USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=14 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 Set 1.1: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 57 SER OG : rot 80:sc= 0.653 USER MOD Single : A 10 ASN : amide:sc= -0.409 X(o=-0.41,f=-0.027) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0.971 USER MOD Single : A 18 GLN : amide:sc=-0.00408 X(o=-0.0041,f=-0.0041) 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 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -3.4! C(o=-3.4!,f=-9.3!) USER MOD Single : A 41 LYS NZ :NH3+ -176:sc= -0.0295 (180deg=-0.0568) USER MOD Single : A 42 ASN : amide:sc= 0.864 K(o=0.86,f=-0.072) USER MOD Single : A 45 ASN : amide:sc= -1.02 K(o=-1,f=-2.3) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -126:sc= -0.248 (180deg=-0.945) USER MOD Single : A 52 LYS NZ :NH3+ 164:sc= 0.592 (180deg=0.435) USER MOD Single : A 54 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0099) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.0973 USER MOD Single : A 64 SER OG : rot 138:sc= 0.28 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 88:sc= 0.22 USER MOD ----------------------------------------------------------------- ATOM 93 N ASN A 10 -0.784 4.778 -4.449 1.00 0.00 N ATOM 94 CA ASN A 10 -1.819 3.768 -4.632 1.00 0.00 C ATOM 95 C ASN A 10 -1.380 2.428 -4.049 1.00 0.00 C ATOM 96 O ASN A 10 -0.542 1.733 -4.625 1.00 0.00 O ATOM 97 CB ASN A 10 -2.148 3.608 -6.117 1.00 0.00 C ATOM 98 CG ASN A 10 -2.078 4.922 -6.870 1.00 0.00 C ATOM 99 OD1 ASN A 10 -3.100 5.562 -7.121 1.00 0.00 O ATOM 100 ND2 ASN A 10 -0.868 5.332 -7.233 1.00 0.00 N ATOM 0 HA ASN A 10 -2.713 4.099 -4.103 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.453 2.898 -6.566 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.147 3.185 -6.221 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -0.758 6.210 -7.741 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -0.049 4.769 -7.004 1.00 0.00 H new ATOM 107 N TYR A 11 -1.952 2.071 -2.905 1.00 0.00 N ATOM 108 CA TYR A 11 -1.618 0.815 -2.243 1.00 0.00 C ATOM 109 C TYR A 11 -1.509 -0.322 -3.255 1.00 0.00 C ATOM 110 O TYR A 11 -0.483 -0.997 -3.339 1.00 0.00 O ATOM 111 CB TYR A 11 -2.673 0.474 -1.188 1.00 0.00 C ATOM 112 CG TYR A 11 -2.781 1.504 -0.086 1.00 0.00 C ATOM 113 CD1 TYR A 11 -1.653 1.945 0.593 1.00 0.00 C ATOM 114 CD2 TYR A 11 -4.013 2.036 0.274 1.00 0.00 C ATOM 115 CE1 TYR A 11 -1.748 2.885 1.601 1.00 0.00 C ATOM 116 CE2 TYR A 11 -4.118 2.978 1.280 1.00 0.00 C ATOM 117 CZ TYR A 11 -2.982 3.398 1.941 1.00 0.00 C ATOM 118 OH TYR A 11 -3.081 4.336 2.943 1.00 0.00 O ATOM 0 H TYR A 11 -2.649 2.633 -2.416 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.651 0.937 -1.755 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -3.643 0.372 -1.675 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -2.435 -0.494 -0.747 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.685 1.546 0.329 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -4.904 1.708 -0.241 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.861 3.216 2.120 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -5.083 3.383 1.547 1.00 0.00 H new ATOM 0 HH TYR A 11 -4.019 4.595 3.057 1.00 0.00 H new ATOM 128 N TYR A 12 -2.575 -0.527 -4.021 1.00 0.00 N ATOM 129 CA TYR A 12 -2.601 -1.582 -5.027 1.00 0.00 C ATOM 130 C TYR A 12 -1.339 -1.551 -5.883 1.00 0.00 C ATOM 131 O TYR A 12 -0.763 -2.592 -6.197 1.00 0.00 O ATOM 132 CB TYR A 12 -3.837 -1.438 -5.916 1.00 0.00 C ATOM 133 CG TYR A 12 -5.109 -1.943 -5.272 1.00 0.00 C ATOM 134 CD1 TYR A 12 -5.389 -3.303 -5.215 1.00 0.00 C ATOM 135 CD2 TYR A 12 -6.030 -1.061 -4.720 1.00 0.00 C ATOM 136 CE1 TYR A 12 -6.549 -3.769 -4.628 1.00 0.00 C ATOM 137 CE2 TYR A 12 -7.192 -1.518 -4.130 1.00 0.00 C ATOM 138 CZ TYR A 12 -7.447 -2.873 -4.087 1.00 0.00 C ATOM 139 OH TYR A 12 -8.605 -3.333 -3.501 1.00 0.00 O ATOM 0 H TYR A 12 -3.432 0.023 -3.964 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.643 -2.540 -4.509 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -3.965 -0.388 -6.179 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.670 -1.981 -6.846 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.688 -4.008 -5.637 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -5.834 0.000 -4.753 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.752 -4.829 -4.593 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -7.897 -0.819 -3.705 1.00 0.00 H new ATOM 0 HH TYR A 12 -9.127 -2.573 -3.169 1.00 0.00 H new ATOM 149 N GLU A 13 -0.915 -0.347 -6.257 1.00 0.00 N ATOM 150 CA GLU A 13 0.279 -0.179 -7.077 1.00 0.00 C ATOM 151 C GLU A 13 1.531 -0.586 -6.305 1.00 0.00 C ATOM 152 O GLU A 13 2.307 -1.427 -6.758 1.00 0.00 O ATOM 153 CB GLU A 13 0.403 1.273 -7.544 1.00 0.00 C ATOM 154 CG GLU A 13 -0.633 1.669 -8.582 1.00 0.00 C ATOM 155 CD GLU A 13 -0.209 1.317 -9.995 1.00 0.00 C ATOM 156 OE1 GLU A 13 1.005 1.138 -10.223 1.00 0.00 O ATOM 157 OE2 GLU A 13 -1.093 1.219 -10.872 1.00 0.00 O ATOM 0 H GLU A 13 -1.380 0.525 -6.005 1.00 0.00 H new ATOM 0 HA GLU A 13 0.185 -0.827 -7.949 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.311 1.932 -6.681 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.399 1.429 -7.959 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.577 1.172 -8.356 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.814 2.742 -8.518 1.00 0.00 H new ATOM 164 N VAL A 14 1.721 0.019 -5.137 1.00 0.00 N ATOM 165 CA VAL A 14 2.878 -0.279 -4.301 1.00 0.00 C ATOM 166 C VAL A 14 3.145 -1.779 -4.247 1.00 0.00 C ATOM 167 O VAL A 14 4.265 -2.230 -4.488 1.00 0.00 O ATOM 168 CB VAL A 14 2.685 0.249 -2.867 1.00 0.00 C ATOM 169 CG1 VAL A 14 3.874 -0.126 -1.995 1.00 0.00 C ATOM 170 CG2 VAL A 14 2.476 1.756 -2.878 1.00 0.00 C ATOM 0 H VAL A 14 1.089 0.718 -4.748 1.00 0.00 H new ATOM 0 HA VAL A 14 3.733 0.223 -4.753 1.00 0.00 H new ATOM 0 HB VAL A 14 1.794 -0.216 -2.444 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.720 0.256 -0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.973 -1.211 -1.962 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.782 0.308 -2.412 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.341 2.112 -1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.347 2.241 -3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.590 1.996 -3.466 1.00 0.00 H new ATOM 180 N LEU A 15 2.109 -2.547 -3.929 1.00 0.00 N ATOM 181 CA LEU A 15 2.230 -3.999 -3.844 1.00 0.00 C ATOM 182 C LEU A 15 2.322 -4.620 -5.234 1.00 0.00 C ATOM 183 O LEU A 15 3.096 -5.548 -5.460 1.00 0.00 O ATOM 184 CB LEU A 15 1.037 -4.586 -3.088 1.00 0.00 C ATOM 185 CG LEU A 15 1.002 -4.324 -1.582 1.00 0.00 C ATOM 186 CD1 LEU A 15 -0.433 -4.276 -1.081 1.00 0.00 C ATOM 187 CD2 LEU A 15 1.793 -5.390 -0.837 1.00 0.00 C ATOM 0 H LEU A 15 1.176 -2.189 -3.726 1.00 0.00 H new ATOM 0 HA LEU A 15 3.146 -4.232 -3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.122 -4.188 -3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.025 -5.664 -3.249 1.00 0.00 H new ATOM 0 HG LEU A 15 1.464 -3.356 -1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.437 -4.089 -0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.970 -3.476 -1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.922 -5.229 -1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.757 -5.188 0.233 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.360 -6.370 -1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.829 -5.376 -1.174 1.00 0.00 H new ATOM 199 N GLY A 16 1.526 -4.099 -6.163 1.00 0.00 N ATOM 200 CA GLY A 16 1.534 -4.614 -7.520 1.00 0.00 C ATOM 201 C GLY A 16 0.383 -5.563 -7.787 1.00 0.00 C ATOM 202 O GLY A 16 0.530 -6.538 -8.524 1.00 0.00 O ATOM 0 H GLY A 16 0.876 -3.330 -6.000 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.484 -3.781 -8.222 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.476 -5.130 -7.704 1.00 0.00 H new ATOM 206 N VAL A 17 -0.768 -5.279 -7.186 1.00 0.00 N ATOM 207 CA VAL A 17 -1.950 -6.114 -7.362 1.00 0.00 C ATOM 208 C VAL A 17 -3.190 -5.266 -7.620 1.00 0.00 C ATOM 209 O VAL A 17 -3.177 -4.053 -7.412 1.00 0.00 O ATOM 210 CB VAL A 17 -2.197 -7.004 -6.129 1.00 0.00 C ATOM 211 CG1 VAL A 17 -0.988 -7.885 -5.854 1.00 0.00 C ATOM 212 CG2 VAL A 17 -2.532 -6.150 -4.915 1.00 0.00 C ATOM 0 H VAL A 17 -0.907 -4.476 -6.572 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.762 -6.749 -8.228 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.048 -7.652 -6.336 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.182 -8.506 -4.980 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.799 -8.523 -6.717 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.116 -7.258 -5.668 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.704 -6.795 -4.053 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.702 -5.476 -4.704 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.431 -5.567 -5.117 1.00 0.00 H new ATOM 222 N GLN A 18 -4.259 -5.912 -8.074 1.00 0.00 N ATOM 223 CA GLN A 18 -5.508 -5.216 -8.360 1.00 0.00 C ATOM 224 C GLN A 18 -6.631 -5.720 -7.460 1.00 0.00 C ATOM 225 O GLN A 18 -6.549 -6.814 -6.902 1.00 0.00 O ATOM 226 CB GLN A 18 -5.893 -5.401 -9.829 1.00 0.00 C ATOM 227 CG GLN A 18 -4.993 -4.647 -10.794 1.00 0.00 C ATOM 228 CD GLN A 18 -5.296 -3.163 -10.838 1.00 0.00 C ATOM 229 OE1 GLN A 18 -6.358 -2.748 -11.304 1.00 0.00 O ATOM 230 NE2 GLN A 18 -4.363 -2.353 -10.350 1.00 0.00 N ATOM 0 H GLN A 18 -4.285 -6.916 -8.252 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.358 -4.155 -8.161 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.864 -6.463 -10.073 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.922 -5.070 -9.971 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.953 -4.793 -10.503 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -5.107 -5.067 -11.794 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.498 -2.740 -9.974 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.512 -1.344 -10.352 1.00 0.00 H new ATOM 239 N ALA A 19 -7.679 -4.914 -7.323 1.00 0.00 N ATOM 240 CA ALA A 19 -8.819 -5.279 -6.492 1.00 0.00 C ATOM 241 C ALA A 19 -9.322 -6.678 -6.833 1.00 0.00 C ATOM 242 O ALA A 19 -9.700 -7.445 -5.948 1.00 0.00 O ATOM 243 CB ALA A 19 -9.937 -4.260 -6.653 1.00 0.00 C ATOM 0 H ALA A 19 -7.762 -4.004 -7.777 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.493 -5.283 -5.452 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.782 -4.545 -6.027 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.578 -3.276 -6.352 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.253 -4.228 -7.696 1.00 0.00 H new ATOM 249 N SER A 20 -9.325 -7.002 -8.122 1.00 0.00 N ATOM 250 CA SER A 20 -9.787 -8.307 -8.581 1.00 0.00 C ATOM 251 C SER A 20 -8.983 -9.428 -7.927 1.00 0.00 C ATOM 252 O SER A 20 -9.465 -10.552 -7.788 1.00 0.00 O ATOM 253 CB SER A 20 -9.675 -8.405 -10.103 1.00 0.00 C ATOM 254 OG SER A 20 -10.500 -9.439 -10.610 1.00 0.00 O ATOM 0 H SER A 20 -9.013 -6.379 -8.867 1.00 0.00 H new ATOM 0 HA SER A 20 -10.833 -8.417 -8.293 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.960 -7.454 -10.554 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.638 -8.592 -10.383 1.00 0.00 H new ATOM 0 HG SER A 20 -10.411 -9.480 -11.585 1.00 0.00 H new ATOM 260 N ALA A 21 -7.755 -9.112 -7.529 1.00 0.00 N ATOM 261 CA ALA A 21 -6.885 -10.091 -6.888 1.00 0.00 C ATOM 262 C ALA A 21 -7.510 -10.623 -5.603 1.00 0.00 C ATOM 263 O ALA A 21 -8.378 -9.981 -5.012 1.00 0.00 O ATOM 264 CB ALA A 21 -5.523 -9.477 -6.600 1.00 0.00 C ATOM 0 H ALA A 21 -7.340 -8.187 -7.639 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.756 -10.930 -7.572 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.883 -10.219 -6.121 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.065 -9.152 -7.534 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.643 -8.620 -5.937 1.00 0.00 H new ATOM 270 N SER A 22 -7.063 -11.800 -5.177 1.00 0.00 N ATOM 271 CA SER A 22 -7.582 -12.421 -3.964 1.00 0.00 C ATOM 272 C SER A 22 -6.763 -12.003 -2.746 1.00 0.00 C ATOM 273 O SER A 22 -5.642 -11.507 -2.861 1.00 0.00 O ATOM 274 CB SER A 22 -7.572 -13.945 -4.101 1.00 0.00 C ATOM 275 OG SER A 22 -8.813 -14.421 -4.591 1.00 0.00 O ATOM 0 H SER A 22 -6.343 -12.343 -5.654 1.00 0.00 H new ATOM 0 HA SER A 22 -8.609 -12.083 -3.823 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.771 -14.247 -4.776 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.362 -14.399 -3.133 1.00 0.00 H new ATOM 0 HG SER A 22 -8.780 -15.397 -4.671 1.00 0.00 H new ATOM 281 N PRO A 23 -7.336 -12.207 -1.551 1.00 0.00 N ATOM 282 CA PRO A 23 -6.678 -11.859 -0.288 1.00 0.00 C ATOM 283 C PRO A 23 -5.490 -12.766 0.016 1.00 0.00 C ATOM 284 O PRO A 23 -4.791 -12.575 1.010 1.00 0.00 O ATOM 285 CB PRO A 23 -7.782 -12.056 0.754 1.00 0.00 C ATOM 286 CG PRO A 23 -8.707 -13.050 0.142 1.00 0.00 C ATOM 287 CD PRO A 23 -8.670 -12.794 -1.339 1.00 0.00 C ATOM 0 HA PRO A 23 -6.267 -10.850 -0.307 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.376 -12.422 1.697 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.295 -11.119 0.970 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -8.392 -14.068 0.370 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -9.718 -12.934 0.533 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -8.799 -13.714 -1.909 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.463 -12.113 -1.649 1.00 0.00 H new ATOM 295 N GLU A 24 -5.270 -13.753 -0.847 1.00 0.00 N ATOM 296 CA GLU A 24 -4.166 -14.690 -0.668 1.00 0.00 C ATOM 297 C GLU A 24 -2.937 -14.238 -1.452 1.00 0.00 C ATOM 298 O GLU A 24 -1.807 -14.357 -0.978 1.00 0.00 O ATOM 299 CB GLU A 24 -4.582 -16.093 -1.115 1.00 0.00 C ATOM 300 CG GLU A 24 -5.484 -16.806 -0.121 1.00 0.00 C ATOM 301 CD GLU A 24 -5.865 -18.201 -0.575 1.00 0.00 C ATOM 302 OE1 GLU A 24 -5.097 -19.146 -0.296 1.00 0.00 O ATOM 303 OE2 GLU A 24 -6.931 -18.348 -1.208 1.00 0.00 O ATOM 0 H GLU A 24 -5.840 -13.925 -1.675 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.911 -14.714 0.392 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.096 -16.022 -2.074 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.687 -16.694 -1.277 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.979 -16.867 0.843 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.389 -16.217 0.030 1.00 0.00 H new ATOM 310 N ASP A 25 -3.167 -13.721 -2.654 1.00 0.00 N ATOM 311 CA ASP A 25 -2.079 -13.251 -3.504 1.00 0.00 C ATOM 312 C ASP A 25 -1.410 -12.021 -2.900 1.00 0.00 C ATOM 313 O ASP A 25 -0.186 -11.887 -2.937 1.00 0.00 O ATOM 314 CB ASP A 25 -2.602 -12.926 -4.905 1.00 0.00 C ATOM 315 CG ASP A 25 -2.603 -14.136 -5.818 1.00 0.00 C ATOM 316 OD1 ASP A 25 -1.505 -14.630 -6.148 1.00 0.00 O ATOM 317 OD2 ASP A 25 -3.702 -14.590 -6.202 1.00 0.00 O ATOM 0 H ASP A 25 -4.096 -13.617 -3.062 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.338 -14.047 -3.576 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.615 -12.531 -4.829 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.987 -12.142 -5.346 1.00 0.00 H new ATOM 322 N ILE A 26 -2.219 -11.125 -2.346 1.00 0.00 N ATOM 323 CA ILE A 26 -1.705 -9.906 -1.734 1.00 0.00 C ATOM 324 C ILE A 26 -0.846 -10.223 -0.514 1.00 0.00 C ATOM 325 O ILE A 26 0.137 -9.536 -0.238 1.00 0.00 O ATOM 326 CB ILE A 26 -2.847 -8.962 -1.312 1.00 0.00 C ATOM 327 CG1 ILE A 26 -3.674 -8.552 -2.532 1.00 0.00 C ATOM 328 CG2 ILE A 26 -2.287 -7.736 -0.608 1.00 0.00 C ATOM 329 CD1 ILE A 26 -5.098 -8.169 -2.194 1.00 0.00 C ATOM 0 H ILE A 26 -3.234 -11.220 -2.308 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.094 -9.409 -2.487 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.498 -9.490 -0.616 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.187 -7.711 -3.025 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.687 -9.376 -3.246 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.106 -7.078 -0.316 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.736 -8.046 0.280 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.617 -7.203 -1.283 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.626 -7.890 -3.106 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.602 -9.016 -1.728 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.094 -7.325 -1.504 1.00 0.00 H new ATOM 341 N LYS A 27 -1.223 -11.270 0.212 1.00 0.00 N ATOM 342 CA LYS A 27 -0.487 -11.683 1.401 1.00 0.00 C ATOM 343 C LYS A 27 0.878 -12.249 1.026 1.00 0.00 C ATOM 344 O LYS A 27 1.905 -11.827 1.558 1.00 0.00 O ATOM 345 CB LYS A 27 -1.287 -12.726 2.184 1.00 0.00 C ATOM 346 CG LYS A 27 -0.531 -13.311 3.365 1.00 0.00 C ATOM 347 CD LYS A 27 -1.284 -14.473 3.989 1.00 0.00 C ATOM 348 CE LYS A 27 -1.096 -15.753 3.189 1.00 0.00 C ATOM 349 NZ LYS A 27 -1.816 -16.903 3.803 1.00 0.00 N ATOM 0 H LYS A 27 -2.035 -11.849 -0.003 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.336 -10.805 2.028 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.209 -12.270 2.544 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.573 -13.534 1.510 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.453 -13.648 3.038 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.370 -12.536 4.115 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.936 -14.627 5.011 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.345 -14.231 4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.456 -15.601 2.171 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.033 -15.985 3.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.663 -17.756 3.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.455 -17.065 4.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.834 -16.693 3.846 1.00 0.00 H new ATOM 363 N LYS A 28 0.884 -13.208 0.105 1.00 0.00 N ATOM 364 CA LYS A 28 2.123 -13.831 -0.344 1.00 0.00 C ATOM 365 C LYS A 28 3.007 -12.822 -1.070 1.00 0.00 C ATOM 366 O LYS A 28 4.228 -12.830 -0.917 1.00 0.00 O ATOM 367 CB LYS A 28 1.818 -15.014 -1.265 1.00 0.00 C ATOM 368 CG LYS A 28 1.134 -14.616 -2.561 1.00 0.00 C ATOM 369 CD LYS A 28 0.575 -15.825 -3.291 1.00 0.00 C ATOM 370 CE LYS A 28 1.684 -16.689 -3.871 1.00 0.00 C ATOM 371 NZ LYS A 28 2.083 -16.238 -5.233 1.00 0.00 N ATOM 0 H LYS A 28 0.043 -13.570 -0.345 1.00 0.00 H new ATOM 0 HA LYS A 28 2.659 -14.191 0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.749 -15.531 -1.499 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.185 -15.724 -0.733 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.328 -13.914 -2.347 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.845 -14.098 -3.205 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.029 -16.419 -2.604 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.086 -15.494 -4.092 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.550 -16.660 -3.210 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.351 -17.726 -3.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.841 -16.852 -5.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.263 -16.290 -5.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.425 -15.257 -5.188 1.00 0.00 H new ATOM 385 N ALA A 29 2.383 -11.955 -1.859 1.00 0.00 N ATOM 386 CA ALA A 29 3.113 -10.938 -2.606 1.00 0.00 C ATOM 387 C ALA A 29 3.856 -9.995 -1.666 1.00 0.00 C ATOM 388 O ALA A 29 4.984 -9.586 -1.945 1.00 0.00 O ATOM 389 CB ALA A 29 2.162 -10.155 -3.499 1.00 0.00 C ATOM 0 H ALA A 29 1.373 -11.936 -1.998 1.00 0.00 H new ATOM 0 HA ALA A 29 3.850 -11.441 -3.232 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.721 -9.399 -4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.680 -10.835 -4.201 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.403 -9.669 -2.885 1.00 0.00 H new ATOM 395 N TYR A 30 3.218 -9.653 -0.552 1.00 0.00 N ATOM 396 CA TYR A 30 3.819 -8.755 0.427 1.00 0.00 C ATOM 397 C TYR A 30 5.122 -9.334 0.970 1.00 0.00 C ATOM 398 O TYR A 30 6.194 -8.759 0.784 1.00 0.00 O ATOM 399 CB TYR A 30 2.844 -8.497 1.578 1.00 0.00 C ATOM 400 CG TYR A 30 3.525 -8.139 2.879 1.00 0.00 C ATOM 401 CD1 TYR A 30 4.035 -6.864 3.093 1.00 0.00 C ATOM 402 CD2 TYR A 30 3.659 -9.076 3.897 1.00 0.00 C ATOM 403 CE1 TYR A 30 4.659 -6.533 4.280 1.00 0.00 C ATOM 404 CE2 TYR A 30 4.280 -8.754 5.088 1.00 0.00 C ATOM 405 CZ TYR A 30 4.778 -7.481 5.275 1.00 0.00 C ATOM 406 OH TYR A 30 5.398 -7.156 6.459 1.00 0.00 O ATOM 0 H TYR A 30 2.285 -9.984 -0.305 1.00 0.00 H new ATOM 0 HA TYR A 30 4.042 -7.811 -0.071 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.169 -7.689 1.297 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.232 -9.386 1.731 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.942 -6.119 2.317 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.271 -10.074 3.754 1.00 0.00 H new ATOM 0 HE1 TYR A 30 5.051 -5.538 4.428 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.375 -9.494 5.868 1.00 0.00 H new ATOM 0 HH TYR A 30 5.398 -7.935 7.053 1.00 0.00 H new ATOM 416 N ARG A 31 5.020 -10.476 1.642 1.00 0.00 N ATOM 417 CA ARG A 31 6.189 -11.133 2.213 1.00 0.00 C ATOM 418 C ARG A 31 7.408 -10.953 1.312 1.00 0.00 C ATOM 419 O ARG A 31 8.446 -10.453 1.746 1.00 0.00 O ATOM 420 CB ARG A 31 5.912 -12.623 2.422 1.00 0.00 C ATOM 421 CG ARG A 31 4.830 -12.902 3.453 1.00 0.00 C ATOM 422 CD ARG A 31 5.046 -14.243 4.137 1.00 0.00 C ATOM 423 NE ARG A 31 5.951 -14.135 5.278 1.00 0.00 N ATOM 424 CZ ARG A 31 5.954 -14.988 6.297 1.00 0.00 C ATOM 425 NH1 ARG A 31 5.105 -16.006 6.316 1.00 0.00 N ATOM 426 NH2 ARG A 31 6.808 -14.824 7.299 1.00 0.00 N ATOM 0 H ARG A 31 4.140 -10.965 1.804 1.00 0.00 H new ATOM 0 HA ARG A 31 6.400 -10.671 3.177 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.619 -13.066 1.470 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.834 -13.115 2.732 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.824 -12.108 4.200 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.853 -12.892 2.969 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.087 -14.638 4.471 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.452 -14.955 3.419 1.00 0.00 H new ATOM 0 HE ARG A 31 6.617 -13.363 5.294 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.447 -16.136 5.547 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.109 -16.659 7.099 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.463 -14.042 7.288 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.809 -15.479 8.081 1.00 0.00 H new ATOM 440 N LYS A 32 7.275 -11.365 0.056 1.00 0.00 N ATOM 441 CA LYS A 32 8.363 -11.249 -0.907 1.00 0.00 C ATOM 442 C LYS A 32 8.750 -9.789 -1.119 1.00 0.00 C ATOM 443 O LYS A 32 9.932 -9.445 -1.135 1.00 0.00 O ATOM 444 CB LYS A 32 7.960 -11.879 -2.242 1.00 0.00 C ATOM 445 CG LYS A 32 8.128 -13.388 -2.277 1.00 0.00 C ATOM 446 CD LYS A 32 6.937 -14.097 -1.653 1.00 0.00 C ATOM 447 CE LYS A 32 7.228 -15.570 -1.413 1.00 0.00 C ATOM 448 NZ LYS A 32 6.338 -16.148 -0.369 1.00 0.00 N ATOM 0 H LYS A 32 6.423 -11.783 -0.319 1.00 0.00 H new ATOM 0 HA LYS A 32 9.226 -11.781 -0.507 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.919 -11.633 -2.451 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.558 -11.437 -3.038 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.249 -13.718 -3.309 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.038 -13.666 -1.745 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.681 -13.617 -0.708 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.070 -13.998 -2.306 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.101 -16.122 -2.344 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.268 -15.690 -1.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.568 -17.153 -0.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.477 -15.638 0.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.346 -16.057 -0.669 1.00 0.00 H new ATOM 462 N LEU A 33 7.746 -8.933 -1.279 1.00 0.00 N ATOM 463 CA LEU A 33 7.981 -7.509 -1.488 1.00 0.00 C ATOM 464 C LEU A 33 8.896 -6.943 -0.407 1.00 0.00 C ATOM 465 O LEU A 33 9.921 -6.331 -0.705 1.00 0.00 O ATOM 466 CB LEU A 33 6.653 -6.749 -1.496 1.00 0.00 C ATOM 467 CG LEU A 33 5.841 -6.831 -2.789 1.00 0.00 C ATOM 468 CD1 LEU A 33 4.440 -6.278 -2.576 1.00 0.00 C ATOM 469 CD2 LEU A 33 6.547 -6.082 -3.910 1.00 0.00 C ATOM 0 H LEU A 33 6.762 -9.201 -1.268 1.00 0.00 H new ATOM 0 HA LEU A 33 8.470 -7.385 -2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.037 -7.125 -0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.857 -5.699 -1.284 1.00 0.00 H new ATOM 0 HG LEU A 33 5.756 -7.879 -3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.877 -6.345 -3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.934 -6.857 -1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.504 -5.235 -2.265 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.955 -6.151 -4.823 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.663 -5.035 -3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.529 -6.523 -4.080 1.00 0.00 H new ATOM 481 N ALA A 34 8.520 -7.155 0.850 1.00 0.00 N ATOM 482 CA ALA A 34 9.310 -6.670 1.976 1.00 0.00 C ATOM 483 C ALA A 34 10.799 -6.902 1.742 1.00 0.00 C ATOM 484 O ALA A 34 11.614 -5.997 1.921 1.00 0.00 O ATOM 485 CB ALA A 34 8.864 -7.347 3.263 1.00 0.00 C ATOM 0 H ALA A 34 7.674 -7.659 1.114 1.00 0.00 H new ATOM 0 HA ALA A 34 9.147 -5.596 2.068 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.462 -6.976 4.095 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.812 -7.126 3.445 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.998 -8.425 3.172 1.00 0.00 H new ATOM 491 N LEU A 35 11.147 -8.120 1.342 1.00 0.00 N ATOM 492 CA LEU A 35 12.539 -8.472 1.085 1.00 0.00 C ATOM 493 C LEU A 35 13.070 -7.734 -0.140 1.00 0.00 C ATOM 494 O LEU A 35 14.221 -7.298 -0.163 1.00 0.00 O ATOM 495 CB LEU A 35 12.675 -9.982 0.883 1.00 0.00 C ATOM 496 CG LEU A 35 12.856 -10.816 2.152 1.00 0.00 C ATOM 497 CD1 LEU A 35 12.744 -12.299 1.836 1.00 0.00 C ATOM 498 CD2 LEU A 35 14.195 -10.507 2.806 1.00 0.00 C ATOM 0 H LEU A 35 10.485 -8.880 1.189 1.00 0.00 H new ATOM 0 HA LEU A 35 13.129 -8.173 1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.788 -10.340 0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.526 -10.165 0.227 1.00 0.00 H new ATOM 0 HG LEU A 35 12.063 -10.554 2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.875 -12.877 2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.761 -12.508 1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.515 -12.577 1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 35 14.307 -11.109 3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.002 -10.740 2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.236 -9.450 3.068 1.00 0.00 H new ATOM 510 N ARG A 36 12.222 -7.595 -1.154 1.00 0.00 N ATOM 511 CA ARG A 36 12.606 -6.908 -2.381 1.00 0.00 C ATOM 512 C ARG A 36 12.998 -5.462 -2.095 1.00 0.00 C ATOM 513 O ARG A 36 14.091 -5.022 -2.454 1.00 0.00 O ATOM 514 CB ARG A 36 11.458 -6.946 -3.392 1.00 0.00 C ATOM 515 CG ARG A 36 11.711 -6.106 -4.633 1.00 0.00 C ATOM 516 CD ARG A 36 11.021 -6.694 -5.854 1.00 0.00 C ATOM 517 NE ARG A 36 11.158 -5.835 -7.027 1.00 0.00 N ATOM 518 CZ ARG A 36 10.348 -4.816 -7.291 1.00 0.00 C ATOM 519 NH1 ARG A 36 9.347 -4.531 -6.470 1.00 0.00 N ATOM 520 NH2 ARG A 36 10.538 -4.081 -8.379 1.00 0.00 N ATOM 0 H ARG A 36 11.265 -7.949 -1.150 1.00 0.00 H new ATOM 0 HA ARG A 36 13.469 -7.424 -2.801 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.284 -7.979 -3.692 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.546 -6.597 -2.907 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.353 -5.090 -4.465 1.00 0.00 H new ATOM 0 HG3 ARG A 36 12.783 -6.040 -4.816 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.443 -7.675 -6.072 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.964 -6.844 -5.636 1.00 0.00 H new ATOM 0 HE ARG A 36 11.918 -6.028 -7.680 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.197 -5.095 -5.633 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.726 -3.748 -6.675 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.307 -4.298 -9.013 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.916 -3.299 -8.581 1.00 0.00 H new ATOM 534 N TRP A 37 12.101 -4.728 -1.447 1.00 0.00 N ATOM 535 CA TRP A 37 12.353 -3.331 -1.114 1.00 0.00 C ATOM 536 C TRP A 37 13.172 -3.216 0.167 1.00 0.00 C ATOM 537 O TRP A 37 13.267 -2.142 0.761 1.00 0.00 O ATOM 538 CB TRP A 37 11.032 -2.575 -0.958 1.00 0.00 C ATOM 539 CG TRP A 37 10.463 -2.100 -2.260 1.00 0.00 C ATOM 540 CD1 TRP A 37 9.370 -2.600 -2.908 1.00 0.00 C ATOM 541 CD2 TRP A 37 10.960 -1.031 -3.073 1.00 0.00 C ATOM 542 NE1 TRP A 37 9.157 -1.906 -4.075 1.00 0.00 N ATOM 543 CE2 TRP A 37 10.118 -0.938 -4.199 1.00 0.00 C ATOM 544 CE3 TRP A 37 12.032 -0.143 -2.959 1.00 0.00 C ATOM 545 CZ2 TRP A 37 10.318 0.007 -5.202 1.00 0.00 C ATOM 546 CZ3 TRP A 37 12.230 0.795 -3.956 1.00 0.00 C ATOM 547 CH2 TRP A 37 11.376 0.864 -5.064 1.00 0.00 C ATOM 0 H TRP A 37 11.193 -5.077 -1.142 1.00 0.00 H new ATOM 0 HA TRP A 37 12.923 -2.887 -1.930 1.00 0.00 H new ATOM 0 HB2 TRP A 37 10.306 -3.224 -0.467 1.00 0.00 H new ATOM 0 HB3 TRP A 37 11.187 -1.718 -0.303 1.00 0.00 H new ATOM 0 HD1 TRP A 37 8.762 -3.420 -2.555 1.00 0.00 H new ATOM 0 HE1 TRP A 37 8.405 -2.083 -4.741 1.00 0.00 H new ATOM 0 HE3 TRP A 37 12.695 -0.188 -2.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 9.662 0.062 -6.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 13.057 1.486 -3.879 1.00 0.00 H new ATOM 0 HH2 TRP A 37 11.556 1.609 -5.825 1.00 0.00 H new ATOM 558 N HIS A 38 13.763 -4.330 0.588 1.00 0.00 N ATOM 559 CA HIS A 38 14.575 -4.354 1.800 1.00 0.00 C ATOM 560 C HIS A 38 15.839 -3.517 1.623 1.00 0.00 C ATOM 561 O HIS A 38 16.488 -3.543 0.577 1.00 0.00 O ATOM 562 CB HIS A 38 14.948 -5.792 2.161 1.00 0.00 C ATOM 563 CG HIS A 38 15.212 -5.994 3.621 1.00 0.00 C ATOM 564 ND1 HIS A 38 16.407 -5.659 4.223 1.00 0.00 N ATOM 565 CD2 HIS A 38 14.427 -6.498 4.601 1.00 0.00 C ATOM 566 CE1 HIS A 38 16.345 -5.950 5.510 1.00 0.00 C ATOM 567 NE2 HIS A 38 15.154 -6.460 5.766 1.00 0.00 N ATOM 0 H HIS A 38 13.695 -5.227 0.108 1.00 0.00 H new ATOM 0 HA HIS A 38 13.986 -3.925 2.611 1.00 0.00 H new ATOM 0 HB2 HIS A 38 14.142 -6.457 1.851 1.00 0.00 H new ATOM 0 HB3 HIS A 38 15.834 -6.081 1.597 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.417 -6.862 4.488 1.00 0.00 H new ATOM 0 HE1 HIS A 38 17.135 -5.797 6.231 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.827 -6.774 6.680 1.00 0.00 H new ATOM 575 N PRO A 39 16.197 -2.757 2.668 1.00 0.00 N ATOM 576 CA PRO A 39 17.384 -1.898 2.652 1.00 0.00 C ATOM 577 C PRO A 39 18.681 -2.701 2.668 1.00 0.00 C ATOM 578 O PRO A 39 19.644 -2.356 1.982 1.00 0.00 O ATOM 579 CB PRO A 39 17.247 -1.079 3.938 1.00 0.00 C ATOM 580 CG PRO A 39 16.417 -1.926 4.840 1.00 0.00 C ATOM 581 CD PRO A 39 15.469 -2.677 3.946 1.00 0.00 C ATOM 0 HA PRO A 39 17.436 -1.292 1.748 1.00 0.00 H new ATOM 0 HB2 PRO A 39 18.221 -0.868 4.379 1.00 0.00 H new ATOM 0 HB3 PRO A 39 16.769 -0.118 3.746 1.00 0.00 H new ATOM 0 HG2 PRO A 39 17.040 -2.613 5.413 1.00 0.00 H new ATOM 0 HG3 PRO A 39 15.873 -1.314 5.559 1.00 0.00 H new ATOM 0 HD2 PRO A 39 15.242 -3.667 4.342 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.520 -2.153 3.836 1.00 0.00 H new ATOM 589 N ASP A 40 18.698 -3.772 3.453 1.00 0.00 N ATOM 590 CA ASP A 40 19.876 -4.625 3.556 1.00 0.00 C ATOM 591 C ASP A 40 20.191 -5.282 2.216 1.00 0.00 C ATOM 592 O ASP A 40 21.355 -5.469 1.862 1.00 0.00 O ATOM 593 CB ASP A 40 19.663 -5.698 4.626 1.00 0.00 C ATOM 594 CG ASP A 40 20.796 -6.704 4.670 1.00 0.00 C ATOM 595 OD1 ASP A 40 20.892 -7.532 3.740 1.00 0.00 O ATOM 596 OD2 ASP A 40 21.587 -6.664 5.635 1.00 0.00 O ATOM 0 H ASP A 40 17.910 -4.070 4.027 1.00 0.00 H new ATOM 0 HA ASP A 40 20.722 -4.000 3.842 1.00 0.00 H new ATOM 0 HB2 ASP A 40 19.567 -5.221 5.601 1.00 0.00 H new ATOM 0 HB3 ASP A 40 18.725 -6.219 4.432 1.00 0.00 H new ATOM 601 N LYS A 41 19.146 -5.631 1.474 1.00 0.00 N ATOM 602 CA LYS A 41 19.309 -6.266 0.171 1.00 0.00 C ATOM 603 C LYS A 41 19.790 -5.259 -0.869 1.00 0.00 C ATOM 604 O LYS A 41 20.349 -5.636 -1.898 1.00 0.00 O ATOM 605 CB LYS A 41 17.989 -6.893 -0.282 1.00 0.00 C ATOM 606 CG LYS A 41 17.607 -8.138 0.499 1.00 0.00 C ATOM 607 CD LYS A 41 18.501 -9.315 0.145 1.00 0.00 C ATOM 608 CE LYS A 41 18.093 -10.572 0.898 1.00 0.00 C ATOM 609 NZ LYS A 41 16.892 -11.213 0.297 1.00 0.00 N ATOM 0 H LYS A 41 18.176 -5.485 1.753 1.00 0.00 H new ATOM 0 HA LYS A 41 20.061 -7.049 0.268 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.193 -6.155 -0.184 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.061 -7.146 -1.340 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.678 -7.934 1.567 1.00 0.00 H new ATOM 0 HG3 LYS A 41 16.568 -8.394 0.292 1.00 0.00 H new ATOM 0 HD2 LYS A 41 18.452 -9.500 -0.928 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.537 -9.070 0.379 1.00 0.00 H new ATOM 0 HE2 LYS A 41 18.921 -11.281 0.898 1.00 0.00 H new ATOM 0 HE3 LYS A 41 17.888 -10.321 1.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 16.606 -12.027 0.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 16.114 -10.524 0.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 17.116 -11.536 -0.666 1.00 0.00 H new ATOM 623 N ASN A 42 19.569 -3.978 -0.592 1.00 0.00 N ATOM 624 CA ASN A 42 19.981 -2.918 -1.504 1.00 0.00 C ATOM 625 C ASN A 42 21.173 -2.149 -0.942 1.00 0.00 C ATOM 626 O ASN A 42 21.036 -1.301 -0.060 1.00 0.00 O ATOM 627 CB ASN A 42 18.818 -1.958 -1.763 1.00 0.00 C ATOM 628 CG ASN A 42 17.743 -2.575 -2.638 1.00 0.00 C ATOM 629 OD1 ASN A 42 17.952 -2.801 -3.830 1.00 0.00 O ATOM 630 ND2 ASN A 42 16.586 -2.850 -2.048 1.00 0.00 N ATOM 0 H ASN A 42 19.107 -3.649 0.256 1.00 0.00 H new ATOM 0 HA ASN A 42 20.279 -3.379 -2.445 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.380 -1.657 -0.811 1.00 0.00 H new ATOM 0 HB3 ASN A 42 19.196 -1.054 -2.240 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.825 -3.266 -2.586 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.458 -2.645 -1.057 1.00 0.00 H new ATOM 637 N PRO A 43 22.371 -2.451 -1.463 1.00 0.00 N ATOM 638 CA PRO A 43 23.611 -1.800 -1.029 1.00 0.00 C ATOM 639 C PRO A 43 23.681 -0.339 -1.464 1.00 0.00 C ATOM 640 O PRO A 43 23.926 0.550 -0.648 1.00 0.00 O ATOM 641 CB PRO A 43 24.703 -2.617 -1.723 1.00 0.00 C ATOM 642 CG PRO A 43 24.036 -3.202 -2.920 1.00 0.00 C ATOM 643 CD PRO A 43 22.609 -3.452 -2.517 1.00 0.00 C ATOM 0 HA PRO A 43 23.702 -1.778 0.057 1.00 0.00 H new ATOM 0 HB2 PRO A 43 25.547 -1.989 -2.008 1.00 0.00 H new ATOM 0 HB3 PRO A 43 25.092 -3.395 -1.067 1.00 0.00 H new ATOM 0 HG2 PRO A 43 24.088 -2.520 -3.768 1.00 0.00 H new ATOM 0 HG3 PRO A 43 24.523 -4.128 -3.225 1.00 0.00 H new ATOM 0 HD2 PRO A 43 21.926 -3.322 -3.356 1.00 0.00 H new ATOM 0 HD3 PRO A 43 22.468 -4.467 -2.146 1.00 0.00 H new ATOM 651 N ASP A 44 23.464 -0.099 -2.752 1.00 0.00 N ATOM 652 CA ASP A 44 23.501 1.254 -3.294 1.00 0.00 C ATOM 653 C ASP A 44 22.770 2.228 -2.376 1.00 0.00 C ATOM 654 O ASP A 44 23.365 3.170 -1.854 1.00 0.00 O ATOM 655 CB ASP A 44 22.877 1.284 -4.690 1.00 0.00 C ATOM 656 CG ASP A 44 23.443 2.394 -5.554 1.00 0.00 C ATOM 657 OD1 ASP A 44 24.682 2.463 -5.696 1.00 0.00 O ATOM 658 OD2 ASP A 44 22.647 3.194 -6.087 1.00 0.00 O ATOM 0 H ASP A 44 23.261 -0.824 -3.440 1.00 0.00 H new ATOM 0 HA ASP A 44 24.544 1.562 -3.364 1.00 0.00 H new ATOM 0 HB2 ASP A 44 23.044 0.325 -5.180 1.00 0.00 H new ATOM 0 HB3 ASP A 44 21.798 1.412 -4.600 1.00 0.00 H new ATOM 663 N ASN A 45 21.476 1.994 -2.184 1.00 0.00 N ATOM 664 CA ASN A 45 20.662 2.851 -1.329 1.00 0.00 C ATOM 665 C ASN A 45 19.923 2.029 -0.279 1.00 0.00 C ATOM 666 O ASN A 45 19.079 1.195 -0.608 1.00 0.00 O ATOM 667 CB ASN A 45 19.660 3.643 -2.172 1.00 0.00 C ATOM 668 CG ASN A 45 19.039 2.803 -3.272 1.00 0.00 C ATOM 669 OD1 ASN A 45 19.691 2.480 -4.265 1.00 0.00 O ATOM 670 ND2 ASN A 45 17.772 2.446 -3.099 1.00 0.00 N ATOM 0 H ASN A 45 20.968 1.218 -2.609 1.00 0.00 H new ATOM 0 HA ASN A 45 21.326 3.547 -0.817 1.00 0.00 H new ATOM 0 HB2 ASN A 45 18.872 4.031 -1.526 1.00 0.00 H new ATOM 0 HB3 ASN A 45 20.162 4.503 -2.615 1.00 0.00 H new ATOM 0 HD21 ASN A 45 17.300 1.881 -3.805 1.00 0.00 H new ATOM 0 HD22 ASN A 45 17.270 2.737 -2.260 1.00 0.00 H new ATOM 677 N LYS A 46 20.245 2.269 0.988 1.00 0.00 N ATOM 678 CA LYS A 46 19.612 1.553 2.088 1.00 0.00 C ATOM 679 C LYS A 46 18.407 2.325 2.618 1.00 0.00 C ATOM 680 O LYS A 46 17.325 1.764 2.786 1.00 0.00 O ATOM 681 CB LYS A 46 20.617 1.319 3.218 1.00 0.00 C ATOM 682 CG LYS A 46 21.551 0.147 2.968 1.00 0.00 C ATOM 683 CD LYS A 46 22.817 0.255 3.800 1.00 0.00 C ATOM 684 CE LYS A 46 23.615 -1.040 3.773 1.00 0.00 C ATOM 685 NZ LYS A 46 23.203 -1.968 4.862 1.00 0.00 N ATOM 0 H LYS A 46 20.942 2.955 1.278 1.00 0.00 H new ATOM 0 HA LYS A 46 19.268 0.590 1.711 1.00 0.00 H new ATOM 0 HB2 LYS A 46 21.211 2.222 3.358 1.00 0.00 H new ATOM 0 HB3 LYS A 46 20.073 1.148 4.147 1.00 0.00 H new ATOM 0 HG2 LYS A 46 21.038 -0.785 3.204 1.00 0.00 H new ATOM 0 HG3 LYS A 46 21.812 0.108 1.910 1.00 0.00 H new ATOM 0 HD2 LYS A 46 23.433 1.071 3.422 1.00 0.00 H new ATOM 0 HD3 LYS A 46 22.557 0.502 4.829 1.00 0.00 H new ATOM 0 HE2 LYS A 46 23.480 -1.529 2.808 1.00 0.00 H new ATOM 0 HE3 LYS A 46 24.677 -0.814 3.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 23.770 -2.838 4.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 23.355 -1.511 5.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 22.196 -2.204 4.755 1.00 0.00 H new ATOM 699 N GLU A 47 18.603 3.614 2.877 1.00 0.00 N ATOM 700 CA GLU A 47 17.532 4.462 3.387 1.00 0.00 C ATOM 701 C GLU A 47 16.353 4.489 2.419 1.00 0.00 C ATOM 702 O GLU A 47 15.235 4.117 2.776 1.00 0.00 O ATOM 703 CB GLU A 47 18.045 5.884 3.623 1.00 0.00 C ATOM 704 CG GLU A 47 16.948 6.878 3.963 1.00 0.00 C ATOM 705 CD GLU A 47 16.589 6.871 5.436 1.00 0.00 C ATOM 706 OE1 GLU A 47 17.515 6.795 6.271 1.00 0.00 O ATOM 707 OE2 GLU A 47 15.384 6.940 5.754 1.00 0.00 O ATOM 0 H GLU A 47 19.493 4.094 2.742 1.00 0.00 H new ATOM 0 HA GLU A 47 17.193 4.044 4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.774 5.869 4.434 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.569 6.225 2.730 1.00 0.00 H new ATOM 0 HG2 GLU A 47 17.269 7.879 3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.059 6.647 3.375 1.00 0.00 H new ATOM 714 N GLU A 48 16.611 4.932 1.192 1.00 0.00 N ATOM 715 CA GLU A 48 15.571 5.010 0.174 1.00 0.00 C ATOM 716 C GLU A 48 14.668 3.780 0.223 1.00 0.00 C ATOM 717 O GLU A 48 13.449 3.887 0.097 1.00 0.00 O ATOM 718 CB GLU A 48 16.196 5.141 -1.217 1.00 0.00 C ATOM 719 CG GLU A 48 15.184 5.075 -2.348 1.00 0.00 C ATOM 720 CD GLU A 48 15.639 5.831 -3.582 1.00 0.00 C ATOM 721 OE1 GLU A 48 16.452 5.279 -4.351 1.00 0.00 O ATOM 722 OE2 GLU A 48 15.180 6.976 -3.777 1.00 0.00 O ATOM 0 H GLU A 48 17.531 5.242 0.880 1.00 0.00 H new ATOM 0 HA GLU A 48 14.965 5.893 0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.734 6.087 -1.277 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.931 4.348 -1.352 1.00 0.00 H new ATOM 0 HG2 GLU A 48 15.005 4.032 -2.610 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.234 5.485 -2.005 1.00 0.00 H new ATOM 729 N ALA A 49 15.278 2.613 0.407 1.00 0.00 N ATOM 730 CA ALA A 49 14.530 1.364 0.475 1.00 0.00 C ATOM 731 C ALA A 49 13.729 1.273 1.769 1.00 0.00 C ATOM 732 O ALA A 49 12.535 0.974 1.751 1.00 0.00 O ATOM 733 CB ALA A 49 15.474 0.177 0.352 1.00 0.00 C ATOM 0 H ALA A 49 16.287 2.507 0.511 1.00 0.00 H new ATOM 0 HA ALA A 49 13.827 1.344 -0.358 1.00 0.00 H new ATOM 0 HB1 ALA A 49 14.902 -0.750 0.404 1.00 0.00 H new ATOM 0 HB2 ALA A 49 15.998 0.226 -0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 49 16.199 0.203 1.166 1.00 0.00 H new ATOM 739 N GLU A 50 14.393 1.532 2.891 1.00 0.00 N ATOM 740 CA GLU A 50 13.741 1.478 4.194 1.00 0.00 C ATOM 741 C GLU A 50 12.314 2.011 4.111 1.00 0.00 C ATOM 742 O GLU A 50 11.354 1.295 4.397 1.00 0.00 O ATOM 743 CB GLU A 50 14.539 2.283 5.222 1.00 0.00 C ATOM 744 CG GLU A 50 15.556 1.453 5.989 1.00 0.00 C ATOM 745 CD GLU A 50 16.390 2.287 6.942 1.00 0.00 C ATOM 746 OE1 GLU A 50 17.351 2.935 6.477 1.00 0.00 O ATOM 747 OE2 GLU A 50 16.082 2.292 8.152 1.00 0.00 O ATOM 0 H GLU A 50 15.382 1.781 2.924 1.00 0.00 H new ATOM 0 HA GLU A 50 13.703 0.435 4.510 1.00 0.00 H new ATOM 0 HB2 GLU A 50 15.056 3.096 4.712 1.00 0.00 H new ATOM 0 HB3 GLU A 50 13.847 2.740 5.930 1.00 0.00 H new ATOM 0 HG2 GLU A 50 15.036 0.677 6.551 1.00 0.00 H new ATOM 0 HG3 GLU A 50 16.215 0.948 5.282 1.00 0.00 H new ATOM 754 N LYS A 51 12.182 3.273 3.719 1.00 0.00 N ATOM 755 CA LYS A 51 10.874 3.905 3.597 1.00 0.00 C ATOM 756 C LYS A 51 9.887 2.979 2.893 1.00 0.00 C ATOM 757 O LYS A 51 8.794 2.719 3.397 1.00 0.00 O ATOM 758 CB LYS A 51 10.990 5.223 2.828 1.00 0.00 C ATOM 759 CG LYS A 51 9.649 5.852 2.494 1.00 0.00 C ATOM 760 CD LYS A 51 9.154 5.416 1.125 1.00 0.00 C ATOM 761 CE LYS A 51 9.985 6.030 0.009 1.00 0.00 C ATOM 762 NZ LYS A 51 9.446 5.691 -1.336 1.00 0.00 N ATOM 0 H LYS A 51 12.966 3.880 3.480 1.00 0.00 H new ATOM 0 HA LYS A 51 10.502 4.109 4.601 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.576 5.928 3.418 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.540 5.047 1.903 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.917 5.574 3.252 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.739 6.938 2.521 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.192 4.329 1.053 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.110 5.707 1.005 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.009 7.113 0.128 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.014 5.678 0.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.199 5.266 -1.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.663 5.014 -1.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.100 6.555 -1.799 1.00 0.00 H new ATOM 776 N LYS A 52 10.278 2.483 1.724 1.00 0.00 N ATOM 777 CA LYS A 52 9.430 1.584 0.951 1.00 0.00 C ATOM 778 C LYS A 52 8.953 0.415 1.807 1.00 0.00 C ATOM 779 O LYS A 52 7.821 -0.048 1.668 1.00 0.00 O ATOM 780 CB LYS A 52 10.188 1.059 -0.271 1.00 0.00 C ATOM 781 CG LYS A 52 10.317 2.077 -1.390 1.00 0.00 C ATOM 782 CD LYS A 52 9.082 2.091 -2.276 1.00 0.00 C ATOM 783 CE LYS A 52 9.286 2.967 -3.503 1.00 0.00 C ATOM 784 NZ LYS A 52 8.367 2.590 -4.612 1.00 0.00 N ATOM 0 H LYS A 52 11.178 2.689 1.291 1.00 0.00 H new ATOM 0 HA LYS A 52 8.558 2.146 0.616 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.184 0.743 0.038 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.677 0.175 -0.653 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.472 3.069 -0.965 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.196 1.847 -1.993 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.846 1.074 -2.589 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.228 2.455 -1.705 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.123 4.011 -3.235 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.318 2.882 -3.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.338 3.356 -5.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.709 1.718 -5.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.412 2.432 -4.233 1.00 0.00 H new ATOM 798 N PHE A 53 9.823 -0.056 2.694 1.00 0.00 N ATOM 799 CA PHE A 53 9.490 -1.170 3.574 1.00 0.00 C ATOM 800 C PHE A 53 8.219 -0.876 4.367 1.00 0.00 C ATOM 801 O PHE A 53 7.385 -1.758 4.575 1.00 0.00 O ATOM 802 CB PHE A 53 10.648 -1.455 4.532 1.00 0.00 C ATOM 803 CG PHE A 53 10.478 -2.724 5.318 1.00 0.00 C ATOM 804 CD1 PHE A 53 9.797 -2.722 6.524 1.00 0.00 C ATOM 805 CD2 PHE A 53 11.000 -3.919 4.849 1.00 0.00 C ATOM 806 CE1 PHE A 53 9.638 -3.888 7.249 1.00 0.00 C ATOM 807 CE2 PHE A 53 10.845 -5.089 5.570 1.00 0.00 C ATOM 808 CZ PHE A 53 10.164 -5.073 6.771 1.00 0.00 C ATOM 0 H PHE A 53 10.764 0.316 2.822 1.00 0.00 H new ATOM 0 HA PHE A 53 9.315 -2.050 2.955 1.00 0.00 H new ATOM 0 HB2 PHE A 53 11.575 -1.512 3.962 1.00 0.00 H new ATOM 0 HB3 PHE A 53 10.750 -0.619 5.224 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.385 -1.798 6.903 1.00 0.00 H new ATOM 0 HD2 PHE A 53 11.534 -3.937 3.910 1.00 0.00 H new ATOM 0 HE1 PHE A 53 9.104 -3.873 8.187 1.00 0.00 H new ATOM 0 HE2 PHE A 53 11.256 -6.014 5.194 1.00 0.00 H new ATOM 0 HZ PHE A 53 10.043 -5.985 7.336 1.00 0.00 H new ATOM 818 N LYS A 54 8.079 0.369 4.808 1.00 0.00 N ATOM 819 CA LYS A 54 6.912 0.782 5.578 1.00 0.00 C ATOM 820 C LYS A 54 5.657 0.774 4.710 1.00 0.00 C ATOM 821 O LYS A 54 4.618 0.245 5.108 1.00 0.00 O ATOM 822 CB LYS A 54 7.130 2.179 6.164 1.00 0.00 C ATOM 823 CG LYS A 54 6.000 2.643 7.066 1.00 0.00 C ATOM 824 CD LYS A 54 6.318 3.979 7.716 1.00 0.00 C ATOM 825 CE LYS A 54 5.121 4.527 8.479 1.00 0.00 C ATOM 826 NZ LYS A 54 4.789 3.690 9.664 1.00 0.00 N ATOM 0 H LYS A 54 8.760 1.111 4.645 1.00 0.00 H new ATOM 0 HA LYS A 54 6.775 0.070 6.392 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.061 2.185 6.730 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.248 2.892 5.348 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.082 2.729 6.485 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.819 1.895 7.838 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.162 3.862 8.396 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.622 4.694 6.951 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.332 5.546 8.802 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.258 4.575 7.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.001 4.124 10.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.514 2.737 9.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.620 3.623 10.286 1.00 0.00 H new ATOM 840 N LEU A 55 5.761 1.361 3.523 1.00 0.00 N ATOM 841 CA LEU A 55 4.635 1.420 2.597 1.00 0.00 C ATOM 842 C LEU A 55 4.084 0.025 2.320 1.00 0.00 C ATOM 843 O LEU A 55 2.884 -0.217 2.448 1.00 0.00 O ATOM 844 CB LEU A 55 5.061 2.083 1.286 1.00 0.00 C ATOM 845 CG LEU A 55 5.107 3.611 1.290 1.00 0.00 C ATOM 846 CD1 LEU A 55 5.987 4.122 0.160 1.00 0.00 C ATOM 847 CD2 LEU A 55 3.703 4.187 1.177 1.00 0.00 C ATOM 0 H LEU A 55 6.613 1.803 3.179 1.00 0.00 H new ATOM 0 HA LEU A 55 3.848 2.016 3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.050 1.711 1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.376 1.762 0.501 1.00 0.00 H new ATOM 0 HG LEU A 55 5.538 3.940 2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.007 5.212 0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.999 3.738 0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.586 3.783 -0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.755 5.276 1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.245 3.849 0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.102 3.849 2.021 1.00 0.00 H new ATOM 859 N VAL A 56 4.971 -0.891 1.941 1.00 0.00 N ATOM 860 CA VAL A 56 4.574 -2.263 1.649 1.00 0.00 C ATOM 861 C VAL A 56 3.837 -2.885 2.829 1.00 0.00 C ATOM 862 O VAL A 56 2.816 -3.551 2.655 1.00 0.00 O ATOM 863 CB VAL A 56 5.794 -3.137 1.302 1.00 0.00 C ATOM 864 CG1 VAL A 56 5.381 -4.593 1.149 1.00 0.00 C ATOM 865 CG2 VAL A 56 6.469 -2.630 0.036 1.00 0.00 C ATOM 0 H VAL A 56 5.968 -0.707 1.829 1.00 0.00 H new ATOM 0 HA VAL A 56 3.907 -2.223 0.788 1.00 0.00 H new ATOM 0 HB VAL A 56 6.511 -3.072 2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.256 -5.195 0.904 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.946 -4.948 2.083 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.645 -4.680 0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.329 -3.259 -0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.761 -2.665 -0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.801 -1.603 0.187 1.00 0.00 H new ATOM 875 N SER A 57 4.360 -2.663 4.030 1.00 0.00 N ATOM 876 CA SER A 57 3.752 -3.205 5.240 1.00 0.00 C ATOM 877 C SER A 57 2.378 -2.589 5.481 1.00 0.00 C ATOM 878 O SER A 57 1.399 -3.299 5.710 1.00 0.00 O ATOM 879 CB SER A 57 4.656 -2.950 6.448 1.00 0.00 C ATOM 880 OG SER A 57 5.907 -3.600 6.296 1.00 0.00 O ATOM 0 H SER A 57 5.203 -2.112 4.192 1.00 0.00 H new ATOM 0 HA SER A 57 3.630 -4.280 5.105 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.812 -1.878 6.569 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.166 -3.305 7.354 1.00 0.00 H new ATOM 0 HG SER A 57 6.484 -3.066 5.711 1.00 0.00 H new ATOM 886 N GLU A 58 2.313 -1.262 5.426 1.00 0.00 N ATOM 887 CA GLU A 58 1.058 -0.550 5.639 1.00 0.00 C ATOM 888 C GLU A 58 0.030 -0.929 4.577 1.00 0.00 C ATOM 889 O GLU A 58 -1.017 -1.496 4.886 1.00 0.00 O ATOM 890 CB GLU A 58 1.295 0.962 5.619 1.00 0.00 C ATOM 891 CG GLU A 58 0.086 1.772 6.055 1.00 0.00 C ATOM 892 CD GLU A 58 0.456 3.169 6.517 1.00 0.00 C ATOM 893 OE1 GLU A 58 1.348 3.783 5.896 1.00 0.00 O ATOM 894 OE2 GLU A 58 -0.148 3.647 7.500 1.00 0.00 O ATOM 0 H GLU A 58 3.114 -0.659 5.236 1.00 0.00 H new ATOM 0 HA GLU A 58 0.668 -0.837 6.616 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.135 1.198 6.272 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.580 1.264 4.611 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.618 1.842 5.226 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.425 1.249 6.864 1.00 0.00 H new ATOM 901 N ALA A 59 0.339 -0.612 3.323 1.00 0.00 N ATOM 902 CA ALA A 59 -0.556 -0.921 2.215 1.00 0.00 C ATOM 903 C ALA A 59 -1.034 -2.368 2.281 1.00 0.00 C ATOM 904 O ALA A 59 -2.216 -2.651 2.089 1.00 0.00 O ATOM 905 CB ALA A 59 0.135 -0.651 0.887 1.00 0.00 C ATOM 0 H ALA A 59 1.202 -0.142 3.050 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.430 -0.274 2.295 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.545 -0.886 0.068 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.419 0.400 0.832 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.027 -1.273 0.808 1.00 0.00 H new ATOM 911 N TYR A 60 -0.106 -3.279 2.553 1.00 0.00 N ATOM 912 CA TYR A 60 -0.432 -4.698 2.641 1.00 0.00 C ATOM 913 C TYR A 60 -1.610 -4.929 3.583 1.00 0.00 C ATOM 914 O TYR A 60 -2.476 -5.762 3.318 1.00 0.00 O ATOM 915 CB TYR A 60 0.783 -5.493 3.121 1.00 0.00 C ATOM 916 CG TYR A 60 0.428 -6.823 3.746 1.00 0.00 C ATOM 917 CD1 TYR A 60 -0.447 -7.698 3.114 1.00 0.00 C ATOM 918 CD2 TYR A 60 0.967 -7.205 4.968 1.00 0.00 C ATOM 919 CE1 TYR A 60 -0.775 -8.914 3.682 1.00 0.00 C ATOM 920 CE2 TYR A 60 0.646 -8.419 5.543 1.00 0.00 C ATOM 921 CZ TYR A 60 -0.226 -9.270 4.896 1.00 0.00 C ATOM 922 OH TYR A 60 -0.549 -10.481 5.465 1.00 0.00 O ATOM 0 H TYR A 60 0.877 -3.061 2.716 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.713 -5.043 1.646 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.451 -5.665 2.277 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.334 -4.895 3.847 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.878 -7.423 2.163 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.649 -6.541 5.478 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.458 -9.582 3.178 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.075 -8.700 6.493 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.077 -10.578 6.318 1.00 0.00 H new ATOM 932 N GLU A 61 -1.633 -4.184 4.684 1.00 0.00 N ATOM 933 CA GLU A 61 -2.704 -4.308 5.666 1.00 0.00 C ATOM 934 C GLU A 61 -3.953 -3.562 5.206 1.00 0.00 C ATOM 935 O GLU A 61 -5.070 -4.065 5.329 1.00 0.00 O ATOM 936 CB GLU A 61 -2.246 -3.769 7.023 1.00 0.00 C ATOM 937 CG GLU A 61 -1.159 -4.607 7.676 1.00 0.00 C ATOM 938 CD GLU A 61 -1.707 -5.848 8.353 1.00 0.00 C ATOM 939 OE1 GLU A 61 -1.990 -6.835 7.643 1.00 0.00 O ATOM 940 OE2 GLU A 61 -1.854 -5.832 9.593 1.00 0.00 O ATOM 0 H GLU A 61 -0.924 -3.490 4.918 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.950 -5.365 5.767 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.880 -2.750 6.895 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.105 -3.717 7.692 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.430 -4.901 6.921 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.630 -4.000 8.411 1.00 0.00 H new ATOM 947 N VAL A 62 -3.756 -2.359 4.676 1.00 0.00 N ATOM 948 CA VAL A 62 -4.865 -1.544 4.197 1.00 0.00 C ATOM 949 C VAL A 62 -5.793 -2.352 3.297 1.00 0.00 C ATOM 950 O VAL A 62 -7.008 -2.148 3.295 1.00 0.00 O ATOM 951 CB VAL A 62 -4.362 -0.311 3.422 1.00 0.00 C ATOM 952 CG1 VAL A 62 -5.531 0.467 2.838 1.00 0.00 C ATOM 953 CG2 VAL A 62 -3.518 0.577 4.325 1.00 0.00 C ATOM 0 H VAL A 62 -2.838 -1.928 4.568 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.416 -1.211 5.077 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.736 -0.652 2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.156 1.334 2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.091 -0.174 2.157 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.186 0.799 3.644 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.171 1.443 3.762 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.119 0.911 5.171 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.659 0.013 4.690 1.00 0.00 H new ATOM 963 N LEU A 63 -5.213 -3.270 2.531 1.00 0.00 N ATOM 964 CA LEU A 63 -5.988 -4.111 1.626 1.00 0.00 C ATOM 965 C LEU A 63 -6.330 -5.446 2.280 1.00 0.00 C ATOM 966 O LEU A 63 -7.474 -5.896 2.234 1.00 0.00 O ATOM 967 CB LEU A 63 -5.210 -4.350 0.330 1.00 0.00 C ATOM 968 CG LEU A 63 -4.652 -3.104 -0.357 1.00 0.00 C ATOM 969 CD1 LEU A 63 -3.653 -3.492 -1.437 1.00 0.00 C ATOM 970 CD2 LEU A 63 -5.780 -2.269 -0.947 1.00 0.00 C ATOM 0 H LEU A 63 -4.209 -3.451 2.519 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.918 -3.592 1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.381 -5.023 0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.864 -4.866 -0.373 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.134 -2.502 0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.266 -2.592 -1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.829 -4.047 -0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.147 -4.115 -2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.364 -1.386 -1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.327 -2.862 -1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.458 -1.960 -0.152 1.00 0.00 H new ATOM 982 N SER A 64 -5.330 -6.073 2.892 1.00 0.00 N ATOM 983 CA SER A 64 -5.524 -7.357 3.555 1.00 0.00 C ATOM 984 C SER A 64 -6.756 -7.322 4.454 1.00 0.00 C ATOM 985 O SER A 64 -7.491 -8.305 4.556 1.00 0.00 O ATOM 986 CB SER A 64 -4.288 -7.722 4.378 1.00 0.00 C ATOM 987 OG SER A 64 -3.339 -8.420 3.591 1.00 0.00 O ATOM 0 H SER A 64 -4.377 -5.712 2.942 1.00 0.00 H new ATOM 0 HA SER A 64 -5.677 -8.116 2.787 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.835 -6.816 4.781 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.582 -8.337 5.229 1.00 0.00 H new ATOM 0 HG SER A 64 -2.439 -8.088 3.792 1.00 0.00 H new ATOM 993 N ASP A 65 -6.974 -6.185 5.105 1.00 0.00 N ATOM 994 CA ASP A 65 -8.117 -6.020 5.996 1.00 0.00 C ATOM 995 C ASP A 65 -9.408 -5.859 5.199 1.00 0.00 C ATOM 996 O ASP A 65 -9.392 -5.391 4.061 1.00 0.00 O ATOM 997 CB ASP A 65 -7.911 -4.809 6.907 1.00 0.00 C ATOM 998 CG ASP A 65 -8.615 -4.961 8.240 1.00 0.00 C ATOM 999 OD1 ASP A 65 -9.626 -5.693 8.297 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -8.157 -4.348 9.227 1.00 0.00 O ATOM 0 H ASP A 65 -6.374 -5.363 5.033 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.199 -6.916 6.610 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.844 -4.664 7.077 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.279 -3.914 6.405 1.00 0.00 H new ATOM 1005 N SER A 66 -10.524 -6.251 5.805 1.00 0.00 N ATOM 1006 CA SER A 66 -11.824 -6.155 5.151 1.00 0.00 C ATOM 1007 C SER A 66 -12.386 -4.741 5.266 1.00 0.00 C ATOM 1008 O SER A 66 -12.996 -4.224 4.330 1.00 0.00 O ATOM 1009 CB SER A 66 -12.803 -7.157 5.764 1.00 0.00 C ATOM 1010 OG SER A 66 -14.072 -7.078 5.139 1.00 0.00 O ATOM 0 H SER A 66 -10.554 -6.638 6.748 1.00 0.00 H new ATOM 0 HA SER A 66 -11.690 -6.390 4.095 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.406 -8.167 5.662 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.907 -6.962 6.831 1.00 0.00 H new ATOM 0 HG SER A 66 -14.679 -7.730 5.548 1.00 0.00 H new ATOM 1016 N LYS A 67 -12.177 -4.121 6.422 1.00 0.00 N ATOM 1017 CA LYS A 67 -12.661 -2.766 6.663 1.00 0.00 C ATOM 1018 C LYS A 67 -11.809 -1.744 5.918 1.00 0.00 C ATOM 1019 O LYS A 67 -12.333 -0.856 5.244 1.00 0.00 O ATOM 1020 CB LYS A 67 -12.653 -2.458 8.162 1.00 0.00 C ATOM 1021 CG LYS A 67 -11.280 -2.580 8.800 1.00 0.00 C ATOM 1022 CD LYS A 67 -11.327 -2.273 10.287 1.00 0.00 C ATOM 1023 CE LYS A 67 -9.936 -2.018 10.848 1.00 0.00 C ATOM 1024 NZ LYS A 67 -9.872 -2.281 12.312 1.00 0.00 N ATOM 0 H LYS A 67 -11.675 -4.535 7.208 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.683 -2.701 6.291 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.029 -1.447 8.319 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.341 -3.136 8.667 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.895 -3.588 8.648 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.587 -1.897 8.308 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.956 -1.400 10.460 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.787 -3.107 10.817 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.215 -2.653 10.333 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.649 -0.985 10.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.908 -2.096 12.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.542 -1.658 12.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.121 -3.274 12.498 1.00 0.00 H new ATOM 1038 N LYS A 68 -10.493 -1.874 6.042 1.00 0.00 N ATOM 1039 CA LYS A 68 -9.567 -0.963 5.379 1.00 0.00 C ATOM 1040 C LYS A 68 -9.715 -1.045 3.863 1.00 0.00 C ATOM 1041 O LYS A 68 -9.850 -0.025 3.188 1.00 0.00 O ATOM 1042 CB LYS A 68 -8.126 -1.288 5.780 1.00 0.00 C ATOM 1043 CG LYS A 68 -7.903 -1.315 7.282 1.00 0.00 C ATOM 1044 CD LYS A 68 -6.450 -1.046 7.635 1.00 0.00 C ATOM 1045 CE LYS A 68 -6.109 0.431 7.503 1.00 0.00 C ATOM 1046 NZ LYS A 68 -4.891 0.790 8.281 1.00 0.00 N ATOM 0 H LYS A 68 -10.043 -2.602 6.596 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.806 0.052 5.695 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.852 -2.257 5.363 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.459 -0.549 5.335 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.538 -0.568 7.759 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.201 -2.286 7.678 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.255 -1.376 8.655 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.802 -1.630 6.982 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.954 0.676 6.452 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.951 1.031 7.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.692 1.804 8.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.048 0.580 9.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.082 0.236 7.934 1.00 0.00 H new ATOM 1060 N ARG A 69 -9.691 -2.265 3.336 1.00 0.00 N ATOM 1061 CA ARG A 69 -9.823 -2.479 1.900 1.00 0.00 C ATOM 1062 C ARG A 69 -11.010 -1.700 1.341 1.00 0.00 C ATOM 1063 O ARG A 69 -10.860 -0.901 0.416 1.00 0.00 O ATOM 1064 CB ARG A 69 -9.991 -3.970 1.599 1.00 0.00 C ATOM 1065 CG ARG A 69 -10.060 -4.287 0.114 1.00 0.00 C ATOM 1066 CD ARG A 69 -8.675 -4.512 -0.473 1.00 0.00 C ATOM 1067 NE ARG A 69 -8.717 -5.344 -1.672 1.00 0.00 N ATOM 1068 CZ ARG A 69 -8.687 -6.672 -1.647 1.00 0.00 C ATOM 1069 NH1 ARG A 69 -8.617 -7.315 -0.490 1.00 0.00 N ATOM 1070 NH2 ARG A 69 -8.729 -7.359 -2.781 1.00 0.00 N ATOM 0 H ARG A 69 -9.581 -3.120 3.882 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.914 -2.118 1.419 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -9.158 -4.517 2.041 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -10.900 -4.329 2.081 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -10.671 -5.176 -0.041 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -10.550 -3.468 -0.412 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.223 -3.550 -0.715 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.037 -4.985 0.274 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.772 -4.880 -2.579 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.586 -6.790 0.384 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.594 -8.335 -0.474 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.784 -6.868 -3.673 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.706 -8.379 -2.761 1.00 0.00 H new ATOM 1084 N SER A 70 -12.188 -1.938 1.908 1.00 0.00 N ATOM 1085 CA SER A 70 -13.401 -1.262 1.464 1.00 0.00 C ATOM 1086 C SER A 70 -13.328 0.234 1.758 1.00 0.00 C ATOM 1087 O SER A 70 -13.653 1.063 0.907 1.00 0.00 O ATOM 1088 CB SER A 70 -14.628 -1.868 2.147 1.00 0.00 C ATOM 1089 OG SER A 70 -14.698 -3.266 1.922 1.00 0.00 O ATOM 0 H SER A 70 -12.328 -2.594 2.676 1.00 0.00 H new ATOM 0 HA SER A 70 -13.490 -1.399 0.386 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.587 -1.670 3.218 1.00 0.00 H new ATOM 0 HB3 SER A 70 -15.532 -1.390 1.769 1.00 0.00 H new ATOM 0 HG SER A 70 -14.192 -3.735 2.618 1.00 0.00 H new ATOM 1095 N LEU A 71 -12.900 0.571 2.969 1.00 0.00 N ATOM 1096 CA LEU A 71 -12.784 1.967 3.379 1.00 0.00 C ATOM 1097 C LEU A 71 -11.976 2.767 2.362 1.00 0.00 C ATOM 1098 O LEU A 71 -12.358 3.874 1.983 1.00 0.00 O ATOM 1099 CB LEU A 71 -12.127 2.062 4.757 1.00 0.00 C ATOM 1100 CG LEU A 71 -13.067 1.948 5.957 1.00 0.00 C ATOM 1101 CD1 LEU A 71 -12.312 1.453 7.181 1.00 0.00 C ATOM 1102 CD2 LEU A 71 -13.731 3.287 6.243 1.00 0.00 C ATOM 0 H LEU A 71 -12.627 -0.103 3.685 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.788 2.389 3.432 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.375 1.277 4.834 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.601 3.014 4.822 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.845 1.223 5.718 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.997 1.378 8.025 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.884 0.472 6.973 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.513 2.153 7.423 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.397 3.187 7.100 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.967 4.033 6.462 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.306 3.601 5.372 1.00 0.00 H new