USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 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 45 MET CE :methyl 153:sc= -2.71! (180deg=-5.16!) USER MOD Set 1.2: A 50 GLN : amide:sc= 0 K(o=-2.7,f=-3.3) USER MOD Set 2.1: A 16 GLN : amide:sc= -0.169 K(o=-0.17,f=-1.8!) USER MOD Set 2.2: A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.1) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0795 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.781 K(o=0.78,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0.00363 X(o=0.0036,f=0) USER MOD Single : A 35 CYS SG : rot -11:sc= -0.467 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0512) USER MOD Single : A 43 LYS NZ :NH3+ -178:sc= 0.0135 (180deg=0.00962) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0.088) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.799 USER MOD Single : A 58 GLN : amide:sc= -0.811 K(o=-0.81,f=-0.13) USER MOD Single : A 60 MET CE :methyl -161:sc=-0.00751 (180deg=-0.0879) USER MOD Single : A 69 SER OG : rot -84:sc= 0.787 USER MOD Single : A 71 THR OG1 : rot -170:sc=-0.00915 USER MOD Single : A 80 MET CE :methyl 138:sc= -0.915 (180deg=-2.04!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 8.633 -3.624 -18.604 1.00 0.00 N ATOM 47 CA ILE A 4 7.583 -4.429 -17.965 1.00 0.00 C ATOM 48 C ILE A 4 6.272 -3.641 -17.889 1.00 0.00 C ATOM 49 O ILE A 4 5.192 -4.225 -17.873 1.00 0.00 O ATOM 50 CB ILE A 4 7.987 -4.899 -16.554 1.00 0.00 C ATOM 51 CG1 ILE A 4 7.852 -3.746 -15.536 1.00 0.00 C ATOM 52 CG2 ILE A 4 9.424 -5.435 -16.572 1.00 0.00 C ATOM 53 CD1 ILE A 4 9.020 -2.762 -15.660 1.00 0.00 C ATOM 0 HA ILE A 4 7.442 -5.314 -18.585 1.00 0.00 H new ATOM 0 HB ILE A 4 7.316 -5.701 -16.248 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.911 -3.221 -15.699 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.820 -4.151 -14.525 1.00 0.00 H new ATOM 0 HG21 ILE A 4 9.702 -5.765 -15.571 1.00 0.00 H new ATOM 0 HG22 ILE A 4 9.490 -6.276 -17.263 1.00 0.00 H new ATOM 0 HG23 ILE A 4 10.103 -4.646 -16.895 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.899 -1.960 -14.931 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.958 -3.285 -15.472 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.035 -2.340 -16.665 1.00 0.00 H new ATOM 65 N TYR A 5 6.384 -2.307 -17.854 1.00 0.00 N ATOM 66 CA TYR A 5 5.204 -1.442 -17.793 1.00 0.00 C ATOM 67 C TYR A 5 4.467 -1.461 -19.131 1.00 0.00 C ATOM 68 O TYR A 5 3.238 -1.400 -19.181 1.00 0.00 O ATOM 69 CB TYR A 5 5.606 0.002 -17.477 1.00 0.00 C ATOM 70 CG TYR A 5 6.469 0.030 -16.237 1.00 0.00 C ATOM 71 CD1 TYR A 5 5.931 -0.351 -15.004 1.00 0.00 C ATOM 72 CD2 TYR A 5 7.807 0.431 -16.324 1.00 0.00 C ATOM 73 CE1 TYR A 5 6.729 -0.330 -13.856 1.00 0.00 C ATOM 74 CE2 TYR A 5 8.606 0.450 -15.176 1.00 0.00 C ATOM 75 CZ TYR A 5 8.067 0.070 -13.941 1.00 0.00 C ATOM 76 OH TYR A 5 8.855 0.087 -12.808 1.00 0.00 O ATOM 0 H TYR A 5 7.274 -1.808 -17.867 1.00 0.00 H new ATOM 0 HA TYR A 5 4.554 -1.819 -17.004 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.149 0.431 -18.319 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.716 0.613 -17.326 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.899 -0.662 -14.938 1.00 0.00 H new ATOM 0 HD2 TYR A 5 8.222 0.725 -17.277 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.312 -0.623 -12.903 1.00 0.00 H new ATOM 0 HE2 TYR A 5 9.639 0.758 -15.242 1.00 0.00 H new ATOM 0 HH TYR A 5 9.758 0.388 -13.042 1.00 0.00 H new ATOM 86 N LYS A 6 5.245 -1.551 -20.215 1.00 0.00 N ATOM 87 CA LYS A 6 4.675 -1.583 -21.567 1.00 0.00 C ATOM 88 C LYS A 6 4.090 -2.961 -21.853 1.00 0.00 C ATOM 89 O LYS A 6 3.025 -3.087 -22.458 1.00 0.00 O ATOM 90 CB LYS A 6 5.742 -1.259 -22.623 1.00 0.00 C ATOM 91 CG LYS A 6 6.587 -0.057 -22.175 1.00 0.00 C ATOM 92 CD LYS A 6 5.673 1.049 -21.636 1.00 0.00 C ATOM 93 CE LYS A 6 6.518 2.120 -20.939 1.00 0.00 C ATOM 94 NZ LYS A 6 5.824 3.438 -21.020 1.00 0.00 N ATOM 0 H LYS A 6 6.263 -1.603 -20.184 1.00 0.00 H new ATOM 0 HA LYS A 6 3.890 -0.829 -21.619 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.384 -2.126 -22.779 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.264 -1.041 -23.578 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.294 -0.365 -21.404 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.173 0.320 -23.013 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.104 1.494 -22.452 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.951 0.629 -20.936 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.681 1.847 -19.896 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.500 2.185 -21.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.400 4.163 -20.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.691 3.699 -22.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.897 3.372 -20.553 1.00 0.00 H new ATOM 108 N ALA A 7 4.798 -3.990 -21.392 1.00 0.00 N ATOM 109 CA ALA A 7 4.346 -5.368 -21.576 1.00 0.00 C ATOM 110 C ALA A 7 3.164 -5.675 -20.647 1.00 0.00 C ATOM 111 O ALA A 7 2.332 -6.531 -20.950 1.00 0.00 O ATOM 112 CB ALA A 7 5.484 -6.348 -21.276 1.00 0.00 C ATOM 0 H ALA A 7 5.682 -3.897 -20.891 1.00 0.00 H new ATOM 0 HA ALA A 7 4.031 -5.483 -22.613 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.131 -7.370 -21.418 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.318 -6.155 -21.951 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.814 -6.218 -20.245 1.00 0.00 H new ATOM 118 N ALA A 8 3.104 -4.964 -19.513 1.00 0.00 N ATOM 119 CA ALA A 8 2.028 -5.164 -18.542 1.00 0.00 C ATOM 120 C ALA A 8 0.767 -4.401 -18.943 1.00 0.00 C ATOM 121 O ALA A 8 -0.343 -4.868 -18.694 1.00 0.00 O ATOM 122 CB ALA A 8 2.459 -4.693 -17.153 1.00 0.00 C ATOM 0 H ALA A 8 3.784 -4.251 -19.250 1.00 0.00 H new ATOM 0 HA ALA A 8 1.811 -6.232 -18.522 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.644 -4.851 -16.446 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.333 -5.260 -16.832 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.708 -3.632 -17.189 1.00 0.00 H new ATOM 128 N VAL A 9 0.940 -3.222 -19.557 1.00 0.00 N ATOM 129 CA VAL A 9 -0.211 -2.408 -19.971 1.00 0.00 C ATOM 130 C VAL A 9 -1.164 -3.202 -20.876 1.00 0.00 C ATOM 131 O VAL A 9 -2.381 -3.005 -20.830 1.00 0.00 O ATOM 132 CB VAL A 9 0.257 -1.125 -20.684 1.00 0.00 C ATOM 133 CG1 VAL A 9 0.537 -1.399 -22.166 1.00 0.00 C ATOM 134 CG2 VAL A 9 -0.829 -0.053 -20.565 1.00 0.00 C ATOM 0 H VAL A 9 1.850 -2.816 -19.775 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.757 -2.129 -19.070 1.00 0.00 H new ATOM 0 HB VAL A 9 1.177 -0.780 -20.212 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.866 -0.480 -22.650 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.317 -2.155 -22.255 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.373 -1.757 -22.648 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.500 0.856 -21.069 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.748 -0.413 -21.029 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.014 0.162 -19.513 1.00 0.00 H new ATOM 144 N GLU A 10 -0.603 -4.105 -21.687 1.00 0.00 N ATOM 145 CA GLU A 10 -1.417 -4.927 -22.587 1.00 0.00 C ATOM 146 C GLU A 10 -2.066 -6.096 -21.833 1.00 0.00 C ATOM 147 O GLU A 10 -3.033 -6.690 -22.314 1.00 0.00 O ATOM 148 CB GLU A 10 -0.558 -5.490 -23.725 1.00 0.00 C ATOM 149 CG GLU A 10 -0.180 -4.362 -24.690 1.00 0.00 C ATOM 150 CD GLU A 10 0.736 -4.909 -25.781 1.00 0.00 C ATOM 151 OE1 GLU A 10 1.937 -4.922 -25.569 1.00 0.00 O ATOM 152 OE2 GLU A 10 0.221 -5.308 -26.814 1.00 0.00 O ATOM 0 H GLU A 10 0.400 -4.284 -21.739 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.198 -4.287 -22.996 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.342 -5.953 -23.320 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.105 -6.269 -24.256 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.078 -3.934 -25.135 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.321 -3.559 -24.149 1.00 0.00 H new ATOM 159 N GLN A 11 -1.527 -6.419 -20.649 1.00 0.00 N ATOM 160 CA GLN A 11 -2.062 -7.518 -19.842 1.00 0.00 C ATOM 161 C GLN A 11 -3.125 -7.016 -18.864 1.00 0.00 C ATOM 162 O GLN A 11 -4.146 -7.675 -18.657 1.00 0.00 O ATOM 163 CB GLN A 11 -0.941 -8.203 -19.048 1.00 0.00 C ATOM 164 CG GLN A 11 0.150 -8.702 -20.004 1.00 0.00 C ATOM 165 CD GLN A 11 -0.392 -9.849 -20.855 1.00 0.00 C ATOM 166 OE1 GLN A 11 -0.720 -10.916 -20.334 1.00 0.00 O ATOM 167 NE2 GLN A 11 -0.504 -9.694 -22.147 1.00 0.00 N ATOM 0 H GLN A 11 -0.729 -5.938 -20.234 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.515 -8.234 -20.528 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.514 -7.504 -18.329 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.346 -9.039 -18.478 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.484 -7.887 -20.646 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.018 -9.037 -19.436 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.233 -8.811 -22.580 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.863 -10.456 -22.723 1.00 0.00 H new ATOM 176 N LEU A 12 -2.872 -5.849 -18.263 1.00 0.00 N ATOM 177 CA LEU A 12 -3.811 -5.268 -17.301 1.00 0.00 C ATOM 178 C LEU A 12 -5.173 -5.027 -17.946 1.00 0.00 C ATOM 179 O LEU A 12 -5.274 -4.420 -19.015 1.00 0.00 O ATOM 180 CB LEU A 12 -3.277 -3.939 -16.765 1.00 0.00 C ATOM 181 CG LEU A 12 -2.052 -4.054 -15.853 1.00 0.00 C ATOM 182 CD1 LEU A 12 -0.945 -3.135 -16.371 1.00 0.00 C ATOM 183 CD2 LEU A 12 -2.435 -3.647 -14.428 1.00 0.00 C ATOM 0 H LEU A 12 -2.032 -5.293 -18.424 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.921 -5.977 -16.481 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.023 -3.299 -17.610 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.075 -3.439 -16.215 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.695 -5.084 -15.849 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.072 -3.216 -15.723 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.673 -3.429 -17.385 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.300 -2.104 -16.375 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.563 -3.729 -13.779 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.792 -2.617 -14.427 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.223 -4.305 -14.061 1.00 0.00 H new ATOM 195 N THR A 13 -6.219 -5.511 -17.276 1.00 0.00 N ATOM 196 CA THR A 13 -7.587 -5.352 -17.776 1.00 0.00 C ATOM 197 C THR A 13 -8.203 -4.060 -17.251 1.00 0.00 C ATOM 198 O THR A 13 -7.663 -3.414 -16.349 1.00 0.00 O ATOM 199 CB THR A 13 -8.472 -6.533 -17.343 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.992 -7.073 -16.117 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.452 -7.612 -18.426 1.00 0.00 C ATOM 0 H THR A 13 -6.148 -6.013 -16.391 1.00 0.00 H new ATOM 0 HA THR A 13 -7.535 -5.319 -18.864 1.00 0.00 H new ATOM 0 HB THR A 13 -9.494 -6.183 -17.201 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.560 -7.824 -15.845 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.079 -8.448 -18.118 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.832 -7.198 -19.360 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.430 -7.960 -18.574 1.00 0.00 H new ATOM 209 N ASP A 14 -9.358 -3.701 -17.816 1.00 0.00 N ATOM 210 CA ASP A 14 -10.066 -2.494 -17.390 1.00 0.00 C ATOM 211 C ASP A 14 -10.608 -2.686 -15.977 1.00 0.00 C ATOM 212 O ASP A 14 -10.689 -1.737 -15.196 1.00 0.00 O ATOM 213 CB ASP A 14 -11.233 -2.185 -18.335 1.00 0.00 C ATOM 214 CG ASP A 14 -10.691 -1.750 -19.694 1.00 0.00 C ATOM 215 OD1 ASP A 14 -10.404 -0.573 -19.847 1.00 0.00 O ATOM 216 OD2 ASP A 14 -10.570 -2.600 -20.562 1.00 0.00 O ATOM 0 H ASP A 14 -9.818 -4.223 -18.562 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.363 -1.661 -17.411 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.864 -3.066 -18.449 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.857 -1.398 -17.912 1.00 0.00 H new ATOM 221 N GLU A 15 -10.971 -3.934 -15.658 1.00 0.00 N ATOM 222 CA GLU A 15 -11.502 -4.264 -14.337 1.00 0.00 C ATOM 223 C GLU A 15 -10.432 -4.084 -13.257 1.00 0.00 C ATOM 224 O GLU A 15 -10.725 -3.642 -12.147 1.00 0.00 O ATOM 225 CB GLU A 15 -12.026 -5.707 -14.319 1.00 0.00 C ATOM 226 CG GLU A 15 -10.882 -6.725 -14.461 1.00 0.00 C ATOM 227 CD GLU A 15 -10.701 -7.485 -13.149 1.00 0.00 C ATOM 228 OE1 GLU A 15 -10.016 -6.974 -12.277 1.00 0.00 O ATOM 229 OE2 GLU A 15 -11.248 -8.570 -13.036 1.00 0.00 O ATOM 0 H GLU A 15 -10.906 -4.727 -16.296 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.326 -3.583 -14.124 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.562 -5.889 -13.388 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.740 -5.846 -15.130 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.102 -7.423 -15.269 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.957 -6.212 -14.726 1.00 0.00 H new ATOM 236 N GLN A 16 -9.191 -4.430 -13.606 1.00 0.00 N ATOM 237 CA GLN A 16 -8.069 -4.304 -12.670 1.00 0.00 C ATOM 238 C GLN A 16 -7.832 -2.838 -12.320 1.00 0.00 C ATOM 239 O GLN A 16 -7.695 -2.485 -11.147 1.00 0.00 O ATOM 240 CB GLN A 16 -6.787 -4.889 -13.275 1.00 0.00 C ATOM 241 CG GLN A 16 -6.691 -6.381 -12.942 1.00 0.00 C ATOM 242 CD GLN A 16 -6.104 -6.558 -11.543 1.00 0.00 C ATOM 243 OE1 GLN A 16 -6.775 -6.300 -10.543 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.877 -6.988 -11.409 1.00 0.00 N ATOM 0 H GLN A 16 -8.937 -4.797 -14.523 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.323 -4.859 -11.767 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.786 -4.747 -14.356 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.916 -4.363 -12.884 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.679 -6.839 -12.993 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.065 -6.888 -13.677 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.319 -7.203 -12.235 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.478 -7.109 -10.478 1.00 0.00 H new ATOM 253 N LYS A 17 -7.801 -1.987 -13.350 1.00 0.00 N ATOM 254 CA LYS A 17 -7.598 -0.555 -13.136 1.00 0.00 C ATOM 255 C LYS A 17 -8.824 0.059 -12.454 1.00 0.00 C ATOM 256 O LYS A 17 -8.701 1.017 -11.692 1.00 0.00 O ATOM 257 CB LYS A 17 -7.339 0.162 -14.465 1.00 0.00 C ATOM 258 CG LYS A 17 -5.829 0.228 -14.721 1.00 0.00 C ATOM 259 CD LYS A 17 -5.387 -0.993 -15.536 1.00 0.00 C ATOM 260 CE LYS A 17 -5.409 -0.652 -17.029 1.00 0.00 C ATOM 261 NZ LYS A 17 -4.032 -0.299 -17.483 1.00 0.00 N ATOM 0 H LYS A 17 -7.912 -2.261 -14.326 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.727 -0.430 -12.493 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.834 -0.367 -15.279 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.759 1.168 -14.436 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.581 1.144 -15.258 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.291 0.258 -13.773 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.384 -1.298 -15.237 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.049 -1.835 -15.336 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.785 -1.501 -17.601 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.088 0.181 -17.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.049 -0.068 -18.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.690 0.523 -16.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.396 -1.106 -17.323 1.00 0.00 H new ATOM 275 N ASN A 18 -10.004 -0.517 -12.719 1.00 0.00 N ATOM 276 CA ASN A 18 -11.243 -0.033 -12.103 1.00 0.00 C ATOM 277 C ASN A 18 -11.194 -0.251 -10.590 1.00 0.00 C ATOM 278 O ASN A 18 -11.583 0.623 -9.813 1.00 0.00 O ATOM 279 CB ASN A 18 -12.462 -0.768 -12.677 1.00 0.00 C ATOM 280 CG ASN A 18 -13.200 0.146 -13.651 1.00 0.00 C ATOM 281 OD1 ASN A 18 -14.104 0.883 -13.256 1.00 0.00 O ATOM 282 ND2 ASN A 18 -12.867 0.145 -14.914 1.00 0.00 N ATOM 0 H ASN A 18 -10.125 -1.310 -13.349 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.336 1.031 -12.321 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.144 -1.678 -13.186 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -13.129 -1.071 -11.870 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.355 0.754 -15.571 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.119 -0.465 -15.244 1.00 0.00 H new ATOM 289 N GLU A 19 -10.690 -1.425 -10.185 1.00 0.00 N ATOM 290 CA GLU A 19 -10.566 -1.753 -8.761 1.00 0.00 C ATOM 291 C GLU A 19 -9.482 -0.887 -8.129 1.00 0.00 C ATOM 292 O GLU A 19 -9.654 -0.358 -7.034 1.00 0.00 O ATOM 293 CB GLU A 19 -10.182 -3.225 -8.563 1.00 0.00 C ATOM 294 CG GLU A 19 -11.247 -4.131 -9.188 1.00 0.00 C ATOM 295 CD GLU A 19 -11.624 -5.235 -8.206 1.00 0.00 C ATOM 296 OE1 GLU A 19 -12.521 -5.013 -7.409 1.00 0.00 O ATOM 297 OE2 GLU A 19 -11.011 -6.289 -8.265 1.00 0.00 O ATOM 0 H GLU A 19 -10.365 -2.156 -10.818 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.532 -1.568 -8.290 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.212 -3.421 -9.020 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.084 -3.444 -7.500 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.129 -3.546 -9.448 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.870 -4.567 -10.113 1.00 0.00 H new ATOM 304 N PHE A 20 -8.361 -0.760 -8.843 1.00 0.00 N ATOM 305 CA PHE A 20 -7.230 0.040 -8.364 1.00 0.00 C ATOM 306 C PHE A 20 -7.627 1.506 -8.198 1.00 0.00 C ATOM 307 O PHE A 20 -7.316 2.128 -7.181 1.00 0.00 O ATOM 308 CB PHE A 20 -6.058 -0.043 -9.350 1.00 0.00 C ATOM 309 CG PHE A 20 -5.207 -1.262 -9.063 1.00 0.00 C ATOM 310 CD1 PHE A 20 -5.719 -2.331 -8.313 1.00 0.00 C ATOM 311 CD2 PHE A 20 -3.902 -1.322 -9.561 1.00 0.00 C ATOM 312 CE1 PHE A 20 -4.924 -3.453 -8.064 1.00 0.00 C ATOM 313 CE2 PHE A 20 -3.106 -2.442 -9.310 1.00 0.00 C ATOM 314 CZ PHE A 20 -3.616 -3.509 -8.561 1.00 0.00 C ATOM 0 H PHE A 20 -8.212 -1.199 -9.752 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.930 -0.364 -7.397 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.437 -0.089 -10.371 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.449 0.858 -9.277 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.727 -2.287 -7.928 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.508 -0.500 -10.141 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.318 -4.277 -7.488 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.097 -2.485 -9.694 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.001 -4.375 -8.366 1.00 0.00 H new ATOM 324 N LYS A 21 -8.311 2.049 -9.210 1.00 0.00 N ATOM 325 CA LYS A 21 -8.739 3.445 -9.167 1.00 0.00 C ATOM 326 C LYS A 21 -9.762 3.656 -8.057 1.00 0.00 C ATOM 327 O LYS A 21 -9.596 4.542 -7.220 1.00 0.00 O ATOM 328 CB LYS A 21 -9.346 3.872 -10.507 1.00 0.00 C ATOM 329 CG LYS A 21 -9.005 5.341 -10.771 1.00 0.00 C ATOM 330 CD LYS A 21 -9.951 6.239 -9.977 1.00 0.00 C ATOM 331 CE LYS A 21 -9.912 7.658 -10.545 1.00 0.00 C ATOM 332 NZ LYS A 21 -8.765 8.402 -9.947 1.00 0.00 N ATOM 0 H LYS A 21 -8.576 1.548 -10.058 1.00 0.00 H new ATOM 0 HA LYS A 21 -7.859 4.057 -8.967 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.958 3.246 -11.311 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.427 3.735 -10.490 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.972 5.542 -10.486 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.090 5.558 -11.836 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.967 5.846 -10.024 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.662 6.249 -8.926 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.811 7.624 -11.630 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.847 8.174 -10.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.738 9.367 -10.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.880 8.445 -8.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.876 7.913 -10.176 1.00 0.00 H new ATOM 346 N ALA A 22 -10.809 2.826 -8.047 1.00 0.00 N ATOM 347 CA ALA A 22 -11.847 2.928 -7.016 1.00 0.00 C ATOM 348 C ALA A 22 -11.230 2.791 -5.625 1.00 0.00 C ATOM 349 O ALA A 22 -11.516 3.584 -4.730 1.00 0.00 O ATOM 350 CB ALA A 22 -12.906 1.842 -7.200 1.00 0.00 C ATOM 0 H ALA A 22 -10.960 2.085 -8.731 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.318 3.906 -7.114 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.665 1.938 -6.423 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.373 1.951 -8.179 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.437 0.861 -7.129 1.00 0.00 H new ATOM 356 N ALA A 23 -10.364 1.784 -5.466 1.00 0.00 N ATOM 357 CA ALA A 23 -9.684 1.550 -4.188 1.00 0.00 C ATOM 358 C ALA A 23 -8.799 2.745 -3.811 1.00 0.00 C ATOM 359 O ALA A 23 -8.455 2.930 -2.642 1.00 0.00 O ATOM 360 CB ALA A 23 -8.811 0.290 -4.264 1.00 0.00 C ATOM 0 H ALA A 23 -10.119 1.122 -6.202 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.453 1.417 -3.427 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.315 0.133 -3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.436 -0.573 -4.494 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.061 0.413 -5.045 1.00 0.00 H new ATOM 366 N PHE A 24 -8.436 3.552 -4.815 1.00 0.00 N ATOM 367 CA PHE A 24 -7.598 4.723 -4.586 1.00 0.00 C ATOM 368 C PHE A 24 -8.450 5.958 -4.282 1.00 0.00 C ATOM 369 O PHE A 24 -8.264 6.598 -3.249 1.00 0.00 O ATOM 370 CB PHE A 24 -6.722 5.006 -5.815 1.00 0.00 C ATOM 371 CG PHE A 24 -5.479 5.761 -5.400 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.349 5.060 -4.959 1.00 0.00 C ATOM 373 CD2 PHE A 24 -5.451 7.161 -5.460 1.00 0.00 C ATOM 374 CE1 PHE A 24 -3.196 5.756 -4.576 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.297 7.856 -5.077 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.171 7.154 -4.635 1.00 0.00 C ATOM 0 H PHE A 24 -8.710 3.412 -5.787 1.00 0.00 H new ATOM 0 HA PHE A 24 -6.963 4.510 -3.726 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.444 4.069 -6.298 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.284 5.587 -6.546 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.367 3.981 -4.914 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.320 7.704 -5.802 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.326 5.214 -4.235 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.277 8.935 -5.123 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.282 7.691 -4.339 1.00 0.00 H new ATOM 386 N ASP A 25 -9.374 6.304 -5.194 1.00 0.00 N ATOM 387 CA ASP A 25 -10.213 7.494 -5.000 1.00 0.00 C ATOM 388 C ASP A 25 -11.055 7.431 -3.720 1.00 0.00 C ATOM 389 O ASP A 25 -11.374 8.473 -3.146 1.00 0.00 O ATOM 390 CB ASP A 25 -11.131 7.749 -6.210 1.00 0.00 C ATOM 391 CG ASP A 25 -12.000 6.530 -6.532 1.00 0.00 C ATOM 392 OD1 ASP A 25 -12.789 6.134 -5.690 1.00 0.00 O ATOM 393 OD2 ASP A 25 -11.882 6.029 -7.636 1.00 0.00 O ATOM 0 H ASP A 25 -9.555 5.788 -6.055 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.516 8.326 -4.899 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.771 8.608 -6.006 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.524 8.003 -7.079 1.00 0.00 H new ATOM 398 N ILE A 26 -11.412 6.222 -3.266 1.00 0.00 N ATOM 399 CA ILE A 26 -12.211 6.099 -2.038 1.00 0.00 C ATOM 400 C ILE A 26 -11.466 6.741 -0.865 1.00 0.00 C ATOM 401 O ILE A 26 -12.071 7.391 -0.010 1.00 0.00 O ATOM 402 CB ILE A 26 -12.523 4.632 -1.702 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.229 3.807 -1.688 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.491 4.067 -2.745 1.00 0.00 C ATOM 405 CD1 ILE A 26 -11.541 2.352 -1.329 1.00 0.00 C ATOM 0 H ILE A 26 -11.169 5.339 -3.714 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.156 6.615 -2.209 1.00 0.00 H new ATOM 0 HB ILE A 26 -12.982 4.579 -0.715 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.747 3.854 -2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.528 4.226 -0.966 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.714 3.026 -2.509 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.414 4.647 -2.736 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.035 4.125 -3.733 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.617 1.773 -1.321 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.003 2.312 -0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.225 1.934 -2.067 1.00 0.00 H new ATOM 417 N PHE A 27 -10.141 6.566 -0.854 1.00 0.00 N ATOM 418 CA PHE A 27 -9.302 7.143 0.196 1.00 0.00 C ATOM 419 C PHE A 27 -8.909 8.582 -0.161 1.00 0.00 C ATOM 420 O PHE A 27 -8.728 9.421 0.723 1.00 0.00 O ATOM 421 CB PHE A 27 -8.029 6.311 0.387 1.00 0.00 C ATOM 422 CG PHE A 27 -8.337 5.107 1.247 1.00 0.00 C ATOM 423 CD1 PHE A 27 -8.291 5.212 2.644 1.00 0.00 C ATOM 424 CD2 PHE A 27 -8.671 3.887 0.649 1.00 0.00 C ATOM 425 CE1 PHE A 27 -8.579 4.097 3.439 1.00 0.00 C ATOM 426 CE2 PHE A 27 -8.960 2.772 1.444 1.00 0.00 C ATOM 427 CZ PHE A 27 -8.914 2.877 2.839 1.00 0.00 C ATOM 0 H PHE A 27 -9.630 6.032 -1.557 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.877 7.142 1.122 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.643 5.991 -0.581 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.253 6.917 0.855 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.033 6.153 3.107 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.706 3.806 -0.427 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.543 4.177 4.515 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.218 1.831 0.981 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.137 2.017 3.453 1.00 0.00 H new ATOM 437 N ILE A 28 -8.775 8.854 -1.468 1.00 0.00 N ATOM 438 CA ILE A 28 -8.399 10.195 -1.936 1.00 0.00 C ATOM 439 C ILE A 28 -9.641 11.023 -2.292 1.00 0.00 C ATOM 440 O ILE A 28 -9.604 11.868 -3.191 1.00 0.00 O ATOM 441 CB ILE A 28 -7.484 10.103 -3.174 1.00 0.00 C ATOM 442 CG1 ILE A 28 -6.428 9.006 -2.988 1.00 0.00 C ATOM 443 CG2 ILE A 28 -6.769 11.437 -3.399 1.00 0.00 C ATOM 444 CD1 ILE A 28 -5.896 9.012 -1.550 1.00 0.00 C ATOM 0 H ILE A 28 -8.920 8.171 -2.212 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.864 10.686 -1.123 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.107 9.863 -4.035 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.862 8.033 -3.218 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.606 9.162 -3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.125 11.362 -4.275 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.507 12.223 -3.557 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.164 11.678 -2.525 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.148 8.228 -1.436 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.443 9.980 -1.334 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.718 8.833 -0.857 1.00 0.00 H new ATOM 456 N GLN A 29 -10.741 10.788 -1.570 1.00 0.00 N ATOM 457 CA GLN A 29 -11.975 11.540 -1.823 1.00 0.00 C ATOM 458 C GLN A 29 -11.796 13.001 -1.400 1.00 0.00 C ATOM 459 O GLN A 29 -12.290 13.915 -2.062 1.00 0.00 O ATOM 460 CB GLN A 29 -13.171 10.927 -1.072 1.00 0.00 C ATOM 461 CG GLN A 29 -12.865 10.817 0.427 1.00 0.00 C ATOM 462 CD GLN A 29 -14.135 10.425 1.176 1.00 0.00 C ATOM 463 OE1 GLN A 29 -14.736 11.251 1.864 1.00 0.00 O ATOM 464 NE2 GLN A 29 -14.584 9.202 1.084 1.00 0.00 N ATOM 0 H GLN A 29 -10.804 10.098 -0.821 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.182 11.491 -2.892 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.058 11.543 -1.224 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.395 9.940 -1.477 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.086 10.074 0.597 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.487 11.768 0.803 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.087 8.518 0.514 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.432 8.931 1.582 1.00 0.00 H new ATOM 473 N ASP A 30 -11.069 13.202 -0.296 1.00 0.00 N ATOM 474 CA ASP A 30 -10.803 14.546 0.217 1.00 0.00 C ATOM 475 C ASP A 30 -9.438 14.581 0.918 1.00 0.00 C ATOM 476 O ASP A 30 -9.282 15.195 1.978 1.00 0.00 O ATOM 477 CB ASP A 30 -11.896 14.968 1.211 1.00 0.00 C ATOM 478 CG ASP A 30 -13.191 15.261 0.459 1.00 0.00 C ATOM 479 OD1 ASP A 30 -13.297 16.338 -0.106 1.00 0.00 O ATOM 480 OD2 ASP A 30 -14.061 14.405 0.463 1.00 0.00 O ATOM 0 H ASP A 30 -10.656 12.451 0.257 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.799 15.240 -0.624 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.060 14.177 1.943 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.577 15.852 1.763 1.00 0.00 H new ATOM 485 N ALA A 31 -8.449 13.908 0.312 1.00 0.00 N ATOM 486 CA ALA A 31 -7.100 13.858 0.881 1.00 0.00 C ATOM 487 C ALA A 31 -6.442 15.237 0.849 1.00 0.00 C ATOM 488 O ALA A 31 -6.730 16.062 -0.020 1.00 0.00 O ATOM 489 CB ALA A 31 -6.226 12.870 0.102 1.00 0.00 C ATOM 0 H ALA A 31 -8.559 13.396 -0.564 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.190 13.529 1.916 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.227 12.845 0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.668 11.875 0.152 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.160 13.186 -0.939 1.00 0.00 H new ATOM 495 N GLU A 32 -5.551 15.469 1.815 1.00 0.00 N ATOM 496 CA GLU A 32 -4.840 16.748 1.910 1.00 0.00 C ATOM 497 C GLU A 32 -3.890 16.925 0.724 1.00 0.00 C ATOM 498 O GLU A 32 -3.892 17.965 0.062 1.00 0.00 O ATOM 499 CB GLU A 32 -4.031 16.827 3.212 1.00 0.00 C ATOM 500 CG GLU A 32 -4.976 16.798 4.419 1.00 0.00 C ATOM 501 CD GLU A 32 -5.423 18.218 4.758 1.00 0.00 C ATOM 502 OE1 GLU A 32 -4.745 18.859 5.545 1.00 0.00 O ATOM 503 OE2 GLU A 32 -6.436 18.643 4.227 1.00 0.00 O ATOM 0 H GLU A 32 -5.305 14.794 2.539 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.587 17.542 1.901 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.332 15.992 3.267 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.438 17.741 3.226 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.844 16.176 4.199 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.473 16.351 5.276 1.00 0.00 H new ATOM 510 N ASP A 33 -3.084 15.894 0.467 1.00 0.00 N ATOM 511 CA ASP A 33 -2.126 15.928 -0.643 1.00 0.00 C ATOM 512 C ASP A 33 -2.703 15.240 -1.884 1.00 0.00 C ATOM 513 O ASP A 33 -2.371 15.600 -3.015 1.00 0.00 O ATOM 514 CB ASP A 33 -0.821 15.225 -0.249 1.00 0.00 C ATOM 515 CG ASP A 33 -0.115 16.020 0.846 1.00 0.00 C ATOM 516 OD1 ASP A 33 -0.416 15.792 2.007 1.00 0.00 O ATOM 517 OD2 ASP A 33 0.717 16.847 0.508 1.00 0.00 O ATOM 0 H ASP A 33 -3.074 15.029 1.008 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.925 16.975 -0.872 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.033 14.215 0.102 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.171 15.131 -1.119 1.00 0.00 H new ATOM 522 N GLY A 34 -3.566 14.243 -1.659 1.00 0.00 N ATOM 523 CA GLY A 34 -4.184 13.500 -2.762 1.00 0.00 C ATOM 524 C GLY A 34 -3.543 12.118 -2.921 1.00 0.00 C ATOM 525 O GLY A 34 -3.432 11.603 -4.035 1.00 0.00 O ATOM 0 H GLY A 34 -3.851 13.934 -0.730 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.253 13.390 -2.577 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.077 14.063 -3.689 1.00 0.00 H new ATOM 529 N CYS A 35 -3.122 11.529 -1.794 1.00 0.00 N ATOM 530 CA CYS A 35 -2.486 10.208 -1.810 1.00 0.00 C ATOM 531 C CYS A 35 -2.827 9.433 -0.537 1.00 0.00 C ATOM 532 O CYS A 35 -3.482 9.957 0.369 1.00 0.00 O ATOM 533 CB CYS A 35 -0.965 10.350 -1.895 1.00 0.00 C ATOM 534 SG CYS A 35 -0.519 11.417 -3.287 1.00 0.00 S ATOM 0 H CYS A 35 -3.210 11.944 -0.866 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.859 9.670 -2.681 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.578 10.770 -0.966 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.506 9.369 -2.017 1.00 0.00 H new ATOM 0 HG CYS A 35 -1.565 11.617 -4.033 1.00 0.00 H new ATOM 540 N ILE A 36 -2.358 8.183 -0.466 1.00 0.00 N ATOM 541 CA ILE A 36 -2.605 7.353 0.714 1.00 0.00 C ATOM 542 C ILE A 36 -1.327 7.248 1.552 1.00 0.00 C ATOM 543 O ILE A 36 -0.274 7.749 1.160 1.00 0.00 O ATOM 544 CB ILE A 36 -3.086 5.948 0.318 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.058 5.273 -0.596 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.427 6.047 -0.415 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.425 4.094 0.141 1.00 0.00 C ATOM 0 H ILE A 36 -1.814 7.730 -1.200 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.391 7.826 1.303 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.206 5.352 1.223 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.539 4.929 -1.512 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.290 5.988 -0.889 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.764 5.049 -0.694 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.166 6.510 0.239 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.307 6.653 -1.313 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.693 3.611 -0.506 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.931 4.452 1.044 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.199 3.376 0.412 1.00 0.00 H new ATOM 559 N SER A 37 -1.431 6.599 2.712 1.00 0.00 N ATOM 560 CA SER A 37 -0.277 6.446 3.594 1.00 0.00 C ATOM 561 C SER A 37 0.431 5.119 3.338 1.00 0.00 C ATOM 562 O SER A 37 -0.186 4.135 2.923 1.00 0.00 O ATOM 563 CB SER A 37 -0.709 6.508 5.061 1.00 0.00 C ATOM 564 OG SER A 37 0.336 7.082 5.835 1.00 0.00 O ATOM 0 H SER A 37 -2.292 6.176 3.059 1.00 0.00 H new ATOM 0 HA SER A 37 0.411 7.265 3.383 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.618 7.101 5.160 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.940 5.507 5.426 1.00 0.00 H new ATOM 0 HG SER A 37 0.061 7.125 6.775 1.00 0.00 H new ATOM 570 N THR A 38 1.736 5.106 3.607 1.00 0.00 N ATOM 571 CA THR A 38 2.544 3.896 3.420 1.00 0.00 C ATOM 572 C THR A 38 2.036 2.766 4.319 1.00 0.00 C ATOM 573 O THR A 38 1.909 1.623 3.882 1.00 0.00 O ATOM 574 CB THR A 38 4.025 4.163 3.743 1.00 0.00 C ATOM 575 OG1 THR A 38 4.139 4.759 5.033 1.00 0.00 O ATOM 576 CG2 THR A 38 4.626 5.092 2.683 1.00 0.00 C ATOM 0 H THR A 38 2.256 5.913 3.953 1.00 0.00 H new ATOM 0 HA THR A 38 2.454 3.602 2.374 1.00 0.00 H new ATOM 0 HB THR A 38 4.569 3.218 3.739 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.084 4.925 5.234 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.675 5.279 2.915 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.549 4.623 1.702 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.082 6.037 2.677 1.00 0.00 H new ATOM 584 N LYS A 39 1.741 3.102 5.580 1.00 0.00 N ATOM 585 CA LYS A 39 1.242 2.107 6.535 1.00 0.00 C ATOM 586 C LYS A 39 -0.278 1.910 6.411 1.00 0.00 C ATOM 587 O LYS A 39 -0.870 1.134 7.164 1.00 0.00 O ATOM 588 CB LYS A 39 1.578 2.535 7.971 1.00 0.00 C ATOM 589 CG LYS A 39 3.090 2.765 8.113 1.00 0.00 C ATOM 590 CD LYS A 39 3.856 1.546 7.587 1.00 0.00 C ATOM 591 CE LYS A 39 5.363 1.793 7.710 1.00 0.00 C ATOM 592 NZ LYS A 39 6.021 0.597 8.313 1.00 0.00 N ATOM 0 H LYS A 39 1.838 4.044 5.959 1.00 0.00 H new ATOM 0 HA LYS A 39 1.732 1.161 6.303 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.038 3.448 8.222 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.251 1.768 8.673 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.384 3.657 7.559 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.343 2.941 9.159 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.576 0.657 8.151 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.592 1.359 6.546 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.789 1.998 6.728 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.548 2.672 8.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.054 0.703 8.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.737 0.510 9.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.732 -0.257 7.794 1.00 0.00 H new ATOM 606 N GLU A 40 -0.901 2.606 5.450 1.00 0.00 N ATOM 607 CA GLU A 40 -2.347 2.486 5.238 1.00 0.00 C ATOM 608 C GLU A 40 -2.668 1.523 4.085 1.00 0.00 C ATOM 609 O GLU A 40 -3.840 1.266 3.798 1.00 0.00 O ATOM 610 CB GLU A 40 -2.957 3.856 4.922 1.00 0.00 C ATOM 611 CG GLU A 40 -3.350 4.562 6.226 1.00 0.00 C ATOM 612 CD GLU A 40 -4.610 3.919 6.802 1.00 0.00 C ATOM 613 OE1 GLU A 40 -5.670 4.108 6.223 1.00 0.00 O ATOM 614 OE2 GLU A 40 -4.498 3.247 7.816 1.00 0.00 O ATOM 0 H GLU A 40 -0.431 3.251 4.814 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.777 2.091 6.158 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.241 4.465 4.370 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.833 3.736 4.284 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.535 4.496 6.946 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.524 5.622 6.039 1.00 0.00 H new ATOM 621 N LEU A 41 -1.627 0.990 3.426 1.00 0.00 N ATOM 622 CA LEU A 41 -1.830 0.058 2.311 1.00 0.00 C ATOM 623 C LEU A 41 -2.558 -1.210 2.775 1.00 0.00 C ATOM 624 O LEU A 41 -3.306 -1.816 2.009 1.00 0.00 O ATOM 625 CB LEU A 41 -0.487 -0.335 1.683 1.00 0.00 C ATOM 626 CG LEU A 41 -0.574 -1.346 0.533 1.00 0.00 C ATOM 627 CD1 LEU A 41 -1.393 -0.750 -0.615 1.00 0.00 C ATOM 628 CD2 LEU A 41 0.836 -1.676 0.036 1.00 0.00 C ATOM 0 H LEU A 41 -0.650 1.186 3.643 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.444 0.567 1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.002 0.567 1.316 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.153 -0.750 2.462 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.058 -2.256 0.888 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.453 -1.470 -1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.397 -0.516 -0.262 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.912 0.161 -0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.775 -2.395 -0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.320 -0.765 -0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.419 -2.103 0.852 1.00 0.00 H new ATOM 640 N GLY A 42 -2.339 -1.601 4.034 1.00 0.00 N ATOM 641 CA GLY A 42 -2.989 -2.796 4.581 1.00 0.00 C ATOM 642 C GLY A 42 -4.517 -2.650 4.619 1.00 0.00 C ATOM 643 O GLY A 42 -5.236 -3.640 4.770 1.00 0.00 O ATOM 0 H GLY A 42 -1.724 -1.115 4.687 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.722 -3.663 3.977 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.617 -2.983 5.588 1.00 0.00 H new ATOM 647 N LYS A 43 -5.007 -1.409 4.484 1.00 0.00 N ATOM 648 CA LYS A 43 -6.448 -1.151 4.508 1.00 0.00 C ATOM 649 C LYS A 43 -7.066 -1.334 3.117 1.00 0.00 C ATOM 650 O LYS A 43 -8.200 -1.802 2.993 1.00 0.00 O ATOM 651 CB LYS A 43 -6.730 0.279 4.987 1.00 0.00 C ATOM 652 CG LYS A 43 -6.073 0.518 6.353 1.00 0.00 C ATOM 653 CD LYS A 43 -6.862 -0.213 7.444 1.00 0.00 C ATOM 654 CE LYS A 43 -5.901 -0.706 8.531 1.00 0.00 C ATOM 655 NZ LYS A 43 -5.433 0.449 9.351 1.00 0.00 N ATOM 0 H LYS A 43 -4.430 -0.577 4.358 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.895 -1.868 5.197 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.347 0.996 4.261 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.805 0.441 5.059 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.042 0.164 6.338 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.040 1.586 6.569 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.606 0.455 7.878 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.403 -1.056 7.013 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.400 -1.437 9.167 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.049 -1.210 8.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.755 0.115 10.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.971 1.148 8.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.247 0.890 9.825 1.00 0.00 H new ATOM 669 N VAL A 44 -6.314 -0.956 2.074 1.00 0.00 N ATOM 670 CA VAL A 44 -6.810 -1.080 0.700 1.00 0.00 C ATOM 671 C VAL A 44 -6.719 -2.527 0.209 1.00 0.00 C ATOM 672 O VAL A 44 -7.551 -2.964 -0.586 1.00 0.00 O ATOM 673 CB VAL A 44 -6.034 -0.165 -0.260 1.00 0.00 C ATOM 674 CG1 VAL A 44 -6.298 1.299 0.101 1.00 0.00 C ATOM 675 CG2 VAL A 44 -4.532 -0.445 -0.166 1.00 0.00 C ATOM 0 H VAL A 44 -5.374 -0.568 2.154 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.856 -0.773 0.710 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.369 -0.362 -1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.747 1.947 -0.581 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.365 1.508 0.017 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.971 1.486 1.124 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.996 0.211 -0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.191 -0.262 0.853 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.338 -1.484 -0.432 1.00 0.00 H new ATOM 685 N MET A 45 -5.711 -3.270 0.689 1.00 0.00 N ATOM 686 CA MET A 45 -5.544 -4.673 0.287 1.00 0.00 C ATOM 687 C MET A 45 -6.777 -5.490 0.672 1.00 0.00 C ATOM 688 O MET A 45 -7.178 -6.403 -0.050 1.00 0.00 O ATOM 689 CB MET A 45 -4.310 -5.310 0.949 1.00 0.00 C ATOM 690 CG MET A 45 -3.066 -4.445 0.712 1.00 0.00 C ATOM 691 SD MET A 45 -2.160 -5.069 -0.724 1.00 0.00 S ATOM 692 CE MET A 45 -3.388 -4.599 -1.963 1.00 0.00 C ATOM 0 H MET A 45 -5.009 -2.929 1.346 1.00 0.00 H new ATOM 0 HA MET A 45 -5.410 -4.680 -0.795 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.482 -5.424 2.019 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.148 -6.309 0.544 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.357 -3.408 0.548 1.00 0.00 H new ATOM 0 HG3 MET A 45 -2.426 -4.461 1.594 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.894 -4.435 -2.921 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.124 -5.396 -2.066 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.887 -3.682 -1.651 1.00 0.00 H new ATOM 702 N ARG A 46 -7.378 -5.145 1.813 1.00 0.00 N ATOM 703 CA ARG A 46 -8.576 -5.848 2.287 1.00 0.00 C ATOM 704 C ARG A 46 -9.762 -5.588 1.354 1.00 0.00 C ATOM 705 O ARG A 46 -10.578 -6.479 1.109 1.00 0.00 O ATOM 706 CB ARG A 46 -8.945 -5.391 3.702 1.00 0.00 C ATOM 707 CG ARG A 46 -8.095 -6.147 4.728 1.00 0.00 C ATOM 708 CD ARG A 46 -8.302 -5.535 6.117 1.00 0.00 C ATOM 709 NE ARG A 46 -9.551 -6.016 6.719 1.00 0.00 N ATOM 710 CZ ARG A 46 -10.092 -5.417 7.790 1.00 0.00 C ATOM 711 NH1 ARG A 46 -9.515 -4.375 8.341 1.00 0.00 N ATOM 712 NH2 ARG A 46 -11.210 -5.878 8.293 1.00 0.00 N ATOM 0 H ARG A 46 -7.060 -4.391 2.422 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.352 -6.915 2.297 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.783 -4.318 3.802 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.004 -5.572 3.888 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.372 -7.201 4.739 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.042 -6.097 4.451 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.461 -5.791 6.761 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.325 -4.448 6.040 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.019 -6.826 6.313 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.644 -4.011 7.955 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.938 -3.929 9.155 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.664 -6.688 7.870 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.627 -5.427 9.107 1.00 0.00 H new ATOM 726 N MET A 47 -9.843 -4.357 0.837 1.00 0.00 N ATOM 727 CA MET A 47 -10.932 -3.981 -0.072 1.00 0.00 C ATOM 728 C MET A 47 -10.678 -4.520 -1.483 1.00 0.00 C ATOM 729 O MET A 47 -11.606 -4.950 -2.170 1.00 0.00 O ATOM 730 CB MET A 47 -11.071 -2.455 -0.144 1.00 0.00 C ATOM 731 CG MET A 47 -11.613 -1.922 1.184 1.00 0.00 C ATOM 732 SD MET A 47 -13.424 -1.974 1.163 1.00 0.00 S ATOM 733 CE MET A 47 -13.707 -0.243 1.610 1.00 0.00 C ATOM 0 H MET A 47 -9.175 -3.611 1.030 1.00 0.00 H new ATOM 0 HA MET A 47 -11.851 -4.416 0.320 1.00 0.00 H new ATOM 0 HB2 MET A 47 -10.104 -2.002 -0.361 1.00 0.00 H new ATOM 0 HB3 MET A 47 -11.741 -2.179 -0.958 1.00 0.00 H new ATOM 0 HG2 MET A 47 -11.231 -2.520 2.011 1.00 0.00 H new ATOM 0 HG3 MET A 47 -11.270 -0.900 1.345 1.00 0.00 H new ATOM 0 HE1 MET A 47 -14.779 -0.050 1.656 1.00 0.00 H new ATOM 0 HE2 MET A 47 -13.260 -0.041 2.583 1.00 0.00 H new ATOM 0 HE3 MET A 47 -13.253 0.405 0.861 1.00 0.00 H new ATOM 743 N LEU A 48 -9.409 -4.489 -1.904 1.00 0.00 N ATOM 744 CA LEU A 48 -9.025 -4.971 -3.232 1.00 0.00 C ATOM 745 C LEU A 48 -9.263 -6.479 -3.361 1.00 0.00 C ATOM 746 O LEU A 48 -9.774 -6.951 -4.378 1.00 0.00 O ATOM 747 CB LEU A 48 -7.546 -4.670 -3.489 1.00 0.00 C ATOM 748 CG LEU A 48 -7.066 -4.883 -4.927 1.00 0.00 C ATOM 749 CD1 LEU A 48 -7.615 -3.771 -5.825 1.00 0.00 C ATOM 750 CD2 LEU A 48 -5.536 -4.853 -4.952 1.00 0.00 C ATOM 0 H LEU A 48 -8.633 -4.136 -1.344 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.642 -4.456 -3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.351 -3.635 -3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.946 -5.297 -2.829 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.422 -5.846 -5.293 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.271 -3.926 -6.848 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.705 -3.789 -5.802 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.261 -2.805 -5.466 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.186 -5.004 -5.973 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.185 -3.888 -4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.146 -5.646 -4.314 1.00 0.00 H new ATOM 762 N GLY A 49 -8.886 -7.225 -2.318 1.00 0.00 N ATOM 763 CA GLY A 49 -9.058 -8.681 -2.317 1.00 0.00 C ATOM 764 C GLY A 49 -7.730 -9.379 -2.042 1.00 0.00 C ATOM 765 O GLY A 49 -7.263 -10.191 -2.844 1.00 0.00 O ATOM 0 H GLY A 49 -8.463 -6.848 -1.470 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.788 -8.966 -1.559 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.454 -9.006 -3.279 1.00 0.00 H new ATOM 769 N GLN A 50 -7.127 -9.048 -0.898 1.00 0.00 N ATOM 770 CA GLN A 50 -5.845 -9.637 -0.509 1.00 0.00 C ATOM 771 C GLN A 50 -5.672 -9.593 1.009 1.00 0.00 C ATOM 772 O GLN A 50 -6.254 -8.743 1.688 1.00 0.00 O ATOM 773 CB GLN A 50 -4.685 -8.875 -1.161 1.00 0.00 C ATOM 774 CG GLN A 50 -4.220 -9.616 -2.418 1.00 0.00 C ATOM 775 CD GLN A 50 -2.718 -9.415 -2.602 1.00 0.00 C ATOM 776 OE1 GLN A 50 -1.941 -10.361 -2.473 1.00 0.00 O ATOM 777 NE2 GLN A 50 -2.258 -8.229 -2.899 1.00 0.00 N ATOM 0 H GLN A 50 -7.504 -8.378 -0.228 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.838 -10.673 -0.846 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.001 -7.864 -1.419 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.858 -8.780 -0.457 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.447 -10.678 -2.332 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.757 -9.245 -3.291 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.901 -7.445 -3.006 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.256 -8.087 -3.024 1.00 0.00 H new ATOM 786 N ASN A 51 -4.861 -10.516 1.531 1.00 0.00 N ATOM 787 CA ASN A 51 -4.611 -10.575 2.970 1.00 0.00 C ATOM 788 C ASN A 51 -3.121 -10.823 3.249 1.00 0.00 C ATOM 789 O ASN A 51 -2.730 -11.903 3.699 1.00 0.00 O ATOM 790 CB ASN A 51 -5.451 -11.689 3.612 1.00 0.00 C ATOM 791 CG ASN A 51 -5.669 -11.380 5.091 1.00 0.00 C ATOM 792 OD1 ASN A 51 -4.780 -11.599 5.915 1.00 0.00 O ATOM 793 ND2 ASN A 51 -6.811 -10.879 5.483 1.00 0.00 N ATOM 0 H ASN A 51 -4.372 -11.225 0.985 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.896 -9.617 3.405 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.411 -11.774 3.103 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.946 -12.649 3.501 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.965 -10.670 6.470 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.549 -10.697 4.802 1.00 0.00 H new ATOM 800 N PRO A 52 -2.276 -9.814 2.987 1.00 0.00 N ATOM 801 CA PRO A 52 -0.819 -9.916 3.215 1.00 0.00 C ATOM 802 C PRO A 52 -0.431 -9.631 4.669 1.00 0.00 C ATOM 803 O PRO A 52 -1.286 -9.564 5.555 1.00 0.00 O ATOM 804 CB PRO A 52 -0.274 -8.827 2.297 1.00 0.00 C ATOM 805 CG PRO A 52 -1.395 -7.817 2.090 1.00 0.00 C ATOM 806 CD PRO A 52 -2.715 -8.512 2.444 1.00 0.00 C ATOM 0 HA PRO A 52 -0.432 -10.915 3.016 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.599 -8.349 2.742 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.045 -9.250 1.344 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.242 -6.941 2.720 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.411 -7.468 1.057 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.286 -7.942 3.177 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.353 -8.635 1.569 1.00 0.00 H new ATOM 814 N THR A 53 0.871 -9.451 4.894 1.00 0.00 N ATOM 815 CA THR A 53 1.384 -9.157 6.232 1.00 0.00 C ATOM 816 C THR A 53 1.911 -7.718 6.270 1.00 0.00 C ATOM 817 O THR A 53 1.974 -7.047 5.236 1.00 0.00 O ATOM 818 CB THR A 53 2.515 -10.136 6.612 1.00 0.00 C ATOM 819 OG1 THR A 53 3.749 -9.688 6.069 1.00 0.00 O ATOM 820 CG2 THR A 53 2.205 -11.533 6.072 1.00 0.00 C ATOM 0 H THR A 53 1.587 -9.503 4.170 1.00 0.00 H new ATOM 0 HA THR A 53 0.573 -9.273 6.951 1.00 0.00 H new ATOM 0 HB THR A 53 2.589 -10.176 7.699 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.462 -10.314 6.316 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.009 -12.216 6.346 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.267 -11.888 6.498 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.118 -11.492 4.986 1.00 0.00 H new ATOM 828 N PRO A 54 2.306 -7.227 7.449 1.00 0.00 N ATOM 829 CA PRO A 54 2.841 -5.858 7.581 1.00 0.00 C ATOM 830 C PRO A 54 4.256 -5.727 7.017 1.00 0.00 C ATOM 831 O PRO A 54 4.665 -4.652 6.579 1.00 0.00 O ATOM 832 CB PRO A 54 2.812 -5.634 9.088 1.00 0.00 C ATOM 833 CG PRO A 54 2.819 -7.008 9.742 1.00 0.00 C ATOM 834 CD PRO A 54 2.263 -7.996 8.713 1.00 0.00 C ATOM 0 HA PRO A 54 2.265 -5.122 7.019 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.675 -5.050 9.408 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.923 -5.074 9.378 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.829 -7.289 10.039 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.209 -7.008 10.646 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.869 -8.900 8.655 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.248 -8.307 8.961 1.00 0.00 H new ATOM 842 N GLU A 55 4.986 -6.845 7.015 1.00 0.00 N ATOM 843 CA GLU A 55 6.347 -6.870 6.482 1.00 0.00 C ATOM 844 C GLU A 55 6.305 -7.047 4.962 1.00 0.00 C ATOM 845 O GLU A 55 7.068 -6.414 4.230 1.00 0.00 O ATOM 846 CB GLU A 55 7.153 -8.022 7.096 1.00 0.00 C ATOM 847 CG GLU A 55 6.945 -8.050 8.613 1.00 0.00 C ATOM 848 CD GLU A 55 7.835 -9.122 9.236 1.00 0.00 C ATOM 849 OE1 GLU A 55 7.390 -10.255 9.322 1.00 0.00 O ATOM 850 OE2 GLU A 55 8.945 -8.794 9.619 1.00 0.00 O ATOM 0 H GLU A 55 4.658 -7.741 7.375 1.00 0.00 H new ATOM 0 HA GLU A 55 6.829 -5.926 6.736 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.840 -8.970 6.659 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.212 -7.900 6.867 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.181 -7.075 9.040 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.899 -8.254 8.842 1.00 0.00 H new ATOM 857 N GLU A 56 5.396 -7.919 4.500 1.00 0.00 N ATOM 858 CA GLU A 56 5.244 -8.186 3.067 1.00 0.00 C ATOM 859 C GLU A 56 4.786 -6.933 2.326 1.00 0.00 C ATOM 860 O GLU A 56 5.429 -6.499 1.368 1.00 0.00 O ATOM 861 CB GLU A 56 4.219 -9.301 2.831 1.00 0.00 C ATOM 862 CG GLU A 56 4.876 -10.666 3.057 1.00 0.00 C ATOM 863 CD GLU A 56 4.067 -11.746 2.345 1.00 0.00 C ATOM 864 OE1 GLU A 56 3.075 -12.185 2.905 1.00 0.00 O ATOM 865 OE2 GLU A 56 4.451 -12.120 1.248 1.00 0.00 O ATOM 0 H GLU A 56 4.759 -8.447 5.097 1.00 0.00 H new ATOM 0 HA GLU A 56 6.217 -8.496 2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.372 -9.178 3.507 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.828 -9.239 1.815 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.899 -10.656 2.680 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.931 -10.882 4.124 1.00 0.00 H new ATOM 872 N LEU A 57 3.665 -6.355 2.777 1.00 0.00 N ATOM 873 CA LEU A 57 3.130 -5.147 2.143 1.00 0.00 C ATOM 874 C LEU A 57 4.125 -3.983 2.250 1.00 0.00 C ATOM 875 O LEU A 57 4.179 -3.126 1.367 1.00 0.00 O ATOM 876 CB LEU A 57 1.778 -4.760 2.775 1.00 0.00 C ATOM 877 CG LEU A 57 1.725 -3.413 3.512 1.00 0.00 C ATOM 878 CD1 LEU A 57 0.268 -2.977 3.668 1.00 0.00 C ATOM 879 CD2 LEU A 57 2.361 -3.554 4.898 1.00 0.00 C ATOM 0 H LEU A 57 3.119 -6.699 3.567 1.00 0.00 H new ATOM 0 HA LEU A 57 2.972 -5.361 1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.025 -4.748 1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.493 -5.544 3.477 1.00 0.00 H new ATOM 0 HG LEU A 57 2.274 -2.667 2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.228 -2.021 4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.188 -2.871 2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.277 -3.727 4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.321 -2.596 5.416 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.816 -4.301 5.474 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.400 -3.865 4.792 1.00 0.00 H new ATOM 891 N GLN A 58 4.912 -3.967 3.334 1.00 0.00 N ATOM 892 CA GLN A 58 5.904 -2.905 3.542 1.00 0.00 C ATOM 893 C GLN A 58 6.903 -2.855 2.388 1.00 0.00 C ATOM 894 O GLN A 58 7.227 -1.779 1.879 1.00 0.00 O ATOM 895 CB GLN A 58 6.676 -3.123 4.850 1.00 0.00 C ATOM 896 CG GLN A 58 6.398 -1.964 5.814 1.00 0.00 C ATOM 897 CD GLN A 58 7.006 -0.678 5.258 1.00 0.00 C ATOM 898 OE1 GLN A 58 8.181 -0.391 5.484 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.267 0.122 4.536 1.00 0.00 N ATOM 0 H GLN A 58 4.882 -4.669 4.073 1.00 0.00 H new ATOM 0 HA GLN A 58 5.359 -1.962 3.593 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.378 -4.067 5.306 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.745 -3.190 4.646 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.324 -1.841 5.950 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.821 -2.184 6.794 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.293 -0.115 4.348 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.664 0.983 4.161 1.00 0.00 H new ATOM 908 N GLU A 59 7.387 -4.033 1.983 1.00 0.00 N ATOM 909 CA GLU A 59 8.354 -4.126 0.886 1.00 0.00 C ATOM 910 C GLU A 59 7.772 -3.551 -0.407 1.00 0.00 C ATOM 911 O GLU A 59 8.472 -2.878 -1.163 1.00 0.00 O ATOM 912 CB GLU A 59 8.755 -5.585 0.644 1.00 0.00 C ATOM 913 CG GLU A 59 9.697 -6.052 1.760 1.00 0.00 C ATOM 914 CD GLU A 59 9.639 -7.573 1.874 1.00 0.00 C ATOM 915 OE1 GLU A 59 8.737 -8.065 2.533 1.00 0.00 O ATOM 916 OE2 GLU A 59 10.498 -8.223 1.301 1.00 0.00 O ATOM 0 H GLU A 59 7.127 -4.929 2.395 1.00 0.00 H new ATOM 0 HA GLU A 59 9.232 -3.548 1.173 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.867 -6.217 0.616 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.246 -5.682 -0.324 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.717 -5.732 1.547 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.410 -5.595 2.707 1.00 0.00 H new ATOM 923 N MET A 60 6.484 -3.823 -0.648 1.00 0.00 N ATOM 924 CA MET A 60 5.813 -3.328 -1.854 1.00 0.00 C ATOM 925 C MET A 60 5.723 -1.801 -1.840 1.00 0.00 C ATOM 926 O MET A 60 6.004 -1.148 -2.844 1.00 0.00 O ATOM 927 CB MET A 60 4.397 -3.908 -1.959 1.00 0.00 C ATOM 928 CG MET A 60 4.466 -5.346 -2.477 1.00 0.00 C ATOM 929 SD MET A 60 2.906 -6.193 -2.115 1.00 0.00 S ATOM 930 CE MET A 60 3.618 -7.711 -1.436 1.00 0.00 C ATOM 0 H MET A 60 5.891 -4.378 -0.030 1.00 0.00 H new ATOM 0 HA MET A 60 6.403 -3.646 -2.713 1.00 0.00 H new ATOM 0 HB2 MET A 60 3.911 -3.886 -0.984 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.793 -3.298 -2.630 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.653 -5.349 -3.551 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.296 -5.874 -2.008 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.871 -8.504 -1.457 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.479 -8.008 -2.034 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.933 -7.537 -0.407 1.00 0.00 H new ATOM 940 N ILE A 61 5.322 -1.247 -0.691 1.00 0.00 N ATOM 941 CA ILE A 61 5.184 0.205 -0.537 1.00 0.00 C ATOM 942 C ILE A 61 6.477 0.930 -0.923 1.00 0.00 C ATOM 943 O ILE A 61 6.532 1.626 -1.935 1.00 0.00 O ATOM 944 CB ILE A 61 4.821 0.539 0.914 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.406 0.037 1.201 1.00 0.00 C ATOM 946 CG2 ILE A 61 4.888 2.049 1.140 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.327 -0.473 2.638 1.00 0.00 C ATOM 0 H ILE A 61 5.087 -1.782 0.145 1.00 0.00 H new ATOM 0 HA ILE A 61 4.391 0.543 -1.204 1.00 0.00 H new ATOM 0 HB ILE A 61 5.530 0.054 1.585 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.686 0.841 1.049 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.144 -0.761 0.506 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.628 2.274 2.174 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.898 2.403 0.934 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.186 2.548 0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.318 -0.831 2.842 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.036 -1.290 2.774 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.571 0.337 3.325 1.00 0.00 H new ATOM 959 N ASP A 62 7.511 0.762 -0.094 1.00 0.00 N ATOM 960 CA ASP A 62 8.807 1.406 -0.341 1.00 0.00 C ATOM 961 C ASP A 62 9.318 1.122 -1.761 1.00 0.00 C ATOM 962 O ASP A 62 9.967 1.973 -2.375 1.00 0.00 O ATOM 963 CB ASP A 62 9.847 0.910 0.669 1.00 0.00 C ATOM 964 CG ASP A 62 9.523 1.463 2.055 1.00 0.00 C ATOM 965 OD1 ASP A 62 8.702 0.866 2.734 1.00 0.00 O ATOM 966 OD2 ASP A 62 10.101 2.475 2.417 1.00 0.00 O ATOM 0 H ASP A 62 7.478 0.189 0.749 1.00 0.00 H new ATOM 0 HA ASP A 62 8.661 2.481 -0.231 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.853 -0.180 0.694 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.844 1.227 0.364 1.00 0.00 H new ATOM 971 N GLU A 63 9.025 -0.080 -2.275 1.00 0.00 N ATOM 972 CA GLU A 63 9.466 -0.462 -3.622 1.00 0.00 C ATOM 973 C GLU A 63 8.820 0.422 -4.694 1.00 0.00 C ATOM 974 O GLU A 63 9.502 0.917 -5.593 1.00 0.00 O ATOM 975 CB GLU A 63 9.112 -1.926 -3.914 1.00 0.00 C ATOM 976 CG GLU A 63 10.322 -2.819 -3.618 1.00 0.00 C ATOM 977 CD GLU A 63 11.214 -2.902 -4.854 1.00 0.00 C ATOM 978 OE1 GLU A 63 12.100 -2.071 -4.979 1.00 0.00 O ATOM 979 OE2 GLU A 63 10.999 -3.795 -5.657 1.00 0.00 O ATOM 0 H GLU A 63 8.491 -0.797 -1.785 1.00 0.00 H new ATOM 0 HA GLU A 63 10.547 -0.329 -3.653 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.263 -2.234 -3.304 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.812 -2.037 -4.956 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.886 -2.416 -2.777 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.989 -3.816 -3.330 1.00 0.00 H new ATOM 986 N VAL A 64 7.499 0.607 -4.597 1.00 0.00 N ATOM 987 CA VAL A 64 6.771 1.423 -5.577 1.00 0.00 C ATOM 988 C VAL A 64 6.946 2.926 -5.325 1.00 0.00 C ATOM 989 O VAL A 64 6.642 3.738 -6.201 1.00 0.00 O ATOM 990 CB VAL A 64 5.271 1.097 -5.561 1.00 0.00 C ATOM 991 CG1 VAL A 64 5.061 -0.402 -5.789 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.661 1.499 -4.213 1.00 0.00 C ATOM 0 H VAL A 64 6.917 0.209 -3.860 1.00 0.00 H new ATOM 0 HA VAL A 64 7.196 1.178 -6.551 1.00 0.00 H new ATOM 0 HB VAL A 64 4.781 1.656 -6.358 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.994 -0.626 -5.776 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.480 -0.685 -6.755 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.559 -0.964 -4.999 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.597 1.264 -4.211 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.155 0.950 -3.412 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.797 2.569 -4.057 1.00 0.00 H new ATOM 1002 N ASP A 65 7.426 3.298 -4.129 1.00 0.00 N ATOM 1003 CA ASP A 65 7.616 4.712 -3.805 1.00 0.00 C ATOM 1004 C ASP A 65 8.800 5.268 -4.600 1.00 0.00 C ATOM 1005 O ASP A 65 9.938 5.300 -4.122 1.00 0.00 O ATOM 1006 CB ASP A 65 7.857 4.903 -2.300 1.00 0.00 C ATOM 1007 CG ASP A 65 7.080 6.124 -1.797 1.00 0.00 C ATOM 1008 OD1 ASP A 65 7.154 7.162 -2.434 1.00 0.00 O ATOM 1009 OD2 ASP A 65 6.418 5.997 -0.780 1.00 0.00 O ATOM 0 H ASP A 65 7.684 2.650 -3.385 1.00 0.00 H new ATOM 0 HA ASP A 65 6.710 5.254 -4.075 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.542 4.012 -1.757 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.922 5.034 -2.107 1.00 0.00 H new ATOM 1014 N GLU A 66 8.510 5.682 -5.835 1.00 0.00 N ATOM 1015 CA GLU A 66 9.537 6.217 -6.736 1.00 0.00 C ATOM 1016 C GLU A 66 10.126 7.531 -6.214 1.00 0.00 C ATOM 1017 O GLU A 66 11.330 7.764 -6.331 1.00 0.00 O ATOM 1018 CB GLU A 66 8.945 6.459 -8.128 1.00 0.00 C ATOM 1019 CG GLU A 66 8.800 5.123 -8.866 1.00 0.00 C ATOM 1020 CD GLU A 66 7.455 5.074 -9.588 1.00 0.00 C ATOM 1021 OE1 GLU A 66 7.384 5.574 -10.699 1.00 0.00 O ATOM 1022 OE2 GLU A 66 6.518 4.532 -9.022 1.00 0.00 O ATOM 0 H GLU A 66 7.572 5.658 -6.236 1.00 0.00 H new ATOM 0 HA GLU A 66 10.335 5.476 -6.789 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.973 6.945 -8.041 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.588 7.131 -8.696 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.612 5.003 -9.583 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.874 4.297 -8.159 1.00 0.00 H new ATOM 1029 N ASP A 67 9.272 8.386 -5.647 1.00 0.00 N ATOM 1030 CA ASP A 67 9.740 9.677 -5.126 1.00 0.00 C ATOM 1031 C ASP A 67 10.258 9.543 -3.690 1.00 0.00 C ATOM 1032 O ASP A 67 11.223 10.208 -3.311 1.00 0.00 O ATOM 1033 CB ASP A 67 8.633 10.750 -5.171 1.00 0.00 C ATOM 1034 CG ASP A 67 7.278 10.161 -4.771 1.00 0.00 C ATOM 1035 OD1 ASP A 67 7.083 9.907 -3.594 1.00 0.00 O ATOM 1036 OD2 ASP A 67 6.449 9.985 -5.650 1.00 0.00 O ATOM 0 H ASP A 67 8.272 8.216 -5.537 1.00 0.00 H new ATOM 0 HA ASP A 67 10.558 9.994 -5.774 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.889 11.570 -4.500 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.569 11.169 -6.175 1.00 0.00 H new ATOM 1041 N GLY A 68 9.608 8.687 -2.896 1.00 0.00 N ATOM 1042 CA GLY A 68 10.012 8.487 -1.503 1.00 0.00 C ATOM 1043 C GLY A 68 9.635 9.706 -0.665 1.00 0.00 C ATOM 1044 O GLY A 68 10.446 10.219 0.108 1.00 0.00 O ATOM 0 H GLY A 68 8.808 8.127 -3.191 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.529 7.597 -1.101 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.087 8.318 -1.449 1.00 0.00 H new ATOM 1048 N SER A 69 8.395 10.170 -0.841 1.00 0.00 N ATOM 1049 CA SER A 69 7.906 11.341 -0.113 1.00 0.00 C ATOM 1050 C SER A 69 7.326 10.941 1.244 1.00 0.00 C ATOM 1051 O SER A 69 7.660 11.527 2.274 1.00 0.00 O ATOM 1052 CB SER A 69 6.827 12.064 -0.928 1.00 0.00 C ATOM 1053 OG SER A 69 5.829 11.132 -1.336 1.00 0.00 O ATOM 0 H SER A 69 7.715 9.754 -1.478 1.00 0.00 H new ATOM 0 HA SER A 69 8.753 12.009 0.047 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.376 12.856 -0.331 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.274 12.539 -1.801 1.00 0.00 H new ATOM 0 HG SER A 69 6.117 10.683 -2.158 1.00 0.00 H new ATOM 1059 N GLY A 70 6.442 9.942 1.224 1.00 0.00 N ATOM 1060 CA GLY A 70 5.798 9.464 2.449 1.00 0.00 C ATOM 1061 C GLY A 70 4.413 8.900 2.136 1.00 0.00 C ATOM 1062 O GLY A 70 3.937 7.982 2.806 1.00 0.00 O ATOM 0 H GLY A 70 6.156 9.450 0.377 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.414 8.695 2.915 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.712 10.281 3.165 1.00 0.00 H new ATOM 1066 N THR A 71 3.777 9.460 1.100 1.00 0.00 N ATOM 1067 CA THR A 71 2.450 9.012 0.682 1.00 0.00 C ATOM 1068 C THR A 71 2.549 8.255 -0.642 1.00 0.00 C ATOM 1069 O THR A 71 3.444 8.512 -1.453 1.00 0.00 O ATOM 1070 CB THR A 71 1.499 10.207 0.509 1.00 0.00 C ATOM 1071 OG1 THR A 71 1.916 11.000 -0.598 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.504 11.058 1.782 1.00 0.00 C ATOM 0 H THR A 71 4.161 10.221 0.540 1.00 0.00 H new ATOM 0 HA THR A 71 2.055 8.354 1.456 1.00 0.00 H new ATOM 0 HB THR A 71 0.490 9.837 0.325 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.408 11.838 -0.610 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.829 11.905 1.656 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.174 10.452 2.626 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.513 11.424 1.971 1.00 0.00 H new ATOM 1080 N VAL A 72 1.622 7.321 -0.853 1.00 0.00 N ATOM 1081 CA VAL A 72 1.619 6.534 -2.086 1.00 0.00 C ATOM 1082 C VAL A 72 0.667 7.149 -3.106 1.00 0.00 C ATOM 1083 O VAL A 72 -0.526 7.314 -2.843 1.00 0.00 O ATOM 1084 CB VAL A 72 1.194 5.088 -1.818 1.00 0.00 C ATOM 1085 CG1 VAL A 72 1.400 4.252 -3.085 1.00 0.00 C ATOM 1086 CG2 VAL A 72 2.041 4.505 -0.683 1.00 0.00 C ATOM 0 H VAL A 72 0.874 7.093 -0.198 1.00 0.00 H new ATOM 0 HA VAL A 72 2.635 6.538 -2.480 1.00 0.00 H new ATOM 0 HB VAL A 72 0.142 5.068 -1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.098 3.222 -2.895 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.797 4.664 -3.894 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.452 4.275 -3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.737 3.476 -0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.093 4.526 -0.966 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.897 5.098 0.220 1.00 0.00 H new ATOM 1096 N ASP A 73 1.210 7.471 -4.278 1.00 0.00 N ATOM 1097 CA ASP A 73 0.409 8.060 -5.351 1.00 0.00 C ATOM 1098 C ASP A 73 -0.273 6.954 -6.156 1.00 0.00 C ATOM 1099 O ASP A 73 0.010 5.770 -5.969 1.00 0.00 O ATOM 1100 CB ASP A 73 1.292 8.887 -6.299 1.00 0.00 C ATOM 1101 CG ASP A 73 2.093 9.927 -5.514 1.00 0.00 C ATOM 1102 OD1 ASP A 73 3.131 9.571 -4.974 1.00 0.00 O ATOM 1103 OD2 ASP A 73 1.663 11.068 -5.472 1.00 0.00 O ATOM 0 H ASP A 73 2.194 7.336 -4.509 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.339 8.711 -4.898 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.972 8.228 -6.840 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.670 9.384 -7.043 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.169 7.353 -7.061 1.00 0.00 N ATOM 1109 CA PHE A 74 -1.882 6.386 -7.902 1.00 0.00 C ATOM 1110 C PHE A 74 -0.898 5.647 -8.814 1.00 0.00 C ATOM 1111 O PHE A 74 -1.079 4.465 -9.106 1.00 0.00 O ATOM 1112 CB PHE A 74 -2.938 7.097 -8.759 1.00 0.00 C ATOM 1113 CG PHE A 74 -3.936 6.097 -9.298 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.369 5.028 -8.502 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.429 6.243 -10.599 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.292 4.107 -9.009 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -5.353 5.322 -11.105 1.00 0.00 C ATOM 1118 CZ PHE A 74 -5.784 4.254 -10.310 1.00 0.00 C ATOM 0 H PHE A 74 -1.417 8.328 -7.230 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.377 5.667 -7.250 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.453 7.850 -8.163 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.455 7.620 -9.584 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.990 4.915 -7.497 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.096 7.067 -11.213 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.625 3.283 -8.396 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.734 5.435 -12.109 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.497 3.543 -10.701 1.00 0.00 H new ATOM 1128 N ASP A 75 0.156 6.354 -9.240 1.00 0.00 N ATOM 1129 CA ASP A 75 1.178 5.755 -10.099 1.00 0.00 C ATOM 1130 C ASP A 75 1.967 4.700 -9.326 1.00 0.00 C ATOM 1131 O ASP A 75 2.286 3.637 -9.858 1.00 0.00 O ATOM 1132 CB ASP A 75 2.145 6.827 -10.608 1.00 0.00 C ATOM 1133 CG ASP A 75 1.620 7.402 -11.919 1.00 0.00 C ATOM 1134 OD1 ASP A 75 0.830 8.330 -11.863 1.00 0.00 O ATOM 1135 OD2 ASP A 75 2.014 6.903 -12.961 1.00 0.00 O ATOM 0 H ASP A 75 0.321 7.333 -9.005 1.00 0.00 H new ATOM 0 HA ASP A 75 0.677 5.288 -10.947 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.250 7.619 -9.867 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.136 6.397 -10.757 1.00 0.00 H new ATOM 1140 N GLU A 76 2.263 5.006 -8.056 1.00 0.00 N ATOM 1141 CA GLU A 76 3.003 4.076 -7.196 1.00 0.00 C ATOM 1142 C GLU A 76 2.085 2.936 -6.738 1.00 0.00 C ATOM 1143 O GLU A 76 2.543 1.841 -6.415 1.00 0.00 O ATOM 1144 CB GLU A 76 3.553 4.793 -5.952 1.00 0.00 C ATOM 1145 CG GLU A 76 4.093 6.180 -6.329 1.00 0.00 C ATOM 1146 CD GLU A 76 4.823 6.798 -5.133 1.00 0.00 C ATOM 1147 OE1 GLU A 76 4.219 6.900 -4.077 1.00 0.00 O ATOM 1148 OE2 GLU A 76 5.975 7.163 -5.291 1.00 0.00 O ATOM 0 H GLU A 76 2.003 5.883 -7.605 1.00 0.00 H new ATOM 0 HA GLU A 76 3.834 3.678 -7.778 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.766 4.893 -5.204 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.347 4.197 -5.502 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.772 6.097 -7.177 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.273 6.827 -6.639 1.00 0.00 H new ATOM 1155 N PHE A 77 0.781 3.216 -6.715 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.213 2.229 -6.300 1.00 0.00 C ATOM 1157 C PHE A 77 -0.446 1.181 -7.400 1.00 0.00 C ATOM 1158 O PHE A 77 -0.661 0.004 -7.107 1.00 0.00 O ATOM 1159 CB PHE A 77 -1.532 2.947 -5.970 1.00 0.00 C ATOM 1160 CG PHE A 77 -2.600 1.951 -5.591 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -2.643 1.425 -4.293 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -3.549 1.557 -6.539 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -3.637 0.504 -3.946 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -4.543 0.636 -6.192 1.00 0.00 C ATOM 1165 CZ PHE A 77 -4.587 0.109 -4.895 1.00 0.00 C ATOM 0 H PHE A 77 0.390 4.120 -6.980 1.00 0.00 H new ATOM 0 HA PHE A 77 0.158 1.710 -5.416 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.375 3.649 -5.151 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.860 3.530 -6.831 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.910 1.730 -3.561 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.515 1.964 -7.539 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.671 0.098 -2.946 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.276 0.331 -6.924 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.354 -0.602 -4.627 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.409 1.619 -8.666 1.00 0.00 N ATOM 1176 CA LEU A 78 -0.629 0.707 -9.796 1.00 0.00 C ATOM 1177 C LEU A 78 0.628 -0.096 -10.137 1.00 0.00 C ATOM 1178 O LEU A 78 0.539 -1.280 -10.471 1.00 0.00 O ATOM 1179 CB LEU A 78 -1.061 1.489 -11.034 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.506 1.988 -11.011 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -2.547 3.443 -11.475 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.362 1.124 -11.942 1.00 0.00 C ATOM 0 H LEU A 78 -0.231 2.588 -8.931 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.414 0.013 -9.495 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.398 2.346 -11.153 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.925 0.856 -11.911 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.899 1.920 -9.997 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.576 3.801 -11.459 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.940 4.055 -10.808 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.154 3.513 -12.489 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.392 1.481 -11.925 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.973 1.188 -12.958 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.331 0.087 -11.607 1.00 0.00 H new ATOM 1194 N VAL A 79 1.799 0.552 -10.055 1.00 0.00 N ATOM 1195 CA VAL A 79 3.063 -0.130 -10.366 1.00 0.00 C ATOM 1196 C VAL A 79 3.242 -1.368 -9.490 1.00 0.00 C ATOM 1197 O VAL A 79 3.887 -2.327 -9.901 1.00 0.00 O ATOM 1198 CB VAL A 79 4.279 0.789 -10.175 1.00 0.00 C ATOM 1199 CG1 VAL A 79 4.297 1.859 -11.270 1.00 0.00 C ATOM 1200 CG2 VAL A 79 4.229 1.459 -8.799 1.00 0.00 C ATOM 0 H VAL A 79 1.897 1.530 -9.781 1.00 0.00 H new ATOM 0 HA VAL A 79 3.007 -0.420 -11.415 1.00 0.00 H new ATOM 0 HB VAL A 79 5.186 0.188 -10.241 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.161 2.508 -11.130 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.358 1.379 -12.247 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.384 2.453 -11.214 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.097 2.107 -8.678 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.319 2.053 -8.716 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.236 0.695 -8.022 1.00 0.00 H new ATOM 1210 N MET A 80 2.656 -1.338 -8.284 1.00 0.00 N ATOM 1211 CA MET A 80 2.740 -2.469 -7.347 1.00 0.00 C ATOM 1212 C MET A 80 2.609 -3.814 -8.074 1.00 0.00 C ATOM 1213 O MET A 80 3.295 -4.781 -7.736 1.00 0.00 O ATOM 1214 CB MET A 80 1.628 -2.371 -6.298 1.00 0.00 C ATOM 1215 CG MET A 80 2.185 -1.768 -5.007 1.00 0.00 C ATOM 1216 SD MET A 80 1.232 -2.376 -3.591 1.00 0.00 S ATOM 1217 CE MET A 80 -0.321 -1.527 -3.973 1.00 0.00 C ATOM 0 H MET A 80 2.119 -0.544 -7.935 1.00 0.00 H new ATOM 0 HA MET A 80 3.718 -2.420 -6.868 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.812 -1.754 -6.676 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.215 -3.360 -6.100 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.236 -2.035 -4.893 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.136 -0.680 -5.051 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.158 -2.203 -3.798 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.423 -0.650 -3.334 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.318 -1.216 -5.018 1.00 0.00 H new ATOM 1227 N MET A 81 1.721 -3.860 -9.076 1.00 0.00 N ATOM 1228 CA MET A 81 1.502 -5.087 -9.850 1.00 0.00 C ATOM 1229 C MET A 81 2.781 -5.515 -10.581 1.00 0.00 C ATOM 1230 O MET A 81 3.319 -6.597 -10.329 1.00 0.00 O ATOM 1231 CB MET A 81 0.380 -4.876 -10.876 1.00 0.00 C ATOM 1232 CG MET A 81 -0.973 -5.187 -10.229 1.00 0.00 C ATOM 1233 SD MET A 81 -1.287 -6.969 -10.313 1.00 0.00 S ATOM 1234 CE MET A 81 -2.075 -7.142 -8.693 1.00 0.00 C ATOM 0 H MET A 81 1.147 -3.068 -9.367 1.00 0.00 H new ATOM 0 HA MET A 81 1.217 -5.873 -9.151 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.393 -3.848 -11.238 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.538 -5.521 -11.740 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.977 -4.855 -9.191 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.767 -4.643 -10.741 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.355 -8.183 -8.534 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.378 -6.831 -7.914 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.967 -6.516 -8.653 1.00 0.00 H new ATOM 1244 N VAL A 82 3.257 -4.658 -11.490 1.00 0.00 N ATOM 1245 CA VAL A 82 4.474 -4.952 -12.267 1.00 0.00 C ATOM 1246 C VAL A 82 5.731 -4.933 -11.388 1.00 0.00 C ATOM 1247 O VAL A 82 6.709 -5.619 -11.687 1.00 0.00 O ATOM 1248 CB VAL A 82 4.657 -3.943 -13.407 1.00 0.00 C ATOM 1249 CG1 VAL A 82 3.515 -4.086 -14.415 1.00 0.00 C ATOM 1250 CG2 VAL A 82 4.664 -2.516 -12.847 1.00 0.00 C ATOM 0 H VAL A 82 2.825 -3.760 -11.708 1.00 0.00 H new ATOM 0 HA VAL A 82 4.344 -5.953 -12.678 1.00 0.00 H new ATOM 0 HB VAL A 82 5.607 -4.141 -13.903 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.650 -3.367 -15.223 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.516 -5.096 -14.825 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.564 -3.897 -13.917 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.794 -1.805 -13.663 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.718 -2.319 -12.342 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.484 -2.408 -12.137 1.00 0.00 H new ATOM 1260 N ARG A 83 5.696 -4.149 -10.303 1.00 0.00 N ATOM 1261 CA ARG A 83 6.839 -4.057 -9.385 1.00 0.00 C ATOM 1262 C ARG A 83 7.140 -5.418 -8.748 1.00 0.00 C ATOM 1263 O ARG A 83 8.247 -5.652 -8.257 1.00 0.00 O ATOM 1264 CB ARG A 83 6.560 -3.043 -8.271 1.00 0.00 C ATOM 1265 CG ARG A 83 6.555 -1.627 -8.853 1.00 0.00 C ATOM 1266 CD ARG A 83 7.938 -0.993 -8.684 1.00 0.00 C ATOM 1267 NE ARG A 83 7.983 0.326 -9.322 1.00 0.00 N ATOM 1268 CZ ARG A 83 9.143 0.943 -9.584 1.00 0.00 C ATOM 1269 NH1 ARG A 83 10.290 0.380 -9.278 1.00 0.00 N ATOM 1270 NH2 ARG A 83 9.133 2.121 -10.155 1.00 0.00 N ATOM 0 H ARG A 83 4.896 -3.574 -10.040 1.00 0.00 H new ATOM 0 HA ARG A 83 7.700 -3.731 -9.969 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.599 -3.258 -7.803 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.319 -3.124 -7.493 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.286 -1.659 -9.909 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.802 -1.020 -8.350 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.173 -0.898 -7.624 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.697 -1.641 -9.122 1.00 0.00 H new ATOM 0 HE ARG A 83 7.108 0.786 -9.573 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.305 -0.539 -8.835 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.165 0.862 -9.483 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.246 2.563 -10.397 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.012 2.597 -10.358 1.00 0.00 H new ATOM 1284 N CYS A 84 6.145 -6.317 -8.773 1.00 0.00 N ATOM 1285 CA CYS A 84 6.312 -7.658 -8.209 1.00 0.00 C ATOM 1286 C CYS A 84 7.279 -8.495 -9.058 1.00 0.00 C ATOM 1287 O CYS A 84 7.758 -9.539 -8.610 1.00 0.00 O ATOM 1288 CB CYS A 84 4.964 -8.379 -8.137 1.00 0.00 C ATOM 1289 SG CYS A 84 4.985 -9.574 -6.776 1.00 0.00 S ATOM 0 H CYS A 84 5.225 -6.139 -9.175 1.00 0.00 H new ATOM 0 HA CYS A 84 6.723 -7.545 -7.206 1.00 0.00 H new ATOM 0 HB2 CYS A 84 4.162 -7.657 -7.988 1.00 0.00 H new ATOM 0 HB3 CYS A 84 4.762 -8.889 -9.079 1.00 0.00 H new ATOM 0 HG CYS A 84 3.838 -10.183 -6.716 1.00 0.00 H new