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 :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0353 K(o=-0.035,f=-1.2) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -2.53! C(o=-2.5!,f=-7.4!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 1.19 K(o=1.2,f=-0.24) USER MOD Single : A 45 ASN : amide:sc= -0.537 K(o=-0.54,f=-1.3) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -167:sc= 0 (180deg=-0.102) USER MOD Single : A 57 SER OG : rot -57:sc= 0.949 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -34:sc= -0.0525 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 96:sc= 0.174 USER MOD ----------------------------------------------------------------- ATOM 93 N ASN A 10 -0.333 4.421 -4.275 1.00 0.00 N ATOM 94 CA ASN A 10 -1.527 3.583 -4.294 1.00 0.00 C ATOM 95 C ASN A 10 -1.226 2.195 -3.736 1.00 0.00 C ATOM 96 O ASN A 10 -0.444 1.439 -4.313 1.00 0.00 O ATOM 97 CB ASN A 10 -2.071 3.466 -5.719 1.00 0.00 C ATOM 98 CG ASN A 10 -2.118 4.804 -6.431 1.00 0.00 C ATOM 99 OD1 ASN A 10 -1.249 4.979 -7.420 1.00 0.00 O flip ATOM 100 ND2 ASN A 10 -2.927 5.670 -6.097 1.00 0.00 N flip ATOM 0 HA ASN A 10 -2.281 4.053 -3.663 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.447 2.776 -6.288 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.073 3.038 -5.689 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.577 5.493 -5.331 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -2.947 6.565 -6.586 1.00 0.00 H new ATOM 107 N TYR A 11 -1.854 1.866 -2.613 1.00 0.00 N ATOM 108 CA TYR A 11 -1.653 0.570 -1.976 1.00 0.00 C ATOM 109 C TYR A 11 -1.575 -0.542 -3.017 1.00 0.00 C ATOM 110 O TYR A 11 -0.638 -1.340 -3.022 1.00 0.00 O ATOM 111 CB TYR A 11 -2.785 0.282 -0.989 1.00 0.00 C ATOM 112 CG TYR A 11 -2.854 1.266 0.157 1.00 0.00 C ATOM 113 CD1 TYR A 11 -1.706 1.658 0.833 1.00 0.00 C ATOM 114 CD2 TYR A 11 -4.069 1.805 0.563 1.00 0.00 C ATOM 115 CE1 TYR A 11 -1.765 2.557 1.880 1.00 0.00 C ATOM 116 CE2 TYR A 11 -4.138 2.705 1.609 1.00 0.00 C ATOM 117 CZ TYR A 11 -2.983 3.077 2.265 1.00 0.00 C ATOM 118 OH TYR A 11 -3.046 3.973 3.307 1.00 0.00 O ATOM 0 H TYR A 11 -2.507 2.479 -2.125 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.708 0.603 -1.434 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -3.734 0.294 -1.524 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -2.658 -0.723 -0.587 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.750 1.253 0.535 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -4.975 1.515 0.052 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.862 2.851 2.394 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -5.090 3.115 1.911 1.00 0.00 H new ATOM 0 HH TYR A 11 -3.977 4.243 3.450 1.00 0.00 H new ATOM 128 N TYR A 12 -2.568 -0.588 -3.899 1.00 0.00 N ATOM 129 CA TYR A 12 -2.615 -1.602 -4.945 1.00 0.00 C ATOM 130 C TYR A 12 -1.333 -1.592 -5.772 1.00 0.00 C ATOM 131 O TYR A 12 -0.742 -2.639 -6.034 1.00 0.00 O ATOM 132 CB TYR A 12 -3.823 -1.372 -5.854 1.00 0.00 C ATOM 133 CG TYR A 12 -5.140 -1.756 -5.220 1.00 0.00 C ATOM 134 CD1 TYR A 12 -5.544 -3.085 -5.161 1.00 0.00 C ATOM 135 CD2 TYR A 12 -5.982 -0.792 -4.679 1.00 0.00 C ATOM 136 CE1 TYR A 12 -6.747 -3.441 -4.583 1.00 0.00 C ATOM 137 CE2 TYR A 12 -7.186 -1.139 -4.098 1.00 0.00 C ATOM 138 CZ TYR A 12 -7.564 -2.465 -4.052 1.00 0.00 C ATOM 139 OH TYR A 12 -8.763 -2.814 -3.475 1.00 0.00 O ATOM 0 H TYR A 12 -3.351 0.066 -3.910 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.709 -2.577 -4.466 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -3.859 -0.320 -6.137 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.691 -1.945 -6.772 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.906 -3.852 -5.574 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -5.690 0.247 -4.713 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -7.046 -4.478 -4.547 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -7.828 -0.377 -3.682 1.00 0.00 H new ATOM 0 HH TYR A 12 -9.216 -2.008 -3.149 1.00 0.00 H new ATOM 149 N GLU A 13 -0.909 -0.400 -6.180 1.00 0.00 N ATOM 150 CA GLU A 13 0.303 -0.252 -6.977 1.00 0.00 C ATOM 151 C GLU A 13 1.530 -0.707 -6.191 1.00 0.00 C ATOM 152 O GLU A 13 2.304 -1.543 -6.656 1.00 0.00 O ATOM 153 CB GLU A 13 0.476 1.203 -7.418 1.00 0.00 C ATOM 154 CG GLU A 13 -0.468 1.617 -8.534 1.00 0.00 C ATOM 155 CD GLU A 13 0.085 2.752 -9.375 1.00 0.00 C ATOM 156 OE1 GLU A 13 1.317 2.957 -9.357 1.00 0.00 O ATOM 157 OE2 GLU A 13 -0.714 3.435 -10.049 1.00 0.00 O ATOM 0 H GLU A 13 -1.387 0.477 -5.972 1.00 0.00 H new ATOM 0 HA GLU A 13 0.205 -0.882 -7.861 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.318 1.855 -6.559 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.504 1.354 -7.748 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.666 0.758 -9.175 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.422 1.920 -8.104 1.00 0.00 H new ATOM 164 N VAL A 14 1.701 -0.148 -4.997 1.00 0.00 N ATOM 165 CA VAL A 14 2.833 -0.495 -4.146 1.00 0.00 C ATOM 166 C VAL A 14 3.080 -1.999 -4.146 1.00 0.00 C ATOM 167 O VAL A 14 4.184 -2.458 -4.442 1.00 0.00 O ATOM 168 CB VAL A 14 2.611 -0.022 -2.697 1.00 0.00 C ATOM 169 CG1 VAL A 14 3.744 -0.497 -1.801 1.00 0.00 C ATOM 170 CG2 VAL A 14 2.478 1.492 -2.646 1.00 0.00 C ATOM 0 H VAL A 14 1.070 0.547 -4.597 1.00 0.00 H new ATOM 0 HA VAL A 14 3.705 0.013 -4.557 1.00 0.00 H new ATOM 0 HB VAL A 14 1.682 -0.458 -2.329 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.570 -0.153 -0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.786 -1.586 -1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.689 -0.092 -2.164 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.322 1.809 -1.615 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.388 1.950 -3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.629 1.803 -3.254 1.00 0.00 H new ATOM 180 N LEU A 15 2.045 -2.763 -3.814 1.00 0.00 N ATOM 181 CA LEU A 15 2.148 -4.217 -3.776 1.00 0.00 C ATOM 182 C LEU A 15 2.211 -4.796 -5.186 1.00 0.00 C ATOM 183 O LEU A 15 2.979 -5.718 -5.456 1.00 0.00 O ATOM 184 CB LEU A 15 0.959 -4.813 -3.020 1.00 0.00 C ATOM 185 CG LEU A 15 1.016 -4.716 -1.495 1.00 0.00 C ATOM 186 CD1 LEU A 15 -0.387 -4.635 -0.913 1.00 0.00 C ATOM 187 CD2 LEU A 15 1.770 -5.902 -0.912 1.00 0.00 C ATOM 0 H LEU A 15 1.125 -2.399 -3.567 1.00 0.00 H new ATOM 0 HA LEU A 15 3.069 -4.477 -3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.051 -4.316 -3.362 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.870 -5.864 -3.294 1.00 0.00 H new ATOM 0 HG LEU A 15 1.551 -3.805 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.327 -4.567 0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.893 -3.753 -1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.948 -5.528 -1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.800 -5.816 0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.263 -6.827 -1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.787 -5.914 -1.303 1.00 0.00 H new ATOM 199 N GLY A 16 1.398 -4.246 -6.083 1.00 0.00 N ATOM 200 CA GLY A 16 1.378 -4.718 -7.455 1.00 0.00 C ATOM 201 C GLY A 16 0.303 -5.759 -7.694 1.00 0.00 C ATOM 202 O GLY A 16 0.559 -6.800 -8.299 1.00 0.00 O ATOM 0 H GLY A 16 0.753 -3.482 -5.884 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.216 -3.873 -8.124 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.351 -5.141 -7.705 1.00 0.00 H new ATOM 206 N VAL A 17 -0.906 -5.480 -7.216 1.00 0.00 N ATOM 207 CA VAL A 17 -2.025 -6.400 -7.380 1.00 0.00 C ATOM 208 C VAL A 17 -3.229 -5.697 -7.997 1.00 0.00 C ATOM 209 O VAL A 17 -3.249 -4.473 -8.118 1.00 0.00 O ATOM 210 CB VAL A 17 -2.441 -7.023 -6.035 1.00 0.00 C ATOM 211 CG1 VAL A 17 -1.308 -7.859 -5.460 1.00 0.00 C ATOM 212 CG2 VAL A 17 -2.866 -5.940 -5.055 1.00 0.00 C ATOM 0 H VAL A 17 -1.135 -4.623 -6.712 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.688 -7.192 -8.049 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.294 -7.680 -6.207 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.621 -8.291 -4.509 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.056 -8.659 -6.157 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.434 -7.227 -5.301 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.157 -6.398 -4.110 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.035 -5.256 -4.886 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.712 -5.389 -5.466 1.00 0.00 H new ATOM 222 N GLN A 18 -4.230 -6.480 -8.384 1.00 0.00 N ATOM 223 CA GLN A 18 -5.439 -5.932 -8.988 1.00 0.00 C ATOM 224 C GLN A 18 -6.481 -5.608 -7.923 1.00 0.00 C ATOM 225 O GLN A 18 -6.410 -6.104 -6.800 1.00 0.00 O ATOM 226 CB GLN A 18 -6.019 -6.918 -10.003 1.00 0.00 C ATOM 227 CG GLN A 18 -5.112 -7.166 -11.198 1.00 0.00 C ATOM 228 CD GLN A 18 -5.260 -6.108 -12.273 1.00 0.00 C ATOM 229 OE1 GLN A 18 -5.949 -5.105 -12.082 1.00 0.00 O ATOM 230 NE2 GLN A 18 -4.612 -6.325 -13.411 1.00 0.00 N ATOM 0 H GLN A 18 -4.228 -7.496 -8.290 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.172 -5.008 -9.501 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.216 -7.867 -9.504 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.978 -6.540 -10.358 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.075 -7.195 -10.862 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -5.337 -8.144 -11.623 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.052 -7.170 -13.526 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.674 -5.647 -14.170 1.00 0.00 H new ATOM 239 N ALA A 19 -7.448 -4.771 -8.285 1.00 0.00 N ATOM 240 CA ALA A 19 -8.506 -4.382 -7.361 1.00 0.00 C ATOM 241 C ALA A 19 -9.258 -5.603 -6.841 1.00 0.00 C ATOM 242 O ALA A 19 -9.598 -5.678 -5.661 1.00 0.00 O ATOM 243 CB ALA A 19 -9.468 -3.416 -8.036 1.00 0.00 C ATOM 0 H ALA A 19 -7.520 -4.350 -9.211 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.044 -3.882 -6.509 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.253 -3.134 -7.334 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.926 -2.524 -8.352 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.915 -3.896 -8.906 1.00 0.00 H new ATOM 249 N SER A 20 -9.516 -6.556 -7.731 1.00 0.00 N ATOM 250 CA SER A 20 -10.232 -7.772 -7.363 1.00 0.00 C ATOM 251 C SER A 20 -9.257 -8.899 -7.037 1.00 0.00 C ATOM 252 O SER A 20 -9.631 -10.071 -7.014 1.00 0.00 O ATOM 253 CB SER A 20 -11.166 -8.202 -8.496 1.00 0.00 C ATOM 254 OG SER A 20 -10.447 -8.411 -9.698 1.00 0.00 O ATOM 0 H SER A 20 -9.240 -6.510 -8.712 1.00 0.00 H new ATOM 0 HA SER A 20 -10.825 -7.560 -6.474 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.685 -9.118 -8.215 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.928 -7.439 -8.653 1.00 0.00 H new ATOM 0 HG SER A 20 -11.066 -8.687 -10.406 1.00 0.00 H new ATOM 260 N ALA A 21 -8.004 -8.535 -6.786 1.00 0.00 N ATOM 261 CA ALA A 21 -6.974 -9.514 -6.460 1.00 0.00 C ATOM 262 C ALA A 21 -7.378 -10.353 -5.252 1.00 0.00 C ATOM 263 O ALA A 21 -8.077 -9.875 -4.358 1.00 0.00 O ATOM 264 CB ALA A 21 -5.646 -8.818 -6.201 1.00 0.00 C ATOM 0 H ALA A 21 -7.677 -7.569 -6.802 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.860 -10.183 -7.313 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.887 -9.562 -5.959 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.344 -8.268 -7.092 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.755 -8.125 -5.366 1.00 0.00 H new ATOM 270 N SER A 22 -6.933 -11.605 -5.231 1.00 0.00 N ATOM 271 CA SER A 22 -7.252 -12.512 -4.135 1.00 0.00 C ATOM 272 C SER A 22 -6.459 -12.150 -2.882 1.00 0.00 C ATOM 273 O SER A 22 -5.431 -11.474 -2.941 1.00 0.00 O ATOM 274 CB SER A 22 -6.957 -13.958 -4.538 1.00 0.00 C ATOM 275 OG SER A 22 -8.054 -14.528 -5.230 1.00 0.00 O ATOM 0 H SER A 22 -6.350 -12.015 -5.961 1.00 0.00 H new ATOM 0 HA SER A 22 -8.315 -12.414 -3.913 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.069 -13.989 -5.169 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.737 -14.549 -3.649 1.00 0.00 H new ATOM 0 HG SER A 22 -7.840 -15.452 -5.478 1.00 0.00 H new ATOM 281 N PRO A 23 -6.946 -12.610 -1.721 1.00 0.00 N ATOM 282 CA PRO A 23 -6.300 -12.348 -0.432 1.00 0.00 C ATOM 283 C PRO A 23 -4.978 -13.093 -0.284 1.00 0.00 C ATOM 284 O PRO A 23 -4.262 -12.915 0.700 1.00 0.00 O ATOM 285 CB PRO A 23 -7.320 -12.862 0.588 1.00 0.00 C ATOM 286 CG PRO A 23 -8.106 -13.890 -0.149 1.00 0.00 C ATOM 287 CD PRO A 23 -8.166 -13.422 -1.577 1.00 0.00 C ATOM 0 HA PRO A 23 -6.048 -11.295 -0.310 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -6.826 -13.291 1.460 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.960 -12.057 0.948 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -7.631 -14.869 -0.079 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -9.107 -13.991 0.271 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -8.176 -14.260 -2.274 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.064 -12.836 -1.770 1.00 0.00 H new ATOM 295 N GLU A 24 -4.660 -13.927 -1.270 1.00 0.00 N ATOM 296 CA GLU A 24 -3.424 -14.699 -1.248 1.00 0.00 C ATOM 297 C GLU A 24 -2.322 -13.984 -2.025 1.00 0.00 C ATOM 298 O GLU A 24 -1.155 -14.011 -1.635 1.00 0.00 O ATOM 299 CB GLU A 24 -3.656 -16.092 -1.836 1.00 0.00 C ATOM 300 CG GLU A 24 -2.579 -17.098 -1.463 1.00 0.00 C ATOM 301 CD GLU A 24 -1.380 -17.039 -2.388 1.00 0.00 C ATOM 302 OE1 GLU A 24 -1.578 -17.104 -3.620 1.00 0.00 O ATOM 303 OE2 GLU A 24 -0.244 -16.929 -1.882 1.00 0.00 O ATOM 0 H GLU A 24 -5.241 -14.085 -2.093 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.107 -14.799 -0.210 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.622 -16.464 -1.496 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.708 -16.015 -2.922 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.253 -16.913 -0.440 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.002 -18.102 -1.486 1.00 0.00 H new ATOM 310 N ASP A 25 -2.702 -13.345 -3.126 1.00 0.00 N ATOM 311 CA ASP A 25 -1.748 -12.622 -3.958 1.00 0.00 C ATOM 312 C ASP A 25 -1.131 -11.456 -3.191 1.00 0.00 C ATOM 313 O ASP A 25 0.075 -11.221 -3.264 1.00 0.00 O ATOM 314 CB ASP A 25 -2.431 -12.108 -5.227 1.00 0.00 C ATOM 315 CG ASP A 25 -1.486 -12.048 -6.410 1.00 0.00 C ATOM 316 OD1 ASP A 25 -0.697 -13.000 -6.589 1.00 0.00 O ATOM 317 OD2 ASP A 25 -1.535 -11.050 -7.158 1.00 0.00 O ATOM 0 H ASP A 25 -3.664 -13.313 -3.463 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.952 -13.312 -4.237 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.273 -12.756 -5.471 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.838 -11.114 -5.040 1.00 0.00 H new ATOM 322 N ILE A 26 -1.967 -10.730 -2.456 1.00 0.00 N ATOM 323 CA ILE A 26 -1.503 -9.590 -1.676 1.00 0.00 C ATOM 324 C ILE A 26 -0.554 -10.031 -0.567 1.00 0.00 C ATOM 325 O ILE A 26 0.457 -9.381 -0.304 1.00 0.00 O ATOM 326 CB ILE A 26 -2.681 -8.819 -1.051 1.00 0.00 C ATOM 327 CG1 ILE A 26 -3.599 -8.271 -2.146 1.00 0.00 C ATOM 328 CG2 ILE A 26 -2.168 -7.691 -0.169 1.00 0.00 C ATOM 329 CD1 ILE A 26 -5.031 -8.081 -1.696 1.00 0.00 C ATOM 0 H ILE A 26 -2.968 -10.911 -2.385 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.972 -8.932 -2.364 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.257 -9.506 -0.430 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.206 -7.315 -2.493 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.582 -8.951 -2.997 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.012 -7.156 0.265 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.552 -8.105 0.629 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.572 -7.003 -0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.624 -7.690 -2.523 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.442 -9.039 -1.376 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.061 -7.377 -0.864 1.00 0.00 H new ATOM 341 N LYS A 27 -0.886 -11.144 0.080 1.00 0.00 N ATOM 342 CA LYS A 27 -0.063 -11.676 1.159 1.00 0.00 C ATOM 343 C LYS A 27 1.276 -12.175 0.626 1.00 0.00 C ATOM 344 O LYS A 27 2.334 -11.675 1.008 1.00 0.00 O ATOM 345 CB LYS A 27 -0.796 -12.814 1.873 1.00 0.00 C ATOM 346 CG LYS A 27 -0.181 -13.189 3.210 1.00 0.00 C ATOM 347 CD LYS A 27 -0.518 -14.619 3.598 1.00 0.00 C ATOM 348 CE LYS A 27 -1.959 -14.744 4.069 1.00 0.00 C ATOM 349 NZ LYS A 27 -2.200 -16.030 4.780 1.00 0.00 N ATOM 0 H LYS A 27 -1.720 -11.695 -0.125 1.00 0.00 H new ATOM 0 HA LYS A 27 0.126 -10.871 1.870 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.835 -12.524 2.029 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.804 -13.692 1.227 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.901 -13.070 3.160 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.541 -12.508 3.981 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.355 -15.277 2.744 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.155 -14.951 4.389 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.198 -13.912 4.732 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.629 -14.672 3.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.193 -16.077 5.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.996 -16.824 4.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.579 -16.088 5.612 1.00 0.00 H new ATOM 363 N LYS A 28 1.224 -13.164 -0.260 1.00 0.00 N ATOM 364 CA LYS A 28 2.432 -13.730 -0.849 1.00 0.00 C ATOM 365 C LYS A 28 3.295 -12.638 -1.474 1.00 0.00 C ATOM 366 O LYS A 28 4.522 -12.681 -1.392 1.00 0.00 O ATOM 367 CB LYS A 28 2.068 -14.775 -1.906 1.00 0.00 C ATOM 368 CG LYS A 28 1.469 -14.180 -3.169 1.00 0.00 C ATOM 369 CD LYS A 28 2.540 -13.864 -4.199 1.00 0.00 C ATOM 370 CE LYS A 28 1.963 -13.117 -5.392 1.00 0.00 C ATOM 371 NZ LYS A 28 3.026 -12.670 -6.333 1.00 0.00 N ATOM 0 H LYS A 28 0.357 -13.591 -0.586 1.00 0.00 H new ATOM 0 HA LYS A 28 3.003 -14.210 -0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.962 -15.340 -2.169 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.359 -15.483 -1.476 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.748 -14.878 -3.595 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.923 -13.270 -2.920 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.324 -13.264 -3.738 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.005 -14.790 -4.538 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.259 -13.762 -5.919 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.401 -12.251 -5.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.592 -12.165 -7.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.683 -12.034 -5.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.546 -13.498 -6.688 1.00 0.00 H new ATOM 385 N ALA A 29 2.645 -11.660 -2.097 1.00 0.00 N ATOM 386 CA ALA A 29 3.354 -10.556 -2.732 1.00 0.00 C ATOM 387 C ALA A 29 4.128 -9.738 -1.705 1.00 0.00 C ATOM 388 O ALA A 29 5.305 -9.433 -1.900 1.00 0.00 O ATOM 389 CB ALA A 29 2.377 -9.669 -3.489 1.00 0.00 C ATOM 0 H ALA A 29 1.629 -11.610 -2.175 1.00 0.00 H new ATOM 0 HA ALA A 29 4.071 -10.974 -3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.919 -8.848 -3.959 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.872 -10.256 -4.256 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.639 -9.266 -2.796 1.00 0.00 H new ATOM 395 N TYR A 30 3.461 -9.384 -0.612 1.00 0.00 N ATOM 396 CA TYR A 30 4.086 -8.597 0.444 1.00 0.00 C ATOM 397 C TYR A 30 5.357 -9.275 0.948 1.00 0.00 C ATOM 398 O TYR A 30 6.453 -8.726 0.837 1.00 0.00 O ATOM 399 CB TYR A 30 3.109 -8.393 1.603 1.00 0.00 C ATOM 400 CG TYR A 30 3.789 -8.149 2.932 1.00 0.00 C ATOM 401 CD1 TYR A 30 4.328 -6.907 3.240 1.00 0.00 C ATOM 402 CD2 TYR A 30 3.889 -9.161 3.879 1.00 0.00 C ATOM 403 CE1 TYR A 30 4.951 -6.679 4.453 1.00 0.00 C ATOM 404 CE2 TYR A 30 4.508 -8.942 5.095 1.00 0.00 C ATOM 405 CZ TYR A 30 5.038 -7.700 5.376 1.00 0.00 C ATOM 406 OH TYR A 30 5.655 -7.477 6.586 1.00 0.00 O ATOM 0 H TYR A 30 2.487 -9.630 -0.434 1.00 0.00 H new ATOM 0 HA TYR A 30 4.354 -7.625 0.029 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.460 -7.547 1.376 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.470 -9.272 1.687 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.259 -6.105 2.520 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.476 -10.135 3.661 1.00 0.00 H new ATOM 0 HE1 TYR A 30 5.367 -5.708 4.676 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.576 -9.739 5.821 1.00 0.00 H new ATOM 0 HH TYR A 30 5.631 -8.297 7.122 1.00 0.00 H new ATOM 416 N ARG A 31 5.201 -10.473 1.503 1.00 0.00 N ATOM 417 CA ARG A 31 6.334 -11.226 2.025 1.00 0.00 C ATOM 418 C ARG A 31 7.581 -10.989 1.179 1.00 0.00 C ATOM 419 O ARG A 31 8.589 -10.479 1.668 1.00 0.00 O ATOM 420 CB ARG A 31 6.006 -12.720 2.063 1.00 0.00 C ATOM 421 CG ARG A 31 4.836 -13.064 2.969 1.00 0.00 C ATOM 422 CD ARG A 31 4.963 -14.471 3.534 1.00 0.00 C ATOM 423 NE ARG A 31 5.738 -14.496 4.771 1.00 0.00 N ATOM 424 CZ ARG A 31 6.157 -15.614 5.353 1.00 0.00 C ATOM 425 NH1 ARG A 31 5.877 -16.792 4.813 1.00 0.00 N ATOM 426 NH2 ARG A 31 6.858 -15.555 6.479 1.00 0.00 N ATOM 0 H ARG A 31 4.301 -10.942 1.602 1.00 0.00 H new ATOM 0 HA ARG A 31 6.533 -10.879 3.039 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.784 -13.060 1.052 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.887 -13.268 2.397 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.785 -12.346 3.787 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.904 -12.978 2.410 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.969 -14.878 3.721 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.438 -15.117 2.795 1.00 0.00 H new ATOM 0 HE ARG A 31 5.970 -13.606 5.212 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.338 -16.842 3.948 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.200 -17.649 5.262 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.075 -14.651 6.898 1.00 0.00 H new ATOM 0 HH22 ARG A 31 7.179 -16.414 6.925 1.00 0.00 H new ATOM 440 N LYS A 32 7.506 -11.364 -0.094 1.00 0.00 N ATOM 441 CA LYS A 32 8.627 -11.192 -1.010 1.00 0.00 C ATOM 442 C LYS A 32 9.019 -9.722 -1.121 1.00 0.00 C ATOM 443 O LYS A 32 10.187 -9.366 -0.957 1.00 0.00 O ATOM 444 CB LYS A 32 8.271 -11.742 -2.393 1.00 0.00 C ATOM 445 CG LYS A 32 7.763 -13.173 -2.366 1.00 0.00 C ATOM 446 CD LYS A 32 8.851 -14.143 -1.937 1.00 0.00 C ATOM 447 CE LYS A 32 9.635 -14.666 -3.132 1.00 0.00 C ATOM 448 NZ LYS A 32 10.568 -15.760 -2.747 1.00 0.00 N ATOM 0 H LYS A 32 6.680 -11.789 -0.515 1.00 0.00 H new ATOM 0 HA LYS A 32 9.477 -11.747 -0.613 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.511 -11.104 -2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.152 -11.690 -3.033 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.918 -13.247 -1.682 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.398 -13.449 -3.355 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.530 -13.646 -1.244 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.403 -14.979 -1.400 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.942 -15.030 -3.890 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.199 -13.849 -3.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.083 -16.089 -3.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.246 -15.406 -2.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.028 -16.550 -2.341 1.00 0.00 H new ATOM 462 N LEU A 33 8.036 -8.872 -1.398 1.00 0.00 N ATOM 463 CA LEU A 33 8.278 -7.440 -1.530 1.00 0.00 C ATOM 464 C LEU A 33 9.115 -6.920 -0.365 1.00 0.00 C ATOM 465 O LEU A 33 10.231 -6.438 -0.556 1.00 0.00 O ATOM 466 CB LEU A 33 6.951 -6.682 -1.597 1.00 0.00 C ATOM 467 CG LEU A 33 6.167 -6.817 -2.902 1.00 0.00 C ATOM 468 CD1 LEU A 33 4.736 -6.336 -2.718 1.00 0.00 C ATOM 469 CD2 LEU A 33 6.852 -6.042 -4.018 1.00 0.00 C ATOM 0 H LEU A 33 7.064 -9.150 -1.535 1.00 0.00 H new ATOM 0 HA LEU A 33 8.831 -7.274 -2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.318 -7.025 -0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.150 -5.624 -1.424 1.00 0.00 H new ATOM 0 HG LEU A 33 6.141 -7.871 -3.180 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.194 -6.440 -3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.247 -6.934 -1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.740 -5.289 -2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.280 -6.149 -4.940 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.909 -4.988 -3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.858 -6.433 -4.168 1.00 0.00 H new ATOM 481 N ALA A 34 8.569 -7.023 0.842 1.00 0.00 N ATOM 482 CA ALA A 34 9.266 -6.568 2.038 1.00 0.00 C ATOM 483 C ALA A 34 10.767 -6.810 1.924 1.00 0.00 C ATOM 484 O ALA A 34 11.574 -5.933 2.234 1.00 0.00 O ATOM 485 CB ALA A 34 8.709 -7.263 3.271 1.00 0.00 C ATOM 0 H ALA A 34 7.645 -7.418 1.017 1.00 0.00 H new ATOM 0 HA ALA A 34 9.104 -5.495 2.136 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.239 -6.913 4.157 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.648 -7.034 3.369 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.840 -8.341 3.172 1.00 0.00 H new ATOM 491 N LEU A 35 11.136 -8.006 1.478 1.00 0.00 N ATOM 492 CA LEU A 35 12.542 -8.365 1.324 1.00 0.00 C ATOM 493 C LEU A 35 13.150 -7.674 0.107 1.00 0.00 C ATOM 494 O LEU A 35 14.291 -7.212 0.149 1.00 0.00 O ATOM 495 CB LEU A 35 12.689 -9.882 1.189 1.00 0.00 C ATOM 496 CG LEU A 35 12.830 -10.661 2.497 1.00 0.00 C ATOM 497 CD1 LEU A 35 12.655 -12.152 2.252 1.00 0.00 C ATOM 498 CD2 LEU A 35 14.178 -10.380 3.144 1.00 0.00 C ATOM 0 H LEU A 35 10.482 -8.743 1.217 1.00 0.00 H new ATOM 0 HA LEU A 35 13.077 -8.031 2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.821 -10.265 0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.562 -10.089 0.570 1.00 0.00 H new ATOM 0 HG LEU A 35 12.047 -10.331 3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.759 -12.690 3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.666 -12.338 1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.415 -12.497 1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 35 14.260 -10.943 4.074 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.977 -10.681 2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.265 -9.314 3.357 1.00 0.00 H new ATOM 510 N ARG A 36 12.380 -7.603 -0.973 1.00 0.00 N ATOM 511 CA ARG A 36 12.842 -6.967 -2.201 1.00 0.00 C ATOM 512 C ARG A 36 13.188 -5.501 -1.957 1.00 0.00 C ATOM 513 O ARG A 36 14.301 -5.060 -2.243 1.00 0.00 O ATOM 514 CB ARG A 36 11.774 -7.075 -3.290 1.00 0.00 C ATOM 515 CG ARG A 36 12.169 -6.412 -4.599 1.00 0.00 C ATOM 516 CD ARG A 36 11.542 -7.115 -5.793 1.00 0.00 C ATOM 517 NE ARG A 36 11.884 -6.464 -7.054 1.00 0.00 N ATOM 518 CZ ARG A 36 11.203 -5.442 -7.561 1.00 0.00 C ATOM 519 NH1 ARG A 36 10.151 -4.957 -6.918 1.00 0.00 N ATOM 520 NH2 ARG A 36 11.576 -4.902 -8.715 1.00 0.00 N ATOM 0 H ARG A 36 11.433 -7.978 -1.023 1.00 0.00 H new ATOM 0 HA ARG A 36 13.742 -7.485 -2.532 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.562 -8.128 -3.476 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.851 -6.623 -2.928 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.859 -5.367 -4.587 1.00 0.00 H new ATOM 0 HG3 ARG A 36 13.254 -6.421 -4.699 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.875 -8.152 -5.819 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.458 -7.131 -5.676 1.00 0.00 H new ATOM 0 HE ARG A 36 12.689 -6.813 -7.574 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.861 -5.368 -6.031 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.631 -4.172 -7.310 1.00 0.00 H new ATOM 0 HH21 ARG A 36 12.386 -5.272 -9.213 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.053 -4.117 -9.104 1.00 0.00 H new ATOM 534 N TRP A 37 12.228 -4.753 -1.427 1.00 0.00 N ATOM 535 CA TRP A 37 12.431 -3.336 -1.144 1.00 0.00 C ATOM 536 C TRP A 37 13.190 -3.146 0.164 1.00 0.00 C ATOM 537 O TRP A 37 13.257 -2.038 0.699 1.00 0.00 O ATOM 538 CB TRP A 37 11.086 -2.610 -1.079 1.00 0.00 C ATOM 539 CG TRP A 37 10.554 -2.224 -2.425 1.00 0.00 C ATOM 540 CD1 TRP A 37 9.467 -2.755 -3.059 1.00 0.00 C ATOM 541 CD2 TRP A 37 11.086 -1.227 -3.304 1.00 0.00 C ATOM 542 NE1 TRP A 37 9.291 -2.147 -4.279 1.00 0.00 N ATOM 543 CE2 TRP A 37 10.270 -1.205 -4.452 1.00 0.00 C ATOM 544 CE3 TRP A 37 12.170 -0.348 -3.231 1.00 0.00 C ATOM 545 CZ2 TRP A 37 10.508 -0.340 -5.517 1.00 0.00 C ATOM 546 CZ3 TRP A 37 12.404 0.510 -4.289 1.00 0.00 C ATOM 547 CH2 TRP A 37 11.576 0.509 -5.419 1.00 0.00 C ATOM 0 H TRP A 37 11.301 -5.103 -1.184 1.00 0.00 H new ATOM 0 HA TRP A 37 13.026 -2.911 -1.952 1.00 0.00 H new ATOM 0 HB2 TRP A 37 10.359 -3.250 -0.579 1.00 0.00 H new ATOM 0 HB3 TRP A 37 11.194 -1.714 -0.468 1.00 0.00 H new ATOM 0 HD1 TRP A 37 8.838 -3.537 -2.660 1.00 0.00 H new ATOM 0 HE1 TRP A 37 8.551 -2.362 -4.947 1.00 0.00 H new ATOM 0 HE3 TRP A 37 12.813 -0.339 -2.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 9.872 -0.339 -6.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 13.239 1.193 -4.244 1.00 0.00 H new ATOM 0 HH2 TRP A 37 11.785 1.192 -6.229 1.00 0.00 H new ATOM 558 N HIS A 38 13.762 -4.231 0.676 1.00 0.00 N ATOM 559 CA HIS A 38 14.517 -4.182 1.923 1.00 0.00 C ATOM 560 C HIS A 38 15.769 -3.324 1.766 1.00 0.00 C ATOM 561 O HIS A 38 16.455 -3.365 0.744 1.00 0.00 O ATOM 562 CB HIS A 38 14.904 -5.594 2.365 1.00 0.00 C ATOM 563 CG HIS A 38 15.174 -5.708 3.834 1.00 0.00 C ATOM 564 ND1 HIS A 38 16.399 -5.421 4.398 1.00 0.00 N ATOM 565 CD2 HIS A 38 14.368 -6.080 4.856 1.00 0.00 C ATOM 566 CE1 HIS A 38 16.335 -5.612 5.704 1.00 0.00 C ATOM 567 NE2 HIS A 38 15.113 -6.012 6.007 1.00 0.00 N ATOM 0 H HIS A 38 13.717 -5.155 0.247 1.00 0.00 H new ATOM 0 HA HIS A 38 13.882 -3.732 2.686 1.00 0.00 H new ATOM 0 HB2 HIS A 38 14.103 -6.282 2.097 1.00 0.00 H new ATOM 0 HB3 HIS A 38 15.791 -5.908 1.815 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.332 -6.375 4.780 1.00 0.00 H new ATOM 0 HE1 HIS A 38 17.144 -5.466 6.404 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.777 -6.234 6.944 1.00 0.00 H new ATOM 575 N PRO A 39 16.075 -2.528 2.801 1.00 0.00 N ATOM 576 CA PRO A 39 17.245 -1.645 2.801 1.00 0.00 C ATOM 577 C PRO A 39 18.556 -2.420 2.884 1.00 0.00 C ATOM 578 O PRO A 39 19.534 -2.077 2.219 1.00 0.00 O ATOM 579 CB PRO A 39 17.047 -0.794 4.058 1.00 0.00 C ATOM 580 CG PRO A 39 16.203 -1.633 4.955 1.00 0.00 C ATOM 581 CD PRO A 39 15.302 -2.428 4.050 1.00 0.00 C ATOM 0 HA PRO A 39 17.316 -1.063 1.882 1.00 0.00 H new ATOM 0 HB2 PRO A 39 18.001 -0.551 4.526 1.00 0.00 H new ATOM 0 HB3 PRO A 39 16.557 0.151 3.823 1.00 0.00 H new ATOM 0 HG2 PRO A 39 16.819 -2.291 5.568 1.00 0.00 H new ATOM 0 HG3 PRO A 39 15.622 -1.013 5.637 1.00 0.00 H new ATOM 0 HD2 PRO A 39 15.081 -3.411 4.466 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.347 -1.927 3.892 1.00 0.00 H new ATOM 589 N ASP A 40 18.568 -3.466 3.703 1.00 0.00 N ATOM 590 CA ASP A 40 19.759 -4.291 3.871 1.00 0.00 C ATOM 591 C ASP A 40 20.114 -5.004 2.570 1.00 0.00 C ATOM 592 O ASP A 40 21.289 -5.168 2.239 1.00 0.00 O ATOM 593 CB ASP A 40 19.543 -5.315 4.986 1.00 0.00 C ATOM 594 CG ASP A 40 20.848 -5.797 5.590 1.00 0.00 C ATOM 595 OD1 ASP A 40 21.770 -6.135 4.819 1.00 0.00 O ATOM 596 OD2 ASP A 40 20.946 -5.835 6.834 1.00 0.00 O ATOM 0 H ASP A 40 17.767 -3.763 4.261 1.00 0.00 H new ATOM 0 HA ASP A 40 20.588 -3.638 4.144 1.00 0.00 H new ATOM 0 HB2 ASP A 40 18.926 -4.872 5.768 1.00 0.00 H new ATOM 0 HB3 ASP A 40 18.992 -6.168 4.590 1.00 0.00 H new ATOM 601 N LYS A 41 19.091 -5.428 1.836 1.00 0.00 N ATOM 602 CA LYS A 41 19.293 -6.125 0.571 1.00 0.00 C ATOM 603 C LYS A 41 19.794 -5.166 -0.504 1.00 0.00 C ATOM 604 O LYS A 41 20.385 -5.586 -1.498 1.00 0.00 O ATOM 605 CB LYS A 41 17.989 -6.783 0.114 1.00 0.00 C ATOM 606 CG LYS A 41 17.612 -8.012 0.923 1.00 0.00 C ATOM 607 CD LYS A 41 18.517 -9.190 0.604 1.00 0.00 C ATOM 608 CE LYS A 41 18.016 -9.966 -0.604 1.00 0.00 C ATOM 609 NZ LYS A 41 19.118 -10.695 -1.291 1.00 0.00 N ATOM 0 H LYS A 41 18.113 -5.301 2.096 1.00 0.00 H new ATOM 0 HA LYS A 41 20.048 -6.896 0.726 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.182 -6.054 0.179 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.082 -7.063 -0.935 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.675 -7.782 1.987 1.00 0.00 H new ATOM 0 HG3 LYS A 41 16.576 -8.281 0.716 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.529 -8.832 0.414 1.00 0.00 H new ATOM 0 HD3 LYS A 41 18.571 -9.853 1.467 1.00 0.00 H new ATOM 0 HE2 LYS A 41 17.252 -10.677 -0.288 1.00 0.00 H new ATOM 0 HE3 LYS A 41 17.542 -9.280 -1.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 18.736 -11.211 -2.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 19.835 -10.015 -1.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.554 -11.369 -0.629 1.00 0.00 H new ATOM 623 N ASN A 42 19.556 -3.874 -0.297 1.00 0.00 N ATOM 624 CA ASN A 42 19.985 -2.856 -1.248 1.00 0.00 C ATOM 625 C ASN A 42 21.147 -2.042 -0.687 1.00 0.00 C ATOM 626 O ASN A 42 20.969 -1.152 0.145 1.00 0.00 O ATOM 627 CB ASN A 42 18.818 -1.928 -1.594 1.00 0.00 C ATOM 628 CG ASN A 42 17.769 -2.613 -2.448 1.00 0.00 C ATOM 629 OD1 ASN A 42 17.995 -2.892 -3.626 1.00 0.00 O ATOM 630 ND2 ASN A 42 16.612 -2.888 -1.856 1.00 0.00 N ATOM 0 H ASN A 42 19.068 -3.508 0.521 1.00 0.00 H new ATOM 0 HA ASN A 42 20.322 -3.360 -2.154 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.356 -1.570 -0.674 1.00 0.00 H new ATOM 0 HB3 ASN A 42 19.197 -1.053 -2.121 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.868 -3.348 -2.380 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.468 -2.639 -0.877 1.00 0.00 H new ATOM 637 N PRO A 43 22.366 -2.353 -1.153 1.00 0.00 N ATOM 638 CA PRO A 43 23.581 -1.661 -0.712 1.00 0.00 C ATOM 639 C PRO A 43 23.647 -0.225 -1.218 1.00 0.00 C ATOM 640 O PRO A 43 23.870 0.707 -0.445 1.00 0.00 O ATOM 641 CB PRO A 43 24.707 -2.497 -1.327 1.00 0.00 C ATOM 642 CG PRO A 43 24.088 -3.153 -2.513 1.00 0.00 C ATOM 643 CD PRO A 43 22.652 -3.402 -2.145 1.00 0.00 C ATOM 0 HA PRO A 43 23.634 -1.582 0.374 1.00 0.00 H new ATOM 0 HB2 PRO A 43 25.552 -1.872 -1.616 1.00 0.00 H new ATOM 0 HB3 PRO A 43 25.085 -3.235 -0.619 1.00 0.00 H new ATOM 0 HG2 PRO A 43 24.160 -2.515 -3.394 1.00 0.00 H new ATOM 0 HG3 PRO A 43 24.597 -4.087 -2.753 1.00 0.00 H new ATOM 0 HD2 PRO A 43 21.996 -3.324 -3.012 1.00 0.00 H new ATOM 0 HD3 PRO A 43 22.512 -4.399 -1.727 1.00 0.00 H new ATOM 651 N ASP A 44 23.451 -0.052 -2.521 1.00 0.00 N ATOM 652 CA ASP A 44 23.486 1.272 -3.130 1.00 0.00 C ATOM 653 C ASP A 44 22.538 2.227 -2.412 1.00 0.00 C ATOM 654 O ASP A 44 22.954 3.272 -1.913 1.00 0.00 O ATOM 655 CB ASP A 44 23.117 1.185 -4.612 1.00 0.00 C ATOM 656 CG ASP A 44 24.217 0.563 -5.448 1.00 0.00 C ATOM 657 OD1 ASP A 44 24.402 -0.670 -5.363 1.00 0.00 O ATOM 658 OD2 ASP A 44 24.894 1.308 -6.187 1.00 0.00 O ATOM 0 H ASP A 44 23.266 -0.812 -3.175 1.00 0.00 H new ATOM 0 HA ASP A 44 24.501 1.660 -3.038 1.00 0.00 H new ATOM 0 HB2 ASP A 44 22.205 0.598 -4.722 1.00 0.00 H new ATOM 0 HB3 ASP A 44 22.900 2.185 -4.988 1.00 0.00 H new ATOM 663 N ASN A 45 21.261 1.860 -2.364 1.00 0.00 N ATOM 664 CA ASN A 45 20.253 2.685 -1.708 1.00 0.00 C ATOM 665 C ASN A 45 19.621 1.941 -0.535 1.00 0.00 C ATOM 666 O ASN A 45 18.860 0.992 -0.725 1.00 0.00 O ATOM 667 CB ASN A 45 19.171 3.096 -2.708 1.00 0.00 C ATOM 668 CG ASN A 45 18.632 1.916 -3.495 1.00 0.00 C ATOM 669 OD1 ASN A 45 19.322 1.357 -4.347 1.00 0.00 O ATOM 670 ND2 ASN A 45 17.392 1.533 -3.211 1.00 0.00 N ATOM 0 H ASN A 45 20.900 0.997 -2.771 1.00 0.00 H new ATOM 0 HA ASN A 45 20.744 3.580 -1.326 1.00 0.00 H new ATOM 0 HB2 ASN A 45 18.352 3.578 -2.175 1.00 0.00 H new ATOM 0 HB3 ASN A 45 19.580 3.834 -3.399 1.00 0.00 H new ATOM 0 HD21 ASN A 45 16.975 0.746 -3.708 1.00 0.00 H new ATOM 0 HD22 ASN A 45 16.857 2.026 -2.496 1.00 0.00 H new ATOM 677 N LYS A 46 19.942 2.379 0.677 1.00 0.00 N ATOM 678 CA LYS A 46 19.405 1.758 1.882 1.00 0.00 C ATOM 679 C LYS A 46 18.139 2.472 2.345 1.00 0.00 C ATOM 680 O LYS A 46 17.099 1.845 2.542 1.00 0.00 O ATOM 681 CB LYS A 46 20.451 1.776 3.000 1.00 0.00 C ATOM 682 CG LYS A 46 21.395 0.587 2.968 1.00 0.00 C ATOM 683 CD LYS A 46 22.760 0.943 3.535 1.00 0.00 C ATOM 684 CE LYS A 46 23.570 -0.302 3.859 1.00 0.00 C ATOM 685 NZ LYS A 46 24.961 0.034 4.272 1.00 0.00 N ATOM 0 H LYS A 46 20.572 3.162 0.851 1.00 0.00 H new ATOM 0 HA LYS A 46 19.152 0.724 1.645 1.00 0.00 H new ATOM 0 HB2 LYS A 46 21.034 2.694 2.926 1.00 0.00 H new ATOM 0 HB3 LYS A 46 19.941 1.799 3.963 1.00 0.00 H new ATOM 0 HG2 LYS A 46 20.965 -0.235 3.540 1.00 0.00 H new ATOM 0 HG3 LYS A 46 21.506 0.237 1.942 1.00 0.00 H new ATOM 0 HD2 LYS A 46 23.305 1.556 2.817 1.00 0.00 H new ATOM 0 HD3 LYS A 46 22.636 1.542 4.437 1.00 0.00 H new ATOM 0 HE2 LYS A 46 23.078 -0.858 4.657 1.00 0.00 H new ATOM 0 HE3 LYS A 46 23.598 -0.955 2.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 25.481 -0.841 4.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 25.439 0.542 3.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 24.936 0.636 5.120 1.00 0.00 H new ATOM 699 N GLU A 47 18.235 3.787 2.516 1.00 0.00 N ATOM 700 CA GLU A 47 17.097 4.585 2.955 1.00 0.00 C ATOM 701 C GLU A 47 15.918 4.422 2.000 1.00 0.00 C ATOM 702 O GLU A 47 14.834 3.999 2.403 1.00 0.00 O ATOM 703 CB GLU A 47 17.487 6.061 3.052 1.00 0.00 C ATOM 704 CG GLU A 47 16.462 6.915 3.780 1.00 0.00 C ATOM 705 CD GLU A 47 17.028 8.248 4.230 1.00 0.00 C ATOM 706 OE1 GLU A 47 17.540 8.995 3.370 1.00 0.00 O ATOM 707 OE2 GLU A 47 16.958 8.544 5.441 1.00 0.00 O ATOM 0 H GLU A 47 19.089 4.322 2.357 1.00 0.00 H new ATOM 0 HA GLU A 47 16.797 4.230 3.941 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.445 6.142 3.565 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.629 6.457 2.047 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.609 7.089 3.125 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.091 6.370 4.648 1.00 0.00 H new ATOM 714 N GLU A 48 16.138 4.760 0.733 1.00 0.00 N ATOM 715 CA GLU A 48 15.093 4.652 -0.278 1.00 0.00 C ATOM 716 C GLU A 48 14.278 3.377 -0.085 1.00 0.00 C ATOM 717 O GLU A 48 13.062 3.426 0.095 1.00 0.00 O ATOM 718 CB GLU A 48 15.706 4.671 -1.680 1.00 0.00 C ATOM 719 CG GLU A 48 14.674 4.719 -2.795 1.00 0.00 C ATOM 720 CD GLU A 48 15.183 5.437 -4.030 1.00 0.00 C ATOM 721 OE1 GLU A 48 15.891 6.453 -3.875 1.00 0.00 O ATOM 722 OE2 GLU A 48 14.872 4.982 -5.151 1.00 0.00 O ATOM 0 H GLU A 48 17.030 5.111 0.383 1.00 0.00 H new ATOM 0 HA GLU A 48 14.427 5.508 -0.168 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.364 5.535 -1.768 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.326 3.784 -1.808 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.386 3.702 -3.063 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.776 5.219 -2.433 1.00 0.00 H new ATOM 729 N ALA A 49 14.958 2.235 -0.124 1.00 0.00 N ATOM 730 CA ALA A 49 14.298 0.947 0.049 1.00 0.00 C ATOM 731 C ALA A 49 13.594 0.867 1.399 1.00 0.00 C ATOM 732 O ALA A 49 12.478 0.359 1.497 1.00 0.00 O ATOM 733 CB ALA A 49 15.306 -0.185 -0.092 1.00 0.00 C ATOM 0 H ALA A 49 15.965 2.176 -0.274 1.00 0.00 H new ATOM 0 HA ALA A 49 13.543 0.846 -0.730 1.00 0.00 H new ATOM 0 HB1 ALA A 49 14.800 -1.141 0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 49 15.759 -0.147 -1.083 1.00 0.00 H new ATOM 0 HB3 ALA A 49 16.082 -0.078 0.666 1.00 0.00 H new ATOM 739 N GLU A 50 14.255 1.371 2.437 1.00 0.00 N ATOM 740 CA GLU A 50 13.692 1.353 3.781 1.00 0.00 C ATOM 741 C GLU A 50 12.255 1.866 3.776 1.00 0.00 C ATOM 742 O GLU A 50 11.354 1.227 4.319 1.00 0.00 O ATOM 743 CB GLU A 50 14.544 2.204 4.726 1.00 0.00 C ATOM 744 CG GLU A 50 14.486 1.749 6.175 1.00 0.00 C ATOM 745 CD GLU A 50 15.350 2.596 7.088 1.00 0.00 C ATOM 746 OE1 GLU A 50 16.387 3.108 6.615 1.00 0.00 O ATOM 747 OE2 GLU A 50 14.991 2.747 8.274 1.00 0.00 O ATOM 0 H GLU A 50 15.180 1.796 2.372 1.00 0.00 H new ATOM 0 HA GLU A 50 13.691 0.321 4.133 1.00 0.00 H new ATOM 0 HB2 GLU A 50 15.580 2.180 4.388 1.00 0.00 H new ATOM 0 HB3 GLU A 50 14.213 3.241 4.666 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.453 1.785 6.522 1.00 0.00 H new ATOM 0 HG3 GLU A 50 14.807 0.709 6.238 1.00 0.00 H new ATOM 754 N LYS A 51 12.048 3.023 3.158 1.00 0.00 N ATOM 755 CA LYS A 51 10.721 3.623 3.079 1.00 0.00 C ATOM 756 C LYS A 51 9.719 2.649 2.468 1.00 0.00 C ATOM 757 O LYS A 51 8.687 2.346 3.067 1.00 0.00 O ATOM 758 CB LYS A 51 10.768 4.909 2.251 1.00 0.00 C ATOM 759 CG LYS A 51 9.401 5.521 1.999 1.00 0.00 C ATOM 760 CD LYS A 51 8.814 5.048 0.679 1.00 0.00 C ATOM 761 CE LYS A 51 9.561 5.638 -0.507 1.00 0.00 C ATOM 762 NZ LYS A 51 8.961 6.925 -0.957 1.00 0.00 N ATOM 0 H LYS A 51 12.783 3.565 2.704 1.00 0.00 H new ATOM 0 HA LYS A 51 10.397 3.862 4.092 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.394 5.639 2.764 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.244 4.697 1.294 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.727 5.257 2.814 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.483 6.608 1.993 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.854 3.960 0.631 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.763 5.331 0.625 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.604 5.799 -0.235 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.553 4.926 -1.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.499 7.294 -1.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.973 6.767 -1.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.992 7.613 -0.178 1.00 0.00 H new ATOM 776 N LYS A 52 10.030 2.159 1.273 1.00 0.00 N ATOM 777 CA LYS A 52 9.159 1.217 0.581 1.00 0.00 C ATOM 778 C LYS A 52 8.757 0.070 1.503 1.00 0.00 C ATOM 779 O LYS A 52 7.626 -0.413 1.453 1.00 0.00 O ATOM 780 CB LYS A 52 9.857 0.664 -0.664 1.00 0.00 C ATOM 781 CG LYS A 52 10.010 1.685 -1.779 1.00 0.00 C ATOM 782 CD LYS A 52 8.772 1.740 -2.658 1.00 0.00 C ATOM 783 CE LYS A 52 8.750 2.999 -3.511 1.00 0.00 C ATOM 784 NZ LYS A 52 7.476 3.132 -4.270 1.00 0.00 N ATOM 0 H LYS A 52 10.880 2.399 0.763 1.00 0.00 H new ATOM 0 HA LYS A 52 8.258 1.750 0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.843 0.294 -0.383 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.291 -0.189 -1.039 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.196 2.669 -1.349 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.879 1.433 -2.388 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.743 0.862 -3.303 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.879 1.707 -2.034 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.886 3.872 -2.873 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.588 2.980 -4.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.500 4.002 -4.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.359 2.311 -4.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.678 3.176 -3.604 1.00 0.00 H new ATOM 798 N PHE A 53 9.691 -0.362 2.344 1.00 0.00 N ATOM 799 CA PHE A 53 9.434 -1.452 3.278 1.00 0.00 C ATOM 800 C PHE A 53 8.225 -1.142 4.157 1.00 0.00 C ATOM 801 O PHE A 53 7.421 -2.023 4.460 1.00 0.00 O ATOM 802 CB PHE A 53 10.664 -1.703 4.153 1.00 0.00 C ATOM 803 CG PHE A 53 10.541 -2.921 5.023 1.00 0.00 C ATOM 804 CD1 PHE A 53 10.488 -4.187 4.463 1.00 0.00 C ATOM 805 CD2 PHE A 53 10.480 -2.800 6.402 1.00 0.00 C ATOM 806 CE1 PHE A 53 10.374 -5.309 5.262 1.00 0.00 C ATOM 807 CE2 PHE A 53 10.367 -3.918 7.206 1.00 0.00 C ATOM 808 CZ PHE A 53 10.315 -5.175 6.635 1.00 0.00 C ATOM 0 H PHE A 53 10.633 0.026 2.398 1.00 0.00 H new ATOM 0 HA PHE A 53 9.219 -2.350 2.699 1.00 0.00 H new ATOM 0 HB2 PHE A 53 11.540 -1.810 3.513 1.00 0.00 H new ATOM 0 HB3 PHE A 53 10.835 -0.831 4.784 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.536 -4.299 3.390 1.00 0.00 H new ATOM 0 HD2 PHE A 53 10.521 -1.820 6.854 1.00 0.00 H new ATOM 0 HE1 PHE A 53 10.331 -6.290 4.813 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.319 -3.809 8.279 1.00 0.00 H new ATOM 0 HZ PHE A 53 10.228 -6.051 7.261 1.00 0.00 H new ATOM 818 N LYS A 54 8.105 0.118 4.564 1.00 0.00 N ATOM 819 CA LYS A 54 6.996 0.547 5.407 1.00 0.00 C ATOM 820 C LYS A 54 5.698 0.611 4.609 1.00 0.00 C ATOM 821 O LYS A 54 4.632 0.249 5.108 1.00 0.00 O ATOM 822 CB LYS A 54 7.297 1.915 6.023 1.00 0.00 C ATOM 823 CG LYS A 54 6.496 2.206 7.280 1.00 0.00 C ATOM 824 CD LYS A 54 5.132 2.790 6.950 1.00 0.00 C ATOM 825 CE LYS A 54 4.414 3.271 8.202 1.00 0.00 C ATOM 826 NZ LYS A 54 2.956 3.461 7.967 1.00 0.00 N ATOM 0 H LYS A 54 8.763 0.859 4.323 1.00 0.00 H new ATOM 0 HA LYS A 54 6.875 -0.185 6.205 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.360 1.972 6.258 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.092 2.690 5.284 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.370 1.287 7.853 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.048 2.903 7.911 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.249 3.621 6.255 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.525 2.037 6.447 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.561 2.549 9.005 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.854 4.211 8.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.543 3.991 8.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.813 3.992 7.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.493 2.533 7.892 1.00 0.00 H new ATOM 840 N LEU A 55 5.796 1.072 3.366 1.00 0.00 N ATOM 841 CA LEU A 55 4.629 1.181 2.498 1.00 0.00 C ATOM 842 C LEU A 55 4.021 -0.191 2.225 1.00 0.00 C ATOM 843 O LEU A 55 2.804 -0.365 2.279 1.00 0.00 O ATOM 844 CB LEU A 55 5.013 1.852 1.178 1.00 0.00 C ATOM 845 CG LEU A 55 5.066 3.381 1.192 1.00 0.00 C ATOM 846 CD1 LEU A 55 3.669 3.962 1.341 1.00 0.00 C ATOM 847 CD2 LEU A 55 5.972 3.872 2.312 1.00 0.00 C ATOM 0 H LEU A 55 6.670 1.376 2.938 1.00 0.00 H new ATOM 0 HA LEU A 55 3.884 1.792 3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.990 1.477 0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.301 1.540 0.414 1.00 0.00 H new ATOM 0 HG LEU A 55 5.479 3.720 0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.727 5.050 1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.049 3.638 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.228 3.615 2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.998 4.962 2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.588 3.522 3.270 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.979 3.484 2.161 1.00 0.00 H new ATOM 859 N VAL A 56 4.878 -1.165 1.935 1.00 0.00 N ATOM 860 CA VAL A 56 4.427 -2.523 1.658 1.00 0.00 C ATOM 861 C VAL A 56 3.825 -3.167 2.902 1.00 0.00 C ATOM 862 O VAL A 56 2.933 -4.010 2.808 1.00 0.00 O ATOM 863 CB VAL A 56 5.581 -3.405 1.144 1.00 0.00 C ATOM 864 CG1 VAL A 56 6.611 -3.628 2.241 1.00 0.00 C ATOM 865 CG2 VAL A 56 5.048 -4.731 0.625 1.00 0.00 C ATOM 0 H VAL A 56 5.889 -1.038 1.886 1.00 0.00 H new ATOM 0 HA VAL A 56 3.663 -2.450 0.884 1.00 0.00 H new ATOM 0 HB VAL A 56 6.070 -2.888 0.318 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.419 -4.253 1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.015 -2.668 2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.138 -4.123 3.089 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.877 -5.341 0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.533 -5.256 1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.351 -4.548 -0.193 1.00 0.00 H new ATOM 875 N SER A 57 4.320 -2.764 4.068 1.00 0.00 N ATOM 876 CA SER A 57 3.833 -3.304 5.332 1.00 0.00 C ATOM 877 C SER A 57 2.479 -2.702 5.695 1.00 0.00 C ATOM 878 O SER A 57 1.619 -3.378 6.258 1.00 0.00 O ATOM 879 CB SER A 57 4.841 -3.029 6.450 1.00 0.00 C ATOM 880 OG SER A 57 4.580 -1.787 7.079 1.00 0.00 O ATOM 0 H SER A 57 5.057 -2.066 4.164 1.00 0.00 H new ATOM 0 HA SER A 57 3.713 -4.381 5.216 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.797 -3.830 7.188 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.851 -3.027 6.041 1.00 0.00 H new ATOM 0 HG SER A 57 4.596 -1.071 6.410 1.00 0.00 H new ATOM 886 N GLU A 58 2.298 -1.427 5.366 1.00 0.00 N ATOM 887 CA GLU A 58 1.049 -0.733 5.658 1.00 0.00 C ATOM 888 C GLU A 58 -0.044 -1.146 4.676 1.00 0.00 C ATOM 889 O GLU A 58 -1.123 -1.580 5.079 1.00 0.00 O ATOM 890 CB GLU A 58 1.255 0.782 5.601 1.00 0.00 C ATOM 891 CG GLU A 58 -0.027 1.578 5.778 1.00 0.00 C ATOM 892 CD GLU A 58 0.135 3.036 5.395 1.00 0.00 C ATOM 893 OE1 GLU A 58 0.764 3.310 4.353 1.00 0.00 O ATOM 894 OE2 GLU A 58 -0.370 3.903 6.139 1.00 0.00 O ATOM 0 H GLU A 58 3.000 -0.854 4.897 1.00 0.00 H new ATOM 0 HA GLU A 58 0.735 -1.011 6.664 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.963 1.073 6.377 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.705 1.043 4.643 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.814 1.132 5.170 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.350 1.513 6.817 1.00 0.00 H new ATOM 901 N ALA A 59 0.243 -1.005 3.386 1.00 0.00 N ATOM 902 CA ALA A 59 -0.714 -1.364 2.347 1.00 0.00 C ATOM 903 C ALA A 59 -1.207 -2.796 2.526 1.00 0.00 C ATOM 904 O ALA A 59 -2.401 -3.071 2.403 1.00 0.00 O ATOM 905 CB ALA A 59 -0.089 -1.187 0.971 1.00 0.00 C ATOM 0 H ALA A 59 1.131 -0.645 3.036 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.573 -0.699 2.432 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.814 -1.459 0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.208 -0.147 0.837 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.788 -1.829 0.884 1.00 0.00 H new ATOM 911 N TYR A 60 -0.282 -3.704 2.815 1.00 0.00 N ATOM 912 CA TYR A 60 -0.623 -5.108 3.007 1.00 0.00 C ATOM 913 C TYR A 60 -1.704 -5.265 4.072 1.00 0.00 C ATOM 914 O TYR A 60 -2.625 -6.068 3.923 1.00 0.00 O ATOM 915 CB TYR A 60 0.620 -5.907 3.405 1.00 0.00 C ATOM 916 CG TYR A 60 0.305 -7.211 4.101 1.00 0.00 C ATOM 917 CD1 TYR A 60 -0.581 -8.124 3.540 1.00 0.00 C ATOM 918 CD2 TYR A 60 0.891 -7.531 5.319 1.00 0.00 C ATOM 919 CE1 TYR A 60 -0.873 -9.317 4.173 1.00 0.00 C ATOM 920 CE2 TYR A 60 0.606 -8.723 5.957 1.00 0.00 C ATOM 921 CZ TYR A 60 -0.276 -9.612 5.381 1.00 0.00 C ATOM 922 OH TYR A 60 -0.564 -10.799 6.015 1.00 0.00 O ATOM 0 H TYR A 60 0.710 -3.493 2.921 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.008 -5.494 2.063 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.209 -6.115 2.512 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.240 -5.296 4.061 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.049 -7.897 2.593 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.581 -6.836 5.775 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.565 -10.015 3.724 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.072 -8.957 6.903 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.060 -10.853 6.854 1.00 0.00 H new ATOM 932 N GLU A 61 -1.584 -4.492 5.147 1.00 0.00 N ATOM 933 CA GLU A 61 -2.550 -4.546 6.237 1.00 0.00 C ATOM 934 C GLU A 61 -3.836 -3.816 5.861 1.00 0.00 C ATOM 935 O GLU A 61 -4.936 -4.336 6.047 1.00 0.00 O ATOM 936 CB GLU A 61 -1.955 -3.932 7.507 1.00 0.00 C ATOM 937 CG GLU A 61 -0.748 -4.685 8.039 1.00 0.00 C ATOM 938 CD GLU A 61 -0.374 -4.267 9.448 1.00 0.00 C ATOM 939 OE1 GLU A 61 -0.782 -3.164 9.868 1.00 0.00 O ATOM 940 OE2 GLU A 61 0.325 -5.045 10.130 1.00 0.00 O ATOM 0 H GLU A 61 -0.828 -3.822 5.286 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.788 -5.593 6.425 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.668 -2.901 7.302 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.723 -3.901 8.280 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.957 -5.755 8.025 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.101 -4.517 7.377 1.00 0.00 H new ATOM 947 N VAL A 62 -3.689 -2.606 5.330 1.00 0.00 N ATOM 948 CA VAL A 62 -4.838 -1.803 4.926 1.00 0.00 C ATOM 949 C VAL A 62 -5.781 -2.604 4.036 1.00 0.00 C ATOM 950 O VAL A 62 -7.003 -2.485 4.142 1.00 0.00 O ATOM 951 CB VAL A 62 -4.398 -0.531 4.177 1.00 0.00 C ATOM 952 CG1 VAL A 62 -5.605 0.192 3.599 1.00 0.00 C ATOM 953 CG2 VAL A 62 -3.609 0.385 5.101 1.00 0.00 C ATOM 0 H VAL A 62 -2.786 -2.160 5.170 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.361 -1.515 5.838 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.749 -0.822 3.351 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.275 1.088 3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.125 -0.466 2.903 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.282 0.473 4.406 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.306 1.279 4.555 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.232 0.671 5.949 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.723 -0.138 5.462 1.00 0.00 H new ATOM 963 N LEU A 63 -5.208 -3.419 3.158 1.00 0.00 N ATOM 964 CA LEU A 63 -5.998 -4.241 2.247 1.00 0.00 C ATOM 965 C LEU A 63 -6.439 -5.534 2.925 1.00 0.00 C ATOM 966 O LEU A 63 -7.603 -5.926 2.840 1.00 0.00 O ATOM 967 CB LEU A 63 -5.191 -4.561 0.988 1.00 0.00 C ATOM 968 CG LEU A 63 -4.690 -3.358 0.187 1.00 0.00 C ATOM 969 CD1 LEU A 63 -3.650 -3.792 -0.834 1.00 0.00 C ATOM 970 CD2 LEU A 63 -5.852 -2.653 -0.498 1.00 0.00 C ATOM 0 H LEU A 63 -4.199 -3.529 3.057 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.888 -3.678 1.967 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.330 -5.164 1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.807 -5.177 0.333 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.221 -2.656 0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.305 -2.923 -1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.805 -4.251 -0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.093 -4.514 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.478 -1.800 -1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.350 -3.347 -1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.562 -2.307 0.254 1.00 0.00 H new ATOM 982 N SER A 64 -5.502 -6.192 3.600 1.00 0.00 N ATOM 983 CA SER A 64 -5.793 -7.442 4.292 1.00 0.00 C ATOM 984 C SER A 64 -7.145 -7.371 4.997 1.00 0.00 C ATOM 985 O SER A 64 -7.918 -8.329 4.978 1.00 0.00 O ATOM 986 CB SER A 64 -4.692 -7.757 5.307 1.00 0.00 C ATOM 987 OG SER A 64 -4.670 -6.797 6.349 1.00 0.00 O ATOM 0 H SER A 64 -4.534 -5.880 3.682 1.00 0.00 H new ATOM 0 HA SER A 64 -5.831 -8.239 3.549 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.853 -8.750 5.726 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.725 -7.776 4.805 1.00 0.00 H new ATOM 0 HG SER A 64 -4.921 -5.920 5.991 1.00 0.00 H new ATOM 993 N ASP A 65 -7.422 -6.229 5.617 1.00 0.00 N ATOM 994 CA ASP A 65 -8.680 -6.030 6.327 1.00 0.00 C ATOM 995 C ASP A 65 -9.829 -5.816 5.347 1.00 0.00 C ATOM 996 O ASP A 65 -9.610 -5.521 4.172 1.00 0.00 O ATOM 997 CB ASP A 65 -8.572 -4.835 7.275 1.00 0.00 C ATOM 998 CG ASP A 65 -7.888 -5.191 8.580 1.00 0.00 C ATOM 999 OD1 ASP A 65 -7.004 -6.073 8.566 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -8.235 -4.586 9.615 1.00 0.00 O ATOM 0 H ASP A 65 -6.792 -5.427 5.642 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.886 -6.928 6.910 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -8.018 -4.035 6.784 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.570 -4.450 7.485 1.00 0.00 H new ATOM 1005 N SER A 66 -11.055 -5.969 5.838 1.00 0.00 N ATOM 1006 CA SER A 66 -12.239 -5.797 5.005 1.00 0.00 C ATOM 1007 C SER A 66 -12.772 -4.371 5.105 1.00 0.00 C ATOM 1008 O SER A 66 -13.194 -3.782 4.110 1.00 0.00 O ATOM 1009 CB SER A 66 -13.327 -6.791 5.417 1.00 0.00 C ATOM 1010 OG SER A 66 -12.818 -8.112 5.469 1.00 0.00 O ATOM 0 H SER A 66 -11.254 -6.212 6.809 1.00 0.00 H new ATOM 0 HA SER A 66 -11.955 -5.988 3.970 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.727 -6.513 6.392 1.00 0.00 H new ATOM 0 HB3 SER A 66 -14.154 -6.744 4.708 1.00 0.00 H new ATOM 0 HG SER A 66 -13.532 -8.727 5.736 1.00 0.00 H new ATOM 1016 N LYS A 67 -12.750 -3.822 6.315 1.00 0.00 N ATOM 1017 CA LYS A 67 -13.229 -2.465 6.548 1.00 0.00 C ATOM 1018 C LYS A 67 -12.254 -1.439 5.982 1.00 0.00 C ATOM 1019 O LYS A 67 -12.663 -0.421 5.422 1.00 0.00 O ATOM 1020 CB LYS A 67 -13.428 -2.223 8.046 1.00 0.00 C ATOM 1021 CG LYS A 67 -12.128 -2.160 8.830 1.00 0.00 C ATOM 1022 CD LYS A 67 -11.596 -0.739 8.914 1.00 0.00 C ATOM 1023 CE LYS A 67 -10.742 -0.537 10.156 1.00 0.00 C ATOM 1024 NZ LYS A 67 -10.571 0.906 10.483 1.00 0.00 N ATOM 0 H LYS A 67 -12.405 -4.296 7.150 1.00 0.00 H new ATOM 0 HA LYS A 67 -14.185 -2.351 6.037 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.972 -1.289 8.185 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.051 -3.019 8.455 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.289 -2.549 9.835 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.384 -2.800 8.356 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.006 -0.517 8.025 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.430 -0.037 8.926 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.203 -1.049 11.001 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.764 -0.993 10.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.983 1.001 11.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.108 1.390 9.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.502 1.336 10.655 1.00 0.00 H new ATOM 1038 N LYS A 68 -10.962 -1.713 6.129 1.00 0.00 N ATOM 1039 CA LYS A 68 -9.927 -0.815 5.629 1.00 0.00 C ATOM 1040 C LYS A 68 -9.854 -0.863 4.106 1.00 0.00 C ATOM 1041 O LYS A 68 -9.823 0.174 3.444 1.00 0.00 O ATOM 1042 CB LYS A 68 -8.569 -1.186 6.228 1.00 0.00 C ATOM 1043 CG LYS A 68 -8.494 -0.994 7.733 1.00 0.00 C ATOM 1044 CD LYS A 68 -7.055 -0.939 8.217 1.00 0.00 C ATOM 1045 CE LYS A 68 -6.975 -0.991 9.735 1.00 0.00 C ATOM 1046 NZ LYS A 68 -5.706 -0.402 10.245 1.00 0.00 N ATOM 0 H LYS A 68 -10.606 -2.550 6.591 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.185 0.200 5.930 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.350 -2.227 5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.795 -0.582 5.754 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.007 -0.073 8.009 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.015 -1.811 8.231 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.495 -1.773 7.793 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.584 -0.024 7.858 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.822 -0.454 10.162 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.054 -2.026 10.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.691 -0.457 11.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.898 -0.930 9.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.642 0.593 9.950 1.00 0.00 H new ATOM 1060 N ARG A 69 -9.828 -2.073 3.558 1.00 0.00 N ATOM 1061 CA ARG A 69 -9.759 -2.256 2.113 1.00 0.00 C ATOM 1062 C ARG A 69 -10.985 -1.656 1.430 1.00 0.00 C ATOM 1063 O ARG A 69 -10.866 -0.941 0.435 1.00 0.00 O ATOM 1064 CB ARG A 69 -9.646 -3.742 1.770 1.00 0.00 C ATOM 1065 CG ARG A 69 -9.167 -4.006 0.352 1.00 0.00 C ATOM 1066 CD ARG A 69 -9.372 -5.459 -0.045 1.00 0.00 C ATOM 1067 NE ARG A 69 -8.514 -5.848 -1.161 1.00 0.00 N ATOM 1068 CZ ARG A 69 -8.802 -6.838 -1.999 1.00 0.00 C ATOM 1069 NH1 ARG A 69 -9.920 -7.535 -1.848 1.00 0.00 N ATOM 1070 NH2 ARG A 69 -7.971 -7.133 -2.990 1.00 0.00 N ATOM 0 H ARG A 69 -9.854 -2.941 4.092 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.872 -1.738 1.748 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -8.959 -4.216 2.471 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -10.619 -4.213 1.909 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -9.705 -3.359 -0.341 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.110 -3.751 0.271 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.166 -6.101 0.811 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.415 -5.616 -0.318 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.646 -5.331 -1.305 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.561 -7.312 -1.087 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -10.139 -8.294 -2.493 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.110 -6.600 -3.109 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.193 -7.893 -3.633 1.00 0.00 H new ATOM 1084 N SER A 70 -12.162 -1.954 1.971 1.00 0.00 N ATOM 1085 CA SER A 70 -13.410 -1.448 1.412 1.00 0.00 C ATOM 1086 C SER A 70 -13.467 0.074 1.499 1.00 0.00 C ATOM 1087 O SER A 70 -13.730 0.755 0.508 1.00 0.00 O ATOM 1088 CB SER A 70 -14.606 -2.058 2.144 1.00 0.00 C ATOM 1089 OG SER A 70 -14.846 -3.386 1.711 1.00 0.00 O ATOM 0 H SER A 70 -12.277 -2.543 2.796 1.00 0.00 H new ATOM 0 HA SER A 70 -13.452 -1.736 0.361 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.421 -2.050 3.218 1.00 0.00 H new ATOM 0 HB3 SER A 70 -15.493 -1.449 1.969 1.00 0.00 H new ATOM 0 HG SER A 70 -14.416 -4.014 2.328 1.00 0.00 H new ATOM 1095 N LEU A 71 -13.220 0.601 2.694 1.00 0.00 N ATOM 1096 CA LEU A 71 -13.243 2.043 2.913 1.00 0.00 C ATOM 1097 C LEU A 71 -12.283 2.754 1.965 1.00 0.00 C ATOM 1098 O LEU A 71 -12.654 3.721 1.300 1.00 0.00 O ATOM 1099 CB LEU A 71 -12.877 2.363 4.363 1.00 0.00 C ATOM 1100 CG LEU A 71 -14.035 2.377 5.361 1.00 0.00 C ATOM 1101 CD1 LEU A 71 -13.522 2.168 6.778 1.00 0.00 C ATOM 1102 CD2 LEU A 71 -14.811 3.682 5.261 1.00 0.00 C ATOM 0 H LEU A 71 -13.002 0.052 3.525 1.00 0.00 H new ATOM 0 HA LEU A 71 -14.253 2.400 2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.142 1.632 4.701 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.391 3.339 4.387 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.709 1.557 5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -14.361 2.181 7.474 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.012 1.207 6.842 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.825 2.966 7.034 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -15.631 3.673 5.979 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -14.147 4.518 5.479 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -15.212 3.791 4.253 1.00 0.00 H new