USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 520 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 39 ASN : amide:sc= 1.78 K(o=-0.11,f=-1.8) USER MOD Set 1.2: A 41 ASN : amide:sc= -1.89! K(o=-0.11!,f=1.1) USER MOD Set 2.1: A 8 TYR OH : rot 180:sc= 0.1 USER MOD Set 2.2: A 51 GLN : amide:sc= 0.0966 K(o=0.2,f=-1.4) USER MOD Set 3.1: A 7 THR OG1 : rot -128:sc= 1.14 USER MOD Set 3.2: A 65 TYR OH : rot 159:sc= 1.74 USER MOD Single : A 6 THR OG1 : rot -3:sc= 0.542 USER MOD Single : A 9 TYR OH : rot -38:sc= 1.02 USER MOD Single : A 15 LYS NZ :NH3+ -178:sc= 1.15 (180deg=1.15) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 20 GLN : amide:sc= -0.755 K(o=-0.76,f=-0.13) USER MOD Single : A 24 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.0334) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.0548 K(o=-0.055,f=-0.74) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -111:sc= 1.23 (180deg=0.0453) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 90:sc= 1.2 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 146:sc= -0.0249 (180deg=-0.782) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 78 N THR A 6 11.224 -1.564 3.182 1.00 0.00 N ATOM 79 CA THR A 6 10.151 -2.488 3.525 1.00 0.00 C ATOM 80 C THR A 6 9.331 -2.794 2.278 1.00 0.00 C ATOM 81 O THR A 6 9.205 -1.948 1.383 1.00 0.00 O ATOM 82 CB THR A 6 9.198 -1.906 4.597 1.00 0.00 C ATOM 83 OG1 THR A 6 9.459 -0.556 4.927 1.00 0.00 O ATOM 84 CG2 THR A 6 9.219 -2.766 5.853 1.00 0.00 C ATOM 0 HA THR A 6 10.615 -3.388 3.927 1.00 0.00 H new ATOM 0 HB THR A 6 8.204 -1.923 4.150 1.00 0.00 H new ATOM 0 HG1 THR A 6 10.244 -0.244 4.430 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.543 -2.342 6.596 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.898 -3.778 5.606 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.231 -2.795 6.257 1.00 0.00 H new ATOM 92 N THR A 7 8.682 -3.953 2.279 1.00 0.00 N ATOM 93 CA THR A 7 7.714 -4.334 1.276 1.00 0.00 C ATOM 94 C THR A 7 6.487 -3.416 1.297 1.00 0.00 C ATOM 95 O THR A 7 6.294 -2.555 2.159 1.00 0.00 O ATOM 96 CB THR A 7 7.348 -5.808 1.489 1.00 0.00 C ATOM 97 OG1 THR A 7 6.767 -6.376 0.341 1.00 0.00 O ATOM 98 CG2 THR A 7 6.376 -6.000 2.651 1.00 0.00 C ATOM 0 H THR A 7 8.823 -4.665 2.996 1.00 0.00 H new ATOM 0 HA THR A 7 8.147 -4.218 0.283 1.00 0.00 H new ATOM 0 HB THR A 7 8.289 -6.309 1.714 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.922 -6.809 0.582 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.147 -7.060 2.762 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.829 -5.628 3.570 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.457 -5.449 2.451 1.00 0.00 H new ATOM 106 N TYR A 8 5.609 -3.687 0.342 1.00 0.00 N ATOM 107 CA TYR A 8 4.422 -2.904 0.021 1.00 0.00 C ATOM 108 C TYR A 8 3.325 -2.949 1.085 1.00 0.00 C ATOM 109 O TYR A 8 2.539 -2.008 1.192 1.00 0.00 O ATOM 110 CB TYR A 8 3.907 -3.401 -1.332 1.00 0.00 C ATOM 111 CG TYR A 8 4.871 -3.143 -2.472 1.00 0.00 C ATOM 112 CD1 TYR A 8 5.449 -1.872 -2.649 1.00 0.00 C ATOM 113 CD2 TYR A 8 5.193 -4.185 -3.357 1.00 0.00 C ATOM 114 CE1 TYR A 8 6.322 -1.632 -3.721 1.00 0.00 C ATOM 115 CE2 TYR A 8 6.068 -3.957 -4.436 1.00 0.00 C ATOM 116 CZ TYR A 8 6.655 -2.682 -4.607 1.00 0.00 C ATOM 117 OH TYR A 8 7.517 -2.434 -5.633 1.00 0.00 O ATOM 0 H TYR A 8 5.710 -4.502 -0.263 1.00 0.00 H new ATOM 0 HA TYR A 8 4.705 -1.852 -0.017 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.710 -4.471 -1.267 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.957 -2.915 -1.552 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.219 -1.077 -1.956 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.767 -5.166 -3.209 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.739 -0.647 -3.869 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.290 -4.753 -5.131 1.00 0.00 H new ATOM 0 HH TYR A 8 7.649 -3.253 -6.155 1.00 0.00 H new ATOM 127 N TYR A 9 3.266 -4.004 1.895 1.00 0.00 N ATOM 128 CA TYR A 9 2.314 -4.085 2.997 1.00 0.00 C ATOM 129 C TYR A 9 2.572 -2.992 4.037 1.00 0.00 C ATOM 130 O TYR A 9 1.634 -2.302 4.438 1.00 0.00 O ATOM 131 CB TYR A 9 2.409 -5.461 3.656 1.00 0.00 C ATOM 132 CG TYR A 9 1.706 -6.583 2.915 1.00 0.00 C ATOM 133 CD1 TYR A 9 0.303 -6.664 2.961 1.00 0.00 C ATOM 134 CD2 TYR A 9 2.438 -7.594 2.269 1.00 0.00 C ATOM 135 CE1 TYR A 9 -0.365 -7.754 2.385 1.00 0.00 C ATOM 136 CE2 TYR A 9 1.776 -8.689 1.684 1.00 0.00 C ATOM 137 CZ TYR A 9 0.369 -8.777 1.746 1.00 0.00 C ATOM 138 OH TYR A 9 -0.287 -9.852 1.233 1.00 0.00 O ATOM 0 H TYR A 9 3.872 -4.820 1.806 1.00 0.00 H new ATOM 0 HA TYR A 9 1.312 -3.937 2.594 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.462 -5.722 3.764 1.00 0.00 H new ATOM 0 HB3 TYR A 9 1.992 -5.394 4.661 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -0.264 -5.881 3.443 1.00 0.00 H new ATOM 0 HD2 TYR A 9 3.515 -7.530 2.221 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.443 -7.811 2.430 1.00 0.00 H new ATOM 0 HE2 TYR A 9 2.344 -9.462 1.188 1.00 0.00 H new ATOM 0 HH TYR A 9 -1.020 -10.104 1.832 1.00 0.00 H new ATOM 148 N ASP A 10 3.829 -2.822 4.462 1.00 0.00 N ATOM 149 CA ASP A 10 4.149 -1.971 5.607 1.00 0.00 C ATOM 150 C ASP A 10 3.901 -0.491 5.280 1.00 0.00 C ATOM 151 O ASP A 10 3.614 0.288 6.196 1.00 0.00 O ATOM 152 CB ASP A 10 5.587 -2.225 6.106 1.00 0.00 C ATOM 153 CG ASP A 10 5.678 -3.337 7.167 1.00 0.00 C ATOM 154 OD1 ASP A 10 5.012 -3.187 8.228 1.00 0.00 O ATOM 155 OD2 ASP A 10 6.413 -4.324 6.960 1.00 0.00 O ATOM 0 H ASP A 10 4.640 -3.264 4.028 1.00 0.00 H new ATOM 0 HA ASP A 10 3.478 -2.235 6.425 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.217 -2.491 5.257 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.988 -1.301 6.523 1.00 0.00 H new ATOM 160 N VAL A 11 3.912 -0.116 3.991 1.00 0.00 N ATOM 161 CA VAL A 11 3.466 1.180 3.469 1.00 0.00 C ATOM 162 C VAL A 11 1.997 1.395 3.810 1.00 0.00 C ATOM 163 O VAL A 11 1.607 2.457 4.303 1.00 0.00 O ATOM 164 CB VAL A 11 3.688 1.239 1.936 1.00 0.00 C ATOM 165 CG1 VAL A 11 3.075 2.494 1.290 1.00 0.00 C ATOM 166 CG2 VAL A 11 5.175 1.168 1.575 1.00 0.00 C ATOM 0 H VAL A 11 4.247 -0.737 3.254 1.00 0.00 H new ATOM 0 HA VAL A 11 4.050 1.976 3.931 1.00 0.00 H new ATOM 0 HB VAL A 11 3.175 0.364 1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.263 2.479 0.216 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.000 2.508 1.470 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.527 3.385 1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.289 1.212 0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.700 2.008 2.030 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.595 0.233 1.946 1.00 0.00 H new ATOM 176 N LEU A 12 1.164 0.386 3.560 1.00 0.00 N ATOM 177 CA LEU A 12 -0.262 0.400 3.863 1.00 0.00 C ATOM 178 C LEU A 12 -0.516 0.210 5.362 1.00 0.00 C ATOM 179 O LEU A 12 -1.660 0.033 5.791 1.00 0.00 O ATOM 180 CB LEU A 12 -0.970 -0.651 2.987 1.00 0.00 C ATOM 181 CG LEU A 12 -1.119 -0.144 1.542 1.00 0.00 C ATOM 182 CD1 LEU A 12 -1.308 -1.284 0.543 1.00 0.00 C ATOM 183 CD2 LEU A 12 -2.330 0.786 1.441 1.00 0.00 C ATOM 0 H LEU A 12 1.473 -0.486 3.130 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.684 1.376 3.622 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.401 -1.581 2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.953 -0.875 3.402 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.197 0.383 1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.408 -0.874 -0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.444 -1.947 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.207 -1.845 0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.431 1.142 0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.231 0.243 1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.192 1.637 2.109 1.00 0.00 H new ATOM 195 N GLY A 13 0.540 0.257 6.181 1.00 0.00 N ATOM 196 CA GLY A 13 0.458 0.186 7.623 1.00 0.00 C ATOM 197 C GLY A 13 -0.062 -1.155 8.113 1.00 0.00 C ATOM 198 O GLY A 13 -0.394 -1.262 9.295 1.00 0.00 O ATOM 0 H GLY A 13 1.496 0.348 5.838 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.445 0.366 8.049 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.195 0.979 7.986 1.00 0.00 H new ATOM 202 N VAL A 14 -0.168 -2.151 7.232 1.00 0.00 N ATOM 203 CA VAL A 14 -0.521 -3.510 7.572 1.00 0.00 C ATOM 204 C VAL A 14 0.769 -4.314 7.606 1.00 0.00 C ATOM 205 O VAL A 14 1.704 -4.074 6.844 1.00 0.00 O ATOM 206 CB VAL A 14 -1.546 -4.103 6.583 1.00 0.00 C ATOM 207 CG1 VAL A 14 -2.953 -3.554 6.834 1.00 0.00 C ATOM 208 CG2 VAL A 14 -1.188 -3.888 5.109 1.00 0.00 C ATOM 0 H VAL A 14 -0.003 -2.019 6.234 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.010 -3.541 8.546 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.521 -5.176 6.774 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.648 -3.994 6.119 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.267 -3.806 7.847 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.947 -2.471 6.715 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.958 -4.334 4.479 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.124 -2.820 4.902 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.228 -4.357 4.896 1.00 0.00 H new ATOM 218 N LYS A 15 0.792 -5.319 8.470 1.00 0.00 N ATOM 219 CA LYS A 15 1.866 -6.293 8.489 1.00 0.00 C ATOM 220 C LYS A 15 1.984 -7.005 7.134 1.00 0.00 C ATOM 221 O LYS A 15 0.973 -7.185 6.451 1.00 0.00 O ATOM 222 CB LYS A 15 1.677 -7.263 9.663 1.00 0.00 C ATOM 223 CG LYS A 15 0.249 -7.646 10.075 1.00 0.00 C ATOM 224 CD LYS A 15 -0.633 -8.191 8.952 1.00 0.00 C ATOM 225 CE LYS A 15 -2.019 -8.622 9.443 1.00 0.00 C ATOM 226 NZ LYS A 15 -2.100 -10.056 9.784 1.00 0.00 N ATOM 0 H LYS A 15 0.070 -5.479 9.172 1.00 0.00 H new ATOM 0 HA LYS A 15 2.815 -5.781 8.647 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.210 -8.183 9.422 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.168 -6.829 10.534 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.305 -8.394 10.866 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.236 -6.768 10.501 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.746 -7.428 8.182 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.136 -9.042 8.486 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.285 -8.032 10.320 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.756 -8.397 8.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.071 -10.289 10.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.842 -10.626 8.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.444 -10.265 10.564 1.00 0.00 H new ATOM 240 N PRO A 16 3.162 -7.550 6.797 1.00 0.00 N ATOM 241 CA PRO A 16 3.413 -8.314 5.573 1.00 0.00 C ATOM 242 C PRO A 16 2.643 -9.636 5.437 1.00 0.00 C ATOM 243 O PRO A 16 2.853 -10.390 4.489 1.00 0.00 O ATOM 244 CB PRO A 16 4.926 -8.496 5.519 1.00 0.00 C ATOM 245 CG PRO A 16 5.363 -8.379 6.974 1.00 0.00 C ATOM 246 CD PRO A 16 4.409 -7.332 7.516 1.00 0.00 C ATOM 0 HA PRO A 16 3.028 -7.762 4.716 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.197 -9.464 5.097 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.398 -7.735 4.898 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.270 -9.327 7.504 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.403 -8.066 7.062 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.269 -7.444 8.591 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.791 -6.325 7.347 1.00 0.00 H new ATOM 254 N ASN A 17 1.759 -9.936 6.382 1.00 0.00 N ATOM 255 CA ASN A 17 0.914 -11.114 6.454 1.00 0.00 C ATOM 256 C ASN A 17 -0.563 -10.696 6.502 1.00 0.00 C ATOM 257 O ASN A 17 -1.321 -11.210 7.328 1.00 0.00 O ATOM 258 CB ASN A 17 1.349 -11.941 7.672 1.00 0.00 C ATOM 259 CG ASN A 17 2.693 -12.620 7.456 1.00 0.00 C ATOM 260 OD1 ASN A 17 2.853 -13.443 6.560 1.00 0.00 O ATOM 261 ND2 ASN A 17 3.698 -12.289 8.246 1.00 0.00 N ATOM 0 H ASN A 17 1.606 -9.313 7.175 1.00 0.00 H new ATOM 0 HA ASN A 17 1.024 -11.738 5.567 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.408 -11.293 8.547 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.592 -12.696 7.885 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.614 -12.718 8.113 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.559 -11.604 8.989 1.00 0.00 H new ATOM 268 N ALA A 18 -0.960 -9.688 5.714 1.00 0.00 N ATOM 269 CA ALA A 18 -2.356 -9.280 5.535 1.00 0.00 C ATOM 270 C ALA A 18 -2.902 -9.848 4.221 1.00 0.00 C ATOM 271 O ALA A 18 -2.141 -10.126 3.289 1.00 0.00 O ATOM 272 CB ALA A 18 -2.443 -7.751 5.541 1.00 0.00 C ATOM 0 H ALA A 18 -0.305 -9.123 5.173 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.960 -9.671 6.354 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.481 -7.445 5.408 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.071 -7.369 6.492 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.839 -7.349 4.727 1.00 0.00 H new ATOM 278 N THR A 19 -4.218 -10.003 4.127 1.00 0.00 N ATOM 279 CA THR A 19 -4.910 -10.562 2.974 1.00 0.00 C ATOM 280 C THR A 19 -5.285 -9.482 1.943 1.00 0.00 C ATOM 281 O THR A 19 -5.147 -8.279 2.180 1.00 0.00 O ATOM 282 CB THR A 19 -6.137 -11.352 3.483 1.00 0.00 C ATOM 283 OG1 THR A 19 -6.705 -10.746 4.611 1.00 0.00 O ATOM 284 CG2 THR A 19 -5.752 -12.779 3.884 1.00 0.00 C ATOM 0 H THR A 19 -4.853 -9.733 4.878 1.00 0.00 H new ATOM 0 HA THR A 19 -4.245 -11.241 2.440 1.00 0.00 H new ATOM 0 HB THR A 19 -6.851 -11.365 2.660 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.479 -11.268 4.908 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.637 -13.309 4.238 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.338 -13.300 3.021 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.007 -12.745 4.679 1.00 0.00 H new ATOM 292 N GLN A 20 -5.796 -9.923 0.787 1.00 0.00 N ATOM 293 CA GLN A 20 -6.361 -9.084 -0.278 1.00 0.00 C ATOM 294 C GLN A 20 -7.380 -8.086 0.295 1.00 0.00 C ATOM 295 O GLN A 20 -7.429 -6.920 -0.094 1.00 0.00 O ATOM 296 CB GLN A 20 -7.066 -9.977 -1.314 1.00 0.00 C ATOM 297 CG GLN A 20 -6.202 -11.124 -1.861 1.00 0.00 C ATOM 298 CD GLN A 20 -6.077 -11.075 -3.370 1.00 0.00 C ATOM 299 OE1 GLN A 20 -6.700 -11.839 -4.099 1.00 0.00 O ATOM 300 NE2 GLN A 20 -5.212 -10.202 -3.852 1.00 0.00 N ATOM 0 H GLN A 20 -5.829 -10.916 0.558 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.548 -8.530 -0.747 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.963 -10.399 -0.861 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.393 -9.356 -2.148 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.209 -11.074 -1.414 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.638 -12.078 -1.565 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.709 -9.580 -3.219 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.047 -10.150 -4.857 1.00 0.00 H new ATOM 309 N GLU A 21 -8.220 -8.578 1.206 1.00 0.00 N ATOM 310 CA GLU A 21 -9.351 -7.888 1.806 1.00 0.00 C ATOM 311 C GLU A 21 -8.865 -6.793 2.752 1.00 0.00 C ATOM 312 O GLU A 21 -9.276 -5.634 2.652 1.00 0.00 O ATOM 313 CB GLU A 21 -10.195 -8.919 2.570 1.00 0.00 C ATOM 314 CG GLU A 21 -10.670 -10.038 1.646 1.00 0.00 C ATOM 315 CD GLU A 21 -11.761 -10.886 2.287 1.00 0.00 C ATOM 316 OE1 GLU A 21 -11.415 -11.870 2.969 1.00 0.00 O ATOM 317 OE2 GLU A 21 -12.950 -10.536 2.083 1.00 0.00 O ATOM 0 H GLU A 21 -8.118 -9.528 1.563 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.953 -7.416 1.030 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.607 -9.342 3.385 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.056 -8.426 3.021 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.045 -9.607 0.718 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.825 -10.674 1.383 1.00 0.00 H new ATOM 324 N GLU A 22 -7.957 -7.177 3.649 1.00 0.00 N ATOM 325 CA GLU A 22 -7.300 -6.315 4.621 1.00 0.00 C ATOM 326 C GLU A 22 -6.641 -5.142 3.893 1.00 0.00 C ATOM 327 O GLU A 22 -6.762 -3.998 4.316 1.00 0.00 O ATOM 328 CB GLU A 22 -6.248 -7.141 5.364 1.00 0.00 C ATOM 329 CG GLU A 22 -6.844 -8.251 6.229 1.00 0.00 C ATOM 330 CD GLU A 22 -7.279 -7.792 7.617 1.00 0.00 C ATOM 331 OE1 GLU A 22 -8.313 -7.095 7.751 1.00 0.00 O ATOM 332 OE2 GLU A 22 -6.578 -8.169 8.582 1.00 0.00 O ATOM 0 H GLU A 22 -7.647 -8.146 3.718 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.023 -5.919 5.334 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.566 -7.584 4.638 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.656 -6.478 5.995 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.704 -8.677 5.713 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.109 -9.049 6.335 1.00 0.00 H new ATOM 339 N LEU A 23 -5.980 -5.417 2.763 1.00 0.00 N ATOM 340 CA LEU A 23 -5.321 -4.419 1.931 1.00 0.00 C ATOM 341 C LEU A 23 -6.298 -3.371 1.411 1.00 0.00 C ATOM 342 O LEU A 23 -6.064 -2.177 1.595 1.00 0.00 O ATOM 343 CB LEU A 23 -4.619 -5.110 0.755 1.00 0.00 C ATOM 344 CG LEU A 23 -3.233 -5.655 1.122 1.00 0.00 C ATOM 345 CD1 LEU A 23 -2.828 -6.681 0.060 1.00 0.00 C ATOM 346 CD2 LEU A 23 -2.223 -4.505 1.164 1.00 0.00 C ATOM 0 H LEU A 23 -5.890 -6.365 2.398 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.588 -3.902 2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.243 -5.929 0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.519 -4.402 -0.068 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.255 -6.128 2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.844 -7.084 0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.557 -7.491 0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.795 -6.199 -0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.239 -4.894 1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.176 -4.026 0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.534 -3.775 1.911 1.00 0.00 H new ATOM 358 N LYS A 24 -7.376 -3.774 0.727 1.00 0.00 N ATOM 359 CA LYS A 24 -8.330 -2.803 0.176 1.00 0.00 C ATOM 360 C LYS A 24 -8.963 -1.956 1.275 1.00 0.00 C ATOM 361 O LYS A 24 -9.035 -0.733 1.138 1.00 0.00 O ATOM 362 CB LYS A 24 -9.364 -3.450 -0.761 1.00 0.00 C ATOM 363 CG LYS A 24 -10.083 -4.711 -0.265 1.00 0.00 C ATOM 364 CD LYS A 24 -10.812 -5.488 -1.376 1.00 0.00 C ATOM 365 CE LYS A 24 -9.854 -6.324 -2.250 1.00 0.00 C ATOM 366 NZ LYS A 24 -9.583 -5.740 -3.584 1.00 0.00 N ATOM 0 H LYS A 24 -7.608 -4.750 0.544 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.762 -2.120 -0.455 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.121 -2.701 -0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.862 -3.696 -1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.356 -5.370 0.209 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.805 -4.429 0.502 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.553 -6.147 -0.925 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.354 -4.785 -2.009 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.909 -6.445 -1.720 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.276 -7.320 -2.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.698 -6.134 -3.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.367 -5.968 -4.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.494 -4.707 -3.499 1.00 0.00 H new ATOM 380 N LYS A 25 -9.378 -2.586 2.370 1.00 0.00 N ATOM 381 CA LYS A 25 -9.833 -1.875 3.568 1.00 0.00 C ATOM 382 C LYS A 25 -8.785 -0.882 4.075 1.00 0.00 C ATOM 383 O LYS A 25 -9.135 0.276 4.307 1.00 0.00 O ATOM 384 CB LYS A 25 -10.210 -2.857 4.684 1.00 0.00 C ATOM 385 CG LYS A 25 -11.585 -3.499 4.448 1.00 0.00 C ATOM 386 CD LYS A 25 -12.077 -4.117 5.758 1.00 0.00 C ATOM 387 CE LYS A 25 -13.554 -4.504 5.681 1.00 0.00 C ATOM 388 NZ LYS A 25 -14.071 -4.923 6.999 1.00 0.00 N ATOM 0 H LYS A 25 -9.410 -3.602 2.455 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.721 -1.311 3.282 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.452 -3.638 4.751 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.214 -2.334 5.640 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.294 -2.751 4.095 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.516 -4.263 3.674 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.481 -5.000 5.990 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.928 -3.409 6.573 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.135 -3.658 5.313 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.682 -5.315 4.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.075 -5.179 6.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.532 -5.745 7.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.970 -4.140 7.676 1.00 0.00 H new ATOM 402 N ALA A 26 -7.535 -1.308 4.274 1.00 0.00 N ATOM 403 CA ALA A 26 -6.466 -0.465 4.801 1.00 0.00 C ATOM 404 C ALA A 26 -6.255 0.742 3.893 1.00 0.00 C ATOM 405 O ALA A 26 -6.203 1.873 4.372 1.00 0.00 O ATOM 406 CB ALA A 26 -5.173 -1.272 4.957 1.00 0.00 C ATOM 0 H ALA A 26 -7.236 -2.262 4.070 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.755 -0.104 5.788 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.387 -0.628 5.351 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.342 -2.100 5.645 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.869 -1.663 3.986 1.00 0.00 H new ATOM 412 N TYR A 27 -6.192 0.501 2.582 1.00 0.00 N ATOM 413 CA TYR A 27 -6.070 1.521 1.558 1.00 0.00 C ATOM 414 C TYR A 27 -7.138 2.586 1.767 1.00 0.00 C ATOM 415 O TYR A 27 -6.776 3.746 1.888 1.00 0.00 O ATOM 416 CB TYR A 27 -6.142 0.914 0.150 1.00 0.00 C ATOM 417 CG TYR A 27 -6.016 1.966 -0.937 1.00 0.00 C ATOM 418 CD1 TYR A 27 -4.750 2.307 -1.435 1.00 0.00 C ATOM 419 CD2 TYR A 27 -7.150 2.656 -1.398 1.00 0.00 C ATOM 420 CE1 TYR A 27 -4.598 3.327 -2.394 1.00 0.00 C ATOM 421 CE2 TYR A 27 -7.017 3.652 -2.380 1.00 0.00 C ATOM 422 CZ TYR A 27 -5.742 3.990 -2.889 1.00 0.00 C ATOM 423 OH TYR A 27 -5.653 4.952 -3.848 1.00 0.00 O ATOM 0 H TYR A 27 -6.226 -0.444 2.199 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.090 1.991 1.645 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.348 0.177 0.033 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.088 0.385 0.033 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -3.878 1.779 -1.077 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.125 2.420 -0.997 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.615 3.600 -2.748 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -7.894 4.163 -2.748 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.549 5.289 -4.058 1.00 0.00 H new ATOM 433 N ARG A 28 -8.428 2.229 1.864 1.00 0.00 N ATOM 434 CA ARG A 28 -9.504 3.203 2.057 1.00 0.00 C ATOM 435 C ARG A 28 -9.189 4.150 3.216 1.00 0.00 C ATOM 436 O ARG A 28 -9.118 5.365 3.032 1.00 0.00 O ATOM 437 CB ARG A 28 -10.828 2.477 2.318 1.00 0.00 C ATOM 438 CG ARG A 28 -11.433 1.730 1.124 1.00 0.00 C ATOM 439 CD ARG A 28 -12.940 1.609 1.348 1.00 0.00 C ATOM 440 NE ARG A 28 -13.567 0.577 0.509 1.00 0.00 N ATOM 441 CZ ARG A 28 -14.581 0.756 -0.345 1.00 0.00 C ATOM 442 NH1 ARG A 28 -14.853 1.962 -0.833 1.00 0.00 N ATOM 443 NH2 ARG A 28 -15.341 -0.279 -0.681 1.00 0.00 N ATOM 0 H ARG A 28 -8.749 1.262 1.811 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.592 3.797 1.147 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.674 1.763 3.127 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.556 3.207 2.671 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.229 2.266 0.197 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.983 0.742 1.026 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -13.128 1.380 2.397 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -13.410 2.571 1.143 1.00 0.00 H new ATOM 0 HE ARG A 28 -13.192 -0.368 0.586 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -14.286 2.764 -0.557 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -15.629 2.086 -1.484 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -15.150 -1.201 -0.289 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -16.116 -0.152 -1.331 1.00 0.00 H new ATOM 457 N LYS A 29 -8.976 3.597 4.411 1.00 0.00 N ATOM 458 CA LYS A 29 -8.778 4.384 5.630 1.00 0.00 C ATOM 459 C LYS A 29 -7.436 5.121 5.680 1.00 0.00 C ATOM 460 O LYS A 29 -7.226 5.892 6.613 1.00 0.00 O ATOM 461 CB LYS A 29 -9.087 3.534 6.884 1.00 0.00 C ATOM 462 CG LYS A 29 -8.340 2.194 7.022 1.00 0.00 C ATOM 463 CD LYS A 29 -7.025 2.273 7.800 1.00 0.00 C ATOM 464 CE LYS A 29 -7.316 2.359 9.308 1.00 0.00 C ATOM 465 NZ LYS A 29 -6.626 1.327 10.105 1.00 0.00 N ATOM 0 H LYS A 29 -8.936 2.589 4.562 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.504 5.197 5.615 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.866 4.137 7.765 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.157 3.328 6.898 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.996 1.477 7.516 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.134 1.804 6.025 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.413 1.396 7.588 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.454 3.145 7.480 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.020 3.343 9.671 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.391 2.270 9.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.868 1.445 11.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.926 0.384 9.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.598 1.424 9.982 1.00 0.00 H new ATOM 479 N LEU A 30 -6.537 4.936 4.707 1.00 0.00 N ATOM 480 CA LEU A 30 -5.273 5.667 4.618 1.00 0.00 C ATOM 481 C LEU A 30 -5.311 6.663 3.470 1.00 0.00 C ATOM 482 O LEU A 30 -4.912 7.805 3.660 1.00 0.00 O ATOM 483 CB LEU A 30 -4.086 4.700 4.533 1.00 0.00 C ATOM 484 CG LEU A 30 -3.836 4.015 5.894 1.00 0.00 C ATOM 485 CD1 LEU A 30 -3.027 2.731 5.749 1.00 0.00 C ATOM 486 CD2 LEU A 30 -3.152 4.926 6.925 1.00 0.00 C ATOM 0 H LEU A 30 -6.671 4.265 3.950 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.133 6.246 5.531 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.281 3.945 3.771 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.192 5.241 4.224 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.832 3.777 6.268 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.875 2.284 6.731 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.566 2.031 5.111 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.060 2.959 5.301 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.008 4.378 7.856 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.184 5.248 6.541 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.777 5.799 7.111 1.00 0.00 H new ATOM 498 N ALA A 31 -5.874 6.297 2.320 1.00 0.00 N ATOM 499 CA ALA A 31 -6.161 7.192 1.209 1.00 0.00 C ATOM 500 C ALA A 31 -6.978 8.388 1.693 1.00 0.00 C ATOM 501 O ALA A 31 -6.650 9.532 1.397 1.00 0.00 O ATOM 502 CB ALA A 31 -6.914 6.417 0.120 1.00 0.00 C ATOM 0 H ALA A 31 -6.152 5.333 2.133 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.228 7.571 0.792 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.132 7.082 -0.715 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.298 5.587 -0.228 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.847 6.030 0.528 1.00 0.00 H new ATOM 508 N LEU A 32 -8.024 8.132 2.480 1.00 0.00 N ATOM 509 CA LEU A 32 -8.844 9.184 3.056 1.00 0.00 C ATOM 510 C LEU A 32 -8.083 10.023 4.086 1.00 0.00 C ATOM 511 O LEU A 32 -8.383 11.206 4.235 1.00 0.00 O ATOM 512 CB LEU A 32 -10.104 8.579 3.692 1.00 0.00 C ATOM 513 CG LEU A 32 -11.167 8.067 2.696 1.00 0.00 C ATOM 514 CD1 LEU A 32 -12.397 7.588 3.480 1.00 0.00 C ATOM 515 CD2 LEU A 32 -11.608 9.112 1.664 1.00 0.00 C ATOM 0 H LEU A 32 -8.321 7.189 2.732 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.127 9.854 2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.804 7.751 4.335 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.564 9.331 4.333 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.703 7.255 2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.153 7.225 2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.107 6.782 4.155 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.805 8.417 4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.355 8.676 1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.037 9.972 2.178 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.746 9.431 1.078 1.00 0.00 H new ATOM 527 N LYS A 33 -7.113 9.454 4.812 1.00 0.00 N ATOM 528 CA LYS A 33 -6.310 10.190 5.779 1.00 0.00 C ATOM 529 C LYS A 33 -5.375 11.138 5.039 1.00 0.00 C ATOM 530 O LYS A 33 -5.416 12.348 5.261 1.00 0.00 O ATOM 531 CB LYS A 33 -5.525 9.209 6.673 1.00 0.00 C ATOM 532 CG LYS A 33 -4.598 9.976 7.625 1.00 0.00 C ATOM 533 CD LYS A 33 -4.637 9.448 9.057 1.00 0.00 C ATOM 534 CE LYS A 33 -4.036 8.050 9.187 1.00 0.00 C ATOM 535 NZ LYS A 33 -3.992 7.640 10.602 1.00 0.00 N ATOM 0 H LYS A 33 -6.867 8.467 4.740 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.959 10.780 6.426 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.219 8.596 7.247 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.939 8.531 6.052 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.576 9.919 7.251 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.879 11.029 7.625 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.095 10.134 9.708 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.670 9.429 9.405 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.629 7.337 8.613 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.030 8.039 8.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.581 6.687 10.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.408 8.311 11.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.956 7.632 10.991 1.00 0.00 H new ATOM 549 N TYR A 34 -4.524 10.587 4.181 1.00 0.00 N ATOM 550 CA TYR A 34 -3.491 11.304 3.455 1.00 0.00 C ATOM 551 C TYR A 34 -4.068 12.041 2.243 1.00 0.00 C ATOM 552 O TYR A 34 -3.308 12.440 1.365 1.00 0.00 O ATOM 553 CB TYR A 34 -2.392 10.298 3.081 1.00 0.00 C ATOM 554 CG TYR A 34 -1.807 9.551 4.273 1.00 0.00 C ATOM 555 CD1 TYR A 34 -1.164 10.249 5.310 1.00 0.00 C ATOM 556 CD2 TYR A 34 -1.915 8.154 4.369 1.00 0.00 C ATOM 557 CE1 TYR A 34 -0.596 9.566 6.396 1.00 0.00 C ATOM 558 CE2 TYR A 34 -1.348 7.461 5.443 1.00 0.00 C ATOM 559 CZ TYR A 34 -0.699 8.164 6.476 1.00 0.00 C ATOM 560 OH TYR A 34 -0.240 7.504 7.571 1.00 0.00 O ATOM 0 H TYR A 34 -4.538 9.590 3.966 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.055 12.084 4.080 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.801 9.574 2.376 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.589 10.826 2.566 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.106 11.327 5.270 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.444 7.607 3.602 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.080 10.115 7.170 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.408 6.383 5.480 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.391 6.542 7.460 1.00 0.00 H new ATOM 570 N HIS A 35 -5.394 12.224 2.171 1.00 0.00 N ATOM 571 CA HIS A 35 -5.985 12.961 1.072 1.00 0.00 C ATOM 572 C HIS A 35 -5.438 14.390 1.154 1.00 0.00 C ATOM 573 O HIS A 35 -5.420 14.964 2.249 1.00 0.00 O ATOM 574 CB HIS A 35 -7.519 12.943 1.226 1.00 0.00 C ATOM 575 CG HIS A 35 -8.251 12.822 -0.081 1.00 0.00 C ATOM 576 ND1 HIS A 35 -8.847 13.834 -0.800 1.00 0.00 N ATOM 577 CD2 HIS A 35 -8.445 11.655 -0.770 1.00 0.00 C ATOM 578 CE1 HIS A 35 -9.367 13.287 -1.913 1.00 0.00 C ATOM 579 NE2 HIS A 35 -9.173 11.950 -1.931 1.00 0.00 N ATOM 0 H HIS A 35 -6.061 11.872 2.857 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.741 12.523 0.104 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.802 12.111 1.870 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.837 13.857 1.728 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.098 10.677 -0.471 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -9.872 13.842 -2.689 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -9.491 11.292 -2.642 1.00 0.00 H new ATOM 587 N PRO A 36 -5.144 15.042 0.023 1.00 0.00 N ATOM 588 CA PRO A 36 -4.461 16.329 0.044 1.00 0.00 C ATOM 589 C PRO A 36 -5.410 17.426 0.516 1.00 0.00 C ATOM 590 O PRO A 36 -4.998 18.361 1.199 1.00 0.00 O ATOM 591 CB PRO A 36 -3.979 16.535 -1.395 1.00 0.00 C ATOM 592 CG PRO A 36 -4.961 15.716 -2.233 1.00 0.00 C ATOM 593 CD PRO A 36 -5.242 14.526 -1.331 1.00 0.00 C ATOM 0 HA PRO A 36 -3.623 16.361 0.740 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.996 17.588 -1.675 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.954 16.187 -1.527 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.868 16.277 -2.461 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.527 15.411 -3.185 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.231 14.111 -1.523 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.522 13.725 -1.500 1.00 0.00 H new ATOM 601 N ASP A 37 -6.694 17.256 0.201 1.00 0.00 N ATOM 602 CA ASP A 37 -7.797 18.177 0.440 1.00 0.00 C ATOM 603 C ASP A 37 -7.889 18.592 1.911 1.00 0.00 C ATOM 604 O ASP A 37 -8.270 19.720 2.220 1.00 0.00 O ATOM 605 CB ASP A 37 -9.080 17.461 -0.018 1.00 0.00 C ATOM 606 CG ASP A 37 -10.174 18.409 -0.499 1.00 0.00 C ATOM 607 OD1 ASP A 37 -9.911 19.139 -1.475 1.00 0.00 O ATOM 608 OD2 ASP A 37 -11.327 18.301 -0.011 1.00 0.00 O ATOM 0 H ASP A 37 -7.010 16.405 -0.263 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.644 19.101 -0.118 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.832 16.769 -0.823 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.467 16.864 0.808 1.00 0.00 H new ATOM 613 N LYS A 38 -7.496 17.706 2.832 1.00 0.00 N ATOM 614 CA LYS A 38 -7.577 17.887 4.281 1.00 0.00 C ATOM 615 C LYS A 38 -6.264 17.569 4.997 1.00 0.00 C ATOM 616 O LYS A 38 -6.239 17.565 6.232 1.00 0.00 O ATOM 617 CB LYS A 38 -8.722 16.997 4.786 1.00 0.00 C ATOM 618 CG LYS A 38 -10.080 17.699 4.717 1.00 0.00 C ATOM 619 CD LYS A 38 -10.327 18.633 5.912 1.00 0.00 C ATOM 620 CE LYS A 38 -10.536 17.848 7.212 1.00 0.00 C ATOM 621 NZ LYS A 38 -9.839 18.455 8.362 1.00 0.00 N ATOM 0 H LYS A 38 -7.095 16.804 2.574 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.771 18.936 4.504 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.758 16.084 4.192 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.521 16.700 5.815 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.140 18.274 3.793 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.870 16.949 4.678 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.479 19.308 6.027 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.203 19.251 5.716 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.603 17.789 7.429 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.182 16.826 7.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.014 17.885 9.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.817 18.488 8.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.194 19.421 8.513 1.00 0.00 H new ATOM 635 N ASN A 39 -5.187 17.258 4.277 1.00 0.00 N ATOM 636 CA ASN A 39 -3.919 16.873 4.888 1.00 0.00 C ATOM 637 C ASN A 39 -2.757 17.241 3.958 1.00 0.00 C ATOM 638 O ASN A 39 -2.019 16.361 3.512 1.00 0.00 O ATOM 639 CB ASN A 39 -3.978 15.373 5.211 1.00 0.00 C ATOM 640 CG ASN A 39 -2.970 14.919 6.245 1.00 0.00 C ATOM 641 OD1 ASN A 39 -2.275 15.704 6.889 1.00 0.00 O ATOM 642 ND2 ASN A 39 -2.948 13.620 6.471 1.00 0.00 N ATOM 0 H ASN A 39 -5.170 17.266 3.257 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.748 17.413 5.819 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.980 15.128 5.565 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.818 14.809 4.292 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.342 13.239 7.198 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.537 12.996 5.919 1.00 0.00 H new ATOM 649 N PRO A 40 -2.569 18.534 3.640 1.00 0.00 N ATOM 650 CA PRO A 40 -1.749 18.981 2.515 1.00 0.00 C ATOM 651 C PRO A 40 -0.301 18.500 2.636 1.00 0.00 C ATOM 652 O PRO A 40 0.246 17.939 1.691 1.00 0.00 O ATOM 653 CB PRO A 40 -1.884 20.510 2.490 1.00 0.00 C ATOM 654 CG PRO A 40 -2.358 20.881 3.892 1.00 0.00 C ATOM 655 CD PRO A 40 -3.194 19.672 4.295 1.00 0.00 C ATOM 0 HA PRO A 40 -2.086 18.554 1.570 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.933 20.988 2.254 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.599 20.832 1.732 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.522 21.040 4.573 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.947 21.798 3.891 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.205 19.545 5.378 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.230 19.788 3.977 1.00 0.00 H new ATOM 663 N ASN A 41 0.297 18.657 3.817 1.00 0.00 N ATOM 664 CA ASN A 41 1.576 18.141 4.266 1.00 0.00 C ATOM 665 C ASN A 41 1.811 16.621 4.202 1.00 0.00 C ATOM 666 O ASN A 41 2.888 16.166 4.583 1.00 0.00 O ATOM 667 CB ASN A 41 1.791 18.662 5.686 1.00 0.00 C ATOM 668 CG ASN A 41 0.980 17.914 6.725 1.00 0.00 C ATOM 669 OD1 ASN A 41 1.323 17.861 7.902 1.00 0.00 O ATOM 670 ND2 ASN A 41 -0.139 17.367 6.309 1.00 0.00 N ATOM 0 H ASN A 41 -0.153 19.204 4.551 1.00 0.00 H new ATOM 0 HA ASN A 41 2.309 18.503 3.545 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.849 18.587 5.937 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.529 19.719 5.722 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -0.747 16.883 6.970 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -0.400 17.426 5.325 1.00 0.00 H new ATOM 677 N GLU A 42 0.837 15.815 3.784 1.00 0.00 N ATOM 678 CA GLU A 42 1.019 14.378 3.578 1.00 0.00 C ATOM 679 C GLU A 42 0.532 13.980 2.173 1.00 0.00 C ATOM 680 O GLU A 42 0.379 12.796 1.879 1.00 0.00 O ATOM 681 CB GLU A 42 0.376 13.575 4.733 1.00 0.00 C ATOM 682 CG GLU A 42 1.100 13.789 6.087 1.00 0.00 C ATOM 683 CD GLU A 42 0.632 12.847 7.223 1.00 0.00 C ATOM 684 OE1 GLU A 42 -0.580 12.726 7.504 1.00 0.00 O ATOM 685 OE2 GLU A 42 1.476 12.144 7.831 1.00 0.00 O ATOM 0 H GLU A 42 -0.107 16.142 3.577 1.00 0.00 H new ATOM 0 HA GLU A 42 2.079 14.125 3.609 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.669 13.867 4.835 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.388 12.514 4.483 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.171 13.652 5.937 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.952 14.821 6.404 1.00 0.00 H new ATOM 692 N GLY A 43 0.305 14.956 1.287 1.00 0.00 N ATOM 693 CA GLY A 43 -0.289 14.733 -0.025 1.00 0.00 C ATOM 694 C GLY A 43 0.612 13.938 -0.978 1.00 0.00 C ATOM 695 O GLY A 43 0.091 13.216 -1.833 1.00 0.00 O ATOM 0 H GLY A 43 0.533 15.933 1.468 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.233 14.202 0.098 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.522 15.697 -0.478 1.00 0.00 H new ATOM 699 N GLU A 44 1.940 14.021 -0.846 1.00 0.00 N ATOM 700 CA GLU A 44 2.862 13.229 -1.669 1.00 0.00 C ATOM 701 C GLU A 44 3.009 11.820 -1.091 1.00 0.00 C ATOM 702 O GLU A 44 3.195 10.868 -1.844 1.00 0.00 O ATOM 703 CB GLU A 44 4.234 13.910 -1.814 1.00 0.00 C ATOM 704 CG GLU A 44 4.220 15.047 -2.849 1.00 0.00 C ATOM 705 CD GLU A 44 5.634 15.535 -3.178 1.00 0.00 C ATOM 706 OE1 GLU A 44 6.199 16.307 -2.360 1.00 0.00 O ATOM 707 OE2 GLU A 44 6.194 15.129 -4.224 1.00 0.00 O ATOM 0 H GLU A 44 2.403 14.632 -0.173 1.00 0.00 H new ATOM 0 HA GLU A 44 2.436 13.156 -2.670 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.543 14.307 -0.847 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.976 13.167 -2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.733 14.702 -3.761 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.628 15.879 -2.467 1.00 0.00 H new ATOM 714 N LYS A 45 2.832 11.645 0.223 1.00 0.00 N ATOM 715 CA LYS A 45 2.824 10.327 0.861 1.00 0.00 C ATOM 716 C LYS A 45 1.756 9.429 0.241 1.00 0.00 C ATOM 717 O LYS A 45 1.968 8.226 0.112 1.00 0.00 O ATOM 718 CB LYS A 45 2.579 10.510 2.362 1.00 0.00 C ATOM 719 CG LYS A 45 2.999 9.284 3.181 1.00 0.00 C ATOM 720 CD LYS A 45 2.612 9.432 4.657 1.00 0.00 C ATOM 721 CE LYS A 45 3.252 10.702 5.245 1.00 0.00 C ATOM 722 NZ LYS A 45 3.407 10.685 6.712 1.00 0.00 N ATOM 0 H LYS A 45 2.690 12.417 0.875 1.00 0.00 H new ATOM 0 HA LYS A 45 3.787 9.841 0.705 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.130 11.383 2.713 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.521 10.711 2.532 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.528 8.392 2.769 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.077 9.143 3.099 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.528 9.483 4.754 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.941 8.557 5.217 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.232 10.844 4.790 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.644 11.563 4.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.758 11.377 7.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.187 9.735 7.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.386 10.931 6.960 1.00 0.00 H new ATOM 736 N PHE A 46 0.636 10.004 -0.200 1.00 0.00 N ATOM 737 CA PHE A 46 -0.412 9.295 -0.931 1.00 0.00 C ATOM 738 C PHE A 46 0.170 8.508 -2.115 1.00 0.00 C ATOM 739 O PHE A 46 -0.221 7.370 -2.383 1.00 0.00 O ATOM 740 CB PHE A 46 -1.444 10.313 -1.441 1.00 0.00 C ATOM 741 CG PHE A 46 -2.888 9.860 -1.614 1.00 0.00 C ATOM 742 CD1 PHE A 46 -3.263 8.520 -1.842 1.00 0.00 C ATOM 743 CD2 PHE A 46 -3.886 10.847 -1.608 1.00 0.00 C ATOM 744 CE1 PHE A 46 -4.610 8.178 -2.053 1.00 0.00 C ATOM 745 CE2 PHE A 46 -5.229 10.510 -1.837 1.00 0.00 C ATOM 746 CZ PHE A 46 -5.597 9.173 -2.049 1.00 0.00 C ATOM 0 H PHE A 46 0.430 10.992 -0.056 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.888 8.583 -0.256 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.442 11.159 -0.754 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.095 10.684 -2.405 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.507 7.748 -1.855 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.617 11.877 -1.425 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.885 7.147 -2.218 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -5.983 11.284 -1.850 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.633 8.912 -2.208 1.00 0.00 H new ATOM 756 N LYS A 47 1.131 9.096 -2.820 1.00 0.00 N ATOM 757 CA LYS A 47 1.718 8.507 -4.017 1.00 0.00 C ATOM 758 C LYS A 47 2.511 7.230 -3.720 1.00 0.00 C ATOM 759 O LYS A 47 2.560 6.339 -4.571 1.00 0.00 O ATOM 760 CB LYS A 47 2.562 9.585 -4.729 1.00 0.00 C ATOM 761 CG LYS A 47 2.268 9.655 -6.232 1.00 0.00 C ATOM 762 CD LYS A 47 2.548 11.062 -6.781 1.00 0.00 C ATOM 763 CE LYS A 47 2.220 11.099 -8.275 1.00 0.00 C ATOM 764 NZ LYS A 47 2.054 12.469 -8.797 1.00 0.00 N ATOM 0 H LYS A 47 1.527 10.003 -2.574 1.00 0.00 H new ATOM 0 HA LYS A 47 0.920 8.182 -4.685 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.363 10.557 -4.276 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.620 9.373 -4.577 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.881 8.925 -6.761 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.227 9.389 -6.416 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.948 11.799 -6.247 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.593 11.326 -6.620 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.016 10.600 -8.828 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.305 10.535 -8.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.833 12.429 -9.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.277 12.941 -8.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.935 13.004 -8.655 1.00 0.00 H new ATOM 778 N GLN A 48 3.079 7.076 -2.520 1.00 0.00 N ATOM 779 CA GLN A 48 3.650 5.807 -2.085 1.00 0.00 C ATOM 780 C GLN A 48 2.555 4.752 -1.936 1.00 0.00 C ATOM 781 O GLN A 48 2.778 3.589 -2.286 1.00 0.00 O ATOM 782 CB GLN A 48 4.352 5.996 -0.732 1.00 0.00 C ATOM 783 CG GLN A 48 5.669 6.780 -0.820 1.00 0.00 C ATOM 784 CD GLN A 48 6.807 5.940 -0.260 1.00 0.00 C ATOM 785 OE1 GLN A 48 7.512 5.255 -1.001 1.00 0.00 O ATOM 786 NE2 GLN A 48 6.973 5.921 1.047 1.00 0.00 N ATOM 0 H GLN A 48 3.154 7.824 -1.831 1.00 0.00 H new ATOM 0 HA GLN A 48 4.368 5.473 -2.834 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.676 6.515 -0.052 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.552 5.017 -0.297 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.876 7.045 -1.857 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.585 7.713 -0.263 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.379 6.496 1.645 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.695 5.332 1.461 1.00 0.00 H new ATOM 795 N ILE A 49 1.383 5.153 -1.430 1.00 0.00 N ATOM 796 CA ILE A 49 0.255 4.252 -1.238 1.00 0.00 C ATOM 797 C ILE A 49 -0.145 3.699 -2.603 1.00 0.00 C ATOM 798 O ILE A 49 -0.359 2.497 -2.704 1.00 0.00 O ATOM 799 CB ILE A 49 -0.955 4.930 -0.551 1.00 0.00 C ATOM 800 CG1 ILE A 49 -0.584 5.908 0.574 1.00 0.00 C ATOM 801 CG2 ILE A 49 -1.882 3.847 0.015 1.00 0.00 C ATOM 802 CD1 ILE A 49 -1.823 6.584 1.170 1.00 0.00 C ATOM 0 H ILE A 49 1.196 6.114 -1.144 1.00 0.00 H new ATOM 0 HA ILE A 49 0.566 3.451 -0.567 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.446 5.525 -1.321 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.048 5.374 1.359 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.094 6.668 0.186 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.737 4.317 0.501 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.232 3.207 -0.795 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.337 3.246 0.743 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.519 7.268 1.962 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.344 7.140 0.391 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.489 5.825 1.582 1.00 0.00 H new ATOM 814 N SER A 50 -0.238 4.550 -3.633 1.00 0.00 N ATOM 815 CA SER A 50 -0.550 4.107 -4.987 1.00 0.00 C ATOM 816 C SER A 50 0.485 3.079 -5.456 1.00 0.00 C ATOM 817 O SER A 50 0.107 1.967 -5.814 1.00 0.00 O ATOM 818 CB SER A 50 -0.698 5.282 -5.942 1.00 0.00 C ATOM 819 OG SER A 50 -1.624 4.975 -6.978 1.00 0.00 O ATOM 0 H SER A 50 -0.099 5.557 -3.547 1.00 0.00 H new ATOM 0 HA SER A 50 -1.520 3.611 -4.980 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.036 6.162 -5.394 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.271 5.529 -6.375 1.00 0.00 H new ATOM 0 HG SER A 50 -1.707 5.743 -7.581 1.00 0.00 H new ATOM 825 N GLN A 51 1.778 3.417 -5.382 1.00 0.00 N ATOM 826 CA GLN A 51 2.860 2.569 -5.872 1.00 0.00 C ATOM 827 C GLN A 51 2.821 1.166 -5.259 1.00 0.00 C ATOM 828 O GLN A 51 3.053 0.188 -5.970 1.00 0.00 O ATOM 829 CB GLN A 51 4.195 3.293 -5.613 1.00 0.00 C ATOM 830 CG GLN A 51 5.414 2.625 -6.268 1.00 0.00 C ATOM 831 CD GLN A 51 6.067 1.534 -5.443 1.00 0.00 C ATOM 832 OE1 GLN A 51 6.231 1.675 -4.231 1.00 0.00 O ATOM 833 NE2 GLN A 51 6.479 0.455 -6.089 1.00 0.00 N ATOM 0 H GLN A 51 2.101 4.295 -4.976 1.00 0.00 H new ATOM 0 HA GLN A 51 2.742 2.409 -6.944 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.116 4.317 -5.978 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.361 3.350 -4.537 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.107 2.202 -7.225 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.158 3.392 -6.483 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.326 0.373 -7.094 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.950 -0.294 -5.582 1.00 0.00 H new ATOM 842 N ALA A 52 2.524 1.072 -3.961 1.00 0.00 N ATOM 843 CA ALA A 52 2.432 -0.187 -3.240 1.00 0.00 C ATOM 844 C ALA A 52 1.141 -0.936 -3.551 1.00 0.00 C ATOM 845 O ALA A 52 1.157 -2.128 -3.869 1.00 0.00 O ATOM 846 CB ALA A 52 2.523 0.112 -1.736 1.00 0.00 C ATOM 0 H ALA A 52 2.338 1.887 -3.376 1.00 0.00 H new ATOM 0 HA ALA A 52 3.252 -0.832 -3.556 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.456 -0.820 -1.175 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.474 0.599 -1.519 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.704 0.770 -1.446 1.00 0.00 H new ATOM 852 N TYR A 53 0.011 -0.247 -3.428 1.00 0.00 N ATOM 853 CA TYR A 53 -1.301 -0.836 -3.618 1.00 0.00 C ATOM 854 C TYR A 53 -1.483 -1.330 -5.053 1.00 0.00 C ATOM 855 O TYR A 53 -2.271 -2.248 -5.266 1.00 0.00 O ATOM 856 CB TYR A 53 -2.363 0.202 -3.236 1.00 0.00 C ATOM 857 CG TYR A 53 -3.794 -0.280 -3.327 1.00 0.00 C ATOM 858 CD1 TYR A 53 -4.299 -1.206 -2.390 1.00 0.00 C ATOM 859 CD2 TYR A 53 -4.623 0.208 -4.357 1.00 0.00 C ATOM 860 CE1 TYR A 53 -5.631 -1.643 -2.495 1.00 0.00 C ATOM 861 CE2 TYR A 53 -5.949 -0.233 -4.473 1.00 0.00 C ATOM 862 CZ TYR A 53 -6.451 -1.173 -3.550 1.00 0.00 C ATOM 863 OH TYR A 53 -7.723 -1.645 -3.688 1.00 0.00 O ATOM 0 H TYR A 53 -0.015 0.745 -3.191 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.408 -1.710 -2.975 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.172 0.535 -2.216 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.247 1.072 -3.882 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.666 -1.577 -1.597 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.234 0.927 -5.062 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.029 -2.338 -1.771 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.581 0.145 -5.263 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.148 -1.219 -4.461 1.00 0.00 H new ATOM 873 N GLU A 54 -0.760 -0.765 -6.024 1.00 0.00 N ATOM 874 CA GLU A 54 -0.874 -1.129 -7.431 1.00 0.00 C ATOM 875 C GLU A 54 -0.499 -2.600 -7.613 1.00 0.00 C ATOM 876 O GLU A 54 -1.311 -3.386 -8.108 1.00 0.00 O ATOM 877 CB GLU A 54 -0.032 -0.183 -8.310 1.00 0.00 C ATOM 878 CG GLU A 54 0.013 -0.699 -9.756 1.00 0.00 C ATOM 879 CD GLU A 54 0.420 0.355 -10.787 1.00 0.00 C ATOM 880 OE1 GLU A 54 -0.378 1.295 -11.017 1.00 0.00 O ATOM 881 OE2 GLU A 54 1.489 0.184 -11.420 1.00 0.00 O ATOM 0 H GLU A 54 -0.072 -0.033 -5.848 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.907 -1.012 -7.759 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.457 0.820 -8.288 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.980 -0.109 -7.911 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.713 -1.533 -9.810 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.970 -1.089 -10.021 1.00 0.00 H new ATOM 888 N VAL A 55 0.707 -2.977 -7.177 1.00 0.00 N ATOM 889 CA VAL A 55 1.242 -4.332 -7.305 1.00 0.00 C ATOM 890 C VAL A 55 0.270 -5.323 -6.678 1.00 0.00 C ATOM 891 O VAL A 55 -0.036 -6.372 -7.241 1.00 0.00 O ATOM 892 CB VAL A 55 2.637 -4.429 -6.640 1.00 0.00 C ATOM 893 CG1 VAL A 55 3.319 -5.752 -7.007 1.00 0.00 C ATOM 894 CG2 VAL A 55 3.528 -3.269 -7.075 1.00 0.00 C ATOM 0 H VAL A 55 1.350 -2.334 -6.716 1.00 0.00 H new ATOM 0 HA VAL A 55 1.359 -4.575 -8.361 1.00 0.00 H new ATOM 0 HB VAL A 55 2.492 -4.384 -5.561 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.298 -5.801 -6.530 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.706 -6.585 -6.663 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.439 -5.812 -8.089 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.502 -3.359 -6.595 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.653 -3.292 -8.158 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.066 -2.326 -6.784 1.00 0.00 H new ATOM 904 N LEU A 56 -0.253 -4.961 -5.511 1.00 0.00 N ATOM 905 CA LEU A 56 -1.102 -5.822 -4.716 1.00 0.00 C ATOM 906 C LEU A 56 -2.547 -5.858 -5.222 1.00 0.00 C ATOM 907 O LEU A 56 -3.334 -6.647 -4.690 1.00 0.00 O ATOM 908 CB LEU A 56 -1.025 -5.362 -3.254 1.00 0.00 C ATOM 909 CG LEU A 56 0.392 -5.456 -2.648 1.00 0.00 C ATOM 910 CD1 LEU A 56 0.405 -4.885 -1.226 1.00 0.00 C ATOM 911 CD2 LEU A 56 0.879 -6.908 -2.590 1.00 0.00 C ATOM 0 H LEU A 56 -0.093 -4.046 -5.090 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.741 -6.847 -4.802 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.371 -4.331 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.707 -5.966 -2.656 1.00 0.00 H new ATOM 0 HG LEU A 56 1.056 -4.879 -3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.411 -4.959 -0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.099 -3.839 -1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.286 -5.450 -0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.879 -6.939 -2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.199 -7.495 -1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.905 -7.323 -3.597 1.00 0.00 H new ATOM 923 N SER A 57 -2.933 -5.050 -6.213 1.00 0.00 N ATOM 924 CA SER A 57 -4.328 -4.932 -6.621 1.00 0.00 C ATOM 925 C SER A 57 -4.715 -5.827 -7.785 1.00 0.00 C ATOM 926 O SER A 57 -5.826 -6.360 -7.733 1.00 0.00 O ATOM 927 CB SER A 57 -4.682 -3.478 -6.922 1.00 0.00 C ATOM 928 OG SER A 57 -4.794 -2.825 -5.679 1.00 0.00 O ATOM 0 H SER A 57 -2.291 -4.466 -6.748 1.00 0.00 H new ATOM 0 HA SER A 57 -4.912 -5.283 -5.770 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.912 -3.011 -7.537 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.617 -3.414 -7.479 1.00 0.00 H new ATOM 0 HG SER A 57 -3.923 -2.456 -5.424 1.00 0.00 H new ATOM 934 N ASP A 58 -3.870 -6.019 -8.802 1.00 0.00 N ATOM 935 CA ASP A 58 -4.178 -7.062 -9.781 1.00 0.00 C ATOM 936 C ASP A 58 -3.737 -8.387 -9.184 1.00 0.00 C ATOM 937 O ASP A 58 -2.759 -8.427 -8.431 1.00 0.00 O ATOM 938 CB ASP A 58 -3.468 -6.864 -11.122 1.00 0.00 C ATOM 939 CG ASP A 58 -4.242 -7.473 -12.305 1.00 0.00 C ATOM 940 OD1 ASP A 58 -5.388 -7.976 -12.122 1.00 0.00 O ATOM 941 OD2 ASP A 58 -3.684 -7.504 -13.416 1.00 0.00 O ATOM 0 H ASP A 58 -3.010 -5.495 -8.965 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.248 -7.028 -9.987 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.325 -5.798 -11.298 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.477 -7.314 -11.073 1.00 0.00 H new ATOM 946 N ALA A 59 -4.406 -9.480 -9.532 1.00 0.00 N ATOM 947 CA ALA A 59 -3.946 -10.793 -9.117 1.00 0.00 C ATOM 948 C ALA A 59 -2.631 -11.117 -9.822 1.00 0.00 C ATOM 949 O ALA A 59 -1.651 -11.400 -9.150 1.00 0.00 O ATOM 950 CB ALA A 59 -5.016 -11.842 -9.391 1.00 0.00 C ATOM 0 H ALA A 59 -5.258 -9.481 -10.093 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.763 -10.797 -8.042 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.656 -12.821 -9.074 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.921 -11.592 -8.837 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.238 -11.865 -10.458 1.00 0.00 H new ATOM 956 N LYS A 60 -2.564 -11.002 -11.153 1.00 0.00 N ATOM 957 CA LYS A 60 -1.359 -11.299 -11.923 1.00 0.00 C ATOM 958 C LYS A 60 -0.152 -10.463 -11.496 1.00 0.00 C ATOM 959 O LYS A 60 0.972 -10.963 -11.530 1.00 0.00 O ATOM 960 CB LYS A 60 -1.645 -11.142 -13.426 1.00 0.00 C ATOM 961 CG LYS A 60 -1.680 -12.480 -14.187 1.00 0.00 C ATOM 962 CD LYS A 60 -2.810 -13.442 -13.781 1.00 0.00 C ATOM 963 CE LYS A 60 -4.148 -13.061 -14.415 1.00 0.00 C ATOM 964 NZ LYS A 60 -5.232 -13.964 -13.975 1.00 0.00 N ATOM 0 H LYS A 60 -3.351 -10.698 -11.726 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.090 -12.335 -11.715 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.601 -10.635 -13.555 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.882 -10.501 -13.868 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.770 -12.270 -15.253 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.726 -12.986 -14.042 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.545 -14.457 -14.078 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.911 -13.443 -12.696 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.398 -12.034 -14.150 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.061 -13.097 -15.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.126 -13.678 -14.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.004 -14.941 -14.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.331 -13.910 -12.941 1.00 0.00 H new ATOM 978 N LYS A 61 -0.332 -9.198 -11.106 1.00 0.00 N ATOM 979 CA LYS A 61 0.762 -8.416 -10.520 1.00 0.00 C ATOM 980 C LYS A 61 1.157 -9.000 -9.167 1.00 0.00 C ATOM 981 O LYS A 61 2.342 -9.261 -8.950 1.00 0.00 O ATOM 982 CB LYS A 61 0.414 -6.920 -10.427 1.00 0.00 C ATOM 983 CG LYS A 61 0.235 -6.343 -11.835 1.00 0.00 C ATOM 984 CD LYS A 61 0.105 -4.820 -11.934 1.00 0.00 C ATOM 985 CE LYS A 61 1.434 -4.120 -11.637 1.00 0.00 C ATOM 986 NZ LYS A 61 1.431 -2.718 -12.094 1.00 0.00 N ATOM 0 H LYS A 61 -1.217 -8.696 -11.184 1.00 0.00 H new ATOM 0 HA LYS A 61 1.625 -8.484 -11.183 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.500 -6.785 -9.849 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.205 -6.385 -9.902 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.085 -6.654 -12.442 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.654 -6.792 -12.278 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.235 -4.548 -12.933 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.654 -4.473 -11.233 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.630 -4.152 -10.565 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.246 -4.659 -12.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.999 -2.139 -11.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.838 -2.663 -13.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.454 -2.361 -12.113 1.00 0.00 H new ATOM 1000 N ARG A 62 0.191 -9.257 -8.275 1.00 0.00 N ATOM 1001 CA ARG A 62 0.503 -9.903 -6.992 1.00 0.00 C ATOM 1002 C ARG A 62 1.218 -11.253 -7.182 1.00 0.00 C ATOM 1003 O ARG A 62 2.097 -11.575 -6.384 1.00 0.00 O ATOM 1004 CB ARG A 62 -0.743 -10.025 -6.091 1.00 0.00 C ATOM 1005 CG ARG A 62 -0.362 -10.714 -4.766 1.00 0.00 C ATOM 1006 CD ARG A 62 -1.398 -10.606 -3.642 1.00 0.00 C ATOM 1007 NE ARG A 62 -1.388 -11.839 -2.830 1.00 0.00 N ATOM 1008 CZ ARG A 62 -2.262 -12.853 -2.893 1.00 0.00 C ATOM 1009 NH1 ARG A 62 -3.411 -12.717 -3.551 1.00 0.00 N ATOM 1010 NH2 ARG A 62 -1.984 -14.005 -2.295 1.00 0.00 N ATOM 0 H ARG A 62 -0.795 -9.033 -8.413 1.00 0.00 H new ATOM 0 HA ARG A 62 1.204 -9.251 -6.472 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -1.158 -9.037 -5.892 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.517 -10.599 -6.601 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.178 -11.770 -4.966 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.577 -10.288 -4.413 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.176 -9.744 -3.013 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.390 -10.446 -4.064 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.635 -11.929 -2.148 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.633 -11.835 -4.013 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.070 -13.495 -3.593 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.106 -14.118 -1.788 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.648 -14.777 -2.342 1.00 0.00 H new ATOM 1024 N GLU A 63 0.876 -12.034 -8.209 1.00 0.00 N ATOM 1025 CA GLU A 63 1.496 -13.328 -8.491 1.00 0.00 C ATOM 1026 C GLU A 63 3.006 -13.181 -8.685 1.00 0.00 C ATOM 1027 O GLU A 63 3.747 -14.083 -8.300 1.00 0.00 O ATOM 1028 CB GLU A 63 0.880 -13.992 -9.738 1.00 0.00 C ATOM 1029 CG GLU A 63 -0.500 -14.617 -9.493 1.00 0.00 C ATOM 1030 CD GLU A 63 -1.080 -15.337 -10.723 1.00 0.00 C ATOM 1031 OE1 GLU A 63 -0.830 -14.909 -11.874 1.00 0.00 O ATOM 1032 OE2 GLU A 63 -1.806 -16.338 -10.521 1.00 0.00 O ATOM 0 H GLU A 63 0.149 -11.780 -8.878 1.00 0.00 H new ATOM 0 HA GLU A 63 1.306 -13.967 -7.628 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.795 -13.247 -10.529 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.559 -14.765 -10.099 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.427 -15.326 -8.669 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.193 -13.836 -9.180 1.00 0.00 H new ATOM 1039 N LEU A 64 3.477 -12.057 -9.241 1.00 0.00 N ATOM 1040 CA LEU A 64 4.907 -11.818 -9.410 1.00 0.00 C ATOM 1041 C LEU A 64 5.530 -11.525 -8.055 1.00 0.00 C ATOM 1042 O LEU A 64 6.497 -12.161 -7.656 1.00 0.00 O ATOM 1043 CB LEU A 64 5.206 -10.637 -10.352 1.00 0.00 C ATOM 1044 CG LEU A 64 4.473 -10.576 -11.690 1.00 0.00 C ATOM 1045 CD1 LEU A 64 5.164 -9.538 -12.578 1.00 0.00 C ATOM 1046 CD2 LEU A 64 4.476 -11.946 -12.345 1.00 0.00 C ATOM 0 H LEU A 64 2.883 -11.300 -9.580 1.00 0.00 H new ATOM 0 HA LEU A 64 5.331 -12.717 -9.857 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.988 -9.716 -9.811 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.276 -10.639 -10.559 1.00 0.00 H new ATOM 0 HG LEU A 64 3.434 -10.282 -11.540 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.652 -9.482 -13.539 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.130 -8.563 -12.092 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.202 -9.829 -12.737 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.951 -11.894 -13.299 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.504 -12.267 -12.513 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.975 -12.662 -11.694 1.00 0.00 H new ATOM 1058 N TYR A 65 4.960 -10.546 -7.357 1.00 0.00 N ATOM 1059 CA TYR A 65 5.384 -10.056 -6.059 1.00 0.00 C ATOM 1060 C TYR A 65 5.548 -11.177 -5.033 1.00 0.00 C ATOM 1061 O TYR A 65 6.499 -11.176 -4.254 1.00 0.00 O ATOM 1062 CB TYR A 65 4.353 -9.015 -5.628 1.00 0.00 C ATOM 1063 CG TYR A 65 4.388 -8.682 -4.161 1.00 0.00 C ATOM 1064 CD1 TYR A 65 5.390 -7.835 -3.672 1.00 0.00 C ATOM 1065 CD2 TYR A 65 3.442 -9.248 -3.286 1.00 0.00 C ATOM 1066 CE1 TYR A 65 5.429 -7.529 -2.305 1.00 0.00 C ATOM 1067 CE2 TYR A 65 3.480 -8.958 -1.914 1.00 0.00 C ATOM 1068 CZ TYR A 65 4.479 -8.088 -1.418 1.00 0.00 C ATOM 1069 OH TYR A 65 4.522 -7.786 -0.094 1.00 0.00 O ATOM 0 H TYR A 65 4.142 -10.048 -7.708 1.00 0.00 H new ATOM 0 HA TYR A 65 6.375 -9.607 -6.127 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.515 -8.102 -6.200 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.358 -9.379 -5.883 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.127 -7.421 -4.343 1.00 0.00 H new ATOM 0 HD2 TYR A 65 2.682 -9.910 -3.673 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.189 -6.862 -1.926 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.754 -9.394 -1.244 1.00 0.00 H new ATOM 0 HH TYR A 65 3.644 -7.953 0.308 1.00 0.00 H new ATOM 1079 N ASP A 66 4.661 -12.172 -5.068 1.00 0.00 N ATOM 1080 CA ASP A 66 4.711 -13.377 -4.238 1.00 0.00 C ATOM 1081 C ASP A 66 6.081 -14.066 -4.275 1.00 0.00 C ATOM 1082 O ASP A 66 6.580 -14.515 -3.236 1.00 0.00 O ATOM 1083 CB ASP A 66 3.650 -14.344 -4.759 1.00 0.00 C ATOM 1084 CG ASP A 66 3.637 -15.640 -3.962 1.00 0.00 C ATOM 1085 OD1 ASP A 66 4.376 -16.580 -4.326 1.00 0.00 O ATOM 1086 OD2 ASP A 66 2.806 -15.768 -3.035 1.00 0.00 O ATOM 0 H ASP A 66 3.859 -12.161 -5.698 1.00 0.00 H new ATOM 0 HA ASP A 66 4.529 -13.089 -3.203 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.669 -13.873 -4.705 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.841 -14.564 -5.809 1.00 0.00 H new ATOM 1091 N LYS A 67 6.694 -14.104 -5.460 1.00 0.00 N ATOM 1092 CA LYS A 67 8.017 -14.671 -5.718 1.00 0.00 C ATOM 1093 C LYS A 67 9.088 -13.609 -5.984 1.00 0.00 C ATOM 1094 O LYS A 67 10.207 -13.968 -6.362 1.00 0.00 O ATOM 1095 CB LYS A 67 7.939 -15.718 -6.837 1.00 0.00 C ATOM 1096 CG LYS A 67 7.360 -15.170 -8.151 1.00 0.00 C ATOM 1097 CD LYS A 67 7.587 -16.130 -9.324 1.00 0.00 C ATOM 1098 CE LYS A 67 9.032 -15.992 -9.828 1.00 0.00 C ATOM 1099 NZ LYS A 67 9.489 -17.187 -10.572 1.00 0.00 N ATOM 0 H LYS A 67 6.262 -13.723 -6.302 1.00 0.00 H new ATOM 0 HA LYS A 67 8.339 -15.172 -4.805 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.938 -16.111 -7.026 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.326 -16.554 -6.500 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.291 -14.992 -8.030 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.820 -14.208 -8.376 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.397 -17.156 -9.010 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.887 -15.908 -10.130 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.107 -15.116 -10.473 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.695 -15.821 -8.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.469 -17.044 -10.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.445 -18.020 -9.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.875 -17.338 -11.398 1.00 0.00 H new