H new ATOM 369 N SER A 25 -3.104 -14.425 -6.383 1.00 0.00 N ATOM 370 CA SER A 25 -2.029 -14.452 -7.365 1.00 0.00 C ATOM 371 C SER A 25 -1.527 -13.042 -7.686 1.00 0.00 C ATOM 372 O SER A 25 -2.061 -12.051 -7.185 1.00 0.00 O ATOM 373 CB SER A 25 -2.514 -15.142 -8.638 1.00 0.00 C ATOM 374 OG SER A 25 -3.044 -16.421 -8.343 1.00 0.00 O ATOM 0 H SER A 25 -4.026 -14.634 -6.766 1.00 0.00 H new ATOM 0 HA SER A 25 -1.195 -15.011 -6.942 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.275 -14.530 -9.122 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.688 -15.239 -9.342 1.00 0.00 H new ATOM 0 HG SER A 25 -3.351 -16.847 -9.171 1.00 0.00 H new ATOM 380 N LEU A 26 -0.511 -12.963 -8.547 1.00 0.00 N ATOM 381 CA LEU A 26 0.135 -11.693 -8.893 1.00 0.00 C ATOM 382 C LEU A 26 -0.895 -10.655 -9.349 1.00 0.00 C ATOM 383 O LEU A 26 -0.940 -9.539 -8.828 1.00 0.00 O ATOM 384 CB LEU A 26 1.181 -11.938 -9.996 1.00 0.00 C ATOM 385 CG LEU A 26 2.332 -10.923 -10.088 1.00 0.00 C ATOM 386 CD1 LEU A 26 1.843 -9.564 -10.558 1.00 0.00 C ATOM 387 CD2 LEU A 26 3.036 -10.797 -8.747 1.00 0.00 C ATOM 0 H LEU A 26 -0.113 -13.773 -9.023 1.00 0.00 H new ATOM 0 HA LEU A 26 0.629 -11.297 -8.006 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.611 -12.928 -9.845 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.666 -11.957 -10.956 1.00 0.00 H new ATOM 0 HG LEU A 26 3.042 -11.294 -10.827 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.684 -8.873 -10.611 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.391 -9.661 -11.545 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.102 -9.181 -9.856 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.848 -10.075 -8.829 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.325 -10.459 -7.993 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.441 -11.766 -8.456 1.00 0.00 H new ATOM 399 N GLN A 27 -1.737 -11.030 -10.307 1.00 0.00 N ATOM 400 CA GLN A 27 -2.739 -10.108 -10.837 1.00 0.00 C ATOM 401 C GLN A 27 -3.776 -9.758 -9.772 1.00 0.00 C ATOM 402 O GLN A 27 -4.299 -8.645 -9.743 1.00 0.00 O ATOM 403 CB GLN A 27 -3.435 -10.706 -12.064 1.00 0.00 C ATOM 404 CG GLN A 27 -4.444 -9.767 -12.713 1.00 0.00 C ATOM 405 CD GLN A 27 -3.818 -8.471 -13.201 1.00 0.00 C ATOM 406 OE1 GLN A 27 -3.347 -8.384 -14.333 1.00 0.00 O ATOM 407 NE2 GLN A 27 -3.813 -7.457 -12.351 1.00 0.00 N ATOM 0 H GLN A 27 -1.747 -11.958 -10.730 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.223 -9.195 -11.136 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.680 -10.980 -12.801 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.943 -11.625 -11.771 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.917 -10.275 -13.553 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.232 -9.536 -11.996 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.214 -7.570 -11.420 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.408 -6.562 -12.627 1.00 0.00 H new ATOM 416 N GLN A 28 -4.055 -10.714 -8.897 1.00 0.00 N ATOM 417 CA GLN A 28 -5.043 -10.531 -7.839 1.00 0.00 C ATOM 418 C GLN A 28 -4.581 -9.430 -6.885 1.00 0.00 C ATOM 419 O GLN A 28 -5.354 -8.541 -6.520 1.00 0.00 O ATOM 420 CB GLN A 28 -5.241 -11.854 -7.087 1.00 0.00 C ATOM 421 CG GLN A 28 -6.673 -12.125 -6.649 1.00 0.00 C ATOM 422 CD GLN A 28 -7.128 -11.274 -5.480 1.00 0.00 C ATOM 423 OE1 GLN A 28 -6.331 -10.884 -4.627 1.00 0.00 O ATOM 424 NE2 GLN A 28 -8.415 -10.982 -5.434 1.00 0.00 N ATOM 0 H GLN A 28 -3.608 -11.631 -8.898 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.996 -10.232 -8.275 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.909 -12.673 -7.725 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.599 -11.856 -6.206 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.340 -11.952 -7.493 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.767 -13.177 -6.379 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.042 -11.325 -6.161 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.782 -10.413 -4.671 1.00 0.00 H new ATOM 433 N ILE A 29 -3.304 -9.486 -6.515 1.00 0.00 N ATOM 434 CA ILE A 29 -2.703 -8.487 -5.637 1.00 0.00 C ATOM 435 C ILE A 29 -2.661 -7.120 -6.315 1.00 0.00 C ATOM 436 O ILE A 29 -3.127 -6.125 -5.758 1.00 0.00 O ATOM 437 CB ILE A 29 -1.271 -8.904 -5.226 1.00 0.00 C ATOM 438 CG1 ILE A 29 -1.298 -10.238 -4.478 1.00 0.00 C ATOM 439 CG2 ILE A 29 -0.607 -7.828 -4.373 1.00 0.00 C ATOM 440 CD1 ILE A 29 -2.116 -10.202 -3.205 1.00 0.00 C ATOM 0 H ILE A 29 -2.661 -10.220 -6.813 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.323 -8.420 -4.743 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.681 -9.024 -6.135 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.701 -11.007 -5.137 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.276 -10.530 -4.235 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.398 -8.149 -4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.549 -6.899 -4.940 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.195 -7.666 -3.469 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.090 -11.182 -2.728 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.701 -9.457 -2.526 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.147 -9.941 -3.443 1.00 0.00 H new ATOM 452 N ALA A 30 -2.117 -7.081 -7.527 1.00 0.00 N ATOM 453 CA ALA A 30 -1.983 -5.834 -8.277 1.00 0.00 C ATOM 454 C ALA A 30 -3.336 -5.166 -8.498 1.00 0.00 C ATOM 455 O ALA A 30 -3.445 -3.939 -8.505 1.00 0.00 O ATOM 456 CB ALA A 30 -1.313 -6.098 -9.614 1.00 0.00 C ATOM 0 H ALA A 30 -1.760 -7.903 -8.014 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.365 -5.157 -7.688 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.218 -5.162 -10.165 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.323 -6.523 -9.447 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.916 -6.799 -10.191 1.00 0.00 H new ATOM 462 N ASN A 31 -4.363 -5.987 -8.674 1.00 0.00 N ATOM 463 CA ASN A 31 -5.713 -5.505 -8.948 1.00 0.00 C ATOM 464 C ASN A 31 -6.259 -4.728 -7.752 1.00 0.00 C ATOM 465 O ASN A 31 -6.922 -3.700 -7.912 1.00 0.00 O ATOM 466 CB ASN A 31 -6.634 -6.691 -9.266 1.00 0.00 C ATOM 467 CG ASN A 31 -7.799 -6.330 -10.170 1.00 0.00 C ATOM 468 OD1 ASN A 31 -8.286 -5.198 -10.174 1.00 0.00 O ATOM 469 ND2 ASN A 31 -8.251 -7.303 -10.949 1.00 0.00 N ATOM 0 H ASN A 31 -4.286 -7.003 -8.631 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.676 -4.836 -9.808 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.048 -7.479 -9.740 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.022 -7.099 -8.333 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.031 -7.128 -11.583 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.819 -8.226 -10.914 1.00 0.00 H new ATOM 476 N ASP A 32 -5.958 -5.213 -6.552 1.00 0.00 N ATOM 477 CA ASP A 32 -6.450 -4.589 -5.328 1.00 0.00 C ATOM 478 C ASP A 32 -5.664 -3.324 -5.014 1.00 0.00 C ATOM 479 O ASP A 32 -6.237 -2.310 -4.613 1.00 0.00 O ATOM 480 CB ASP A 32 -6.357 -5.559 -4.146 1.00 0.00 C ATOM 481 CG ASP A 32 -7.029 -5.014 -2.904 1.00 0.00 C ATOM 482 OD1 ASP A 32 -8.253 -5.211 -2.752 1.00 0.00 O ATOM 483 OD2 ASP A 32 -6.345 -4.388 -2.069 1.00 0.00 O ATOM 0 H ASP A 32 -5.376 -6.037 -6.400 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.496 -4.326 -5.487 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.818 -6.508 -4.420 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.309 -5.765 -3.929 1.00 0.00 H new ATOM 488 N LEU A 33 -4.352 -3.385 -5.219 1.00 0.00 N ATOM 489 CA LEU A 33 -3.473 -2.255 -4.933 1.00 0.00 C ATOM 490 C LEU A 33 -3.683 -1.124 -5.934 1.00 0.00 C ATOM 491 O LEU A 33 -3.436 0.042 -5.624 1.00 0.00 O ATOM 492 CB LEU A 33 -2.006 -2.698 -4.934 1.00 0.00 C ATOM 493 CG LEU A 33 -1.476 -3.267 -3.611 1.00 0.00 C ATOM 494 CD1 LEU A 33 -2.250 -4.506 -3.187 1.00 0.00 C ATOM 495 CD2 LEU A 33 0.006 -3.583 -3.738 1.00 0.00 C ATOM 0 H LEU A 33 -3.872 -4.208 -5.583 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.726 -1.881 -3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.875 -3.452 -5.710 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.389 -1.844 -5.213 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.616 -2.512 -2.838 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.848 -4.882 -2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.302 -4.251 -3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.156 -5.274 -3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.374 -3.986 -2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.155 -4.318 -4.529 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.553 -2.672 -3.981 1.00 0.00 H new ATOM 507 N GLY A 34 -4.141 -1.472 -7.129 1.00 0.00 N ATOM 508 CA GLY A 34 -4.412 -0.470 -8.138 1.00 0.00 C ATOM 509 C GLY A 34 -3.174 -0.088 -8.909 1.00 0.00 C ATOM 510 O GLY A 34 -2.968 1.085 -9.232 1.00 0.00 O ATOM 0 H GLY A 34 -4.330 -2.432 -7.417 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.166 -0.847 -8.829 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.830 0.417 -7.663 1.00 0.00 H new ATOM 514 N ILE A 35 -2.347 -1.078 -9.195 1.00 0.00 N ATOM 515 CA ILE A 35 -1.129 -0.875 -9.956 1.00 0.00 C ATOM 516 C ILE A 35 -0.979 -1.976 -10.985 1.00 0.00 C ATOM 517 O ILE A 35 -1.525 -3.069 -10.822 1.00 0.00 O ATOM 518 CB ILE A 35 0.121 -0.859 -9.051 1.00 0.00 C ATOM 519 CG1 ILE A 35 0.168 -2.119 -8.181 1.00 0.00 C ATOM 520 CG2 ILE A 35 0.150 0.397 -8.191 1.00 0.00 C ATOM 521 CD1 ILE A 35 1.409 -2.219 -7.320 1.00 0.00 C ATOM 0 H ILE A 35 -2.501 -2.044 -8.906 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.208 0.096 -10.445 1.00 0.00 H new ATOM 0 HB ILE A 35 1.006 -0.850 -9.687 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.712 -2.139 -7.538 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.112 -2.997 -8.825 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.040 0.386 -7.561 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.170 1.277 -8.833 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.739 0.428 -7.562 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.371 -3.136 -6.733 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.294 -2.232 -7.957 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.457 -1.361 -6.650 1.00 0.00 H new ATOM 533 N ASN A 36 -0.256 -1.682 -12.048 1.00 0.00 N ATOM 534 CA ASN A 36 -0.004 -2.664 -13.082 1.00 0.00 C ATOM 535 C ASN A 36 0.858 -3.793 -12.549 1.00 0.00 C ATOM 536 O ASN A 36 1.755 -3.581 -11.729 1.00 0.00 O ATOM 537 CB ASN A 36 0.656 -2.016 -14.291 1.00 0.00 C ATOM 538 CG ASN A 36 -0.294 -1.891 -15.466 1.00 0.00 C ATOM 539 OD1 ASN A 36 -1.023 -0.908 -15.589 1.00 0.00 O ATOM 540 ND2 ASN A 36 -0.298 -2.883 -16.342 1.00 0.00 N ATOM 0 H ASN A 36 0.167 -0.770 -12.217 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.961 -3.080 -13.396 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.022 -1.027 -14.016 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.523 -2.606 -14.589 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.919 -2.847 -17.150 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.320 -3.683 -16.209 1.00 0.00 H new ATOM 547 N ARG A 37 0.594 -4.991 -13.037 1.00 0.00 N ATOM 548 CA ARG A 37 1.224 -6.185 -12.516 1.00 0.00 C ATOM 549 C ARG A 37 2.717 -6.202 -12.814 1.00 0.00 C ATOM 550 O ARG A 37 3.494 -6.823 -12.093 1.00 0.00 O ATOM 551 CB ARG A 37 0.530 -7.417 -13.085 1.00 0.00 C ATOM 552 CG ARG A 37 0.642 -7.587 -14.590 1.00 0.00 C ATOM 553 CD ARG A 37 -0.190 -8.770 -15.057 1.00 0.00 C ATOM 554 NE ARG A 37 -0.109 -8.981 -16.500 1.00 0.00 N ATOM 555 CZ ARG A 37 -1.157 -9.281 -17.265 1.00 0.00 C ATOM 556 NH1 ARG A 37 -2.376 -9.333 -16.736 1.00 0.00 N ATOM 557 NH2 ARG A 37 -0.986 -9.501 -18.564 1.00 0.00 N ATOM 0 H ARG A 37 -0.060 -5.161 -13.801 1.00 0.00 H new ATOM 0 HA ARG A 37 1.119 -6.192 -11.431 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.945 -8.303 -12.604 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.526 -7.375 -12.818 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.306 -6.679 -15.090 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.685 -7.737 -14.868 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.146 -9.671 -14.543 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.231 -8.611 -14.775 1.00 0.00 H new ATOM 0 HE ARG A 37 0.803 -8.893 -16.948 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.509 -9.143 -15.743 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.178 -9.563 -17.323 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.054 -9.440 -18.973 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.787 -9.731 -19.152 1.00 0.00 H new ATOM 571 N VAL A 38 3.111 -5.502 -13.865 1.00 0.00 N ATOM 572 CA VAL A 38 4.522 -5.372 -14.203 1.00 0.00 C ATOM 573 C VAL A 38 5.261 -4.595 -13.113 1.00 0.00 C ATOM 574 O VAL A 38 6.341 -4.992 -12.680 1.00 0.00 O ATOM 575 CB VAL A 38 4.722 -4.666 -15.564 1.00 0.00 C ATOM 576 CG1 VAL A 38 6.201 -4.537 -15.906 1.00 0.00 C ATOM 577 CG2 VAL A 38 3.988 -5.409 -16.668 1.00 0.00 C ATOM 0 H VAL A 38 2.477 -5.015 -14.499 1.00 0.00 H new ATOM 0 HA VAL A 38 4.932 -6.379 -14.277 1.00 0.00 H new ATOM 0 HB VAL A 38 4.304 -3.663 -15.482 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.310 -4.037 -16.868 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.703 -3.953 -15.135 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.650 -5.529 -15.960 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.142 -4.895 -17.617 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.372 -6.426 -16.740 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.922 -5.439 -16.440 1.00 0.00 H new ATOM 587 N THR A 39 4.661 -3.499 -12.664 1.00 0.00 N ATOM 588 CA THR A 39 5.258 -2.670 -11.626 1.00 0.00 C ATOM 589 C THR A 39 5.322 -3.425 -10.297 1.00 0.00 C ATOM 590 O THR A 39 6.315 -3.344 -9.570 1.00 0.00 O ATOM 591 CB THR A 39 4.451 -1.367 -11.447 1.00 0.00 C ATOM 592 OG1 THR A 39 4.201 -0.777 -12.729 1.00 0.00 O ATOM 593 CG2 THR A 39 5.198 -0.375 -10.572 1.00 0.00 C ATOM 0 H THR A 39 3.760 -3.164 -13.004 1.00 0.00 H new ATOM 0 HA THR A 39 6.273 -2.421 -11.936 1.00 0.00 H new ATOM 0 HB THR A 39 3.508 -1.614 -10.959 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.687 0.049 -12.614 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.605 0.533 -10.464 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.371 -0.815 -9.590 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.155 -0.131 -11.034 1.00 0.00 H new ATOM 601 N LEU A 40 4.263 -4.175 -10.003 1.00 0.00 N ATOM 602 CA LEU A 40 4.196 -4.977 -8.785 1.00 0.00 C ATOM 603 C LEU A 40 5.294 -6.037 -8.774 1.00 0.00 C ATOM 604 O LEU A 40 6.000 -6.204 -7.779 1.00 0.00 O ATOM 605 CB LEU A 40 2.828 -5.653 -8.671 1.00 0.00 C ATOM 606 CG LEU A 40 2.630 -6.494 -7.409 1.00 0.00 C ATOM 607 CD1 LEU A 40 2.546 -5.602 -6.180 1.00 0.00 C ATOM 608 CD2 LEU A 40 1.386 -7.354 -7.530 1.00 0.00 C ATOM 0 H LEU A 40 3.435 -4.244 -10.595 1.00 0.00 H new ATOM 0 HA LEU A 40 4.342 -4.313 -7.933 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.055 -4.885 -8.703 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.680 -6.291 -9.542 1.00 0.00 H new ATOM 0 HG LEU A 40 3.492 -7.152 -7.297 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.405 -6.218 -5.292 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.469 -5.030 -6.082 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.704 -4.918 -6.284 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.262 -7.945 -6.622 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.514 -6.715 -7.669 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.487 -8.021 -8.386 1.00 0.00 H new ATOM 620 N LYS A 41 5.428 -6.746 -9.896 1.00 0.00 N ATOM 621 CA LYS A 41 6.422 -7.805 -10.044 1.00 0.00 C ATOM 622 C LYS A 41 7.821 -7.265 -9.767 1.00 0.00 C ATOM 623 O LYS A 41 8.641 -7.923 -9.128 1.00 0.00 O ATOM 624 CB LYS A 41 6.347 -8.382 -11.461 1.00 0.00 C ATOM 625 CG LYS A 41 6.988 -9.755 -11.615 1.00 0.00 C ATOM 626 CD LYS A 41 6.817 -10.293 -13.030 1.00 0.00 C ATOM 627 CE LYS A 41 7.291 -11.736 -13.148 1.00 0.00 C ATOM 628 NZ LYS A 41 7.122 -12.265 -14.529 1.00 0.00 N ATOM 0 H LYS A 41 4.851 -6.601 -10.725 1.00 0.00 H new ATOM 0 HA LYS A 41 6.211 -8.595 -9.323 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.301 -8.447 -11.759 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.831 -7.689 -12.149 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.049 -9.692 -11.374 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.540 -10.449 -10.904 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.768 -10.230 -13.318 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.377 -9.669 -13.726 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.341 -11.798 -12.862 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.733 -12.360 -12.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.456 -13.249 -14.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.117 -12.230 -14.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.675 -11.686 -15.193 1.00 0.00 H new ATOM 642 N ASN A 42 8.064 -6.049 -10.241 1.00 0.00 N ATOM 643 CA ASN A 42 9.343 -5.371 -10.040 1.00 0.00 C ATOM 644 C ASN A 42 9.666 -5.215 -8.556 1.00 0.00 C ATOM 645 O ASN A 42 10.769 -5.549 -8.126 1.00 0.00 O ATOM 646 CB ASN A 42 9.343 -3.998 -10.724 1.00 0.00 C ATOM 647 CG ASN A 42 9.852 -4.053 -12.153 1.00 0.00 C ATOM 648 OD1 ASN A 42 11.042 -3.869 -12.409 1.00 0.00 O ATOM 649 ND2 ASN A 42 8.959 -4.304 -13.099 1.00 0.00 N ATOM 0 H ASN A 42 7.385 -5.505 -10.773 1.00 0.00 H new ATOM 0 HA ASN A 42 10.116 -5.992 -10.493 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.330 -3.595 -10.719 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.963 -3.310 -10.149 1.00 0.00 H new ATOM 0 HD21 ASN A 42 9.250 -4.350 -14.076 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.981 -4.452 -12.851 1.00 0.00 H new ATOM 656 N TRP A 43 8.704 -4.716 -7.779 1.00 0.00 N ATOM 657 CA TRP A 43 8.913 -4.502 -6.344 1.00 0.00 C ATOM 658 C TRP A 43 9.294 -5.799 -5.636 1.00 0.00 C ATOM 659 O TRP A 43 10.246 -5.835 -4.849 1.00 0.00 O ATOM 660 CB TRP A 43 7.657 -3.921 -5.681 1.00 0.00 C ATOM 661 CG TRP A 43 7.414 -2.472 -5.971 1.00 0.00 C ATOM 662 CD1 TRP A 43 8.275 -1.585 -6.555 1.00 0.00 C ATOM 663 CD2 TRP A 43 6.225 -1.736 -5.667 1.00 0.00 C ATOM 664 NE1 TRP A 43 7.685 -0.348 -6.641 1.00 0.00 N ATOM 665 CE2 TRP A 43 6.426 -0.415 -6.103 1.00 0.00 C ATOM 666 CE3 TRP A 43 5.006 -2.072 -5.070 1.00 0.00 C ATOM 667 CZ2 TRP A 43 5.452 0.573 -5.959 1.00 0.00 C ATOM 668 CZ3 TRP A 43 4.041 -1.096 -4.930 1.00 0.00 C ATOM 669 CH2 TRP A 43 4.267 0.215 -5.374 1.00 0.00 C ATOM 0 H TRP A 43 7.777 -4.453 -8.115 1.00 0.00 H new ATOM 0 HA TRP A 43 9.733 -3.790 -6.248 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.790 -4.494 -6.010 1.00 0.00 H new ATOM 0 HB3 TRP A 43 7.737 -4.054 -4.602 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.271 -1.822 -6.898 1.00 0.00 H new ATOM 0 HE1 TRP A 43 8.114 0.486 -7.041 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.823 -3.079 -4.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.626 1.584 -6.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.096 -1.346 -4.471 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.491 0.957 -5.252 1.00 0.00 H new ATOM 680 N ILE A 44 8.553 -6.860 -5.927 1.00 0.00 N ATOM 681 CA ILE A 44 8.765 -8.146 -5.281 1.00 0.00 C ATOM 682 C ILE A 44 10.181 -8.655 -5.527 1.00 0.00 C ATOM 683 O ILE A 44 10.866 -9.080 -4.596 1.00 0.00 O ATOM 684 CB ILE A 44 7.739 -9.191 -5.773 1.00 0.00 C ATOM 685 CG1 ILE A 44 6.313 -8.684 -5.527 1.00 0.00 C ATOM 686 CG2 ILE A 44 7.963 -10.523 -5.066 1.00 0.00 C ATOM 687 CD1 ILE A 44 5.234 -9.618 -6.034 1.00 0.00 C ATOM 0 H ILE A 44 7.796 -6.854 -6.610 1.00 0.00 H new ATOM 0 HA ILE A 44 8.627 -8.000 -4.210 1.00 0.00 H new ATOM 0 HB ILE A 44 7.874 -9.343 -6.844 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.172 -8.529 -4.457 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.195 -7.713 -6.008 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.234 -11.251 -5.422 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.969 -10.884 -5.280 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.847 -10.388 -3.991 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.254 -9.190 -5.823 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.347 -9.754 -7.110 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.324 -10.583 -5.535 1.00 0.00 H new ATOM 699 N ILE A 45 10.629 -8.575 -6.775 1.00 0.00 N ATOM 700 CA ILE A 45 11.958 -9.050 -7.142 1.00 0.00 C ATOM 701 C ILE A 45 13.052 -8.149 -6.560 1.00 0.00 C ATOM 702 O ILE A 45 14.106 -8.631 -6.140 1.00 0.00 O ATOM 703 CB ILE A 45 12.122 -9.131 -8.676 1.00 0.00 C ATOM 704 CG1 ILE A 45 11.048 -10.045 -9.273 1.00 0.00 C ATOM 705 CG2 ILE A 45 13.514 -9.637 -9.046 1.00 0.00 C ATOM 706 CD1 ILE A 45 11.083 -10.129 -10.783 1.00 0.00 C ATOM 0 H ILE A 45 10.091 -8.186 -7.550 1.00 0.00 H new ATOM 0 HA ILE A 45 12.064 -10.050 -6.722 1.00 0.00 H new ATOM 0 HB ILE A 45 12.003 -8.129 -9.089 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.168 -11.047 -8.861 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.067 -9.687 -8.962 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.607 -9.686 -10.131 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.266 -8.956 -8.648 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.664 -10.631 -8.624 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.292 -10.795 -11.129 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.932 -9.136 -11.206 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.050 -10.517 -11.104 1.00 0.00 H new ATOM 718 N LYS A 46 12.792 -6.846 -6.523 1.00 0.00 N ATOM 719 CA LYS A 46 13.770 -5.878 -6.053 1.00 0.00 C ATOM 720 C LYS A 46 14.047 -6.021 -4.558 1.00 0.00 C ATOM 721 O LYS A 46 15.203 -6.017 -4.131 1.00 0.00 O ATOM 722 CB LYS A 46 13.286 -4.455 -6.335 1.00 0.00 C ATOM 723 CG LYS A 46 13.537 -3.969 -7.753 1.00 0.00 C ATOM 724 CD LYS A 46 13.188 -2.494 -7.889 1.00 0.00 C ATOM 725 CE LYS A 46 13.551 -1.952 -9.261 1.00 0.00 C ATOM 726 NZ LYS A 46 13.356 -0.479 -9.334 1.00 0.00 N ATOM 0 H LYS A 46 11.905 -6.437 -6.816 1.00 0.00 H new ATOM 0 HA LYS A 46 14.696 -6.074 -6.593 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.217 -4.402 -6.131 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.777 -3.774 -5.640 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.583 -4.125 -8.016 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.941 -4.554 -8.454 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.121 -2.355 -7.714 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.713 -1.924 -7.123 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.590 -2.194 -9.486 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.939 -2.439 -10.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.613 -0.141 -10.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.359 -0.251 -9.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.959 -0.013 -8.626 1.00 0.00 H new ATOM 740 N TYR A 47 12.992 -6.130 -3.765 1.00 0.00 N ATOM 741 CA TYR A 47 13.137 -6.110 -2.316 1.00 0.00 C ATOM 742 C TYR A 47 13.143 -7.516 -1.718 1.00 0.00 C ATOM 743 O TYR A 47 13.903 -7.799 -0.790 1.00 0.00 O ATOM 744 CB TYR A 47 12.017 -5.269 -1.695 1.00 0.00 C ATOM 745 CG TYR A 47 12.031 -3.825 -2.150 1.00 0.00 C ATOM 746 CD1 TYR A 47 12.806 -2.877 -1.496 1.00 0.00 C ATOM 747 CD2 TYR A 47 11.270 -3.412 -3.236 1.00 0.00 C ATOM 748 CE1 TYR A 47 12.825 -1.558 -1.914 1.00 0.00 C ATOM 749 CE2 TYR A 47 11.283 -2.098 -3.659 1.00 0.00 C ATOM 750 CZ TYR A 47 12.061 -1.175 -2.996 1.00 0.00 C ATOM 751 OH TYR A 47 12.074 0.136 -3.417 1.00 0.00 O ATOM 0 H TYR A 47 12.033 -6.233 -4.096 1.00 0.00 H new ATOM 0 HA TYR A 47 14.103 -5.660 -2.084 1.00 0.00 H new ATOM 0 HB2 TYR A 47 11.055 -5.714 -1.949 1.00 0.00 H new ATOM 0 HB3 TYR A 47 12.107 -5.302 -0.609 1.00 0.00 H new ATOM 0 HD1 TYR A 47 13.404 -3.174 -0.647 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.657 -4.132 -3.759 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.435 -0.833 -1.396 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.686 -1.795 -4.506 1.00 0.00 H new ATOM 0 HH TYR A 47 11.685 0.195 -4.314 1.00 0.00 H new ATOM 761 N GLY A 48 12.326 -8.404 -2.268 1.00 0.00 N ATOM 762 CA GLY A 48 12.203 -9.738 -1.717 1.00 0.00 C ATOM 763 C GLY A 48 13.143 -10.733 -2.368 1.00 0.00 C ATOM 764 O GLY A 48 12.799 -11.900 -2.523 1.00 0.00 O ATOM 0 H GLY A 48 11.746 -8.224 -3.087 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.403 -9.703 -0.646 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.176 -10.083 -1.838 1.00 0.00 H new ATOM 928 N ALA A 61 8.499 -35.410 -7.709 1.00 0.00 N ATOM 929 CA ALA A 61 9.682 -34.576 -7.542 1.00 0.00 C ATOM 930 C ALA A 61 10.577 -35.111 -6.432 1.00 0.00 C ATOM 931 O ALA A 61 11.684 -34.623 -6.216 1.00 0.00 O ATOM 932 CB ALA A 61 9.287 -33.134 -7.270 1.00 0.00 C ATOM 0 HA ALA A 61 10.250 -34.606 -8.472 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.185 -32.528 -7.148 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.702 -32.753 -8.107 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.690 -33.086 -6.359 1.00 0.00 H new ATOM 938 N VAL A 62 10.098 -36.139 -5.751 1.00 0.00 N ATOM 939 CA VAL A 62 10.887 -36.806 -4.723 1.00 0.00 C ATOM 940 C VAL A 62 11.941 -37.682 -5.386 1.00 0.00 C ATOM 941 O VAL A 62 13.087 -37.760 -4.941 1.00 0.00 O ATOM 942 CB VAL A 62 10.003 -37.663 -3.788 1.00 0.00 C ATOM 943 CG1 VAL A 62 10.840 -38.332 -2.712 1.00 0.00 C ATOM 944 CG2 VAL A 62 8.909 -36.812 -3.159 1.00 0.00 C ATOM 0 H VAL A 62 9.167 -36.531 -5.890 1.00 0.00 H new ATOM 0 HA VAL A 62 11.366 -36.041 -4.113 1.00 0.00 H new ATOM 0 HB VAL A 62 9.534 -38.443 -4.388 1.00 0.00 H new ATOM 0 HG11 VAL A 62 10.195 -38.929 -2.068 1.00 0.00 H new ATOM 0 HG12 VAL A 62 11.584 -38.978 -3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 62 11.343 -37.570 -2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.297 -37.432 -2.504 1.00 0.00 H new ATOM 0 HG22 VAL A 62 9.362 -36.008 -2.578 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.284 -36.385 -3.943 1.00 0.00 H new ATOM 954 N SER A 63 11.545 -38.306 -6.483 1.00 0.00 N ATOM 955 CA SER A 63 12.454 -39.108 -7.288 1.00 0.00 C ATOM 956 C SER A 63 13.455 -38.200 -7.998 1.00 0.00 C ATOM 957 O SER A 63 14.588 -38.592 -8.284 1.00 0.00 O ATOM 958 CB SER A 63 11.661 -39.917 -8.315 1.00 0.00 C ATOM 959 OG SER A 63 10.646 -40.693 -7.690 1.00 0.00 O ATOM 0 H SER A 63 10.590 -38.272 -6.840 1.00 0.00 H new ATOM 0 HA SER A 63 12.997 -39.795 -6.638 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.210 -39.242 -9.042 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.336 -40.573 -8.865 1.00 0.00 H new ATOM 0 HG SER A 63 10.154 -41.198 -8.371 1.00 0.00 H new ATOM 965 N GLU A 64 13.014 -36.978 -8.269 1.00 0.00 N ATOM 966 CA GLU A 64 13.854 -35.969 -8.903 1.00 0.00 C ATOM 967 C GLU A 64 14.938 -35.501 -7.933 1.00 0.00 C ATOM 968 O GLU A 64 16.081 -35.258 -8.322 1.00 0.00 O ATOM 969 CB GLU A 64 12.991 -34.780 -9.331 1.00 0.00 C ATOM 970 CG GLU A 64 13.640 -33.877 -10.367 1.00 0.00 C ATOM 971 CD GLU A 64 13.712 -34.527 -11.732 1.00 0.00 C ATOM 972 OE1 GLU A 64 12.660 -34.634 -12.396 1.00 0.00 O ATOM 973 OE2 GLU A 64 14.816 -34.944 -12.145 1.00 0.00 O ATOM 0 H GLU A 64 12.069 -36.659 -8.057 1.00 0.00 H new ATOM 0 HA GLU A 64 14.333 -36.404 -9.781 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.049 -35.155 -9.732 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.748 -34.186 -8.450 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.076 -32.947 -10.439 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.646 -33.615 -10.038 1.00 0.00 H new ATOM 980 N ALA A 65 14.565 -35.430 -6.662 1.00 0.00 N ATOM 981 CA ALA A 65 15.450 -34.960 -5.597 1.00 0.00 C ATOM 982 C ALA A 65 16.682 -35.849 -5.454 1.00 0.00 C ATOM 983 O ALA A 65 17.717 -35.413 -4.946 1.00 0.00 O ATOM 984 CB ALA A 65 14.691 -34.889 -4.281 1.00 0.00 C ATOM 0 H ALA A 65 13.636 -35.697 -6.336 1.00 0.00 H new ATOM 0 HA ALA A 65 15.796 -33.962 -5.866 1.00 0.00 H new ATOM 0 HB1 ALA A 65 15.359 -34.538 -3.494 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.853 -34.199 -4.381 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.316 -35.880 -4.023 1.00 0.00 H new ATOM 990 N GLU A 66 16.557 -37.093 -5.910 1.00 0.00 N ATOM 991 CA GLU A 66 17.633 -38.071 -5.813 1.00 0.00 C ATOM 992 C GLU A 66 18.894 -37.547 -6.492 1.00 0.00 C ATOM 993 O GLU A 66 19.968 -37.504 -5.892 1.00 0.00 O ATOM 994 CB GLU A 66 17.194 -39.379 -6.482 1.00 0.00 C ATOM 995 CG GLU A 66 18.131 -40.553 -6.243 1.00 0.00 C ATOM 996 CD GLU A 66 18.200 -40.969 -4.787 1.00 0.00 C ATOM 997 OE1 GLU A 66 17.274 -40.640 -4.018 1.00 0.00 O ATOM 998 OE2 GLU A 66 19.193 -41.620 -4.395 1.00 0.00 O ATOM 0 H GLU A 66 15.711 -37.448 -6.355 1.00 0.00 H new ATOM 0 HA GLU A 66 17.853 -38.250 -4.761 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.201 -39.643 -6.119 1.00 0.00 H new ATOM 0 HB3 GLU A 66 17.107 -39.212 -7.556 1.00 0.00 H new ATOM 0 HG2 GLU A 66 17.801 -41.402 -6.842 1.00 0.00 H new ATOM 0 HG3 GLU A 66 19.131 -40.289 -6.587 1.00 0.00 H new ATOM 1005 N GLN A 67 18.750 -37.138 -7.747 1.00 0.00 N ATOM 1006 CA GLN A 67 19.878 -36.623 -8.511 1.00 0.00 C ATOM 1007 C GLN A 67 20.155 -35.164 -8.158 1.00 0.00 C ATOM 1008 O GLN A 67 21.306 -34.730 -8.159 1.00 0.00 O ATOM 1009 CB GLN A 67 19.626 -36.779 -10.015 1.00 0.00 C ATOM 1010 CG GLN A 67 18.418 -36.013 -10.521 1.00 0.00 C ATOM 1011 CD GLN A 67 18.047 -36.389 -11.939 1.00 0.00 C ATOM 1012 OE1 GLN A 67 18.533 -35.797 -12.907 1.00 0.00 O ATOM 1013 NE2 GLN A 67 17.179 -37.379 -12.068 1.00 0.00 N ATOM 0 H GLN A 67 17.866 -37.153 -8.255 1.00 0.00 H new ATOM 0 HA GLN A 67 20.761 -37.206 -8.248 1.00 0.00 H new ATOM 0 HB2 GLN A 67 20.510 -36.443 -10.558 1.00 0.00 H new ATOM 0 HB3 GLN A 67 19.494 -37.837 -10.243 1.00 0.00 H new ATOM 0 HG2 GLN A 67 17.569 -36.204 -9.864 1.00 0.00 H new ATOM 0 HG3 GLN A 67 18.624 -34.944 -10.474 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.804 -37.839 -11.239 1.00 0.00 H new ATOM 0 HE22 GLN A 67 16.885 -37.682 -12.997 1.00 0.00 H new ATOM 1022 N ILE A 68 19.102 -34.416 -7.831 1.00 0.00 N ATOM 1023 CA ILE A 68 19.239 -32.992 -7.521 1.00 0.00 C ATOM 1024 C ILE A 68 20.178 -32.764 -6.341 1.00 0.00 C ATOM 1025 O ILE A 68 21.105 -31.962 -6.434 1.00 0.00 O ATOM 1026 CB ILE A 68 17.875 -32.332 -7.218 1.00 0.00 C ATOM 1027 CG1 ILE A 68 17.004 -32.309 -8.475 1.00 0.00 C ATOM 1028 CG2 ILE A 68 18.055 -30.917 -6.675 1.00 0.00 C ATOM 1029 CD1 ILE A 68 15.628 -31.714 -8.253 1.00 0.00 C ATOM 0 H ILE A 68 18.147 -34.770 -7.774 1.00 0.00 H new ATOM 0 HA ILE A 68 19.662 -32.527 -8.411 1.00 0.00 H new ATOM 0 HB ILE A 68 17.377 -32.927 -6.453 1.00 0.00 H new ATOM 0 HG12 ILE A 68 17.516 -31.739 -9.250 1.00 0.00 H new ATOM 0 HG13 ILE A 68 16.894 -33.327 -8.848 1.00 0.00 H new ATOM 0 HG21 ILE A 68 17.078 -30.478 -6.471 1.00 0.00 H new ATOM 0 HG22 ILE A 68 18.636 -30.952 -5.754 1.00 0.00 H new ATOM 0 HG23 ILE A 68 18.579 -30.308 -7.412 1.00 0.00 H new ATOM 0 HD11 ILE A 68 15.069 -31.732 -9.188 1.00 0.00 H new ATOM 0 HD12 ILE A 68 15.096 -32.297 -7.501 1.00 0.00 H new ATOM 0 HD13 ILE A 68 15.728 -30.684 -7.909 1.00 0.00 H new ATOM 1041 N ARG A 69 19.953 -33.482 -5.243 1.00 0.00 N ATOM 1042 CA ARG A 69 20.757 -33.289 -4.039 1.00 0.00 C ATOM 1043 C ARG A 69 22.228 -33.590 -4.321 1.00 0.00 C ATOM 1044 O ARG A 69 23.113 -32.901 -3.816 1.00 0.00 O ATOM 1045 CB ARG A 69 20.246 -34.165 -2.885 1.00 0.00 C ATOM 1046 CG ARG A 69 20.527 -35.647 -3.067 1.00 0.00 C ATOM 1047 CD ARG A 69 20.110 -36.460 -1.858 1.00 0.00 C ATOM 1048 NE ARG A 69 20.613 -37.828 -1.945 1.00 0.00 N ATOM 1049 CZ ARG A 69 19.897 -38.856 -2.384 1.00 0.00 C ATOM 1050 NH1 ARG A 69 18.609 -38.706 -2.671 1.00 0.00 N ATOM 1051 NH2 ARG A 69 20.468 -40.044 -2.509 1.00 0.00 N ATOM 0 H ARG A 69 19.229 -34.195 -5.162 1.00 0.00 H new ATOM 0 HA ARG A 69 20.664 -32.245 -3.740 1.00 0.00 H new ATOM 0 HB2 ARG A 69 20.706 -33.829 -1.956 1.00 0.00 H new ATOM 0 HB3 ARG A 69 19.171 -34.019 -2.779 1.00 0.00 H new ATOM 0 HG2 ARG A 69 19.997 -36.010 -3.948 1.00 0.00 H new ATOM 0 HG3 ARG A 69 21.591 -35.794 -3.252 1.00 0.00 H new ATOM 0 HD2 ARG A 69 20.487 -35.988 -0.951 1.00 0.00 H new ATOM 0 HD3 ARG A 69 19.023 -36.473 -1.782 1.00 0.00 H new ATOM 0 HE ARG A 69 21.573 -38.005 -1.650 1.00 0.00 H new ATOM 0 HH11 ARG A 69 18.163 -37.796 -2.555 1.00 0.00 H new ATOM 0 HH12 ARG A 69 18.066 -39.501 -3.008 1.00 0.00 H new ATOM 0 HH21 ARG A 69 21.452 -40.165 -2.269 1.00 0.00 H new ATOM 0 HH22 ARG A 69 19.924 -40.838 -2.846 1.00 0.00 H new ATOM 1065 N GLN A 70 22.470 -34.596 -5.162 1.00 0.00 N ATOM 1066 CA GLN A 70 23.818 -35.045 -5.471 1.00 0.00 C ATOM 1067 C GLN A 70 24.506 -34.074 -6.426 1.00 0.00 C ATOM 1068 O GLN A 70 25.616 -33.616 -6.165 1.00 0.00 O ATOM 1069 CB GLN A 70 23.743 -36.445 -6.087 1.00 0.00 C ATOM 1070 CG GLN A 70 24.926 -37.338 -5.761 1.00 0.00 C ATOM 1071 CD GLN A 70 26.188 -36.970 -6.516 1.00 0.00 C ATOM 1072 OE1 GLN A 70 26.985 -36.158 -6.053 1.00 0.00 O ATOM 1073 NE2 GLN A 70 26.382 -37.574 -7.677 1.00 0.00 N ATOM 0 H GLN A 70 21.737 -35.117 -5.644 1.00 0.00 H new ATOM 0 HA GLN A 70 24.408 -35.080 -4.555 1.00 0.00 H new ATOM 0 HB2 GLN A 70 22.830 -36.932 -5.743 1.00 0.00 H new ATOM 0 HB3 GLN A 70 23.664 -36.348 -7.170 1.00 0.00 H new ATOM 0 HG2 GLN A 70 25.125 -37.288 -4.690 1.00 0.00 H new ATOM 0 HG3 GLN A 70 24.664 -38.371 -5.988 1.00 0.00 H new ATOM 0 HE21 GLN A 70 25.695 -38.242 -8.025 1.00 0.00 H new ATOM 0 HE22 GLN A 70 27.219 -37.371 -8.224 1.00 0.00 H new ATOM 1082 N LEU A 71 23.831 -33.739 -7.518 1.00 0.00 N ATOM 1083 CA LEU A 71 24.391 -32.844 -8.528 1.00 0.00 C ATOM 1084 C LEU A 71 24.642 -31.453 -7.937 1.00 0.00 C ATOM 1085 O LEU A 71 25.507 -30.709 -8.400 1.00 0.00 O ATOM 1086 CB LEU A 71 23.441 -32.756 -9.730 1.00 0.00 C ATOM 1087 CG LEU A 71 24.100 -32.855 -11.113 1.00 0.00 C ATOM 1088 CD1 LEU A 71 25.042 -31.686 -11.359 1.00 0.00 C ATOM 1089 CD2 LEU A 71 24.846 -34.174 -11.258 1.00 0.00 C ATOM 0 H LEU A 71 22.891 -34.074 -7.729 1.00 0.00 H new ATOM 0 HA LEU A 71 25.347 -33.246 -8.863 1.00 0.00 H new ATOM 0 HB2 LEU A 71 22.702 -33.552 -9.643 1.00 0.00 H new ATOM 0 HB3 LEU A 71 22.900 -31.811 -9.673 1.00 0.00 H new ATOM 0 HG LEU A 71 23.309 -32.816 -11.862 1.00 0.00 H new ATOM 0 HD11 LEU A 71 25.493 -31.784 -12.346 1.00 0.00 H new ATOM 0 HD12 LEU A 71 24.484 -30.751 -11.307 1.00 0.00 H new ATOM 0 HD13 LEU A 71 25.825 -31.684 -10.601 1.00 0.00 H new ATOM 0 HD21 LEU A 71 25.306 -34.225 -12.245 1.00 0.00 H new ATOM 0 HD22 LEU A 71 25.620 -34.240 -10.493 1.00 0.00 H new ATOM 0 HD23 LEU A 71 24.147 -35.002 -11.140 1.00 0.00 H new ATOM 1101 N LYS A 72 23.880 -31.111 -6.908 1.00 0.00 N ATOM 1102 CA LYS A 72 24.014 -29.820 -6.247 1.00 0.00 C ATOM 1103 C LYS A 72 25.253 -29.798 -5.343 1.00 0.00 C ATOM 1104 O LYS A 72 25.689 -28.737 -4.894 1.00 0.00 O ATOM 1105 CB LYS A 72 22.734 -29.520 -5.448 1.00 0.00 C ATOM 1106 CG LYS A 72 22.573 -28.064 -5.018 1.00 0.00 C ATOM 1107 CD LYS A 72 23.181 -27.774 -3.647 1.00 0.00 C ATOM 1108 CE LYS A 72 22.345 -28.348 -2.511 1.00 0.00 C ATOM 1109 NZ LYS A 72 22.421 -29.832 -2.435 1.00 0.00 N ATOM 0 H LYS A 72 23.159 -31.713 -6.511 1.00 0.00 H new ATOM 0 HA LYS A 72 24.148 -29.042 -6.999 1.00 0.00 H new ATOM 0 HB2 LYS A 72 21.871 -29.803 -6.051 1.00 0.00 H new ATOM 0 HB3 LYS A 72 22.722 -30.150 -4.559 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.041 -27.418 -5.761 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.513 -27.812 -4.999 1.00 0.00 H new ATOM 0 HD2 LYS A 72 24.187 -28.192 -3.602 1.00 0.00 H new ATOM 0 HD3 LYS A 72 23.278 -26.696 -3.515 1.00 0.00 H new ATOM 0 HE2 LYS A 72 22.682 -27.922 -1.566 1.00 0.00 H new ATOM 0 HE3 LYS A 72 21.305 -28.048 -2.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 22.267 -30.138 -1.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 21.690 -30.249 -3.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 23.359 -30.148 -2.753 1.00 0.00 H new