USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 565 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 15:sc= -1.2 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.11 K(o=-0.11,f=-1.3) USER MOD Single : A 25 ASN : amide:sc= -1.78 K(o=-1.8,f=-1.3) USER MOD Single : A 27 ASN : amide:sc= -0.015 X(o=-0.015,f=-0.045) USER MOD Single : A 30 GLN : amide:sc= -3.82! C(o=-3.8!,f=-3.9!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.141 X(o=-0.14,f=0.28) USER MOD Single : A 61 ASN : amide:sc= -1.63 K(o=-1.6,f=-15!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.327 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -1.22 X(o=-1.2,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 6 -11.113 5.788 6.063 1.00 0.00 N ATOM 49 CA SER A 6 -9.805 6.285 5.672 1.00 0.00 C ATOM 50 C SER A 6 -9.818 6.689 4.197 1.00 0.00 C ATOM 51 O SER A 6 -9.522 7.834 3.860 1.00 0.00 O ATOM 52 CB SER A 6 -8.719 5.237 5.926 1.00 0.00 C ATOM 53 OG SER A 6 -8.308 5.213 7.290 1.00 0.00 O ATOM 0 HA SER A 6 -9.576 7.161 6.280 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.092 4.253 5.642 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.858 5.447 5.292 1.00 0.00 H new ATOM 0 HG SER A 6 -7.616 4.530 7.411 1.00 0.00 H new ATOM 59 N GLY A 7 -10.164 5.725 3.356 1.00 0.00 N ATOM 60 CA GLY A 7 -10.220 5.966 1.924 1.00 0.00 C ATOM 61 C GLY A 7 -11.135 7.149 1.602 1.00 0.00 C ATOM 62 O GLY A 7 -10.832 7.951 0.720 1.00 0.00 O ATOM 0 H GLY A 7 -10.408 4.776 3.639 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.217 6.164 1.546 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.582 5.073 1.415 1.00 0.00 H new ATOM 66 N ALA A 8 -12.237 7.220 2.335 1.00 0.00 N ATOM 67 CA ALA A 8 -13.198 8.291 2.138 1.00 0.00 C ATOM 68 C ALA A 8 -12.622 9.596 2.691 1.00 0.00 C ATOM 69 O ALA A 8 -13.024 10.682 2.276 1.00 0.00 O ATOM 70 CB ALA A 8 -14.525 7.914 2.800 1.00 0.00 C ATOM 0 H ALA A 8 -12.485 6.553 3.066 1.00 0.00 H new ATOM 0 HA ALA A 8 -13.393 8.440 1.076 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -15.246 8.718 2.652 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -14.907 6.996 2.352 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -14.368 7.759 3.867 1.00 0.00 H new ATOM 76 N SER A 9 -11.688 9.447 3.620 1.00 0.00 N ATOM 77 CA SER A 9 -11.052 10.600 4.234 1.00 0.00 C ATOM 78 C SER A 9 -9.820 11.010 3.425 1.00 0.00 C ATOM 79 O SER A 9 -9.404 12.167 3.465 1.00 0.00 O ATOM 80 CB SER A 9 -10.662 10.307 5.684 1.00 0.00 C ATOM 81 OG SER A 9 -11.491 9.305 6.268 1.00 0.00 O ATOM 0 H SER A 9 -11.357 8.545 3.962 1.00 0.00 H new ATOM 0 HA SER A 9 -11.767 11.423 4.238 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.622 9.984 5.721 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.733 11.223 6.271 1.00 0.00 H new ATOM 0 HG SER A 9 -11.209 9.145 7.193 1.00 0.00 H new ATOM 87 N LEU A 10 -9.271 10.039 2.710 1.00 0.00 N ATOM 88 CA LEU A 10 -8.094 10.285 1.893 1.00 0.00 C ATOM 89 C LEU A 10 -8.409 11.376 0.868 1.00 0.00 C ATOM 90 O LEU A 10 -7.504 12.041 0.366 1.00 0.00 O ATOM 91 CB LEU A 10 -7.594 8.981 1.269 1.00 0.00 C ATOM 92 CG LEU A 10 -6.821 8.044 2.200 1.00 0.00 C ATOM 93 CD1 LEU A 10 -6.367 6.786 1.459 1.00 0.00 C ATOM 94 CD2 LEU A 10 -5.650 8.773 2.863 1.00 0.00 C ATOM 0 H LEU A 10 -9.619 9.081 2.679 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.273 10.653 2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.452 8.439 0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.954 9.229 0.422 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.493 7.723 2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.820 6.138 2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.238 6.256 1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.718 7.067 0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.118 8.085 3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.970 9.142 2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.028 9.612 3.447 1.00 0.00 H new ATOM 106 N LEU A 11 -9.696 11.528 0.589 1.00 0.00 N ATOM 107 CA LEU A 11 -10.141 12.527 -0.367 1.00 0.00 C ATOM 108 C LEU A 11 -10.054 13.914 0.274 1.00 0.00 C ATOM 109 O LEU A 11 -9.545 14.853 -0.337 1.00 0.00 O ATOM 110 CB LEU A 11 -11.535 12.180 -0.894 1.00 0.00 C ATOM 111 CG LEU A 11 -11.662 10.842 -1.625 1.00 0.00 C ATOM 112 CD1 LEU A 11 -12.935 10.106 -1.204 1.00 0.00 C ATOM 113 CD2 LEU A 11 -11.586 11.036 -3.141 1.00 0.00 C ATOM 0 H LEU A 11 -10.444 10.976 1.008 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.488 12.537 -1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.230 12.180 -0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.854 12.973 -1.571 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.818 10.215 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.001 9.158 -1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.908 9.917 -0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.805 10.718 -1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.679 10.070 -3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.396 11.689 -3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.629 11.487 -3.403 1.00 0.00 H new ATOM 125 N ALA A 12 -10.557 13.999 1.496 1.00 0.00 N ATOM 126 CA ALA A 12 -10.542 15.255 2.226 1.00 0.00 C ATOM 127 C ALA A 12 -9.135 15.507 2.770 1.00 0.00 C ATOM 128 O ALA A 12 -8.788 16.639 3.104 1.00 0.00 O ATOM 129 CB ALA A 12 -11.597 15.215 3.334 1.00 0.00 C ATOM 0 H ALA A 12 -10.978 13.218 2.000 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.794 16.085 1.566 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -11.586 16.157 3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.582 15.064 2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -11.376 14.395 4.018 1.00 0.00 H new ATOM 135 N ARG A 13 -8.362 14.434 2.842 1.00 0.00 N ATOM 136 CA ARG A 13 -7.000 14.524 3.340 1.00 0.00 C ATOM 137 C ARG A 13 -6.055 14.971 2.222 1.00 0.00 C ATOM 138 O ARG A 13 -5.262 15.893 2.406 1.00 0.00 O ATOM 139 CB ARG A 13 -6.525 13.179 3.893 1.00 0.00 C ATOM 140 CG ARG A 13 -6.532 13.182 5.423 1.00 0.00 C ATOM 141 CD ARG A 13 -5.626 12.082 5.978 1.00 0.00 C ATOM 142 NE ARG A 13 -5.477 12.238 7.442 1.00 0.00 N ATOM 143 CZ ARG A 13 -6.352 11.766 8.340 1.00 0.00 C ATOM 144 NH1 ARG A 13 -7.444 11.106 7.930 1.00 0.00 N ATOM 145 NH2 ARG A 13 -6.137 11.955 9.649 1.00 0.00 N ATOM 0 H ARG A 13 -8.653 13.497 2.564 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.989 15.258 4.145 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.171 12.382 3.524 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.519 12.968 3.531 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.198 14.153 5.790 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.550 13.037 5.786 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.047 11.103 5.750 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.649 12.128 5.498 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.657 12.736 7.789 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.609 10.963 6.934 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.110 10.747 8.614 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.307 12.458 9.962 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.803 11.596 10.332 1.00 0.00 H new ATOM 159 N TYR A 14 -6.170 14.296 1.088 1.00 0.00 N ATOM 160 CA TYR A 14 -5.336 14.611 -0.059 1.00 0.00 C ATOM 161 C TYR A 14 -6.186 15.080 -1.242 1.00 0.00 C ATOM 162 O TYR A 14 -7.361 14.730 -1.344 1.00 0.00 O ATOM 163 CB TYR A 14 -4.630 13.308 -0.438 1.00 0.00 C ATOM 164 CG TYR A 14 -3.650 12.801 0.622 1.00 0.00 C ATOM 165 CD1 TYR A 14 -4.097 11.984 1.640 1.00 0.00 C ATOM 166 CD2 TYR A 14 -2.319 13.161 0.560 1.00 0.00 C ATOM 167 CE1 TYR A 14 -3.174 11.506 2.638 1.00 0.00 C ATOM 168 CE2 TYR A 14 -1.396 12.683 1.557 1.00 0.00 C ATOM 169 CZ TYR A 14 -1.870 11.880 2.547 1.00 0.00 C ATOM 170 OH TYR A 14 -0.998 11.429 3.489 1.00 0.00 O ATOM 0 H TYR A 14 -6.829 13.532 0.939 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.636 15.410 0.183 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.381 12.540 -0.621 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -4.092 13.457 -1.374 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.139 11.703 1.689 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.970 13.801 -0.236 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.510 10.865 3.440 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.352 12.956 1.519 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.406 10.689 3.985 1.00 0.00 H new ATOM 180 N PRO A 15 -5.542 15.884 -2.130 1.00 0.00 N ATOM 181 CA PRO A 15 -6.225 16.404 -3.302 1.00 0.00 C ATOM 182 C PRO A 15 -6.399 15.315 -4.363 1.00 0.00 C ATOM 183 O PRO A 15 -5.869 14.214 -4.220 1.00 0.00 O ATOM 184 CB PRO A 15 -5.365 17.564 -3.777 1.00 0.00 C ATOM 185 CG PRO A 15 -4.001 17.360 -3.138 1.00 0.00 C ATOM 186 CD PRO A 15 -4.151 16.319 -2.041 1.00 0.00 C ATOM 0 HA PRO A 15 -7.238 16.741 -3.083 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.289 17.575 -4.864 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.797 18.519 -3.478 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.277 17.029 -3.882 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.628 18.298 -2.726 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.465 15.485 -2.190 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.930 16.742 -1.061 1.00 0.00 H new ATOM 194 N PRO A 16 -7.163 15.670 -5.430 1.00 0.00 N ATOM 195 CA PRO A 16 -7.414 14.736 -6.515 1.00 0.00 C ATOM 196 C PRO A 16 -6.179 14.585 -7.405 1.00 0.00 C ATOM 197 O PRO A 16 -6.011 13.566 -8.073 1.00 0.00 O ATOM 198 CB PRO A 16 -8.614 15.305 -7.254 1.00 0.00 C ATOM 199 CG PRO A 16 -8.701 16.766 -6.845 1.00 0.00 C ATOM 200 CD PRO A 16 -7.807 16.965 -5.632 1.00 0.00 C ATOM 0 HA PRO A 16 -7.623 13.726 -6.161 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.490 15.208 -8.333 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.526 14.770 -6.988 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.382 17.411 -7.664 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.730 17.036 -6.609 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.071 17.750 -5.807 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.386 17.260 -4.757 1.00 0.00 H new ATOM 208 N GLU A 17 -5.346 15.615 -7.385 1.00 0.00 N ATOM 209 CA GLU A 17 -4.131 15.610 -8.183 1.00 0.00 C ATOM 210 C GLU A 17 -3.054 14.762 -7.503 1.00 0.00 C ATOM 211 O GLU A 17 -1.968 14.576 -8.051 1.00 0.00 O ATOM 212 CB GLU A 17 -3.631 17.035 -8.430 1.00 0.00 C ATOM 213 CG GLU A 17 -2.864 17.565 -7.217 1.00 0.00 C ATOM 214 CD GLU A 17 -2.480 19.034 -7.411 1.00 0.00 C ATOM 215 OE1 GLU A 17 -1.450 19.268 -8.079 1.00 0.00 O ATOM 216 OE2 GLU A 17 -3.226 19.889 -6.886 1.00 0.00 O ATOM 0 H GLU A 17 -5.488 16.458 -6.829 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.358 15.167 -9.153 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.985 17.051 -9.308 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.476 17.689 -8.644 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.476 17.460 -6.321 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.966 16.968 -7.061 1.00 0.00 H new ATOM 223 N LYS A 18 -3.392 14.269 -6.321 1.00 0.00 N ATOM 224 CA LYS A 18 -2.467 13.445 -5.561 1.00 0.00 C ATOM 225 C LYS A 18 -3.185 12.176 -5.098 1.00 0.00 C ATOM 226 O LYS A 18 -2.656 11.423 -4.281 1.00 0.00 O ATOM 227 CB LYS A 18 -1.845 14.251 -4.419 1.00 0.00 C ATOM 228 CG LYS A 18 -1.166 15.517 -4.948 1.00 0.00 C ATOM 229 CD LYS A 18 -0.129 16.040 -3.952 1.00 0.00 C ATOM 230 CE LYS A 18 0.503 17.340 -4.451 1.00 0.00 C ATOM 231 NZ LYS A 18 1.441 17.881 -3.442 1.00 0.00 N ATOM 0 H LYS A 18 -4.294 14.424 -5.870 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.633 13.130 -6.188 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.616 14.522 -3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.116 13.637 -3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.684 15.304 -5.902 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.916 16.285 -5.135 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.602 16.209 -2.985 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.646 15.289 -3.801 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.031 17.159 -5.387 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.276 18.073 -4.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.861 18.764 -3.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.927 18.073 -2.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.194 17.187 -3.261 1.00 0.00 H new ATOM 245 N LEU A 19 -4.378 11.977 -5.639 1.00 0.00 N ATOM 246 CA LEU A 19 -5.173 10.812 -5.292 1.00 0.00 C ATOM 247 C LEU A 19 -4.817 9.658 -6.232 1.00 0.00 C ATOM 248 O LEU A 19 -5.127 9.704 -7.421 1.00 0.00 O ATOM 249 CB LEU A 19 -6.662 11.163 -5.284 1.00 0.00 C ATOM 250 CG LEU A 19 -7.277 11.447 -3.912 1.00 0.00 C ATOM 251 CD1 LEU A 19 -8.801 11.544 -4.005 1.00 0.00 C ATOM 252 CD2 LEU A 19 -6.831 10.405 -2.885 1.00 0.00 C ATOM 0 H LEU A 19 -4.813 12.604 -6.316 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.942 10.481 -4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.812 12.039 -5.916 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.211 10.341 -5.743 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.913 12.415 -3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.214 11.746 -3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.073 12.352 -4.684 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.203 10.603 -4.380 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.282 10.630 -1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.147 9.414 -3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.745 10.427 -2.792 1.00 0.00 H new ATOM 264 N PHE A 20 -4.172 8.651 -5.662 1.00 0.00 N ATOM 265 CA PHE A 20 -3.771 7.487 -6.435 1.00 0.00 C ATOM 266 C PHE A 20 -4.239 6.195 -5.762 1.00 0.00 C ATOM 267 O PHE A 20 -4.180 6.071 -4.540 1.00 0.00 O ATOM 268 CB PHE A 20 -2.242 7.494 -6.492 1.00 0.00 C ATOM 269 CG PHE A 20 -1.659 8.562 -7.419 1.00 0.00 C ATOM 270 CD1 PHE A 20 -1.614 8.347 -8.761 1.00 0.00 C ATOM 271 CD2 PHE A 20 -1.185 9.727 -6.901 1.00 0.00 C ATOM 272 CE1 PHE A 20 -1.073 9.339 -9.622 1.00 0.00 C ATOM 273 CE2 PHE A 20 -0.644 10.719 -7.761 1.00 0.00 C ATOM 274 CZ PHE A 20 -0.599 10.504 -9.103 1.00 0.00 C ATOM 0 H PHE A 20 -3.917 8.617 -4.675 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.215 7.529 -7.429 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.852 7.648 -5.486 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.896 6.514 -6.821 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.990 7.422 -9.172 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.220 9.898 -5.835 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.038 9.169 -10.688 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.268 11.644 -7.349 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.187 11.258 -9.757 1.00 0.00 H new ATOM 284 N GLN A 21 -4.693 5.266 -6.590 1.00 0.00 N ATOM 285 CA GLN A 21 -5.171 3.988 -6.091 1.00 0.00 C ATOM 286 C GLN A 21 -4.127 2.897 -6.338 1.00 0.00 C ATOM 287 O GLN A 21 -3.177 3.102 -7.093 1.00 0.00 O ATOM 288 CB GLN A 21 -6.512 3.617 -6.727 1.00 0.00 C ATOM 289 CG GLN A 21 -7.420 2.909 -5.719 1.00 0.00 C ATOM 290 CD GLN A 21 -8.891 3.046 -6.116 1.00 0.00 C ATOM 291 OE1 GLN A 21 -9.230 3.344 -7.249 1.00 0.00 O ATOM 292 NE2 GLN A 21 -9.743 2.811 -5.122 1.00 0.00 N ATOM 0 H GLN A 21 -4.740 5.373 -7.603 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.328 4.077 -5.016 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.005 4.516 -7.096 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.344 2.970 -7.588 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.152 1.854 -5.661 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -7.267 3.332 -4.726 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.392 2.566 -4.196 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.748 2.876 -5.285 1.00 0.00 H new ATOM 301 N ALA A 22 -4.337 1.762 -5.689 1.00 0.00 N ATOM 302 CA ALA A 22 -3.426 0.639 -5.829 1.00 0.00 C ATOM 303 C ALA A 22 -3.795 -0.158 -7.082 1.00 0.00 C ATOM 304 O ALA A 22 -4.751 -0.932 -7.070 1.00 0.00 O ATOM 305 CB ALA A 22 -3.469 -0.216 -4.561 1.00 0.00 C ATOM 0 H ALA A 22 -5.126 1.596 -5.064 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.401 0.990 -5.951 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.785 -1.058 -4.667 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.170 0.388 -3.704 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.482 -0.588 -4.407 1.00 0.00 H new ATOM 311 N GLU A 23 -3.018 0.058 -8.133 1.00 0.00 N ATOM 312 CA GLU A 23 -3.251 -0.630 -9.391 1.00 0.00 C ATOM 313 C GLU A 23 -3.548 -2.110 -9.139 1.00 0.00 C ATOM 314 O GLU A 23 -4.550 -2.636 -9.620 1.00 0.00 O ATOM 315 CB GLU A 23 -2.059 -0.463 -10.336 1.00 0.00 C ATOM 316 CG GLU A 23 -2.105 0.894 -11.041 1.00 0.00 C ATOM 317 CD GLU A 23 -2.696 0.763 -12.446 1.00 0.00 C ATOM 318 OE1 GLU A 23 -3.854 0.302 -12.533 1.00 0.00 O ATOM 319 OE2 GLU A 23 -1.977 1.128 -13.401 1.00 0.00 O ATOM 0 H GLU A 23 -2.226 0.700 -8.139 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.120 -0.182 -9.873 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.129 -0.554 -9.774 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.063 -1.262 -11.077 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.703 1.592 -10.455 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.099 1.310 -11.103 1.00 0.00 H new ATOM 326 N ARG A 24 -2.658 -2.739 -8.386 1.00 0.00 N ATOM 327 CA ARG A 24 -2.812 -4.148 -8.064 1.00 0.00 C ATOM 328 C ARG A 24 -2.407 -4.408 -6.612 1.00 0.00 C ATOM 329 O ARG A 24 -1.924 -3.507 -5.927 1.00 0.00 O ATOM 330 CB ARG A 24 -1.960 -5.020 -8.988 1.00 0.00 C ATOM 331 CG ARG A 24 -0.581 -4.395 -9.215 1.00 0.00 C ATOM 332 CD ARG A 24 0.487 -5.475 -9.398 1.00 0.00 C ATOM 333 NE ARG A 24 1.399 -5.102 -10.502 1.00 0.00 N ATOM 334 CZ ARG A 24 1.045 -5.079 -11.794 1.00 0.00 C ATOM 335 NH1 ARG A 24 -0.204 -5.407 -12.152 1.00 0.00 N ATOM 336 NH2 ARG A 24 1.939 -4.729 -12.728 1.00 0.00 N ATOM 0 H ARG A 24 -1.828 -2.299 -7.989 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.861 -4.407 -8.204 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.846 -6.013 -8.553 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.468 -5.147 -9.944 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.609 -3.753 -10.096 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.321 -3.761 -8.367 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.052 -5.599 -8.474 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.014 -6.433 -9.614 1.00 0.00 H new ATOM 0 HE ARG A 24 2.357 -4.846 -10.264 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.885 -5.674 -11.441 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.474 -5.390 -13.136 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.890 -4.480 -12.456 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.669 -4.712 -13.711 1.00 0.00 H new ATOM 350 N ASN A 25 -2.619 -5.644 -6.185 1.00 0.00 N ATOM 351 CA ASN A 25 -2.282 -6.034 -4.826 1.00 0.00 C ATOM 352 C ASN A 25 -0.775 -5.879 -4.614 1.00 0.00 C ATOM 353 O ASN A 25 -0.007 -6.796 -4.901 1.00 0.00 O ATOM 354 CB ASN A 25 -2.648 -7.497 -4.566 1.00 0.00 C ATOM 355 CG ASN A 25 -3.992 -7.849 -5.208 1.00 0.00 C ATOM 356 OD1 ASN A 25 -4.071 -8.279 -6.347 1.00 0.00 O ATOM 357 ND2 ASN A 25 -5.040 -7.642 -4.416 1.00 0.00 N ATOM 0 H ASN A 25 -3.020 -6.388 -6.756 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.842 -5.395 -4.143 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.869 -8.147 -4.965 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.695 -7.678 -3.492 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.981 -7.845 -4.752 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.903 -7.280 -3.472 1.00 0.00 H new ATOM 364 N PHE A 26 -0.397 -4.712 -4.114 1.00 0.00 N ATOM 365 CA PHE A 26 1.005 -4.425 -3.860 1.00 0.00 C ATOM 366 C PHE A 26 1.517 -5.216 -2.655 1.00 0.00 C ATOM 367 O PHE A 26 0.830 -5.322 -1.640 1.00 0.00 O ATOM 368 CB PHE A 26 1.107 -2.930 -3.555 1.00 0.00 C ATOM 369 CG PHE A 26 2.539 -2.435 -3.338 1.00 0.00 C ATOM 370 CD1 PHE A 26 3.117 -2.544 -2.112 1.00 0.00 C ATOM 371 CD2 PHE A 26 3.232 -1.886 -4.371 1.00 0.00 C ATOM 372 CE1 PHE A 26 4.446 -2.085 -1.911 1.00 0.00 C ATOM 373 CE2 PHE A 26 4.561 -1.427 -4.170 1.00 0.00 C ATOM 374 CZ PHE A 26 5.140 -1.537 -2.944 1.00 0.00 C ATOM 0 H PHE A 26 -1.037 -3.954 -3.878 1.00 0.00 H new ATOM 0 HA PHE A 26 1.605 -4.705 -4.726 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.661 -2.371 -4.377 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.519 -2.710 -2.664 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.566 -2.979 -1.292 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.772 -1.799 -5.344 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.905 -2.171 -0.937 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.112 -0.991 -4.990 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.151 -1.189 -2.791 1.00 0.00 H new ATOM 384 N ASN A 27 2.720 -5.751 -2.806 1.00 0.00 N ATOM 385 CA ASN A 27 3.332 -6.529 -1.742 1.00 0.00 C ATOM 386 C ASN A 27 4.615 -5.834 -1.282 1.00 0.00 C ATOM 387 O ASN A 27 5.525 -5.612 -2.079 1.00 0.00 O ATOM 388 CB ASN A 27 3.702 -7.931 -2.229 1.00 0.00 C ATOM 389 CG ASN A 27 2.690 -8.967 -1.736 1.00 0.00 C ATOM 390 OD1 ASN A 27 2.506 -9.177 -0.548 1.00 0.00 O ATOM 391 ND2 ASN A 27 2.045 -9.601 -2.712 1.00 0.00 N ATOM 0 H ASN A 27 3.287 -5.661 -3.649 1.00 0.00 H new ATOM 0 HA ASN A 27 2.614 -6.609 -0.926 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.739 -7.943 -3.318 1.00 0.00 H new ATOM 0 HB3 ASN A 27 4.698 -8.192 -1.873 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.349 -10.311 -2.486 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.247 -9.377 -3.686 1.00 0.00 H new ATOM 398 N ALA A 28 4.647 -5.510 0.002 1.00 0.00 N ATOM 399 CA ALA A 28 5.803 -4.845 0.578 1.00 0.00 C ATOM 400 C ALA A 28 7.064 -5.647 0.248 1.00 0.00 C ATOM 401 O ALA A 28 7.104 -6.859 0.451 1.00 0.00 O ATOM 402 CB ALA A 28 5.598 -4.676 2.085 1.00 0.00 C ATOM 0 H ALA A 28 3.890 -5.696 0.660 1.00 0.00 H new ATOM 0 HA ALA A 28 5.924 -3.849 0.152 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.466 -4.177 2.517 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.707 -4.075 2.266 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.475 -5.655 2.548 1.00 0.00 H new ATOM 408 N ALA A 29 8.063 -4.937 -0.257 1.00 0.00 N ATOM 409 CA ALA A 29 9.321 -5.567 -0.617 1.00 0.00 C ATOM 410 C ALA A 29 10.393 -5.174 0.401 1.00 0.00 C ATOM 411 O ALA A 29 11.128 -6.028 0.895 1.00 0.00 O ATOM 412 CB ALA A 29 9.700 -5.170 -2.046 1.00 0.00 C ATOM 0 H ALA A 29 8.026 -3.932 -0.425 1.00 0.00 H new ATOM 0 HA ALA A 29 9.227 -6.653 -0.594 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.644 -5.643 -2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.920 -5.497 -2.734 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.806 -4.087 -2.107 1.00 0.00 H new ATOM 418 N GLN A 30 10.449 -3.881 0.684 1.00 0.00 N ATOM 419 CA GLN A 30 11.419 -3.364 1.635 1.00 0.00 C ATOM 420 C GLN A 30 10.720 -2.935 2.926 1.00 0.00 C ATOM 421 O GLN A 30 9.519 -3.143 3.085 1.00 0.00 O ATOM 422 CB GLN A 30 12.215 -2.205 1.031 1.00 0.00 C ATOM 423 CG GLN A 30 11.286 -1.198 0.350 1.00 0.00 C ATOM 424 CD GLN A 30 12.031 0.095 0.014 1.00 0.00 C ATOM 425 OE1 GLN A 30 13.073 0.404 0.569 1.00 0.00 O ATOM 426 NE2 GLN A 30 11.441 0.832 -0.923 1.00 0.00 N ATOM 0 H GLN A 30 9.838 -3.176 0.272 1.00 0.00 H new ATOM 0 HA GLN A 30 12.124 -4.160 1.874 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.788 -1.706 1.813 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.933 -2.590 0.307 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.877 -1.634 -0.562 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.442 -0.976 1.004 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.569 0.515 -1.347 1.00 0.00 H new ATOM 0 HE22 GLN A 30 11.860 1.714 -1.217 1.00 0.00 H new ATOM 435 N ASP A 31 11.503 -2.344 3.817 1.00 0.00 N ATOM 436 CA ASP A 31 10.975 -1.884 5.090 1.00 0.00 C ATOM 437 C ASP A 31 10.237 -0.560 4.882 1.00 0.00 C ATOM 438 O ASP A 31 9.479 -0.125 5.748 1.00 0.00 O ATOM 439 CB ASP A 31 12.099 -1.645 6.099 1.00 0.00 C ATOM 440 CG ASP A 31 12.335 -2.789 7.087 1.00 0.00 C ATOM 441 OD1 ASP A 31 12.816 -3.847 6.626 1.00 0.00 O ATOM 442 OD2 ASP A 31 12.029 -2.580 8.281 1.00 0.00 O ATOM 0 H ASP A 31 12.500 -2.173 3.682 1.00 0.00 H new ATOM 0 HA ASP A 31 10.304 -2.652 5.474 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.024 -1.460 5.553 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.875 -0.739 6.662 1.00 0.00 H new ATOM 447 N LEU A 32 10.485 0.044 3.729 1.00 0.00 N ATOM 448 CA LEU A 32 9.853 1.310 3.397 1.00 0.00 C ATOM 449 C LEU A 32 8.576 1.043 2.597 1.00 0.00 C ATOM 450 O LEU A 32 7.784 1.955 2.364 1.00 0.00 O ATOM 451 CB LEU A 32 10.844 2.232 2.683 1.00 0.00 C ATOM 452 CG LEU A 32 12.073 2.650 3.493 1.00 0.00 C ATOM 453 CD1 LEU A 32 12.887 3.708 2.745 1.00 0.00 C ATOM 454 CD2 LEU A 32 11.674 3.118 4.894 1.00 0.00 C ATOM 0 H LEU A 32 11.114 -0.319 3.013 1.00 0.00 H new ATOM 0 HA LEU A 32 9.558 1.838 4.304 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.184 1.734 1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.314 3.133 2.373 1.00 0.00 H new ATOM 0 HG LEU A 32 12.714 1.777 3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.755 3.988 3.342 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.219 3.303 1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.267 4.588 2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.566 3.409 5.448 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.001 3.972 4.815 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.170 2.307 5.419 1.00 0.00 H new ATOM 466 N ASP A 33 8.416 -0.210 2.199 1.00 0.00 N ATOM 467 CA ASP A 33 7.249 -0.608 1.431 1.00 0.00 C ATOM 468 C ASP A 33 6.210 -1.224 2.371 1.00 0.00 C ATOM 469 O ASP A 33 6.560 -1.772 3.415 1.00 0.00 O ATOM 470 CB ASP A 33 7.614 -1.657 0.378 1.00 0.00 C ATOM 471 CG ASP A 33 8.517 -1.154 -0.749 1.00 0.00 C ATOM 472 OD1 ASP A 33 9.000 -0.008 -0.621 1.00 0.00 O ATOM 473 OD2 ASP A 33 8.706 -1.927 -1.713 1.00 0.00 O ATOM 0 H ASP A 33 9.075 -0.963 2.394 1.00 0.00 H new ATOM 0 HA ASP A 33 6.854 0.279 0.935 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.109 -2.492 0.875 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.695 -2.046 -0.060 1.00 0.00 H new ATOM 478 N VAL A 34 4.953 -1.111 1.967 1.00 0.00 N ATOM 479 CA VAL A 34 3.862 -1.650 2.761 1.00 0.00 C ATOM 480 C VAL A 34 2.818 -2.270 1.830 1.00 0.00 C ATOM 481 O VAL A 34 2.518 -1.718 0.772 1.00 0.00 O ATOM 482 CB VAL A 34 3.284 -0.559 3.664 1.00 0.00 C ATOM 483 CG1 VAL A 34 4.398 0.279 4.294 1.00 0.00 C ATOM 484 CG2 VAL A 34 2.300 0.326 2.895 1.00 0.00 C ATOM 0 H VAL A 34 4.666 -0.655 1.101 1.00 0.00 H new ATOM 0 HA VAL A 34 4.222 -2.441 3.419 1.00 0.00 H new ATOM 0 HB VAL A 34 2.736 -1.047 4.470 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.960 1.047 4.931 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.043 -0.364 4.893 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.986 0.752 3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.904 1.093 3.560 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.814 0.801 2.059 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.480 -0.285 2.517 1.00 0.00 H new ATOM 494 N SER A 35 2.293 -3.409 2.256 1.00 0.00 N ATOM 495 CA SER A 35 1.289 -4.110 1.474 1.00 0.00 C ATOM 496 C SER A 35 0.068 -3.213 1.265 1.00 0.00 C ATOM 497 O SER A 35 -0.256 -2.390 2.120 1.00 0.00 O ATOM 498 CB SER A 35 0.877 -5.418 2.152 1.00 0.00 C ATOM 499 OG SER A 35 2.005 -6.179 2.576 1.00 0.00 O ATOM 0 H SER A 35 2.544 -3.864 3.133 1.00 0.00 H new ATOM 0 HA SER A 35 1.721 -4.356 0.504 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.245 -5.197 3.012 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.278 -6.012 1.461 1.00 0.00 H new ATOM 0 HG SER A 35 1.699 -7.005 3.005 1.00 0.00 H new ATOM 505 N LEU A 36 -0.577 -3.402 0.123 1.00 0.00 N ATOM 506 CA LEU A 36 -1.755 -2.619 -0.209 1.00 0.00 C ATOM 507 C LEU A 36 -2.687 -3.456 -1.089 1.00 0.00 C ATOM 508 O LEU A 36 -2.235 -4.352 -1.800 1.00 0.00 O ATOM 509 CB LEU A 36 -1.352 -1.284 -0.838 1.00 0.00 C ATOM 510 CG LEU A 36 -0.593 -0.316 0.073 1.00 0.00 C ATOM 511 CD1 LEU A 36 -0.146 0.927 -0.699 1.00 0.00 C ATOM 512 CD2 LEU A 36 -1.424 0.043 1.306 1.00 0.00 C ATOM 0 H LEU A 36 -0.306 -4.086 -0.584 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.310 -2.365 0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.735 -1.489 -1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.254 -0.786 -1.194 1.00 0.00 H new ATOM 0 HG LEU A 36 0.308 -0.816 0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.391 1.598 -0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.510 0.631 -1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.020 1.439 -1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.861 0.732 1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.355 0.516 0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.649 -0.863 1.869 1.00 0.00 H new ATOM 524 N LEU A 37 -3.969 -3.134 -1.011 1.00 0.00 N ATOM 525 CA LEU A 37 -4.968 -3.845 -1.791 1.00 0.00 C ATOM 526 C LEU A 37 -5.233 -3.081 -3.090 1.00 0.00 C ATOM 527 O LEU A 37 -5.220 -1.851 -3.105 1.00 0.00 O ATOM 528 CB LEU A 37 -6.226 -4.091 -0.955 1.00 0.00 C ATOM 529 CG LEU A 37 -6.243 -5.382 -0.133 1.00 0.00 C ATOM 530 CD1 LEU A 37 -7.484 -5.446 0.760 1.00 0.00 C ATOM 531 CD2 LEU A 37 -6.124 -6.609 -1.039 1.00 0.00 C ATOM 0 H LEU A 37 -4.340 -2.390 -0.420 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.601 -4.833 -2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.357 -3.249 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.087 -4.098 -1.623 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.373 -5.382 0.524 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.472 -6.373 1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.485 -4.597 1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.380 -5.414 0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.138 -7.513 -0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.961 -6.628 -1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.188 -6.561 -1.595 1.00 0.00 H new ATOM 543 N GLU A 38 -5.467 -3.842 -4.149 1.00 0.00 N ATOM 544 CA GLU A 38 -5.735 -3.253 -5.450 1.00 0.00 C ATOM 545 C GLU A 38 -6.836 -2.196 -5.338 1.00 0.00 C ATOM 546 O GLU A 38 -6.950 -1.320 -6.193 1.00 0.00 O ATOM 547 CB GLU A 38 -6.108 -4.327 -6.473 1.00 0.00 C ATOM 548 CG GLU A 38 -7.067 -5.353 -5.865 1.00 0.00 C ATOM 549 CD GLU A 38 -7.809 -6.124 -6.958 1.00 0.00 C ATOM 550 OE1 GLU A 38 -7.132 -6.528 -7.928 1.00 0.00 O ATOM 551 OE2 GLU A 38 -9.038 -6.293 -6.799 1.00 0.00 O ATOM 0 H GLU A 38 -5.477 -4.862 -4.133 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.825 -2.766 -5.800 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.572 -3.861 -7.342 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.206 -4.829 -6.823 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.510 -6.049 -5.238 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.785 -4.847 -5.220 1.00 0.00 H new ATOM 558 N GLY A 39 -7.619 -2.315 -4.275 1.00 0.00 N ATOM 559 CA GLY A 39 -8.708 -1.381 -4.040 1.00 0.00 C ATOM 560 C GLY A 39 -8.275 -0.264 -3.089 1.00 0.00 C ATOM 561 O GLY A 39 -8.801 0.847 -3.151 1.00 0.00 O ATOM 0 H GLY A 39 -7.521 -3.043 -3.568 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.034 -0.951 -4.987 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.562 -1.911 -3.619 1.00 0.00 H new ATOM 565 N ASP A 40 -7.322 -0.596 -2.231 1.00 0.00 N ATOM 566 CA ASP A 40 -6.813 0.366 -1.268 1.00 0.00 C ATOM 567 C ASP A 40 -6.359 1.627 -2.006 1.00 0.00 C ATOM 568 O ASP A 40 -5.749 1.542 -3.070 1.00 0.00 O ATOM 569 CB ASP A 40 -5.609 -0.198 -0.510 1.00 0.00 C ATOM 570 CG ASP A 40 -5.957 -1.095 0.679 1.00 0.00 C ATOM 571 OD1 ASP A 40 -7.154 -1.122 1.039 1.00 0.00 O ATOM 572 OD2 ASP A 40 -5.018 -1.733 1.202 1.00 0.00 O ATOM 0 H ASP A 40 -6.889 -1.518 -2.182 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.611 0.591 -0.561 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.994 -0.767 -1.207 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.001 0.633 -0.153 1.00 0.00 H new ATOM 577 N LEU A 41 -6.673 2.768 -1.410 1.00 0.00 N ATOM 578 CA LEU A 41 -6.305 4.045 -1.996 1.00 0.00 C ATOM 579 C LEU A 41 -5.254 4.722 -1.115 1.00 0.00 C ATOM 580 O LEU A 41 -5.180 4.457 0.084 1.00 0.00 O ATOM 581 CB LEU A 41 -7.549 4.902 -2.238 1.00 0.00 C ATOM 582 CG LEU A 41 -7.383 6.064 -3.220 1.00 0.00 C ATOM 583 CD1 LEU A 41 -7.891 5.682 -4.612 1.00 0.00 C ATOM 584 CD2 LEU A 41 -8.058 7.330 -2.691 1.00 0.00 C ATOM 0 H LEU A 41 -7.179 2.834 -0.527 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.852 3.897 -2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.346 4.255 -2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.880 5.306 -1.281 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.319 6.282 -3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.762 6.525 -5.291 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.326 4.827 -4.984 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.948 5.421 -4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.925 8.140 -3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.122 7.143 -2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.609 7.611 -1.739 1.00 0.00 H new ATOM 596 N VAL A 42 -4.467 5.584 -1.743 1.00 0.00 N ATOM 597 CA VAL A 42 -3.424 6.301 -1.030 1.00 0.00 C ATOM 598 C VAL A 42 -3.233 7.680 -1.666 1.00 0.00 C ATOM 599 O VAL A 42 -3.709 7.928 -2.773 1.00 0.00 O ATOM 600 CB VAL A 42 -2.139 5.470 -1.008 1.00 0.00 C ATOM 601 CG1 VAL A 42 -2.392 4.086 -0.408 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.534 5.359 -2.409 1.00 0.00 C ATOM 0 H VAL A 42 -4.531 5.802 -2.737 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.711 6.459 0.010 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.418 5.984 -0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.463 3.516 -0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.756 4.193 0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.137 3.561 -1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.622 4.764 -2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.249 4.879 -3.077 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.299 6.355 -2.784 1.00 0.00 H new ATOM 612 N GLY A 43 -2.537 8.541 -0.938 1.00 0.00 N ATOM 613 CA GLY A 43 -2.278 9.888 -1.417 1.00 0.00 C ATOM 614 C GLY A 43 -0.774 10.161 -1.500 1.00 0.00 C ATOM 615 O GLY A 43 -0.087 10.183 -0.480 1.00 0.00 O ATOM 0 H GLY A 43 -2.145 8.332 -0.020 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.730 10.022 -2.400 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.746 10.611 -0.750 1.00 0.00 H new ATOM 619 N VAL A 44 -0.309 10.361 -2.724 1.00 0.00 N ATOM 620 CA VAL A 44 1.101 10.632 -2.953 1.00 0.00 C ATOM 621 C VAL A 44 1.568 11.727 -1.993 1.00 0.00 C ATOM 622 O VAL A 44 0.902 12.750 -1.841 1.00 0.00 O ATOM 623 CB VAL A 44 1.333 10.986 -4.423 1.00 0.00 C ATOM 624 CG1 VAL A 44 2.594 11.837 -4.589 1.00 0.00 C ATOM 625 CG2 VAL A 44 1.404 9.725 -5.286 1.00 0.00 C ATOM 0 H VAL A 44 -0.882 10.341 -3.567 1.00 0.00 H new ATOM 0 HA VAL A 44 1.699 9.744 -2.748 1.00 0.00 H new ATOM 0 HB VAL A 44 0.483 11.577 -4.764 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.736 12.075 -5.643 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.487 12.760 -4.020 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.458 11.283 -4.222 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.569 10.005 -6.326 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.226 9.096 -4.944 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.467 9.174 -5.203 1.00 0.00 H new ATOM 635 N ILE A 45 2.710 11.476 -1.369 1.00 0.00 N ATOM 636 CA ILE A 45 3.274 12.428 -0.428 1.00 0.00 C ATOM 637 C ILE A 45 4.596 12.963 -0.981 1.00 0.00 C ATOM 638 O ILE A 45 4.758 14.169 -1.157 1.00 0.00 O ATOM 639 CB ILE A 45 3.398 11.799 0.961 1.00 0.00 C ATOM 640 CG1 ILE A 45 2.055 11.820 1.694 1.00 0.00 C ATOM 641 CG2 ILE A 45 4.504 12.476 1.773 1.00 0.00 C ATOM 642 CD1 ILE A 45 2.140 11.055 3.017 1.00 0.00 C ATOM 0 H ILE A 45 3.260 10.626 -1.497 1.00 0.00 H new ATOM 0 HA ILE A 45 2.609 13.283 -0.307 1.00 0.00 H new ATOM 0 HB ILE A 45 3.682 10.754 0.838 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.757 12.851 1.884 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.285 11.377 1.062 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.571 12.010 2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.456 12.366 1.254 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.274 13.535 1.889 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.172 11.085 3.518 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.415 10.019 2.821 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.894 11.515 3.656 1.00 0.00 H new ATOM 654 N LYS A 46 5.509 12.038 -1.241 1.00 0.00 N ATOM 655 CA LYS A 46 6.813 12.401 -1.770 1.00 0.00 C ATOM 656 C LYS A 46 7.005 11.741 -3.137 1.00 0.00 C ATOM 657 O LYS A 46 6.639 10.582 -3.327 1.00 0.00 O ATOM 658 CB LYS A 46 7.914 12.063 -0.763 1.00 0.00 C ATOM 659 CG LYS A 46 8.513 13.334 -0.158 1.00 0.00 C ATOM 660 CD LYS A 46 9.484 12.997 0.975 1.00 0.00 C ATOM 661 CE LYS A 46 9.479 14.090 2.046 1.00 0.00 C ATOM 662 NZ LYS A 46 8.606 13.704 3.177 1.00 0.00 N ATOM 0 H LYS A 46 5.371 11.038 -1.095 1.00 0.00 H new ATOM 0 HA LYS A 46 6.875 13.478 -1.924 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.506 11.436 0.030 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.697 11.486 -1.255 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.033 13.899 -0.932 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.714 13.972 0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.208 12.043 1.423 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.491 12.881 0.573 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.494 14.261 2.404 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.131 15.029 1.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.614 14.457 3.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.634 13.564 2.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.955 12.820 3.599 1.00 0.00 H new ATOM 676 N LYS A 47 7.580 12.507 -4.053 1.00 0.00 N ATOM 677 CA LYS A 47 7.826 12.010 -5.396 1.00 0.00 C ATOM 678 C LYS A 47 9.299 11.618 -5.529 1.00 0.00 C ATOM 679 O LYS A 47 9.862 11.670 -6.621 1.00 0.00 O ATOM 680 CB LYS A 47 7.365 13.032 -6.438 1.00 0.00 C ATOM 681 CG LYS A 47 5.843 13.188 -6.416 1.00 0.00 C ATOM 682 CD LYS A 47 5.306 13.520 -7.810 1.00 0.00 C ATOM 683 CE LYS A 47 3.791 13.731 -7.778 1.00 0.00 C ATOM 684 NZ LYS A 47 3.446 15.082 -8.275 1.00 0.00 N ATOM 0 H LYS A 47 7.882 13.468 -3.891 1.00 0.00 H new ATOM 0 HA LYS A 47 7.239 11.111 -5.583 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.836 13.995 -6.241 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.688 12.716 -7.430 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.385 12.267 -6.056 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.565 13.977 -5.718 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.794 14.419 -8.187 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.550 12.712 -8.500 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.299 12.975 -8.390 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.422 13.606 -6.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.414 15.209 -8.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.900 15.799 -7.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.781 15.188 -9.254 1.00 0.00 H new ATOM 698 N LYS A 48 9.880 11.236 -4.402 1.00 0.00 N ATOM 699 CA LYS A 48 11.277 10.835 -4.378 1.00 0.00 C ATOM 700 C LYS A 48 11.609 10.239 -3.009 1.00 0.00 C ATOM 701 O LYS A 48 10.973 10.574 -2.011 1.00 0.00 O ATOM 702 CB LYS A 48 12.177 12.008 -4.773 1.00 0.00 C ATOM 703 CG LYS A 48 13.650 11.595 -4.764 1.00 0.00 C ATOM 704 CD LYS A 48 14.514 12.630 -5.488 1.00 0.00 C ATOM 705 CE LYS A 48 14.889 13.782 -4.553 1.00 0.00 C ATOM 706 NZ LYS A 48 16.287 14.207 -4.788 1.00 0.00 N ATOM 0 H LYS A 48 9.409 11.195 -3.498 1.00 0.00 H new ATOM 0 HA LYS A 48 11.463 10.057 -5.118 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.901 12.364 -5.766 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.024 12.837 -4.083 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.994 11.484 -3.736 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.762 10.623 -5.244 1.00 0.00 H new ATOM 0 HD2 LYS A 48 15.419 12.154 -5.865 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.975 13.019 -6.352 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.215 14.623 -4.715 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.767 13.471 -3.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.525 14.989 -4.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.927 13.407 -4.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.393 14.524 -5.773 1.00 0.00 H new ATOM 720 N ASP A 49 12.605 9.365 -3.006 1.00 0.00 N ATOM 721 CA ASP A 49 13.029 8.719 -1.776 1.00 0.00 C ATOM 722 C ASP A 49 14.322 9.371 -1.282 1.00 0.00 C ATOM 723 O ASP A 49 15.012 10.045 -2.044 1.00 0.00 O ATOM 724 CB ASP A 49 13.307 7.231 -2.003 1.00 0.00 C ATOM 725 CG ASP A 49 14.713 6.907 -2.513 1.00 0.00 C ATOM 726 OD1 ASP A 49 15.272 7.770 -3.223 1.00 0.00 O ATOM 727 OD2 ASP A 49 15.196 5.803 -2.180 1.00 0.00 O ATOM 0 H ASP A 49 13.130 9.089 -3.836 1.00 0.00 H new ATOM 0 HA ASP A 49 12.229 8.829 -1.044 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.145 6.699 -1.065 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.580 6.846 -2.718 1.00 0.00 H new ATOM 732 N PRO A 50 14.618 9.142 0.026 1.00 0.00 N ATOM 733 CA PRO A 50 15.815 9.700 0.631 1.00 0.00 C ATOM 734 C PRO A 50 17.063 8.939 0.180 1.00 0.00 C ATOM 735 O PRO A 50 17.750 8.326 0.995 1.00 0.00 O ATOM 736 CB PRO A 50 15.576 9.613 2.130 1.00 0.00 C ATOM 737 CG PRO A 50 14.465 8.592 2.316 1.00 0.00 C ATOM 738 CD PRO A 50 13.823 8.349 0.959 1.00 0.00 C ATOM 0 HA PRO A 50 15.997 10.732 0.329 1.00 0.00 H new ATOM 0 HB2 PRO A 50 16.481 9.305 2.653 1.00 0.00 H new ATOM 0 HB3 PRO A 50 15.288 10.582 2.537 1.00 0.00 H new ATOM 0 HG2 PRO A 50 14.865 7.662 2.721 1.00 0.00 H new ATOM 0 HG3 PRO A 50 13.725 8.958 3.028 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.842 7.291 0.696 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.778 8.661 0.954 1.00 0.00 H new ATOM 746 N MET A 51 17.319 9.004 -1.119 1.00 0.00 N ATOM 747 CA MET A 51 18.473 8.329 -1.688 1.00 0.00 C ATOM 748 C MET A 51 18.689 8.747 -3.144 1.00 0.00 C ATOM 749 O MET A 51 19.720 9.327 -3.481 1.00 0.00 O ATOM 750 CB MET A 51 18.265 6.815 -1.617 1.00 0.00 C ATOM 751 CG MET A 51 18.720 6.261 -0.266 1.00 0.00 C ATOM 752 SD MET A 51 19.484 4.663 -0.486 1.00 0.00 S ATOM 753 CE MET A 51 18.499 3.691 0.641 1.00 0.00 C ATOM 0 H MET A 51 16.747 9.513 -1.793 1.00 0.00 H new ATOM 0 HA MET A 51 19.356 8.611 -1.114 1.00 0.00 H new ATOM 0 HB2 MET A 51 17.212 6.581 -1.774 1.00 0.00 H new ATOM 0 HB3 MET A 51 18.822 6.330 -2.419 1.00 0.00 H new ATOM 0 HG2 MET A 51 19.426 6.949 0.199 1.00 0.00 H new ATOM 0 HG3 MET A 51 17.867 6.176 0.407 1.00 0.00 H new ATOM 0 HE1 MET A 51 18.845 2.657 0.628 1.00 0.00 H new ATOM 0 HE2 MET A 51 18.596 4.093 1.649 1.00 0.00 H new ATOM 0 HE3 MET A 51 17.453 3.728 0.335 1.00 0.00 H new ATOM 763 N GLY A 52 17.700 8.435 -3.969 1.00 0.00 N ATOM 764 CA GLY A 52 17.769 8.771 -5.381 1.00 0.00 C ATOM 765 C GLY A 52 16.957 7.783 -6.220 1.00 0.00 C ATOM 766 O GLY A 52 17.524 6.968 -6.947 1.00 0.00 O ATOM 0 H GLY A 52 16.847 7.953 -3.686 1.00 0.00 H new ATOM 0 HA2 GLY A 52 17.392 9.782 -5.537 1.00 0.00 H new ATOM 0 HA3 GLY A 52 18.808 8.764 -5.710 1.00 0.00 H new ATOM 770 N SER A 53 15.643 7.887 -6.092 1.00 0.00 N ATOM 771 CA SER A 53 14.747 7.012 -6.830 1.00 0.00 C ATOM 772 C SER A 53 13.440 7.744 -7.140 1.00 0.00 C ATOM 773 O SER A 53 12.566 7.854 -6.281 1.00 0.00 O ATOM 774 CB SER A 53 14.464 5.728 -6.048 1.00 0.00 C ATOM 775 OG SER A 53 15.654 4.990 -5.784 1.00 0.00 O ATOM 0 H SER A 53 15.176 8.564 -5.488 1.00 0.00 H new ATOM 0 HA SER A 53 15.232 6.735 -7.766 1.00 0.00 H new ATOM 0 HB2 SER A 53 13.976 5.978 -5.106 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.769 5.106 -6.612 1.00 0.00 H new ATOM 0 HG SER A 53 15.431 4.179 -5.282 1.00 0.00 H new ATOM 781 N GLN A 54 13.346 8.225 -8.371 1.00 0.00 N ATOM 782 CA GLN A 54 12.160 8.943 -8.806 1.00 0.00 C ATOM 783 C GLN A 54 11.065 7.958 -9.220 1.00 0.00 C ATOM 784 O GLN A 54 9.906 8.340 -9.372 1.00 0.00 O ATOM 785 CB GLN A 54 12.490 9.907 -9.947 1.00 0.00 C ATOM 786 CG GLN A 54 13.232 9.188 -11.075 1.00 0.00 C ATOM 787 CD GLN A 54 12.597 9.495 -12.432 1.00 0.00 C ATOM 788 OE1 GLN A 54 13.094 10.289 -13.214 1.00 0.00 O ATOM 789 NE2 GLN A 54 11.474 8.823 -12.668 1.00 0.00 N ATOM 0 H GLN A 54 14.072 8.131 -9.081 1.00 0.00 H new ATOM 0 HA GLN A 54 11.791 9.536 -7.969 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.571 10.346 -10.334 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.101 10.727 -9.570 1.00 0.00 H new ATOM 0 HG2 GLN A 54 14.278 9.495 -11.081 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.217 8.113 -10.897 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.112 8.173 -11.970 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.974 8.958 -13.547 1.00 0.00 H new ATOM 798 N ASN A 55 11.471 6.708 -9.389 1.00 0.00 N ATOM 799 CA ASN A 55 10.539 5.665 -9.782 1.00 0.00 C ATOM 800 C ASN A 55 9.723 5.230 -8.564 1.00 0.00 C ATOM 801 O ASN A 55 8.649 4.648 -8.707 1.00 0.00 O ATOM 802 CB ASN A 55 11.280 4.438 -10.317 1.00 0.00 C ATOM 803 CG ASN A 55 10.394 3.636 -11.274 1.00 0.00 C ATOM 804 OD1 ASN A 55 9.199 3.489 -11.078 1.00 0.00 O ATOM 805 ND2 ASN A 55 11.045 3.129 -12.316 1.00 0.00 N ATOM 0 H ASN A 55 12.433 6.394 -9.261 1.00 0.00 H new ATOM 0 HA ASN A 55 9.894 6.067 -10.563 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.187 4.753 -10.833 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.590 3.805 -9.486 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.543 2.578 -13.012 1.00 0.00 H new ATOM 0 HD22 ASN A 55 12.047 3.291 -12.419 1.00 0.00 H new ATOM 812 N ARG A 56 10.263 5.530 -7.392 1.00 0.00 N ATOM 813 CA ARG A 56 9.598 5.178 -6.149 1.00 0.00 C ATOM 814 C ARG A 56 9.069 6.435 -5.455 1.00 0.00 C ATOM 815 O ARG A 56 9.832 7.353 -5.159 1.00 0.00 O ATOM 816 CB ARG A 56 10.551 4.445 -5.203 1.00 0.00 C ATOM 817 CG ARG A 56 9.788 3.813 -4.037 1.00 0.00 C ATOM 818 CD ARG A 56 10.523 2.580 -3.505 1.00 0.00 C ATOM 819 NE ARG A 56 9.717 1.364 -3.756 1.00 0.00 N ATOM 820 CZ ARG A 56 10.203 0.116 -3.698 1.00 0.00 C ATOM 821 NH1 ARG A 56 11.493 -0.087 -3.398 1.00 0.00 N ATOM 822 NH2 ARG A 56 9.398 -0.927 -3.941 1.00 0.00 N ATOM 0 H ARG A 56 11.154 6.013 -7.277 1.00 0.00 H new ATOM 0 HA ARG A 56 8.767 4.517 -6.394 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.090 3.672 -5.751 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.296 5.142 -4.819 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.669 4.544 -3.237 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.787 3.532 -4.363 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.495 2.489 -3.989 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.708 2.690 -2.436 1.00 0.00 H new ATOM 0 HE ARG A 56 8.731 1.483 -3.987 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.105 0.708 -3.214 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.863 -1.036 -3.354 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.416 -0.771 -4.170 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.767 -1.877 -3.897 1.00 0.00 H new ATOM 836 N TRP A 57 7.766 6.436 -5.216 1.00 0.00 N ATOM 837 CA TRP A 57 7.125 7.565 -4.563 1.00 0.00 C ATOM 838 C TRP A 57 6.613 7.094 -3.200 1.00 0.00 C ATOM 839 O TRP A 57 6.235 5.935 -3.042 1.00 0.00 O ATOM 840 CB TRP A 57 6.023 8.155 -5.444 1.00 0.00 C ATOM 841 CG TRP A 57 6.542 8.900 -6.676 1.00 0.00 C ATOM 842 CD1 TRP A 57 7.815 9.093 -7.047 1.00 0.00 C ATOM 843 CD2 TRP A 57 5.744 9.548 -7.689 1.00 0.00 C ATOM 844 NE1 TRP A 57 7.896 9.815 -8.220 1.00 0.00 N ATOM 845 CE2 TRP A 57 6.596 10.100 -8.623 1.00 0.00 C ATOM 846 CE3 TRP A 57 4.348 9.663 -7.812 1.00 0.00 C ATOM 847 CZ2 TRP A 57 6.149 10.806 -9.746 1.00 0.00 C ATOM 848 CZ3 TRP A 57 3.917 10.372 -8.940 1.00 0.00 C ATOM 849 CH2 TRP A 57 4.762 10.934 -9.889 1.00 0.00 C ATOM 0 H TRP A 57 7.136 5.673 -5.463 1.00 0.00 H new ATOM 0 HA TRP A 57 7.837 8.375 -4.407 1.00 0.00 H new ATOM 0 HB2 TRP A 57 5.363 7.351 -5.770 1.00 0.00 H new ATOM 0 HB3 TRP A 57 5.421 8.839 -4.846 1.00 0.00 H new ATOM 0 HD1 TRP A 57 8.670 8.729 -6.497 1.00 0.00 H new ATOM 0 HE1 TRP A 57 8.752 10.089 -8.703 1.00 0.00 H new ATOM 0 HE3 TRP A 57 3.663 9.238 -7.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 6.837 11.229 -10.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 2.853 10.490 -9.082 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.351 11.467 -10.733 1.00 0.00 H new ATOM 860 N LEU A 58 6.618 8.019 -2.251 1.00 0.00 N ATOM 861 CA LEU A 58 6.159 7.713 -0.906 1.00 0.00 C ATOM 862 C LEU A 58 4.685 8.100 -0.775 1.00 0.00 C ATOM 863 O LEU A 58 4.299 9.216 -1.122 1.00 0.00 O ATOM 864 CB LEU A 58 7.064 8.377 0.133 1.00 0.00 C ATOM 865 CG LEU A 58 6.542 8.383 1.571 1.00 0.00 C ATOM 866 CD1 LEU A 58 5.410 9.399 1.739 1.00 0.00 C ATOM 867 CD2 LEU A 58 6.122 6.978 2.008 1.00 0.00 C ATOM 0 H LEU A 58 6.932 8.980 -2.386 1.00 0.00 H new ATOM 0 HA LEU A 58 6.226 6.642 -0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.030 7.872 0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.239 9.408 -0.173 1.00 0.00 H new ATOM 0 HG LEU A 58 7.354 8.695 2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.057 9.383 2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.777 10.396 1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.588 9.142 1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.755 7.011 3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.332 6.614 1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.980 6.308 1.951 1.00 0.00 H new ATOM 879 N ILE A 59 3.901 7.158 -0.274 1.00 0.00 N ATOM 880 CA ILE A 59 2.477 7.386 -0.093 1.00 0.00 C ATOM 881 C ILE A 59 2.060 6.903 1.297 1.00 0.00 C ATOM 882 O ILE A 59 2.772 6.121 1.926 1.00 0.00 O ATOM 883 CB ILE A 59 1.682 6.744 -1.231 1.00 0.00 C ATOM 884 CG1 ILE A 59 1.834 5.222 -1.216 1.00 0.00 C ATOM 885 CG2 ILE A 59 2.076 7.346 -2.582 1.00 0.00 C ATOM 886 CD1 ILE A 59 1.066 4.606 -0.045 1.00 0.00 C ATOM 0 H ILE A 59 4.225 6.234 0.013 1.00 0.00 H new ATOM 0 HA ILE A 59 2.253 8.452 -0.141 1.00 0.00 H new ATOM 0 HB ILE A 59 0.626 6.963 -1.076 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.467 4.807 -2.155 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.889 4.959 -1.142 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.496 6.872 -3.374 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.874 8.417 -2.576 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.138 7.178 -2.759 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.191 3.523 -0.058 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.452 5.005 0.893 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.008 4.850 -0.135 1.00 0.00 H new ATOM 898 N ASP A 60 0.908 7.387 1.737 1.00 0.00 N ATOM 899 CA ASP A 60 0.388 7.014 3.041 1.00 0.00 C ATOM 900 C ASP A 60 -0.889 6.190 2.859 1.00 0.00 C ATOM 901 O ASP A 60 -1.810 6.613 2.162 1.00 0.00 O ATOM 902 CB ASP A 60 0.038 8.252 3.869 1.00 0.00 C ATOM 903 CG ASP A 60 0.296 8.119 5.371 1.00 0.00 C ATOM 904 OD1 ASP A 60 -0.217 7.138 5.951 1.00 0.00 O ATOM 905 OD2 ASP A 60 1.002 9.002 5.906 1.00 0.00 O ATOM 0 H ASP A 60 0.320 8.035 1.213 1.00 0.00 H new ATOM 0 HA ASP A 60 1.156 6.439 3.559 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.612 9.098 3.491 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.015 8.487 3.716 1.00 0.00 H new ATOM 910 N ASN A 61 -0.903 5.030 3.499 1.00 0.00 N ATOM 911 CA ASN A 61 -2.051 4.144 3.417 1.00 0.00 C ATOM 912 C ASN A 61 -2.989 4.422 4.593 1.00 0.00 C ATOM 913 O ASN A 61 -3.531 3.494 5.192 1.00 0.00 O ATOM 914 CB ASN A 61 -1.621 2.677 3.491 1.00 0.00 C ATOM 915 CG ASN A 61 -1.083 2.333 4.882 1.00 0.00 C ATOM 916 OD1 ASN A 61 -0.717 3.195 5.664 1.00 0.00 O ATOM 917 ND2 ASN A 61 -1.056 1.030 5.144 1.00 0.00 N ATOM 0 H ASN A 61 -0.137 4.683 4.077 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.550 4.326 2.465 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.469 2.033 3.256 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.854 2.481 2.742 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.714 0.698 6.046 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.378 0.362 4.443 1.00 0.00 H new ATOM 924 N GLY A 62 -3.154 5.703 4.887 1.00 0.00 N ATOM 925 CA GLY A 62 -4.017 6.115 5.981 1.00 0.00 C ATOM 926 C GLY A 62 -3.692 5.339 7.259 1.00 0.00 C ATOM 927 O GLY A 62 -4.545 5.187 8.131 1.00 0.00 O ATOM 0 H GLY A 62 -2.705 6.470 4.386 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.898 7.184 6.160 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.059 5.952 5.708 1.00 0.00 H new ATOM 931 N VAL A 63 -2.455 4.869 7.329 1.00 0.00 N ATOM 932 CA VAL A 63 -2.006 4.113 8.485 1.00 0.00 C ATOM 933 C VAL A 63 -0.526 4.410 8.740 1.00 0.00 C ATOM 934 O VAL A 63 -0.137 4.723 9.864 1.00 0.00 O ATOM 935 CB VAL A 63 -2.290 2.624 8.280 1.00 0.00 C ATOM 936 CG1 VAL A 63 -1.726 1.794 9.434 1.00 0.00 C ATOM 937 CG2 VAL A 63 -3.788 2.371 8.103 1.00 0.00 C ATOM 0 H VAL A 63 -1.750 4.997 6.603 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.557 4.415 9.376 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.787 2.310 7.365 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.942 0.739 9.263 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.647 1.939 9.493 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.186 2.112 10.370 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.962 1.305 7.959 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.322 2.709 8.991 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.149 2.918 7.232 1.00 0.00 H new ATOM 947 N THR A 64 0.258 4.301 7.677 1.00 0.00 N ATOM 948 CA THR A 64 1.685 4.553 7.772 1.00 0.00 C ATOM 949 C THR A 64 2.222 5.085 6.442 1.00 0.00 C ATOM 950 O THR A 64 1.449 5.455 5.560 1.00 0.00 O ATOM 951 CB THR A 64 2.365 3.261 8.228 1.00 0.00 C ATOM 952 OG1 THR A 64 3.688 3.666 8.569 1.00 0.00 O ATOM 953 CG2 THR A 64 2.564 2.267 7.081 1.00 0.00 C ATOM 0 H THR A 64 -0.069 4.042 6.746 1.00 0.00 H new ATOM 0 HA THR A 64 1.901 5.328 8.508 1.00 0.00 H new ATOM 0 HB THR A 64 1.769 2.795 9.013 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.199 2.889 8.877 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.050 1.368 7.459 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.596 2.004 6.655 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.188 2.720 6.311 1.00 0.00 H new ATOM 961 N LYS A 65 3.543 5.107 6.339 1.00 0.00 N ATOM 962 CA LYS A 65 4.192 5.588 5.131 1.00 0.00 C ATOM 963 C LYS A 65 4.841 4.409 4.403 1.00 0.00 C ATOM 964 O LYS A 65 5.701 3.728 4.960 1.00 0.00 O ATOM 965 CB LYS A 65 5.167 6.719 5.461 1.00 0.00 C ATOM 966 CG LYS A 65 4.521 8.086 5.226 1.00 0.00 C ATOM 967 CD LYS A 65 5.205 9.168 6.063 1.00 0.00 C ATOM 968 CE LYS A 65 4.203 10.238 6.501 1.00 0.00 C ATOM 969 NZ LYS A 65 4.847 11.207 7.417 1.00 0.00 N ATOM 0 H LYS A 65 4.182 4.799 7.073 1.00 0.00 H new ATOM 0 HA LYS A 65 3.459 6.020 4.450 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.486 6.637 6.500 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.061 6.625 4.845 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.584 8.345 4.169 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.462 8.040 5.480 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.667 8.716 6.941 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.005 9.629 5.484 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.813 10.759 5.627 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.354 9.768 6.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.153 11.926 7.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.198 10.708 8.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.643 11.668 6.931 1.00 0.00 H new ATOM 983 N GLY A 66 4.405 4.205 3.169 1.00 0.00 N ATOM 984 CA GLY A 66 4.933 3.120 2.358 1.00 0.00 C ATOM 985 C GLY A 66 5.397 3.632 0.993 1.00 0.00 C ATOM 986 O GLY A 66 4.760 4.503 0.403 1.00 0.00 O ATOM 0 H GLY A 66 3.692 4.772 2.710 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.767 2.647 2.876 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.167 2.356 2.223 1.00 0.00 H new ATOM 990 N PHE A 67 6.504 3.068 0.531 1.00 0.00 N ATOM 991 CA PHE A 67 7.061 3.457 -0.754 1.00 0.00 C ATOM 992 C PHE A 67 6.660 2.465 -1.848 1.00 0.00 C ATOM 993 O PHE A 67 6.966 1.277 -1.756 1.00 0.00 O ATOM 994 CB PHE A 67 8.584 3.443 -0.603 1.00 0.00 C ATOM 995 CG PHE A 67 9.149 4.672 0.112 1.00 0.00 C ATOM 996 CD1 PHE A 67 8.718 4.988 1.363 1.00 0.00 C ATOM 997 CD2 PHE A 67 10.083 5.447 -0.501 1.00 0.00 C ATOM 998 CE1 PHE A 67 9.242 6.128 2.027 1.00 0.00 C ATOM 999 CE2 PHE A 67 10.608 6.586 0.163 1.00 0.00 C ATOM 1000 CZ PHE A 67 10.176 6.903 1.413 1.00 0.00 C ATOM 0 H PHE A 67 7.030 2.345 1.023 1.00 0.00 H new ATOM 0 HA PHE A 67 6.689 4.441 -1.039 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.876 2.549 -0.053 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.036 3.371 -1.592 1.00 0.00 H new ATOM 0 HD1 PHE A 67 7.977 4.372 1.851 1.00 0.00 H new ATOM 0 HD2 PHE A 67 10.426 5.196 -1.494 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.899 6.380 3.020 1.00 0.00 H new ATOM 0 HE2 PHE A 67 11.350 7.201 -0.324 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.575 7.770 1.918 1.00 0.00 H new ATOM 1010 N VAL A 68 5.981 2.990 -2.857 1.00 0.00 N ATOM 1011 CA VAL A 68 5.534 2.165 -3.967 1.00 0.00 C ATOM 1012 C VAL A 68 5.769 2.915 -5.280 1.00 0.00 C ATOM 1013 O VAL A 68 5.698 4.143 -5.320 1.00 0.00 O ATOM 1014 CB VAL A 68 4.073 1.760 -3.764 1.00 0.00 C ATOM 1015 CG1 VAL A 68 3.912 0.905 -2.505 1.00 0.00 C ATOM 1016 CG2 VAL A 68 3.165 2.990 -3.712 1.00 0.00 C ATOM 0 H VAL A 68 5.729 3.976 -2.929 1.00 0.00 H new ATOM 0 HA VAL A 68 6.110 1.241 -4.012 1.00 0.00 H new ATOM 0 HB VAL A 68 3.770 1.157 -4.620 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.864 0.630 -2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.515 0.002 -2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.242 1.473 -1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.132 2.674 -3.567 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.468 3.631 -2.884 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.247 3.543 -4.648 1.00 0.00 H new ATOM 1026 N TYR A 69 6.044 2.146 -6.323 1.00 0.00 N ATOM 1027 CA TYR A 69 6.290 2.722 -7.634 1.00 0.00 C ATOM 1028 C TYR A 69 4.981 3.160 -8.294 1.00 0.00 C ATOM 1029 O TYR A 69 4.042 2.373 -8.403 1.00 0.00 O ATOM 1030 CB TYR A 69 6.922 1.609 -8.472 1.00 0.00 C ATOM 1031 CG TYR A 69 8.419 1.418 -8.225 1.00 0.00 C ATOM 1032 CD1 TYR A 69 8.952 1.676 -6.978 1.00 0.00 C ATOM 1033 CD2 TYR A 69 9.238 0.987 -9.250 1.00 0.00 C ATOM 1034 CE1 TYR A 69 10.361 1.496 -6.746 1.00 0.00 C ATOM 1035 CE2 TYR A 69 10.648 0.808 -9.017 1.00 0.00 C ATOM 1036 CZ TYR A 69 11.140 1.071 -7.777 1.00 0.00 C ATOM 1037 OH TYR A 69 12.471 0.901 -7.557 1.00 0.00 O ATOM 0 H TYR A 69 6.102 1.128 -6.287 1.00 0.00 H new ATOM 0 HA TYR A 69 6.931 3.600 -7.553 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.407 0.672 -8.261 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.764 1.829 -9.528 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.312 2.013 -6.176 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.821 0.784 -10.226 1.00 0.00 H new ATOM 0 HE1 TYR A 69 10.790 1.694 -5.775 1.00 0.00 H new ATOM 0 HE2 TYR A 69 11.300 0.472 -9.810 1.00 0.00 H new ATOM 0 HH TYR A 69 12.902 0.593 -8.381 1.00 0.00 H new ATOM 1047 N SER A 70 4.961 4.415 -8.718 1.00 0.00 N ATOM 1048 CA SER A 70 3.783 4.968 -9.365 1.00 0.00 C ATOM 1049 C SER A 70 3.149 3.921 -10.283 1.00 0.00 C ATOM 1050 O SER A 70 1.937 3.923 -10.490 1.00 0.00 O ATOM 1051 CB SER A 70 4.130 6.229 -10.159 1.00 0.00 C ATOM 1052 OG SER A 70 5.249 6.027 -11.019 1.00 0.00 O ATOM 0 H SER A 70 5.742 5.065 -8.626 1.00 0.00 H new ATOM 0 HA SER A 70 3.067 5.245 -8.591 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.267 6.533 -10.752 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.346 7.044 -9.469 1.00 0.00 H new ATOM 0 HG SER A 70 5.438 6.854 -11.510 1.00 0.00 H new ATOM 1058 N SER A 71 3.999 3.050 -10.808 1.00 0.00 N ATOM 1059 CA SER A 71 3.537 1.999 -11.699 1.00 0.00 C ATOM 1060 C SER A 71 2.421 1.197 -11.028 1.00 0.00 C ATOM 1061 O SER A 71 1.371 0.965 -11.627 1.00 0.00 O ATOM 1062 CB SER A 71 4.687 1.073 -12.101 1.00 0.00 C ATOM 1063 OG SER A 71 4.607 0.686 -13.470 1.00 0.00 O ATOM 0 H SER A 71 5.004 3.051 -10.634 1.00 0.00 H new ATOM 0 HA SER A 71 3.147 2.465 -12.604 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.637 1.576 -11.921 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.673 0.183 -11.471 1.00 0.00 H new ATOM 0 HG SER A 71 5.359 0.097 -13.688 1.00 0.00 H new ATOM 1069 N PHE A 72 2.685 0.794 -9.793 1.00 0.00 N ATOM 1070 CA PHE A 72 1.715 0.023 -9.034 1.00 0.00 C ATOM 1071 C PHE A 72 0.554 0.905 -8.572 1.00 0.00 C ATOM 1072 O PHE A 72 -0.390 0.419 -7.949 1.00 0.00 O ATOM 1073 CB PHE A 72 2.443 -0.527 -7.806 1.00 0.00 C ATOM 1074 CG PHE A 72 3.254 -1.795 -8.079 1.00 0.00 C ATOM 1075 CD1 PHE A 72 4.550 -1.700 -8.480 1.00 0.00 C ATOM 1076 CD2 PHE A 72 2.680 -3.017 -7.920 1.00 0.00 C ATOM 1077 CE1 PHE A 72 5.303 -2.877 -8.734 1.00 0.00 C ATOM 1078 CE2 PHE A 72 3.432 -4.194 -8.173 1.00 0.00 C ATOM 1079 CZ PHE A 72 4.728 -4.099 -8.575 1.00 0.00 C ATOM 0 H PHE A 72 3.557 0.987 -9.300 1.00 0.00 H new ATOM 0 HA PHE A 72 1.305 -0.774 -9.655 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.111 0.242 -7.417 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.711 -0.737 -7.026 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.007 -0.729 -8.605 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.651 -3.092 -7.601 1.00 0.00 H new ATOM 0 HE1 PHE A 72 6.332 -2.802 -9.053 1.00 0.00 H new ATOM 0 HE2 PHE A 72 2.975 -5.164 -8.046 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.300 -4.994 -8.768 1.00 0.00 H new ATOM 1089 N LEU A 73 0.660 2.186 -8.894 1.00 0.00 N ATOM 1090 CA LEU A 73 -0.369 3.140 -8.519 1.00 0.00 C ATOM 1091 C LEU A 73 -1.022 3.702 -9.783 1.00 0.00 C ATOM 1092 O LEU A 73 -0.422 3.682 -10.857 1.00 0.00 O ATOM 1093 CB LEU A 73 0.207 4.214 -7.595 1.00 0.00 C ATOM 1094 CG LEU A 73 0.819 3.714 -6.285 1.00 0.00 C ATOM 1095 CD1 LEU A 73 1.679 4.799 -5.632 1.00 0.00 C ATOM 1096 CD2 LEU A 73 -0.263 3.194 -5.337 1.00 0.00 C ATOM 0 H LEU A 73 1.444 2.585 -9.411 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.154 2.647 -7.946 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.971 4.765 -8.143 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.586 4.922 -7.355 1.00 0.00 H new ATOM 0 HG LEU A 73 1.477 2.875 -6.514 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.102 4.418 -4.703 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.485 5.081 -6.309 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.063 5.672 -5.419 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.199 2.845 -4.414 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.965 3.997 -5.110 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.796 2.369 -5.810 1.00 0.00 H new ATOM 1108 N LYS A 74 -2.242 4.189 -9.614 1.00 0.00 N ATOM 1109 CA LYS A 74 -2.983 4.756 -10.728 1.00 0.00 C ATOM 1110 C LYS A 74 -3.602 6.088 -10.299 1.00 0.00 C ATOM 1111 O LYS A 74 -3.981 6.256 -9.141 1.00 0.00 O ATOM 1112 CB LYS A 74 -4.003 3.747 -11.261 1.00 0.00 C ATOM 1113 CG LYS A 74 -4.899 3.226 -10.136 1.00 0.00 C ATOM 1114 CD LYS A 74 -6.321 3.774 -10.268 1.00 0.00 C ATOM 1115 CE LYS A 74 -7.243 2.752 -10.935 1.00 0.00 C ATOM 1116 NZ LYS A 74 -8.478 3.407 -11.421 1.00 0.00 N ATOM 0 H LYS A 74 -2.736 4.203 -8.722 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.314 4.969 -11.561 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.616 4.216 -12.031 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.483 2.913 -11.732 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.922 2.136 -10.160 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.482 3.515 -9.171 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.709 4.030 -9.282 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.307 4.693 -10.854 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.725 2.275 -11.768 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.497 1.965 -10.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.093 2.699 -11.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.979 3.841 -10.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.231 4.142 -12.114 1.00 0.00 H new ATOM 1130 N PRO A 75 -3.687 7.025 -11.281 1.00 0.00 N ATOM 1131 CA PRO A 75 -4.253 8.336 -11.017 1.00 0.00 C ATOM 1132 C PRO A 75 -5.778 8.264 -10.906 1.00 0.00 C ATOM 1133 O PRO A 75 -6.477 8.255 -11.918 1.00 0.00 O ATOM 1134 CB PRO A 75 -3.783 9.208 -12.170 1.00 0.00 C ATOM 1135 CG PRO A 75 -3.362 8.249 -13.272 1.00 0.00 C ATOM 1136 CD PRO A 75 -3.249 6.860 -12.664 1.00 0.00 C ATOM 0 HA PRO A 75 -3.926 8.750 -10.063 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.580 9.869 -12.510 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.951 9.843 -11.866 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.092 8.253 -14.081 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.409 8.556 -13.702 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.875 6.143 -13.195 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.226 6.488 -12.714 1.00 0.00 H new ATOM 1144 N TYR A 76 -6.247 8.213 -9.669 1.00 0.00 N ATOM 1145 CA TYR A 76 -7.676 8.141 -9.412 1.00 0.00 C ATOM 1146 C TYR A 76 -8.405 9.334 -10.034 1.00 0.00 C ATOM 1147 O TYR A 76 -7.779 10.197 -10.648 1.00 0.00 O ATOM 1148 CB TYR A 76 -7.835 8.198 -7.892 1.00 0.00 C ATOM 1149 CG TYR A 76 -9.231 7.813 -7.397 1.00 0.00 C ATOM 1150 CD1 TYR A 76 -9.674 6.512 -7.526 1.00 0.00 C ATOM 1151 CD2 TYR A 76 -10.047 8.766 -6.823 1.00 0.00 C ATOM 1152 CE1 TYR A 76 -10.987 6.150 -7.061 1.00 0.00 C ATOM 1153 CE2 TYR A 76 -11.360 8.404 -6.358 1.00 0.00 C ATOM 1154 CZ TYR A 76 -11.766 7.113 -6.500 1.00 0.00 C ATOM 1155 OH TYR A 76 -13.007 6.771 -6.060 1.00 0.00 O ATOM 0 H TYR A 76 -5.663 8.220 -8.833 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.098 7.233 -9.842 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.102 7.533 -7.435 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.605 9.207 -7.551 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.036 5.766 -7.976 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.700 9.784 -6.723 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.346 5.136 -7.156 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.008 9.140 -5.907 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.449 7.560 -5.682 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.718 9.343 -9.855 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.539 10.416 -10.391 1.00 0.00 C ATOM 1167 C ASN A 77 -11.940 10.333 -9.781 1.00 0.00 C ATOM 1168 O ASN A 77 -12.806 9.630 -10.300 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.676 10.297 -11.910 1.00 0.00 C ATOM 1170 CG ASN A 77 -9.540 11.033 -12.622 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -9.352 12.230 -12.476 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -8.794 10.254 -13.400 1.00 0.00 N ATOM 0 H ASN A 77 -10.234 8.625 -9.347 1.00 0.00 H new ATOM 0 HA ASN A 77 -10.060 11.364 -10.145 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.670 9.246 -12.198 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -11.635 10.708 -12.226 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.011 10.651 -13.919 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -9.005 9.259 -13.478 1.00 0.00 H new