USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 835 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 64 ASN : amide:sc= -8.77! C(o=-21!,f=-35!) USER MOD Set 1.2: A 66 HIS : no HE2:sc= -12.7! C(o=-21!,f=-36!) USER MOD Set 2.1: A 51 HIS : no HE2:sc= -0.0901 K(o=-0.5,f=-2) USER MOD Set 2.2: A 56 HIS : no HD1:sc= -0.414 X(o=-0.5,f=-0.63) USER MOD Set 3.1: A 43 GLN :FLIP amide:sc= -1.25 F(o=-5!,f=-1.5) USER MOD Set 3.2: A 123 GLN : amide:sc= -0.232 K(o=-1.5,f=-5!) USER MOD Set 4.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 36 THR OG1 : rot 180:sc= 0 USER MOD Set 4.3: A 49 GLN :FLIP amide:sc= -0.171 F(o=-3.2!,f=-0.17) USER MOD Single : A 15 GLN : amide:sc= -0.301 X(o=-0.3,f=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -156:sc= -0.0756 (180deg=-1.16) USER MOD Single : A 26 LYS NZ :NH3+ -106:sc= 0.0235 (180deg=0) USER MOD Single : A 33 CYS SG : rot 120:sc= -1.75! USER MOD Single : A 39 GLN : amide:sc= -3.15! C(o=-3.1!,f=-12!) USER MOD Single : A 41 ASN : amide:sc= -2.48 K(o=-2.5,f=-4.3!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 161:sc= -0.0353 (180deg=-0.516) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 58 GLN :FLIP amide:sc= 0.408 F(o=-1.5,f=0.41) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 CYS SG : rot 180:sc= -0.807 USER MOD Single : A 71 GLN :FLIP amide:sc= -9.33! C(o=-14!,f=-9.3!) USER MOD Single : A 83 SER OG : rot -78:sc= 0.663 USER MOD Single : A 84 ASN : amide:sc= -4.44! C(o=-4.4!,f=-8.1!) USER MOD Single : A 85 SER OG : rot -7:sc= 1.41 USER MOD Single : A 88 LYS NZ :NH3+ 132:sc= 0.0117 (180deg=-0.34) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 108 HIS : no HD1:sc= -3.09 X(o=-3.1,f=-2.8) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot -22:sc= -0.117 USER MOD Single : A 120 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.035) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 107 N PRO A 9 -1.951 2.422 14.689 1.00 1.00 N ATOM 108 CA PRO A 9 -0.645 3.013 14.260 1.00 1.00 C ATOM 109 C PRO A 9 -0.837 4.157 13.263 1.00 1.00 C ATOM 110 O PRO A 9 -0.315 5.256 13.449 1.00 1.00 O ATOM 111 CB PRO A 9 0.092 1.827 13.615 1.00 1.00 C ATOM 112 CG PRO A 9 -0.990 0.910 13.139 1.00 1.00 C ATOM 113 CD PRO A 9 -2.154 1.076 14.120 1.00 1.00 C ATOM 0 HA PRO A 9 -0.095 3.456 15.091 1.00 1.00 H new ATOM 0 HB2 PRO A 9 0.722 2.156 12.789 1.00 1.00 H new ATOM 0 HB3 PRO A 9 0.743 1.329 14.334 1.00 1.00 H new ATOM 0 HG2 PRO A 9 -1.297 1.164 12.124 1.00 1.00 H new ATOM 0 HG3 PRO A 9 -0.643 -0.123 13.118 1.00 1.00 H new ATOM 0 HD2 PRO A 9 -3.116 0.997 13.615 1.00 1.00 H new ATOM 0 HD3 PRO A 9 -2.137 0.309 14.894 1.00 1.00 H new ATOM 121 N LEU A 10 -1.594 3.881 12.206 1.00 1.00 N ATOM 122 CA LEU A 10 -1.866 4.878 11.174 1.00 1.00 C ATOM 123 C LEU A 10 -2.497 6.128 11.801 1.00 1.00 C ATOM 124 O LEU A 10 -3.011 6.051 12.914 1.00 1.00 O ATOM 125 CB LEU A 10 -2.804 4.268 10.116 1.00 1.00 C ATOM 126 CG LEU A 10 -4.048 3.625 10.783 1.00 1.00 C ATOM 127 CD1 LEU A 10 -5.180 4.654 10.926 1.00 1.00 C ATOM 128 CD2 LEU A 10 -4.551 2.462 9.922 1.00 1.00 C ATOM 0 H LEU A 10 -2.031 2.974 12.041 1.00 1.00 H new ATOM 0 HA LEU A 10 -0.933 5.173 10.695 1.00 1.00 H new ATOM 0 HB2 LEU A 10 -3.121 5.041 9.416 1.00 1.00 H new ATOM 0 HB3 LEU A 10 -2.267 3.516 9.538 1.00 1.00 H new ATOM 0 HG LEU A 10 -3.759 3.268 11.771 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -6.043 4.183 11.396 1.00 1.00 H new ATOM 0 HD12 LEU A 10 -4.840 5.486 11.543 1.00 1.00 H new ATOM 0 HD13 LEU A 10 -5.461 5.025 9.940 1.00 1.00 H new ATOM 0 HD21 LEU A 10 -5.425 2.012 10.393 1.00 1.00 H new ATOM 0 HD22 LEU A 10 -4.822 2.832 8.933 1.00 1.00 H new ATOM 0 HD23 LEU A 10 -3.765 1.713 9.826 1.00 1.00 H new ATOM 140 N PRO A 11 -2.488 7.274 11.140 1.00 1.00 N ATOM 141 CA PRO A 11 -3.100 8.506 11.727 1.00 1.00 C ATOM 142 C PRO A 11 -4.584 8.314 12.026 1.00 1.00 C ATOM 143 O PRO A 11 -5.299 7.641 11.284 1.00 1.00 O ATOM 144 CB PRO A 11 -2.885 9.592 10.654 1.00 1.00 C ATOM 145 CG PRO A 11 -1.787 9.071 9.790 1.00 1.00 C ATOM 146 CD PRO A 11 -1.917 7.549 9.804 1.00 1.00 C ATOM 0 HA PRO A 11 -2.646 8.768 12.683 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -3.794 9.762 10.077 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -2.612 10.545 11.107 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -1.873 9.459 8.775 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -0.813 9.382 10.169 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -2.568 7.193 9.006 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -0.952 7.061 9.670 1.00 1.00 H new ATOM 154 N VAL A 12 -5.029 8.911 13.118 1.00 1.00 N ATOM 155 CA VAL A 12 -6.427 8.806 13.524 1.00 1.00 C ATOM 156 C VAL A 12 -7.341 9.505 12.522 1.00 1.00 C ATOM 157 O VAL A 12 -8.403 8.990 12.172 1.00 1.00 O ATOM 158 CB VAL A 12 -6.610 9.419 14.915 1.00 1.00 C ATOM 159 CG1 VAL A 12 -8.098 9.445 15.276 1.00 1.00 C ATOM 160 CG2 VAL A 12 -5.854 8.574 15.943 1.00 1.00 C ATOM 0 H VAL A 12 -4.448 9.473 13.740 1.00 1.00 H new ATOM 0 HA VAL A 12 -6.698 7.751 13.554 1.00 1.00 H new ATOM 0 HB VAL A 12 -6.220 10.437 14.916 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -8.224 9.882 16.267 1.00 1.00 H new ATOM 0 HG12 VAL A 12 -8.640 10.044 14.544 1.00 1.00 H new ATOM 0 HG13 VAL A 12 -8.490 8.428 15.275 1.00 1.00 H new ATOM 0 HG21 VAL A 12 -5.982 9.007 16.935 1.00 1.00 H new ATOM 0 HG22 VAL A 12 -6.247 7.557 15.938 1.00 1.00 H new ATOM 0 HG23 VAL A 12 -4.794 8.555 15.689 1.00 1.00 H new ATOM 170 N GLY A 13 -6.929 10.685 12.075 1.00 1.00 N ATOM 171 CA GLY A 13 -7.729 11.449 11.125 1.00 1.00 C ATOM 172 C GLY A 13 -7.964 10.658 9.843 1.00 1.00 C ATOM 173 O GLY A 13 -9.021 10.768 9.223 1.00 1.00 O ATOM 0 H GLY A 13 -6.054 11.131 12.352 1.00 1.00 H new ATOM 0 HA2 GLY A 13 -8.687 11.708 11.577 1.00 1.00 H new ATOM 0 HA3 GLY A 13 -7.224 12.386 10.890 1.00 1.00 H new ATOM 177 N ALA A 14 -6.977 9.863 9.449 1.00 1.00 N ATOM 178 CA ALA A 14 -7.103 9.064 8.236 1.00 1.00 C ATOM 179 C ALA A 14 -8.137 7.957 8.420 1.00 1.00 C ATOM 180 O ALA A 14 -8.175 7.293 9.455 1.00 1.00 O ATOM 181 CB ALA A 14 -5.752 8.444 7.873 1.00 1.00 C ATOM 0 H ALA A 14 -6.092 9.754 9.944 1.00 1.00 H new ATOM 0 HA ALA A 14 -7.432 9.720 7.430 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -5.857 7.849 6.966 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -5.022 9.236 7.706 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -5.414 7.805 8.689 1.00 1.00 H new ATOM 187 N GLN A 15 -8.963 7.754 7.393 1.00 1.00 N ATOM 188 CA GLN A 15 -9.990 6.712 7.425 1.00 1.00 C ATOM 189 C GLN A 15 -9.459 5.476 6.693 1.00 1.00 C ATOM 190 O GLN A 15 -9.320 5.521 5.477 1.00 1.00 O ATOM 191 CB GLN A 15 -11.263 7.202 6.719 1.00 1.00 C ATOM 192 CG GLN A 15 -11.617 8.624 7.186 1.00 1.00 C ATOM 193 CD GLN A 15 -13.095 8.906 6.935 1.00 1.00 C ATOM 194 OE1 GLN A 15 -13.715 9.675 7.669 1.00 1.00 O ATOM 195 NE2 GLN A 15 -13.699 8.322 5.937 1.00 1.00 N ATOM 0 H GLN A 15 -8.941 8.297 6.530 1.00 1.00 H new ATOM 0 HA GLN A 15 -10.227 6.470 8.461 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -11.115 7.193 5.639 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -12.090 6.525 6.933 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -11.393 8.733 8.247 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -11.005 9.353 6.655 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -13.182 7.685 5.330 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -14.688 8.502 5.763 1.00 1.00 H new ATOM 204 N PRO A 16 -9.130 4.393 7.371 1.00 1.00 N ATOM 205 CA PRO A 16 -8.566 3.185 6.690 1.00 1.00 C ATOM 206 C PRO A 16 -9.625 2.367 5.951 1.00 1.00 C ATOM 207 O PRO A 16 -10.390 1.621 6.561 1.00 1.00 O ATOM 208 CB PRO A 16 -7.951 2.389 7.847 1.00 1.00 C ATOM 209 CG PRO A 16 -8.793 2.731 9.034 1.00 1.00 C ATOM 210 CD PRO A 16 -9.253 4.180 8.830 1.00 1.00 C ATOM 0 HA PRO A 16 -7.850 3.450 5.912 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -7.969 1.318 7.644 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -6.909 2.666 8.008 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -9.647 2.059 9.112 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -8.223 2.630 9.958 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -10.279 4.325 9.169 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -8.631 4.879 9.389 1.00 1.00 H new ATOM 218 N LEU A 17 -9.647 2.512 4.629 1.00 1.00 N ATOM 219 CA LEU A 17 -10.597 1.778 3.800 1.00 1.00 C ATOM 220 C LEU A 17 -10.305 0.289 3.863 1.00 1.00 C ATOM 221 O LEU A 17 -11.210 -0.537 3.970 1.00 1.00 O ATOM 222 CB LEU A 17 -10.476 2.226 2.344 1.00 1.00 C ATOM 223 CG LEU A 17 -10.810 3.713 2.218 1.00 1.00 C ATOM 224 CD1 LEU A 17 -10.594 4.152 0.765 1.00 1.00 C ATOM 225 CD2 LEU A 17 -12.272 3.972 2.628 1.00 1.00 C ATOM 0 H LEU A 17 -9.021 3.128 4.111 1.00 1.00 H new ATOM 0 HA LEU A 17 -11.601 1.978 4.173 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -9.464 2.041 1.982 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -11.150 1.640 1.719 1.00 1.00 H new ATOM 0 HG LEU A 17 -10.159 4.285 2.879 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -10.830 5.212 0.666 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -9.554 3.984 0.485 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -11.244 3.573 0.109 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -12.494 5.035 2.533 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -12.938 3.403 1.980 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -12.420 3.662 3.662 1.00 1.00 H new ATOM 237 N ALA A 18 -9.020 -0.039 3.780 1.00 1.00 N ATOM 238 CA ALA A 18 -8.585 -1.435 3.808 1.00 1.00 C ATOM 239 C ALA A 18 -7.177 -1.536 4.380 1.00 1.00 C ATOM 240 O ALA A 18 -6.407 -0.579 4.326 1.00 1.00 O ATOM 241 CB ALA A 18 -8.604 -2.010 2.390 1.00 1.00 C ATOM 0 H ALA A 18 -8.262 0.638 3.693 1.00 1.00 H new ATOM 0 HA ALA A 18 -9.267 -2.003 4.441 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -8.279 -3.050 2.415 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -9.616 -1.955 1.989 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -7.930 -1.435 1.755 1.00 1.00 H new ATOM 247 N THR A 19 -6.843 -2.705 4.926 1.00 1.00 N ATOM 248 CA THR A 19 -5.515 -2.919 5.503 1.00 1.00 C ATOM 249 C THR A 19 -5.072 -4.361 5.306 1.00 1.00 C ATOM 250 O THR A 19 -5.854 -5.291 5.505 1.00 1.00 O ATOM 251 CB THR A 19 -5.528 -2.575 6.991 1.00 1.00 C ATOM 252 OG1 THR A 19 -4.301 -2.983 7.580 1.00 1.00 O ATOM 253 CG2 THR A 19 -6.692 -3.294 7.677 1.00 1.00 C ATOM 0 H THR A 19 -7.466 -3.511 4.981 1.00 1.00 H new ATOM 0 HA THR A 19 -4.807 -2.266 4.992 1.00 1.00 H new ATOM 0 HB THR A 19 -5.650 -1.499 7.113 1.00 1.00 H new ATOM 0 HG1 THR A 19 -4.307 -2.761 8.535 1.00 1.00 H new ATOM 0 HG21 THR A 19 -6.698 -3.046 8.738 1.00 1.00 H new ATOM 0 HG22 THR A 19 -7.632 -2.978 7.225 1.00 1.00 H new ATOM 0 HG23 THR A 19 -6.576 -4.371 7.557 1.00 1.00 H new ATOM 261 N VAL A 20 -3.812 -4.543 4.901 1.00 1.00 N ATOM 262 CA VAL A 20 -3.283 -5.884 4.664 1.00 1.00 C ATOM 263 C VAL A 20 -1.821 -5.979 5.077 1.00 1.00 C ATOM 264 O VAL A 20 -1.128 -4.967 5.180 1.00 1.00 O ATOM 265 CB VAL A 20 -3.421 -6.222 3.179 1.00 1.00 C ATOM 266 CG1 VAL A 20 -4.906 -6.224 2.794 1.00 1.00 C ATOM 267 CG2 VAL A 20 -2.671 -5.177 2.344 1.00 1.00 C ATOM 0 H VAL A 20 -3.148 -3.787 4.733 1.00 1.00 H new ATOM 0 HA VAL A 20 -3.851 -6.594 5.265 1.00 1.00 H new ATOM 0 HB VAL A 20 -2.996 -7.207 2.987 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -5.007 -6.465 1.736 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -5.435 -6.969 3.388 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -5.333 -5.239 2.984 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -2.769 -5.418 1.286 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -3.093 -4.190 2.532 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -1.617 -5.179 2.620 1.00 1.00 H new ATOM 277 N GLU A 21 -1.348 -7.207 5.283 1.00 1.00 N ATOM 278 CA GLU A 21 0.047 -7.436 5.654 1.00 1.00 C ATOM 279 C GLU A 21 0.821 -7.916 4.432 1.00 1.00 C ATOM 280 O GLU A 21 0.470 -8.923 3.819 1.00 1.00 O ATOM 281 CB GLU A 21 0.136 -8.484 6.765 1.00 1.00 C ATOM 282 CG GLU A 21 1.598 -8.653 7.189 1.00 1.00 C ATOM 283 CD GLU A 21 1.695 -9.631 8.354 1.00 1.00 C ATOM 284 OE1 GLU A 21 0.709 -10.299 8.626 1.00 1.00 O ATOM 285 OE2 GLU A 21 2.752 -9.698 8.959 1.00 1.00 O ATOM 0 H GLU A 21 -1.908 -8.056 5.200 1.00 1.00 H new ATOM 0 HA GLU A 21 0.477 -6.503 6.019 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -0.469 -8.177 7.619 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -0.265 -9.435 6.416 1.00 1.00 H new ATOM 0 HG2 GLU A 21 2.189 -9.017 6.348 1.00 1.00 H new ATOM 0 HG3 GLU A 21 2.015 -7.688 7.478 1.00 1.00 H new ATOM 292 N GLY A 22 1.873 -7.182 4.079 1.00 1.00 N ATOM 293 CA GLY A 22 2.700 -7.523 2.921 1.00 1.00 C ATOM 294 C GLY A 22 4.135 -7.801 3.345 1.00 1.00 C ATOM 295 O GLY A 22 4.451 -7.817 4.533 1.00 1.00 O ATOM 0 H GLY A 22 2.175 -6.345 4.578 1.00 1.00 H new ATOM 0 HA2 GLY A 22 2.288 -8.399 2.419 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.681 -6.705 2.201 1.00 1.00 H new ATOM 299 N MET A 23 5.002 -8.020 2.360 1.00 1.00 N ATOM 300 CA MET A 23 6.410 -8.300 2.627 1.00 1.00 C ATOM 301 C MET A 23 7.292 -7.485 1.691 1.00 1.00 C ATOM 302 O MET A 23 7.499 -7.853 0.535 1.00 1.00 O ATOM 303 CB MET A 23 6.683 -9.791 2.429 1.00 1.00 C ATOM 304 CG MET A 23 5.863 -10.600 3.439 1.00 1.00 C ATOM 305 SD MET A 23 6.449 -10.253 5.119 1.00 1.00 S ATOM 306 CE MET A 23 5.102 -11.075 6.007 1.00 1.00 C ATOM 0 H MET A 23 4.755 -8.009 1.371 1.00 1.00 H new ATOM 0 HA MET A 23 6.639 -8.024 3.656 1.00 1.00 H new ATOM 0 HB2 MET A 23 6.423 -10.087 1.413 1.00 1.00 H new ATOM 0 HB3 MET A 23 7.745 -9.997 2.559 1.00 1.00 H new ATOM 0 HG2 MET A 23 4.807 -10.345 3.352 1.00 1.00 H new ATOM 0 HG3 MET A 23 5.953 -11.665 3.225 1.00 1.00 H new ATOM 0 HE1 MET A 23 5.264 -10.982 7.081 1.00 1.00 H new ATOM 0 HE2 MET A 23 4.153 -10.609 5.742 1.00 1.00 H new ATOM 0 HE3 MET A 23 5.077 -12.130 5.734 1.00 1.00 H new ATOM 316 N GLU A 24 7.810 -6.373 2.203 1.00 1.00 N ATOM 317 CA GLU A 24 8.671 -5.503 1.413 1.00 1.00 C ATOM 318 C GLU A 24 9.900 -6.269 0.940 1.00 1.00 C ATOM 319 O GLU A 24 10.523 -6.990 1.715 1.00 1.00 O ATOM 320 CB GLU A 24 9.090 -4.299 2.261 1.00 1.00 C ATOM 321 CG GLU A 24 9.942 -3.349 1.423 1.00 1.00 C ATOM 322 CD GLU A 24 10.254 -2.093 2.231 1.00 1.00 C ATOM 323 OE1 GLU A 24 10.007 -2.104 3.427 1.00 1.00 O ATOM 324 OE2 GLU A 24 10.735 -1.139 1.644 1.00 1.00 O ATOM 0 H GLU A 24 7.649 -6.055 3.159 1.00 1.00 H new ATOM 0 HA GLU A 24 8.125 -5.153 0.537 1.00 1.00 H new ATOM 0 HB2 GLU A 24 8.207 -3.779 2.632 1.00 1.00 H new ATOM 0 HB3 GLU A 24 9.652 -4.634 3.132 1.00 1.00 H new ATOM 0 HG2 GLU A 24 10.868 -3.841 1.125 1.00 1.00 H new ATOM 0 HG3 GLU A 24 9.414 -3.083 0.507 1.00 1.00 H new ATOM 331 N MET A 25 10.239 -6.122 -0.342 1.00 1.00 N ATOM 332 CA MET A 25 11.398 -6.818 -0.912 1.00 1.00 C ATOM 333 C MET A 25 12.483 -5.825 -1.307 1.00 1.00 C ATOM 334 O MET A 25 12.212 -4.839 -1.994 1.00 1.00 O ATOM 335 CB MET A 25 10.973 -7.604 -2.157 1.00 1.00 C ATOM 336 CG MET A 25 9.874 -8.601 -1.793 1.00 1.00 C ATOM 337 SD MET A 25 9.456 -9.605 -3.242 1.00 1.00 S ATOM 338 CE MET A 25 8.650 -8.307 -4.215 1.00 1.00 C ATOM 0 H MET A 25 9.733 -5.532 -1.003 1.00 1.00 H new ATOM 0 HA MET A 25 11.791 -7.497 -0.155 1.00 1.00 H new ATOM 0 HB2 MET A 25 10.615 -6.919 -2.925 1.00 1.00 H new ATOM 0 HB3 MET A 25 11.830 -8.131 -2.575 1.00 1.00 H new ATOM 0 HG2 MET A 25 10.208 -9.243 -0.978 1.00 1.00 H new ATOM 0 HG3 MET A 25 8.990 -8.070 -1.439 1.00 1.00 H new ATOM 0 HE1 MET A 25 7.959 -8.761 -4.926 1.00 1.00 H new ATOM 0 HE2 MET A 25 8.101 -7.641 -3.549 1.00 1.00 H new ATOM 0 HE3 MET A 25 9.405 -7.737 -4.757 1.00 1.00 H new ATOM 348 N LYS A 26 13.719 -6.101 -0.895 1.00 1.00 N ATOM 349 CA LYS A 26 14.852 -5.238 -1.238 1.00 1.00 C ATOM 350 C LYS A 26 15.999 -6.083 -1.776 1.00 1.00 C ATOM 351 O LYS A 26 16.224 -7.207 -1.325 1.00 1.00 O ATOM 352 CB LYS A 26 15.332 -4.437 -0.022 1.00 1.00 C ATOM 353 CG LYS A 26 14.254 -3.446 0.411 1.00 1.00 C ATOM 354 CD LYS A 26 14.775 -2.622 1.589 1.00 1.00 C ATOM 355 CE LYS A 26 13.705 -1.625 2.027 1.00 1.00 C ATOM 356 NZ LYS A 26 14.224 -0.795 3.150 1.00 1.00 N ATOM 0 H LYS A 26 13.963 -6.911 -0.326 1.00 1.00 H new ATOM 0 HA LYS A 26 14.520 -4.534 -2.001 1.00 1.00 H new ATOM 0 HB2 LYS A 26 15.566 -5.114 0.800 1.00 1.00 H new ATOM 0 HB3 LYS A 26 16.250 -3.903 -0.267 1.00 1.00 H new ATOM 0 HG2 LYS A 26 13.991 -2.790 -0.419 1.00 1.00 H new ATOM 0 HG3 LYS A 26 13.347 -3.978 0.697 1.00 1.00 H new ATOM 0 HD2 LYS A 26 15.036 -3.279 2.419 1.00 1.00 H new ATOM 0 HD3 LYS A 26 15.684 -2.093 1.303 1.00 1.00 H new ATOM 0 HE2 LYS A 26 13.424 -0.987 1.189 1.00 1.00 H new ATOM 0 HE3 LYS A 26 12.805 -2.156 2.339 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 13.778 -1.097 4.040 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 15.255 -0.914 3.222 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 14.002 0.206 2.973 1.00 1.00 H new ATOM 370 N GLY A 27 16.715 -5.534 -2.748 1.00 1.00 N ATOM 371 CA GLY A 27 17.840 -6.228 -3.362 1.00 1.00 C ATOM 372 C GLY A 27 18.626 -7.084 -2.364 1.00 1.00 C ATOM 373 O GLY A 27 18.684 -8.307 -2.500 1.00 1.00 O ATOM 0 H GLY A 27 16.536 -4.605 -3.130 1.00 1.00 H new ATOM 0 HA2 GLY A 27 17.473 -6.863 -4.168 1.00 1.00 H new ATOM 0 HA3 GLY A 27 18.510 -5.496 -3.813 1.00 1.00 H new ATOM 377 N PRO A 28 19.256 -6.470 -1.392 1.00 1.00 N ATOM 378 CA PRO A 28 20.088 -7.198 -0.379 1.00 1.00 C ATOM 379 C PRO A 28 19.296 -8.232 0.442 1.00 1.00 C ATOM 380 O PRO A 28 19.848 -9.259 0.838 1.00 1.00 O ATOM 381 CB PRO A 28 20.657 -6.069 0.508 1.00 1.00 C ATOM 382 CG PRO A 28 19.738 -4.907 0.296 1.00 1.00 C ATOM 383 CD PRO A 28 19.243 -5.020 -1.142 1.00 1.00 C ATOM 0 HA PRO A 28 20.862 -7.800 -0.856 1.00 1.00 H new ATOM 0 HB2 PRO A 28 20.682 -6.366 1.556 1.00 1.00 H new ATOM 0 HB3 PRO A 28 21.679 -5.821 0.223 1.00 1.00 H new ATOM 0 HG2 PRO A 28 18.905 -4.935 0.999 1.00 1.00 H new ATOM 0 HG3 PRO A 28 20.259 -3.963 0.456 1.00 1.00 H new ATOM 0 HD2 PRO A 28 18.243 -4.601 -1.257 1.00 1.00 H new ATOM 0 HD3 PRO A 28 19.894 -4.487 -1.835 1.00 1.00 H new ATOM 391 N LEU A 29 18.014 -7.969 0.690 1.00 1.00 N ATOM 392 CA LEU A 29 17.190 -8.910 1.460 1.00 1.00 C ATOM 393 C LEU A 29 15.744 -8.425 1.532 1.00 1.00 C ATOM 394 O LEU A 29 15.412 -7.376 0.993 1.00 1.00 O ATOM 395 CB LEU A 29 17.748 -9.085 2.887 1.00 1.00 C ATOM 396 CG LEU A 29 18.226 -7.744 3.460 1.00 1.00 C ATOM 397 CD1 LEU A 29 17.082 -6.725 3.455 1.00 1.00 C ATOM 398 CD2 LEU A 29 18.703 -7.960 4.900 1.00 1.00 C ATOM 0 H LEU A 29 17.527 -7.129 0.377 1.00 1.00 H new ATOM 0 HA LEU A 29 17.218 -9.873 0.949 1.00 1.00 H new ATOM 0 HB2 LEU A 29 16.978 -9.507 3.533 1.00 1.00 H new ATOM 0 HB3 LEU A 29 18.576 -9.794 2.873 1.00 1.00 H new ATOM 0 HG LEU A 29 19.041 -7.362 2.845 1.00 1.00 H new ATOM 0 HD11 LEU A 29 17.436 -5.779 3.864 1.00 1.00 H new ATOM 0 HD12 LEU A 29 16.736 -6.572 2.433 1.00 1.00 H new ATOM 0 HD13 LEU A 29 16.259 -7.099 4.064 1.00 1.00 H new ATOM 0 HD21 LEU A 29 19.045 -7.012 5.316 1.00 1.00 H new ATOM 0 HD22 LEU A 29 17.880 -8.345 5.502 1.00 1.00 H new ATOM 0 HD23 LEU A 29 19.524 -8.677 4.908 1.00 1.00 H new ATOM 410 N ARG A 30 14.886 -9.191 2.209 1.00 1.00 N ATOM 411 CA ARG A 30 13.481 -8.813 2.352 1.00 1.00 C ATOM 412 C ARG A 30 13.244 -8.138 3.696 1.00 1.00 C ATOM 413 O ARG A 30 14.104 -8.163 4.577 1.00 1.00 O ATOM 414 CB ARG A 30 12.579 -10.038 2.246 1.00 1.00 C ATOM 415 CG ARG A 30 12.588 -10.561 0.813 1.00 1.00 C ATOM 416 CD ARG A 30 11.618 -11.731 0.716 1.00 1.00 C ATOM 417 NE ARG A 30 11.578 -12.240 -0.652 1.00 1.00 N ATOM 418 CZ ARG A 30 10.603 -13.044 -1.065 1.00 1.00 C ATOM 419 NH1 ARG A 30 9.680 -13.442 -0.232 1.00 1.00 N ATOM 420 NH2 ARG A 30 10.573 -13.443 -2.308 1.00 1.00 N ATOM 0 H ARG A 30 15.138 -10.069 2.663 1.00 1.00 H new ATOM 0 HA ARG A 30 13.241 -8.118 1.548 1.00 1.00 H new ATOM 0 HB2 ARG A 30 12.923 -10.815 2.929 1.00 1.00 H new ATOM 0 HB3 ARG A 30 11.562 -9.780 2.543 1.00 1.00 H new ATOM 0 HG2 ARG A 30 12.298 -9.771 0.120 1.00 1.00 H new ATOM 0 HG3 ARG A 30 13.592 -10.878 0.532 1.00 1.00 H new ATOM 0 HD2 ARG A 30 11.924 -12.524 1.398 1.00 1.00 H new ATOM 0 HD3 ARG A 30 10.622 -11.413 1.023 1.00 1.00 H new ATOM 0 HE ARG A 30 12.314 -11.973 -1.305 1.00 1.00 H new ATOM 0 HH11 ARG A 30 9.705 -13.136 0.741 1.00 1.00 H new ATOM 0 HH12 ARG A 30 8.934 -14.059 -0.554 1.00 1.00 H new ATOM 0 HH21 ARG A 30 11.296 -13.138 -2.959 1.00 1.00 H new ATOM 0 HH22 ARG A 30 9.826 -14.060 -2.628 1.00 1.00 H new ATOM 434 N GLU A 31 12.068 -7.533 3.845 1.00 1.00 N ATOM 435 CA GLU A 31 11.713 -6.847 5.082 1.00 1.00 C ATOM 436 C GLU A 31 10.190 -6.924 5.294 1.00 1.00 C ATOM 437 O GLU A 31 9.436 -6.577 4.387 1.00 1.00 O ATOM 438 CB GLU A 31 12.162 -5.375 4.986 1.00 1.00 C ATOM 439 CG GLU A 31 11.364 -4.501 5.961 1.00 1.00 C ATOM 440 CD GLU A 31 12.071 -3.169 6.183 1.00 1.00 C ATOM 441 OE1 GLU A 31 12.344 -2.495 5.203 1.00 1.00 O ATOM 442 OE2 GLU A 31 12.329 -2.843 7.329 1.00 1.00 O ATOM 0 H GLU A 31 11.346 -7.505 3.125 1.00 1.00 H new ATOM 0 HA GLU A 31 12.210 -7.322 5.928 1.00 1.00 H new ATOM 0 HB2 GLU A 31 13.226 -5.299 5.209 1.00 1.00 H new ATOM 0 HB3 GLU A 31 12.023 -5.013 3.967 1.00 1.00 H new ATOM 0 HG2 GLU A 31 10.363 -4.327 5.567 1.00 1.00 H new ATOM 0 HG3 GLU A 31 11.247 -5.020 6.912 1.00 1.00 H new ATOM 449 N PRO A 32 9.702 -7.350 6.445 1.00 1.00 N ATOM 450 CA PRO A 32 8.231 -7.417 6.676 1.00 1.00 C ATOM 451 C PRO A 32 7.603 -6.022 6.646 1.00 1.00 C ATOM 452 O PRO A 32 8.202 -5.055 7.116 1.00 1.00 O ATOM 453 CB PRO A 32 8.089 -8.088 8.055 1.00 1.00 C ATOM 454 CG PRO A 32 9.403 -7.869 8.739 1.00 1.00 C ATOM 455 CD PRO A 32 10.460 -7.802 7.634 1.00 1.00 C ATOM 0 HA PRO A 32 7.710 -7.978 5.900 1.00 1.00 H new ATOM 0 HB2 PRO A 32 7.271 -7.647 8.625 1.00 1.00 H new ATOM 0 HB3 PRO A 32 7.870 -9.151 7.954 1.00 1.00 H new ATOM 0 HG2 PRO A 32 9.389 -6.947 9.320 1.00 1.00 H new ATOM 0 HG3 PRO A 32 9.619 -8.680 9.434 1.00 1.00 H new ATOM 0 HD2 PRO A 32 11.259 -7.105 7.887 1.00 1.00 H new ATOM 0 HD3 PRO A 32 10.925 -8.773 7.466 1.00 1.00 H new ATOM 463 N CYS A 33 6.403 -5.928 6.082 1.00 1.00 N ATOM 464 CA CYS A 33 5.709 -4.649 5.984 1.00 1.00 C ATOM 465 C CYS A 33 4.205 -4.869 5.850 1.00 1.00 C ATOM 466 O CYS A 33 3.734 -6.003 5.865 1.00 1.00 O ATOM 467 CB CYS A 33 6.223 -3.876 4.766 1.00 1.00 C ATOM 468 SG CYS A 33 5.648 -4.682 3.249 1.00 1.00 S ATOM 0 H CYS A 33 5.893 -6.718 5.688 1.00 1.00 H new ATOM 0 HA CYS A 33 5.902 -4.075 6.890 1.00 1.00 H new ATOM 0 HB2 CYS A 33 5.868 -2.846 4.800 1.00 1.00 H new ATOM 0 HB3 CYS A 33 7.312 -3.838 4.780 1.00 1.00 H new ATOM 0 HG CYS A 33 4.921 -3.850 2.564 1.00 1.00 H new ATOM 474 N ALA A 34 3.458 -3.776 5.716 1.00 1.00 N ATOM 475 CA ALA A 34 2.006 -3.857 5.572 1.00 1.00 C ATOM 476 C ALA A 34 1.489 -2.678 4.759 1.00 1.00 C ATOM 477 O ALA A 34 1.931 -1.543 4.940 1.00 1.00 O ATOM 478 CB ALA A 34 1.344 -3.866 6.950 1.00 1.00 C ATOM 0 H ALA A 34 3.832 -2.827 5.704 1.00 1.00 H new ATOM 0 HA ALA A 34 1.758 -4.781 5.049 1.00 1.00 H new ATOM 0 HB1 ALA A 34 0.262 -3.927 6.833 1.00 1.00 H new ATOM 0 HB2 ALA A 34 1.697 -4.727 7.517 1.00 1.00 H new ATOM 0 HB3 ALA A 34 1.601 -2.951 7.483 1.00 1.00 H new ATOM 484 N LEU A 35 0.546 -2.956 3.857 1.00 1.00 N ATOM 485 CA LEU A 35 -0.033 -1.914 3.012 1.00 1.00 C ATOM 486 C LEU A 35 -1.403 -1.520 3.541 1.00 1.00 C ATOM 487 O LEU A 35 -2.279 -2.369 3.700 1.00 1.00 O ATOM 488 CB LEU A 35 -0.171 -2.430 1.577 1.00 1.00 C ATOM 489 CG LEU A 35 1.180 -2.965 1.087 1.00 1.00 C ATOM 490 CD1 LEU A 35 1.020 -3.516 -0.335 1.00 1.00 C ATOM 491 CD2 LEU A 35 2.223 -1.838 1.094 1.00 1.00 C ATOM 0 H LEU A 35 0.169 -3.890 3.694 1.00 1.00 H new ATOM 0 HA LEU A 35 0.622 -1.043 3.024 1.00 1.00 H new ATOM 0 HB2 LEU A 35 -0.922 -3.219 1.535 1.00 1.00 H new ATOM 0 HB3 LEU A 35 -0.514 -1.628 0.923 1.00 1.00 H new ATOM 0 HG LEU A 35 1.517 -3.761 1.751 1.00 1.00 H new ATOM 0 HD11 LEU A 35 1.978 -3.897 -0.687 1.00 1.00 H new ATOM 0 HD12 LEU A 35 0.287 -4.323 -0.332 1.00 1.00 H new ATOM 0 HD13 LEU A 35 0.681 -2.720 -0.998 1.00 1.00 H new ATOM 0 HD21 LEU A 35 3.180 -2.226 0.745 1.00 1.00 H new ATOM 0 HD22 LEU A 35 1.895 -1.034 0.435 1.00 1.00 H new ATOM 0 HD23 LEU A 35 2.336 -1.453 2.107 1.00 1.00 H new ATOM 503 N THR A 36 -1.582 -0.227 3.822 1.00 1.00 N ATOM 504 CA THR A 36 -2.857 0.267 4.344 1.00 1.00 C ATOM 505 C THR A 36 -3.392 1.416 3.503 1.00 1.00 C ATOM 506 O THR A 36 -2.754 2.459 3.375 1.00 1.00 O ATOM 507 CB THR A 36 -2.674 0.728 5.794 1.00 1.00 C ATOM 508 OG1 THR A 36 -2.169 -0.350 6.568 1.00 1.00 O ATOM 509 CG2 THR A 36 -4.023 1.177 6.366 1.00 1.00 C ATOM 0 H THR A 36 -0.867 0.490 3.698 1.00 1.00 H new ATOM 0 HA THR A 36 -3.581 -0.547 4.303 1.00 1.00 H new ATOM 0 HB THR A 36 -1.973 1.562 5.824 1.00 1.00 H new ATOM 0 HG1 THR A 36 -2.049 -0.058 7.496 1.00 1.00 H new ATOM 0 HG21 THR A 36 -3.890 1.504 7.397 1.00 1.00 H new ATOM 0 HG22 THR A 36 -4.414 2.002 5.771 1.00 1.00 H new ATOM 0 HG23 THR A 36 -4.726 0.344 6.337 1.00 1.00 H new ATOM 517 N LEU A 37 -4.586 1.218 2.950 1.00 1.00 N ATOM 518 CA LEU A 37 -5.236 2.239 2.136 1.00 1.00 C ATOM 519 C LEU A 37 -6.179 3.049 3.008 1.00 1.00 C ATOM 520 O LEU A 37 -6.970 2.485 3.765 1.00 1.00 O ATOM 521 CB LEU A 37 -6.020 1.580 0.995 1.00 1.00 C ATOM 522 CG LEU A 37 -6.766 2.638 0.165 1.00 1.00 C ATOM 523 CD1 LEU A 37 -5.779 3.682 -0.385 1.00 1.00 C ATOM 524 CD2 LEU A 37 -7.498 1.945 -0.999 1.00 1.00 C ATOM 0 H LEU A 37 -5.123 0.357 3.052 1.00 1.00 H new ATOM 0 HA LEU A 37 -4.479 2.896 1.708 1.00 1.00 H new ATOM 0 HB2 LEU A 37 -5.338 1.022 0.353 1.00 1.00 H new ATOM 0 HB3 LEU A 37 -6.732 0.863 1.403 1.00 1.00 H new ATOM 0 HG LEU A 37 -7.489 3.148 0.802 1.00 1.00 H new ATOM 0 HD11 LEU A 37 -6.323 4.424 -0.970 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -5.271 4.175 0.444 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -5.043 3.188 -1.019 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -8.029 2.691 -1.591 1.00 1.00 H new ATOM 0 HD22 LEU A 37 -6.773 1.430 -1.630 1.00 1.00 H new ATOM 0 HD23 LEU A 37 -8.211 1.223 -0.602 1.00 1.00 H new ATOM 536 N ALA A 38 -6.087 4.373 2.917 1.00 1.00 N ATOM 537 CA ALA A 38 -6.939 5.241 3.727 1.00 1.00 C ATOM 538 C ALA A 38 -7.335 6.498 2.960 1.00 1.00 C ATOM 539 O ALA A 38 -6.599 6.970 2.098 1.00 1.00 O ATOM 540 CB ALA A 38 -6.202 5.631 5.010 1.00 1.00 C ATOM 0 H ALA A 38 -5.440 4.864 2.299 1.00 1.00 H new ATOM 0 HA ALA A 38 -7.848 4.693 3.974 1.00 1.00 H new ATOM 0 HB1 ALA A 38 -6.839 6.278 5.613 1.00 1.00 H new ATOM 0 HB2 ALA A 38 -5.958 4.733 5.577 1.00 1.00 H new ATOM 0 HB3 ALA A 38 -5.284 6.160 4.756 1.00 1.00 H new ATOM 546 N GLN A 39 -8.509 7.035 3.293 1.00 1.00 N ATOM 547 CA GLN A 39 -9.024 8.246 2.649 1.00 1.00 C ATOM 548 C GLN A 39 -9.090 9.380 3.666 1.00 1.00 C ATOM 549 O GLN A 39 -9.766 9.261 4.685 1.00 1.00 O ATOM 550 CB GLN A 39 -10.428 7.975 2.096 1.00 1.00 C ATOM 551 CG GLN A 39 -10.993 9.244 1.437 1.00 1.00 C ATOM 552 CD GLN A 39 -11.605 10.168 2.486 1.00 1.00 C ATOM 553 OE1 GLN A 39 -11.009 11.182 2.842 1.00 1.00 O ATOM 554 NE2 GLN A 39 -12.769 9.875 3.000 1.00 1.00 N ATOM 0 H GLN A 39 -9.125 6.649 4.009 1.00 1.00 H new ATOM 0 HA GLN A 39 -8.359 8.530 1.833 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -10.390 7.165 1.368 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -11.087 7.650 2.901 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -10.200 9.767 0.903 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -11.748 8.972 0.700 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -13.261 9.032 2.702 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -13.187 10.489 3.700 1.00 1.00 H new ATOM 563 N ARG A 40 -8.381 10.479 3.395 1.00 1.00 N ATOM 564 CA ARG A 40 -8.371 11.627 4.314 1.00 1.00 C ATOM 565 C ARG A 40 -8.708 12.919 3.576 1.00 1.00 C ATOM 566 O ARG A 40 -8.161 13.207 2.512 1.00 1.00 O ATOM 567 CB ARG A 40 -6.999 11.743 4.983 1.00 1.00 C ATOM 568 CG ARG A 40 -7.025 12.873 6.015 1.00 1.00 C ATOM 569 CD ARG A 40 -5.716 12.869 6.804 1.00 1.00 C ATOM 570 NE ARG A 40 -5.723 13.928 7.816 1.00 1.00 N ATOM 571 CZ ARG A 40 -5.315 15.162 7.532 1.00 1.00 C ATOM 572 NH1 ARG A 40 -4.931 15.463 6.322 1.00 1.00 N ATOM 573 NH2 ARG A 40 -5.302 16.076 8.465 1.00 1.00 N ATOM 0 H ARG A 40 -7.812 10.601 2.558 1.00 1.00 H new ATOM 0 HA ARG A 40 -9.131 11.465 5.078 1.00 1.00 H new ATOM 0 HB2 ARG A 40 -6.738 10.801 5.466 1.00 1.00 H new ATOM 0 HB3 ARG A 40 -6.233 11.939 4.233 1.00 1.00 H new ATOM 0 HG2 ARG A 40 -7.159 13.833 5.516 1.00 1.00 H new ATOM 0 HG3 ARG A 40 -7.870 12.744 6.691 1.00 1.00 H new ATOM 0 HD2 ARG A 40 -5.577 11.900 7.284 1.00 1.00 H new ATOM 0 HD3 ARG A 40 -4.875 13.012 6.125 1.00 1.00 H new ATOM 0 HE ARG A 40 -6.048 13.715 8.759 1.00 1.00 H new ATOM 0 HH11 ARG A 40 -4.943 14.751 5.591 1.00 1.00 H new ATOM 0 HH12 ARG A 40 -4.619 16.410 6.107 1.00 1.00 H new ATOM 0 HH21 ARG A 40 -5.605 15.844 9.411 1.00 1.00 H new ATOM 0 HH22 ARG A 40 -4.989 17.022 8.248 1.00 1.00 H new ATOM 587 N ASN A 41 -9.623 13.690 4.159 1.00 1.00 N ATOM 588 CA ASN A 41 -10.060 14.953 3.570 1.00 1.00 C ATOM 589 C ASN A 41 -10.652 14.737 2.181 1.00 1.00 C ATOM 590 O ASN A 41 -10.560 15.610 1.318 1.00 1.00 O ATOM 591 CB ASN A 41 -8.882 15.928 3.472 1.00 1.00 C ATOM 592 CG ASN A 41 -8.204 16.071 4.828 1.00 1.00 C ATOM 593 OD1 ASN A 41 -7.010 16.359 4.899 1.00 1.00 O ATOM 594 ND2 ASN A 41 -8.899 15.882 5.917 1.00 1.00 N ATOM 0 H ASN A 41 -10.078 13.461 5.043 1.00 1.00 H new ATOM 0 HA ASN A 41 -10.830 15.372 4.217 1.00 1.00 H new ATOM 0 HB2 ASN A 41 -8.164 15.570 2.734 1.00 1.00 H new ATOM 0 HB3 ASN A 41 -9.233 16.901 3.128 1.00 1.00 H new ATOM 0 HD21 ASN A 41 -8.452 15.973 6.829 1.00 1.00 H new ATOM 0 HD22 ASN A 41 -9.889 15.643 5.855 1.00 1.00 H new ATOM 601 N GLY A 42 -11.276 13.583 1.972 1.00 1.00 N ATOM 602 CA GLY A 42 -11.890 13.287 0.681 1.00 1.00 C ATOM 603 C GLY A 42 -10.842 12.904 -0.360 1.00 1.00 C ATOM 604 O GLY A 42 -11.151 12.756 -1.542 1.00 1.00 O ATOM 0 H GLY A 42 -11.370 12.845 2.670 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.606 12.473 0.795 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -12.449 14.156 0.334 1.00 1.00 H new ATOM 608 N GLN A 43 -9.599 12.748 0.090 1.00 1.00 N ATOM 609 CA GLN A 43 -8.494 12.383 -0.795 1.00 1.00 C ATOM 610 C GLN A 43 -7.995 10.979 -0.460 1.00 1.00 C ATOM 611 O GLN A 43 -7.834 10.633 0.708 1.00 1.00 O ATOM 612 CB GLN A 43 -7.364 13.409 -0.628 1.00 1.00 C ATOM 613 CG GLN A 43 -6.093 12.927 -1.330 1.00 1.00 C ATOM 614 CD GLN A 43 -6.391 12.613 -2.792 1.00 1.00 C ATOM 615 OE1 GLN A 43 -6.232 11.395 -3.233 1.00 1.00 O flip ATOM 616 NE2 GLN A 43 -6.780 13.499 -3.553 1.00 1.00 N flip ATOM 0 H GLN A 43 -9.331 12.869 1.067 1.00 1.00 H new ATOM 0 HA GLN A 43 -8.834 12.385 -1.830 1.00 1.00 H new ATOM 0 HB2 GLN A 43 -7.673 14.369 -1.041 1.00 1.00 H new ATOM 0 HB3 GLN A 43 -7.163 13.568 0.431 1.00 1.00 H new ATOM 0 HG2 GLN A 43 -5.319 13.692 -1.264 1.00 1.00 H new ATOM 0 HG3 GLN A 43 -5.706 12.039 -0.830 1.00 1.00 H new ATOM 0 HE21 GLN A 43 -6.904 14.450 -3.207 1.00 1.00 H new ATOM 0 HE22 GLN A 43 -6.979 13.282 -4.530 1.00 1.00 H new ATOM 625 N TYR A 44 -7.736 10.176 -1.491 1.00 1.00 N ATOM 626 CA TYR A 44 -7.241 8.821 -1.275 1.00 1.00 C ATOM 627 C TYR A 44 -5.738 8.846 -1.033 1.00 1.00 C ATOM 628 O TYR A 44 -4.996 9.519 -1.749 1.00 1.00 O ATOM 629 CB TYR A 44 -7.538 7.950 -2.499 1.00 1.00 C ATOM 630 CG TYR A 44 -9.015 7.653 -2.573 1.00 1.00 C ATOM 631 CD1 TYR A 44 -9.887 8.574 -3.166 1.00 1.00 C ATOM 632 CD2 TYR A 44 -9.514 6.449 -2.056 1.00 1.00 C ATOM 633 CE1 TYR A 44 -11.257 8.296 -3.239 1.00 1.00 C ATOM 634 CE2 TYR A 44 -10.885 6.172 -2.131 1.00 1.00 C ATOM 635 CZ TYR A 44 -11.755 7.094 -2.722 1.00 1.00 C ATOM 636 OH TYR A 44 -13.106 6.820 -2.797 1.00 1.00 O ATOM 0 H TYR A 44 -7.859 10.436 -2.470 1.00 1.00 H new ATOM 0 HA TYR A 44 -7.743 8.404 -0.402 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -7.215 8.461 -3.406 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -6.974 7.019 -2.439 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -9.502 9.500 -3.568 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -8.842 5.736 -1.601 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -11.929 9.008 -3.694 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -11.271 5.245 -1.732 1.00 1.00 H new ATOM 0 HH TYR A 44 -13.285 5.945 -2.393 1.00 1.00 H new ATOM 646 N GLU A 45 -5.290 8.104 -0.024 1.00 1.00 N ATOM 647 CA GLU A 45 -3.867 8.038 0.302 1.00 1.00 C ATOM 648 C GLU A 45 -3.496 6.638 0.779 1.00 1.00 C ATOM 649 O GLU A 45 -4.251 6.004 1.517 1.00 1.00 O ATOM 650 CB GLU A 45 -3.511 9.076 1.374 1.00 1.00 C ATOM 651 CG GLU A 45 -4.294 8.813 2.664 1.00 1.00 C ATOM 652 CD GLU A 45 -3.866 9.811 3.735 1.00 1.00 C ATOM 653 OE1 GLU A 45 -2.709 10.200 3.726 1.00 1.00 O ATOM 654 OE2 GLU A 45 -4.700 10.172 4.548 1.00 1.00 O ATOM 0 H GLU A 45 -5.889 7.542 0.581 1.00 1.00 H new ATOM 0 HA GLU A 45 -3.297 8.262 -0.600 1.00 1.00 H new ATOM 0 HB2 GLU A 45 -2.441 9.042 1.579 1.00 1.00 H new ATOM 0 HB3 GLU A 45 -3.733 10.077 1.006 1.00 1.00 H new ATOM 0 HG2 GLU A 45 -5.364 8.902 2.476 1.00 1.00 H new ATOM 0 HG3 GLU A 45 -4.115 7.795 3.009 1.00 1.00 H new ATOM 661 N LEU A 46 -2.332 6.156 0.346 1.00 1.00 N ATOM 662 CA LEU A 46 -1.866 4.821 0.725 1.00 1.00 C ATOM 663 C LEU A 46 -0.697 4.941 1.698 1.00 1.00 C ATOM 664 O LEU A 46 0.345 5.505 1.363 1.00 1.00 O ATOM 665 CB LEU A 46 -1.416 4.067 -0.537 1.00 1.00 C ATOM 666 CG LEU A 46 -1.376 2.551 -0.281 1.00 1.00 C ATOM 667 CD1 LEU A 46 -1.079 1.827 -1.599 1.00 1.00 C ATOM 668 CD2 LEU A 46 -0.281 2.212 0.745 1.00 1.00 C ATOM 0 H LEU A 46 -1.695 6.667 -0.265 1.00 1.00 H new ATOM 0 HA LEU A 46 -2.676 4.274 1.208 1.00 1.00 H new ATOM 0 HB2 LEU A 46 -2.099 4.284 -1.359 1.00 1.00 H new ATOM 0 HB3 LEU A 46 -0.429 4.415 -0.842 1.00 1.00 H new ATOM 0 HG LEU A 46 -2.340 2.230 0.113 1.00 1.00 H new ATOM 0 HD11 LEU A 46 -1.049 0.751 -1.425 1.00 1.00 H new ATOM 0 HD12 LEU A 46 -1.860 2.056 -2.324 1.00 1.00 H new ATOM 0 HD13 LEU A 46 -0.116 2.158 -1.987 1.00 1.00 H new ATOM 0 HD21 LEU A 46 -0.264 1.136 0.917 1.00 1.00 H new ATOM 0 HD22 LEU A 46 0.688 2.534 0.363 1.00 1.00 H new ATOM 0 HD23 LEU A 46 -0.490 2.726 1.683 1.00 1.00 H new ATOM 680 N ILE A 47 -0.874 4.398 2.900 1.00 1.00 N ATOM 681 CA ILE A 47 0.175 4.436 3.917 1.00 1.00 C ATOM 682 C ILE A 47 0.923 3.113 3.945 1.00 1.00 C ATOM 683 O ILE A 47 0.334 2.063 4.199 1.00 1.00 O ATOM 684 CB ILE A 47 -0.433 4.685 5.300 1.00 1.00 C ATOM 685 CG1 ILE A 47 -1.153 6.036 5.318 1.00 1.00 C ATOM 686 CG2 ILE A 47 0.679 4.682 6.351 1.00 1.00 C ATOM 687 CD1 ILE A 47 -1.964 6.163 6.611 1.00 1.00 C ATOM 0 H ILE A 47 -1.730 3.928 3.193 1.00 1.00 H new ATOM 0 HA ILE A 47 0.862 5.245 3.668 1.00 1.00 H new ATOM 0 HB ILE A 47 -1.151 3.896 5.525 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -0.429 6.848 5.249 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -1.811 6.121 4.453 1.00 1.00 H new ATOM 0 HG21 ILE A 47 0.249 4.859 7.337 1.00 1.00 H new ATOM 0 HG22 ILE A 47 1.184 3.716 6.344 1.00 1.00 H new ATOM 0 HG23 ILE A 47 1.398 5.469 6.122 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -2.477 7.124 6.626 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -2.698 5.359 6.660 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -1.294 6.096 7.469 1.00 1.00 H new ATOM 699 N ILE A 48 2.229 3.169 3.697 1.00 1.00 N ATOM 700 CA ILE A 48 3.050 1.962 3.714 1.00 1.00 C ATOM 701 C ILE A 48 3.728 1.834 5.071 1.00 1.00 C ATOM 702 O ILE A 48 4.520 2.690 5.463 1.00 1.00 O ATOM 703 CB ILE A 48 4.111 2.026 2.612 1.00 1.00 C ATOM 704 CG1 ILE A 48 3.426 2.204 1.252 1.00 1.00 C ATOM 705 CG2 ILE A 48 4.920 0.729 2.608 1.00 1.00 C ATOM 706 CD1 ILE A 48 4.478 2.377 0.149 1.00 1.00 C ATOM 0 H ILE A 48 2.737 4.027 3.484 1.00 1.00 H new ATOM 0 HA ILE A 48 2.413 1.095 3.537 1.00 1.00 H new ATOM 0 HB ILE A 48 4.776 2.869 2.797 1.00 1.00 H new ATOM 0 HG12 ILE A 48 2.800 1.338 1.036 1.00 1.00 H new ATOM 0 HG13 ILE A 48 2.769 3.074 1.278 1.00 1.00 H new ATOM 0 HG21 ILE A 48 5.676 0.774 1.824 1.00 1.00 H new ATOM 0 HG22 ILE A 48 5.407 0.601 3.575 1.00 1.00 H new ATOM 0 HG23 ILE A 48 4.255 -0.114 2.423 1.00 1.00 H new ATOM 0 HD11 ILE A 48 3.980 2.503 -0.812 1.00 1.00 H new ATOM 0 HD12 ILE A 48 5.086 3.257 0.361 1.00 1.00 H new ATOM 0 HD13 ILE A 48 5.117 1.495 0.114 1.00 1.00 H new ATOM 718 N GLN A 49 3.402 0.764 5.793 1.00 1.00 N ATOM 719 CA GLN A 49 3.975 0.537 7.119 1.00 1.00 C ATOM 720 C GLN A 49 5.075 -0.510 7.063 1.00 1.00 C ATOM 721 O GLN A 49 4.891 -1.587 6.506 1.00 1.00 O ATOM 722 CB GLN A 49 2.890 0.065 8.079 1.00 1.00 C ATOM 723 CG GLN A 49 1.879 1.187 8.292 1.00 1.00 C ATOM 724 CD GLN A 49 0.855 0.761 9.333 1.00 1.00 C ATOM 725 OE1 GLN A 49 0.861 1.346 10.496 1.00 1.00 O flip ATOM 726 NE2 GLN A 49 0.046 -0.132 9.087 1.00 1.00 N flip ATOM 0 H GLN A 49 2.748 0.044 5.485 1.00 1.00 H new ATOM 0 HA GLN A 49 4.399 1.478 7.469 1.00 1.00 H new ATOM 0 HB2 GLN A 49 2.392 -0.817 7.677 1.00 1.00 H new ATOM 0 HB3 GLN A 49 3.333 -0.226 9.031 1.00 1.00 H new ATOM 0 HG2 GLN A 49 2.390 2.093 8.619 1.00 1.00 H new ATOM 0 HG3 GLN A 49 1.380 1.424 7.352 1.00 1.00 H new ATOM 0 HE21 GLN A 49 0.048 -0.585 8.173 1.00 1.00 H new ATOM 0 HE22 GLN A 49 -0.627 -0.420 9.797 1.00 1.00 H new ATOM 735 N LEU A 50 6.217 -0.191 7.667 1.00 1.00 N ATOM 736 CA LEU A 50 7.352 -1.117 7.710 1.00 1.00 C ATOM 737 C LEU A 50 7.544 -1.620 9.137 1.00 1.00 C ATOM 738 O LEU A 50 7.647 -0.831 10.075 1.00 1.00 O ATOM 739 CB LEU A 50 8.636 -0.414 7.228 1.00 1.00 C ATOM 740 CG LEU A 50 8.745 -0.485 5.700 1.00 1.00 C ATOM 741 CD1 LEU A 50 7.490 0.110 5.053 1.00 1.00 C ATOM 742 CD2 LEU A 50 9.979 0.302 5.247 1.00 1.00 C ATOM 0 H LEU A 50 6.384 0.700 8.134 1.00 1.00 H new ATOM 0 HA LEU A 50 7.147 -1.960 7.050 1.00 1.00 H new ATOM 0 HB2 LEU A 50 8.631 0.627 7.550 1.00 1.00 H new ATOM 0 HB3 LEU A 50 9.508 -0.884 7.683 1.00 1.00 H new ATOM 0 HG LEU A 50 8.838 -1.527 5.394 1.00 1.00 H new ATOM 0 HD11 LEU A 50 7.579 0.054 3.968 1.00 1.00 H new ATOM 0 HD12 LEU A 50 6.613 -0.452 5.375 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.384 1.152 5.355 1.00 1.00 H new ATOM 0 HD21 LEU A 50 10.062 0.255 4.161 1.00 1.00 H new ATOM 0 HD22 LEU A 50 9.882 1.342 5.559 1.00 1.00 H new ATOM 0 HD23 LEU A 50 10.872 -0.130 5.698 1.00 1.00 H new ATOM 754 N HIS A 51 7.592 -2.938 9.292 1.00 1.00 N ATOM 755 CA HIS A 51 7.773 -3.537 10.610 1.00 1.00 C ATOM 756 C HIS A 51 9.257 -3.619 10.953 1.00 1.00 C ATOM 757 O HIS A 51 9.764 -4.683 11.307 1.00 1.00 O ATOM 758 CB HIS A 51 7.158 -4.938 10.633 1.00 1.00 C ATOM 759 CG HIS A 51 5.678 -4.845 10.378 1.00 1.00 C ATOM 760 ND1 HIS A 51 4.810 -4.243 11.275 1.00 1.00 N ATOM 761 CD2 HIS A 51 4.899 -5.273 9.333 1.00 1.00 C ATOM 762 CE1 HIS A 51 3.569 -4.326 10.757 1.00 1.00 C ATOM 763 NE2 HIS A 51 3.567 -4.944 9.575 1.00 1.00 N ATOM 0 H HIS A 51 7.509 -3.609 8.528 1.00 1.00 H new ATOM 0 HA HIS A 51 7.274 -2.913 11.351 1.00 1.00 H new ATOM 0 HB2 HIS A 51 7.629 -5.565 9.876 1.00 1.00 H new ATOM 0 HB3 HIS A 51 7.342 -5.411 11.598 1.00 1.00 H new ATOM 0 HD1 HIS A 51 5.064 -3.815 12.165 1.00 1.00 H new ATOM 0 HD2 HIS A 51 5.263 -5.787 8.456 1.00 1.00 H new ATOM 0 HE1 HIS A 51 2.684 -3.939 11.240 1.00 1.00 H new ATOM 771 N GLU A 52 9.947 -2.485 10.846 1.00 1.00 N ATOM 772 CA GLU A 52 11.375 -2.438 11.146 1.00 1.00 C ATOM 773 C GLU A 52 11.667 -3.179 12.447 1.00 1.00 C ATOM 774 O GLU A 52 10.804 -3.284 13.318 1.00 1.00 O ATOM 775 CB GLU A 52 11.841 -0.984 11.271 1.00 1.00 C ATOM 776 CG GLU A 52 11.751 -0.299 9.907 1.00 1.00 C ATOM 777 CD GLU A 52 12.135 1.173 10.031 1.00 1.00 C ATOM 778 OE1 GLU A 52 12.485 1.584 11.126 1.00 1.00 O ATOM 779 OE2 GLU A 52 12.075 1.867 9.029 1.00 1.00 O ATOM 0 H GLU A 52 9.544 -1.594 10.556 1.00 1.00 H new ATOM 0 HA GLU A 52 11.915 -2.920 10.331 1.00 1.00 H new ATOM 0 HB2 GLU A 52 11.224 -0.455 11.997 1.00 1.00 H new ATOM 0 HB3 GLU A 52 12.866 -0.950 11.640 1.00 1.00 H new ATOM 0 HG2 GLU A 52 12.412 -0.797 9.198 1.00 1.00 H new ATOM 0 HG3 GLU A 52 10.738 -0.386 9.514 1.00 1.00 H new ATOM 786 N LYS A 53 12.883 -3.697 12.570 1.00 1.00 N ATOM 787 CA LYS A 53 13.266 -4.430 13.769 1.00 1.00 C ATOM 788 C LYS A 53 13.193 -3.522 14.992 1.00 1.00 C ATOM 789 O LYS A 53 12.758 -3.941 16.064 1.00 1.00 O ATOM 790 CB LYS A 53 14.686 -4.980 13.620 1.00 1.00 C ATOM 791 CG LYS A 53 14.713 -6.041 12.517 1.00 1.00 C ATOM 792 CD LYS A 53 16.129 -6.608 12.384 1.00 1.00 C ATOM 793 CE LYS A 53 16.146 -7.709 11.322 1.00 1.00 C ATOM 794 NZ LYS A 53 15.734 -7.141 10.007 1.00 1.00 N ATOM 0 H LYS A 53 13.614 -3.624 11.862 1.00 1.00 H new ATOM 0 HA LYS A 53 12.573 -5.260 13.902 1.00 1.00 H new ATOM 0 HB2 LYS A 53 15.376 -4.172 13.378 1.00 1.00 H new ATOM 0 HB3 LYS A 53 15.020 -5.413 14.563 1.00 1.00 H new ATOM 0 HG2 LYS A 53 14.011 -6.841 12.751 1.00 1.00 H new ATOM 0 HG3 LYS A 53 14.395 -5.604 11.570 1.00 1.00 H new ATOM 0 HD2 LYS A 53 16.825 -5.815 12.110 1.00 1.00 H new ATOM 0 HD3 LYS A 53 16.462 -7.008 13.342 1.00 1.00 H new ATOM 0 HE2 LYS A 53 17.144 -8.140 11.247 1.00 1.00 H new ATOM 0 HE3 LYS A 53 15.471 -8.515 11.609 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 16.045 -7.774 9.243 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 14.699 -7.046 9.979 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 16.171 -6.206 9.881 1.00 1.00 H new ATOM 808 N GLU A 54 13.624 -2.275 14.824 1.00 1.00 N ATOM 809 CA GLU A 54 13.606 -1.318 15.927 1.00 1.00 C ATOM 810 C GLU A 54 12.174 -1.070 16.397 1.00 1.00 C ATOM 811 O GLU A 54 11.892 -1.074 17.596 1.00 1.00 O ATOM 812 CB GLU A 54 14.220 0.012 15.481 1.00 1.00 C ATOM 813 CG GLU A 54 15.563 -0.242 14.796 1.00 1.00 C ATOM 814 CD GLU A 54 16.548 -0.863 15.781 1.00 1.00 C ATOM 815 OE1 GLU A 54 16.317 -0.745 16.974 1.00 1.00 O ATOM 816 OE2 GLU A 54 17.519 -1.446 15.328 1.00 1.00 O ATOM 0 H GLU A 54 13.986 -1.906 13.945 1.00 1.00 H new ATOM 0 HA GLU A 54 14.189 -1.735 16.748 1.00 1.00 H new ATOM 0 HB2 GLU A 54 13.543 0.524 14.797 1.00 1.00 H new ATOM 0 HB3 GLU A 54 14.358 0.666 16.342 1.00 1.00 H new ATOM 0 HG2 GLU A 54 15.424 -0.905 13.942 1.00 1.00 H new ATOM 0 HG3 GLU A 54 15.965 0.695 14.410 1.00 1.00 H new ATOM 823 N GLN A 55 11.275 -0.850 15.442 1.00 1.00 N ATOM 824 CA GLN A 55 9.872 -0.598 15.765 1.00 1.00 C ATOM 825 C GLN A 55 9.028 -0.547 14.497 1.00 1.00 C ATOM 826 O GLN A 55 9.458 -0.999 13.435 1.00 1.00 O ATOM 827 CB GLN A 55 9.735 0.728 16.526 1.00 1.00 C ATOM 828 CG GLN A 55 10.203 1.889 15.641 1.00 1.00 C ATOM 829 CD GLN A 55 10.161 3.194 16.431 1.00 1.00 C ATOM 830 OE1 GLN A 55 10.600 3.240 17.581 1.00 1.00 O ATOM 831 NE2 GLN A 55 9.656 4.265 15.879 1.00 1.00 N ATOM 0 H GLN A 55 11.489 -0.841 14.445 1.00 1.00 H new ATOM 0 HA GLN A 55 9.515 -1.415 16.393 1.00 1.00 H new ATOM 0 HB2 GLN A 55 8.698 0.881 16.823 1.00 1.00 H new ATOM 0 HB3 GLN A 55 10.327 0.695 17.441 1.00 1.00 H new ATOM 0 HG2 GLN A 55 11.216 1.701 15.286 1.00 1.00 H new ATOM 0 HG3 GLN A 55 9.566 1.966 14.760 1.00 1.00 H new ATOM 0 HE21 GLN A 55 9.293 4.225 14.927 1.00 1.00 H new ATOM 0 HE22 GLN A 55 9.625 5.141 16.400 1.00 1.00 H new ATOM 840 N HIS A 56 7.823 0.012 14.610 1.00 1.00 N ATOM 841 CA HIS A 56 6.921 0.131 13.464 1.00 1.00 C ATOM 842 C HIS A 56 6.833 1.586 13.020 1.00 1.00 C ATOM 843 O HIS A 56 6.541 2.472 13.824 1.00 1.00 O ATOM 844 CB HIS A 56 5.523 -0.370 13.841 1.00 1.00 C ATOM 845 CG HIS A 56 5.578 -1.844 14.144 1.00 1.00 C ATOM 846 ND1 HIS A 56 4.487 -2.536 14.647 1.00 1.00 N ATOM 847 CD2 HIS A 56 6.583 -2.770 14.017 1.00 1.00 C ATOM 848 CE1 HIS A 56 4.858 -3.819 14.804 1.00 1.00 C ATOM 849 NE2 HIS A 56 6.126 -4.017 14.435 1.00 1.00 N ATOM 0 H HIS A 56 7.449 0.389 15.481 1.00 1.00 H new ATOM 0 HA HIS A 56 7.313 -0.474 12.647 1.00 1.00 H new ATOM 0 HB2 HIS A 56 5.152 0.176 14.708 1.00 1.00 H new ATOM 0 HB3 HIS A 56 4.826 -0.182 13.024 1.00 1.00 H new ATOM 0 HD2 HIS A 56 7.577 -2.563 13.649 1.00 1.00 H new ATOM 0 HE1 HIS A 56 4.209 -4.595 15.183 1.00 1.00 H new ATOM 0 HE2 HIS A 56 6.648 -4.893 14.455 1.00 1.00 H new ATOM 857 N VAL A 57 7.093 1.829 11.735 1.00 1.00 N ATOM 858 CA VAL A 57 7.050 3.187 11.182 1.00 1.00 C ATOM 859 C VAL A 57 6.075 3.256 10.017 1.00 1.00 C ATOM 860 O VAL A 57 6.033 2.363 9.170 1.00 1.00 O ATOM 861 CB VAL A 57 8.432 3.606 10.701 1.00 1.00 C ATOM 862 CG1 VAL A 57 8.377 5.042 10.174 1.00 1.00 C ATOM 863 CG2 VAL A 57 9.425 3.520 11.863 1.00 1.00 C ATOM 0 H VAL A 57 7.335 1.106 11.057 1.00 1.00 H new ATOM 0 HA VAL A 57 6.719 3.863 11.970 1.00 1.00 H new ATOM 0 HB VAL A 57 8.756 2.941 9.900 1.00 1.00 H new ATOM 0 HG11 VAL A 57 9.367 5.341 9.830 1.00 1.00 H new ATOM 0 HG12 VAL A 57 7.672 5.098 9.345 1.00 1.00 H new ATOM 0 HG13 VAL A 57 8.053 5.710 10.972 1.00 1.00 H new ATOM 0 HG21 VAL A 57 10.415 3.820 11.519 1.00 1.00 H new ATOM 0 HG22 VAL A 57 9.104 4.183 12.666 1.00 1.00 H new ATOM 0 HG23 VAL A 57 9.465 2.495 12.233 1.00 1.00 H new ATOM 873 N GLN A 58 5.289 4.324 9.989 1.00 1.00 N ATOM 874 CA GLN A 58 4.295 4.526 8.935 1.00 1.00 C ATOM 875 C GLN A 58 4.760 5.585 7.940 1.00 1.00 C ATOM 876 O GLN A 58 5.178 6.677 8.323 1.00 1.00 O ATOM 877 CB GLN A 58 2.961 4.949 9.563 1.00 1.00 C ATOM 878 CG GLN A 58 3.060 6.388 10.076 1.00 1.00 C ATOM 879 CD GLN A 58 1.869 6.708 10.971 1.00 1.00 C ATOM 880 OE1 GLN A 58 1.135 7.758 10.717 1.00 1.00 O flip ATOM 881 NE2 GLN A 58 1.595 5.980 11.924 1.00 1.00 N flip ATOM 0 H GLN A 58 5.318 5.068 10.686 1.00 1.00 H new ATOM 0 HA GLN A 58 4.166 3.588 8.396 1.00 1.00 H new ATOM 0 HB2 GLN A 58 2.161 4.870 8.827 1.00 1.00 H new ATOM 0 HB3 GLN A 58 2.706 4.278 10.383 1.00 1.00 H new ATOM 0 HG2 GLN A 58 3.988 6.521 10.631 1.00 1.00 H new ATOM 0 HG3 GLN A 58 3.089 7.081 9.235 1.00 1.00 H new ATOM 0 HE21 GLN A 58 2.169 5.160 12.121 1.00 1.00 H new ATOM 0 HE22 GLN A 58 0.794 6.196 12.517 1.00 1.00 H new ATOM 890 N ASP A 59 4.666 5.250 6.657 1.00 1.00 N ATOM 891 CA ASP A 59 5.054 6.165 5.583 1.00 1.00 C ATOM 892 C ASP A 59 3.806 6.675 4.871 1.00 1.00 C ATOM 893 O ASP A 59 3.034 5.891 4.324 1.00 1.00 O ATOM 894 CB ASP A 59 5.961 5.448 4.582 1.00 1.00 C ATOM 895 CG ASP A 59 7.328 5.197 5.208 1.00 1.00 C ATOM 896 OD1 ASP A 59 7.608 5.796 6.233 1.00 1.00 O ATOM 897 OD2 ASP A 59 8.077 4.411 4.652 1.00 1.00 O ATOM 0 H ASP A 59 4.323 4.346 6.332 1.00 1.00 H new ATOM 0 HA ASP A 59 5.598 7.007 6.012 1.00 1.00 H new ATOM 0 HB2 ASP A 59 5.510 4.502 4.282 1.00 1.00 H new ATOM 0 HB3 ASP A 59 6.069 6.050 3.680 1.00 1.00 H new ATOM 902 N ILE A 60 3.604 7.990 4.891 1.00 1.00 N ATOM 903 CA ILE A 60 2.430 8.583 4.252 1.00 1.00 C ATOM 904 C ILE A 60 2.751 8.976 2.816 1.00 1.00 C ATOM 905 O ILE A 60 3.640 9.788 2.568 1.00 1.00 O ATOM 906 CB ILE A 60 1.988 9.818 5.040 1.00 1.00 C ATOM 907 CG1 ILE A 60 1.532 9.392 6.437 1.00 1.00 C ATOM 908 CG2 ILE A 60 0.827 10.503 4.316 1.00 1.00 C ATOM 909 CD1 ILE A 60 1.367 10.631 7.321 1.00 1.00 C ATOM 0 H ILE A 60 4.230 8.660 5.337 1.00 1.00 H new ATOM 0 HA ILE A 60 1.624 7.849 4.242 1.00 1.00 H new ATOM 0 HB ILE A 60 2.824 10.512 5.122 1.00 1.00 H new ATOM 0 HG12 ILE A 60 0.589 8.849 6.373 1.00 1.00 H new ATOM 0 HG13 ILE A 60 2.261 8.712 6.878 1.00 1.00 H new ATOM 0 HG21 ILE A 60 0.515 11.382 4.880 1.00 1.00 H new ATOM 0 HG22 ILE A 60 1.148 10.806 3.319 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -0.010 9.809 4.232 1.00 1.00 H new ATOM 0 HD11 ILE A 60 1.042 10.327 8.316 1.00 1.00 H new ATOM 0 HD12 ILE A 60 2.320 11.155 7.395 1.00 1.00 H new ATOM 0 HD13 ILE A 60 0.621 11.294 6.883 1.00 1.00 H new ATOM 921 N ILE A 61 2.017 8.382 1.877 1.00 1.00 N ATOM 922 CA ILE A 61 2.212 8.649 0.449 1.00 1.00 C ATOM 923 C ILE A 61 0.859 8.840 -0.245 1.00 1.00 C ATOM 924 O ILE A 61 0.233 7.862 -0.653 1.00 1.00 O ATOM 925 CB ILE A 61 2.940 7.467 -0.200 1.00 1.00 C ATOM 926 CG1 ILE A 61 4.196 7.123 0.610 1.00 1.00 C ATOM 927 CG2 ILE A 61 3.346 7.845 -1.626 1.00 1.00 C ATOM 928 CD1 ILE A 61 4.825 5.838 0.065 1.00 1.00 C ATOM 0 H ILE A 61 1.278 7.709 2.079 1.00 1.00 H new ATOM 0 HA ILE A 61 2.805 9.557 0.342 1.00 1.00 H new ATOM 0 HB ILE A 61 2.277 6.602 -0.221 1.00 1.00 H new ATOM 0 HG12 ILE A 61 4.913 7.942 0.554 1.00 1.00 H new ATOM 0 HG13 ILE A 61 3.939 6.996 1.662 1.00 1.00 H new ATOM 0 HG21 ILE A 61 3.864 7.006 -2.091 1.00 1.00 H new ATOM 0 HG22 ILE A 61 2.455 8.088 -2.206 1.00 1.00 H new ATOM 0 HG23 ILE A 61 4.008 8.711 -1.599 1.00 1.00 H new ATOM 0 HD11 ILE A 61 5.717 5.596 0.643 1.00 1.00 H new ATOM 0 HD12 ILE A 61 4.109 5.020 0.144 1.00 1.00 H new ATOM 0 HD13 ILE A 61 5.098 5.981 -0.981 1.00 1.00 H new ATOM 940 N PRO A 62 0.387 10.060 -0.388 1.00 1.00 N ATOM 941 CA PRO A 62 -0.929 10.330 -1.047 1.00 1.00 C ATOM 942 C PRO A 62 -1.015 9.736 -2.458 1.00 1.00 C ATOM 943 O PRO A 62 -0.039 9.739 -3.209 1.00 1.00 O ATOM 944 CB PRO A 62 -1.014 11.868 -1.080 1.00 1.00 C ATOM 945 CG PRO A 62 -0.098 12.329 0.007 1.00 1.00 C ATOM 946 CD PRO A 62 1.032 11.305 0.062 1.00 1.00 C ATOM 0 HA PRO A 62 -1.755 9.867 -0.508 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -0.705 12.260 -2.049 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -2.034 12.211 -0.908 1.00 1.00 H new ATOM 0 HG2 PRO A 62 0.288 13.326 -0.204 1.00 1.00 H new ATOM 0 HG3 PRO A 62 -0.621 12.385 0.961 1.00 1.00 H new ATOM 0 HD2 PRO A 62 1.861 11.586 -0.588 1.00 1.00 H new ATOM 0 HD3 PRO A 62 1.436 11.207 1.069 1.00 1.00 H new ATOM 954 N ILE A 63 -2.200 9.232 -2.799 1.00 1.00 N ATOM 955 CA ILE A 63 -2.429 8.637 -4.111 1.00 1.00 C ATOM 956 C ILE A 63 -2.719 9.723 -5.143 1.00 1.00 C ATOM 957 O ILE A 63 -3.622 10.541 -4.966 1.00 1.00 O ATOM 958 CB ILE A 63 -3.602 7.651 -4.027 1.00 1.00 C ATOM 959 CG1 ILE A 63 -3.187 6.450 -3.170 1.00 1.00 C ATOM 960 CG2 ILE A 63 -3.983 7.165 -5.427 1.00 1.00 C ATOM 961 CD1 ILE A 63 -4.420 5.627 -2.787 1.00 1.00 C ATOM 0 H ILE A 63 -3.014 9.225 -2.185 1.00 1.00 H new ATOM 0 HA ILE A 63 -1.533 8.101 -4.423 1.00 1.00 H new ATOM 0 HB ILE A 63 -4.460 8.152 -3.579 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -2.481 5.828 -3.720 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -2.676 6.794 -2.271 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -4.816 6.466 -5.355 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -4.276 8.017 -6.041 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -3.129 6.665 -5.884 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -4.115 4.776 -2.178 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -5.111 6.250 -2.219 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -4.913 5.268 -3.691 1.00 1.00 H new ATOM 973 N ASN A 64 -1.934 9.722 -6.215 1.00 1.00 N ATOM 974 CA ASN A 64 -2.088 10.709 -7.275 1.00 1.00 C ATOM 975 C ASN A 64 -1.174 10.363 -8.454 1.00 1.00 C ATOM 976 O ASN A 64 -0.694 9.236 -8.563 1.00 1.00 O ATOM 977 CB ASN A 64 -1.766 12.104 -6.729 1.00 1.00 C ATOM 978 CG ASN A 64 -0.531 12.044 -5.837 1.00 1.00 C ATOM 979 OD1 ASN A 64 0.272 11.118 -5.949 1.00 1.00 O ATOM 980 ND2 ASN A 64 -0.332 12.982 -4.951 1.00 1.00 N ATOM 0 H ASN A 64 -1.185 9.048 -6.372 1.00 1.00 H new ATOM 0 HA ASN A 64 -3.119 10.701 -7.630 1.00 1.00 H new ATOM 0 HB2 ASN A 64 -1.595 12.796 -7.554 1.00 1.00 H new ATOM 0 HB3 ASN A 64 -2.615 12.487 -6.163 1.00 1.00 H new ATOM 0 HD21 ASN A 64 0.491 12.949 -4.349 1.00 1.00 H new ATOM 0 HD22 ASN A 64 -0.999 13.748 -4.861 1.00 1.00 H new ATOM 987 N SER A 65 -0.950 11.330 -9.335 1.00 1.00 N ATOM 988 CA SER A 65 -0.107 11.111 -10.506 1.00 1.00 C ATOM 989 C SER A 65 1.311 10.706 -10.109 1.00 1.00 C ATOM 990 O SER A 65 1.910 9.830 -10.736 1.00 1.00 O ATOM 991 CB SER A 65 -0.054 12.385 -11.349 1.00 1.00 C ATOM 992 OG SER A 65 0.733 12.152 -12.509 1.00 1.00 O ATOM 0 H SER A 65 -1.338 12.270 -9.262 1.00 1.00 H new ATOM 0 HA SER A 65 -0.544 10.297 -11.085 1.00 1.00 H new ATOM 0 HB2 SER A 65 -1.062 12.687 -11.635 1.00 1.00 H new ATOM 0 HB3 SER A 65 0.371 13.202 -10.766 1.00 1.00 H new ATOM 0 HG SER A 65 0.766 12.968 -13.051 1.00 1.00 H new ATOM 998 N HIS A 66 1.851 11.352 -9.081 1.00 1.00 N ATOM 999 CA HIS A 66 3.207 11.048 -8.631 1.00 1.00 C ATOM 1000 C HIS A 66 3.274 9.669 -7.978 1.00 1.00 C ATOM 1001 O HIS A 66 4.357 9.121 -7.778 1.00 1.00 O ATOM 1002 CB HIS A 66 3.696 12.130 -7.655 1.00 1.00 C ATOM 1003 CG HIS A 66 3.056 11.949 -6.303 1.00 1.00 C ATOM 1004 ND1 HIS A 66 3.221 10.794 -5.553 1.00 1.00 N ATOM 1005 CD2 HIS A 66 2.259 12.774 -5.549 1.00 1.00 C ATOM 1006 CE1 HIS A 66 2.539 10.955 -4.405 1.00 1.00 C ATOM 1007 NE2 HIS A 66 1.934 12.144 -4.351 1.00 1.00 N ATOM 0 H HIS A 66 1.378 12.082 -8.548 1.00 1.00 H new ATOM 0 HA HIS A 66 3.861 11.037 -9.503 1.00 1.00 H new ATOM 0 HB2 HIS A 66 4.781 12.079 -7.560 1.00 1.00 H new ATOM 0 HB3 HIS A 66 3.456 13.118 -8.048 1.00 1.00 H new ATOM 0 HD1 HIS A 66 3.761 9.972 -5.823 1.00 1.00 H new ATOM 0 HD2 HIS A 66 1.934 13.762 -5.841 1.00 1.00 H new ATOM 0 HE1 HIS A 66 2.487 10.213 -3.622 1.00 1.00 H new ATOM 1015 N PHE A 67 2.110 9.111 -7.650 1.00 1.00 N ATOM 1016 CA PHE A 67 2.038 7.790 -7.019 1.00 1.00 C ATOM 1017 C PHE A 67 1.345 6.797 -7.952 1.00 1.00 C ATOM 1018 O PHE A 67 0.245 7.054 -8.441 1.00 1.00 O ATOM 1019 CB PHE A 67 1.263 7.896 -5.697 1.00 1.00 C ATOM 1020 CG PHE A 67 0.868 6.518 -5.206 1.00 1.00 C ATOM 1021 CD1 PHE A 67 -0.274 5.899 -5.726 1.00 1.00 C ATOM 1022 CD2 PHE A 67 1.638 5.865 -4.235 1.00 1.00 C ATOM 1023 CE1 PHE A 67 -0.648 4.628 -5.278 1.00 1.00 C ATOM 1024 CE2 PHE A 67 1.262 4.592 -3.788 1.00 1.00 C ATOM 1025 CZ PHE A 67 0.119 3.975 -4.309 1.00 1.00 C ATOM 0 H PHE A 67 1.204 9.551 -7.810 1.00 1.00 H new ATOM 0 HA PHE A 67 3.048 7.433 -6.819 1.00 1.00 H new ATOM 0 HB2 PHE A 67 1.877 8.394 -4.947 1.00 1.00 H new ATOM 0 HB3 PHE A 67 0.372 8.508 -5.838 1.00 1.00 H new ATOM 0 HD1 PHE A 67 -0.867 6.403 -6.474 1.00 1.00 H new ATOM 0 HD2 PHE A 67 2.519 6.342 -3.832 1.00 1.00 H new ATOM 0 HE1 PHE A 67 -1.529 4.151 -5.681 1.00 1.00 H new ATOM 0 HE2 PHE A 67 1.855 4.086 -3.040 1.00 1.00 H new ATOM 0 HZ PHE A 67 -0.171 2.994 -3.962 1.00 1.00 H new ATOM 1035 N ARG A 68 1.995 5.656 -8.186 1.00 1.00 N ATOM 1036 CA ARG A 68 1.432 4.618 -9.051 1.00 1.00 C ATOM 1037 C ARG A 68 1.722 3.231 -8.494 1.00 1.00 C ATOM 1038 O ARG A 68 2.777 2.988 -7.908 1.00 1.00 O ATOM 1039 CB ARG A 68 2.012 4.731 -10.461 1.00 1.00 C ATOM 1040 CG ARG A 68 1.478 5.997 -11.130 1.00 1.00 C ATOM 1041 CD ARG A 68 2.029 6.095 -12.552 1.00 1.00 C ATOM 1042 NE ARG A 68 1.518 7.296 -13.203 1.00 1.00 N ATOM 1043 CZ ARG A 68 1.614 7.464 -14.518 1.00 1.00 C ATOM 1044 NH1 ARG A 68 2.217 6.567 -15.250 1.00 1.00 N ATOM 1045 NH2 ARG A 68 1.112 8.532 -15.076 1.00 1.00 N ATOM 0 H ARG A 68 2.907 5.428 -7.791 1.00 1.00 H new ATOM 0 HA ARG A 68 0.352 4.763 -9.090 1.00 1.00 H new ATOM 0 HB2 ARG A 68 3.101 4.761 -10.417 1.00 1.00 H new ATOM 0 HB3 ARG A 68 1.741 3.854 -11.049 1.00 1.00 H new ATOM 0 HG2 ARG A 68 0.388 5.977 -11.152 1.00 1.00 H new ATOM 0 HG3 ARG A 68 1.770 6.876 -10.555 1.00 1.00 H new ATOM 0 HD2 ARG A 68 3.118 6.120 -12.528 1.00 1.00 H new ATOM 0 HD3 ARG A 68 1.743 5.212 -13.123 1.00 1.00 H new ATOM 0 HE ARG A 68 1.078 8.022 -12.637 1.00 1.00 H new ATOM 0 HH11 ARG A 68 2.615 5.736 -14.813 1.00 1.00 H new ATOM 0 HH12 ARG A 68 2.290 6.697 -16.259 1.00 1.00 H new ATOM 0 HH21 ARG A 68 0.647 9.236 -14.503 1.00 1.00 H new ATOM 0 HH22 ARG A 68 1.185 8.662 -16.085 1.00 1.00 H new ATOM 1059 N CYS A 69 0.776 2.321 -8.701 1.00 1.00 N ATOM 1060 CA CYS A 69 0.907 0.937 -8.244 1.00 1.00 C ATOM 1061 C CYS A 69 0.804 0.006 -9.446 1.00 1.00 C ATOM 1062 O CYS A 69 -0.217 -0.014 -10.131 1.00 1.00 O ATOM 1063 CB CYS A 69 -0.209 0.622 -7.236 1.00 1.00 C ATOM 1064 SG CYS A 69 -0.390 -1.170 -7.048 1.00 1.00 S ATOM 0 H CYS A 69 -0.099 2.517 -9.187 1.00 1.00 H new ATOM 0 HA CYS A 69 1.872 0.795 -7.758 1.00 1.00 H new ATOM 0 HB2 CYS A 69 0.022 1.075 -6.272 1.00 1.00 H new ATOM 0 HB3 CYS A 69 -1.149 1.057 -7.575 1.00 1.00 H new ATOM 0 HG CYS A 69 -1.335 -1.423 -6.192 1.00 1.00 H new ATOM 1070 N VAL A 70 1.866 -0.759 -9.711 1.00 1.00 N ATOM 1071 CA VAL A 70 1.872 -1.678 -10.857 1.00 1.00 C ATOM 1072 C VAL A 70 2.037 -3.119 -10.395 1.00 1.00 C ATOM 1073 O VAL A 70 2.941 -3.439 -9.628 1.00 1.00 O ATOM 1074 CB VAL A 70 3.010 -1.306 -11.809 1.00 1.00 C ATOM 1075 CG1 VAL A 70 2.740 0.074 -12.404 1.00 1.00 C ATOM 1076 CG2 VAL A 70 4.332 -1.270 -11.043 1.00 1.00 C ATOM 0 H VAL A 70 2.723 -0.763 -9.158 1.00 1.00 H new ATOM 0 HA VAL A 70 0.918 -1.590 -11.376 1.00 1.00 H new ATOM 0 HB VAL A 70 3.071 -2.048 -12.605 1.00 1.00 H new ATOM 0 HG11 VAL A 70 3.549 0.342 -13.083 1.00 1.00 H new ATOM 0 HG12 VAL A 70 1.798 0.056 -12.952 1.00 1.00 H new ATOM 0 HG13 VAL A 70 2.680 0.810 -11.603 1.00 1.00 H new ATOM 0 HG21 VAL A 70 5.140 -1.005 -11.724 1.00 1.00 H new ATOM 0 HG22 VAL A 70 4.271 -0.529 -10.246 1.00 1.00 H new ATOM 0 HG23 VAL A 70 4.529 -2.251 -10.611 1.00 1.00 H new ATOM 1086 N GLN A 71 1.144 -3.986 -10.870 1.00 1.00 N ATOM 1087 CA GLN A 71 1.184 -5.399 -10.504 1.00 1.00 C ATOM 1088 C GLN A 71 2.119 -6.166 -11.434 1.00 1.00 C ATOM 1089 O GLN A 71 1.765 -6.466 -12.573 1.00 1.00 O ATOM 1090 CB GLN A 71 -0.224 -5.992 -10.597 1.00 1.00 C ATOM 1091 CG GLN A 71 -0.269 -7.333 -9.864 1.00 1.00 C ATOM 1092 CD GLN A 71 -0.201 -7.105 -8.361 1.00 1.00 C ATOM 1093 OE1 GLN A 71 0.756 -7.645 -7.662 1.00 1.00 O flip ATOM 1094 NE2 GLN A 71 -1.048 -6.410 -7.806 1.00 1.00 N flip ATOM 0 H GLN A 71 0.387 -3.735 -11.506 1.00 1.00 H new ATOM 0 HA GLN A 71 1.555 -5.485 -9.483 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -0.948 -5.304 -10.161 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -0.503 -6.128 -11.642 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -1.185 -7.866 -10.119 1.00 1.00 H new ATOM 0 HG3 GLN A 71 0.563 -7.960 -10.183 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -1.798 -5.986 -8.352 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -1.001 -6.256 -6.799 1.00 1.00 H new ATOM 1103 N GLU A 72 3.314 -6.481 -10.936 1.00 1.00 N ATOM 1104 CA GLU A 72 4.307 -7.220 -11.718 1.00 1.00 C ATOM 1105 C GLU A 72 4.647 -6.493 -13.008 1.00 1.00 C ATOM 1106 O GLU A 72 5.463 -6.961 -13.801 1.00 1.00 O ATOM 1107 CB GLU A 72 3.772 -8.610 -12.058 1.00 1.00 C ATOM 1108 CG GLU A 72 3.473 -9.361 -10.768 1.00 1.00 C ATOM 1109 CD GLU A 72 2.889 -10.732 -11.088 1.00 1.00 C ATOM 1110 OE1 GLU A 72 2.778 -11.048 -12.261 1.00 1.00 O ATOM 1111 OE2 GLU A 72 2.565 -11.449 -10.155 1.00 1.00 O ATOM 0 H GLU A 72 3.619 -6.236 -9.994 1.00 1.00 H new ATOM 0 HA GLU A 72 5.211 -7.302 -11.114 1.00 1.00 H new ATOM 0 HB2 GLU A 72 2.869 -8.527 -12.662 1.00 1.00 H new ATOM 0 HB3 GLU A 72 4.503 -9.159 -12.651 1.00 1.00 H new ATOM 0 HG2 GLU A 72 4.386 -9.473 -10.182 1.00 1.00 H new ATOM 0 HG3 GLU A 72 2.771 -8.791 -10.159 1.00 1.00 H new ATOM 1229 N ASP A 80 -4.555 -5.494 -12.841 1.00 1.00 N ATOM 1230 CA ASP A 80 -3.872 -5.843 -11.604 1.00 1.00 C ATOM 1231 C ASP A 80 -4.486 -7.102 -10.996 1.00 1.00 C ATOM 1232 O ASP A 80 -3.781 -7.955 -10.456 1.00 1.00 O ATOM 1233 CB ASP A 80 -3.983 -4.690 -10.613 1.00 1.00 C ATOM 1234 CG ASP A 80 -5.444 -4.305 -10.425 1.00 1.00 C ATOM 1235 OD1 ASP A 80 -6.217 -4.537 -11.339 1.00 1.00 O ATOM 1236 OD2 ASP A 80 -5.769 -3.777 -9.373 1.00 1.00 O ATOM 0 HA ASP A 80 -2.822 -6.034 -11.825 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -3.548 -4.979 -9.656 1.00 1.00 H new ATOM 0 HB3 ASP A 80 -3.416 -3.832 -10.975 1.00 1.00 H new ATOM 1241 N ILE A 81 -5.809 -7.206 -11.091 1.00 1.00 N ATOM 1242 CA ILE A 81 -6.527 -8.360 -10.554 1.00 1.00 C ATOM 1243 C ILE A 81 -6.198 -9.614 -11.361 1.00 1.00 C ATOM 1244 O ILE A 81 -6.315 -10.735 -10.864 1.00 1.00 O ATOM 1245 CB ILE A 81 -8.036 -8.102 -10.603 1.00 1.00 C ATOM 1246 CG1 ILE A 81 -8.346 -6.727 -9.992 1.00 1.00 C ATOM 1247 CG2 ILE A 81 -8.775 -9.191 -9.821 1.00 1.00 C ATOM 1248 CD1 ILE A 81 -7.726 -6.610 -8.595 1.00 1.00 C ATOM 0 H ILE A 81 -6.405 -6.507 -11.534 1.00 1.00 H new ATOM 0 HA ILE A 81 -6.217 -8.513 -9.520 1.00 1.00 H new ATOM 0 HB ILE A 81 -8.368 -8.119 -11.641 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -7.956 -5.939 -10.637 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -9.425 -6.584 -9.931 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -9.848 -9.002 -9.859 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -8.562 -10.164 -10.263 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -8.442 -9.183 -8.783 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -7.955 -5.630 -8.176 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -8.137 -7.386 -7.949 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -6.645 -6.731 -8.665 1.00 1.00 H new ATOM 1260 N ALA A 82 -5.796 -9.416 -12.612 1.00 1.00 N ATOM 1261 CA ALA A 82 -5.463 -10.537 -13.486 1.00 1.00 C ATOM 1262 C ALA A 82 -4.340 -11.376 -12.887 1.00 1.00 C ATOM 1263 O ALA A 82 -4.316 -12.598 -13.040 1.00 1.00 O ATOM 1264 CB ALA A 82 -5.031 -10.013 -14.856 1.00 1.00 C ATOM 0 H ALA A 82 -5.693 -8.497 -13.042 1.00 1.00 H new ATOM 0 HA ALA A 82 -6.348 -11.164 -13.593 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -4.783 -10.853 -15.505 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -5.845 -9.439 -15.299 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -4.156 -9.373 -14.741 1.00 1.00 H new ATOM 1270 N SER A 83 -3.406 -10.715 -12.205 1.00 1.00 N ATOM 1271 CA SER A 83 -2.276 -11.408 -11.584 1.00 1.00 C ATOM 1272 C SER A 83 -2.522 -11.594 -10.093 1.00 1.00 C ATOM 1273 O SER A 83 -1.780 -11.078 -9.257 1.00 1.00 O ATOM 1274 CB SER A 83 -0.998 -10.598 -11.795 1.00 1.00 C ATOM 1275 OG SER A 83 -0.025 -10.994 -10.837 1.00 1.00 O ATOM 0 H SER A 83 -3.408 -9.704 -12.068 1.00 1.00 H new ATOM 0 HA SER A 83 -2.168 -12.388 -12.048 1.00 1.00 H new ATOM 0 HB2 SER A 83 -0.617 -10.756 -12.804 1.00 1.00 H new ATOM 0 HB3 SER A 83 -1.209 -9.533 -11.697 1.00 1.00 H new ATOM 0 HG SER A 83 -0.226 -10.574 -9.974 1.00 1.00 H new ATOM 1281 N ASN A 84 -3.567 -12.344 -9.769 1.00 1.00 N ATOM 1282 CA ASN A 84 -3.911 -12.609 -8.379 1.00 1.00 C ATOM 1283 C ASN A 84 -3.031 -13.723 -7.823 1.00 1.00 C ATOM 1284 O ASN A 84 -2.074 -14.150 -8.469 1.00 1.00 O ATOM 1285 CB ASN A 84 -5.384 -13.015 -8.275 1.00 1.00 C ATOM 1286 CG ASN A 84 -6.280 -11.789 -8.431 1.00 1.00 C ATOM 1287 OD1 ASN A 84 -7.339 -11.873 -9.053 1.00 1.00 O ATOM 1288 ND2 ASN A 84 -5.925 -10.654 -7.894 1.00 1.00 N ATOM 0 H ASN A 84 -4.190 -12.779 -10.449 1.00 1.00 H new ATOM 0 HA ASN A 84 -3.746 -11.702 -7.797 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -5.622 -13.749 -9.045 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -5.571 -13.491 -7.312 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -6.525 -9.835 -7.989 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -5.047 -10.586 -7.379 1.00 1.00 H new ATOM 1295 N SER A 85 -3.353 -14.181 -6.621 1.00 1.00 N ATOM 1296 CA SER A 85 -2.572 -15.240 -5.990 1.00 1.00 C ATOM 1297 C SER A 85 -1.117 -14.800 -5.867 1.00 1.00 C ATOM 1298 O SER A 85 -0.334 -14.934 -6.807 1.00 1.00 O ATOM 1299 CB SER A 85 -2.664 -16.523 -6.819 1.00 1.00 C ATOM 1300 OG SER A 85 -1.757 -16.448 -7.911 1.00 1.00 O ATOM 0 H SER A 85 -4.140 -13.842 -6.067 1.00 1.00 H new ATOM 0 HA SER A 85 -2.972 -15.436 -4.995 1.00 1.00 H new ATOM 0 HB2 SER A 85 -2.431 -17.388 -6.198 1.00 1.00 H new ATOM 0 HB3 SER A 85 -3.681 -16.659 -7.186 1.00 1.00 H new ATOM 0 HG SER A 85 -1.359 -15.553 -7.944 1.00 1.00 H new ATOM 1306 N GLY A 86 -0.765 -14.253 -4.709 1.00 1.00 N ATOM 1307 CA GLY A 86 0.595 -13.774 -4.493 1.00 1.00 C ATOM 1308 C GLY A 86 0.905 -12.662 -5.484 1.00 1.00 C ATOM 1309 O GLY A 86 1.573 -12.884 -6.495 1.00 1.00 O ATOM 0 H GLY A 86 -1.393 -14.131 -3.915 1.00 1.00 H new ATOM 0 HA2 GLY A 86 0.705 -13.407 -3.472 1.00 1.00 H new ATOM 0 HA3 GLY A 86 1.304 -14.593 -4.615 1.00 1.00 H new ATOM 1313 N CYS A 87 0.380 -11.471 -5.207 1.00 1.00 N ATOM 1314 CA CYS A 87 0.562 -10.323 -6.102 1.00 1.00 C ATOM 1315 C CYS A 87 1.721 -9.429 -5.649 1.00 1.00 C ATOM 1316 O CYS A 87 1.841 -9.104 -4.468 1.00 1.00 O ATOM 1317 CB CYS A 87 -0.748 -9.484 -6.149 1.00 1.00 C ATOM 1318 SG CYS A 87 -2.085 -10.354 -5.281 1.00 1.00 S ATOM 0 H CYS A 87 -0.174 -11.272 -4.374 1.00 1.00 H new ATOM 0 HA CYS A 87 0.799 -10.708 -7.094 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -0.581 -8.510 -5.690 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -1.035 -9.303 -7.185 1.00 1.00 H new ATOM 1323 N LYS A 88 2.540 -8.998 -6.612 1.00 1.00 N ATOM 1324 CA LYS A 88 3.655 -8.094 -6.330 1.00 1.00 C ATOM 1325 C LYS A 88 3.313 -6.717 -6.885 1.00 1.00 C ATOM 1326 O LYS A 88 3.094 -6.567 -8.087 1.00 1.00 O ATOM 1327 CB LYS A 88 4.942 -8.587 -6.995 1.00 1.00 C ATOM 1328 CG LYS A 88 5.391 -9.913 -6.375 1.00 1.00 C ATOM 1329 CD LYS A 88 6.644 -10.399 -7.108 1.00 1.00 C ATOM 1330 CE LYS A 88 7.179 -11.672 -6.448 1.00 1.00 C ATOM 1331 NZ LYS A 88 6.170 -12.761 -6.571 1.00 1.00 N ATOM 0 H LYS A 88 2.451 -9.261 -7.593 1.00 1.00 H new ATOM 0 HA LYS A 88 3.813 -8.055 -5.252 1.00 1.00 H new ATOM 0 HB2 LYS A 88 4.779 -8.716 -8.065 1.00 1.00 H new ATOM 0 HB3 LYS A 88 5.727 -7.840 -6.879 1.00 1.00 H new ATOM 0 HG2 LYS A 88 5.601 -9.782 -5.314 1.00 1.00 H new ATOM 0 HG3 LYS A 88 4.596 -10.655 -6.453 1.00 1.00 H new ATOM 0 HD2 LYS A 88 6.410 -10.594 -8.155 1.00 1.00 H new ATOM 0 HD3 LYS A 88 7.409 -9.622 -7.091 1.00 1.00 H new ATOM 0 HE2 LYS A 88 8.114 -11.974 -6.921 1.00 1.00 H new ATOM 0 HE3 LYS A 88 7.399 -11.484 -5.397 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 6.634 -13.627 -6.913 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 5.740 -12.943 -5.642 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 5.431 -12.475 -7.244 1.00 1.00 H new ATOM 1345 N ILE A 89 3.267 -5.709 -6.012 1.00 1.00 N ATOM 1346 CA ILE A 89 2.947 -4.343 -6.436 1.00 1.00 C ATOM 1347 C ILE A 89 4.116 -3.418 -6.135 1.00 1.00 C ATOM 1348 O ILE A 89 4.656 -3.422 -5.028 1.00 1.00 O ATOM 1349 CB ILE A 89 1.685 -3.836 -5.717 1.00 1.00 C ATOM 1350 CG1 ILE A 89 1.904 -3.827 -4.178 1.00 1.00 C ATOM 1351 CG2 ILE A 89 0.501 -4.748 -6.071 1.00 1.00 C ATOM 1352 CD1 ILE A 89 2.202 -2.402 -3.689 1.00 1.00 C ATOM 0 H ILE A 89 3.446 -5.811 -5.013 1.00 1.00 H new ATOM 0 HA ILE A 89 2.760 -4.350 -7.510 1.00 1.00 H new ATOM 0 HB ILE A 89 1.474 -2.817 -6.041 1.00 1.00 H new ATOM 0 HG12 ILE A 89 1.017 -4.213 -3.676 1.00 1.00 H new ATOM 0 HG13 ILE A 89 2.731 -4.488 -3.918 1.00 1.00 H new ATOM 0 HG21 ILE A 89 -0.396 -4.393 -5.564 1.00 1.00 H new ATOM 0 HG22 ILE A 89 0.339 -4.732 -7.149 1.00 1.00 H new ATOM 0 HG23 ILE A 89 0.719 -5.767 -5.752 1.00 1.00 H new ATOM 0 HD11 ILE A 89 2.353 -2.412 -2.610 1.00 1.00 H new ATOM 0 HD12 ILE A 89 3.103 -2.030 -4.178 1.00 1.00 H new ATOM 0 HD13 ILE A 89 1.362 -1.751 -3.932 1.00 1.00 H new ATOM 1364 N ARG A 90 4.510 -2.630 -7.132 1.00 1.00 N ATOM 1365 CA ARG A 90 5.627 -1.698 -6.973 1.00 1.00 C ATOM 1366 C ARG A 90 5.104 -0.276 -6.880 1.00 1.00 C ATOM 1367 O ARG A 90 4.112 0.073 -7.520 1.00 1.00 O ATOM 1368 CB ARG A 90 6.573 -1.816 -8.164 1.00 1.00 C ATOM 1369 CG ARG A 90 7.132 -3.234 -8.213 1.00 1.00 C ATOM 1370 CD ARG A 90 8.017 -3.390 -9.443 1.00 1.00 C ATOM 1371 NE ARG A 90 8.511 -4.762 -9.529 1.00 1.00 N ATOM 1372 CZ ARG A 90 9.246 -5.175 -10.558 1.00 1.00 C ATOM 1373 NH1 ARG A 90 9.585 -4.341 -11.501 1.00 1.00 N ATOM 1374 NH2 ARG A 90 9.636 -6.419 -10.616 1.00 1.00 N ATOM 0 H ARG A 90 4.076 -2.617 -8.055 1.00 1.00 H new ATOM 0 HA ARG A 90 6.166 -1.944 -6.058 1.00 1.00 H new ATOM 0 HB2 ARG A 90 6.044 -1.587 -9.089 1.00 1.00 H new ATOM 0 HB3 ARG A 90 7.385 -1.094 -8.074 1.00 1.00 H new ATOM 0 HG2 ARG A 90 7.706 -3.441 -7.310 1.00 1.00 H new ATOM 0 HG3 ARG A 90 6.317 -3.957 -8.245 1.00 1.00 H new ATOM 0 HD2 ARG A 90 7.453 -3.140 -10.342 1.00 1.00 H new ATOM 0 HD3 ARG A 90 8.855 -2.695 -9.389 1.00 1.00 H new ATOM 0 HE ARG A 90 8.287 -5.419 -8.782 1.00 1.00 H new ATOM 0 HH11 ARG A 90 9.287 -3.367 -11.452 1.00 1.00 H new ATOM 0 HH12 ARG A 90 10.149 -4.663 -12.288 1.00 1.00 H new ATOM 0 HH21 ARG A 90 9.377 -7.070 -9.874 1.00 1.00 H new ATOM 0 HH22 ARG A 90 10.200 -6.741 -11.403 1.00 1.00 H new ATOM 1388 N VAL A 91 5.768 0.543 -6.068 1.00 1.00 N ATOM 1389 CA VAL A 91 5.356 1.937 -5.881 1.00 1.00 C ATOM 1390 C VAL A 91 6.486 2.886 -6.258 1.00 1.00 C ATOM 1391 O VAL A 91 7.631 2.698 -5.853 1.00 1.00 O ATOM 1392 CB VAL A 91 4.967 2.166 -4.421 1.00 1.00 C ATOM 1393 CG1 VAL A 91 4.524 3.618 -4.221 1.00 1.00 C ATOM 1394 CG2 VAL A 91 3.819 1.221 -4.049 1.00 1.00 C ATOM 0 H VAL A 91 6.590 0.270 -5.530 1.00 1.00 H new ATOM 0 HA VAL A 91 4.501 2.135 -6.527 1.00 1.00 H new ATOM 0 HB VAL A 91 5.827 1.966 -3.782 1.00 1.00 H new ATOM 0 HG11 VAL A 91 4.248 3.774 -3.178 1.00 1.00 H new ATOM 0 HG12 VAL A 91 5.343 4.288 -4.484 1.00 1.00 H new ATOM 0 HG13 VAL A 91 3.665 3.827 -4.859 1.00 1.00 H new ATOM 0 HG21 VAL A 91 3.539 1.381 -3.008 1.00 1.00 H new ATOM 0 HG22 VAL A 91 2.961 1.421 -4.691 1.00 1.00 H new ATOM 0 HG23 VAL A 91 4.140 0.188 -4.183 1.00 1.00 H new ATOM 1404 N GLN A 92 6.148 3.912 -7.037 1.00 1.00 N ATOM 1405 CA GLN A 92 7.130 4.906 -7.476 1.00 1.00 C ATOM 1406 C GLN A 92 6.676 6.306 -7.079 1.00 1.00 C ATOM 1407 O GLN A 92 5.506 6.660 -7.243 1.00 1.00 O ATOM 1408 CB GLN A 92 7.295 4.842 -8.995 1.00 1.00 C ATOM 1409 CG GLN A 92 7.919 3.502 -9.387 1.00 1.00 C ATOM 1410 CD GLN A 92 8.048 3.411 -10.904 1.00 1.00 C ATOM 1411 OE1 GLN A 92 7.751 4.373 -11.611 1.00 1.00 O ATOM 1412 NE2 GLN A 92 8.478 2.306 -11.448 1.00 1.00 N ATOM 0 H GLN A 92 5.201 4.078 -7.378 1.00 1.00 H new ATOM 0 HA GLN A 92 8.084 4.687 -6.996 1.00 1.00 H new ATOM 0 HB2 GLN A 92 6.327 4.960 -9.481 1.00 1.00 H new ATOM 0 HB3 GLN A 92 7.926 5.662 -9.337 1.00 1.00 H new ATOM 0 HG2 GLN A 92 8.900 3.399 -8.923 1.00 1.00 H new ATOM 0 HG3 GLN A 92 7.303 2.682 -9.016 1.00 1.00 H new ATOM 0 HE21 GLN A 92 8.724 1.510 -10.860 1.00 1.00 H new ATOM 0 HE22 GLN A 92 8.569 2.238 -12.462 1.00 1.00 H new ATOM 1421 N GLY A 93 7.607 7.102 -6.561 1.00 1.00 N ATOM 1422 CA GLY A 93 7.295 8.469 -6.146 1.00 1.00 C ATOM 1423 C GLY A 93 8.481 9.392 -6.394 1.00 1.00 C ATOM 1424 O GLY A 93 9.632 8.982 -6.286 1.00 1.00 O ATOM 0 H GLY A 93 8.579 6.827 -6.418 1.00 1.00 H new ATOM 0 HA2 GLY A 93 6.425 8.831 -6.694 1.00 1.00 H new ATOM 0 HA3 GLY A 93 7.033 8.482 -5.088 1.00 1.00 H new ATOM 1483 N ARG A 97 11.852 7.051 -2.829 1.00 1.00 N ATOM 1484 CA ARG A 97 12.476 6.064 -3.713 1.00 1.00 C ATOM 1485 C ARG A 97 11.549 4.874 -3.930 1.00 1.00 C ATOM 1486 O ARG A 97 10.734 4.545 -3.069 1.00 1.00 O ATOM 1487 CB ARG A 97 13.804 5.579 -3.125 1.00 1.00 C ATOM 1488 CG ARG A 97 13.571 4.926 -1.761 1.00 1.00 C ATOM 1489 CD ARG A 97 14.908 4.420 -1.217 1.00 1.00 C ATOM 1490 NE ARG A 97 15.407 3.336 -2.058 1.00 1.00 N ATOM 1491 CZ ARG A 97 15.013 2.078 -1.869 1.00 1.00 C ATOM 1492 NH1 ARG A 97 14.214 1.785 -0.880 1.00 1.00 N ATOM 1493 NH2 ARG A 97 15.433 1.135 -2.670 1.00 1.00 N ATOM 0 HA ARG A 97 12.666 6.545 -4.673 1.00 1.00 H new ATOM 0 HB2 ARG A 97 14.271 4.865 -3.803 1.00 1.00 H new ATOM 0 HB3 ARG A 97 14.492 6.418 -3.022 1.00 1.00 H new ATOM 0 HG2 ARG A 97 13.131 5.645 -1.070 1.00 1.00 H new ATOM 0 HG3 ARG A 97 12.866 4.100 -1.854 1.00 1.00 H new ATOM 0 HD2 ARG A 97 15.632 5.235 -1.191 1.00 1.00 H new ATOM 0 HD3 ARG A 97 14.785 4.070 -0.192 1.00 1.00 H new ATOM 0 HE ARG A 97 16.070 3.546 -2.804 1.00 1.00 H new ATOM 0 HH11 ARG A 97 13.891 2.520 -0.251 1.00 1.00 H new ATOM 0 HH12 ARG A 97 13.913 0.821 -0.736 1.00 1.00 H new ATOM 0 HH21 ARG A 97 16.062 1.363 -3.440 1.00 1.00 H new ATOM 0 HH22 ARG A 97 15.131 0.171 -2.526 1.00 1.00 H new ATOM 1507 N GLU A 98 11.678 4.231 -5.086 1.00 1.00 N ATOM 1508 CA GLU A 98 10.844 3.081 -5.403 1.00 1.00 C ATOM 1509 C GLU A 98 11.137 1.923 -4.453 1.00 1.00 C ATOM 1510 O GLU A 98 12.294 1.609 -4.170 1.00 1.00 O ATOM 1511 CB GLU A 98 11.083 2.644 -6.853 1.00 1.00 C ATOM 1512 CG GLU A 98 12.473 2.018 -6.988 1.00 1.00 C ATOM 1513 CD GLU A 98 12.807 1.803 -8.461 1.00 1.00 C ATOM 1514 OE1 GLU A 98 12.467 2.664 -9.257 1.00 1.00 O ATOM 1515 OE2 GLU A 98 13.398 0.782 -8.771 1.00 1.00 O ATOM 0 H GLU A 98 12.347 4.485 -5.813 1.00 1.00 H new ATOM 0 HA GLU A 98 9.799 3.369 -5.283 1.00 1.00 H new ATOM 0 HB2 GLU A 98 10.321 1.926 -7.156 1.00 1.00 H new ATOM 0 HB3 GLU A 98 10.995 3.502 -7.519 1.00 1.00 H new ATOM 0 HG2 GLU A 98 13.219 2.666 -6.528 1.00 1.00 H new ATOM 0 HG3 GLU A 98 12.506 1.067 -6.456 1.00 1.00 H new ATOM 1522 N ARG A 99 10.072 1.289 -3.970 1.00 1.00 N ATOM 1523 CA ARG A 99 10.189 0.153 -3.055 1.00 1.00 C ATOM 1524 C ARG A 99 9.256 -0.970 -3.510 1.00 1.00 C ATOM 1525 O ARG A 99 8.118 -0.716 -3.905 1.00 1.00 O ATOM 1526 CB ARG A 99 9.810 0.597 -1.635 1.00 1.00 C ATOM 1527 CG ARG A 99 10.794 1.665 -1.150 1.00 1.00 C ATOM 1528 CD ARG A 99 10.384 2.137 0.246 1.00 1.00 C ATOM 1529 NE ARG A 99 9.122 2.867 0.182 1.00 1.00 N ATOM 1530 CZ ARG A 99 8.549 3.350 1.280 1.00 1.00 C ATOM 1531 NH1 ARG A 99 9.119 3.180 2.442 1.00 1.00 N ATOM 1532 NH2 ARG A 99 7.418 3.992 1.198 1.00 1.00 N ATOM 0 H ARG A 99 9.111 1.544 -4.198 1.00 1.00 H new ATOM 0 HA ARG A 99 11.217 -0.210 -3.057 1.00 1.00 H new ATOM 0 HB2 ARG A 99 8.795 0.993 -1.626 1.00 1.00 H new ATOM 0 HB3 ARG A 99 9.824 -0.259 -0.960 1.00 1.00 H new ATOM 0 HG2 ARG A 99 11.805 1.259 -1.126 1.00 1.00 H new ATOM 0 HG3 ARG A 99 10.804 2.507 -1.842 1.00 1.00 H new ATOM 0 HD2 ARG A 99 10.283 1.280 0.912 1.00 1.00 H new ATOM 0 HD3 ARG A 99 11.161 2.776 0.664 1.00 1.00 H new ATOM 0 HE ARG A 99 8.671 3.009 -0.722 1.00 1.00 H new ATOM 0 HH11 ARG A 99 10.004 2.677 2.507 1.00 1.00 H new ATOM 0 HH12 ARG A 99 8.680 3.550 3.285 1.00 1.00 H new ATOM 0 HH21 ARG A 99 6.971 4.124 0.291 1.00 1.00 H new ATOM 0 HH22 ARG A 99 6.979 4.362 2.041 1.00 1.00 H new ATOM 1546 N ARG A 100 9.741 -2.211 -3.467 1.00 1.00 N ATOM 1547 CA ARG A 100 8.932 -3.362 -3.890 1.00 1.00 C ATOM 1548 C ARG A 100 8.093 -3.894 -2.736 1.00 1.00 C ATOM 1549 O ARG A 100 8.479 -3.788 -1.572 1.00 1.00 O ATOM 1550 CB ARG A 100 9.842 -4.473 -4.417 1.00 1.00 C ATOM 1551 CG ARG A 100 10.560 -3.985 -5.672 1.00 1.00 C ATOM 1552 CD ARG A 100 11.507 -5.074 -6.182 1.00 1.00 C ATOM 1553 NE ARG A 100 10.751 -6.234 -6.646 1.00 1.00 N ATOM 1554 CZ ARG A 100 11.366 -7.283 -7.188 1.00 1.00 C ATOM 1555 NH1 ARG A 100 12.636 -7.213 -7.485 1.00 1.00 N ATOM 1556 NH2 ARG A 100 10.691 -8.367 -7.460 1.00 1.00 N ATOM 0 H ARG A 100 10.680 -2.447 -3.147 1.00 1.00 H new ATOM 0 HA ARG A 100 8.260 -3.032 -4.682 1.00 1.00 H new ATOM 0 HB2 ARG A 100 10.569 -4.755 -3.655 1.00 1.00 H new ATOM 0 HB3 ARG A 100 9.255 -5.363 -4.643 1.00 1.00 H new ATOM 0 HG2 ARG A 100 9.833 -3.732 -6.443 1.00 1.00 H new ATOM 0 HG3 ARG A 100 11.120 -3.076 -5.452 1.00 1.00 H new ATOM 0 HD2 ARG A 100 12.117 -4.681 -6.995 1.00 1.00 H new ATOM 0 HD3 ARG A 100 12.190 -5.372 -5.386 1.00 1.00 H new ATOM 0 HE ARG A 100 9.735 -6.241 -6.553 1.00 1.00 H new ATOM 0 HH11 ARG A 100 13.156 -6.355 -7.302 1.00 1.00 H new ATOM 0 HH12 ARG A 100 13.108 -8.016 -7.900 1.00 1.00 H new ATOM 0 HH21 ARG A 100 9.692 -8.410 -7.257 1.00 1.00 H new ATOM 0 HH22 ARG A 100 11.162 -9.171 -7.875 1.00 1.00 H new ATOM 1570 N PHE A 101 6.937 -4.469 -3.069 1.00 1.00 N ATOM 1571 CA PHE A 101 6.035 -5.020 -2.055 1.00 1.00 C ATOM 1572 C PHE A 101 5.368 -6.290 -2.574 1.00 1.00 C ATOM 1573 O PHE A 101 5.138 -6.433 -3.774 1.00 1.00 O ATOM 1574 CB PHE A 101 4.966 -3.987 -1.700 1.00 1.00 C ATOM 1575 CG PHE A 101 5.612 -2.720 -1.189 1.00 1.00 C ATOM 1576 CD1 PHE A 101 5.994 -2.615 0.153 1.00 1.00 C ATOM 1577 CD2 PHE A 101 5.821 -1.646 -2.061 1.00 1.00 C ATOM 1578 CE1 PHE A 101 6.585 -1.435 0.623 1.00 1.00 C ATOM 1579 CE2 PHE A 101 6.415 -0.466 -1.593 1.00 1.00 C ATOM 1580 CZ PHE A 101 6.796 -0.363 -0.250 1.00 1.00 C ATOM 0 H PHE A 101 6.603 -4.566 -4.028 1.00 1.00 H new ATOM 0 HA PHE A 101 6.614 -5.264 -1.165 1.00 1.00 H new ATOM 0 HB2 PHE A 101 4.359 -3.765 -2.578 1.00 1.00 H new ATOM 0 HB3 PHE A 101 4.295 -4.393 -0.942 1.00 1.00 H new ATOM 0 HD1 PHE A 101 5.833 -3.444 0.827 1.00 1.00 H new ATOM 0 HD2 PHE A 101 5.524 -1.726 -3.096 1.00 1.00 H new ATOM 0 HE1 PHE A 101 6.878 -1.353 1.659 1.00 1.00 H new ATOM 0 HE2 PHE A 101 6.578 0.362 -2.267 1.00 1.00 H new ATOM 0 HZ PHE A 101 7.254 0.546 0.113 1.00 1.00 H new ATOM 1590 N GLU A 102 5.057 -7.214 -1.661 1.00 1.00 N ATOM 1591 CA GLU A 102 4.414 -8.477 -2.041 1.00 1.00 C ATOM 1592 C GLU A 102 3.331 -8.861 -1.037 1.00 1.00 C ATOM 1593 O GLU A 102 3.459 -8.606 0.158 1.00 1.00 O ATOM 1594 CB GLU A 102 5.466 -9.590 -2.118 1.00 1.00 C ATOM 1595 CG GLU A 102 4.814 -10.888 -2.608 1.00 1.00 C ATOM 1596 CD GLU A 102 5.867 -11.984 -2.738 1.00 1.00 C ATOM 1597 OE1 GLU A 102 6.963 -11.786 -2.240 1.00 1.00 O ATOM 1598 OE2 GLU A 102 5.561 -13.002 -3.334 1.00 1.00 O ATOM 0 H GLU A 102 5.237 -7.114 -0.662 1.00 1.00 H new ATOM 0 HA GLU A 102 3.947 -8.346 -3.017 1.00 1.00 H new ATOM 0 HB2 GLU A 102 6.269 -9.298 -2.795 1.00 1.00 H new ATOM 0 HB3 GLU A 102 5.916 -9.746 -1.138 1.00 1.00 H new ATOM 0 HG2 GLU A 102 4.037 -11.200 -1.911 1.00 1.00 H new ATOM 0 HG3 GLU A 102 4.330 -10.721 -3.570 1.00 1.00 H new ATOM 1605 N ILE A 103 2.267 -9.486 -1.541 1.00 1.00 N ATOM 1606 CA ILE A 103 1.153 -9.923 -0.699 1.00 1.00 C ATOM 1607 C ILE A 103 0.887 -11.415 -0.947 1.00 1.00 C ATOM 1608 O ILE A 103 0.159 -11.759 -1.880 1.00 1.00 O ATOM 1609 CB ILE A 103 -0.108 -9.123 -1.044 1.00 1.00 C ATOM 1610 CG1 ILE A 103 0.160 -7.606 -0.885 1.00 1.00 C ATOM 1611 CG2 ILE A 103 -1.257 -9.565 -0.127 1.00 1.00 C ATOM 1612 CD1 ILE A 103 -0.019 -7.161 0.577 1.00 1.00 C ATOM 0 H ILE A 103 2.153 -9.702 -2.531 1.00 1.00 H new ATOM 0 HA ILE A 103 1.408 -9.759 0.348 1.00 1.00 H new ATOM 0 HB ILE A 103 -0.385 -9.313 -2.081 1.00 1.00 H new ATOM 0 HG12 ILE A 103 1.172 -7.376 -1.217 1.00 1.00 H new ATOM 0 HG13 ILE A 103 -0.521 -7.044 -1.525 1.00 1.00 H new ATOM 0 HG21 ILE A 103 -2.155 -8.998 -0.370 1.00 1.00 H new ATOM 0 HG22 ILE A 103 -1.449 -10.628 -0.271 1.00 1.00 H new ATOM 0 HG23 ILE A 103 -0.983 -9.383 0.912 1.00 1.00 H new ATOM 0 HD11 ILE A 103 0.176 -6.092 0.658 1.00 1.00 H new ATOM 0 HD12 ILE A 103 -1.039 -7.370 0.898 1.00 1.00 H new ATOM 0 HD13 ILE A 103 0.680 -7.706 1.211 1.00 1.00 H new ATOM 1624 N PRO A 104 1.472 -12.313 -0.175 1.00 1.00 N ATOM 1625 CA PRO A 104 1.283 -13.780 -0.392 1.00 1.00 C ATOM 1626 C PRO A 104 -0.135 -14.246 -0.057 1.00 1.00 C ATOM 1627 O PRO A 104 -0.541 -15.342 -0.446 1.00 1.00 O ATOM 1628 CB PRO A 104 2.334 -14.432 0.523 1.00 1.00 C ATOM 1629 CG PRO A 104 2.592 -13.427 1.602 1.00 1.00 C ATOM 1630 CD PRO A 104 2.360 -12.046 0.979 1.00 1.00 C ATOM 0 HA PRO A 104 1.411 -14.056 -1.439 1.00 1.00 H new ATOM 0 HB2 PRO A 104 1.967 -15.370 0.938 1.00 1.00 H new ATOM 0 HB3 PRO A 104 3.246 -14.662 -0.027 1.00 1.00 H new ATOM 0 HG2 PRO A 104 1.924 -13.587 2.448 1.00 1.00 H new ATOM 0 HG3 PRO A 104 3.611 -13.516 1.979 1.00 1.00 H new ATOM 0 HD2 PRO A 104 1.896 -11.362 1.689 1.00 1.00 H new ATOM 0 HD3 PRO A 104 3.298 -11.589 0.663 1.00 1.00 H new ATOM 1638 N ASP A 105 -0.884 -13.412 0.656 1.00 1.00 N ATOM 1639 CA ASP A 105 -2.257 -13.753 1.022 1.00 1.00 C ATOM 1640 C ASP A 105 -3.218 -13.193 -0.022 1.00 1.00 C ATOM 1641 O ASP A 105 -3.436 -11.984 -0.105 1.00 1.00 O ATOM 1642 CB ASP A 105 -2.575 -13.197 2.412 1.00 1.00 C ATOM 1643 CG ASP A 105 -3.894 -13.768 2.918 1.00 1.00 C ATOM 1644 OD1 ASP A 105 -4.238 -14.864 2.507 1.00 1.00 O ATOM 1645 OD2 ASP A 105 -4.538 -13.103 3.712 1.00 1.00 O ATOM 0 H ASP A 105 -0.568 -12.502 0.991 1.00 1.00 H new ATOM 0 HA ASP A 105 -2.371 -14.837 1.052 1.00 1.00 H new ATOM 0 HB2 ASP A 105 -1.772 -13.448 3.105 1.00 1.00 H new ATOM 0 HB3 ASP A 105 -2.633 -12.109 2.372 1.00 1.00 H new ATOM 1650 N GLU A 106 -3.757 -14.089 -0.836 1.00 1.00 N ATOM 1651 CA GLU A 106 -4.665 -13.709 -1.915 1.00 1.00 C ATOM 1652 C GLU A 106 -5.908 -12.994 -1.392 1.00 1.00 C ATOM 1653 O GLU A 106 -6.237 -11.906 -1.856 1.00 1.00 O ATOM 1654 CB GLU A 106 -5.089 -14.959 -2.689 1.00 1.00 C ATOM 1655 CG GLU A 106 -5.920 -14.558 -3.911 1.00 1.00 C ATOM 1656 CD GLU A 106 -6.309 -15.799 -4.708 1.00 1.00 C ATOM 1657 OE1 GLU A 106 -5.724 -16.842 -4.465 1.00 1.00 O ATOM 1658 OE2 GLU A 106 -7.187 -15.689 -5.548 1.00 1.00 O ATOM 0 H GLU A 106 -3.581 -15.092 -0.771 1.00 1.00 H new ATOM 0 HA GLU A 106 -4.132 -13.018 -2.568 1.00 1.00 H new ATOM 0 HB2 GLU A 106 -4.208 -15.518 -3.005 1.00 1.00 H new ATOM 0 HB3 GLU A 106 -5.670 -15.618 -2.043 1.00 1.00 H new ATOM 0 HG2 GLU A 106 -6.816 -14.025 -3.593 1.00 1.00 H new ATOM 0 HG3 GLU A 106 -5.350 -13.875 -4.541 1.00 1.00 H new ATOM 1665 N GLU A 107 -6.602 -13.601 -0.438 1.00 1.00 N ATOM 1666 CA GLU A 107 -7.811 -12.987 0.100 1.00 1.00 C ATOM 1667 C GLU A 107 -7.556 -11.523 0.442 1.00 1.00 C ATOM 1668 O GLU A 107 -8.340 -10.646 0.082 1.00 1.00 O ATOM 1669 CB GLU A 107 -8.292 -13.749 1.340 1.00 1.00 C ATOM 1670 CG GLU A 107 -7.100 -14.107 2.230 1.00 1.00 C ATOM 1671 CD GLU A 107 -7.587 -14.824 3.484 1.00 1.00 C ATOM 1672 OE1 GLU A 107 -8.791 -14.874 3.683 1.00 1.00 O ATOM 1673 OE2 GLU A 107 -6.753 -15.320 4.221 1.00 1.00 O ATOM 0 H GLU A 107 -6.356 -14.501 -0.026 1.00 1.00 H new ATOM 0 HA GLU A 107 -8.591 -13.035 -0.660 1.00 1.00 H new ATOM 0 HB2 GLU A 107 -9.003 -13.140 1.898 1.00 1.00 H new ATOM 0 HB3 GLU A 107 -8.817 -14.656 1.039 1.00 1.00 H new ATOM 0 HG2 GLU A 107 -6.405 -14.744 1.683 1.00 1.00 H new ATOM 0 HG3 GLU A 107 -6.556 -13.204 2.505 1.00 1.00 H new ATOM 1680 N HIS A 108 -6.449 -11.266 1.121 1.00 1.00 N ATOM 1681 CA HIS A 108 -6.093 -9.906 1.490 1.00 1.00 C ATOM 1682 C HIS A 108 -5.728 -9.097 0.249 1.00 1.00 C ATOM 1683 O HIS A 108 -6.064 -7.919 0.137 1.00 1.00 O ATOM 1684 CB HIS A 108 -4.898 -9.922 2.438 1.00 1.00 C ATOM 1685 CG HIS A 108 -5.298 -10.523 3.757 1.00 1.00 C ATOM 1686 ND1 HIS A 108 -4.416 -10.619 4.822 1.00 1.00 N ATOM 1687 CD2 HIS A 108 -6.478 -11.068 4.197 1.00 1.00 C ATOM 1688 CE1 HIS A 108 -5.073 -11.200 5.843 1.00 1.00 C ATOM 1689 NE2 HIS A 108 -6.334 -11.495 5.515 1.00 1.00 N ATOM 0 H HIS A 108 -5.785 -11.978 1.426 1.00 1.00 H new ATOM 0 HA HIS A 108 -6.951 -9.447 1.982 1.00 1.00 H new ATOM 0 HB2 HIS A 108 -4.082 -10.497 1.999 1.00 1.00 H new ATOM 0 HB3 HIS A 108 -4.528 -8.908 2.588 1.00 1.00 H new ATOM 0 HD2 HIS A 108 -7.381 -11.153 3.611 1.00 1.00 H new ATOM 0 HE1 HIS A 108 -4.635 -11.403 6.809 1.00 1.00 H new ATOM 0 HE2 HIS A 108 -7.040 -11.938 6.103 1.00 1.00 H new ATOM 1697 N CYS A 109 -5.023 -9.743 -0.678 1.00 1.00 N ATOM 1698 CA CYS A 109 -4.591 -9.083 -1.904 1.00 1.00 C ATOM 1699 C CYS A 109 -5.784 -8.557 -2.696 1.00 1.00 C ATOM 1700 O CYS A 109 -5.727 -7.474 -3.272 1.00 1.00 O ATOM 1701 CB CYS A 109 -3.768 -10.064 -2.763 1.00 1.00 C ATOM 1702 SG CYS A 109 -2.510 -9.155 -3.703 1.00 1.00 S ATOM 0 H CYS A 109 -4.740 -10.720 -0.602 1.00 1.00 H new ATOM 0 HA CYS A 109 -3.967 -8.231 -1.635 1.00 1.00 H new ATOM 0 HB2 CYS A 109 -3.291 -10.808 -2.125 1.00 1.00 H new ATOM 0 HB3 CYS A 109 -4.425 -10.603 -3.445 1.00 1.00 H new ATOM 1707 N LEU A 110 -6.855 -9.333 -2.735 1.00 1.00 N ATOM 1708 CA LEU A 110 -8.036 -8.927 -3.481 1.00 1.00 C ATOM 1709 C LEU A 110 -8.650 -7.664 -2.903 1.00 1.00 C ATOM 1710 O LEU A 110 -9.026 -6.754 -3.642 1.00 1.00 O ATOM 1711 CB LEU A 110 -9.079 -10.035 -3.433 1.00 1.00 C ATOM 1712 CG LEU A 110 -8.549 -11.293 -4.131 1.00 1.00 C ATOM 1713 CD1 LEU A 110 -9.566 -12.425 -3.953 1.00 1.00 C ATOM 1714 CD2 LEU A 110 -8.331 -11.019 -5.630 1.00 1.00 C ATOM 0 H LEU A 110 -6.932 -10.236 -2.266 1.00 1.00 H new ATOM 0 HA LEU A 110 -7.728 -8.732 -4.508 1.00 1.00 H new ATOM 0 HB2 LEU A 110 -9.330 -10.264 -2.397 1.00 1.00 H new ATOM 0 HB3 LEU A 110 -9.997 -9.701 -3.917 1.00 1.00 H new ATOM 0 HG LEU A 110 -7.595 -11.579 -3.689 1.00 1.00 H new ATOM 0 HD11 LEU A 110 -9.199 -13.325 -4.446 1.00 1.00 H new ATOM 0 HD12 LEU A 110 -9.706 -12.625 -2.891 1.00 1.00 H new ATOM 0 HD13 LEU A 110 -10.518 -12.132 -4.396 1.00 1.00 H new ATOM 0 HD21 LEU A 110 -7.955 -11.920 -6.114 1.00 1.00 H new ATOM 0 HD22 LEU A 110 -9.277 -10.729 -6.088 1.00 1.00 H new ATOM 0 HD23 LEU A 110 -7.607 -10.213 -5.751 1.00 1.00 H new ATOM 1726 N LYS A 111 -8.768 -7.613 -1.585 1.00 1.00 N ATOM 1727 CA LYS A 111 -9.358 -6.450 -0.954 1.00 1.00 C ATOM 1728 C LYS A 111 -8.469 -5.230 -1.158 1.00 1.00 C ATOM 1729 O LYS A 111 -8.944 -4.141 -1.484 1.00 1.00 O ATOM 1730 CB LYS A 111 -9.555 -6.693 0.547 1.00 1.00 C ATOM 1731 CG LYS A 111 -10.640 -7.751 0.753 1.00 1.00 C ATOM 1732 CD LYS A 111 -10.815 -8.020 2.246 1.00 1.00 C ATOM 1733 CE LYS A 111 -11.893 -9.087 2.443 1.00 1.00 C ATOM 1734 NZ LYS A 111 -12.052 -9.376 3.896 1.00 1.00 N ATOM 0 H LYS A 111 -8.469 -8.349 -0.945 1.00 1.00 H new ATOM 0 HA LYS A 111 -10.329 -6.269 -1.415 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -8.620 -7.023 0.999 1.00 1.00 H new ATOM 0 HB3 LYS A 111 -9.838 -5.765 1.043 1.00 1.00 H new ATOM 0 HG2 LYS A 111 -11.581 -7.410 0.322 1.00 1.00 H new ATOM 0 HG3 LYS A 111 -10.368 -8.671 0.237 1.00 1.00 H new ATOM 0 HD2 LYS A 111 -9.873 -8.354 2.680 1.00 1.00 H new ATOM 0 HD3 LYS A 111 -11.096 -7.102 2.762 1.00 1.00 H new ATOM 0 HE2 LYS A 111 -12.839 -8.744 2.025 1.00 1.00 H new ATOM 0 HE3 LYS A 111 -11.620 -9.997 1.909 1.00 1.00 H new ATOM 0 HZ1 LYS A 111 -12.785 -10.102 4.027 1.00 1.00 H new ATOM 0 HZ2 LYS A 111 -11.150 -9.721 4.282 1.00 1.00 H new ATOM 0 HZ3 LYS A 111 -12.332 -8.507 4.394 1.00 1.00 H new ATOM 1748 N PHE A 112 -7.174 -5.431 -0.952 1.00 1.00 N ATOM 1749 CA PHE A 112 -6.196 -4.361 -1.100 1.00 1.00 C ATOM 1750 C PHE A 112 -6.174 -3.823 -2.526 1.00 1.00 C ATOM 1751 O PHE A 112 -6.223 -2.612 -2.742 1.00 1.00 O ATOM 1752 CB PHE A 112 -4.814 -4.906 -0.716 1.00 1.00 C ATOM 1753 CG PHE A 112 -3.720 -3.937 -1.105 1.00 1.00 C ATOM 1754 CD1 PHE A 112 -3.551 -2.745 -0.394 1.00 1.00 C ATOM 1755 CD2 PHE A 112 -2.875 -4.235 -2.181 1.00 1.00 C ATOM 1756 CE1 PHE A 112 -2.537 -1.849 -0.761 1.00 1.00 C ATOM 1757 CE2 PHE A 112 -1.864 -3.343 -2.547 1.00 1.00 C ATOM 1758 CZ PHE A 112 -1.695 -2.150 -1.839 1.00 1.00 C ATOM 0 H PHE A 112 -6.775 -6.330 -0.681 1.00 1.00 H new ATOM 0 HA PHE A 112 -6.470 -3.534 -0.445 1.00 1.00 H new ATOM 0 HB2 PHE A 112 -4.777 -5.089 0.358 1.00 1.00 H new ATOM 0 HB3 PHE A 112 -4.648 -5.864 -1.208 1.00 1.00 H new ATOM 0 HD1 PHE A 112 -4.201 -2.515 0.437 1.00 1.00 H new ATOM 0 HD2 PHE A 112 -3.005 -5.156 -2.729 1.00 1.00 H new ATOM 0 HE1 PHE A 112 -2.405 -0.928 -0.213 1.00 1.00 H new ATOM 0 HE2 PHE A 112 -1.213 -3.575 -3.377 1.00 1.00 H new ATOM 0 HZ PHE A 112 -0.915 -1.460 -2.123 1.00 1.00 H new ATOM 1768 N LEU A 113 -6.088 -4.725 -3.495 1.00 1.00 N ATOM 1769 CA LEU A 113 -6.044 -4.312 -4.890 1.00 1.00 C ATOM 1770 C LEU A 113 -7.363 -3.680 -5.320 1.00 1.00 C ATOM 1771 O LEU A 113 -7.375 -2.692 -6.051 1.00 1.00 O ATOM 1772 CB LEU A 113 -5.712 -5.512 -5.779 1.00 1.00 C ATOM 1773 CG LEU A 113 -4.275 -5.989 -5.499 1.00 1.00 C ATOM 1774 CD1 LEU A 113 -4.012 -7.276 -6.288 1.00 1.00 C ATOM 1775 CD2 LEU A 113 -3.255 -4.901 -5.901 1.00 1.00 C ATOM 0 H LEU A 113 -6.048 -5.733 -3.344 1.00 1.00 H new ATOM 0 HA LEU A 113 -5.263 -3.560 -5.000 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -6.417 -6.322 -5.590 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -5.816 -5.238 -6.829 1.00 1.00 H new ATOM 0 HG LEU A 113 -4.162 -6.183 -4.432 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -2.996 -7.620 -6.095 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -4.720 -8.044 -5.978 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -4.132 -7.081 -7.354 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -2.245 -5.256 -5.696 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -3.355 -4.684 -6.965 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -3.445 -3.994 -5.327 1.00 1.00 H new ATOM 1787 N SER A 114 -8.471 -4.256 -4.872 1.00 1.00 N ATOM 1788 CA SER A 114 -9.784 -3.732 -5.231 1.00 1.00 C ATOM 1789 C SER A 114 -9.973 -2.313 -4.700 1.00 1.00 C ATOM 1790 O SER A 114 -10.467 -1.435 -5.408 1.00 1.00 O ATOM 1791 CB SER A 114 -10.870 -4.635 -4.657 1.00 1.00 C ATOM 1792 OG SER A 114 -10.728 -4.702 -3.244 1.00 1.00 O ATOM 0 H SER A 114 -8.489 -5.077 -4.266 1.00 1.00 H new ATOM 0 HA SER A 114 -9.856 -3.707 -6.318 1.00 1.00 H new ATOM 0 HB2 SER A 114 -11.855 -4.248 -4.917 1.00 1.00 H new ATOM 0 HB3 SER A 114 -10.795 -5.633 -5.089 1.00 1.00 H new ATOM 0 HG SER A 114 -9.811 -4.461 -2.996 1.00 1.00 H new ATOM 1798 N ALA A 115 -9.587 -2.098 -3.448 1.00 1.00 N ATOM 1799 CA ALA A 115 -9.731 -0.785 -2.824 1.00 1.00 C ATOM 1800 C ALA A 115 -8.774 0.238 -3.448 1.00 1.00 C ATOM 1801 O ALA A 115 -9.181 1.347 -3.796 1.00 1.00 O ATOM 1802 CB ALA A 115 -9.476 -0.900 -1.314 1.00 1.00 C ATOM 0 H ALA A 115 -9.174 -2.811 -2.846 1.00 1.00 H new ATOM 0 HA ALA A 115 -10.749 -0.434 -2.995 1.00 1.00 H new ATOM 0 HB1 ALA A 115 -9.584 0.081 -0.851 1.00 1.00 H new ATOM 0 HB2 ALA A 115 -10.197 -1.590 -0.875 1.00 1.00 H new ATOM 0 HB3 ALA A 115 -8.466 -1.273 -1.143 1.00 1.00 H new ATOM 1808 N VAL A 116 -7.506 -0.140 -3.581 1.00 1.00 N ATOM 1809 CA VAL A 116 -6.503 0.756 -4.159 1.00 1.00 C ATOM 1810 C VAL A 116 -6.828 1.064 -5.617 1.00 1.00 C ATOM 1811 O VAL A 116 -6.751 2.214 -6.049 1.00 1.00 O ATOM 1812 CB VAL A 116 -5.111 0.120 -4.057 1.00 1.00 C ATOM 1813 CG1 VAL A 116 -4.097 0.942 -4.863 1.00 1.00 C ATOM 1814 CG2 VAL A 116 -4.679 0.086 -2.590 1.00 1.00 C ATOM 0 H VAL A 116 -7.148 -1.053 -3.300 1.00 1.00 H new ATOM 0 HA VAL A 116 -6.514 1.691 -3.598 1.00 1.00 H new ATOM 0 HB VAL A 116 -5.150 -0.893 -4.458 1.00 1.00 H new ATOM 0 HG11 VAL A 116 -3.112 0.483 -4.784 1.00 1.00 H new ATOM 0 HG12 VAL A 116 -4.402 0.971 -5.909 1.00 1.00 H new ATOM 0 HG13 VAL A 116 -4.056 1.957 -4.469 1.00 1.00 H new ATOM 0 HG21 VAL A 116 -3.690 -0.365 -2.512 1.00 1.00 H new ATOM 0 HG22 VAL A 116 -4.646 1.102 -2.197 1.00 1.00 H new ATOM 0 HG23 VAL A 116 -5.393 -0.503 -2.014 1.00 1.00 H new ATOM 1824 N LEU A 117 -7.188 0.034 -6.371 1.00 1.00 N ATOM 1825 CA LEU A 117 -7.515 0.214 -7.778 1.00 1.00 C ATOM 1826 C LEU A 117 -8.704 1.150 -7.924 1.00 1.00 C ATOM 1827 O LEU A 117 -8.704 2.046 -8.762 1.00 1.00 O ATOM 1828 CB LEU A 117 -7.854 -1.140 -8.406 1.00 1.00 C ATOM 1829 CG LEU A 117 -8.334 -0.957 -9.854 1.00 1.00 C ATOM 1830 CD1 LEU A 117 -7.271 -0.215 -10.673 1.00 1.00 C ATOM 1831 CD2 LEU A 117 -8.592 -2.335 -10.464 1.00 1.00 C ATOM 0 H LEU A 117 -7.261 -0.926 -6.035 1.00 1.00 H new ATOM 0 HA LEU A 117 -6.654 0.648 -8.287 1.00 1.00 H new ATOM 0 HB2 LEU A 117 -6.977 -1.786 -8.387 1.00 1.00 H new ATOM 0 HB3 LEU A 117 -8.628 -1.636 -7.820 1.00 1.00 H new ATOM 0 HG LEU A 117 -9.252 -0.369 -9.864 1.00 1.00 H new ATOM 0 HD11 LEU A 117 -7.622 -0.091 -11.697 1.00 1.00 H new ATOM 0 HD12 LEU A 117 -7.089 0.764 -10.231 1.00 1.00 H new ATOM 0 HD13 LEU A 117 -6.345 -0.790 -10.674 1.00 1.00 H new ATOM 0 HD21 LEU A 117 -8.934 -2.219 -11.493 1.00 1.00 H new ATOM 0 HD22 LEU A 117 -7.670 -2.917 -10.451 1.00 1.00 H new ATOM 0 HD23 LEU A 117 -9.356 -2.852 -9.884 1.00 1.00 H new ATOM 1843 N ALA A 118 -9.717 0.925 -7.106 1.00 1.00 N ATOM 1844 CA ALA A 118 -10.917 1.745 -7.152 1.00 1.00 C ATOM 1845 C ALA A 118 -10.585 3.197 -6.834 1.00 1.00 C ATOM 1846 O ALA A 118 -11.148 4.116 -7.429 1.00 1.00 O ATOM 1847 CB ALA A 118 -11.945 1.220 -6.146 1.00 1.00 C ATOM 0 H ALA A 118 -9.734 0.185 -6.404 1.00 1.00 H new ATOM 0 HA ALA A 118 -11.334 1.693 -8.158 1.00 1.00 H new ATOM 0 HB1 ALA A 118 -12.842 1.839 -6.185 1.00 1.00 H new ATOM 0 HB2 ALA A 118 -12.203 0.190 -6.394 1.00 1.00 H new ATOM 0 HB3 ALA A 118 -11.523 1.257 -5.142 1.00 1.00 H new ATOM 1853 N ALA A 119 -9.670 3.401 -5.893 1.00 1.00 N ATOM 1854 CA ALA A 119 -9.280 4.753 -5.513 1.00 1.00 C ATOM 1855 C ALA A 119 -8.637 5.484 -6.686 1.00 1.00 C ATOM 1856 O ALA A 119 -9.006 6.614 -6.996 1.00 1.00 O ATOM 1857 CB ALA A 119 -8.303 4.707 -4.339 1.00 1.00 C ATOM 0 H ALA A 119 -9.190 2.658 -5.385 1.00 1.00 H new ATOM 0 HA ALA A 119 -10.178 5.294 -5.217 1.00 1.00 H new ATOM 0 HB1 ALA A 119 -8.018 5.722 -4.063 1.00 1.00 H new ATOM 0 HB2 ALA A 119 -8.779 4.220 -3.488 1.00 1.00 H new ATOM 0 HB3 ALA A 119 -7.414 4.146 -4.627 1.00 1.00 H new ATOM 1863 N GLN A 120 -7.677 4.837 -7.338 1.00 1.00 N ATOM 1864 CA GLN A 120 -6.997 5.452 -8.477 1.00 1.00 C ATOM 1865 C GLN A 120 -7.923 5.534 -9.687 1.00 1.00 C ATOM 1866 O GLN A 120 -7.907 6.516 -10.430 1.00 1.00 O ATOM 1867 CB GLN A 120 -5.737 4.659 -8.837 1.00 1.00 C ATOM 1868 CG GLN A 120 -4.679 4.865 -7.749 1.00 1.00 C ATOM 1869 CD GLN A 120 -3.416 4.080 -8.089 1.00 1.00 C ATOM 1870 OE1 GLN A 120 -3.454 2.853 -8.183 1.00 1.00 O ATOM 1871 NE2 GLN A 120 -2.292 4.717 -8.277 1.00 1.00 N ATOM 0 H GLN A 120 -7.354 3.899 -7.103 1.00 1.00 H new ATOM 0 HA GLN A 120 -6.712 6.465 -8.192 1.00 1.00 H new ATOM 0 HB2 GLN A 120 -5.975 3.600 -8.932 1.00 1.00 H new ATOM 0 HB3 GLN A 120 -5.351 4.987 -9.802 1.00 1.00 H new ATOM 0 HG2 GLN A 120 -4.443 5.925 -7.656 1.00 1.00 H new ATOM 0 HG3 GLN A 120 -5.070 4.540 -6.785 1.00 1.00 H new ATOM 0 HE21 GLN A 120 -2.263 5.734 -8.199 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -1.443 4.198 -8.502 1.00 1.00 H new ATOM 1880 N LYS A 121 -8.729 4.498 -9.872 1.00 1.00 N ATOM 1881 CA LYS A 121 -9.668 4.444 -10.985 1.00 1.00 C ATOM 1882 C LYS A 121 -10.675 5.582 -10.880 1.00 1.00 C ATOM 1883 O LYS A 121 -10.988 6.245 -11.868 1.00 1.00 O ATOM 1884 CB LYS A 121 -10.400 3.106 -10.946 1.00 1.00 C ATOM 1885 CG LYS A 121 -11.313 2.956 -12.162 1.00 1.00 C ATOM 1886 CD LYS A 121 -12.024 1.608 -12.062 1.00 1.00 C ATOM 1887 CE LYS A 121 -12.938 1.404 -13.270 1.00 1.00 C ATOM 1888 NZ LYS A 121 -13.601 0.071 -13.170 1.00 1.00 N ATOM 0 H LYS A 121 -8.752 3.680 -9.263 1.00 1.00 H new ATOM 0 HA LYS A 121 -9.125 4.546 -11.924 1.00 1.00 H new ATOM 0 HB2 LYS A 121 -9.677 2.290 -10.925 1.00 1.00 H new ATOM 0 HB3 LYS A 121 -10.989 3.034 -10.032 1.00 1.00 H new ATOM 0 HG2 LYS A 121 -12.040 3.768 -12.194 1.00 1.00 H new ATOM 0 HG3 LYS A 121 -10.732 3.012 -13.083 1.00 1.00 H new ATOM 0 HD2 LYS A 121 -11.290 0.804 -12.012 1.00 1.00 H new ATOM 0 HD3 LYS A 121 -12.608 1.564 -11.143 1.00 1.00 H new ATOM 0 HE2 LYS A 121 -13.688 2.194 -13.310 1.00 1.00 H new ATOM 0 HE3 LYS A 121 -12.360 1.467 -14.192 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 -14.223 -0.070 -13.991 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 -12.878 -0.676 -13.152 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 -14.165 0.028 -12.297 1.00 1.00 H new ATOM 1902 N ALA A 122 -11.186 5.791 -9.673 1.00 1.00 N ATOM 1903 CA ALA A 122 -12.168 6.845 -9.439 1.00 1.00 C ATOM 1904 C ALA A 122 -11.590 8.222 -9.765 1.00 1.00 C ATOM 1905 O ALA A 122 -12.273 9.062 -10.354 1.00 1.00 O ATOM 1906 CB ALA A 122 -12.619 6.820 -7.978 1.00 1.00 C ATOM 0 H ALA A 122 -10.939 5.249 -8.845 1.00 1.00 H new ATOM 0 HA ALA A 122 -13.020 6.662 -10.094 1.00 1.00 H new ATOM 0 HB1 ALA A 122 -13.352 7.609 -7.810 1.00 1.00 H new ATOM 0 HB2 ALA A 122 -13.069 5.853 -7.753 1.00 1.00 H new ATOM 0 HB3 ALA A 122 -11.758 6.980 -7.329 1.00 1.00 H new ATOM 1912 N GLN A 123 -10.338 8.456 -9.380 1.00 1.00 N ATOM 1913 CA GLN A 123 -9.703 9.745 -9.643 1.00 1.00 C ATOM 1914 C GLN A 123 -9.533 9.965 -11.142 1.00 1.00 C ATOM 1915 O GLN A 123 -9.753 11.067 -11.645 1.00 1.00 O ATOM 1916 CB GLN A 123 -8.336 9.813 -8.961 1.00 1.00 C ATOM 1917 CG GLN A 123 -8.525 9.815 -7.443 1.00 1.00 C ATOM 1918 CD GLN A 123 -7.167 9.822 -6.750 1.00 1.00 C ATOM 1919 OE1 GLN A 123 -6.372 8.904 -6.937 1.00 1.00 O ATOM 1920 NE2 GLN A 123 -6.856 10.808 -5.954 1.00 1.00 N ATOM 0 H GLN A 123 -9.750 7.781 -8.892 1.00 1.00 H new ATOM 0 HA GLN A 123 -10.347 10.527 -9.240 1.00 1.00 H new ATOM 0 HB2 GLN A 123 -7.725 8.962 -9.261 1.00 1.00 H new ATOM 0 HB3 GLN A 123 -7.806 10.712 -9.274 1.00 1.00 H new ATOM 0 HG2 GLN A 123 -9.101 10.689 -7.141 1.00 1.00 H new ATOM 0 HG3 GLN A 123 -9.094 8.937 -7.138 1.00 1.00 H new ATOM 0 HE21 GLN A 123 -7.518 11.568 -5.801 1.00 1.00 H new ATOM 0 HE22 GLN A 123 -5.950 10.818 -5.485 1.00 1.00 H new ATOM 1929 N SER A 124 -9.140 8.911 -11.849 1.00 1.00 N ATOM 1930 CA SER A 124 -8.943 9.003 -13.292 1.00 1.00 C ATOM 1931 C SER A 124 -10.280 8.893 -14.019 1.00 1.00 C ATOM 1932 O SER A 124 -11.285 8.731 -13.348 1.00 1.00 O ATOM 1933 CB SER A 124 -8.011 7.887 -13.763 1.00 1.00 C ATOM 1934 OG SER A 124 -6.685 8.173 -13.338 1.00 1.00 O ATOM 1935 OXT SER A 124 -10.278 8.976 -15.237 1.00 1.00 O ATOM 0 H SER A 124 -8.953 7.991 -11.451 1.00 1.00 H new ATOM 0 HA SER A 124 -8.494 9.970 -13.520 1.00 1.00 H new ATOM 0 HB2 SER A 124 -8.337 6.929 -13.357 1.00 1.00 H new ATOM 0 HB3 SER A 124 -8.047 7.801 -14.849 1.00 1.00 H new ATOM 0 HG SER A 124 -6.084 7.459 -13.637 1.00 1.00 H new