USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 512 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 10 ASN : amide:sc= -4.32! C(o=-4.3!,f=-4.6!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0.691 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -3.1! C(o=-3.1!,f=-8.2!) USER MOD Single : A 41 LYS NZ :NH3+ 158:sc= -0.0603 (180deg=-0.348) USER MOD Single : A 42 ASN : amide:sc= 1.11 K(o=1.1,f=-0.28) USER MOD Single : A 45 ASN : amide:sc= -0.991 K(o=-0.99,f=-4.4!) USER MOD Single : A 46 LYS NZ :NH3+ -143:sc= 1.22 (180deg=-0.919) USER MOD Single : A 51 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0248) USER MOD Single : A 52 LYS NZ :NH3+ -158:sc= -0.061 (180deg=-0.458) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 104:sc= 1.17 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.774 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0122) USER MOD Single : A 68 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.253) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N ASN A 10 -1.454 5.315 -4.632 1.00 0.00 N ATOM 94 CA ASN A 10 -2.381 4.193 -4.537 1.00 0.00 C ATOM 95 C ASN A 10 -1.698 2.974 -3.924 1.00 0.00 C ATOM 96 O ASN A 10 -0.611 2.580 -4.347 1.00 0.00 O ATOM 97 CB ASN A 10 -2.932 3.841 -5.920 1.00 0.00 C ATOM 98 CG ASN A 10 -1.950 4.156 -7.031 1.00 0.00 C ATOM 99 OD1 ASN A 10 -0.748 4.280 -6.796 1.00 0.00 O ATOM 100 ND2 ASN A 10 -2.458 4.288 -8.251 1.00 0.00 N ATOM 0 HA ASN A 10 -3.206 4.489 -3.889 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -3.182 2.780 -5.949 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.858 4.391 -6.090 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.845 4.500 -9.038 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.461 4.177 -8.401 1.00 0.00 H new ATOM 107 N TYR A 11 -2.344 2.380 -2.927 1.00 0.00 N ATOM 108 CA TYR A 11 -1.799 1.207 -2.254 1.00 0.00 C ATOM 109 C TYR A 11 -1.632 0.047 -3.232 1.00 0.00 C ATOM 110 O TYR A 11 -0.527 -0.462 -3.426 1.00 0.00 O ATOM 111 CB TYR A 11 -2.709 0.787 -1.099 1.00 0.00 C ATOM 112 CG TYR A 11 -2.769 1.798 0.024 1.00 0.00 C ATOM 113 CD1 TYR A 11 -1.608 2.357 0.543 1.00 0.00 C ATOM 114 CD2 TYR A 11 -3.986 2.195 0.564 1.00 0.00 C ATOM 115 CE1 TYR A 11 -1.658 3.281 1.569 1.00 0.00 C ATOM 116 CE2 TYR A 11 -4.045 3.119 1.589 1.00 0.00 C ATOM 117 CZ TYR A 11 -2.878 3.659 2.089 1.00 0.00 C ATOM 118 OH TYR A 11 -2.932 4.579 3.110 1.00 0.00 O ATOM 0 H TYR A 11 -3.246 2.692 -2.567 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.818 1.470 -1.858 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -3.716 0.622 -1.482 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -2.360 -0.166 -0.701 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.651 2.065 0.138 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -4.902 1.774 0.176 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.746 3.705 1.962 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -5.000 3.417 1.997 1.00 0.00 H new ATOM 0 HH TYR A 11 -3.867 4.736 3.360 1.00 0.00 H new ATOM 128 N TYR A 12 -2.735 -0.364 -3.846 1.00 0.00 N ATOM 129 CA TYR A 12 -2.713 -1.465 -4.802 1.00 0.00 C ATOM 130 C TYR A 12 -1.478 -1.385 -5.695 1.00 0.00 C ATOM 131 O TYR A 12 -0.867 -2.402 -6.018 1.00 0.00 O ATOM 132 CB TYR A 12 -3.979 -1.448 -5.660 1.00 0.00 C ATOM 133 CG TYR A 12 -5.180 -2.063 -4.979 1.00 0.00 C ATOM 134 CD1 TYR A 12 -5.308 -3.442 -4.864 1.00 0.00 C ATOM 135 CD2 TYR A 12 -6.189 -1.266 -4.452 1.00 0.00 C ATOM 136 CE1 TYR A 12 -6.404 -4.009 -4.243 1.00 0.00 C ATOM 137 CE2 TYR A 12 -7.288 -1.824 -3.828 1.00 0.00 C ATOM 138 CZ TYR A 12 -7.391 -3.195 -3.726 1.00 0.00 C ATOM 139 OH TYR A 12 -8.485 -3.755 -3.107 1.00 0.00 O ATOM 0 H TYR A 12 -3.656 0.049 -3.699 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.675 -2.399 -4.242 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.212 -0.418 -5.928 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.785 -1.983 -6.589 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.537 -4.082 -5.267 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.113 -0.192 -4.532 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.488 -5.083 -4.163 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -8.062 -1.190 -3.422 1.00 0.00 H new ATOM 0 HH TYR A 12 -9.085 -3.045 -2.798 1.00 0.00 H new ATOM 149 N GLU A 13 -1.119 -0.167 -6.090 1.00 0.00 N ATOM 150 CA GLU A 13 0.042 0.046 -6.945 1.00 0.00 C ATOM 151 C GLU A 13 1.332 -0.299 -6.208 1.00 0.00 C ATOM 152 O GLU A 13 2.143 -1.092 -6.688 1.00 0.00 O ATOM 153 CB GLU A 13 0.089 1.498 -7.426 1.00 0.00 C ATOM 154 CG GLU A 13 -0.766 1.760 -8.654 1.00 0.00 C ATOM 155 CD GLU A 13 -0.402 0.865 -9.822 1.00 0.00 C ATOM 156 OE1 GLU A 13 0.794 0.808 -10.176 1.00 0.00 O ATOM 157 OE2 GLU A 13 -1.313 0.220 -10.382 1.00 0.00 O ATOM 0 H GLU A 13 -1.615 0.686 -5.832 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.049 -0.613 -7.808 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.241 2.151 -6.618 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.122 1.765 -7.649 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.815 1.610 -8.400 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.656 2.803 -8.952 1.00 0.00 H new ATOM 164 N VAL A 14 1.517 0.303 -5.037 1.00 0.00 N ATOM 165 CA VAL A 14 2.708 0.059 -4.232 1.00 0.00 C ATOM 166 C VAL A 14 3.044 -1.427 -4.183 1.00 0.00 C ATOM 167 O VAL A 14 4.197 -1.820 -4.367 1.00 0.00 O ATOM 168 CB VAL A 14 2.529 0.581 -2.793 1.00 0.00 C ATOM 169 CG1 VAL A 14 3.733 0.215 -1.939 1.00 0.00 C ATOM 170 CG2 VAL A 14 2.305 2.086 -2.797 1.00 0.00 C ATOM 0 H VAL A 14 0.857 0.963 -4.625 1.00 0.00 H new ATOM 0 HA VAL A 14 3.527 0.598 -4.708 1.00 0.00 H new ATOM 0 HB VAL A 14 1.649 0.107 -2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.589 0.592 -0.926 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.843 -0.869 -1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.631 0.660 -2.367 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.180 2.438 -1.773 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.165 2.581 -3.249 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.409 2.319 -3.372 1.00 0.00 H new ATOM 180 N LEU A 15 2.031 -2.249 -3.934 1.00 0.00 N ATOM 181 CA LEU A 15 2.219 -3.694 -3.862 1.00 0.00 C ATOM 182 C LEU A 15 2.331 -4.299 -5.258 1.00 0.00 C ATOM 183 O LEU A 15 3.166 -5.169 -5.503 1.00 0.00 O ATOM 184 CB LEU A 15 1.058 -4.342 -3.105 1.00 0.00 C ATOM 185 CG LEU A 15 1.119 -4.253 -1.580 1.00 0.00 C ATOM 186 CD1 LEU A 15 -0.283 -4.213 -0.991 1.00 0.00 C ATOM 187 CD2 LEU A 15 1.906 -5.424 -1.009 1.00 0.00 C ATOM 0 H LEU A 15 1.071 -1.940 -3.779 1.00 0.00 H new ATOM 0 HA LEU A 15 3.148 -3.888 -3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.129 -3.879 -3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.009 -5.394 -3.386 1.00 0.00 H new ATOM 0 HG LEU A 15 1.631 -3.330 -1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.220 -4.150 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.814 -3.342 -1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.821 -5.119 -1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.939 -5.345 0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.422 -6.359 -1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.921 -5.408 -1.405 1.00 0.00 H new ATOM 199 N GLY A 16 1.485 -3.831 -6.170 1.00 0.00 N ATOM 200 CA GLY A 16 1.507 -4.336 -7.531 1.00 0.00 C ATOM 201 C GLY A 16 0.410 -5.349 -7.791 1.00 0.00 C ATOM 202 O GLY A 16 0.640 -6.370 -8.440 1.00 0.00 O ATOM 0 H GLY A 16 0.785 -3.111 -5.991 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.400 -3.503 -8.226 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.476 -4.795 -7.729 1.00 0.00 H new ATOM 206 N VAL A 17 -0.785 -5.069 -7.283 1.00 0.00 N ATOM 207 CA VAL A 17 -1.922 -5.965 -7.463 1.00 0.00 C ATOM 208 C VAL A 17 -3.214 -5.180 -7.657 1.00 0.00 C ATOM 209 O VAL A 17 -3.272 -3.982 -7.381 1.00 0.00 O ATOM 210 CB VAL A 17 -2.085 -6.913 -6.260 1.00 0.00 C ATOM 211 CG1 VAL A 17 -0.831 -7.751 -6.066 1.00 0.00 C ATOM 212 CG2 VAL A 17 -2.410 -6.124 -5.001 1.00 0.00 C ATOM 0 H VAL A 17 -0.992 -4.229 -6.743 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.722 -6.556 -8.357 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.916 -7.589 -6.462 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.965 -8.414 -5.212 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.648 -8.345 -6.961 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.021 -7.095 -5.886 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.522 -6.809 -4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.602 -5.423 -4.792 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.339 -5.574 -5.146 1.00 0.00 H new ATOM 222 N GLN A 18 -4.249 -5.864 -8.134 1.00 0.00 N ATOM 223 CA GLN A 18 -5.542 -5.230 -8.366 1.00 0.00 C ATOM 224 C GLN A 18 -6.591 -5.762 -7.395 1.00 0.00 C ATOM 225 O GLN A 18 -6.452 -6.860 -6.856 1.00 0.00 O ATOM 226 CB GLN A 18 -5.998 -5.465 -9.807 1.00 0.00 C ATOM 227 CG GLN A 18 -5.186 -4.695 -10.835 1.00 0.00 C ATOM 228 CD GLN A 18 -5.590 -5.020 -12.260 1.00 0.00 C ATOM 229 OE1 GLN A 18 -6.279 -6.009 -12.512 1.00 0.00 O ATOM 230 NE2 GLN A 18 -5.163 -4.187 -13.201 1.00 0.00 N ATOM 0 H GLN A 18 -4.218 -6.856 -8.367 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.428 -4.159 -8.199 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.935 -6.530 -10.030 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -7.047 -5.182 -9.898 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.308 -3.626 -10.662 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.128 -4.921 -10.701 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.594 -3.379 -12.947 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.404 -4.354 -14.178 1.00 0.00 H new ATOM 239 N ALA A 19 -7.640 -4.976 -7.175 1.00 0.00 N ATOM 240 CA ALA A 19 -8.713 -5.369 -6.270 1.00 0.00 C ATOM 241 C ALA A 19 -9.183 -6.790 -6.561 1.00 0.00 C ATOM 242 O ALA A 19 -9.375 -7.590 -5.645 1.00 0.00 O ATOM 243 CB ALA A 19 -9.876 -4.394 -6.376 1.00 0.00 C ATOM 0 H ALA A 19 -7.769 -4.063 -7.611 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.324 -5.344 -5.252 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.670 -4.700 -5.695 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.536 -3.393 -6.112 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.256 -4.390 -7.398 1.00 0.00 H new ATOM 249 N SER A 20 -9.367 -7.098 -7.841 1.00 0.00 N ATOM 250 CA SER A 20 -9.820 -8.422 -8.251 1.00 0.00 C ATOM 251 C SER A 20 -8.919 -9.508 -7.671 1.00 0.00 C ATOM 252 O SER A 20 -9.343 -10.648 -7.483 1.00 0.00 O ATOM 253 CB SER A 20 -9.844 -8.525 -9.777 1.00 0.00 C ATOM 254 OG SER A 20 -8.605 -8.125 -10.336 1.00 0.00 O ATOM 0 H SER A 20 -9.209 -6.449 -8.612 1.00 0.00 H new ATOM 0 HA SER A 20 -10.830 -8.569 -7.868 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.065 -9.551 -10.072 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.644 -7.900 -10.174 1.00 0.00 H new ATOM 0 HG SER A 20 -8.646 -8.202 -11.312 1.00 0.00 H new ATOM 260 N ALA A 21 -7.672 -9.145 -7.389 1.00 0.00 N ATOM 261 CA ALA A 21 -6.710 -10.087 -6.828 1.00 0.00 C ATOM 262 C ALA A 21 -7.249 -10.729 -5.555 1.00 0.00 C ATOM 263 O ALA A 21 -7.959 -10.090 -4.778 1.00 0.00 O ATOM 264 CB ALA A 21 -5.388 -9.388 -6.550 1.00 0.00 C ATOM 0 H ALA A 21 -7.304 -8.206 -7.540 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.544 -10.878 -7.560 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.679 -10.103 -6.132 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.988 -8.983 -7.479 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.548 -8.577 -5.839 1.00 0.00 H new ATOM 270 N SER A 22 -6.909 -11.997 -5.347 1.00 0.00 N ATOM 271 CA SER A 22 -7.363 -12.727 -4.169 1.00 0.00 C ATOM 272 C SER A 22 -6.621 -12.260 -2.921 1.00 0.00 C ATOM 273 O SER A 22 -5.561 -11.637 -2.994 1.00 0.00 O ATOM 274 CB SER A 22 -7.158 -14.231 -4.365 1.00 0.00 C ATOM 275 OG SER A 22 -8.310 -14.833 -4.929 1.00 0.00 O ATOM 0 H SER A 22 -6.321 -12.540 -5.979 1.00 0.00 H new ATOM 0 HA SER A 22 -8.426 -12.526 -4.035 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.299 -14.403 -5.014 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.932 -14.698 -3.407 1.00 0.00 H new ATOM 0 HG SER A 22 -8.153 -15.793 -5.046 1.00 0.00 H new ATOM 281 N PRO A 23 -7.190 -12.567 -1.746 1.00 0.00 N ATOM 282 CA PRO A 23 -6.601 -12.189 -0.458 1.00 0.00 C ATOM 283 C PRO A 23 -5.325 -12.966 -0.154 1.00 0.00 C ATOM 284 O PRO A 23 -4.629 -12.678 0.819 1.00 0.00 O ATOM 285 CB PRO A 23 -7.696 -12.543 0.551 1.00 0.00 C ATOM 286 CG PRO A 23 -8.490 -13.614 -0.112 1.00 0.00 C ATOM 287 CD PRO A 23 -8.453 -13.306 -1.584 1.00 0.00 C ATOM 0 HA PRO A 23 -6.307 -11.140 -0.437 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.270 -12.891 1.492 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.316 -11.677 0.783 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -8.066 -14.597 0.092 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -9.515 -13.626 0.259 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -8.467 -14.215 -2.185 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.311 -12.708 -1.891 1.00 0.00 H new ATOM 295 N GLU A 24 -5.024 -13.952 -0.994 1.00 0.00 N ATOM 296 CA GLU A 24 -3.831 -14.771 -0.813 1.00 0.00 C ATOM 297 C GLU A 24 -2.669 -14.229 -1.641 1.00 0.00 C ATOM 298 O GLU A 24 -1.525 -14.209 -1.186 1.00 0.00 O ATOM 299 CB GLU A 24 -4.117 -16.222 -1.204 1.00 0.00 C ATOM 300 CG GLU A 24 -3.148 -17.220 -0.593 1.00 0.00 C ATOM 301 CD GLU A 24 -3.679 -18.640 -0.616 1.00 0.00 C ATOM 302 OE1 GLU A 24 -4.367 -19.000 -1.594 1.00 0.00 O ATOM 303 OE2 GLU A 24 -3.408 -19.390 0.345 1.00 0.00 O ATOM 0 H GLU A 24 -5.589 -14.203 -1.805 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.553 -14.735 0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.131 -16.479 -0.897 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.080 -16.311 -2.290 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.203 -17.181 -1.135 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.937 -16.932 0.437 1.00 0.00 H new ATOM 310 N ASP A 25 -2.971 -13.792 -2.858 1.00 0.00 N ATOM 311 CA ASP A 25 -1.953 -13.249 -3.750 1.00 0.00 C ATOM 312 C ASP A 25 -1.289 -12.022 -3.135 1.00 0.00 C ATOM 313 O ASP A 25 -0.068 -11.871 -3.191 1.00 0.00 O ATOM 314 CB ASP A 25 -2.570 -12.887 -5.102 1.00 0.00 C ATOM 315 CG ASP A 25 -2.638 -14.073 -6.044 1.00 0.00 C ATOM 316 OD1 ASP A 25 -1.621 -14.361 -6.709 1.00 0.00 O ATOM 317 OD2 ASP A 25 -3.708 -14.712 -6.118 1.00 0.00 O ATOM 0 H ASP A 25 -3.913 -13.803 -3.250 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.191 -14.014 -3.900 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.574 -12.493 -4.946 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.984 -12.093 -5.564 1.00 0.00 H new ATOM 322 N ILE A 26 -2.100 -11.148 -2.548 1.00 0.00 N ATOM 323 CA ILE A 26 -1.591 -9.934 -1.922 1.00 0.00 C ATOM 324 C ILE A 26 -0.673 -10.264 -0.750 1.00 0.00 C ATOM 325 O ILE A 26 0.372 -9.637 -0.570 1.00 0.00 O ATOM 326 CB ILE A 26 -2.737 -9.034 -1.425 1.00 0.00 C ATOM 327 CG1 ILE A 26 -3.633 -8.619 -2.594 1.00 0.00 C ATOM 328 CG2 ILE A 26 -2.179 -7.808 -0.717 1.00 0.00 C ATOM 329 CD1 ILE A 26 -5.070 -8.367 -2.193 1.00 0.00 C ATOM 0 H ILE A 26 -3.113 -11.258 -2.493 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.025 -9.399 -2.684 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.339 -9.598 -0.713 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.227 -7.716 -3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.608 -9.399 -3.355 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.001 -7.182 -0.371 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.579 -8.123 0.137 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.556 -7.240 -1.409 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.647 -8.077 -3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.493 -9.276 -1.765 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.107 -7.567 -1.454 1.00 0.00 H new ATOM 341 N LYS A 27 -1.068 -11.252 0.044 1.00 0.00 N ATOM 342 CA LYS A 27 -0.281 -11.669 1.198 1.00 0.00 C ATOM 343 C LYS A 27 1.110 -12.129 0.771 1.00 0.00 C ATOM 344 O LYS A 27 2.119 -11.661 1.298 1.00 0.00 O ATOM 345 CB LYS A 27 -0.994 -12.796 1.949 1.00 0.00 C ATOM 346 CG LYS A 27 -1.994 -12.302 2.979 1.00 0.00 C ATOM 347 CD LYS A 27 -2.691 -13.458 3.679 1.00 0.00 C ATOM 348 CE LYS A 27 -1.766 -14.148 4.669 1.00 0.00 C ATOM 349 NZ LYS A 27 -2.522 -14.973 5.652 1.00 0.00 N ATOM 0 H LYS A 27 -1.930 -11.780 -0.091 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.173 -10.811 1.861 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.510 -13.431 1.229 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.250 -13.418 2.447 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.482 -11.684 3.717 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.736 -11.669 2.493 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.574 -13.090 4.200 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.036 -14.179 2.938 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.063 -14.781 4.128 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.178 -13.399 5.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.856 -15.427 6.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.175 -14.365 6.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.063 -15.704 5.148 1.00 0.00 H new ATOM 363 N LYS A 28 1.155 -13.047 -0.189 1.00 0.00 N ATOM 364 CA LYS A 28 2.421 -13.569 -0.690 1.00 0.00 C ATOM 365 C LYS A 28 3.262 -12.456 -1.307 1.00 0.00 C ATOM 366 O LYS A 28 4.468 -12.378 -1.077 1.00 0.00 O ATOM 367 CB LYS A 28 2.169 -14.667 -1.726 1.00 0.00 C ATOM 368 CG LYS A 28 1.364 -14.198 -2.926 1.00 0.00 C ATOM 369 CD LYS A 28 1.327 -15.253 -4.019 1.00 0.00 C ATOM 370 CE LYS A 28 0.273 -16.312 -3.735 1.00 0.00 C ATOM 371 NZ LYS A 28 -0.133 -17.036 -4.972 1.00 0.00 N ATOM 0 H LYS A 28 0.329 -13.445 -0.636 1.00 0.00 H new ATOM 0 HA LYS A 28 2.970 -13.991 0.152 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.127 -15.056 -2.071 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.644 -15.493 -1.247 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.347 -13.961 -2.613 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.798 -13.279 -3.320 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.118 -14.778 -4.978 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.306 -15.725 -4.104 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.661 -17.025 -3.008 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.602 -15.842 -3.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.852 -17.749 -4.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.527 -16.360 -5.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.697 -17.506 -5.388 1.00 0.00 H new ATOM 385 N ALA A 29 2.616 -11.598 -2.089 1.00 0.00 N ATOM 386 CA ALA A 29 3.305 -10.487 -2.736 1.00 0.00 C ATOM 387 C ALA A 29 4.061 -9.642 -1.717 1.00 0.00 C ATOM 388 O ALA A 29 5.205 -9.249 -1.948 1.00 0.00 O ATOM 389 CB ALA A 29 2.313 -9.628 -3.506 1.00 0.00 C ATOM 0 H ALA A 29 1.617 -11.650 -2.290 1.00 0.00 H new ATOM 0 HA ALA A 29 4.031 -10.900 -3.436 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.841 -8.803 -3.984 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.821 -10.234 -4.267 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.565 -9.231 -2.819 1.00 0.00 H new ATOM 395 N TYR A 30 3.415 -9.364 -0.590 1.00 0.00 N ATOM 396 CA TYR A 30 4.026 -8.562 0.463 1.00 0.00 C ATOM 397 C TYR A 30 5.257 -9.258 1.034 1.00 0.00 C ATOM 398 O TYR A 30 6.369 -8.735 0.961 1.00 0.00 O ATOM 399 CB TYR A 30 3.015 -8.294 1.580 1.00 0.00 C ATOM 400 CG TYR A 30 3.645 -8.159 2.948 1.00 0.00 C ATOM 401 CD1 TYR A 30 4.136 -6.937 3.391 1.00 0.00 C ATOM 402 CD2 TYR A 30 3.750 -9.253 3.797 1.00 0.00 C ATOM 403 CE1 TYR A 30 4.713 -6.809 4.639 1.00 0.00 C ATOM 404 CE2 TYR A 30 4.324 -9.135 5.048 1.00 0.00 C ATOM 405 CZ TYR A 30 4.805 -7.910 5.464 1.00 0.00 C ATOM 406 OH TYR A 30 5.378 -7.787 6.709 1.00 0.00 O ATOM 0 H TYR A 30 2.468 -9.682 -0.382 1.00 0.00 H new ATOM 0 HA TYR A 30 4.337 -7.613 0.027 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.466 -7.381 1.350 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.288 -9.106 1.603 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.065 -6.072 2.748 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.376 -10.213 3.473 1.00 0.00 H new ATOM 0 HE1 TYR A 30 5.090 -5.852 4.967 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.396 -9.996 5.696 1.00 0.00 H new ATOM 0 HH TYR A 30 5.363 -8.655 7.163 1.00 0.00 H new ATOM 416 N ARG A 31 5.051 -10.443 1.600 1.00 0.00 N ATOM 417 CA ARG A 31 6.143 -11.212 2.184 1.00 0.00 C ATOM 418 C ARG A 31 7.420 -11.050 1.365 1.00 0.00 C ATOM 419 O ARG A 31 8.493 -10.795 1.911 1.00 0.00 O ATOM 420 CB ARG A 31 5.764 -12.691 2.270 1.00 0.00 C ATOM 421 CG ARG A 31 4.523 -12.954 3.106 1.00 0.00 C ATOM 422 CD ARG A 31 4.386 -14.429 3.452 1.00 0.00 C ATOM 423 NE ARG A 31 3.709 -14.631 4.730 1.00 0.00 N ATOM 424 CZ ARG A 31 3.371 -15.826 5.202 1.00 0.00 C ATOM 425 NH1 ARG A 31 3.645 -16.920 4.504 1.00 0.00 N ATOM 426 NH2 ARG A 31 2.757 -15.928 6.374 1.00 0.00 N ATOM 0 H ARG A 31 4.137 -10.891 1.666 1.00 0.00 H new ATOM 0 HA ARG A 31 6.325 -10.832 3.189 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.601 -13.075 1.263 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.601 -13.248 2.692 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.570 -12.367 4.023 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.639 -12.623 2.561 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.830 -14.936 2.663 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.375 -14.886 3.490 1.00 0.00 H new ATOM 0 HE ARG A 31 3.483 -13.810 5.291 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.116 -16.845 3.603 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.384 -17.836 4.869 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.544 -15.089 6.913 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.498 -16.846 6.736 1.00 0.00 H new ATOM 440 N LYS A 32 7.297 -11.199 0.050 1.00 0.00 N ATOM 441 CA LYS A 32 8.440 -11.069 -0.846 1.00 0.00 C ATOM 442 C LYS A 32 8.870 -9.611 -0.970 1.00 0.00 C ATOM 443 O LYS A 32 10.041 -9.280 -0.776 1.00 0.00 O ATOM 444 CB LYS A 32 8.097 -11.630 -2.228 1.00 0.00 C ATOM 445 CG LYS A 32 8.203 -13.143 -2.314 1.00 0.00 C ATOM 446 CD LYS A 32 6.961 -13.821 -1.758 1.00 0.00 C ATOM 447 CE LYS A 32 6.959 -15.312 -2.058 1.00 0.00 C ATOM 448 NZ LYS A 32 7.924 -16.052 -1.198 1.00 0.00 N ATOM 0 H LYS A 32 6.416 -11.410 -0.419 1.00 0.00 H new ATOM 0 HA LYS A 32 9.268 -11.639 -0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.083 -11.330 -2.491 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.763 -11.185 -2.967 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.347 -13.440 -3.353 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.080 -13.479 -1.762 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.912 -13.665 -0.680 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.071 -13.361 -2.187 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.956 -15.712 -1.906 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.210 -15.472 -3.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.893 -17.065 -1.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.884 -15.688 -1.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.670 -15.921 -0.198 1.00 0.00 H new ATOM 462 N LEU A 33 7.918 -8.743 -1.292 1.00 0.00 N ATOM 463 CA LEU A 33 8.199 -7.319 -1.441 1.00 0.00 C ATOM 464 C LEU A 33 9.081 -6.817 -0.303 1.00 0.00 C ATOM 465 O LEU A 33 10.133 -6.222 -0.536 1.00 0.00 O ATOM 466 CB LEU A 33 6.893 -6.523 -1.478 1.00 0.00 C ATOM 467 CG LEU A 33 6.135 -6.539 -2.806 1.00 0.00 C ATOM 468 CD1 LEU A 33 4.738 -5.964 -2.631 1.00 0.00 C ATOM 469 CD2 LEU A 33 6.903 -5.765 -3.868 1.00 0.00 C ATOM 0 H LEU A 33 6.944 -9.000 -1.455 1.00 0.00 H new ATOM 0 HA LEU A 33 8.732 -7.175 -2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.233 -6.909 -0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.115 -5.487 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 33 6.041 -7.574 -3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.214 -5.984 -3.587 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.188 -6.560 -1.903 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.810 -4.935 -2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.349 -5.787 -4.806 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.029 -4.732 -3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.882 -6.221 -4.014 1.00 0.00 H new ATOM 481 N ALA A 34 8.647 -7.063 0.929 1.00 0.00 N ATOM 482 CA ALA A 34 9.399 -6.639 2.103 1.00 0.00 C ATOM 483 C ALA A 34 10.890 -6.907 1.926 1.00 0.00 C ATOM 484 O ALA A 34 11.722 -6.033 2.171 1.00 0.00 O ATOM 485 CB ALA A 34 8.878 -7.344 3.347 1.00 0.00 C ATOM 0 H ALA A 34 7.778 -7.554 1.140 1.00 0.00 H new ATOM 0 HA ALA A 34 9.261 -5.564 2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.449 -7.018 4.216 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.826 -7.098 3.491 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.985 -8.422 3.226 1.00 0.00 H new ATOM 491 N LEU A 35 11.221 -8.121 1.500 1.00 0.00 N ATOM 492 CA LEU A 35 12.613 -8.505 1.290 1.00 0.00 C ATOM 493 C LEU A 35 13.177 -7.845 0.036 1.00 0.00 C ATOM 494 O LEU A 35 14.338 -7.436 0.007 1.00 0.00 O ATOM 495 CB LEU A 35 12.731 -10.026 1.177 1.00 0.00 C ATOM 496 CG LEU A 35 12.925 -10.784 2.491 1.00 0.00 C ATOM 497 CD1 LEU A 35 12.536 -12.245 2.327 1.00 0.00 C ATOM 498 CD2 LEU A 35 14.364 -10.664 2.969 1.00 0.00 C ATOM 0 H LEU A 35 10.545 -8.856 1.293 1.00 0.00 H new ATOM 0 HA LEU A 35 13.192 -8.164 2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.832 -10.405 0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.569 -10.257 0.520 1.00 0.00 H new ATOM 0 HG LEU A 35 12.275 -10.339 3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.681 -12.768 3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.489 -12.312 2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.159 -12.704 1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 35 14.483 -11.210 3.905 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.033 -11.083 2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.608 -9.614 3.128 1.00 0.00 H new ATOM 510 N ARG A 36 12.347 -7.743 -0.997 1.00 0.00 N ATOM 511 CA ARG A 36 12.763 -7.132 -2.253 1.00 0.00 C ATOM 512 C ARG A 36 13.220 -5.693 -2.032 1.00 0.00 C ATOM 513 O ARG A 36 14.337 -5.324 -2.395 1.00 0.00 O ATOM 514 CB ARG A 36 11.616 -7.164 -3.265 1.00 0.00 C ATOM 515 CG ARG A 36 12.021 -6.715 -4.659 1.00 0.00 C ATOM 516 CD ARG A 36 11.988 -5.200 -4.788 1.00 0.00 C ATOM 517 NE ARG A 36 11.746 -4.773 -6.164 1.00 0.00 N ATOM 518 CZ ARG A 36 12.117 -3.590 -6.642 1.00 0.00 C ATOM 519 NH1 ARG A 36 12.743 -2.722 -5.860 1.00 0.00 N ATOM 520 NH2 ARG A 36 11.861 -3.274 -7.905 1.00 0.00 N ATOM 0 H ARG A 36 11.383 -8.076 -0.989 1.00 0.00 H new ATOM 0 HA ARG A 36 13.602 -7.706 -2.647 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.219 -8.178 -3.320 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.809 -6.525 -2.907 1.00 0.00 H new ATOM 0 HG2 ARG A 36 13.024 -7.078 -4.882 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.350 -7.159 -5.395 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.208 -4.798 -4.141 1.00 0.00 H new ATOM 0 HD3 ARG A 36 12.935 -4.786 -4.441 1.00 0.00 H new ATOM 0 HE ARG A 36 11.266 -5.418 -6.792 1.00 0.00 H new ATOM 0 HH11 ARG A 36 12.941 -2.961 -4.888 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.027 -1.815 -6.230 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.379 -3.939 -8.510 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.146 -2.366 -8.271 1.00 0.00 H new ATOM 534 N TRP A 37 12.350 -4.886 -1.437 1.00 0.00 N ATOM 535 CA TRP A 37 12.664 -3.487 -1.169 1.00 0.00 C ATOM 536 C TRP A 37 13.443 -3.345 0.134 1.00 0.00 C ATOM 537 O TRP A 37 13.531 -2.255 0.700 1.00 0.00 O ATOM 538 CB TRP A 37 11.380 -2.658 -1.102 1.00 0.00 C ATOM 539 CG TRP A 37 10.833 -2.301 -2.451 1.00 0.00 C ATOM 540 CD1 TRP A 37 9.718 -2.817 -3.047 1.00 0.00 C ATOM 541 CD2 TRP A 37 11.379 -1.351 -3.373 1.00 0.00 C ATOM 542 NE1 TRP A 37 9.537 -2.245 -4.283 1.00 0.00 N ATOM 543 CE2 TRP A 37 10.543 -1.342 -4.506 1.00 0.00 C ATOM 544 CE3 TRP A 37 12.492 -0.506 -3.351 1.00 0.00 C ATOM 545 CZ2 TRP A 37 10.787 -0.522 -5.605 1.00 0.00 C ATOM 546 CZ3 TRP A 37 12.733 0.307 -4.442 1.00 0.00 C ATOM 547 CH2 TRP A 37 11.883 0.295 -5.556 1.00 0.00 C ATOM 0 H TRP A 37 11.421 -5.176 -1.131 1.00 0.00 H new ATOM 0 HA TRP A 37 13.285 -3.117 -1.985 1.00 0.00 H new ATOM 0 HB2 TRP A 37 10.625 -3.215 -0.547 1.00 0.00 H new ATOM 0 HB3 TRP A 37 11.576 -1.743 -0.543 1.00 0.00 H new ATOM 0 HD1 TRP A 37 9.073 -3.565 -2.611 1.00 0.00 H new ATOM 0 HE1 TRP A 37 8.777 -2.458 -4.929 1.00 0.00 H new ATOM 0 HE3 TRP A 37 13.152 -0.489 -2.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 10.134 -0.531 -6.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 13.591 0.963 -4.436 1.00 0.00 H new ATOM 0 HH2 TRP A 37 12.097 0.944 -6.392 1.00 0.00 H new ATOM 558 N HIS A 38 14.009 -4.452 0.604 1.00 0.00 N ATOM 559 CA HIS A 38 14.783 -4.449 1.841 1.00 0.00 C ATOM 560 C HIS A 38 16.055 -3.621 1.684 1.00 0.00 C ATOM 561 O HIS A 38 16.729 -3.664 0.655 1.00 0.00 O ATOM 562 CB HIS A 38 15.138 -5.879 2.248 1.00 0.00 C ATOM 563 CG HIS A 38 15.442 -6.028 3.707 1.00 0.00 C ATOM 564 ND1 HIS A 38 16.692 -5.797 4.243 1.00 0.00 N ATOM 565 CD2 HIS A 38 14.650 -6.386 4.745 1.00 0.00 C ATOM 566 CE1 HIS A 38 16.656 -6.008 5.546 1.00 0.00 C ATOM 567 NE2 HIS A 38 15.428 -6.366 5.876 1.00 0.00 N ATOM 0 H HIS A 38 13.946 -5.362 0.148 1.00 0.00 H new ATOM 0 HA HIS A 38 14.172 -3.998 2.623 1.00 0.00 H new ATOM 0 HB2 HIS A 38 14.310 -6.538 1.989 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.001 -6.209 1.670 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.602 -6.640 4.693 1.00 0.00 H new ATOM 0 HE1 HIS A 38 17.489 -5.905 6.226 1.00 0.00 H new ATOM 0 HE2 HIS A 38 15.109 -6.591 6.818 1.00 0.00 H new ATOM 575 N PRO A 39 16.392 -2.849 2.727 1.00 0.00 N ATOM 576 CA PRO A 39 17.584 -1.996 2.729 1.00 0.00 C ATOM 577 C PRO A 39 18.875 -2.806 2.786 1.00 0.00 C ATOM 578 O PRO A 39 19.837 -2.510 2.077 1.00 0.00 O ATOM 579 CB PRO A 39 17.421 -1.160 4.000 1.00 0.00 C ATOM 580 CG PRO A 39 16.564 -1.990 4.893 1.00 0.00 C ATOM 581 CD PRO A 39 15.634 -2.748 3.986 1.00 0.00 C ATOM 0 HA PRO A 39 17.661 -1.401 1.819 1.00 0.00 H new ATOM 0 HB2 PRO A 39 18.386 -0.949 4.461 1.00 0.00 H new ATOM 0 HB3 PRO A 39 16.954 -0.199 3.784 1.00 0.00 H new ATOM 0 HG2 PRO A 39 17.169 -2.672 5.491 1.00 0.00 H new ATOM 0 HG3 PRO A 39 16.006 -1.365 5.590 1.00 0.00 H new ATOM 0 HD2 PRO A 39 15.392 -3.731 4.389 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.691 -2.220 3.846 1.00 0.00 H new ATOM 589 N ASP A 40 18.889 -3.829 3.634 1.00 0.00 N ATOM 590 CA ASP A 40 20.062 -4.683 3.783 1.00 0.00 C ATOM 591 C ASP A 40 20.417 -5.353 2.459 1.00 0.00 C ATOM 592 O ASP A 40 21.592 -5.509 2.125 1.00 0.00 O ATOM 593 CB ASP A 40 19.814 -5.744 4.856 1.00 0.00 C ATOM 594 CG ASP A 40 21.089 -6.444 5.283 1.00 0.00 C ATOM 595 OD1 ASP A 40 22.016 -6.548 4.452 1.00 0.00 O ATOM 596 OD2 ASP A 40 21.160 -6.887 6.448 1.00 0.00 O ATOM 0 H ASP A 40 18.101 -4.087 4.229 1.00 0.00 H new ATOM 0 HA ASP A 40 20.900 -4.057 4.090 1.00 0.00 H new ATOM 0 HB2 ASP A 40 19.351 -5.277 5.725 1.00 0.00 H new ATOM 0 HB3 ASP A 40 19.107 -6.482 4.477 1.00 0.00 H new ATOM 601 N LYS A 41 19.395 -5.750 1.710 1.00 0.00 N ATOM 602 CA LYS A 41 19.597 -6.404 0.422 1.00 0.00 C ATOM 603 C LYS A 41 20.089 -5.408 -0.623 1.00 0.00 C ATOM 604 O LYS A 41 20.678 -5.793 -1.632 1.00 0.00 O ATOM 605 CB LYS A 41 18.297 -7.057 -0.052 1.00 0.00 C ATOM 606 CG LYS A 41 18.010 -8.393 0.611 1.00 0.00 C ATOM 607 CD LYS A 41 17.399 -8.212 1.991 1.00 0.00 C ATOM 608 CE LYS A 41 17.756 -9.367 2.914 1.00 0.00 C ATOM 609 NZ LYS A 41 19.202 -9.367 3.269 1.00 0.00 N ATOM 0 H LYS A 41 18.417 -5.630 1.973 1.00 0.00 H new ATOM 0 HA LYS A 41 20.357 -7.175 0.550 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.467 -6.378 0.144 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.345 -7.199 -1.132 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.331 -8.972 -0.015 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.934 -8.965 0.694 1.00 0.00 H new ATOM 0 HD2 LYS A 41 17.750 -7.276 2.425 1.00 0.00 H new ATOM 0 HD3 LYS A 41 16.315 -8.136 1.903 1.00 0.00 H new ATOM 0 HE2 LYS A 41 17.159 -9.303 3.824 1.00 0.00 H new ATOM 0 HE3 LYS A 41 17.501 -10.310 2.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 19.343 -9.900 4.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 19.747 -9.813 2.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.527 -8.388 3.400 1.00 0.00 H new ATOM 623 N ASN A 42 19.843 -4.126 -0.373 1.00 0.00 N ATOM 624 CA ASN A 42 20.262 -3.074 -1.293 1.00 0.00 C ATOM 625 C ASN A 42 21.404 -2.255 -0.699 1.00 0.00 C ATOM 626 O ASN A 42 21.202 -1.391 0.155 1.00 0.00 O ATOM 627 CB ASN A 42 19.082 -2.159 -1.625 1.00 0.00 C ATOM 628 CG ASN A 42 18.050 -2.842 -2.503 1.00 0.00 C ATOM 629 OD1 ASN A 42 18.290 -3.089 -3.685 1.00 0.00 O ATOM 630 ND2 ASN A 42 16.894 -3.149 -1.926 1.00 0.00 N ATOM 0 H ASN A 42 19.356 -3.790 0.458 1.00 0.00 H new ATOM 0 HA ASN A 42 20.616 -3.546 -2.209 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.608 -1.831 -0.700 1.00 0.00 H new ATOM 0 HB3 ASN A 42 19.449 -1.265 -2.129 1.00 0.00 H new ATOM 0 HD21 ASN A 42 16.161 -3.609 -2.466 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.739 -2.925 -0.943 1.00 0.00 H new ATOM 637 N PRO A 43 22.632 -2.531 -1.160 1.00 0.00 N ATOM 638 CA PRO A 43 23.831 -1.830 -0.689 1.00 0.00 C ATOM 639 C PRO A 43 23.875 -0.379 -1.156 1.00 0.00 C ATOM 640 O PRO A 43 24.071 0.535 -0.356 1.00 0.00 O ATOM 641 CB PRO A 43 24.977 -2.628 -1.315 1.00 0.00 C ATOM 642 CG PRO A 43 24.382 -3.263 -2.524 1.00 0.00 C ATOM 643 CD PRO A 43 22.947 -3.548 -2.177 1.00 0.00 C ATOM 0 HA PRO A 43 23.873 -1.780 0.399 1.00 0.00 H new ATOM 0 HB2 PRO A 43 25.812 -1.980 -1.579 1.00 0.00 H new ATOM 0 HB3 PRO A 43 25.361 -3.377 -0.623 1.00 0.00 H new ATOM 0 HG2 PRO A 43 24.451 -2.601 -3.387 1.00 0.00 H new ATOM 0 HG3 PRO A 43 24.911 -4.180 -2.783 1.00 0.00 H new ATOM 0 HD2 PRO A 43 22.298 -3.459 -3.048 1.00 0.00 H new ATOM 0 HD3 PRO A 43 22.821 -4.558 -1.787 1.00 0.00 H new ATOM 651 N ASP A 44 23.691 -0.175 -2.456 1.00 0.00 N ATOM 652 CA ASP A 44 23.708 1.166 -3.030 1.00 0.00 C ATOM 653 C ASP A 44 22.781 2.099 -2.257 1.00 0.00 C ATOM 654 O ASP A 44 23.215 3.119 -1.724 1.00 0.00 O ATOM 655 CB ASP A 44 23.294 1.119 -4.501 1.00 0.00 C ATOM 656 CG ASP A 44 24.473 0.892 -5.427 1.00 0.00 C ATOM 657 OD1 ASP A 44 25.563 1.429 -5.142 1.00 0.00 O ATOM 658 OD2 ASP A 44 24.305 0.177 -6.438 1.00 0.00 O ATOM 0 H ASP A 44 23.528 -0.921 -3.132 1.00 0.00 H new ATOM 0 HA ASP A 44 24.725 1.553 -2.959 1.00 0.00 H new ATOM 0 HB2 ASP A 44 22.564 0.322 -4.645 1.00 0.00 H new ATOM 0 HB3 ASP A 44 22.802 2.054 -4.767 1.00 0.00 H new ATOM 663 N ASN A 45 21.502 1.742 -2.203 1.00 0.00 N ATOM 664 CA ASN A 45 20.513 2.549 -1.497 1.00 0.00 C ATOM 665 C ASN A 45 19.909 1.772 -0.331 1.00 0.00 C ATOM 666 O ASN A 45 19.149 0.824 -0.529 1.00 0.00 O ATOM 667 CB ASN A 45 19.406 2.992 -2.457 1.00 0.00 C ATOM 668 CG ASN A 45 18.660 1.817 -3.060 1.00 0.00 C ATOM 669 OD1 ASN A 45 19.269 0.886 -3.588 1.00 0.00 O ATOM 670 ND2 ASN A 45 17.335 1.856 -2.985 1.00 0.00 N ATOM 0 H ASN A 45 21.126 0.900 -2.639 1.00 0.00 H new ATOM 0 HA ASN A 45 21.016 3.431 -1.101 1.00 0.00 H new ATOM 0 HB2 ASN A 45 18.702 3.632 -1.925 1.00 0.00 H new ATOM 0 HB3 ASN A 45 19.841 3.592 -3.256 1.00 0.00 H new ATOM 0 HD21 ASN A 45 16.780 1.094 -3.374 1.00 0.00 H new ATOM 0 HD22 ASN A 45 16.873 2.648 -2.538 1.00 0.00 H new ATOM 677 N LYS A 46 20.252 2.182 0.886 1.00 0.00 N ATOM 678 CA LYS A 46 19.744 1.527 2.086 1.00 0.00 C ATOM 679 C LYS A 46 18.483 2.220 2.591 1.00 0.00 C ATOM 680 O LYS A 46 17.412 1.616 2.649 1.00 0.00 O ATOM 681 CB LYS A 46 20.812 1.525 3.182 1.00 0.00 C ATOM 682 CG LYS A 46 21.752 0.334 3.113 1.00 0.00 C ATOM 683 CD LYS A 46 22.884 0.573 2.128 1.00 0.00 C ATOM 684 CE LYS A 46 24.010 1.378 2.759 1.00 0.00 C ATOM 685 NZ LYS A 46 25.037 1.775 1.756 1.00 0.00 N ATOM 0 H LYS A 46 20.880 2.965 1.067 1.00 0.00 H new ATOM 0 HA LYS A 46 19.494 0.498 1.830 1.00 0.00 H new ATOM 0 HB2 LYS A 46 21.396 2.443 3.110 1.00 0.00 H new ATOM 0 HB3 LYS A 46 20.322 1.534 4.155 1.00 0.00 H new ATOM 0 HG2 LYS A 46 22.165 0.138 4.102 1.00 0.00 H new ATOM 0 HG3 LYS A 46 21.194 -0.555 2.818 1.00 0.00 H new ATOM 0 HD2 LYS A 46 23.271 -0.384 1.778 1.00 0.00 H new ATOM 0 HD3 LYS A 46 22.502 1.102 1.254 1.00 0.00 H new ATOM 0 HE2 LYS A 46 23.599 2.271 3.230 1.00 0.00 H new ATOM 0 HE3 LYS A 46 24.480 0.789 3.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 25.981 1.732 2.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 24.999 1.126 0.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 24.849 2.745 1.432 1.00 0.00 H new ATOM 699 N GLU A 47 18.617 3.492 2.954 1.00 0.00 N ATOM 700 CA GLU A 47 17.487 4.266 3.454 1.00 0.00 C ATOM 701 C GLU A 47 16.317 4.214 2.476 1.00 0.00 C ATOM 702 O GLU A 47 15.235 3.734 2.812 1.00 0.00 O ATOM 703 CB GLU A 47 17.902 5.720 3.692 1.00 0.00 C ATOM 704 CG GLU A 47 16.999 6.458 4.666 1.00 0.00 C ATOM 705 CD GLU A 47 17.233 6.046 6.106 1.00 0.00 C ATOM 706 OE1 GLU A 47 18.328 6.332 6.634 1.00 0.00 O ATOM 707 OE2 GLU A 47 16.322 5.437 6.705 1.00 0.00 O ATOM 0 H GLU A 47 19.496 4.008 2.911 1.00 0.00 H new ATOM 0 HA GLU A 47 17.168 3.827 4.399 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.924 5.740 4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.904 6.249 2.739 1.00 0.00 H new ATOM 0 HG2 GLU A 47 17.165 7.531 4.568 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.958 6.271 4.403 1.00 0.00 H new ATOM 714 N GLU A 48 16.543 4.713 1.264 1.00 0.00 N ATOM 715 CA GLU A 48 15.507 4.725 0.238 1.00 0.00 C ATOM 716 C GLU A 48 14.667 3.452 0.299 1.00 0.00 C ATOM 717 O GLU A 48 13.447 3.507 0.453 1.00 0.00 O ATOM 718 CB GLU A 48 16.134 4.869 -1.150 1.00 0.00 C ATOM 719 CG GLU A 48 15.124 4.807 -2.284 1.00 0.00 C ATOM 720 CD GLU A 48 15.560 5.606 -3.497 1.00 0.00 C ATOM 721 OE1 GLU A 48 15.680 6.844 -3.379 1.00 0.00 O ATOM 722 OE2 GLU A 48 15.779 4.995 -4.563 1.00 0.00 O ATOM 0 H GLU A 48 17.434 5.114 0.969 1.00 0.00 H new ATOM 0 HA GLU A 48 14.856 5.579 0.425 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.668 5.818 -1.202 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.873 4.080 -1.289 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.972 3.767 -2.574 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.164 5.183 -1.931 1.00 0.00 H new ATOM 729 N ALA A 49 15.330 2.306 0.175 1.00 0.00 N ATOM 730 CA ALA A 49 14.646 1.020 0.217 1.00 0.00 C ATOM 731 C ALA A 49 13.788 0.894 1.472 1.00 0.00 C ATOM 732 O ALA A 49 12.649 0.434 1.412 1.00 0.00 O ATOM 733 CB ALA A 49 15.655 -0.117 0.150 1.00 0.00 C ATOM 0 H ALA A 49 16.340 2.243 0.045 1.00 0.00 H new ATOM 0 HA ALA A 49 13.987 0.959 -0.649 1.00 0.00 H new ATOM 0 HB1 ALA A 49 15.130 -1.072 0.182 1.00 0.00 H new ATOM 0 HB2 ALA A 49 16.222 -0.046 -0.778 1.00 0.00 H new ATOM 0 HB3 ALA A 49 16.337 -0.049 0.998 1.00 0.00 H new ATOM 739 N GLU A 50 14.345 1.306 2.607 1.00 0.00 N ATOM 740 CA GLU A 50 13.630 1.237 3.876 1.00 0.00 C ATOM 741 C GLU A 50 12.212 1.783 3.733 1.00 0.00 C ATOM 742 O GLU A 50 11.235 1.085 4.005 1.00 0.00 O ATOM 743 CB GLU A 50 14.383 2.021 4.954 1.00 0.00 C ATOM 744 CG GLU A 50 14.104 1.535 6.366 1.00 0.00 C ATOM 745 CD GLU A 50 15.126 2.037 7.368 1.00 0.00 C ATOM 746 OE1 GLU A 50 15.455 3.240 7.329 1.00 0.00 O ATOM 747 OE2 GLU A 50 15.595 1.224 8.193 1.00 0.00 O ATOM 0 H GLU A 50 15.287 1.690 2.673 1.00 0.00 H new ATOM 0 HA GLU A 50 13.569 0.190 4.173 1.00 0.00 H new ATOM 0 HB2 GLU A 50 15.453 1.953 4.760 1.00 0.00 H new ATOM 0 HB3 GLU A 50 14.112 3.074 4.881 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.110 1.864 6.670 1.00 0.00 H new ATOM 0 HG3 GLU A 50 14.096 0.445 6.376 1.00 0.00 H new ATOM 754 N LYS A 51 12.108 3.036 3.303 1.00 0.00 N ATOM 755 CA LYS A 51 10.811 3.678 3.122 1.00 0.00 C ATOM 756 C LYS A 51 9.814 2.717 2.483 1.00 0.00 C ATOM 757 O LYS A 51 8.742 2.461 3.033 1.00 0.00 O ATOM 758 CB LYS A 51 10.956 4.930 2.255 1.00 0.00 C ATOM 759 CG LYS A 51 9.628 5.509 1.795 1.00 0.00 C ATOM 760 CD LYS A 51 8.794 5.991 2.970 1.00 0.00 C ATOM 761 CE LYS A 51 7.809 7.070 2.549 1.00 0.00 C ATOM 762 NZ LYS A 51 8.478 8.386 2.353 1.00 0.00 N ATOM 0 H LYS A 51 12.907 3.627 3.073 1.00 0.00 H new ATOM 0 HA LYS A 51 10.435 3.965 4.104 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.499 5.690 2.817 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.560 4.688 1.380 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.809 6.338 1.111 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.073 4.753 1.239 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.251 5.150 3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.451 6.380 3.748 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.317 6.771 1.623 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.031 7.167 3.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.759 9.122 2.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.038 8.620 3.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.105 8.337 1.524 1.00 0.00 H new ATOM 776 N LYS A 52 10.173 2.186 1.319 1.00 0.00 N ATOM 777 CA LYS A 52 9.311 1.250 0.606 1.00 0.00 C ATOM 778 C LYS A 52 8.841 0.131 1.530 1.00 0.00 C ATOM 779 O LYS A 52 7.671 -0.250 1.515 1.00 0.00 O ATOM 780 CB LYS A 52 10.050 0.658 -0.596 1.00 0.00 C ATOM 781 CG LYS A 52 10.525 1.702 -1.592 1.00 0.00 C ATOM 782 CD LYS A 52 9.475 1.975 -2.656 1.00 0.00 C ATOM 783 CE LYS A 52 9.808 3.222 -3.461 1.00 0.00 C ATOM 784 NZ LYS A 52 9.790 4.448 -2.616 1.00 0.00 N ATOM 0 H LYS A 52 11.055 2.388 0.849 1.00 0.00 H new ATOM 0 HA LYS A 52 8.437 1.797 0.253 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.910 0.090 -0.240 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.392 -0.046 -1.106 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.761 2.627 -1.066 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.445 1.362 -2.066 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.402 1.118 -3.325 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.500 2.095 -2.184 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.792 3.109 -3.916 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.091 3.331 -4.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.648 5.283 -3.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.014 4.383 -1.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.695 4.535 -2.111 1.00 0.00 H new ATOM 798 N PHE A 53 9.762 -0.392 2.333 1.00 0.00 N ATOM 799 CA PHE A 53 9.442 -1.468 3.264 1.00 0.00 C ATOM 800 C PHE A 53 8.273 -1.079 4.164 1.00 0.00 C ATOM 801 O PHE A 53 7.434 -1.912 4.507 1.00 0.00 O ATOM 802 CB PHE A 53 10.664 -1.814 4.117 1.00 0.00 C ATOM 803 CG PHE A 53 10.461 -3.015 4.996 1.00 0.00 C ATOM 804 CD1 PHE A 53 9.943 -2.875 6.274 1.00 0.00 C ATOM 805 CD2 PHE A 53 10.789 -4.283 4.546 1.00 0.00 C ATOM 806 CE1 PHE A 53 9.755 -3.977 7.085 1.00 0.00 C ATOM 807 CE2 PHE A 53 10.602 -5.390 5.353 1.00 0.00 C ATOM 808 CZ PHE A 53 10.086 -5.236 6.625 1.00 0.00 C ATOM 0 H PHE A 53 10.735 -0.088 2.358 1.00 0.00 H new ATOM 0 HA PHE A 53 9.154 -2.344 2.682 1.00 0.00 H new ATOM 0 HB2 PHE A 53 11.516 -1.994 3.461 1.00 0.00 H new ATOM 0 HB3 PHE A 53 10.917 -0.956 4.740 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.683 -1.893 6.640 1.00 0.00 H new ATOM 0 HD2 PHE A 53 11.196 -4.409 3.553 1.00 0.00 H new ATOM 0 HE1 PHE A 53 9.349 -3.854 8.078 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.859 -6.374 4.989 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.942 -6.099 7.258 1.00 0.00 H new ATOM 818 N LYS A 54 8.225 0.193 4.544 1.00 0.00 N ATOM 819 CA LYS A 54 7.161 0.696 5.404 1.00 0.00 C ATOM 820 C LYS A 54 5.847 0.804 4.637 1.00 0.00 C ATOM 821 O LYS A 54 4.773 0.556 5.187 1.00 0.00 O ATOM 822 CB LYS A 54 7.542 2.063 5.977 1.00 0.00 C ATOM 823 CG LYS A 54 6.477 2.664 6.878 1.00 0.00 C ATOM 824 CD LYS A 54 6.532 2.075 8.277 1.00 0.00 C ATOM 825 CE LYS A 54 5.606 0.875 8.413 1.00 0.00 C ATOM 826 NZ LYS A 54 4.246 1.272 8.871 1.00 0.00 N ATOM 0 H LYS A 54 8.912 0.895 4.269 1.00 0.00 H new ATOM 0 HA LYS A 54 7.027 -0.010 6.224 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.470 1.965 6.541 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.740 2.750 5.154 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.612 3.744 6.932 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.492 2.487 6.446 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.554 1.775 8.507 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.252 2.836 9.005 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.531 0.364 7.453 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.034 0.164 9.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.646 0.426 8.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.314 1.737 9.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.827 1.930 8.184 1.00 0.00 H new ATOM 840 N LEU A 55 5.939 1.174 3.365 1.00 0.00 N ATOM 841 CA LEU A 55 4.757 1.313 2.521 1.00 0.00 C ATOM 842 C LEU A 55 4.120 -0.046 2.247 1.00 0.00 C ATOM 843 O LEU A 55 2.915 -0.225 2.421 1.00 0.00 O ATOM 844 CB LEU A 55 5.126 1.991 1.200 1.00 0.00 C ATOM 845 CG LEU A 55 5.307 3.509 1.253 1.00 0.00 C ATOM 846 CD1 LEU A 55 6.077 3.997 0.036 1.00 0.00 C ATOM 847 CD2 LEU A 55 3.956 4.204 1.346 1.00 0.00 C ATOM 0 H LEU A 55 6.820 1.383 2.895 1.00 0.00 H new ATOM 0 HA LEU A 55 4.034 1.933 3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.051 1.547 0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.351 1.763 0.468 1.00 0.00 H new ATOM 0 HG LEU A 55 5.883 3.757 2.145 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.196 5.079 0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.059 3.524 0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.529 3.738 -0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.104 5.283 1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.355 3.950 0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.440 3.877 2.249 1.00 0.00 H new ATOM 859 N VAL A 56 4.939 -1.002 1.820 1.00 0.00 N ATOM 860 CA VAL A 56 4.458 -2.346 1.525 1.00 0.00 C ATOM 861 C VAL A 56 3.813 -2.980 2.753 1.00 0.00 C ATOM 862 O VAL A 56 2.791 -3.659 2.649 1.00 0.00 O ATOM 863 CB VAL A 56 5.598 -3.256 1.031 1.00 0.00 C ATOM 864 CG1 VAL A 56 6.645 -3.439 2.119 1.00 0.00 C ATOM 865 CG2 VAL A 56 5.049 -4.600 0.576 1.00 0.00 C ATOM 0 H VAL A 56 5.939 -0.870 1.671 1.00 0.00 H new ATOM 0 HA VAL A 56 3.713 -2.249 0.735 1.00 0.00 H new ATOM 0 HB VAL A 56 6.076 -2.777 0.177 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.442 -4.085 1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.060 -2.469 2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.184 -3.895 2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.869 -5.230 0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.543 -5.088 1.410 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.341 -4.447 -0.238 1.00 0.00 H new ATOM 875 N SER A 57 4.417 -2.754 3.915 1.00 0.00 N ATOM 876 CA SER A 57 3.903 -3.306 5.163 1.00 0.00 C ATOM 877 C SER A 57 2.569 -2.665 5.532 1.00 0.00 C ATOM 878 O SER A 57 1.618 -3.355 5.900 1.00 0.00 O ATOM 879 CB SER A 57 4.913 -3.095 6.293 1.00 0.00 C ATOM 880 OG SER A 57 6.211 -3.508 5.900 1.00 0.00 O ATOM 0 H SER A 57 5.262 -2.193 4.018 1.00 0.00 H new ATOM 0 HA SER A 57 3.746 -4.375 5.021 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.933 -2.042 6.576 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.601 -3.656 7.174 1.00 0.00 H new ATOM 0 HG SER A 57 6.757 -2.720 5.695 1.00 0.00 H new ATOM 886 N GLU A 58 2.507 -1.341 5.431 1.00 0.00 N ATOM 887 CA GLU A 58 1.290 -0.606 5.755 1.00 0.00 C ATOM 888 C GLU A 58 0.167 -0.959 4.784 1.00 0.00 C ATOM 889 O GLU A 58 -0.925 -1.347 5.196 1.00 0.00 O ATOM 890 CB GLU A 58 1.553 0.900 5.723 1.00 0.00 C ATOM 891 CG GLU A 58 0.409 1.730 6.279 1.00 0.00 C ATOM 892 CD GLU A 58 0.505 1.926 7.780 1.00 0.00 C ATOM 893 OE1 GLU A 58 0.257 0.952 8.521 1.00 0.00 O ATOM 894 OE2 GLU A 58 0.828 3.052 8.212 1.00 0.00 O ATOM 0 H GLU A 58 3.285 -0.756 5.127 1.00 0.00 H new ATOM 0 HA GLU A 58 0.981 -0.891 6.760 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.457 1.115 6.293 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.745 1.205 4.694 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.400 2.704 5.789 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.537 1.244 6.040 1.00 0.00 H new ATOM 901 N ALA A 59 0.446 -0.819 3.492 1.00 0.00 N ATOM 902 CA ALA A 59 -0.539 -1.123 2.461 1.00 0.00 C ATOM 903 C ALA A 59 -1.034 -2.561 2.582 1.00 0.00 C ATOM 904 O ALA A 59 -2.237 -2.820 2.529 1.00 0.00 O ATOM 905 CB ALA A 59 0.050 -0.881 1.080 1.00 0.00 C ATOM 0 H ALA A 59 1.345 -0.497 3.135 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.392 -0.459 2.601 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.697 -1.112 0.320 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.348 0.163 0.990 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.921 -1.521 0.939 1.00 0.00 H new ATOM 911 N TYR A 60 -0.100 -3.491 2.744 1.00 0.00 N ATOM 912 CA TYR A 60 -0.442 -4.903 2.869 1.00 0.00 C ATOM 913 C TYR A 60 -1.663 -5.091 3.765 1.00 0.00 C ATOM 914 O TYR A 60 -2.574 -5.851 3.439 1.00 0.00 O ATOM 915 CB TYR A 60 0.744 -5.688 3.433 1.00 0.00 C ATOM 916 CG TYR A 60 0.360 -7.029 4.016 1.00 0.00 C ATOM 917 CD1 TYR A 60 -0.511 -7.878 3.343 1.00 0.00 C ATOM 918 CD2 TYR A 60 0.866 -7.448 5.240 1.00 0.00 C ATOM 919 CE1 TYR A 60 -0.865 -9.104 3.872 1.00 0.00 C ATOM 920 CE2 TYR A 60 0.518 -8.672 5.776 1.00 0.00 C ATOM 921 CZ TYR A 60 -0.347 -9.497 5.089 1.00 0.00 C ATOM 922 OH TYR A 60 -0.697 -10.717 5.620 1.00 0.00 O ATOM 0 H TYR A 60 0.899 -3.293 2.792 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.681 -5.282 1.876 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.477 -5.842 2.641 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.230 -5.091 4.205 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.918 -7.574 2.390 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.544 -6.805 5.782 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.543 -9.751 3.336 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.921 -8.982 6.729 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.245 -10.841 6.481 1.00 0.00 H new ATOM 932 N GLU A 61 -1.672 -4.392 4.896 1.00 0.00 N ATOM 933 CA GLU A 61 -2.780 -4.481 5.839 1.00 0.00 C ATOM 934 C GLU A 61 -3.995 -3.714 5.326 1.00 0.00 C ATOM 935 O GLU A 61 -5.112 -4.232 5.316 1.00 0.00 O ATOM 936 CB GLU A 61 -2.360 -3.938 7.206 1.00 0.00 C ATOM 937 CG GLU A 61 -1.352 -4.816 7.927 1.00 0.00 C ATOM 938 CD GLU A 61 -1.158 -4.414 9.376 1.00 0.00 C ATOM 939 OE1 GLU A 61 -1.226 -3.203 9.671 1.00 0.00 O ATOM 940 OE2 GLU A 61 -0.939 -5.312 10.216 1.00 0.00 O ATOM 0 H GLU A 61 -0.925 -3.759 5.181 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.052 -5.531 5.941 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.935 -2.943 7.077 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.246 -3.828 7.831 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.683 -5.854 7.883 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.395 -4.764 7.408 1.00 0.00 H new ATOM 947 N VAL A 62 -3.769 -2.475 4.900 1.00 0.00 N ATOM 948 CA VAL A 62 -4.844 -1.635 4.385 1.00 0.00 C ATOM 949 C VAL A 62 -5.778 -2.431 3.481 1.00 0.00 C ATOM 950 O VAL A 62 -6.998 -2.272 3.535 1.00 0.00 O ATOM 951 CB VAL A 62 -4.289 -0.432 3.600 1.00 0.00 C ATOM 952 CG1 VAL A 62 -5.413 0.310 2.894 1.00 0.00 C ATOM 953 CG2 VAL A 62 -3.522 0.500 4.525 1.00 0.00 C ATOM 0 H VAL A 62 -2.851 -2.031 4.901 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.402 -1.270 5.248 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.599 -0.803 2.842 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.001 1.157 2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.914 -0.364 2.199 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.131 0.670 3.631 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.137 1.344 3.953 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.187 0.865 5.307 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.691 -0.040 4.978 1.00 0.00 H new ATOM 963 N LEU A 63 -5.197 -3.290 2.649 1.00 0.00 N ATOM 964 CA LEU A 63 -5.978 -4.113 1.732 1.00 0.00 C ATOM 965 C LEU A 63 -6.386 -5.426 2.392 1.00 0.00 C ATOM 966 O LEU A 63 -7.546 -5.834 2.320 1.00 0.00 O ATOM 967 CB LEU A 63 -5.175 -4.396 0.461 1.00 0.00 C ATOM 968 CG LEU A 63 -4.648 -3.171 -0.287 1.00 0.00 C ATOM 969 CD1 LEU A 63 -3.540 -3.568 -1.249 1.00 0.00 C ATOM 970 CD2 LEU A 63 -5.778 -2.473 -1.030 1.00 0.00 C ATOM 0 H LEU A 63 -4.189 -3.434 2.591 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.882 -3.564 1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.327 -5.028 0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.802 -4.971 -0.220 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.235 -2.474 0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.178 -2.683 -1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.720 -4.022 -0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.927 -4.285 -1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.385 -1.603 -1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.221 -3.162 -1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.538 -2.152 -0.318 1.00 0.00 H new ATOM 982 N SER A 64 -5.427 -6.082 3.036 1.00 0.00 N ATOM 983 CA SER A 64 -5.686 -7.350 3.708 1.00 0.00 C ATOM 984 C SER A 64 -6.960 -7.271 4.545 1.00 0.00 C ATOM 985 O SER A 64 -7.815 -8.154 4.479 1.00 0.00 O ATOM 986 CB SER A 64 -4.501 -7.732 4.598 1.00 0.00 C ATOM 987 OG SER A 64 -4.668 -9.031 5.139 1.00 0.00 O ATOM 0 H SER A 64 -4.463 -5.757 3.107 1.00 0.00 H new ATOM 0 HA SER A 64 -5.820 -8.116 2.945 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.579 -7.692 4.018 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.401 -7.008 5.407 1.00 0.00 H new ATOM 0 HG SER A 64 -3.897 -9.252 5.702 1.00 0.00 H new ATOM 993 N ASP A 65 -7.078 -6.207 5.331 1.00 0.00 N ATOM 994 CA ASP A 65 -8.247 -6.010 6.181 1.00 0.00 C ATOM 995 C ASP A 65 -9.499 -5.784 5.339 1.00 0.00 C ATOM 996 O ASP A 65 -9.414 -5.401 4.172 1.00 0.00 O ATOM 997 CB ASP A 65 -8.028 -4.823 7.120 1.00 0.00 C ATOM 998 CG ASP A 65 -7.026 -5.129 8.216 1.00 0.00 C ATOM 999 OD1 ASP A 65 -5.893 -5.540 7.887 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -7.375 -4.957 9.402 1.00 0.00 O ATOM 0 H ASP A 65 -6.379 -5.467 5.398 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.389 -6.912 6.776 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.680 -3.966 6.543 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.979 -4.539 7.570 1.00 0.00 H new ATOM 1005 N SER A 66 -10.660 -6.025 5.938 1.00 0.00 N ATOM 1006 CA SER A 66 -11.930 -5.853 5.242 1.00 0.00 C ATOM 1007 C SER A 66 -12.444 -4.424 5.395 1.00 0.00 C ATOM 1008 O SER A 66 -12.982 -3.841 4.454 1.00 0.00 O ATOM 1009 CB SER A 66 -12.968 -6.840 5.778 1.00 0.00 C ATOM 1010 OG SER A 66 -12.813 -8.117 5.183 1.00 0.00 O ATOM 0 H SER A 66 -10.748 -6.340 6.904 1.00 0.00 H new ATOM 0 HA SER A 66 -11.765 -6.050 4.183 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.869 -6.925 6.860 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.971 -6.462 5.579 1.00 0.00 H new ATOM 0 HG SER A 66 -13.487 -8.730 5.544 1.00 0.00 H new ATOM 1016 N LYS A 67 -12.274 -3.866 6.589 1.00 0.00 N ATOM 1017 CA LYS A 67 -12.719 -2.506 6.868 1.00 0.00 C ATOM 1018 C LYS A 67 -11.803 -1.486 6.198 1.00 0.00 C ATOM 1019 O LYS A 67 -12.269 -0.551 5.547 1.00 0.00 O ATOM 1020 CB LYS A 67 -12.756 -2.259 8.378 1.00 0.00 C ATOM 1021 CG LYS A 67 -11.414 -2.459 9.060 1.00 0.00 C ATOM 1022 CD LYS A 67 -11.561 -2.530 10.571 1.00 0.00 C ATOM 1023 CE LYS A 67 -11.765 -1.150 11.176 1.00 0.00 C ATOM 1024 NZ LYS A 67 -10.492 -0.381 11.248 1.00 0.00 N ATOM 0 H LYS A 67 -11.831 -4.335 7.379 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.724 -2.389 6.462 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.100 -1.241 8.563 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.487 -2.930 8.830 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.953 -3.377 8.695 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.745 -1.639 8.797 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.407 -3.169 10.826 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.672 -2.990 11.003 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.490 -0.596 10.580 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.185 -1.251 12.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.657 0.519 11.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.781 -0.935 11.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.148 -0.189 10.286 1.00 0.00 H new ATOM 1038 N LYS A 68 -10.498 -1.673 6.361 1.00 0.00 N ATOM 1039 CA LYS A 68 -9.516 -0.771 5.770 1.00 0.00 C ATOM 1040 C LYS A 68 -9.631 -0.762 4.249 1.00 0.00 C ATOM 1041 O LYS A 68 -9.689 0.299 3.628 1.00 0.00 O ATOM 1042 CB LYS A 68 -8.101 -1.185 6.182 1.00 0.00 C ATOM 1043 CG LYS A 68 -7.909 -1.281 7.685 1.00 0.00 C ATOM 1044 CD LYS A 68 -6.455 -1.077 8.076 1.00 0.00 C ATOM 1045 CE LYS A 68 -6.080 0.397 8.077 1.00 0.00 C ATOM 1046 NZ LYS A 68 -4.604 0.594 8.032 1.00 0.00 N ATOM 0 H LYS A 68 -10.095 -2.441 6.898 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.716 0.235 6.138 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.868 -2.150 5.732 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.389 -0.465 5.778 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.528 -0.533 8.180 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.247 -2.257 8.034 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.281 -1.499 9.066 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.811 -1.617 7.382 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.538 0.889 7.219 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.483 0.874 8.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.393 1.592 7.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.191 0.331 8.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.197 -0.004 7.285 1.00 0.00 H new ATOM 1060 N ARG A 69 -9.666 -1.951 3.656 1.00 0.00 N ATOM 1061 CA ARG A 69 -9.776 -2.079 2.207 1.00 0.00 C ATOM 1062 C ARG A 69 -11.071 -1.451 1.702 1.00 0.00 C ATOM 1063 O ARG A 69 -11.050 -0.545 0.869 1.00 0.00 O ATOM 1064 CB ARG A 69 -9.718 -3.552 1.798 1.00 0.00 C ATOM 1065 CG ARG A 69 -9.964 -3.783 0.316 1.00 0.00 C ATOM 1066 CD ARG A 69 -9.289 -5.056 -0.169 1.00 0.00 C ATOM 1067 NE ARG A 69 -9.846 -5.522 -1.436 1.00 0.00 N ATOM 1068 CZ ARG A 69 -10.928 -6.287 -1.526 1.00 0.00 C ATOM 1069 NH1 ARG A 69 -11.567 -6.670 -0.429 1.00 0.00 N ATOM 1070 NH2 ARG A 69 -11.374 -6.671 -2.715 1.00 0.00 N ATOM 0 H ARG A 69 -9.620 -2.839 4.156 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.936 -1.550 1.756 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -8.741 -3.955 2.063 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -10.459 -4.109 2.372 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -11.036 -3.845 0.129 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -9.590 -2.932 -0.253 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.220 -4.877 -0.287 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.401 -5.835 0.585 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.378 -5.245 -2.299 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -11.228 -6.377 0.487 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -12.398 -7.257 -0.501 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -10.886 -6.379 -3.562 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.205 -7.259 -2.783 1.00 0.00 H new ATOM 1084 N SER A 70 -12.198 -1.938 2.212 1.00 0.00 N ATOM 1085 CA SER A 70 -13.503 -1.428 1.810 1.00 0.00 C ATOM 1086 C SER A 70 -13.542 0.095 1.900 1.00 0.00 C ATOM 1087 O SER A 70 -13.901 0.777 0.939 1.00 0.00 O ATOM 1088 CB SER A 70 -14.602 -2.031 2.686 1.00 0.00 C ATOM 1089 OG SER A 70 -15.888 -1.654 2.223 1.00 0.00 O ATOM 0 H SER A 70 -12.233 -2.686 2.905 1.00 0.00 H new ATOM 0 HA SER A 70 -13.676 -1.718 0.773 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.516 -3.118 2.686 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.472 -1.701 3.717 1.00 0.00 H new ATOM 0 HG SER A 70 -16.573 -2.053 2.799 1.00 0.00 H new ATOM 1095 N LEU A 71 -13.171 0.621 3.062 1.00 0.00 N ATOM 1096 CA LEU A 71 -13.163 2.064 3.280 1.00 0.00 C ATOM 1097 C LEU A 71 -12.401 2.779 2.169 1.00 0.00 C ATOM 1098 O LEU A 71 -12.929 3.686 1.525 1.00 0.00 O ATOM 1099 CB LEU A 71 -12.535 2.391 4.637 1.00 0.00 C ATOM 1100 CG LEU A 71 -13.495 2.440 5.826 1.00 0.00 C ATOM 1101 CD1 LEU A 71 -12.722 2.561 7.130 1.00 0.00 C ATOM 1102 CD2 LEU A 71 -14.474 3.595 5.675 1.00 0.00 C ATOM 0 H LEU A 71 -12.872 0.071 3.867 1.00 0.00 H new ATOM 0 HA LEU A 71 -14.195 2.414 3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.765 1.648 4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.034 3.356 4.560 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.063 1.510 5.848 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.421 2.595 7.966 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.062 1.701 7.243 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.128 3.475 7.117 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -15.149 3.614 6.530 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.924 4.535 5.626 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -15.052 3.465 4.760 1.00 0.00 H new