USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=12 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= -2.26! C(o=-2.3!,f=-13!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0.0374 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 20 SER OG : rot 180:sc= 0.00273 USER MOD Single : A 22 SER OG : rot -91:sc= -0.523 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= -3.83! C(o=-3.8!,f=-5.8!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 2.26 K(o=2.3,f=-0.47) USER MOD Single : A 45 ASN : amide:sc= -0.852 K(o=-0.85,f=-4.5!) USER MOD Single : A 46 LYS NZ :NH3+ -158:sc= 1.2 (180deg=1.02) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.016) USER MOD Single : A 57 SER OG : rot -55:sc= 1.06 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N ASN A 10 -0.481 4.486 -4.828 1.00 0.00 N ATOM 94 CA ASN A 10 -1.695 3.727 -4.550 1.00 0.00 C ATOM 95 C ASN A 10 -1.359 2.358 -3.967 1.00 0.00 C ATOM 96 O ASN A 10 -0.615 1.582 -4.567 1.00 0.00 O ATOM 97 CB ASN A 10 -2.520 3.561 -5.828 1.00 0.00 C ATOM 98 CG ASN A 10 -3.533 2.438 -5.720 1.00 0.00 C ATOM 99 OD1 ASN A 10 -3.769 1.902 -4.637 1.00 0.00 O ATOM 100 ND2 ASN A 10 -4.136 2.075 -6.846 1.00 0.00 N ATOM 0 HA ASN A 10 -2.281 4.281 -3.816 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -3.038 4.495 -6.046 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.851 3.364 -6.666 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.826 1.324 -6.836 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.909 2.547 -7.721 1.00 0.00 H new ATOM 107 N TYR A 11 -1.912 2.069 -2.795 1.00 0.00 N ATOM 108 CA TYR A 11 -1.671 0.795 -2.129 1.00 0.00 C ATOM 109 C TYR A 11 -1.550 -0.336 -3.145 1.00 0.00 C ATOM 110 O TYR A 11 -0.545 -1.047 -3.184 1.00 0.00 O ATOM 111 CB TYR A 11 -2.798 0.490 -1.141 1.00 0.00 C ATOM 112 CG TYR A 11 -3.066 1.612 -0.163 1.00 0.00 C ATOM 113 CD1 TYR A 11 -2.030 2.400 0.322 1.00 0.00 C ATOM 114 CD2 TYR A 11 -4.356 1.884 0.275 1.00 0.00 C ATOM 115 CE1 TYR A 11 -2.270 3.425 1.216 1.00 0.00 C ATOM 116 CE2 TYR A 11 -4.606 2.909 1.168 1.00 0.00 C ATOM 117 CZ TYR A 11 -3.560 3.676 1.636 1.00 0.00 C ATOM 118 OH TYR A 11 -3.804 4.698 2.525 1.00 0.00 O ATOM 0 H TYR A 11 -2.531 2.700 -2.286 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.730 0.872 -1.584 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -3.711 0.279 -1.698 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -2.548 -0.413 -0.585 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.019 2.208 -0.006 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -5.177 1.284 -0.088 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.452 4.027 1.584 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -5.615 3.108 1.497 1.00 0.00 H new ATOM 0 HH TYR A 11 -4.764 4.742 2.717 1.00 0.00 H new ATOM 128 N TYR A 12 -2.582 -0.497 -3.966 1.00 0.00 N ATOM 129 CA TYR A 12 -2.594 -1.543 -4.982 1.00 0.00 C ATOM 130 C TYR A 12 -1.357 -1.454 -5.870 1.00 0.00 C ATOM 131 O TYR A 12 -0.789 -2.472 -6.265 1.00 0.00 O ATOM 132 CB TYR A 12 -3.858 -1.437 -5.837 1.00 0.00 C ATOM 133 CG TYR A 12 -5.115 -1.867 -5.115 1.00 0.00 C ATOM 134 CD1 TYR A 12 -5.464 -3.209 -5.024 1.00 0.00 C ATOM 135 CD2 TYR A 12 -5.955 -0.930 -4.525 1.00 0.00 C ATOM 136 CE1 TYR A 12 -6.612 -3.605 -4.366 1.00 0.00 C ATOM 137 CE2 TYR A 12 -7.104 -1.318 -3.864 1.00 0.00 C ATOM 138 CZ TYR A 12 -7.429 -2.657 -3.788 1.00 0.00 C ATOM 139 OH TYR A 12 -8.573 -3.047 -3.131 1.00 0.00 O ATOM 0 H TYR A 12 -3.421 0.083 -3.948 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.586 -2.508 -4.475 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -3.975 -0.406 -6.171 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.735 -2.049 -6.730 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.827 -3.955 -5.475 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -5.705 0.119 -4.584 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.868 -4.652 -4.305 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -7.745 -0.577 -3.409 1.00 0.00 H new ATOM 0 HH TYR A 12 -9.035 -2.257 -2.781 1.00 0.00 H new ATOM 149 N GLU A 13 -0.944 -0.229 -6.178 1.00 0.00 N ATOM 150 CA GLU A 13 0.226 -0.006 -7.020 1.00 0.00 C ATOM 151 C GLU A 13 1.505 -0.406 -6.289 1.00 0.00 C ATOM 152 O GLU A 13 2.311 -1.181 -6.804 1.00 0.00 O ATOM 153 CB GLU A 13 0.305 1.462 -7.444 1.00 0.00 C ATOM 154 CG GLU A 13 -0.627 1.815 -8.591 1.00 0.00 C ATOM 155 CD GLU A 13 -0.126 2.989 -9.409 1.00 0.00 C ATOM 156 OE1 GLU A 13 1.099 3.073 -9.637 1.00 0.00 O ATOM 157 OE2 GLU A 13 -0.959 3.824 -9.821 1.00 0.00 O ATOM 0 H GLU A 13 -1.402 0.624 -5.857 1.00 0.00 H new ATOM 0 HA GLU A 13 0.126 -0.628 -7.910 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.068 2.092 -6.587 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.330 1.693 -7.735 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.743 0.947 -9.241 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.614 2.049 -8.193 1.00 0.00 H new ATOM 164 N VAL A 14 1.684 0.130 -5.086 1.00 0.00 N ATOM 165 CA VAL A 14 2.864 -0.170 -4.284 1.00 0.00 C ATOM 166 C VAL A 14 3.137 -1.669 -4.247 1.00 0.00 C ATOM 167 O VAL A 14 4.275 -2.109 -4.420 1.00 0.00 O ATOM 168 CB VAL A 14 2.709 0.348 -2.842 1.00 0.00 C ATOM 169 CG1 VAL A 14 3.918 -0.036 -2.003 1.00 0.00 C ATOM 170 CG2 VAL A 14 2.503 1.855 -2.837 1.00 0.00 C ATOM 0 H VAL A 14 1.027 0.774 -4.645 1.00 0.00 H new ATOM 0 HA VAL A 14 3.705 0.338 -4.756 1.00 0.00 H new ATOM 0 HB VAL A 14 1.828 -0.118 -2.400 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.790 0.339 -0.987 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.015 -1.121 -1.980 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.817 0.399 -2.440 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.395 2.204 -1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.363 2.341 -3.297 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.603 2.101 -3.400 1.00 0.00 H new ATOM 180 N LEU A 15 2.087 -2.451 -4.021 1.00 0.00 N ATOM 181 CA LEU A 15 2.212 -3.903 -3.962 1.00 0.00 C ATOM 182 C LEU A 15 2.279 -4.501 -5.364 1.00 0.00 C ATOM 183 O LEU A 15 3.072 -5.404 -5.628 1.00 0.00 O ATOM 184 CB LEU A 15 1.035 -4.505 -3.193 1.00 0.00 C ATOM 185 CG LEU A 15 1.084 -4.364 -1.672 1.00 0.00 C ATOM 186 CD1 LEU A 15 -0.309 -4.503 -1.077 1.00 0.00 C ATOM 187 CD2 LEU A 15 2.028 -5.395 -1.071 1.00 0.00 C ATOM 0 H LEU A 15 1.139 -2.104 -3.876 1.00 0.00 H new ATOM 0 HA LEU A 15 3.139 -4.143 -3.441 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.117 -4.040 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.972 -5.565 -3.438 1.00 0.00 H new ATOM 0 HG LEU A 15 1.462 -3.370 -1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.254 -4.400 0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.957 -3.726 -1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.716 -5.483 -1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.050 -5.280 0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.680 -6.397 -1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.031 -5.248 -1.472 1.00 0.00 H new ATOM 199 N GLY A 16 1.441 -3.989 -6.261 1.00 0.00 N ATOM 200 CA GLY A 16 1.422 -4.484 -7.625 1.00 0.00 C ATOM 201 C GLY A 16 0.354 -5.537 -7.845 1.00 0.00 C ATOM 202 O GLY A 16 0.612 -6.576 -8.453 1.00 0.00 O ATOM 0 H GLY A 16 0.775 -3.241 -6.067 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.253 -3.651 -8.308 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.398 -4.904 -7.869 1.00 0.00 H new ATOM 206 N VAL A 17 -0.850 -5.270 -7.349 1.00 0.00 N ATOM 207 CA VAL A 17 -1.961 -6.202 -7.494 1.00 0.00 C ATOM 208 C VAL A 17 -3.228 -5.482 -7.943 1.00 0.00 C ATOM 209 O VAL A 17 -3.267 -4.254 -8.002 1.00 0.00 O ATOM 210 CB VAL A 17 -2.246 -6.945 -6.175 1.00 0.00 C ATOM 211 CG1 VAL A 17 -1.039 -7.771 -5.756 1.00 0.00 C ATOM 212 CG2 VAL A 17 -2.635 -5.961 -5.083 1.00 0.00 C ATOM 0 H VAL A 17 -1.081 -4.415 -6.843 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.669 -6.926 -8.255 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.083 -7.625 -6.334 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.259 -8.289 -4.822 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.812 -8.502 -6.532 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.181 -7.115 -5.613 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.833 -6.503 -4.158 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.820 -5.255 -4.922 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.531 -5.419 -5.384 1.00 0.00 H new ATOM 222 N GLN A 18 -4.261 -6.256 -8.258 1.00 0.00 N ATOM 223 CA GLN A 18 -5.530 -5.692 -8.703 1.00 0.00 C ATOM 224 C GLN A 18 -6.561 -5.720 -7.579 1.00 0.00 C ATOM 225 O GLN A 18 -6.400 -6.438 -6.593 1.00 0.00 O ATOM 226 CB GLN A 18 -6.058 -6.461 -9.915 1.00 0.00 C ATOM 227 CG GLN A 18 -5.314 -6.150 -11.204 1.00 0.00 C ATOM 228 CD GLN A 18 -5.940 -6.815 -12.414 1.00 0.00 C ATOM 229 OE1 GLN A 18 -6.447 -7.934 -12.328 1.00 0.00 O ATOM 230 NE2 GLN A 18 -5.907 -6.129 -13.550 1.00 0.00 N ATOM 0 H GLN A 18 -4.244 -7.275 -8.213 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.358 -4.654 -8.988 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.989 -7.530 -9.715 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -7.114 -6.229 -10.050 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.295 -5.071 -11.357 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.279 -6.477 -11.109 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.476 -5.205 -13.575 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.312 -6.526 -14.398 1.00 0.00 H new ATOM 239 N ALA A 19 -7.621 -4.933 -7.736 1.00 0.00 N ATOM 240 CA ALA A 19 -8.679 -4.869 -6.736 1.00 0.00 C ATOM 241 C ALA A 19 -9.397 -6.209 -6.609 1.00 0.00 C ATOM 242 O ALA A 19 -9.748 -6.634 -5.509 1.00 0.00 O ATOM 243 CB ALA A 19 -9.670 -3.769 -7.085 1.00 0.00 C ATOM 0 H ALA A 19 -7.769 -4.331 -8.546 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.221 -4.639 -5.774 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.455 -3.733 -6.329 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.153 -2.810 -7.117 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.114 -3.975 -8.059 1.00 0.00 H new ATOM 249 N SER A 20 -9.612 -6.869 -7.743 1.00 0.00 N ATOM 250 CA SER A 20 -10.292 -8.159 -7.759 1.00 0.00 C ATOM 251 C SER A 20 -9.315 -9.292 -7.459 1.00 0.00 C ATOM 252 O SER A 20 -9.594 -10.457 -7.739 1.00 0.00 O ATOM 253 CB SER A 20 -10.959 -8.391 -9.116 1.00 0.00 C ATOM 254 OG SER A 20 -10.032 -8.224 -10.175 1.00 0.00 O ATOM 0 H SER A 20 -9.325 -6.532 -8.662 1.00 0.00 H new ATOM 0 HA SER A 20 -11.058 -8.148 -6.983 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.379 -9.396 -9.151 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.788 -7.695 -9.241 1.00 0.00 H new ATOM 0 HG SER A 20 -10.482 -8.379 -11.031 1.00 0.00 H new ATOM 260 N ALA A 21 -8.167 -8.940 -6.889 1.00 0.00 N ATOM 261 CA ALA A 21 -7.149 -9.926 -6.549 1.00 0.00 C ATOM 262 C ALA A 21 -7.572 -10.759 -5.344 1.00 0.00 C ATOM 263 O ALA A 21 -8.419 -10.342 -4.555 1.00 0.00 O ATOM 264 CB ALA A 21 -5.819 -9.239 -6.278 1.00 0.00 C ATOM 0 H ALA A 21 -7.919 -7.979 -6.653 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.032 -10.598 -7.399 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.068 -9.987 -6.025 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.503 -8.694 -7.167 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.932 -8.543 -5.447 1.00 0.00 H new ATOM 270 N SER A 22 -6.976 -11.940 -5.208 1.00 0.00 N ATOM 271 CA SER A 22 -7.295 -12.834 -4.101 1.00 0.00 C ATOM 272 C SER A 22 -6.632 -12.359 -2.812 1.00 0.00 C ATOM 273 O SER A 22 -5.618 -11.661 -2.825 1.00 0.00 O ATOM 274 CB SER A 22 -6.845 -14.260 -4.424 1.00 0.00 C ATOM 275 OG SER A 22 -5.497 -14.283 -4.860 1.00 0.00 O ATOM 0 H SER A 22 -6.270 -12.299 -5.850 1.00 0.00 H new ATOM 0 HA SER A 22 -8.376 -12.825 -3.958 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.955 -14.888 -3.540 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.488 -14.681 -5.197 1.00 0.00 H new ATOM 0 HG SER A 22 -5.467 -14.197 -5.836 1.00 0.00 H new ATOM 281 N PRO A 23 -7.218 -12.747 -1.669 1.00 0.00 N ATOM 282 CA PRO A 23 -6.702 -12.373 -0.349 1.00 0.00 C ATOM 283 C PRO A 23 -5.385 -13.068 -0.023 1.00 0.00 C ATOM 284 O PRO A 23 -4.679 -12.676 0.905 1.00 0.00 O ATOM 285 CB PRO A 23 -7.803 -12.840 0.607 1.00 0.00 C ATOM 286 CG PRO A 23 -8.494 -13.941 -0.120 1.00 0.00 C ATOM 287 CD PRO A 23 -8.429 -13.580 -1.578 1.00 0.00 C ATOM 0 HA PRO A 23 -6.485 -11.307 -0.284 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.385 -13.190 1.551 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.492 -12.029 0.844 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -8.007 -14.898 0.067 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -9.528 -14.039 0.212 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -8.356 -14.466 -2.209 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.317 -13.034 -1.897 1.00 0.00 H new ATOM 295 N GLU A 24 -5.060 -14.102 -0.794 1.00 0.00 N ATOM 296 CA GLU A 24 -3.826 -14.851 -0.585 1.00 0.00 C ATOM 297 C GLU A 24 -2.714 -14.330 -1.492 1.00 0.00 C ATOM 298 O GLU A 24 -1.534 -14.403 -1.148 1.00 0.00 O ATOM 299 CB GLU A 24 -4.057 -16.341 -0.848 1.00 0.00 C ATOM 300 CG GLU A 24 -4.612 -16.636 -2.231 1.00 0.00 C ATOM 301 CD GLU A 24 -6.128 -16.665 -2.258 1.00 0.00 C ATOM 302 OE1 GLU A 24 -6.749 -16.087 -1.341 1.00 0.00 O ATOM 303 OE2 GLU A 24 -6.693 -17.266 -3.196 1.00 0.00 O ATOM 0 H GLU A 24 -5.633 -14.439 -1.567 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.520 -14.716 0.452 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.114 -16.874 -0.723 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.746 -16.731 -0.099 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.254 -15.880 -2.931 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.228 -17.596 -2.575 1.00 0.00 H new ATOM 310 N ASP A 25 -3.100 -13.806 -2.650 1.00 0.00 N ATOM 311 CA ASP A 25 -2.136 -13.273 -3.606 1.00 0.00 C ATOM 312 C ASP A 25 -1.425 -12.049 -3.036 1.00 0.00 C ATOM 313 O ASP A 25 -0.211 -11.902 -3.180 1.00 0.00 O ATOM 314 CB ASP A 25 -2.835 -12.907 -4.916 1.00 0.00 C ATOM 315 CG ASP A 25 -2.910 -14.076 -5.879 1.00 0.00 C ATOM 316 OD1 ASP A 25 -2.067 -14.991 -5.767 1.00 0.00 O ATOM 317 OD2 ASP A 25 -3.811 -14.076 -6.744 1.00 0.00 O ATOM 0 H ASP A 25 -4.073 -13.739 -2.949 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.392 -14.045 -3.803 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.843 -12.553 -4.700 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.303 -12.083 -5.391 1.00 0.00 H new ATOM 322 N ILE A 26 -2.189 -11.175 -2.389 1.00 0.00 N ATOM 323 CA ILE A 26 -1.631 -9.966 -1.798 1.00 0.00 C ATOM 324 C ILE A 26 -0.607 -10.302 -0.719 1.00 0.00 C ATOM 325 O ILE A 26 0.465 -9.700 -0.655 1.00 0.00 O ATOM 326 CB ILE A 26 -2.732 -9.080 -1.185 1.00 0.00 C ATOM 327 CG1 ILE A 26 -3.754 -8.685 -2.254 1.00 0.00 C ATOM 328 CG2 ILE A 26 -2.121 -7.841 -0.546 1.00 0.00 C ATOM 329 CD1 ILE A 26 -5.099 -8.289 -1.688 1.00 0.00 C ATOM 0 H ILE A 26 -3.195 -11.282 -2.261 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.140 -9.419 -2.603 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.246 -9.649 -0.410 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.355 -7.854 -2.837 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.890 -9.520 -2.941 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.912 -7.225 -0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.428 -8.141 0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.585 -7.268 -1.303 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.772 -8.022 -2.503 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.519 -9.125 -1.129 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.977 -7.434 -1.023 1.00 0.00 H new ATOM 341 N LYS A 27 -0.943 -11.270 0.126 1.00 0.00 N ATOM 342 CA LYS A 27 -0.052 -11.691 1.201 1.00 0.00 C ATOM 343 C LYS A 27 1.272 -12.202 0.642 1.00 0.00 C ATOM 344 O LYS A 27 2.337 -11.668 0.955 1.00 0.00 O ATOM 345 CB LYS A 27 -0.717 -12.782 2.044 1.00 0.00 C ATOM 346 CG LYS A 27 0.096 -13.191 3.260 1.00 0.00 C ATOM 347 CD LYS A 27 -0.659 -14.184 4.128 1.00 0.00 C ATOM 348 CE LYS A 27 -0.683 -15.568 3.498 1.00 0.00 C ATOM 349 NZ LYS A 27 0.571 -16.324 3.771 1.00 0.00 N ATOM 0 H LYS A 27 -1.826 -11.778 0.087 1.00 0.00 H new ATOM 0 HA LYS A 27 0.150 -10.825 1.832 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.695 -12.430 2.373 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.887 -13.659 1.419 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.039 -13.632 2.937 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.343 -12.307 3.848 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.192 -14.239 5.111 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.680 -13.834 4.279 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.535 -16.128 3.883 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.823 -15.474 2.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.515 -17.262 3.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.382 -15.803 3.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.692 -16.436 4.798 1.00 0.00 H new ATOM 363 N LYS A 28 1.199 -13.237 -0.188 1.00 0.00 N ATOM 364 CA LYS A 28 2.391 -13.818 -0.793 1.00 0.00 C ATOM 365 C LYS A 28 3.288 -12.732 -1.379 1.00 0.00 C ATOM 366 O LYS A 28 4.480 -12.671 -1.080 1.00 0.00 O ATOM 367 CB LYS A 28 1.998 -14.814 -1.887 1.00 0.00 C ATOM 368 CG LYS A 28 1.616 -16.184 -1.353 1.00 0.00 C ATOM 369 CD LYS A 28 1.651 -17.239 -2.446 1.00 0.00 C ATOM 370 CE LYS A 28 0.673 -18.368 -2.162 1.00 0.00 C ATOM 371 NZ LYS A 28 1.169 -19.274 -1.089 1.00 0.00 N ATOM 0 H LYS A 28 0.326 -13.691 -0.457 1.00 0.00 H new ATOM 0 HA LYS A 28 2.945 -14.342 -0.014 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.160 -14.407 -2.453 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.830 -14.923 -2.583 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.299 -16.466 -0.552 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.617 -16.141 -0.920 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.410 -16.780 -3.404 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.660 -17.643 -2.531 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.290 -17.949 -1.868 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.506 -18.942 -3.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.474 -20.030 -0.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.075 -19.693 -1.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.304 -18.732 -0.212 1.00 0.00 H new ATOM 385 N ALA A 29 2.707 -11.877 -2.214 1.00 0.00 N ATOM 386 CA ALA A 29 3.454 -10.792 -2.837 1.00 0.00 C ATOM 387 C ALA A 29 4.155 -9.934 -1.789 1.00 0.00 C ATOM 388 O ALA A 29 5.316 -9.559 -1.956 1.00 0.00 O ATOM 389 CB ALA A 29 2.528 -9.936 -3.689 1.00 0.00 C ATOM 0 H ALA A 29 1.722 -11.915 -2.474 1.00 0.00 H new ATOM 0 HA ALA A 29 4.218 -11.232 -3.478 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.099 -9.129 -4.149 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.078 -10.551 -4.468 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.743 -9.513 -3.062 1.00 0.00 H new ATOM 395 N TYR A 30 3.443 -9.626 -0.711 1.00 0.00 N ATOM 396 CA TYR A 30 3.996 -8.810 0.363 1.00 0.00 C ATOM 397 C TYR A 30 5.269 -9.437 0.923 1.00 0.00 C ATOM 398 O TYR A 30 6.342 -8.835 0.878 1.00 0.00 O ATOM 399 CB TYR A 30 2.967 -8.634 1.480 1.00 0.00 C ATOM 400 CG TYR A 30 3.573 -8.217 2.801 1.00 0.00 C ATOM 401 CD1 TYR A 30 3.931 -6.896 3.039 1.00 0.00 C ATOM 402 CD2 TYR A 30 3.786 -9.146 3.813 1.00 0.00 C ATOM 403 CE1 TYR A 30 4.485 -6.512 4.244 1.00 0.00 C ATOM 404 CE2 TYR A 30 4.338 -8.770 5.022 1.00 0.00 C ATOM 405 CZ TYR A 30 4.687 -7.452 5.233 1.00 0.00 C ATOM 406 OH TYR A 30 5.238 -7.073 6.435 1.00 0.00 O ATOM 0 H TYR A 30 2.481 -9.929 -0.558 1.00 0.00 H new ATOM 0 HA TYR A 30 4.245 -7.832 -0.049 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.235 -7.887 1.174 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.428 -9.571 1.617 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.773 -6.156 2.268 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.515 -10.179 3.651 1.00 0.00 H new ATOM 0 HE1 TYR A 30 4.759 -5.481 4.411 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.496 -9.504 5.798 1.00 0.00 H new ATOM 0 HH TYR A 30 5.312 -7.854 7.022 1.00 0.00 H new ATOM 416 N ARG A 31 5.141 -10.650 1.450 1.00 0.00 N ATOM 417 CA ARG A 31 6.280 -11.359 2.019 1.00 0.00 C ATOM 418 C ARG A 31 7.553 -11.065 1.232 1.00 0.00 C ATOM 419 O ARG A 31 8.544 -10.588 1.786 1.00 0.00 O ATOM 420 CB ARG A 31 6.014 -12.866 2.035 1.00 0.00 C ATOM 421 CG ARG A 31 4.761 -13.255 2.803 1.00 0.00 C ATOM 422 CD ARG A 31 4.827 -14.696 3.283 1.00 0.00 C ATOM 423 NE ARG A 31 4.011 -14.915 4.474 1.00 0.00 N ATOM 424 CZ ARG A 31 4.231 -15.891 5.347 1.00 0.00 C ATOM 425 NH1 ARG A 31 5.238 -16.734 5.164 1.00 0.00 N ATOM 426 NH2 ARG A 31 3.444 -16.025 6.407 1.00 0.00 N ATOM 0 H ARG A 31 4.260 -11.162 1.495 1.00 0.00 H new ATOM 0 HA ARG A 31 6.418 -11.010 3.042 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.926 -13.222 1.008 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.872 -13.373 2.476 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.636 -12.591 3.658 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.887 -13.122 2.166 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.490 -15.359 2.486 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.862 -14.959 3.500 1.00 0.00 H new ATOM 0 HE ARG A 31 3.229 -14.283 4.645 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.846 -16.634 4.351 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.405 -17.483 5.836 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.669 -15.378 6.552 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.614 -16.775 7.077 1.00 0.00 H new ATOM 440 N LYS A 32 7.521 -11.354 -0.065 1.00 0.00 N ATOM 441 CA LYS A 32 8.670 -11.121 -0.931 1.00 0.00 C ATOM 442 C LYS A 32 8.954 -9.628 -1.068 1.00 0.00 C ATOM 443 O LYS A 32 10.044 -9.160 -0.739 1.00 0.00 O ATOM 444 CB LYS A 32 8.428 -11.734 -2.311 1.00 0.00 C ATOM 445 CG LYS A 32 8.300 -13.247 -2.291 1.00 0.00 C ATOM 446 CD LYS A 32 6.874 -13.682 -2.000 1.00 0.00 C ATOM 447 CE LYS A 32 6.629 -15.119 -2.436 1.00 0.00 C ATOM 448 NZ LYS A 32 7.355 -16.092 -1.573 1.00 0.00 N ATOM 0 H LYS A 32 6.710 -11.751 -0.540 1.00 0.00 H new ATOM 0 HA LYS A 32 9.538 -11.598 -0.477 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.519 -11.307 -2.735 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.249 -11.456 -2.972 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.616 -13.653 -3.252 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.969 -13.660 -1.536 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.674 -13.585 -0.933 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.178 -13.020 -2.516 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.560 -15.331 -2.403 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.947 -15.244 -3.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.162 -17.059 -1.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.377 -15.906 -1.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.033 -15.991 -0.589 1.00 0.00 H new ATOM 462 N LEU A 33 7.966 -8.886 -1.556 1.00 0.00 N ATOM 463 CA LEU A 33 8.108 -7.445 -1.735 1.00 0.00 C ATOM 464 C LEU A 33 8.887 -6.826 -0.579 1.00 0.00 C ATOM 465 O LEU A 33 9.730 -5.953 -0.782 1.00 0.00 O ATOM 466 CB LEU A 33 6.732 -6.787 -1.849 1.00 0.00 C ATOM 467 CG LEU A 33 6.006 -6.975 -3.181 1.00 0.00 C ATOM 468 CD1 LEU A 33 4.561 -6.513 -3.072 1.00 0.00 C ATOM 469 CD2 LEU A 33 6.726 -6.224 -4.292 1.00 0.00 C ATOM 0 H LEU A 33 7.058 -9.258 -1.835 1.00 0.00 H new ATOM 0 HA LEU A 33 8.664 -7.272 -2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.097 -7.178 -1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.847 -5.718 -1.668 1.00 0.00 H new ATOM 0 HG LEU A 33 6.008 -8.037 -3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.061 -6.655 -4.030 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.050 -7.096 -2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.536 -5.457 -2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.195 -6.369 -5.233 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.756 -5.161 -4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.743 -6.603 -4.387 1.00 0.00 H new ATOM 481 N ALA A 34 8.599 -7.287 0.634 1.00 0.00 N ATOM 482 CA ALA A 34 9.275 -6.782 1.823 1.00 0.00 C ATOM 483 C ALA A 34 10.786 -6.958 1.712 1.00 0.00 C ATOM 484 O ALA A 34 11.551 -6.037 2.000 1.00 0.00 O ATOM 485 CB ALA A 34 8.750 -7.483 3.067 1.00 0.00 C ATOM 0 H ALA A 34 7.903 -8.009 0.819 1.00 0.00 H new ATOM 0 HA ALA A 34 9.065 -5.716 1.905 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.264 -7.096 3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.680 -7.301 3.163 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.930 -8.555 2.984 1.00 0.00 H new ATOM 491 N LEU A 35 11.209 -8.146 1.294 1.00 0.00 N ATOM 492 CA LEU A 35 12.629 -8.443 1.146 1.00 0.00 C ATOM 493 C LEU A 35 13.235 -7.646 -0.004 1.00 0.00 C ATOM 494 O LEU A 35 14.363 -7.161 0.090 1.00 0.00 O ATOM 495 CB LEU A 35 12.835 -9.940 0.908 1.00 0.00 C ATOM 496 CG LEU A 35 12.550 -10.855 2.100 1.00 0.00 C ATOM 497 CD1 LEU A 35 11.139 -11.416 2.017 1.00 0.00 C ATOM 498 CD2 LEU A 35 13.571 -11.982 2.163 1.00 0.00 C ATOM 0 H LEU A 35 10.589 -8.919 1.052 1.00 0.00 H new ATOM 0 HA LEU A 35 13.133 -8.155 2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.197 -10.247 0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.866 -10.099 0.592 1.00 0.00 H new ATOM 0 HG LEU A 35 12.631 -10.266 3.013 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.954 -12.065 2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.421 -10.596 2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.029 -11.990 1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 35 13.353 -12.623 3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.521 -12.569 1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.571 -11.562 2.271 1.00 0.00 H new ATOM 510 N ARG A 36 12.478 -7.512 -1.088 1.00 0.00 N ATOM 511 CA ARG A 36 12.940 -6.772 -2.256 1.00 0.00 C ATOM 512 C ARG A 36 13.214 -5.313 -1.902 1.00 0.00 C ATOM 513 O ARG A 36 14.315 -4.808 -2.120 1.00 0.00 O ATOM 514 CB ARG A 36 11.904 -6.850 -3.379 1.00 0.00 C ATOM 515 CG ARG A 36 12.354 -6.186 -4.670 1.00 0.00 C ATOM 516 CD ARG A 36 11.735 -6.857 -5.886 1.00 0.00 C ATOM 517 NE ARG A 36 12.138 -6.211 -7.132 1.00 0.00 N ATOM 518 CZ ARG A 36 11.532 -6.417 -8.296 1.00 0.00 C ATOM 519 NH1 ARG A 36 10.500 -7.247 -8.373 1.00 0.00 N ATOM 520 NH2 ARG A 36 11.957 -5.792 -9.387 1.00 0.00 N ATOM 0 H ARG A 36 11.542 -7.906 -1.182 1.00 0.00 H new ATOM 0 HA ARG A 36 13.870 -7.226 -2.598 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.676 -7.897 -3.579 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.980 -6.381 -3.042 1.00 0.00 H new ATOM 0 HG2 ARG A 36 12.077 -5.132 -4.654 1.00 0.00 H new ATOM 0 HG3 ARG A 36 13.441 -6.229 -4.743 1.00 0.00 H new ATOM 0 HD2 ARG A 36 12.029 -7.906 -5.910 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.649 -6.832 -5.800 1.00 0.00 H new ATOM 0 HE ARG A 36 12.928 -5.566 -7.107 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.170 -7.729 -7.537 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.037 -7.403 -9.268 1.00 0.00 H new ATOM 0 HH21 ARG A 36 12.750 -5.153 -9.332 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.491 -5.951 -10.280 1.00 0.00 H new ATOM 534 N TRP A 37 12.206 -4.643 -1.357 1.00 0.00 N ATOM 535 CA TRP A 37 12.338 -3.242 -0.973 1.00 0.00 C ATOM 536 C TRP A 37 13.180 -3.101 0.290 1.00 0.00 C ATOM 537 O TRP A 37 13.544 -1.992 0.684 1.00 0.00 O ATOM 538 CB TRP A 37 10.958 -2.620 -0.754 1.00 0.00 C ATOM 539 CG TRP A 37 10.296 -2.180 -2.025 1.00 0.00 C ATOM 540 CD1 TRP A 37 9.195 -2.737 -2.610 1.00 0.00 C ATOM 541 CD2 TRP A 37 10.694 -1.093 -2.867 1.00 0.00 C ATOM 542 NE1 TRP A 37 8.885 -2.062 -3.766 1.00 0.00 N ATOM 543 CE2 TRP A 37 9.789 -1.049 -3.945 1.00 0.00 C ATOM 544 CE3 TRP A 37 11.726 -0.152 -2.814 1.00 0.00 C ATOM 545 CZ2 TRP A 37 9.887 -0.101 -4.960 1.00 0.00 C ATOM 546 CZ3 TRP A 37 11.822 0.787 -3.823 1.00 0.00 C ATOM 547 CH2 TRP A 37 10.907 0.808 -4.884 1.00 0.00 C ATOM 0 H TRP A 37 11.288 -5.047 -1.171 1.00 0.00 H new ATOM 0 HA TRP A 37 12.842 -2.715 -1.783 1.00 0.00 H new ATOM 0 HB2 TRP A 37 10.317 -3.344 -0.251 1.00 0.00 H new ATOM 0 HB3 TRP A 37 11.055 -1.763 -0.088 1.00 0.00 H new ATOM 0 HD1 TRP A 37 8.648 -3.583 -2.221 1.00 0.00 H new ATOM 0 HE1 TRP A 37 8.108 -2.280 -4.390 1.00 0.00 H new ATOM 0 HE3 TRP A 37 12.435 -0.159 -2.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 9.183 -0.084 -5.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 12.617 1.518 -3.793 1.00 0.00 H new ATOM 0 HH2 TRP A 37 11.009 1.556 -5.657 1.00 0.00 H new ATOM 558 N HIS A 38 13.486 -4.229 0.922 1.00 0.00 N ATOM 559 CA HIS A 38 14.287 -4.230 2.141 1.00 0.00 C ATOM 560 C HIS A 38 15.605 -3.493 1.926 1.00 0.00 C ATOM 561 O HIS A 38 16.247 -3.610 0.881 1.00 0.00 O ATOM 562 CB HIS A 38 14.559 -5.664 2.597 1.00 0.00 C ATOM 563 CG HIS A 38 14.796 -5.789 4.070 1.00 0.00 C ATOM 564 ND1 HIS A 38 16.045 -5.674 4.644 1.00 0.00 N ATOM 565 CD2 HIS A 38 13.936 -6.019 5.089 1.00 0.00 C ATOM 566 CE1 HIS A 38 15.942 -5.830 5.951 1.00 0.00 C ATOM 567 NE2 HIS A 38 14.673 -6.040 6.248 1.00 0.00 N ATOM 0 H HIS A 38 13.191 -5.154 0.610 1.00 0.00 H new ATOM 0 HA HIS A 38 13.724 -3.711 2.917 1.00 0.00 H new ATOM 0 HB2 HIS A 38 13.712 -6.292 2.319 1.00 0.00 H new ATOM 0 HB3 HIS A 38 15.429 -6.047 2.064 1.00 0.00 H new ATOM 0 HD2 HIS A 38 12.868 -6.160 5.006 1.00 0.00 H new ATOM 0 HE1 HIS A 38 16.758 -5.792 6.658 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.301 -6.193 7.185 1.00 0.00 H new ATOM 575 N PRO A 39 16.020 -2.714 2.936 1.00 0.00 N ATOM 576 CA PRO A 39 17.266 -1.943 2.880 1.00 0.00 C ATOM 577 C PRO A 39 18.502 -2.834 2.929 1.00 0.00 C ATOM 578 O PRO A 39 19.406 -2.704 2.104 1.00 0.00 O ATOM 579 CB PRO A 39 17.193 -1.061 4.129 1.00 0.00 C ATOM 580 CG PRO A 39 16.309 -1.807 5.068 1.00 0.00 C ATOM 581 CD PRO A 39 15.307 -2.527 4.210 1.00 0.00 C ATOM 0 HA PRO A 39 17.357 -1.382 1.950 1.00 0.00 H new ATOM 0 HB2 PRO A 39 18.182 -0.901 4.559 1.00 0.00 H new ATOM 0 HB3 PRO A 39 16.784 -0.078 3.896 1.00 0.00 H new ATOM 0 HG2 PRO A 39 16.884 -2.510 5.670 1.00 0.00 H new ATOM 0 HG3 PRO A 39 15.813 -1.127 5.760 1.00 0.00 H new ATOM 0 HD2 PRO A 39 15.013 -3.480 4.650 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.397 -1.942 4.079 1.00 0.00 H new ATOM 589 N ASP A 40 18.535 -3.739 3.901 1.00 0.00 N ATOM 590 CA ASP A 40 19.661 -4.653 4.057 1.00 0.00 C ATOM 591 C ASP A 40 19.924 -5.416 2.762 1.00 0.00 C ATOM 592 O ASP A 40 21.069 -5.732 2.437 1.00 0.00 O ATOM 593 CB ASP A 40 19.393 -5.636 5.198 1.00 0.00 C ATOM 594 CG ASP A 40 19.620 -5.015 6.562 1.00 0.00 C ATOM 595 OD1 ASP A 40 20.516 -4.153 6.680 1.00 0.00 O ATOM 596 OD2 ASP A 40 18.901 -5.391 7.511 1.00 0.00 O ATOM 0 H ASP A 40 17.795 -3.859 4.593 1.00 0.00 H new ATOM 0 HA ASP A 40 20.546 -4.064 4.297 1.00 0.00 H new ATOM 0 HB2 ASP A 40 18.366 -5.994 5.131 1.00 0.00 H new ATOM 0 HB3 ASP A 40 20.041 -6.505 5.085 1.00 0.00 H new ATOM 601 N LYS A 41 18.857 -5.711 2.028 1.00 0.00 N ATOM 602 CA LYS A 41 18.971 -6.437 0.769 1.00 0.00 C ATOM 603 C LYS A 41 19.467 -5.520 -0.345 1.00 0.00 C ATOM 604 O LYS A 41 19.991 -5.985 -1.356 1.00 0.00 O ATOM 605 CB LYS A 41 17.619 -7.042 0.381 1.00 0.00 C ATOM 606 CG LYS A 41 17.342 -8.382 1.039 1.00 0.00 C ATOM 607 CD LYS A 41 18.246 -9.472 0.488 1.00 0.00 C ATOM 608 CE LYS A 41 17.615 -10.168 -0.709 1.00 0.00 C ATOM 609 NZ LYS A 41 18.615 -10.952 -1.485 1.00 0.00 N ATOM 0 H LYS A 41 17.902 -5.458 2.284 1.00 0.00 H new ATOM 0 HA LYS A 41 19.696 -7.239 0.906 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.827 -6.343 0.651 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.582 -7.164 -0.702 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.488 -8.297 2.116 1.00 0.00 H new ATOM 0 HG3 LYS A 41 16.300 -8.658 0.880 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.203 -9.039 0.196 1.00 0.00 H new ATOM 0 HD3 LYS A 41 18.452 -10.204 1.269 1.00 0.00 H new ATOM 0 HE2 LYS A 41 16.820 -10.831 -0.366 1.00 0.00 H new ATOM 0 HE3 LYS A 41 17.152 -9.425 -1.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 18.146 -11.411 -2.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 19.360 -10.316 -1.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.038 -11.678 -0.872 1.00 0.00 H new ATOM 623 N ASN A 42 19.300 -4.216 -0.150 1.00 0.00 N ATOM 624 CA ASN A 42 19.733 -3.234 -1.138 1.00 0.00 C ATOM 625 C ASN A 42 20.948 -2.459 -0.639 1.00 0.00 C ATOM 626 O ASN A 42 20.839 -1.546 0.181 1.00 0.00 O ATOM 627 CB ASN A 42 18.593 -2.266 -1.459 1.00 0.00 C ATOM 628 CG ASN A 42 17.515 -2.905 -2.314 1.00 0.00 C ATOM 629 OD1 ASN A 42 17.725 -3.176 -3.496 1.00 0.00 O ATOM 630 ND2 ASN A 42 16.354 -3.149 -1.718 1.00 0.00 N ATOM 0 H ASN A 42 18.868 -3.815 0.683 1.00 0.00 H new ATOM 0 HA ASN A 42 20.013 -3.768 -2.046 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.151 -1.908 -0.529 1.00 0.00 H new ATOM 0 HB3 ASN A 42 18.995 -1.395 -1.977 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.592 -3.578 -2.243 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.224 -2.908 -0.736 1.00 0.00 H new ATOM 637 N PRO A 43 22.135 -2.829 -1.143 1.00 0.00 N ATOM 638 CA PRO A 43 23.393 -2.180 -0.763 1.00 0.00 C ATOM 639 C PRO A 43 23.497 -0.757 -1.302 1.00 0.00 C ATOM 640 O PRO A 43 23.781 0.180 -0.555 1.00 0.00 O ATOM 641 CB PRO A 43 24.459 -3.073 -1.403 1.00 0.00 C ATOM 642 CG PRO A 43 23.769 -3.725 -2.551 1.00 0.00 C ATOM 643 CD PRO A 43 22.339 -3.908 -2.124 1.00 0.00 C ATOM 0 HA PRO A 43 23.491 -2.082 0.318 1.00 0.00 H new ATOM 0 HB2 PRO A 43 25.316 -2.489 -1.737 1.00 0.00 H new ATOM 0 HB3 PRO A 43 24.833 -3.812 -0.695 1.00 0.00 H new ATOM 0 HG2 PRO A 43 23.833 -3.107 -3.447 1.00 0.00 H new ATOM 0 HG3 PRO A 43 24.230 -4.683 -2.791 1.00 0.00 H new ATOM 0 HD2 PRO A 43 21.654 -3.820 -2.967 1.00 0.00 H new ATOM 0 HD3 PRO A 43 22.174 -4.890 -1.681 1.00 0.00 H new ATOM 651 N ASP A 44 23.266 -0.603 -2.601 1.00 0.00 N ATOM 652 CA ASP A 44 23.333 0.707 -3.239 1.00 0.00 C ATOM 653 C ASP A 44 22.585 1.751 -2.415 1.00 0.00 C ATOM 654 O ASP A 44 23.172 2.730 -1.956 1.00 0.00 O ATOM 655 CB ASP A 44 22.750 0.640 -4.651 1.00 0.00 C ATOM 656 CG ASP A 44 22.787 1.981 -5.357 1.00 0.00 C ATOM 657 OD1 ASP A 44 22.402 2.991 -4.732 1.00 0.00 O ATOM 658 OD2 ASP A 44 23.202 2.021 -6.535 1.00 0.00 O ATOM 0 H ASP A 44 23.031 -1.368 -3.233 1.00 0.00 H new ATOM 0 HA ASP A 44 24.381 1.001 -3.301 1.00 0.00 H new ATOM 0 HB2 ASP A 44 23.307 -0.091 -5.237 1.00 0.00 H new ATOM 0 HB3 ASP A 44 21.720 0.288 -4.599 1.00 0.00 H new ATOM 663 N ASN A 45 21.286 1.536 -2.234 1.00 0.00 N ATOM 664 CA ASN A 45 20.457 2.459 -1.468 1.00 0.00 C ATOM 665 C ASN A 45 19.801 1.749 -0.287 1.00 0.00 C ATOM 666 O ASN A 45 18.983 0.847 -0.468 1.00 0.00 O ATOM 667 CB ASN A 45 19.385 3.079 -2.365 1.00 0.00 C ATOM 668 CG ASN A 45 18.606 2.035 -3.142 1.00 0.00 C ATOM 669 OD1 ASN A 45 19.187 1.190 -3.822 1.00 0.00 O ATOM 670 ND2 ASN A 45 17.283 2.090 -3.043 1.00 0.00 N ATOM 0 H ASN A 45 20.785 0.730 -2.608 1.00 0.00 H new ATOM 0 HA ASN A 45 21.099 3.250 -1.082 1.00 0.00 H new ATOM 0 HB2 ASN A 45 18.696 3.662 -1.753 1.00 0.00 H new ATOM 0 HB3 ASN A 45 19.855 3.771 -3.063 1.00 0.00 H new ATOM 0 HD21 ASN A 45 16.706 1.414 -3.543 1.00 0.00 H new ATOM 0 HD22 ASN A 45 16.844 2.808 -2.467 1.00 0.00 H new ATOM 677 N LYS A 46 20.165 2.163 0.922 1.00 0.00 N ATOM 678 CA LYS A 46 19.611 1.570 2.133 1.00 0.00 C ATOM 679 C LYS A 46 18.397 2.357 2.618 1.00 0.00 C ATOM 680 O LYS A 46 17.324 1.792 2.827 1.00 0.00 O ATOM 681 CB LYS A 46 20.673 1.521 3.233 1.00 0.00 C ATOM 682 CG LYS A 46 21.617 0.337 3.115 1.00 0.00 C ATOM 683 CD LYS A 46 22.823 0.669 2.252 1.00 0.00 C ATOM 684 CE LYS A 46 23.973 -0.293 2.509 1.00 0.00 C ATOM 685 NZ LYS A 46 25.143 -0.004 1.633 1.00 0.00 N ATOM 0 H LYS A 46 20.842 2.908 1.089 1.00 0.00 H new ATOM 0 HA LYS A 46 19.293 0.554 1.898 1.00 0.00 H new ATOM 0 HB2 LYS A 46 21.254 2.443 3.206 1.00 0.00 H new ATOM 0 HB3 LYS A 46 20.178 1.485 4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 46 21.951 0.036 4.108 1.00 0.00 H new ATOM 0 HG3 LYS A 46 21.085 -0.512 2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 46 22.541 0.628 1.200 1.00 0.00 H new ATOM 0 HD3 LYS A 46 23.148 1.689 2.456 1.00 0.00 H new ATOM 0 HE2 LYS A 46 24.276 -0.226 3.554 1.00 0.00 H new ATOM 0 HE3 LYS A 46 23.636 -1.316 2.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 25.736 -0.855 1.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 24.809 0.274 0.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 25.702 0.770 2.045 1.00 0.00 H new ATOM 699 N GLU A 47 18.575 3.662 2.793 1.00 0.00 N ATOM 700 CA GLU A 47 17.493 4.525 3.253 1.00 0.00 C ATOM 701 C GLU A 47 16.328 4.508 2.268 1.00 0.00 C ATOM 702 O GLU A 47 15.240 4.029 2.587 1.00 0.00 O ATOM 703 CB GLU A 47 17.998 5.958 3.439 1.00 0.00 C ATOM 704 CG GLU A 47 16.919 6.929 3.887 1.00 0.00 C ATOM 705 CD GLU A 47 17.352 8.378 3.769 1.00 0.00 C ATOM 706 OE1 GLU A 47 17.977 8.890 4.721 1.00 0.00 O ATOM 707 OE2 GLU A 47 17.067 8.998 2.723 1.00 0.00 O ATOM 0 H GLU A 47 19.457 4.145 2.623 1.00 0.00 H new ATOM 0 HA GLU A 47 17.141 4.144 4.212 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.803 5.958 4.174 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.424 6.309 2.499 1.00 0.00 H new ATOM 0 HG2 GLU A 47 16.022 6.772 3.287 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.652 6.717 4.922 1.00 0.00 H new ATOM 714 N GLU A 48 16.565 5.036 1.071 1.00 0.00 N ATOM 715 CA GLU A 48 15.534 5.083 0.041 1.00 0.00 C ATOM 716 C GLU A 48 14.669 3.826 0.079 1.00 0.00 C ATOM 717 O GLU A 48 13.441 3.904 0.044 1.00 0.00 O ATOM 718 CB GLU A 48 16.171 5.235 -1.342 1.00 0.00 C ATOM 719 CG GLU A 48 15.166 5.208 -2.481 1.00 0.00 C ATOM 720 CD GLU A 48 15.647 5.970 -3.701 1.00 0.00 C ATOM 721 OE1 GLU A 48 16.134 7.108 -3.535 1.00 0.00 O ATOM 722 OE2 GLU A 48 15.535 5.430 -4.821 1.00 0.00 O ATOM 0 H GLU A 48 17.460 5.436 0.791 1.00 0.00 H new ATOM 0 HA GLU A 48 14.899 5.946 0.238 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.723 6.175 -1.377 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.896 4.434 -1.489 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.965 4.173 -2.759 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.223 5.635 -2.139 1.00 0.00 H new ATOM 729 N ALA A 49 15.319 2.669 0.150 1.00 0.00 N ATOM 730 CA ALA A 49 14.611 1.396 0.194 1.00 0.00 C ATOM 731 C ALA A 49 13.831 1.247 1.496 1.00 0.00 C ATOM 732 O ALA A 49 12.661 0.865 1.488 1.00 0.00 O ATOM 733 CB ALA A 49 15.588 0.242 0.027 1.00 0.00 C ATOM 0 H ALA A 49 16.335 2.587 0.178 1.00 0.00 H new ATOM 0 HA ALA A 49 13.899 1.376 -0.631 1.00 0.00 H new ATOM 0 HB1 ALA A 49 15.045 -0.702 0.062 1.00 0.00 H new ATOM 0 HB2 ALA A 49 16.097 0.332 -0.932 1.00 0.00 H new ATOM 0 HB3 ALA A 49 16.323 0.268 0.832 1.00 0.00 H new ATOM 739 N GLU A 50 14.487 1.551 2.611 1.00 0.00 N ATOM 740 CA GLU A 50 13.853 1.448 3.921 1.00 0.00 C ATOM 741 C GLU A 50 12.491 2.136 3.922 1.00 0.00 C ATOM 742 O GLU A 50 11.484 1.543 4.309 1.00 0.00 O ATOM 743 CB GLU A 50 14.750 2.067 4.995 1.00 0.00 C ATOM 744 CG GLU A 50 14.433 1.588 6.402 1.00 0.00 C ATOM 745 CD GLU A 50 14.970 2.521 7.471 1.00 0.00 C ATOM 746 OE1 GLU A 50 16.191 2.483 7.731 1.00 0.00 O ATOM 747 OE2 GLU A 50 14.171 3.288 8.046 1.00 0.00 O ATOM 0 H GLU A 50 15.456 1.870 2.634 1.00 0.00 H new ATOM 0 HA GLU A 50 13.707 0.391 4.144 1.00 0.00 H new ATOM 0 HB2 GLU A 50 15.790 1.834 4.766 1.00 0.00 H new ATOM 0 HB3 GLU A 50 14.651 3.152 4.958 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.353 1.495 6.515 1.00 0.00 H new ATOM 0 HG3 GLU A 50 14.856 0.594 6.547 1.00 0.00 H new ATOM 754 N LYS A 51 12.468 3.390 3.486 1.00 0.00 N ATOM 755 CA LYS A 51 11.231 4.161 3.434 1.00 0.00 C ATOM 756 C LYS A 51 10.099 3.333 2.833 1.00 0.00 C ATOM 757 O LYS A 51 9.068 3.117 3.470 1.00 0.00 O ATOM 758 CB LYS A 51 11.434 5.437 2.615 1.00 0.00 C ATOM 759 CG LYS A 51 10.142 6.171 2.302 1.00 0.00 C ATOM 760 CD LYS A 51 9.471 6.683 3.566 1.00 0.00 C ATOM 761 CE LYS A 51 10.198 7.893 4.132 1.00 0.00 C ATOM 762 NZ LYS A 51 9.588 8.360 5.407 1.00 0.00 N ATOM 0 H LYS A 51 13.293 3.895 3.163 1.00 0.00 H new ATOM 0 HA LYS A 51 10.958 4.432 4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.099 6.106 3.160 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.933 5.183 1.680 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.350 7.008 1.635 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.462 5.503 1.773 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.436 6.948 3.348 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.446 5.890 4.313 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.245 7.641 4.301 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.179 8.702 3.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.112 9.186 5.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.596 8.624 5.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.629 7.596 6.112 1.00 0.00 H new ATOM 776 N LYS A 52 10.299 2.870 1.604 1.00 0.00 N ATOM 777 CA LYS A 52 9.297 2.064 0.917 1.00 0.00 C ATOM 778 C LYS A 52 8.784 0.948 1.821 1.00 0.00 C ATOM 779 O LYS A 52 7.582 0.690 1.885 1.00 0.00 O ATOM 780 CB LYS A 52 9.884 1.468 -0.364 1.00 0.00 C ATOM 781 CG LYS A 52 9.986 2.463 -1.507 1.00 0.00 C ATOM 782 CD LYS A 52 8.647 2.659 -2.197 1.00 0.00 C ATOM 783 CE LYS A 52 8.824 3.069 -3.651 1.00 0.00 C ATOM 784 NZ LYS A 52 7.559 3.593 -4.237 1.00 0.00 N ATOM 0 H LYS A 52 11.147 3.039 1.063 1.00 0.00 H new ATOM 0 HA LYS A 52 8.460 2.712 0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.876 1.072 -0.149 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.267 0.627 -0.680 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.344 3.420 -1.127 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.722 2.113 -2.231 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.071 1.735 -2.146 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.073 3.421 -1.670 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.600 3.831 -3.722 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.165 2.212 -4.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.721 3.862 -5.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.825 2.857 -4.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.246 4.426 -3.699 1.00 0.00 H new ATOM 798 N PHE A 53 9.703 0.289 2.519 1.00 0.00 N ATOM 799 CA PHE A 53 9.343 -0.800 3.421 1.00 0.00 C ATOM 800 C PHE A 53 8.063 -0.473 4.185 1.00 0.00 C ATOM 801 O PHE A 53 7.170 -1.311 4.312 1.00 0.00 O ATOM 802 CB PHE A 53 10.482 -1.074 4.405 1.00 0.00 C ATOM 803 CG PHE A 53 10.321 -2.359 5.165 1.00 0.00 C ATOM 804 CD1 PHE A 53 10.595 -3.575 4.561 1.00 0.00 C ATOM 805 CD2 PHE A 53 9.897 -2.350 6.484 1.00 0.00 C ATOM 806 CE1 PHE A 53 10.447 -4.759 5.259 1.00 0.00 C ATOM 807 CE2 PHE A 53 9.748 -3.531 7.187 1.00 0.00 C ATOM 808 CZ PHE A 53 10.024 -4.737 6.574 1.00 0.00 C ATOM 0 H PHE A 53 10.702 0.490 2.478 1.00 0.00 H new ATOM 0 HA PHE A 53 9.169 -1.693 2.820 1.00 0.00 H new ATOM 0 HB2 PHE A 53 11.425 -1.100 3.859 1.00 0.00 H new ATOM 0 HB3 PHE A 53 10.546 -0.248 5.113 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.928 -3.598 3.534 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.680 -1.409 6.969 1.00 0.00 H new ATOM 0 HE1 PHE A 53 10.662 -5.701 4.776 1.00 0.00 H new ATOM 0 HE2 PHE A 53 9.416 -3.510 8.215 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.909 -5.661 7.121 1.00 0.00 H new ATOM 818 N LYS A 54 7.982 0.753 4.693 1.00 0.00 N ATOM 819 CA LYS A 54 6.813 1.194 5.444 1.00 0.00 C ATOM 820 C LYS A 54 5.560 1.152 4.575 1.00 0.00 C ATOM 821 O LYS A 54 4.505 0.689 5.011 1.00 0.00 O ATOM 822 CB LYS A 54 7.029 2.611 5.979 1.00 0.00 C ATOM 823 CG LYS A 54 6.091 2.983 7.114 1.00 0.00 C ATOM 824 CD LYS A 54 4.768 3.518 6.592 1.00 0.00 C ATOM 825 CE LYS A 54 4.006 4.271 7.672 1.00 0.00 C ATOM 826 NZ LYS A 54 3.657 3.390 8.821 1.00 0.00 N ATOM 0 H LYS A 54 8.713 1.458 4.598 1.00 0.00 H new ATOM 0 HA LYS A 54 6.674 0.513 6.284 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.059 2.707 6.324 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.898 3.322 5.163 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.910 2.108 7.739 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.564 3.734 7.747 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.951 4.180 5.745 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.159 2.691 6.225 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.609 5.107 8.026 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.095 4.692 7.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.066 3.917 9.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.133 2.561 8.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.528 3.076 9.295 1.00 0.00 H new ATOM 840 N LEU A 55 5.683 1.637 3.345 1.00 0.00 N ATOM 841 CA LEU A 55 4.560 1.654 2.413 1.00 0.00 C ATOM 842 C LEU A 55 3.977 0.256 2.238 1.00 0.00 C ATOM 843 O LEU A 55 2.774 0.050 2.393 1.00 0.00 O ATOM 844 CB LEU A 55 5.005 2.208 1.058 1.00 0.00 C ATOM 845 CG LEU A 55 4.874 3.720 0.875 1.00 0.00 C ATOM 846 CD1 LEU A 55 3.422 4.151 1.011 1.00 0.00 C ATOM 847 CD2 LEU A 55 5.747 4.456 1.881 1.00 0.00 C ATOM 0 H LEU A 55 6.549 2.024 2.969 1.00 0.00 H new ATOM 0 HA LEU A 55 3.786 2.301 2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.048 1.932 0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.423 1.716 0.278 1.00 0.00 H new ATOM 0 HG LEU A 55 5.215 3.976 -0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.349 5.230 0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.821 3.650 0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.054 3.882 2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.641 5.531 1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.437 4.194 2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.789 4.171 1.736 1.00 0.00 H new ATOM 859 N VAL A 56 4.839 -0.703 1.914 1.00 0.00 N ATOM 860 CA VAL A 56 4.411 -2.083 1.721 1.00 0.00 C ATOM 861 C VAL A 56 3.706 -2.619 2.962 1.00 0.00 C ATOM 862 O VAL A 56 2.608 -3.167 2.877 1.00 0.00 O ATOM 863 CB VAL A 56 5.602 -2.999 1.384 1.00 0.00 C ATOM 864 CG1 VAL A 56 5.152 -4.449 1.291 1.00 0.00 C ATOM 865 CG2 VAL A 56 6.267 -2.554 0.091 1.00 0.00 C ATOM 0 H VAL A 56 5.838 -0.549 1.780 1.00 0.00 H new ATOM 0 HA VAL A 56 3.714 -2.083 0.883 1.00 0.00 H new ATOM 0 HB VAL A 56 6.335 -2.923 2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.007 -5.081 1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.727 -4.760 2.245 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.399 -4.547 0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.107 -3.213 -0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.544 -2.599 -0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.627 -1.531 0.200 1.00 0.00 H new ATOM 875 N SER A 57 4.346 -2.455 4.116 1.00 0.00 N ATOM 876 CA SER A 57 3.782 -2.926 5.376 1.00 0.00 C ATOM 877 C SER A 57 2.383 -2.358 5.590 1.00 0.00 C ATOM 878 O SER A 57 1.471 -3.069 6.010 1.00 0.00 O ATOM 879 CB SER A 57 4.690 -2.532 6.543 1.00 0.00 C ATOM 880 OG SER A 57 4.416 -1.212 6.979 1.00 0.00 O ATOM 0 H SER A 57 5.255 -2.000 4.204 1.00 0.00 H new ATOM 0 HA SER A 57 3.711 -4.013 5.331 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.548 -3.228 7.370 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.734 -2.608 6.238 1.00 0.00 H new ATOM 0 HG SER A 57 4.485 -0.596 6.220 1.00 0.00 H new ATOM 886 N GLU A 58 2.222 -1.071 5.299 1.00 0.00 N ATOM 887 CA GLU A 58 0.934 -0.406 5.461 1.00 0.00 C ATOM 888 C GLU A 58 -0.064 -0.892 4.414 1.00 0.00 C ATOM 889 O GLU A 58 -1.076 -1.508 4.746 1.00 0.00 O ATOM 890 CB GLU A 58 1.101 1.111 5.356 1.00 0.00 C ATOM 891 CG GLU A 58 -0.132 1.890 5.783 1.00 0.00 C ATOM 892 CD GLU A 58 0.022 3.384 5.575 1.00 0.00 C ATOM 893 OE1 GLU A 58 1.103 3.919 5.898 1.00 0.00 O ATOM 894 OE2 GLU A 58 -0.939 4.018 5.092 1.00 0.00 O ATOM 0 H GLU A 58 2.967 -0.468 4.950 1.00 0.00 H new ATOM 0 HA GLU A 58 0.548 -0.654 6.450 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.946 1.419 5.972 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.346 1.371 4.326 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.995 1.535 5.219 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.336 1.692 6.835 1.00 0.00 H new ATOM 901 N ALA A 59 0.229 -0.610 3.149 1.00 0.00 N ATOM 902 CA ALA A 59 -0.641 -1.019 2.053 1.00 0.00 C ATOM 903 C ALA A 59 -1.071 -2.474 2.208 1.00 0.00 C ATOM 904 O ALA A 59 -2.244 -2.806 2.035 1.00 0.00 O ATOM 905 CB ALA A 59 0.059 -0.813 0.718 1.00 0.00 C ATOM 0 H ALA A 59 1.063 -0.100 2.858 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.536 -0.398 2.081 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.602 -1.123 -0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.311 0.241 0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.971 -1.409 0.690 1.00 0.00 H new ATOM 911 N TYR A 60 -0.115 -3.337 2.534 1.00 0.00 N ATOM 912 CA TYR A 60 -0.395 -4.757 2.708 1.00 0.00 C ATOM 913 C TYR A 60 -1.521 -4.971 3.715 1.00 0.00 C ATOM 914 O TYR A 60 -2.363 -5.851 3.542 1.00 0.00 O ATOM 915 CB TYR A 60 0.864 -5.494 3.170 1.00 0.00 C ATOM 916 CG TYR A 60 0.576 -6.796 3.882 1.00 0.00 C ATOM 917 CD1 TYR A 60 -0.201 -7.780 3.285 1.00 0.00 C ATOM 918 CD2 TYR A 60 1.081 -7.041 5.153 1.00 0.00 C ATOM 919 CE1 TYR A 60 -0.467 -8.971 3.933 1.00 0.00 C ATOM 920 CE2 TYR A 60 0.822 -8.230 5.808 1.00 0.00 C ATOM 921 CZ TYR A 60 0.047 -9.192 5.193 1.00 0.00 C ATOM 922 OH TYR A 60 -0.215 -10.376 5.842 1.00 0.00 O ATOM 0 H TYR A 60 0.860 -3.078 2.683 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.711 -5.159 1.746 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.496 -5.695 2.305 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.432 -4.844 3.835 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.604 -7.611 2.297 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.686 -6.289 5.637 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.075 -9.725 3.455 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.224 -8.405 6.795 1.00 0.00 H new ATOM 0 HH TYR A 60 0.222 -10.372 6.719 1.00 0.00 H new ATOM 932 N GLU A 61 -1.528 -4.158 4.767 1.00 0.00 N ATOM 933 CA GLU A 61 -2.549 -4.258 5.802 1.00 0.00 C ATOM 934 C GLU A 61 -3.839 -3.570 5.363 1.00 0.00 C ATOM 935 O GLU A 61 -4.933 -4.103 5.544 1.00 0.00 O ATOM 936 CB GLU A 61 -2.047 -3.637 7.108 1.00 0.00 C ATOM 937 CG GLU A 61 -0.851 -4.360 7.704 1.00 0.00 C ATOM 938 CD GLU A 61 -1.248 -5.586 8.503 1.00 0.00 C ATOM 939 OE1 GLU A 61 -1.584 -5.435 9.696 1.00 0.00 O ATOM 940 OE2 GLU A 61 -1.224 -6.697 7.933 1.00 0.00 O ATOM 0 H GLU A 61 -0.838 -3.423 4.924 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.759 -5.315 5.967 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.778 -2.596 6.926 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.859 -3.634 7.835 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.175 -4.657 6.903 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.301 -3.674 8.348 1.00 0.00 H new ATOM 947 N VAL A 62 -3.700 -2.381 4.784 1.00 0.00 N ATOM 948 CA VAL A 62 -4.853 -1.619 4.318 1.00 0.00 C ATOM 949 C VAL A 62 -5.768 -2.480 3.454 1.00 0.00 C ATOM 950 O VAL A 62 -6.990 -2.453 3.607 1.00 0.00 O ATOM 951 CB VAL A 62 -4.418 -0.382 3.509 1.00 0.00 C ATOM 952 CG1 VAL A 62 -5.631 0.344 2.950 1.00 0.00 C ATOM 953 CG2 VAL A 62 -3.579 0.549 4.372 1.00 0.00 C ATOM 0 H VAL A 62 -2.801 -1.925 4.627 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.396 -1.293 5.205 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.806 -0.714 2.670 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.304 1.215 2.382 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.188 -0.328 2.296 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.272 0.666 3.770 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.280 1.418 3.786 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.165 0.875 5.231 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.690 0.022 4.718 1.00 0.00 H new ATOM 963 N LEU A 63 -5.170 -3.245 2.548 1.00 0.00 N ATOM 964 CA LEU A 63 -5.931 -4.117 1.660 1.00 0.00 C ATOM 965 C LEU A 63 -6.229 -5.453 2.332 1.00 0.00 C ATOM 966 O LEU A 63 -7.349 -5.959 2.260 1.00 0.00 O ATOM 967 CB LEU A 63 -5.162 -4.348 0.358 1.00 0.00 C ATOM 968 CG LEU A 63 -4.815 -3.096 -0.448 1.00 0.00 C ATOM 969 CD1 LEU A 63 -3.814 -3.427 -1.544 1.00 0.00 C ATOM 970 CD2 LEU A 63 -6.073 -2.478 -1.041 1.00 0.00 C ATOM 0 H LEU A 63 -4.160 -3.279 2.409 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.878 -3.627 1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.236 -4.872 0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.751 -5.012 -0.275 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.359 -2.369 0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.579 -2.524 -2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.902 -3.823 -1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.242 -4.172 -2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.807 -1.588 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.557 -3.199 -1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.757 -2.203 -0.238 1.00 0.00 H new ATOM 982 N SER A 64 -5.220 -6.019 2.986 1.00 0.00 N ATOM 983 CA SER A 64 -5.374 -7.297 3.670 1.00 0.00 C ATOM 984 C SER A 64 -6.666 -7.328 4.481 1.00 0.00 C ATOM 985 O SER A 64 -7.358 -8.345 4.527 1.00 0.00 O ATOM 986 CB SER A 64 -4.177 -7.556 4.587 1.00 0.00 C ATOM 987 OG SER A 64 -4.430 -8.641 5.463 1.00 0.00 O ATOM 0 H SER A 64 -4.287 -5.613 3.057 1.00 0.00 H new ATOM 0 HA SER A 64 -5.421 -8.081 2.915 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.293 -7.769 3.985 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.959 -6.659 5.167 1.00 0.00 H new ATOM 0 HG SER A 64 -3.649 -8.787 6.037 1.00 0.00 H new ATOM 993 N ASP A 65 -6.983 -6.207 5.119 1.00 0.00 N ATOM 994 CA ASP A 65 -8.192 -6.103 5.927 1.00 0.00 C ATOM 995 C ASP A 65 -9.378 -5.657 5.078 1.00 0.00 C ATOM 996 O ASP A 65 -9.358 -4.579 4.483 1.00 0.00 O ATOM 997 CB ASP A 65 -7.977 -5.121 7.080 1.00 0.00 C ATOM 998 CG ASP A 65 -7.341 -5.778 8.290 1.00 0.00 C ATOM 999 OD1 ASP A 65 -7.994 -6.649 8.903 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -6.192 -5.422 8.624 1.00 0.00 O ATOM 0 H ASP A 65 -6.419 -5.357 5.092 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.412 -7.089 6.335 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.344 -4.301 6.741 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.935 -4.687 7.367 1.00 0.00 H new ATOM 1005 N SER A 66 -10.409 -6.494 5.024 1.00 0.00 N ATOM 1006 CA SER A 66 -11.602 -6.189 4.243 1.00 0.00 C ATOM 1007 C SER A 66 -12.155 -4.815 4.610 1.00 0.00 C ATOM 1008 O SER A 66 -12.632 -4.074 3.751 1.00 0.00 O ATOM 1009 CB SER A 66 -12.672 -7.258 4.468 1.00 0.00 C ATOM 1010 OG SER A 66 -13.738 -7.115 3.544 1.00 0.00 O ATOM 0 H SER A 66 -10.442 -7.389 5.512 1.00 0.00 H new ATOM 0 HA SER A 66 -11.324 -6.180 3.189 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.228 -8.248 4.366 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.056 -7.184 5.485 1.00 0.00 H new ATOM 0 HG SER A 66 -14.408 -7.811 3.708 1.00 0.00 H new ATOM 1016 N LYS A 67 -12.086 -4.481 5.895 1.00 0.00 N ATOM 1017 CA LYS A 67 -12.578 -3.196 6.379 1.00 0.00 C ATOM 1018 C LYS A 67 -11.778 -2.046 5.777 1.00 0.00 C ATOM 1019 O LYS A 67 -12.324 -1.201 5.067 1.00 0.00 O ATOM 1020 CB LYS A 67 -12.501 -3.141 7.906 1.00 0.00 C ATOM 1021 CG LYS A 67 -13.168 -4.320 8.592 1.00 0.00 C ATOM 1022 CD LYS A 67 -14.677 -4.150 8.653 1.00 0.00 C ATOM 1023 CE LYS A 67 -15.091 -3.272 9.825 1.00 0.00 C ATOM 1024 NZ LYS A 67 -16.427 -2.651 9.607 1.00 0.00 N ATOM 0 H LYS A 67 -11.694 -5.082 6.620 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.618 -3.092 6.070 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.454 -3.101 8.207 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.968 -2.219 8.252 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.926 -5.238 8.057 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.772 -4.426 9.602 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.033 -3.708 7.722 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.151 -5.127 8.743 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.112 -3.869 10.737 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.347 -2.490 9.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.673 -2.061 10.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.400 -2.061 8.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.142 -3.397 9.490 1.00 0.00 H new ATOM 1038 N LYS A 68 -10.481 -2.019 6.064 1.00 0.00 N ATOM 1039 CA LYS A 68 -9.604 -0.973 5.549 1.00 0.00 C ATOM 1040 C LYS A 68 -9.573 -0.992 4.024 1.00 0.00 C ATOM 1041 O LYS A 68 -9.352 0.038 3.386 1.00 0.00 O ATOM 1042 CB LYS A 68 -8.188 -1.150 6.101 1.00 0.00 C ATOM 1043 CG LYS A 68 -8.005 -0.586 7.499 1.00 0.00 C ATOM 1044 CD LYS A 68 -6.593 -0.815 8.013 1.00 0.00 C ATOM 1045 CE LYS A 68 -5.641 0.266 7.527 1.00 0.00 C ATOM 1046 NZ LYS A 68 -4.250 0.038 8.009 1.00 0.00 N ATOM 0 H LYS A 68 -10.013 -2.710 6.651 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.997 -0.010 5.875 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.941 -2.212 6.112 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.481 -0.665 5.427 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.222 0.482 7.493 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.720 -1.052 8.177 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.600 -0.832 9.103 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.238 -1.790 7.681 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.648 0.293 6.437 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.990 1.239 7.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.632 0.796 7.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.239 0.038 9.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.907 -0.879 7.659 1.00 0.00 H new ATOM 1060 N ARG A 69 -9.797 -2.167 3.446 1.00 0.00 N ATOM 1061 CA ARG A 69 -9.795 -2.319 1.996 1.00 0.00 C ATOM 1062 C ARG A 69 -11.027 -1.661 1.379 1.00 0.00 C ATOM 1063 O ARG A 69 -10.911 -0.760 0.549 1.00 0.00 O ATOM 1064 CB ARG A 69 -9.751 -3.800 1.617 1.00 0.00 C ATOM 1065 CG ARG A 69 -9.460 -4.043 0.145 1.00 0.00 C ATOM 1066 CD ARG A 69 -9.424 -5.528 -0.178 1.00 0.00 C ATOM 1067 NE ARG A 69 -8.809 -5.792 -1.476 1.00 0.00 N ATOM 1068 CZ ARG A 69 -8.762 -6.995 -2.037 1.00 0.00 C ATOM 1069 NH1 ARG A 69 -9.291 -8.040 -1.416 1.00 0.00 N ATOM 1070 NH2 ARG A 69 -8.185 -7.155 -3.221 1.00 0.00 N ATOM 0 H ARG A 69 -9.982 -3.028 3.960 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.906 -1.825 1.605 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -8.988 -4.297 2.216 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -10.706 -4.260 1.871 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -10.222 -3.556 -0.463 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.504 -3.589 -0.118 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.870 -6.054 0.599 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.439 -5.925 -0.171 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.392 -5.009 -1.980 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.735 -7.921 -0.506 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.254 -8.963 -1.849 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.777 -6.353 -3.702 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.150 -8.080 -3.650 1.00 0.00 H new ATOM 1084 N SER A 70 -12.205 -2.120 1.791 1.00 0.00 N ATOM 1085 CA SER A 70 -13.457 -1.579 1.276 1.00 0.00 C ATOM 1086 C SER A 70 -13.632 -0.122 1.691 1.00 0.00 C ATOM 1087 O SER A 70 -14.005 0.727 0.880 1.00 0.00 O ATOM 1088 CB SER A 70 -14.640 -2.410 1.778 1.00 0.00 C ATOM 1089 OG SER A 70 -15.794 -2.185 0.986 1.00 0.00 O ATOM 0 H SER A 70 -12.318 -2.864 2.479 1.00 0.00 H new ATOM 0 HA SER A 70 -13.424 -1.626 0.188 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.380 -3.468 1.756 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.852 -2.156 2.816 1.00 0.00 H new ATOM 0 HG SER A 70 -16.535 -2.729 1.326 1.00 0.00 H new ATOM 1095 N LEU A 71 -13.360 0.162 2.960 1.00 0.00 N ATOM 1096 CA LEU A 71 -13.486 1.517 3.485 1.00 0.00 C ATOM 1097 C LEU A 71 -12.579 2.481 2.728 1.00 0.00 C ATOM 1098 O LEU A 71 -12.999 3.573 2.345 1.00 0.00 O ATOM 1099 CB LEU A 71 -13.145 1.541 4.976 1.00 0.00 C ATOM 1100 CG LEU A 71 -14.190 0.936 5.914 1.00 0.00 C ATOM 1101 CD1 LEU A 71 -13.524 0.358 7.154 1.00 0.00 C ATOM 1102 CD2 LEU A 71 -15.227 1.980 6.301 1.00 0.00 C ATOM 0 H LEU A 71 -13.051 -0.528 3.644 1.00 0.00 H new ATOM 0 HA LEU A 71 -14.519 1.838 3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.204 1.010 5.122 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.976 2.576 5.273 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.697 0.127 5.388 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -14.283 -0.068 7.810 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.820 -0.421 6.860 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.990 1.148 7.682 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -15.963 1.532 6.969 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -14.736 2.811 6.808 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -15.727 2.346 5.404 1.00 0.00 H new