USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=18 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 49 GLN : amide:sc= -2.21 K(o=-7.2,f=-14!) USER MOD Set 1.2: A 51 HIS : no HD1:sc= -2.5! C(o=-7.2!,f=-11!) USER MOD Set 1.3: A 56 HIS : no HE2:sc= -2.46 K(o=-7.2,f=-9!) USER MOD Set 2.1: A 43 GLN :FLIP amide:sc= -1.72! X(o=-8.8,f=-8.7!) USER MOD Set 2.2: A 64 ASN : amide:sc= -3.54! C(o=-8.7!,f=-8.8!) USER MOD Set 2.3: A 66 HIS : no HD1:sc= -3.42 K(o=-8.7,f=-11!) USER MOD Set 3.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.513 X(o=-0.51,f=-0.08) USER MOD Single : A 23 MET CE :methyl -156:sc= -0.178 (180deg=-0.88) USER MOD Single : A 25 MET CE :methyl -133:sc= -0.164 (180deg=-2.21) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 170:sc= -3.18! USER MOD Single : A 39 GLN :FLIP amide:sc= 0.6 F(o=0,f=0.6) USER MOD Single : A 41 ASN : amide:sc= -0.0698 K(o=-0.07,f=-2.1!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.638 X(o=-0.64,f=-0.54) USER MOD Single : A 58 GLN :FLIP amide:sc= -4.86! C(o=-11!,f=-4.9!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 CYS SG : rot 180:sc= -0.694 USER MOD Single : A 71 GLN : amide:sc= -8.16! C(o=-8.2!,f=-8.6!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -7.82! C(o=-7.8!,f=-7.6!) USER MOD Single : A 85 SER OG : rot -40:sc= -0.0284 USER MOD Single : A 88 LYS NZ :NH3+ 164:sc= -0.0639 (180deg=-0.498) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 108 HIS :FLIP no HD1:sc= -0.127 F(o=-0.75,f=-0.13) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.12) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN : amide:sc= -0.995 K(o=-1,f=-3.3!) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 107 N PRO A 9 -1.579 1.021 14.383 1.00 1.00 N ATOM 108 CA PRO A 9 -0.269 1.731 14.236 1.00 1.00 C ATOM 109 C PRO A 9 -0.387 2.972 13.353 1.00 1.00 C ATOM 110 O PRO A 9 0.305 3.966 13.562 1.00 1.00 O ATOM 111 CB PRO A 9 0.650 0.674 13.596 1.00 1.00 C ATOM 112 CG PRO A 9 -0.272 -0.286 12.912 1.00 1.00 C ATOM 113 CD PRO A 9 -1.553 -0.307 13.744 1.00 1.00 C ATOM 0 HA PRO A 9 0.109 2.102 15.189 1.00 1.00 H new ATOM 0 HB2 PRO A 9 1.340 1.130 12.886 1.00 1.00 H new ATOM 0 HB3 PRO A 9 1.255 0.170 14.350 1.00 1.00 H new ATOM 0 HG2 PRO A 9 -0.476 0.031 11.889 1.00 1.00 H new ATOM 0 HG3 PRO A 9 0.172 -1.280 12.855 1.00 1.00 H new ATOM 0 HD2 PRO A 9 -2.432 -0.468 13.120 1.00 1.00 H new ATOM 0 HD3 PRO A 9 -1.536 -1.107 14.484 1.00 1.00 H new ATOM 121 N LEU A 10 -1.273 2.898 12.372 1.00 1.00 N ATOM 122 CA LEU A 10 -1.489 4.014 11.456 1.00 1.00 C ATOM 123 C LEU A 10 -2.304 5.107 12.154 1.00 1.00 C ATOM 124 O LEU A 10 -3.110 4.807 13.035 1.00 1.00 O ATOM 125 CB LEU A 10 -2.241 3.512 10.211 1.00 1.00 C ATOM 126 CG LEU A 10 -3.551 2.778 10.626 1.00 1.00 C ATOM 127 CD1 LEU A 10 -4.728 3.244 9.759 1.00 1.00 C ATOM 128 CD2 LEU A 10 -3.390 1.261 10.450 1.00 1.00 C ATOM 0 H LEU A 10 -1.854 2.080 12.188 1.00 1.00 H new ATOM 0 HA LEU A 10 -0.528 4.429 11.154 1.00 1.00 H new ATOM 0 HB2 LEU A 10 -2.479 4.352 9.559 1.00 1.00 H new ATOM 0 HB3 LEU A 10 -1.603 2.836 9.641 1.00 1.00 H new ATOM 0 HG LEU A 10 -3.748 3.013 11.672 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -5.634 2.720 10.064 1.00 1.00 H new ATOM 0 HD12 LEU A 10 -4.870 4.317 9.884 1.00 1.00 H new ATOM 0 HD13 LEU A 10 -4.517 3.026 8.712 1.00 1.00 H new ATOM 0 HD21 LEU A 10 -4.313 0.761 10.744 1.00 1.00 H new ATOM 0 HD22 LEU A 10 -3.172 1.037 9.406 1.00 1.00 H new ATOM 0 HD23 LEU A 10 -2.571 0.907 11.076 1.00 1.00 H new ATOM 140 N PRO A 11 -2.125 6.358 11.793 1.00 1.00 N ATOM 141 CA PRO A 11 -2.884 7.479 12.428 1.00 1.00 C ATOM 142 C PRO A 11 -4.390 7.310 12.246 1.00 1.00 C ATOM 143 O PRO A 11 -4.863 6.882 11.193 1.00 1.00 O ATOM 144 CB PRO A 11 -2.354 8.740 11.717 1.00 1.00 C ATOM 145 CG PRO A 11 -1.749 8.240 10.448 1.00 1.00 C ATOM 146 CD PRO A 11 -1.198 6.855 10.765 1.00 1.00 C ATOM 0 HA PRO A 11 -2.739 7.525 13.507 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -3.158 9.449 11.519 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -1.616 9.258 12.329 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -2.493 8.192 9.653 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -0.958 8.906 10.104 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -1.190 6.213 9.884 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -0.174 6.903 11.134 1.00 1.00 H new ATOM 154 N VAL A 12 -5.130 7.639 13.295 1.00 1.00 N ATOM 155 CA VAL A 12 -6.582 7.519 13.279 1.00 1.00 C ATOM 156 C VAL A 12 -7.208 8.522 12.316 1.00 1.00 C ATOM 157 O VAL A 12 -8.121 8.183 11.563 1.00 1.00 O ATOM 158 CB VAL A 12 -7.132 7.732 14.692 1.00 1.00 C ATOM 159 CG1 VAL A 12 -8.661 7.726 14.656 1.00 1.00 C ATOM 160 CG2 VAL A 12 -6.638 6.605 15.607 1.00 1.00 C ATOM 0 H VAL A 12 -4.747 7.993 14.172 1.00 1.00 H new ATOM 0 HA VAL A 12 -6.840 6.518 12.935 1.00 1.00 H new ATOM 0 HB VAL A 12 -6.784 8.692 15.074 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -9.049 7.878 15.663 1.00 1.00 H new ATOM 0 HG12 VAL A 12 -9.013 8.528 14.007 1.00 1.00 H new ATOM 0 HG13 VAL A 12 -9.012 6.768 14.272 1.00 1.00 H new ATOM 0 HG21 VAL A 12 -7.029 6.756 16.613 1.00 1.00 H new ATOM 0 HG22 VAL A 12 -6.985 5.646 15.223 1.00 1.00 H new ATOM 0 HG23 VAL A 12 -5.548 6.611 15.636 1.00 1.00 H new ATOM 170 N GLY A 13 -6.717 9.760 12.355 1.00 1.00 N ATOM 171 CA GLY A 13 -7.237 10.818 11.490 1.00 1.00 C ATOM 172 C GLY A 13 -7.593 10.281 10.107 1.00 1.00 C ATOM 173 O GLY A 13 -8.599 10.676 9.517 1.00 1.00 O ATOM 0 H GLY A 13 -5.962 10.054 12.974 1.00 1.00 H new ATOM 0 HA2 GLY A 13 -8.120 11.263 11.948 1.00 1.00 H new ATOM 0 HA3 GLY A 13 -6.494 11.610 11.394 1.00 1.00 H new ATOM 177 N ALA A 14 -6.767 9.375 9.600 1.00 1.00 N ATOM 178 CA ALA A 14 -7.006 8.784 8.290 1.00 1.00 C ATOM 179 C ALA A 14 -8.152 7.780 8.357 1.00 1.00 C ATOM 180 O ALA A 14 -8.346 7.115 9.373 1.00 1.00 O ATOM 181 CB ALA A 14 -5.741 8.081 7.793 1.00 1.00 C ATOM 0 H ALA A 14 -5.930 9.035 10.073 1.00 1.00 H new ATOM 0 HA ALA A 14 -7.274 9.582 7.597 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -5.930 7.642 6.813 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -4.929 8.804 7.717 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -5.462 7.295 8.495 1.00 1.00 H new ATOM 187 N GLN A 15 -8.896 7.670 7.258 1.00 1.00 N ATOM 188 CA GLN A 15 -10.018 6.731 7.172 1.00 1.00 C ATOM 189 C GLN A 15 -9.543 5.469 6.452 1.00 1.00 C ATOM 190 O GLN A 15 -9.393 5.498 5.239 1.00 1.00 O ATOM 191 CB GLN A 15 -11.158 7.360 6.360 1.00 1.00 C ATOM 192 CG GLN A 15 -11.599 8.678 7.011 1.00 1.00 C ATOM 193 CD GLN A 15 -12.593 8.410 8.140 1.00 1.00 C ATOM 194 OE1 GLN A 15 -12.468 8.977 9.225 1.00 1.00 O ATOM 195 NE2 GLN A 15 -13.580 7.578 7.945 1.00 1.00 N ATOM 0 H GLN A 15 -8.743 8.219 6.412 1.00 1.00 H new ATOM 0 HA GLN A 15 -10.373 6.491 8.174 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -10.830 7.542 5.337 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -12.001 6.671 6.306 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -10.729 9.206 7.402 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -12.056 9.325 6.262 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -13.682 7.109 7.045 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -14.250 7.397 8.693 1.00 1.00 H new ATOM 204 N PRO A 16 -9.265 4.383 7.144 1.00 1.00 N ATOM 205 CA PRO A 16 -8.741 3.148 6.483 1.00 1.00 C ATOM 206 C PRO A 16 -9.807 2.368 5.716 1.00 1.00 C ATOM 207 O PRO A 16 -10.612 1.647 6.306 1.00 1.00 O ATOM 208 CB PRO A 16 -8.188 2.332 7.657 1.00 1.00 C ATOM 209 CG PRO A 16 -9.039 2.722 8.822 1.00 1.00 C ATOM 210 CD PRO A 16 -9.420 4.192 8.602 1.00 1.00 C ATOM 0 HA PRO A 16 -7.998 3.383 5.721 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -8.252 1.262 7.460 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -7.138 2.561 7.839 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -9.928 2.094 8.882 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -8.497 2.597 9.759 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -10.441 4.393 8.925 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -8.770 4.862 9.164 1.00 1.00 H new ATOM 218 N LEU A 17 -9.784 2.504 4.391 1.00 1.00 N ATOM 219 CA LEU A 17 -10.734 1.792 3.543 1.00 1.00 C ATOM 220 C LEU A 17 -10.468 0.295 3.599 1.00 1.00 C ATOM 221 O LEU A 17 -11.396 -0.512 3.654 1.00 1.00 O ATOM 222 CB LEU A 17 -10.607 2.255 2.092 1.00 1.00 C ATOM 223 CG LEU A 17 -10.685 3.780 2.012 1.00 1.00 C ATOM 224 CD1 LEU A 17 -10.595 4.201 0.543 1.00 1.00 C ATOM 225 CD2 LEU A 17 -12.010 4.269 2.615 1.00 1.00 C ATOM 0 H LEU A 17 -9.124 3.095 3.887 1.00 1.00 H new ATOM 0 HA LEU A 17 -11.738 2.005 3.909 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -9.661 1.910 1.675 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -11.401 1.812 1.491 1.00 1.00 H new ATOM 0 HG LEU A 17 -9.862 4.221 2.574 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -10.649 5.287 0.472 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -9.650 3.857 0.123 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -11.422 3.759 -0.013 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -12.058 5.356 2.554 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -12.843 3.837 2.061 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -12.070 3.961 3.659 1.00 1.00 H new ATOM 237 N ALA A 18 -9.188 -0.068 3.567 1.00 1.00 N ATOM 238 CA ALA A 18 -8.791 -1.472 3.596 1.00 1.00 C ATOM 239 C ALA A 18 -7.442 -1.625 4.290 1.00 1.00 C ATOM 240 O ALA A 18 -6.645 -0.688 4.328 1.00 1.00 O ATOM 241 CB ALA A 18 -8.693 -2.010 2.165 1.00 1.00 C ATOM 0 H ALA A 18 -8.410 0.590 3.521 1.00 1.00 H new ATOM 0 HA ALA A 18 -9.541 -2.038 4.149 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -8.396 -3.059 2.190 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -9.662 -1.919 1.675 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -7.951 -1.436 1.611 1.00 1.00 H new ATOM 247 N THR A 19 -7.190 -2.813 4.838 1.00 1.00 N ATOM 248 CA THR A 19 -5.925 -3.078 5.527 1.00 1.00 C ATOM 249 C THR A 19 -5.470 -4.509 5.271 1.00 1.00 C ATOM 250 O THR A 19 -6.247 -5.453 5.413 1.00 1.00 O ATOM 251 CB THR A 19 -6.086 -2.833 7.027 1.00 1.00 C ATOM 252 OG1 THR A 19 -4.943 -3.328 7.710 1.00 1.00 O ATOM 253 CG2 THR A 19 -7.340 -3.542 7.539 1.00 1.00 C ATOM 0 H THR A 19 -7.837 -3.601 4.820 1.00 1.00 H new ATOM 0 HA THR A 19 -5.165 -2.400 5.138 1.00 1.00 H new ATOM 0 HB THR A 19 -6.185 -1.763 7.209 1.00 1.00 H new ATOM 0 HG1 THR A 19 -5.043 -3.171 8.672 1.00 1.00 H new ATOM 0 HG21 THR A 19 -7.448 -3.363 8.609 1.00 1.00 H new ATOM 0 HG22 THR A 19 -8.215 -3.156 7.016 1.00 1.00 H new ATOM 0 HG23 THR A 19 -7.252 -4.613 7.358 1.00 1.00 H new ATOM 261 N VAL A 20 -4.207 -4.661 4.879 1.00 1.00 N ATOM 262 CA VAL A 20 -3.655 -5.983 4.588 1.00 1.00 C ATOM 263 C VAL A 20 -2.218 -6.087 5.082 1.00 1.00 C ATOM 264 O VAL A 20 -1.536 -5.080 5.260 1.00 1.00 O ATOM 265 CB VAL A 20 -3.698 -6.227 3.071 1.00 1.00 C ATOM 266 CG1 VAL A 20 -2.868 -7.467 2.706 1.00 1.00 C ATOM 267 CG2 VAL A 20 -5.152 -6.425 2.624 1.00 1.00 C ATOM 0 H VAL A 20 -3.550 -3.891 4.756 1.00 1.00 H new ATOM 0 HA VAL A 20 -4.252 -6.735 5.103 1.00 1.00 H new ATOM 0 HB VAL A 20 -3.275 -5.361 2.561 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -2.908 -7.627 1.629 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -1.833 -7.315 3.012 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -3.273 -8.340 3.218 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -5.182 -6.598 1.548 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -5.578 -7.285 3.142 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -5.731 -5.533 2.864 1.00 1.00 H new ATOM 277 N GLU A 21 -1.759 -7.322 5.273 1.00 1.00 N ATOM 278 CA GLU A 21 -0.391 -7.569 5.713 1.00 1.00 C ATOM 279 C GLU A 21 0.433 -8.060 4.528 1.00 1.00 C ATOM 280 O GLU A 21 0.107 -9.079 3.920 1.00 1.00 O ATOM 281 CB GLU A 21 -0.375 -8.628 6.815 1.00 1.00 C ATOM 282 CG GLU A 21 1.056 -8.806 7.328 1.00 1.00 C ATOM 283 CD GLU A 21 1.082 -9.808 8.478 1.00 1.00 C ATOM 284 OE1 GLU A 21 0.085 -10.482 8.673 1.00 1.00 O ATOM 285 OE2 GLU A 21 2.099 -9.884 9.147 1.00 1.00 O ATOM 0 H GLU A 21 -2.315 -8.165 5.130 1.00 1.00 H new ATOM 0 HA GLU A 21 0.033 -6.644 6.105 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -1.031 -8.328 7.632 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -0.756 -9.574 6.431 1.00 1.00 H new ATOM 0 HG2 GLU A 21 1.700 -9.152 6.519 1.00 1.00 H new ATOM 0 HG3 GLU A 21 1.452 -7.847 7.662 1.00 1.00 H new ATOM 292 N GLY A 22 1.498 -7.331 4.200 1.00 1.00 N ATOM 293 CA GLY A 22 2.364 -7.696 3.078 1.00 1.00 C ATOM 294 C GLY A 22 3.807 -7.855 3.537 1.00 1.00 C ATOM 295 O GLY A 22 4.092 -7.878 4.733 1.00 1.00 O ATOM 0 H GLY A 22 1.783 -6.485 4.694 1.00 1.00 H new ATOM 0 HA2 GLY A 22 2.015 -8.627 2.632 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.306 -6.930 2.304 1.00 1.00 H new ATOM 299 N MET A 23 4.715 -7.972 2.572 1.00 1.00 N ATOM 300 CA MET A 23 6.134 -8.136 2.865 1.00 1.00 C ATOM 301 C MET A 23 6.964 -7.259 1.935 1.00 1.00 C ATOM 302 O MET A 23 7.181 -7.600 0.771 1.00 1.00 O ATOM 303 CB MET A 23 6.521 -9.602 2.673 1.00 1.00 C ATOM 304 CG MET A 23 5.574 -10.486 3.488 1.00 1.00 C ATOM 305 SD MET A 23 5.684 -10.060 5.246 1.00 1.00 S ATOM 306 CE MET A 23 7.344 -10.710 5.549 1.00 1.00 C ATOM 0 H MET A 23 4.491 -7.956 1.577 1.00 1.00 H new ATOM 0 HA MET A 23 6.327 -7.838 3.895 1.00 1.00 H new ATOM 0 HB2 MET A 23 6.468 -9.869 1.617 1.00 1.00 H new ATOM 0 HB3 MET A 23 7.551 -9.763 2.991 1.00 1.00 H new ATOM 0 HG2 MET A 23 4.550 -10.356 3.137 1.00 1.00 H new ATOM 0 HG3 MET A 23 5.829 -11.536 3.343 1.00 1.00 H new ATOM 0 HE1 MET A 23 7.455 -10.944 6.608 1.00 1.00 H new ATOM 0 HE2 MET A 23 7.494 -11.615 4.960 1.00 1.00 H new ATOM 0 HE3 MET A 23 8.085 -9.964 5.262 1.00 1.00 H new ATOM 316 N GLU A 24 7.420 -6.128 2.458 1.00 1.00 N ATOM 317 CA GLU A 24 8.222 -5.200 1.673 1.00 1.00 C ATOM 318 C GLU A 24 9.511 -5.868 1.204 1.00 1.00 C ATOM 319 O GLU A 24 10.244 -6.452 2.000 1.00 1.00 O ATOM 320 CB GLU A 24 8.545 -3.967 2.521 1.00 1.00 C ATOM 321 CG GLU A 24 9.351 -2.963 1.694 1.00 1.00 C ATOM 322 CD GLU A 24 9.609 -1.703 2.515 1.00 1.00 C ATOM 323 OE1 GLU A 24 9.388 -1.745 3.715 1.00 1.00 O ATOM 324 OE2 GLU A 24 10.024 -0.714 1.933 1.00 1.00 O ATOM 0 H GLU A 24 7.249 -5.832 3.419 1.00 1.00 H new ATOM 0 HA GLU A 24 7.656 -4.898 0.792 1.00 1.00 H new ATOM 0 HB2 GLU A 24 7.623 -3.505 2.872 1.00 1.00 H new ATOM 0 HB3 GLU A 24 9.111 -4.261 3.405 1.00 1.00 H new ATOM 0 HG2 GLU A 24 10.298 -3.408 1.387 1.00 1.00 H new ATOM 0 HG3 GLU A 24 8.808 -2.710 0.783 1.00 1.00 H new ATOM 331 N MET A 25 9.783 -5.777 -0.104 1.00 1.00 N ATOM 332 CA MET A 25 10.991 -6.380 -0.679 1.00 1.00 C ATOM 333 C MET A 25 12.012 -5.299 -1.019 1.00 1.00 C ATOM 334 O MET A 25 11.665 -4.263 -1.588 1.00 1.00 O ATOM 335 CB MET A 25 10.639 -7.150 -1.960 1.00 1.00 C ATOM 336 CG MET A 25 9.721 -8.325 -1.635 1.00 1.00 C ATOM 337 SD MET A 25 9.433 -9.304 -3.133 1.00 1.00 S ATOM 338 CE MET A 25 8.426 -8.100 -4.039 1.00 1.00 C ATOM 0 H MET A 25 9.188 -5.296 -0.779 1.00 1.00 H new ATOM 0 HA MET A 25 11.415 -7.064 0.057 1.00 1.00 H new ATOM 0 HB2 MET A 25 10.150 -6.483 -2.671 1.00 1.00 H new ATOM 0 HB3 MET A 25 11.550 -7.512 -2.437 1.00 1.00 H new ATOM 0 HG2 MET A 25 10.171 -8.948 -0.862 1.00 1.00 H new ATOM 0 HG3 MET A 25 8.773 -7.960 -1.239 1.00 1.00 H new ATOM 0 HE1 MET A 25 7.546 -8.596 -4.447 1.00 1.00 H new ATOM 0 HE2 MET A 25 8.113 -7.305 -3.362 1.00 1.00 H new ATOM 0 HE3 MET A 25 9.013 -7.674 -4.853 1.00 1.00 H new ATOM 348 N LYS A 26 13.276 -5.554 -0.687 1.00 1.00 N ATOM 349 CA LYS A 26 14.354 -4.608 -0.982 1.00 1.00 C ATOM 350 C LYS A 26 15.554 -5.357 -1.546 1.00 1.00 C ATOM 351 O LYS A 26 15.760 -6.534 -1.254 1.00 1.00 O ATOM 352 CB LYS A 26 14.774 -3.835 0.272 1.00 1.00 C ATOM 353 CG LYS A 26 13.630 -2.936 0.733 1.00 1.00 C ATOM 354 CD LYS A 26 14.074 -2.146 1.967 1.00 1.00 C ATOM 355 CE LYS A 26 12.938 -1.235 2.432 1.00 1.00 C ATOM 356 NZ LYS A 26 13.481 -0.207 3.364 1.00 1.00 N ATOM 0 H LYS A 26 13.580 -6.405 -0.215 1.00 1.00 H new ATOM 0 HA LYS A 26 13.985 -3.892 -1.717 1.00 1.00 H new ATOM 0 HB2 LYS A 26 15.044 -4.531 1.066 1.00 1.00 H new ATOM 0 HB3 LYS A 26 15.658 -3.234 0.061 1.00 1.00 H new ATOM 0 HG2 LYS A 26 13.344 -2.253 -0.067 1.00 1.00 H new ATOM 0 HG3 LYS A 26 12.752 -3.537 0.968 1.00 1.00 H new ATOM 0 HD2 LYS A 26 14.355 -2.831 2.767 1.00 1.00 H new ATOM 0 HD3 LYS A 26 14.957 -1.551 1.732 1.00 1.00 H new ATOM 0 HE2 LYS A 26 12.469 -0.753 1.574 1.00 1.00 H new ATOM 0 HE3 LYS A 26 12.166 -1.822 2.930 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 12.710 0.415 3.682 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 13.910 -0.676 4.187 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 14.203 0.359 2.874 1.00 1.00 H new ATOM 370 N GLY A 27 16.332 -4.664 -2.365 1.00 1.00 N ATOM 371 CA GLY A 27 17.513 -5.255 -2.988 1.00 1.00 C ATOM 372 C GLY A 27 18.231 -6.245 -2.067 1.00 1.00 C ATOM 373 O GLY A 27 18.267 -7.445 -2.342 1.00 1.00 O ATOM 0 H GLY A 27 16.168 -3.689 -2.616 1.00 1.00 H new ATOM 0 HA2 GLY A 27 17.219 -5.765 -3.905 1.00 1.00 H new ATOM 0 HA3 GLY A 27 18.205 -4.462 -3.273 1.00 1.00 H new ATOM 377 N PRO A 28 18.826 -5.760 -1.007 1.00 1.00 N ATOM 378 CA PRO A 28 19.598 -6.614 -0.044 1.00 1.00 C ATOM 379 C PRO A 28 18.746 -7.701 0.633 1.00 1.00 C ATOM 380 O PRO A 28 19.249 -8.783 0.935 1.00 1.00 O ATOM 381 CB PRO A 28 20.154 -5.598 0.977 1.00 1.00 C ATOM 382 CG PRO A 28 19.274 -4.394 0.855 1.00 1.00 C ATOM 383 CD PRO A 28 18.827 -4.347 -0.603 1.00 1.00 C ATOM 0 HA PRO A 28 20.376 -7.186 -0.549 1.00 1.00 H new ATOM 0 HB2 PRO A 28 20.128 -6.003 1.989 1.00 1.00 H new ATOM 0 HB3 PRO A 28 21.193 -5.350 0.759 1.00 1.00 H new ATOM 0 HG2 PRO A 28 18.417 -4.468 1.524 1.00 1.00 H new ATOM 0 HG3 PRO A 28 19.814 -3.487 1.127 1.00 1.00 H new ATOM 0 HD2 PRO A 28 17.838 -3.899 -0.706 1.00 1.00 H new ATOM 0 HD3 PRO A 28 19.510 -3.755 -1.213 1.00 1.00 H new ATOM 391 N LEU A 29 17.465 -7.417 0.865 1.00 1.00 N ATOM 392 CA LEU A 29 16.574 -8.396 1.503 1.00 1.00 C ATOM 393 C LEU A 29 15.169 -7.820 1.646 1.00 1.00 C ATOM 394 O LEU A 29 14.859 -6.796 1.051 1.00 1.00 O ATOM 395 CB LEU A 29 17.115 -8.804 2.887 1.00 1.00 C ATOM 396 CG LEU A 29 17.603 -7.579 3.676 1.00 1.00 C ATOM 397 CD1 LEU A 29 16.437 -6.618 3.955 1.00 1.00 C ATOM 398 CD2 LEU A 29 18.199 -8.058 5.005 1.00 1.00 C ATOM 0 H LEU A 29 17.021 -6.530 0.626 1.00 1.00 H new ATOM 0 HA LEU A 29 16.533 -9.282 0.869 1.00 1.00 H new ATOM 0 HB2 LEU A 29 16.334 -9.315 3.450 1.00 1.00 H new ATOM 0 HB3 LEU A 29 17.935 -9.512 2.766 1.00 1.00 H new ATOM 0 HG LEU A 29 18.355 -7.050 3.091 1.00 1.00 H new ATOM 0 HD11 LEU A 29 16.801 -5.757 4.515 1.00 1.00 H new ATOM 0 HD12 LEU A 29 16.008 -6.282 3.011 1.00 1.00 H new ATOM 0 HD13 LEU A 29 15.673 -7.132 4.538 1.00 1.00 H new ATOM 0 HD21 LEU A 29 18.550 -7.199 5.577 1.00 1.00 H new ATOM 0 HD22 LEU A 29 17.436 -8.587 5.576 1.00 1.00 H new ATOM 0 HD23 LEU A 29 19.035 -8.729 4.808 1.00 1.00 H new ATOM 410 N ARG A 30 14.320 -8.479 2.440 1.00 1.00 N ATOM 411 CA ARG A 30 12.949 -8.004 2.657 1.00 1.00 C ATOM 412 C ARG A 30 12.700 -7.777 4.142 1.00 1.00 C ATOM 413 O ARG A 30 13.502 -8.178 4.986 1.00 1.00 O ATOM 414 CB ARG A 30 11.941 -9.015 2.117 1.00 1.00 C ATOM 415 CG ARG A 30 12.153 -10.377 2.775 1.00 1.00 C ATOM 416 CD ARG A 30 11.023 -11.301 2.345 1.00 1.00 C ATOM 417 NE ARG A 30 11.058 -11.503 0.901 1.00 1.00 N ATOM 418 CZ ARG A 30 10.073 -12.131 0.265 1.00 1.00 C ATOM 419 NH1 ARG A 30 9.071 -12.632 0.938 1.00 1.00 N ATOM 420 NH2 ARG A 30 10.111 -12.255 -1.034 1.00 1.00 N ATOM 0 H ARG A 30 14.555 -9.337 2.940 1.00 1.00 H new ATOM 0 HA ARG A 30 12.824 -7.061 2.124 1.00 1.00 H new ATOM 0 HB2 ARG A 30 10.927 -8.665 2.308 1.00 1.00 H new ATOM 0 HB3 ARG A 30 12.049 -9.105 1.036 1.00 1.00 H new ATOM 0 HG2 ARG A 30 13.116 -10.794 2.481 1.00 1.00 H new ATOM 0 HG3 ARG A 30 12.167 -10.275 3.860 1.00 1.00 H new ATOM 0 HD2 ARG A 30 11.113 -12.260 2.856 1.00 1.00 H new ATOM 0 HD3 ARG A 30 10.064 -10.874 2.636 1.00 1.00 H new ATOM 0 HE ARG A 30 11.855 -11.155 0.368 1.00 1.00 H new ATOM 0 HH11 ARG A 30 9.043 -12.542 1.954 1.00 1.00 H new ATOM 0 HH12 ARG A 30 8.317 -13.113 0.448 1.00 1.00 H new ATOM 0 HH21 ARG A 30 10.896 -11.870 -1.560 1.00 1.00 H new ATOM 0 HH22 ARG A 30 9.356 -12.736 -1.523 1.00 1.00 H new ATOM 434 N GLU A 31 11.585 -7.126 4.451 1.00 1.00 N ATOM 435 CA GLU A 31 11.224 -6.835 5.839 1.00 1.00 C ATOM 436 C GLU A 31 9.699 -6.886 5.997 1.00 1.00 C ATOM 437 O GLU A 31 8.987 -6.391 5.124 1.00 1.00 O ATOM 438 CB GLU A 31 11.730 -5.439 6.220 1.00 1.00 C ATOM 439 CG GLU A 31 11.154 -4.403 5.251 1.00 1.00 C ATOM 440 CD GLU A 31 11.923 -3.090 5.369 1.00 1.00 C ATOM 441 OE1 GLU A 31 13.117 -3.145 5.608 1.00 1.00 O ATOM 442 OE2 GLU A 31 11.304 -2.050 5.213 1.00 1.00 O ATOM 0 H GLU A 31 10.913 -6.788 3.762 1.00 1.00 H new ATOM 0 HA GLU A 31 11.681 -7.578 6.493 1.00 1.00 H new ATOM 0 HB2 GLU A 31 11.435 -5.200 7.242 1.00 1.00 H new ATOM 0 HB3 GLU A 31 12.819 -5.415 6.189 1.00 1.00 H new ATOM 0 HG2 GLU A 31 11.213 -4.777 4.229 1.00 1.00 H new ATOM 0 HG3 GLU A 31 10.099 -4.237 5.469 1.00 1.00 H new ATOM 449 N PRO A 32 9.160 -7.451 7.064 1.00 1.00 N ATOM 450 CA PRO A 32 7.675 -7.501 7.237 1.00 1.00 C ATOM 451 C PRO A 32 7.053 -6.107 7.132 1.00 1.00 C ATOM 452 O PRO A 32 7.608 -5.131 7.635 1.00 1.00 O ATOM 453 CB PRO A 32 7.475 -8.091 8.645 1.00 1.00 C ATOM 454 CG PRO A 32 8.743 -8.822 8.954 1.00 1.00 C ATOM 455 CD PRO A 32 9.860 -8.097 8.197 1.00 1.00 C ATOM 0 HA PRO A 32 7.191 -8.096 6.463 1.00 1.00 H new ATOM 0 HB2 PRO A 32 7.286 -7.306 9.377 1.00 1.00 H new ATOM 0 HB3 PRO A 32 6.618 -8.764 8.671 1.00 1.00 H new ATOM 0 HG2 PRO A 32 8.939 -8.823 10.026 1.00 1.00 H new ATOM 0 HG3 PRO A 32 8.676 -9.864 8.641 1.00 1.00 H new ATOM 0 HD2 PRO A 32 10.360 -7.363 8.829 1.00 1.00 H new ATOM 0 HD3 PRO A 32 10.624 -8.792 7.850 1.00 1.00 H new ATOM 463 N CYS A 33 5.906 -6.025 6.468 1.00 1.00 N ATOM 464 CA CYS A 33 5.218 -4.752 6.295 1.00 1.00 C ATOM 465 C CYS A 33 3.723 -4.979 6.114 1.00 1.00 C ATOM 466 O CYS A 33 3.261 -6.117 6.075 1.00 1.00 O ATOM 467 CB CYS A 33 5.776 -4.033 5.065 1.00 1.00 C ATOM 468 SG CYS A 33 5.211 -4.873 3.563 1.00 1.00 S ATOM 0 H CYS A 33 5.434 -6.823 6.042 1.00 1.00 H new ATOM 0 HA CYS A 33 5.378 -4.141 7.184 1.00 1.00 H new ATOM 0 HB2 CYS A 33 5.447 -2.994 5.058 1.00 1.00 H new ATOM 0 HB3 CYS A 33 6.865 -4.023 5.100 1.00 1.00 H new ATOM 0 HG CYS A 33 5.503 -4.148 2.524 1.00 1.00 H new ATOM 474 N ALA A 34 2.969 -3.888 5.993 1.00 1.00 N ATOM 475 CA ALA A 34 1.524 -3.983 5.802 1.00 1.00 C ATOM 476 C ALA A 34 1.033 -2.829 4.942 1.00 1.00 C ATOM 477 O ALA A 34 1.472 -1.696 5.099 1.00 1.00 O ATOM 478 CB ALA A 34 0.807 -3.975 7.159 1.00 1.00 C ATOM 0 H ALA A 34 3.332 -2.935 6.024 1.00 1.00 H new ATOM 0 HA ALA A 34 1.299 -4.921 5.294 1.00 1.00 H new ATOM 0 HB1 ALA A 34 -0.269 -4.046 7.002 1.00 1.00 H new ATOM 0 HB2 ALA A 34 1.144 -4.824 7.754 1.00 1.00 H new ATOM 0 HB3 ALA A 34 1.036 -3.049 7.686 1.00 1.00 H new ATOM 484 N LEU A 35 0.121 -3.128 4.026 1.00 1.00 N ATOM 485 CA LEU A 35 -0.426 -2.108 3.132 1.00 1.00 C ATOM 486 C LEU A 35 -1.814 -1.696 3.600 1.00 1.00 C ATOM 487 O LEU A 35 -2.717 -2.528 3.689 1.00 1.00 O ATOM 488 CB LEU A 35 -0.507 -2.663 1.709 1.00 1.00 C ATOM 489 CG LEU A 35 0.905 -2.960 1.171 1.00 1.00 C ATOM 490 CD1 LEU A 35 1.513 -4.188 1.882 1.00 1.00 C ATOM 491 CD2 LEU A 35 0.819 -3.212 -0.346 1.00 1.00 C ATOM 0 H LEU A 35 -0.256 -4.064 3.880 1.00 1.00 H new ATOM 0 HA LEU A 35 0.227 -1.236 3.145 1.00 1.00 H new ATOM 0 HB2 LEU A 35 -1.106 -3.574 1.700 1.00 1.00 H new ATOM 0 HB3 LEU A 35 -1.008 -1.945 1.059 1.00 1.00 H new ATOM 0 HG LEU A 35 1.551 -2.104 1.366 1.00 1.00 H new ATOM 0 HD11 LEU A 35 2.510 -4.380 1.487 1.00 1.00 H new ATOM 0 HD12 LEU A 35 1.578 -3.993 2.953 1.00 1.00 H new ATOM 0 HD13 LEU A 35 0.880 -5.059 1.709 1.00 1.00 H new ATOM 0 HD21 LEU A 35 1.814 -3.423 -0.737 1.00 1.00 H new ATOM 0 HD22 LEU A 35 0.166 -4.064 -0.537 1.00 1.00 H new ATOM 0 HD23 LEU A 35 0.416 -2.328 -0.839 1.00 1.00 H new ATOM 503 N THR A 36 -1.982 -0.405 3.906 1.00 1.00 N ATOM 504 CA THR A 36 -3.270 0.107 4.372 1.00 1.00 C ATOM 505 C THR A 36 -3.719 1.300 3.546 1.00 1.00 C ATOM 506 O THR A 36 -3.121 2.375 3.598 1.00 1.00 O ATOM 507 CB THR A 36 -3.159 0.507 5.846 1.00 1.00 C ATOM 508 OG1 THR A 36 -2.850 -0.647 6.619 1.00 1.00 O ATOM 509 CG2 THR A 36 -4.484 1.101 6.326 1.00 1.00 C ATOM 0 H THR A 36 -1.246 0.298 3.839 1.00 1.00 H new ATOM 0 HA THR A 36 -4.014 -0.681 4.259 1.00 1.00 H new ATOM 0 HB THR A 36 -2.372 1.253 5.961 1.00 1.00 H new ATOM 0 HG1 THR A 36 -2.776 -0.398 7.564 1.00 1.00 H new ATOM 0 HG21 THR A 36 -4.397 1.383 7.375 1.00 1.00 H new ATOM 0 HG22 THR A 36 -4.724 1.983 5.732 1.00 1.00 H new ATOM 0 HG23 THR A 36 -5.276 0.361 6.214 1.00 1.00 H new ATOM 517 N LEU A 37 -4.802 1.103 2.800 1.00 1.00 N ATOM 518 CA LEU A 37 -5.365 2.162 1.976 1.00 1.00 C ATOM 519 C LEU A 37 -6.320 2.986 2.817 1.00 1.00 C ATOM 520 O LEU A 37 -7.214 2.438 3.462 1.00 1.00 O ATOM 521 CB LEU A 37 -6.106 1.553 0.780 1.00 1.00 C ATOM 522 CG LEU A 37 -6.796 2.651 -0.047 1.00 1.00 C ATOM 523 CD1 LEU A 37 -5.766 3.701 -0.496 1.00 1.00 C ATOM 524 CD2 LEU A 37 -7.472 2.015 -1.276 1.00 1.00 C ATOM 0 H LEU A 37 -5.306 0.218 2.751 1.00 1.00 H new ATOM 0 HA LEU A 37 -4.566 2.802 1.601 1.00 1.00 H new ATOM 0 HB2 LEU A 37 -5.404 1.004 0.152 1.00 1.00 H new ATOM 0 HB3 LEU A 37 -6.847 0.835 1.132 1.00 1.00 H new ATOM 0 HG LEU A 37 -7.550 3.144 0.566 1.00 1.00 H new ATOM 0 HD11 LEU A 37 -6.265 4.474 -1.081 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -5.301 4.153 0.380 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -5.000 3.222 -1.106 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -7.962 2.791 -1.864 1.00 1.00 H new ATOM 0 HD22 LEU A 37 -6.720 1.517 -1.888 1.00 1.00 H new ATOM 0 HD23 LEU A 37 -8.213 1.287 -0.947 1.00 1.00 H new ATOM 536 N ALA A 38 -6.127 4.302 2.825 1.00 1.00 N ATOM 537 CA ALA A 38 -6.987 5.173 3.620 1.00 1.00 C ATOM 538 C ALA A 38 -7.303 6.469 2.883 1.00 1.00 C ATOM 539 O ALA A 38 -6.564 6.893 1.995 1.00 1.00 O ATOM 540 CB ALA A 38 -6.314 5.489 4.959 1.00 1.00 C ATOM 0 H ALA A 38 -5.396 4.782 2.300 1.00 1.00 H new ATOM 0 HA ALA A 38 -7.926 4.647 3.796 1.00 1.00 H new ATOM 0 HB1 ALA A 38 -6.961 6.139 5.547 1.00 1.00 H new ATOM 0 HB2 ALA A 38 -6.138 4.562 5.505 1.00 1.00 H new ATOM 0 HB3 ALA A 38 -5.363 5.990 4.779 1.00 1.00 H new ATOM 546 N GLN A 39 -8.417 7.087 3.270 1.00 1.00 N ATOM 547 CA GLN A 39 -8.865 8.344 2.670 1.00 1.00 C ATOM 548 C GLN A 39 -8.800 9.460 3.710 1.00 1.00 C ATOM 549 O GLN A 39 -9.417 9.358 4.769 1.00 1.00 O ATOM 550 CB GLN A 39 -10.309 8.189 2.179 1.00 1.00 C ATOM 551 CG GLN A 39 -10.744 9.446 1.419 1.00 1.00 C ATOM 552 CD GLN A 39 -12.215 9.329 1.026 1.00 1.00 C ATOM 553 OE1 GLN A 39 -13.122 9.936 1.743 1.00 1.00 O flip ATOM 554 NE2 GLN A 39 -12.547 8.664 0.045 1.00 1.00 N flip ATOM 0 H GLN A 39 -9.032 6.734 4.003 1.00 1.00 H new ATOM 0 HA GLN A 39 -8.218 8.594 1.829 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -10.389 7.316 1.531 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -10.973 8.019 3.026 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -10.593 10.329 2.041 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -10.129 9.575 0.528 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -11.837 8.190 -0.514 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -13.532 8.586 -0.209 1.00 1.00 H new ATOM 563 N ARG A 40 -8.052 10.522 3.409 1.00 1.00 N ATOM 564 CA ARG A 40 -7.921 11.645 4.343 1.00 1.00 C ATOM 565 C ARG A 40 -8.108 12.977 3.623 1.00 1.00 C ATOM 566 O ARG A 40 -7.606 13.173 2.517 1.00 1.00 O ATOM 567 CB ARG A 40 -6.547 11.603 5.016 1.00 1.00 C ATOM 568 CG ARG A 40 -6.457 12.710 6.066 1.00 1.00 C ATOM 569 CD ARG A 40 -5.172 12.544 6.878 1.00 1.00 C ATOM 570 NE ARG A 40 -4.001 12.773 6.040 1.00 1.00 N ATOM 571 CZ ARG A 40 -2.771 12.594 6.514 1.00 1.00 C ATOM 572 NH1 ARG A 40 -2.596 12.195 7.744 1.00 1.00 N ATOM 573 NH2 ARG A 40 -1.736 12.816 5.747 1.00 1.00 N ATOM 0 H ARG A 40 -7.533 10.630 2.538 1.00 1.00 H new ATOM 0 HA ARG A 40 -8.698 11.554 5.102 1.00 1.00 H new ATOM 0 HB2 ARG A 40 -6.389 10.631 5.483 1.00 1.00 H new ATOM 0 HB3 ARG A 40 -5.762 11.730 4.271 1.00 1.00 H new ATOM 0 HG2 ARG A 40 -6.469 13.686 5.582 1.00 1.00 H new ATOM 0 HG3 ARG A 40 -7.324 12.671 6.726 1.00 1.00 H new ATOM 0 HD2 ARG A 40 -5.170 13.244 7.713 1.00 1.00 H new ATOM 0 HD3 ARG A 40 -5.131 11.541 7.303 1.00 1.00 H new ATOM 0 HE ARG A 40 -4.127 13.076 5.074 1.00 1.00 H new ATOM 0 HH11 ARG A 40 -3.403 12.020 8.343 1.00 1.00 H new ATOM 0 HH12 ARG A 40 -1.652 12.058 8.106 1.00 1.00 H new ATOM 0 HH21 ARG A 40 -1.871 13.127 4.785 1.00 1.00 H new ATOM 0 HH22 ARG A 40 -0.793 12.679 6.111 1.00 1.00 H new ATOM 587 N ASN A 41 -8.843 13.882 4.268 1.00 1.00 N ATOM 588 CA ASN A 41 -9.112 15.206 3.708 1.00 1.00 C ATOM 589 C ASN A 41 -9.830 15.110 2.362 1.00 1.00 C ATOM 590 O ASN A 41 -9.616 15.943 1.480 1.00 1.00 O ATOM 591 CB ASN A 41 -7.805 15.989 3.542 1.00 1.00 C ATOM 592 CG ASN A 41 -7.268 16.399 4.908 1.00 1.00 C ATOM 593 OD1 ASN A 41 -8.011 16.408 5.890 1.00 1.00 O ATOM 594 ND2 ASN A 41 -6.016 16.743 5.032 1.00 1.00 N ATOM 0 H ASN A 41 -9.265 13.721 5.183 1.00 1.00 H new ATOM 0 HA ASN A 41 -9.764 15.732 4.405 1.00 1.00 H new ATOM 0 HB2 ASN A 41 -7.068 15.378 3.021 1.00 1.00 H new ATOM 0 HB3 ASN A 41 -7.976 16.874 2.929 1.00 1.00 H new ATOM 0 HD21 ASN A 41 -5.651 17.020 5.943 1.00 1.00 H new ATOM 0 HD22 ASN A 41 -5.402 16.735 4.218 1.00 1.00 H new ATOM 601 N GLY A 42 -10.688 14.105 2.210 1.00 1.00 N ATOM 602 CA GLY A 42 -11.432 13.941 0.965 1.00 1.00 C ATOM 603 C GLY A 42 -10.500 13.539 -0.173 1.00 1.00 C ATOM 604 O GLY A 42 -10.782 13.794 -1.343 1.00 1.00 O ATOM 0 H GLY A 42 -10.884 13.401 2.922 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.204 13.182 1.094 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -11.940 14.872 0.714 1.00 1.00 H new ATOM 608 N GLN A 43 -9.383 12.914 0.189 1.00 1.00 N ATOM 609 CA GLN A 43 -8.389 12.476 -0.784 1.00 1.00 C ATOM 610 C GLN A 43 -7.952 11.047 -0.476 1.00 1.00 C ATOM 611 O GLN A 43 -8.008 10.609 0.668 1.00 1.00 O ATOM 612 CB GLN A 43 -7.184 13.421 -0.718 1.00 1.00 C ATOM 613 CG GLN A 43 -6.024 12.867 -1.543 1.00 1.00 C ATOM 614 CD GLN A 43 -4.917 13.912 -1.643 1.00 1.00 C ATOM 615 OE1 GLN A 43 -3.720 13.555 -2.022 1.00 1.00 O flip ATOM 616 NE2 GLN A 43 -5.151 15.089 -1.369 1.00 1.00 N flip ATOM 0 H GLN A 43 -9.143 12.699 1.157 1.00 1.00 H new ATOM 0 HA GLN A 43 -8.818 12.498 -1.786 1.00 1.00 H new ATOM 0 HB2 GLN A 43 -7.466 14.406 -1.091 1.00 1.00 H new ATOM 0 HB3 GLN A 43 -6.872 13.550 0.318 1.00 1.00 H new ATOM 0 HG2 GLN A 43 -5.638 11.958 -1.081 1.00 1.00 H new ATOM 0 HG3 GLN A 43 -6.372 12.595 -2.540 1.00 1.00 H new ATOM 0 HE21 GLN A 43 -6.087 15.367 -1.073 1.00 1.00 H new ATOM 0 HE22 GLN A 43 -4.409 15.786 -1.438 1.00 1.00 H new ATOM 625 N TYR A 44 -7.511 10.326 -1.503 1.00 1.00 N ATOM 626 CA TYR A 44 -7.057 8.946 -1.326 1.00 1.00 C ATOM 627 C TYR A 44 -5.548 8.914 -1.107 1.00 1.00 C ATOM 628 O TYR A 44 -4.796 9.580 -1.817 1.00 1.00 O ATOM 629 CB TYR A 44 -7.407 8.113 -2.563 1.00 1.00 C ATOM 630 CG TYR A 44 -8.892 7.848 -2.600 1.00 1.00 C ATOM 631 CD1 TYR A 44 -9.763 8.803 -3.137 1.00 1.00 C ATOM 632 CD2 TYR A 44 -9.400 6.640 -2.102 1.00 1.00 C ATOM 633 CE1 TYR A 44 -11.140 8.553 -3.176 1.00 1.00 C ATOM 634 CE2 TYR A 44 -10.777 6.391 -2.140 1.00 1.00 C ATOM 635 CZ TYR A 44 -11.647 7.347 -2.677 1.00 1.00 C ATOM 636 OH TYR A 44 -13.005 7.101 -2.716 1.00 1.00 O ATOM 0 H TYR A 44 -7.458 10.670 -2.462 1.00 1.00 H new ATOM 0 HA TYR A 44 -7.558 8.526 -0.454 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -7.100 8.641 -3.466 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -6.861 7.170 -2.544 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -9.373 9.734 -3.522 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -8.729 5.901 -1.689 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -11.811 9.290 -3.591 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -11.168 5.461 -1.755 1.00 1.00 H new ATOM 0 HH TYR A 44 -13.189 6.219 -2.331 1.00 1.00 H new ATOM 646 N GLU A 45 -5.109 8.129 -0.123 1.00 1.00 N ATOM 647 CA GLU A 45 -3.683 8.010 0.175 1.00 1.00 C ATOM 648 C GLU A 45 -3.350 6.586 0.600 1.00 1.00 C ATOM 649 O GLU A 45 -4.139 5.926 1.273 1.00 1.00 O ATOM 650 CB GLU A 45 -3.284 9.004 1.278 1.00 1.00 C ATOM 651 CG GLU A 45 -3.906 8.602 2.619 1.00 1.00 C ATOM 652 CD GLU A 45 -3.569 9.652 3.673 1.00 1.00 C ATOM 653 OE1 GLU A 45 -2.773 10.526 3.375 1.00 1.00 O ATOM 654 OE2 GLU A 45 -4.112 9.563 4.761 1.00 1.00 O ATOM 0 H GLU A 45 -5.716 7.570 0.477 1.00 1.00 H new ATOM 0 HA GLU A 45 -3.117 8.246 -0.726 1.00 1.00 H new ATOM 0 HB2 GLU A 45 -2.198 9.036 1.370 1.00 1.00 H new ATOM 0 HB3 GLU A 45 -3.611 10.008 1.006 1.00 1.00 H new ATOM 0 HG2 GLU A 45 -4.987 8.508 2.517 1.00 1.00 H new ATOM 0 HG3 GLU A 45 -3.530 7.627 2.929 1.00 1.00 H new ATOM 661 N LEU A 46 -2.169 6.118 0.199 1.00 1.00 N ATOM 662 CA LEU A 46 -1.725 4.763 0.530 1.00 1.00 C ATOM 663 C LEU A 46 -0.696 4.802 1.651 1.00 1.00 C ATOM 664 O LEU A 46 0.394 5.352 1.488 1.00 1.00 O ATOM 665 CB LEU A 46 -1.108 4.120 -0.723 1.00 1.00 C ATOM 666 CG LEU A 46 -0.517 2.741 -0.393 1.00 1.00 C ATOM 667 CD1 LEU A 46 -1.591 1.832 0.217 1.00 1.00 C ATOM 668 CD2 LEU A 46 0.016 2.107 -1.685 1.00 1.00 C ATOM 0 H LEU A 46 -1.502 6.656 -0.355 1.00 1.00 H new ATOM 0 HA LEU A 46 -2.579 4.175 0.866 1.00 1.00 H new ATOM 0 HB2 LEU A 46 -1.868 4.019 -1.497 1.00 1.00 H new ATOM 0 HB3 LEU A 46 -0.329 4.768 -1.124 1.00 1.00 H new ATOM 0 HG LEU A 46 0.291 2.859 0.329 1.00 1.00 H new ATOM 0 HD11 LEU A 46 -1.157 0.859 0.445 1.00 1.00 H new ATOM 0 HD12 LEU A 46 -1.972 2.283 1.133 1.00 1.00 H new ATOM 0 HD13 LEU A 46 -2.408 1.707 -0.493 1.00 1.00 H new ATOM 0 HD21 LEU A 46 0.438 1.127 -1.462 1.00 1.00 H new ATOM 0 HD22 LEU A 46 -0.800 1.997 -2.400 1.00 1.00 H new ATOM 0 HD23 LEU A 46 0.789 2.746 -2.112 1.00 1.00 H new ATOM 680 N ILE A 47 -1.045 4.203 2.790 1.00 1.00 N ATOM 681 CA ILE A 47 -0.141 4.160 3.941 1.00 1.00 C ATOM 682 C ILE A 47 0.367 2.742 4.149 1.00 1.00 C ATOM 683 O ILE A 47 -0.411 1.842 4.458 1.00 1.00 O ATOM 684 CB ILE A 47 -0.880 4.599 5.204 1.00 1.00 C ATOM 685 CG1 ILE A 47 -1.434 6.014 5.008 1.00 1.00 C ATOM 686 CG2 ILE A 47 0.093 4.595 6.388 1.00 1.00 C ATOM 687 CD1 ILE A 47 -2.360 6.364 6.175 1.00 1.00 C ATOM 0 H ILE A 47 -1.943 3.743 2.941 1.00 1.00 H new ATOM 0 HA ILE A 47 0.695 4.832 3.748 1.00 1.00 H new ATOM 0 HB ILE A 47 -1.702 3.911 5.402 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -0.616 6.732 4.951 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -1.979 6.076 4.066 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -0.431 4.908 7.291 1.00 1.00 H new ATOM 0 HG22 ILE A 47 0.490 3.590 6.529 1.00 1.00 H new ATOM 0 HG23 ILE A 47 0.913 5.284 6.187 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -2.755 7.371 6.037 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -3.185 5.652 6.211 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -1.801 6.319 7.109 1.00 1.00 H new ATOM 699 N ILE A 48 1.673 2.547 3.993 1.00 1.00 N ATOM 700 CA ILE A 48 2.265 1.224 4.181 1.00 1.00 C ATOM 701 C ILE A 48 3.039 1.202 5.491 1.00 1.00 C ATOM 702 O ILE A 48 4.008 1.941 5.666 1.00 1.00 O ATOM 703 CB ILE A 48 3.203 0.899 3.018 1.00 1.00 C ATOM 704 CG1 ILE A 48 2.448 1.065 1.700 1.00 1.00 C ATOM 705 CG2 ILE A 48 3.681 -0.550 3.135 1.00 1.00 C ATOM 706 CD1 ILE A 48 3.422 0.917 0.529 1.00 1.00 C ATOM 0 H ILE A 48 2.337 3.279 3.740 1.00 1.00 H new ATOM 0 HA ILE A 48 1.473 0.475 4.212 1.00 1.00 H new ATOM 0 HB ILE A 48 4.059 1.573 3.045 1.00 1.00 H new ATOM 0 HG12 ILE A 48 1.658 0.318 1.625 1.00 1.00 H new ATOM 0 HG13 ILE A 48 1.967 2.043 1.665 1.00 1.00 H new ATOM 0 HG21 ILE A 48 4.350 -0.781 2.306 1.00 1.00 H new ATOM 0 HG22 ILE A 48 4.213 -0.683 4.077 1.00 1.00 H new ATOM 0 HG23 ILE A 48 2.822 -1.220 3.106 1.00 1.00 H new ATOM 0 HD11 ILE A 48 2.882 1.036 -0.410 1.00 1.00 H new ATOM 0 HD12 ILE A 48 4.197 1.680 0.601 1.00 1.00 H new ATOM 0 HD13 ILE A 48 3.882 -0.071 0.561 1.00 1.00 H new ATOM 718 N GLN A 49 2.595 0.359 6.417 1.00 1.00 N ATOM 719 CA GLN A 49 3.241 0.256 7.717 1.00 1.00 C ATOM 720 C GLN A 49 4.476 -0.633 7.636 1.00 1.00 C ATOM 721 O GLN A 49 4.411 -1.763 7.152 1.00 1.00 O ATOM 722 CB GLN A 49 2.270 -0.332 8.739 1.00 1.00 C ATOM 723 CG GLN A 49 0.994 0.512 8.787 1.00 1.00 C ATOM 724 CD GLN A 49 1.309 1.928 9.254 1.00 1.00 C ATOM 725 OE1 GLN A 49 1.773 2.752 8.470 1.00 1.00 O ATOM 726 NE2 GLN A 49 1.089 2.256 10.499 1.00 1.00 N ATOM 0 H GLN A 49 1.794 -0.260 6.291 1.00 1.00 H new ATOM 0 HA GLN A 49 3.541 1.257 8.026 1.00 1.00 H new ATOM 0 HB2 GLN A 49 2.027 -1.361 8.473 1.00 1.00 H new ATOM 0 HB3 GLN A 49 2.736 -0.359 9.724 1.00 1.00 H new ATOM 0 HG2 GLN A 49 0.533 0.542 7.800 1.00 1.00 H new ATOM 0 HG3 GLN A 49 0.272 0.052 9.462 1.00 1.00 H new ATOM 0 HE21 GLN A 49 0.704 1.569 11.147 1.00 1.00 H new ATOM 0 HE22 GLN A 49 1.303 3.199 10.823 1.00 1.00 H new ATOM 735 N LEU A 50 5.598 -0.116 8.128 1.00 1.00 N ATOM 736 CA LEU A 50 6.861 -0.862 8.131 1.00 1.00 C ATOM 737 C LEU A 50 7.231 -1.237 9.563 1.00 1.00 C ATOM 738 O LEU A 50 7.227 -0.391 10.457 1.00 1.00 O ATOM 739 CB LEU A 50 7.982 -0.008 7.508 1.00 1.00 C ATOM 740 CG LEU A 50 7.986 -0.161 5.981 1.00 1.00 C ATOM 741 CD1 LEU A 50 6.583 0.089 5.424 1.00 1.00 C ATOM 742 CD2 LEU A 50 8.969 0.846 5.376 1.00 1.00 C ATOM 0 H LEU A 50 5.662 0.819 8.532 1.00 1.00 H new ATOM 0 HA LEU A 50 6.740 -1.770 7.540 1.00 1.00 H new ATOM 0 HB2 LEU A 50 7.841 1.039 7.774 1.00 1.00 H new ATOM 0 HB3 LEU A 50 8.947 -0.312 7.913 1.00 1.00 H new ATOM 0 HG LEU A 50 8.292 -1.174 5.721 1.00 1.00 H new ATOM 0 HD11 LEU A 50 6.597 -0.022 4.340 1.00 1.00 H new ATOM 0 HD12 LEU A 50 5.887 -0.632 5.854 1.00 1.00 H new ATOM 0 HD13 LEU A 50 6.264 1.099 5.681 1.00 1.00 H new ATOM 0 HD21 LEU A 50 8.976 0.741 4.291 1.00 1.00 H new ATOM 0 HD22 LEU A 50 8.663 1.858 5.641 1.00 1.00 H new ATOM 0 HD23 LEU A 50 9.969 0.656 5.765 1.00 1.00 H new ATOM 754 N HIS A 51 7.551 -2.511 9.774 1.00 1.00 N ATOM 755 CA HIS A 51 7.923 -2.994 11.103 1.00 1.00 C ATOM 756 C HIS A 51 9.442 -2.974 11.266 1.00 1.00 C ATOM 757 O HIS A 51 10.054 -3.988 11.601 1.00 1.00 O ATOM 758 CB HIS A 51 7.396 -4.419 11.306 1.00 1.00 C ATOM 759 CG HIS A 51 6.018 -4.537 10.708 1.00 1.00 C ATOM 760 ND1 HIS A 51 5.309 -3.435 10.256 1.00 1.00 N ATOM 761 CD2 HIS A 51 5.207 -5.622 10.479 1.00 1.00 C ATOM 762 CE1 HIS A 51 4.129 -3.877 9.783 1.00 1.00 C ATOM 763 NE2 HIS A 51 4.016 -5.203 9.894 1.00 1.00 N ATOM 0 H HIS A 51 7.561 -3.226 9.046 1.00 1.00 H new ATOM 0 HA HIS A 51 7.480 -2.338 11.852 1.00 1.00 H new ATOM 0 HB2 HIS A 51 8.069 -5.137 10.838 1.00 1.00 H new ATOM 0 HB3 HIS A 51 7.364 -4.658 12.369 1.00 1.00 H new ATOM 0 HD2 HIS A 51 5.456 -6.646 10.717 1.00 1.00 H new ATOM 0 HE1 HIS A 51 3.366 -3.237 9.365 1.00 1.00 H new ATOM 0 HE2 HIS A 51 3.227 -5.784 9.611 1.00 1.00 H new ATOM 771 N GLU A 52 10.040 -1.811 11.027 1.00 1.00 N ATOM 772 CA GLU A 52 11.488 -1.664 11.148 1.00 1.00 C ATOM 773 C GLU A 52 11.977 -2.294 12.447 1.00 1.00 C ATOM 774 O GLU A 52 11.252 -2.338 13.440 1.00 1.00 O ATOM 775 CB GLU A 52 11.871 -0.179 11.128 1.00 1.00 C ATOM 776 CG GLU A 52 11.547 0.428 9.762 1.00 1.00 C ATOM 777 CD GLU A 52 12.434 -0.193 8.685 1.00 1.00 C ATOM 778 OE1 GLU A 52 13.476 -0.723 9.038 1.00 1.00 O ATOM 779 OE2 GLU A 52 12.060 -0.129 7.527 1.00 1.00 O ATOM 0 H GLU A 52 9.549 -0.961 10.750 1.00 1.00 H new ATOM 0 HA GLU A 52 11.957 -2.171 10.305 1.00 1.00 H new ATOM 0 HB2 GLU A 52 11.330 0.355 11.910 1.00 1.00 H new ATOM 0 HB3 GLU A 52 12.934 -0.066 11.342 1.00 1.00 H new ATOM 0 HG2 GLU A 52 10.497 0.259 9.521 1.00 1.00 H new ATOM 0 HG3 GLU A 52 11.698 1.507 9.790 1.00 1.00 H new ATOM 786 N LYS A 53 13.213 -2.783 12.431 1.00 1.00 N ATOM 787 CA LYS A 53 13.790 -3.412 13.613 1.00 1.00 C ATOM 788 C LYS A 53 13.891 -2.404 14.754 1.00 1.00 C ATOM 789 O LYS A 53 13.642 -2.737 15.913 1.00 1.00 O ATOM 790 CB LYS A 53 15.181 -3.965 13.288 1.00 1.00 C ATOM 791 CG LYS A 53 15.054 -5.120 12.293 1.00 1.00 C ATOM 792 CD LYS A 53 16.443 -5.685 11.977 1.00 1.00 C ATOM 793 CE LYS A 53 16.315 -6.844 10.983 1.00 1.00 C ATOM 794 NZ LYS A 53 17.668 -7.384 10.666 1.00 1.00 N ATOM 0 H LYS A 53 13.830 -2.756 11.619 1.00 1.00 H new ATOM 0 HA LYS A 53 13.141 -4.232 13.921 1.00 1.00 H new ATOM 0 HB2 LYS A 53 15.808 -3.178 12.869 1.00 1.00 H new ATOM 0 HB3 LYS A 53 15.669 -4.309 14.200 1.00 1.00 H new ATOM 0 HG2 LYS A 53 14.419 -5.902 12.708 1.00 1.00 H new ATOM 0 HG3 LYS A 53 14.575 -4.773 11.377 1.00 1.00 H new ATOM 0 HD2 LYS A 53 17.078 -4.903 11.559 1.00 1.00 H new ATOM 0 HD3 LYS A 53 16.923 -6.030 12.893 1.00 1.00 H new ATOM 0 HE2 LYS A 53 15.688 -7.630 11.404 1.00 1.00 H new ATOM 0 HE3 LYS A 53 15.826 -6.502 10.071 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 17.579 -8.170 9.991 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 18.252 -6.633 10.247 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 18.118 -7.726 11.539 1.00 1.00 H new ATOM 808 N GLU A 54 14.268 -1.172 14.420 1.00 1.00 N ATOM 809 CA GLU A 54 14.406 -0.125 15.431 1.00 1.00 C ATOM 810 C GLU A 54 13.064 0.161 16.088 1.00 1.00 C ATOM 811 O GLU A 54 12.963 0.264 17.310 1.00 1.00 O ATOM 812 CB GLU A 54 14.921 1.159 14.784 1.00 1.00 C ATOM 813 CG GLU A 54 16.244 0.875 14.082 1.00 1.00 C ATOM 814 CD GLU A 54 16.800 2.157 13.473 1.00 1.00 C ATOM 815 OE1 GLU A 54 16.211 3.201 13.701 1.00 1.00 O ATOM 816 OE2 GLU A 54 17.808 2.077 12.790 1.00 1.00 O ATOM 0 H GLU A 54 14.482 -0.875 13.468 1.00 1.00 H new ATOM 0 HA GLU A 54 15.112 -0.470 16.186 1.00 1.00 H new ATOM 0 HB2 GLU A 54 14.191 1.537 14.069 1.00 1.00 H new ATOM 0 HB3 GLU A 54 15.056 1.932 15.541 1.00 1.00 H new ATOM 0 HG2 GLU A 54 16.960 0.460 14.792 1.00 1.00 H new ATOM 0 HG3 GLU A 54 16.098 0.127 13.303 1.00 1.00 H new ATOM 823 N GLN A 55 12.034 0.293 15.262 1.00 1.00 N ATOM 824 CA GLN A 55 10.689 0.574 15.764 1.00 1.00 C ATOM 825 C GLN A 55 9.651 0.408 14.656 1.00 1.00 C ATOM 826 O GLN A 55 9.898 -0.263 13.658 1.00 1.00 O ATOM 827 CB GLN A 55 10.622 2.000 16.325 1.00 1.00 C ATOM 828 CG GLN A 55 10.876 3.017 15.207 1.00 1.00 C ATOM 829 CD GLN A 55 10.891 4.432 15.779 1.00 1.00 C ATOM 830 OE1 GLN A 55 11.474 4.669 16.837 1.00 1.00 O ATOM 831 NE2 GLN A 55 10.279 5.391 15.138 1.00 1.00 N ATOM 0 H GLN A 55 12.100 0.211 14.247 1.00 1.00 H new ATOM 0 HA GLN A 55 10.467 -0.138 16.559 1.00 1.00 H new ATOM 0 HB2 GLN A 55 9.645 2.177 16.774 1.00 1.00 H new ATOM 0 HB3 GLN A 55 11.363 2.124 17.115 1.00 1.00 H new ATOM 0 HG2 GLN A 55 11.827 2.803 14.720 1.00 1.00 H new ATOM 0 HG3 GLN A 55 10.101 2.933 14.445 1.00 1.00 H new ATOM 0 HE21 GLN A 55 9.797 5.192 14.262 1.00 1.00 H new ATOM 0 HE22 GLN A 55 10.283 6.339 15.514 1.00 1.00 H new ATOM 840 N HIS A 56 8.488 1.034 14.843 1.00 1.00 N ATOM 841 CA HIS A 56 7.406 0.967 13.855 1.00 1.00 C ATOM 842 C HIS A 56 7.219 2.330 13.197 1.00 1.00 C ATOM 843 O HIS A 56 6.846 3.301 13.857 1.00 1.00 O ATOM 844 CB HIS A 56 6.099 0.546 14.534 1.00 1.00 C ATOM 845 CG HIS A 56 5.071 0.227 13.482 1.00 1.00 C ATOM 846 ND1 HIS A 56 5.074 -0.972 12.787 1.00 1.00 N ATOM 847 CD2 HIS A 56 4.006 0.942 12.992 1.00 1.00 C ATOM 848 CE1 HIS A 56 4.042 -0.944 11.924 1.00 1.00 C ATOM 849 NE2 HIS A 56 3.358 0.200 12.007 1.00 1.00 N ATOM 0 H HIS A 56 8.270 1.593 15.668 1.00 1.00 H new ATOM 0 HA HIS A 56 7.670 0.231 13.096 1.00 1.00 H new ATOM 0 HB2 HIS A 56 6.269 -0.324 15.168 1.00 1.00 H new ATOM 0 HB3 HIS A 56 5.738 1.346 15.181 1.00 1.00 H new ATOM 0 HD1 HIS A 56 5.738 -1.737 12.908 1.00 1.00 H new ATOM 0 HD2 HIS A 56 3.715 1.929 13.320 1.00 1.00 H new ATOM 0 HE1 HIS A 56 3.797 -1.749 11.247 1.00 1.00 H new ATOM 857 N VAL A 57 7.487 2.398 11.892 1.00 1.00 N ATOM 858 CA VAL A 57 7.355 3.652 11.141 1.00 1.00 C ATOM 859 C VAL A 57 6.391 3.477 9.977 1.00 1.00 C ATOM 860 O VAL A 57 6.409 2.461 9.282 1.00 1.00 O ATOM 861 CB VAL A 57 8.712 4.085 10.602 1.00 1.00 C ATOM 862 CG1 VAL A 57 8.563 5.413 9.859 1.00 1.00 C ATOM 863 CG2 VAL A 57 9.695 4.252 11.763 1.00 1.00 C ATOM 0 H VAL A 57 7.796 1.603 11.333 1.00 1.00 H new ATOM 0 HA VAL A 57 6.968 4.415 11.817 1.00 1.00 H new ATOM 0 HB VAL A 57 9.091 3.327 9.917 1.00 1.00 H new ATOM 0 HG11 VAL A 57 9.533 5.725 9.472 1.00 1.00 H new ATOM 0 HG12 VAL A 57 7.865 5.290 9.031 1.00 1.00 H new ATOM 0 HG13 VAL A 57 8.184 6.172 10.543 1.00 1.00 H new ATOM 0 HG21 VAL A 57 10.666 4.562 11.376 1.00 1.00 H new ATOM 0 HG22 VAL A 57 9.320 5.010 12.451 1.00 1.00 H new ATOM 0 HG23 VAL A 57 9.800 3.304 12.290 1.00 1.00 H new ATOM 873 N GLN A 58 5.545 4.480 9.776 1.00 1.00 N ATOM 874 CA GLN A 58 4.557 4.455 8.700 1.00 1.00 C ATOM 875 C GLN A 58 5.055 5.224 7.483 1.00 1.00 C ATOM 876 O GLN A 58 5.674 6.280 7.608 1.00 1.00 O ATOM 877 CB GLN A 58 3.246 5.080 9.187 1.00 1.00 C ATOM 878 CG GLN A 58 3.458 6.565 9.497 1.00 1.00 C ATOM 879 CD GLN A 58 2.182 7.159 10.073 1.00 1.00 C ATOM 880 OE1 GLN A 58 1.170 7.382 9.280 1.00 1.00 O flip ATOM 881 NE2 GLN A 58 2.104 7.430 11.272 1.00 1.00 N flip ATOM 0 H GLN A 58 5.522 5.325 10.346 1.00 1.00 H new ATOM 0 HA GLN A 58 4.392 3.416 8.415 1.00 1.00 H new ATOM 0 HB2 GLN A 58 2.474 4.965 8.426 1.00 1.00 H new ATOM 0 HB3 GLN A 58 2.895 4.560 10.078 1.00 1.00 H new ATOM 0 HG2 GLN A 58 4.278 6.684 10.206 1.00 1.00 H new ATOM 0 HG3 GLN A 58 3.741 7.098 8.590 1.00 1.00 H new ATOM 0 HE21 GLN A 58 2.898 7.254 11.887 1.00 1.00 H new ATOM 0 HE22 GLN A 58 1.245 7.831 11.649 1.00 1.00 H new ATOM 890 N ASP A 59 4.757 4.693 6.307 1.00 1.00 N ATOM 891 CA ASP A 59 5.144 5.331 5.049 1.00 1.00 C ATOM 892 C ASP A 59 3.940 6.041 4.440 1.00 1.00 C ATOM 893 O ASP A 59 2.956 5.399 4.072 1.00 1.00 O ATOM 894 CB ASP A 59 5.670 4.283 4.069 1.00 1.00 C ATOM 895 CG ASP A 59 7.041 3.793 4.514 1.00 1.00 C ATOM 896 OD1 ASP A 59 7.623 4.425 5.380 1.00 1.00 O ATOM 897 OD2 ASP A 59 7.491 2.790 3.985 1.00 1.00 O ATOM 0 H ASP A 59 4.246 3.818 6.193 1.00 1.00 H new ATOM 0 HA ASP A 59 5.931 6.058 5.249 1.00 1.00 H new ATOM 0 HB2 ASP A 59 4.976 3.445 4.014 1.00 1.00 H new ATOM 0 HB3 ASP A 59 5.735 4.710 3.068 1.00 1.00 H new ATOM 902 N ILE A 60 4.012 7.367 4.346 1.00 1.00 N ATOM 903 CA ILE A 60 2.907 8.147 3.787 1.00 1.00 C ATOM 904 C ILE A 60 3.121 8.362 2.292 1.00 1.00 C ATOM 905 O ILE A 60 3.904 9.218 1.882 1.00 1.00 O ATOM 906 CB ILE A 60 2.829 9.504 4.490 1.00 1.00 C ATOM 907 CG1 ILE A 60 2.662 9.304 6.008 1.00 1.00 C ATOM 908 CG2 ILE A 60 1.653 10.310 3.933 1.00 1.00 C ATOM 909 CD1 ILE A 60 1.412 8.468 6.328 1.00 1.00 C ATOM 0 H ILE A 60 4.815 7.920 4.646 1.00 1.00 H new ATOM 0 HA ILE A 60 1.976 7.601 3.940 1.00 1.00 H new ATOM 0 HB ILE A 60 3.753 10.052 4.308 1.00 1.00 H new ATOM 0 HG12 ILE A 60 3.546 8.809 6.411 1.00 1.00 H new ATOM 0 HG13 ILE A 60 2.588 10.274 6.499 1.00 1.00 H new ATOM 0 HG21 ILE A 60 1.602 11.275 4.437 1.00 1.00 H new ATOM 0 HG22 ILE A 60 1.793 10.466 2.863 1.00 1.00 H new ATOM 0 HG23 ILE A 60 0.725 9.763 4.101 1.00 1.00 H new ATOM 0 HD11 ILE A 60 1.323 8.345 7.407 1.00 1.00 H new ATOM 0 HD12 ILE A 60 0.527 8.977 5.946 1.00 1.00 H new ATOM 0 HD13 ILE A 60 1.499 7.489 5.857 1.00 1.00 H new ATOM 921 N ILE A 61 2.412 7.572 1.488 1.00 1.00 N ATOM 922 CA ILE A 61 2.508 7.651 0.027 1.00 1.00 C ATOM 923 C ILE A 61 1.154 8.048 -0.570 1.00 1.00 C ATOM 924 O ILE A 61 0.335 7.185 -0.879 1.00 1.00 O ATOM 925 CB ILE A 61 2.903 6.283 -0.530 1.00 1.00 C ATOM 926 CG1 ILE A 61 4.150 5.753 0.200 1.00 1.00 C ATOM 927 CG2 ILE A 61 3.188 6.401 -2.029 1.00 1.00 C ATOM 928 CD1 ILE A 61 5.292 6.775 0.135 1.00 1.00 C ATOM 0 H ILE A 61 1.759 6.864 1.825 1.00 1.00 H new ATOM 0 HA ILE A 61 3.257 8.398 -0.236 1.00 1.00 H new ATOM 0 HB ILE A 61 2.081 5.584 -0.373 1.00 1.00 H new ATOM 0 HG12 ILE A 61 3.905 5.540 1.240 1.00 1.00 H new ATOM 0 HG13 ILE A 61 4.470 4.814 -0.251 1.00 1.00 H new ATOM 0 HG21 ILE A 61 3.469 5.425 -2.424 1.00 1.00 H new ATOM 0 HG22 ILE A 61 2.295 6.756 -2.542 1.00 1.00 H new ATOM 0 HG23 ILE A 61 4.003 7.106 -2.190 1.00 1.00 H new ATOM 0 HD11 ILE A 61 6.164 6.380 0.657 1.00 1.00 H new ATOM 0 HD12 ILE A 61 5.549 6.967 -0.907 1.00 1.00 H new ATOM 0 HD13 ILE A 61 4.976 7.705 0.608 1.00 1.00 H new ATOM 940 N PRO A 62 0.895 9.323 -0.738 1.00 1.00 N ATOM 941 CA PRO A 62 -0.399 9.810 -1.310 1.00 1.00 C ATOM 942 C PRO A 62 -0.669 9.245 -2.704 1.00 1.00 C ATOM 943 O PRO A 62 0.253 9.018 -3.487 1.00 1.00 O ATOM 944 CB PRO A 62 -0.236 11.342 -1.347 1.00 1.00 C ATOM 945 CG PRO A 62 0.842 11.638 -0.356 1.00 1.00 C ATOM 946 CD PRO A 62 1.786 10.441 -0.397 1.00 1.00 C ATOM 0 HA PRO A 62 -1.253 9.488 -0.714 1.00 1.00 H new ATOM 0 HB2 PRO A 62 0.039 11.686 -2.344 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -1.166 11.845 -1.081 1.00 1.00 H new ATOM 0 HG2 PRO A 62 1.367 12.558 -0.612 1.00 1.00 H new ATOM 0 HG3 PRO A 62 0.428 11.775 0.643 1.00 1.00 H new ATOM 0 HD2 PRO A 62 2.571 10.572 -1.142 1.00 1.00 H new ATOM 0 HD3 PRO A 62 2.280 10.284 0.562 1.00 1.00 H new ATOM 954 N ILE A 63 -1.948 9.018 -3.001 1.00 1.00 N ATOM 955 CA ILE A 63 -2.349 8.476 -4.297 1.00 1.00 C ATOM 956 C ILE A 63 -2.688 9.608 -5.264 1.00 1.00 C ATOM 957 O ILE A 63 -3.641 10.357 -5.054 1.00 1.00 O ATOM 958 CB ILE A 63 -3.562 7.566 -4.108 1.00 1.00 C ATOM 959 CG1 ILE A 63 -3.148 6.349 -3.275 1.00 1.00 C ATOM 960 CG2 ILE A 63 -4.075 7.099 -5.472 1.00 1.00 C ATOM 961 CD1 ILE A 63 -4.392 5.578 -2.827 1.00 1.00 C ATOM 0 H ILE A 63 -2.722 9.201 -2.363 1.00 1.00 H new ATOM 0 HA ILE A 63 -1.524 7.901 -4.717 1.00 1.00 H new ATOM 0 HB ILE A 63 -4.353 8.114 -3.596 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -2.498 5.699 -3.862 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -2.576 6.670 -2.405 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -4.940 6.450 -5.333 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -4.363 7.965 -6.068 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -3.288 6.549 -5.988 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -4.091 4.714 -2.235 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -5.025 6.228 -2.224 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -4.947 5.242 -3.703 1.00 1.00 H new ATOM 973 N ASN A 64 -1.893 9.716 -6.325 1.00 1.00 N ATOM 974 CA ASN A 64 -2.090 10.751 -7.333 1.00 1.00 C ATOM 975 C ASN A 64 -1.320 10.400 -8.607 1.00 1.00 C ATOM 976 O ASN A 64 -0.857 9.272 -8.770 1.00 1.00 O ATOM 977 CB ASN A 64 -1.607 12.104 -6.798 1.00 1.00 C ATOM 978 CG ASN A 64 -2.584 12.637 -5.757 1.00 1.00 C ATOM 979 OD1 ASN A 64 -3.798 12.541 -5.937 1.00 1.00 O ATOM 980 ND2 ASN A 64 -2.125 13.199 -4.673 1.00 1.00 N ATOM 0 H ASN A 64 -1.104 9.096 -6.508 1.00 1.00 H new ATOM 0 HA ASN A 64 -3.153 10.814 -7.564 1.00 1.00 H new ATOM 0 HB2 ASN A 64 -0.616 11.996 -6.356 1.00 1.00 H new ATOM 0 HB3 ASN A 64 -1.514 12.816 -7.618 1.00 1.00 H new ATOM 0 HD21 ASN A 64 -2.772 13.560 -3.972 1.00 1.00 H new ATOM 0 HD22 ASN A 64 -1.119 13.277 -4.526 1.00 1.00 H new ATOM 987 N SER A 65 -1.187 11.373 -9.501 1.00 1.00 N ATOM 988 CA SER A 65 -0.473 11.158 -10.755 1.00 1.00 C ATOM 989 C SER A 65 0.997 10.819 -10.504 1.00 1.00 C ATOM 990 O SER A 65 1.603 10.060 -11.259 1.00 1.00 O ATOM 991 CB SER A 65 -0.564 12.411 -11.627 1.00 1.00 C ATOM 992 OG SER A 65 -0.006 13.515 -10.928 1.00 1.00 O ATOM 0 H SER A 65 -1.562 12.314 -9.382 1.00 1.00 H new ATOM 0 HA SER A 65 -0.939 10.316 -11.267 1.00 1.00 H new ATOM 0 HB2 SER A 65 -0.032 12.254 -12.565 1.00 1.00 H new ATOM 0 HB3 SER A 65 -1.604 12.616 -11.881 1.00 1.00 H new ATOM 0 HG SER A 65 -0.062 14.318 -11.487 1.00 1.00 H new ATOM 998 N HIS A 66 1.569 11.393 -9.448 1.00 1.00 N ATOM 999 CA HIS A 66 2.973 11.143 -9.124 1.00 1.00 C ATOM 1000 C HIS A 66 3.155 9.769 -8.485 1.00 1.00 C ATOM 1001 O HIS A 66 4.277 9.280 -8.353 1.00 1.00 O ATOM 1002 CB HIS A 66 3.498 12.230 -8.182 1.00 1.00 C ATOM 1003 CG HIS A 66 2.646 12.286 -6.943 1.00 1.00 C ATOM 1004 ND1 HIS A 66 2.464 11.190 -6.117 1.00 1.00 N ATOM 1005 CD2 HIS A 66 1.929 13.308 -6.373 1.00 1.00 C ATOM 1006 CE1 HIS A 66 1.669 11.574 -5.102 1.00 1.00 C ATOM 1007 NE2 HIS A 66 1.314 12.856 -5.210 1.00 1.00 N ATOM 0 H HIS A 66 1.090 12.027 -8.809 1.00 1.00 H new ATOM 0 HA HIS A 66 3.543 11.165 -10.053 1.00 1.00 H new ATOM 0 HB2 HIS A 66 4.534 12.022 -7.913 1.00 1.00 H new ATOM 0 HB3 HIS A 66 3.487 13.197 -8.686 1.00 1.00 H new ATOM 0 HD2 HIS A 66 1.854 14.311 -6.767 1.00 1.00 H new ATOM 0 HE1 HIS A 66 1.356 10.924 -4.298 1.00 1.00 H new ATOM 0 HE2 HIS A 66 0.719 13.390 -4.576 1.00 1.00 H new ATOM 1015 N PHE A 67 2.044 9.146 -8.091 1.00 1.00 N ATOM 1016 CA PHE A 67 2.080 7.818 -7.468 1.00 1.00 C ATOM 1017 C PHE A 67 1.404 6.795 -8.377 1.00 1.00 C ATOM 1018 O PHE A 67 0.284 7.008 -8.840 1.00 1.00 O ATOM 1019 CB PHE A 67 1.363 7.867 -6.109 1.00 1.00 C ATOM 1020 CG PHE A 67 1.058 6.464 -5.620 1.00 1.00 C ATOM 1021 CD1 PHE A 67 2.016 5.742 -4.900 1.00 1.00 C ATOM 1022 CD2 PHE A 67 -0.190 5.891 -5.895 1.00 1.00 C ATOM 1023 CE1 PHE A 67 1.725 4.446 -4.454 1.00 1.00 C ATOM 1024 CE2 PHE A 67 -0.479 4.596 -5.449 1.00 1.00 C ATOM 1025 CZ PHE A 67 0.478 3.873 -4.729 1.00 1.00 C ATOM 0 H PHE A 67 1.107 9.537 -8.191 1.00 1.00 H new ATOM 0 HA PHE A 67 3.118 7.522 -7.317 1.00 1.00 H new ATOM 0 HB2 PHE A 67 1.987 8.385 -5.380 1.00 1.00 H new ATOM 0 HB3 PHE A 67 0.438 8.436 -6.199 1.00 1.00 H new ATOM 0 HD1 PHE A 67 2.979 6.183 -4.688 1.00 1.00 H new ATOM 0 HD2 PHE A 67 -0.929 6.448 -6.451 1.00 1.00 H new ATOM 0 HE1 PHE A 67 2.464 3.889 -3.897 1.00 1.00 H new ATOM 0 HE2 PHE A 67 -1.442 4.155 -5.661 1.00 1.00 H new ATOM 0 HZ PHE A 67 0.255 2.874 -4.386 1.00 1.00 H new ATOM 1035 N ARG A 68 2.091 5.680 -8.618 1.00 1.00 N ATOM 1036 CA ARG A 68 1.550 4.616 -9.465 1.00 1.00 C ATOM 1037 C ARG A 68 1.806 3.248 -8.848 1.00 1.00 C ATOM 1038 O ARG A 68 2.843 3.014 -8.228 1.00 1.00 O ATOM 1039 CB ARG A 68 2.181 4.671 -10.855 1.00 1.00 C ATOM 1040 CG ARG A 68 1.681 5.913 -11.591 1.00 1.00 C ATOM 1041 CD ARG A 68 2.304 5.963 -12.983 1.00 1.00 C ATOM 1042 NE ARG A 68 1.829 7.138 -13.705 1.00 1.00 N ATOM 1043 CZ ARG A 68 2.339 7.475 -14.884 1.00 1.00 C ATOM 1044 NH1 ARG A 68 3.308 6.772 -15.404 1.00 1.00 N ATOM 1045 NH2 ARG A 68 1.873 8.516 -15.519 1.00 1.00 N ATOM 0 H ARG A 68 3.019 5.489 -8.241 1.00 1.00 H new ATOM 0 HA ARG A 68 0.474 4.769 -9.549 1.00 1.00 H new ATOM 0 HB2 ARG A 68 3.268 4.697 -10.772 1.00 1.00 H new ATOM 0 HB3 ARG A 68 1.925 3.774 -11.418 1.00 1.00 H new ATOM 0 HG2 ARG A 68 0.594 5.891 -11.668 1.00 1.00 H new ATOM 0 HG3 ARG A 68 1.943 6.811 -11.031 1.00 1.00 H new ATOM 0 HD2 ARG A 68 3.391 5.991 -12.902 1.00 1.00 H new ATOM 0 HD3 ARG A 68 2.049 5.059 -13.536 1.00 1.00 H new ATOM 0 HE ARG A 68 1.091 7.712 -13.297 1.00 1.00 H new ATOM 0 HH11 ARG A 68 3.675 5.962 -14.905 1.00 1.00 H new ATOM 0 HH12 ARG A 68 3.698 7.033 -16.310 1.00 1.00 H new ATOM 0 HH21 ARG A 68 1.119 9.068 -15.109 1.00 1.00 H new ATOM 0 HH22 ARG A 68 2.263 8.777 -16.425 1.00 1.00 H new ATOM 1059 N CYS A 69 0.849 2.345 -9.045 1.00 1.00 N ATOM 1060 CA CYS A 69 0.949 0.975 -8.529 1.00 1.00 C ATOM 1061 C CYS A 69 0.857 -0.006 -9.691 1.00 1.00 C ATOM 1062 O CYS A 69 -0.216 -0.214 -10.253 1.00 1.00 O ATOM 1063 CB CYS A 69 -0.188 0.711 -7.534 1.00 1.00 C ATOM 1064 SG CYS A 69 -0.344 -1.070 -7.237 1.00 1.00 S ATOM 0 H CYS A 69 -0.010 2.535 -9.561 1.00 1.00 H new ATOM 0 HA CYS A 69 1.903 0.846 -8.018 1.00 1.00 H new ATOM 0 HB2 CYS A 69 0.010 1.229 -6.596 1.00 1.00 H new ATOM 0 HB3 CYS A 69 -1.125 1.107 -7.925 1.00 1.00 H new ATOM 0 HG CYS A 69 -1.308 -1.286 -6.392 1.00 1.00 H new ATOM 1070 N VAL A 70 1.990 -0.604 -10.057 1.00 1.00 N ATOM 1071 CA VAL A 70 2.021 -1.557 -11.172 1.00 1.00 C ATOM 1072 C VAL A 70 2.191 -2.982 -10.660 1.00 1.00 C ATOM 1073 O VAL A 70 3.127 -3.276 -9.924 1.00 1.00 O ATOM 1074 CB VAL A 70 3.179 -1.204 -12.114 1.00 1.00 C ATOM 1075 CG1 VAL A 70 3.112 0.286 -12.454 1.00 1.00 C ATOM 1076 CG2 VAL A 70 4.521 -1.517 -11.437 1.00 1.00 C ATOM 0 H VAL A 70 2.891 -0.450 -9.605 1.00 1.00 H new ATOM 0 HA VAL A 70 1.076 -1.495 -11.711 1.00 1.00 H new ATOM 0 HB VAL A 70 3.096 -1.795 -13.026 1.00 1.00 H new ATOM 0 HG11 VAL A 70 3.933 0.544 -13.124 1.00 1.00 H new ATOM 0 HG12 VAL A 70 2.163 0.505 -12.942 1.00 1.00 H new ATOM 0 HG13 VAL A 70 3.193 0.872 -11.539 1.00 1.00 H new ATOM 0 HG21 VAL A 70 5.337 -1.263 -12.113 1.00 1.00 H new ATOM 0 HG22 VAL A 70 4.612 -0.932 -10.522 1.00 1.00 H new ATOM 0 HG23 VAL A 70 4.567 -2.579 -11.195 1.00 1.00 H new ATOM 1086 N GLN A 71 1.272 -3.862 -11.060 1.00 1.00 N ATOM 1087 CA GLN A 71 1.316 -5.265 -10.640 1.00 1.00 C ATOM 1088 C GLN A 71 1.934 -6.126 -11.734 1.00 1.00 C ATOM 1089 O GLN A 71 1.382 -6.249 -12.828 1.00 1.00 O ATOM 1090 CB GLN A 71 -0.107 -5.752 -10.330 1.00 1.00 C ATOM 1091 CG GLN A 71 -0.112 -7.261 -10.048 1.00 1.00 C ATOM 1092 CD GLN A 71 0.891 -7.605 -8.954 1.00 1.00 C ATOM 1093 OE1 GLN A 71 1.857 -8.326 -9.202 1.00 1.00 O ATOM 1094 NE2 GLN A 71 0.720 -7.132 -7.750 1.00 1.00 N ATOM 0 H GLN A 71 0.490 -3.630 -11.672 1.00 1.00 H new ATOM 0 HA GLN A 71 1.931 -5.349 -9.744 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -0.502 -5.214 -9.468 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -0.764 -5.532 -11.171 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -1.111 -7.577 -9.746 1.00 1.00 H new ATOM 0 HG3 GLN A 71 0.133 -7.808 -10.959 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -0.081 -6.535 -7.546 1.00 1.00 H new ATOM 0 HE22 GLN A 71 1.387 -7.360 -7.013 1.00 1.00 H new ATOM 1103 N GLU A 72 3.084 -6.719 -11.423 1.00 1.00 N ATOM 1104 CA GLU A 72 3.790 -7.578 -12.369 1.00 1.00 C ATOM 1105 C GLU A 72 3.680 -7.022 -13.791 1.00 1.00 C ATOM 1106 O GLU A 72 3.200 -7.694 -14.702 1.00 1.00 O ATOM 1107 CB GLU A 72 3.206 -8.990 -12.319 1.00 1.00 C ATOM 1108 CG GLU A 72 4.127 -9.960 -13.062 1.00 1.00 C ATOM 1109 CD GLU A 72 3.595 -11.383 -12.928 1.00 1.00 C ATOM 1110 OE1 GLU A 72 2.752 -11.600 -12.075 1.00 1.00 O ATOM 1111 OE2 GLU A 72 4.039 -12.235 -13.681 1.00 1.00 O ATOM 0 H GLU A 72 3.548 -6.620 -10.520 1.00 1.00 H new ATOM 0 HA GLU A 72 4.843 -7.609 -12.090 1.00 1.00 H new ATOM 0 HB2 GLU A 72 3.088 -9.308 -11.283 1.00 1.00 H new ATOM 0 HB3 GLU A 72 2.214 -8.999 -12.770 1.00 1.00 H new ATOM 0 HG2 GLU A 72 4.189 -9.683 -14.114 1.00 1.00 H new ATOM 0 HG3 GLU A 72 5.137 -9.900 -12.656 1.00 1.00 H new ATOM 1229 N ASP A 80 -4.999 -5.172 -12.286 1.00 1.00 N ATOM 1230 CA ASP A 80 -4.094 -5.597 -11.216 1.00 1.00 C ATOM 1231 C ASP A 80 -4.617 -6.877 -10.569 1.00 1.00 C ATOM 1232 O ASP A 80 -3.842 -7.732 -10.142 1.00 1.00 O ATOM 1233 CB ASP A 80 -3.980 -4.498 -10.155 1.00 1.00 C ATOM 1234 CG ASP A 80 -3.160 -3.330 -10.693 1.00 1.00 C ATOM 1235 OD1 ASP A 80 -2.469 -3.520 -11.680 1.00 1.00 O ATOM 1236 OD2 ASP A 80 -3.235 -2.262 -10.108 1.00 1.00 O ATOM 0 HA ASP A 80 -3.110 -5.785 -11.645 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -4.974 -4.153 -9.870 1.00 1.00 H new ATOM 0 HB3 ASP A 80 -3.511 -4.898 -9.256 1.00 1.00 H new ATOM 1241 N ILE A 81 -5.938 -6.995 -10.503 1.00 1.00 N ATOM 1242 CA ILE A 81 -6.568 -8.169 -9.911 1.00 1.00 C ATOM 1243 C ILE A 81 -6.241 -9.421 -10.724 1.00 1.00 C ATOM 1244 O ILE A 81 -5.950 -10.475 -10.164 1.00 1.00 O ATOM 1245 CB ILE A 81 -8.084 -7.965 -9.851 1.00 1.00 C ATOM 1246 CG1 ILE A 81 -8.403 -6.859 -8.843 1.00 1.00 C ATOM 1247 CG2 ILE A 81 -8.770 -9.261 -9.406 1.00 1.00 C ATOM 1248 CD1 ILE A 81 -9.867 -6.439 -8.993 1.00 1.00 C ATOM 0 H ILE A 81 -6.592 -6.294 -10.851 1.00 1.00 H new ATOM 0 HA ILE A 81 -6.181 -8.303 -8.901 1.00 1.00 H new ATOM 0 HB ILE A 81 -8.447 -7.687 -10.840 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -8.217 -7.212 -7.829 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -7.749 -6.003 -9.008 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -9.848 -9.107 -9.366 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -8.543 -10.055 -10.117 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -8.407 -9.544 -8.418 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -10.095 -5.651 -8.275 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -10.038 -6.069 -10.004 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -10.513 -7.297 -8.807 1.00 1.00 H new ATOM 1260 N ALA A 82 -6.306 -9.299 -12.042 1.00 1.00 N ATOM 1261 CA ALA A 82 -6.027 -10.429 -12.921 1.00 1.00 C ATOM 1262 C ALA A 82 -4.763 -11.166 -12.479 1.00 1.00 C ATOM 1263 O ALA A 82 -4.598 -12.351 -12.760 1.00 1.00 O ATOM 1264 CB ALA A 82 -5.855 -9.941 -14.360 1.00 1.00 C ATOM 0 H ALA A 82 -6.548 -8.434 -12.526 1.00 1.00 H new ATOM 0 HA ALA A 82 -6.870 -11.118 -12.866 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -5.647 -10.791 -15.010 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -6.770 -9.448 -14.689 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -5.025 -9.236 -14.408 1.00 1.00 H new ATOM 1270 N SER A 83 -3.875 -10.456 -11.785 1.00 1.00 N ATOM 1271 CA SER A 83 -2.623 -11.049 -11.307 1.00 1.00 C ATOM 1272 C SER A 83 -2.718 -11.365 -9.816 1.00 1.00 C ATOM 1273 O SER A 83 -1.935 -10.858 -9.012 1.00 1.00 O ATOM 1274 CB SER A 83 -1.465 -10.081 -11.564 1.00 1.00 C ATOM 1275 OG SER A 83 -1.062 -10.192 -12.923 1.00 1.00 O ATOM 0 H SER A 83 -3.997 -9.473 -11.541 1.00 1.00 H new ATOM 0 HA SER A 83 -2.444 -11.979 -11.847 1.00 1.00 H new ATOM 0 HB2 SER A 83 -1.773 -9.059 -11.345 1.00 1.00 H new ATOM 0 HB3 SER A 83 -0.629 -10.310 -10.903 1.00 1.00 H new ATOM 0 HG SER A 83 -0.322 -9.574 -13.096 1.00 1.00 H new ATOM 1281 N ASN A 84 -3.680 -12.209 -9.461 1.00 1.00 N ATOM 1282 CA ASN A 84 -3.873 -12.597 -8.067 1.00 1.00 C ATOM 1283 C ASN A 84 -2.912 -13.720 -7.697 1.00 1.00 C ATOM 1284 O ASN A 84 -2.016 -14.061 -8.469 1.00 1.00 O ATOM 1285 CB ASN A 84 -5.313 -13.063 -7.846 1.00 1.00 C ATOM 1286 CG ASN A 84 -6.277 -11.890 -8.005 1.00 1.00 C ATOM 1287 OD1 ASN A 84 -7.428 -12.083 -8.394 1.00 1.00 O ATOM 1288 ND2 ASN A 84 -5.875 -10.678 -7.731 1.00 1.00 N ATOM 0 H ASN A 84 -4.336 -12.636 -10.115 1.00 1.00 H new ATOM 0 HA ASN A 84 -3.674 -11.732 -7.434 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -5.563 -13.848 -8.560 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -5.415 -13.494 -6.850 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -6.515 -9.892 -7.840 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -4.921 -10.518 -7.408 1.00 1.00 H new ATOM 1295 N SER A 85 -3.098 -14.285 -6.510 1.00 1.00 N ATOM 1296 CA SER A 85 -2.234 -15.363 -6.047 1.00 1.00 C ATOM 1297 C SER A 85 -0.818 -14.837 -5.817 1.00 1.00 C ATOM 1298 O SER A 85 0.020 -14.876 -6.719 1.00 1.00 O ATOM 1299 CB SER A 85 -2.214 -16.493 -7.082 1.00 1.00 C ATOM 1300 OG SER A 85 -3.504 -16.617 -7.667 1.00 1.00 O ATOM 0 H SER A 85 -3.833 -14.017 -5.856 1.00 1.00 H new ATOM 0 HA SER A 85 -2.622 -15.751 -5.105 1.00 1.00 H new ATOM 0 HB2 SER A 85 -1.471 -16.283 -7.852 1.00 1.00 H new ATOM 0 HB3 SER A 85 -1.925 -17.431 -6.608 1.00 1.00 H new ATOM 0 HG SER A 85 -4.189 -16.498 -6.977 1.00 1.00 H new ATOM 1306 N GLY A 86 -0.563 -14.328 -4.614 1.00 1.00 N ATOM 1307 CA GLY A 86 0.753 -13.779 -4.303 1.00 1.00 C ATOM 1308 C GLY A 86 1.069 -12.642 -5.268 1.00 1.00 C ATOM 1309 O GLY A 86 1.784 -12.831 -6.252 1.00 1.00 O ATOM 0 H GLY A 86 -1.238 -14.284 -3.851 1.00 1.00 H new ATOM 0 HA2 GLY A 86 0.774 -13.415 -3.276 1.00 1.00 H new ATOM 0 HA3 GLY A 86 1.512 -14.558 -4.381 1.00 1.00 H new ATOM 1313 N CYS A 87 0.496 -11.472 -5.001 1.00 1.00 N ATOM 1314 CA CYS A 87 0.679 -10.309 -5.878 1.00 1.00 C ATOM 1315 C CYS A 87 1.816 -9.406 -5.393 1.00 1.00 C ATOM 1316 O CYS A 87 1.951 -9.146 -4.198 1.00 1.00 O ATOM 1317 CB CYS A 87 -0.640 -9.488 -5.943 1.00 1.00 C ATOM 1318 SG CYS A 87 -2.004 -10.427 -5.200 1.00 1.00 S ATOM 0 H CYS A 87 -0.097 -11.300 -4.189 1.00 1.00 H new ATOM 0 HA CYS A 87 0.941 -10.679 -6.869 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -0.513 -8.541 -5.418 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -0.877 -9.249 -6.980 1.00 1.00 H new ATOM 1323 N LYS A 88 2.605 -8.898 -6.345 1.00 1.00 N ATOM 1324 CA LYS A 88 3.702 -7.982 -6.031 1.00 1.00 C ATOM 1325 C LYS A 88 3.560 -6.725 -6.875 1.00 1.00 C ATOM 1326 O LYS A 88 3.307 -6.801 -8.077 1.00 1.00 O ATOM 1327 CB LYS A 88 5.061 -8.647 -6.292 1.00 1.00 C ATOM 1328 CG LYS A 88 5.267 -8.878 -7.793 1.00 1.00 C ATOM 1329 CD LYS A 88 6.564 -9.657 -8.012 1.00 1.00 C ATOM 1330 CE LYS A 88 6.755 -9.917 -9.507 1.00 1.00 C ATOM 1331 NZ LYS A 88 6.869 -8.616 -10.228 1.00 1.00 N ATOM 0 H LYS A 88 2.503 -9.106 -7.338 1.00 1.00 H new ATOM 0 HA LYS A 88 3.655 -7.720 -4.974 1.00 1.00 H new ATOM 0 HB2 LYS A 88 5.861 -8.018 -5.902 1.00 1.00 H new ATOM 0 HB3 LYS A 88 5.115 -9.597 -5.761 1.00 1.00 H new ATOM 0 HG2 LYS A 88 4.423 -9.431 -8.207 1.00 1.00 H new ATOM 0 HG3 LYS A 88 5.310 -7.923 -8.317 1.00 1.00 H new ATOM 0 HD2 LYS A 88 7.410 -9.094 -7.619 1.00 1.00 H new ATOM 0 HD3 LYS A 88 6.530 -10.601 -7.469 1.00 1.00 H new ATOM 0 HE2 LYS A 88 7.651 -10.516 -9.671 1.00 1.00 H new ATOM 0 HE3 LYS A 88 5.913 -10.489 -9.898 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 7.263 -8.778 -11.177 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 5.927 -8.183 -10.313 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 7.496 -7.979 -9.697 1.00 1.00 H new ATOM 1345 N ILE A 89 3.716 -5.566 -6.237 1.00 1.00 N ATOM 1346 CA ILE A 89 3.598 -4.288 -6.939 1.00 1.00 C ATOM 1347 C ILE A 89 4.840 -3.443 -6.705 1.00 1.00 C ATOM 1348 O ILE A 89 5.590 -3.674 -5.756 1.00 1.00 O ATOM 1349 CB ILE A 89 2.354 -3.523 -6.460 1.00 1.00 C ATOM 1350 CG1 ILE A 89 2.463 -3.199 -4.962 1.00 1.00 C ATOM 1351 CG2 ILE A 89 1.111 -4.383 -6.697 1.00 1.00 C ATOM 1352 CD1 ILE A 89 1.308 -2.285 -4.548 1.00 1.00 C ATOM 0 H ILE A 89 3.923 -5.485 -5.242 1.00 1.00 H new ATOM 0 HA ILE A 89 3.499 -4.491 -8.005 1.00 1.00 H new ATOM 0 HB ILE A 89 2.279 -2.590 -7.019 1.00 1.00 H new ATOM 0 HG12 ILE A 89 2.439 -4.119 -4.378 1.00 1.00 H new ATOM 0 HG13 ILE A 89 3.417 -2.714 -4.753 1.00 1.00 H new ATOM 0 HG21 ILE A 89 0.226 -3.844 -6.359 1.00 1.00 H new ATOM 0 HG22 ILE A 89 1.018 -4.602 -7.761 1.00 1.00 H new ATOM 0 HG23 ILE A 89 1.203 -5.316 -6.141 1.00 1.00 H new ATOM 0 HD11 ILE A 89 1.388 -2.057 -3.485 1.00 1.00 H new ATOM 0 HD12 ILE A 89 1.353 -1.360 -5.122 1.00 1.00 H new ATOM 0 HD13 ILE A 89 0.360 -2.787 -4.741 1.00 1.00 H new ATOM 1364 N ARG A 90 5.042 -2.454 -7.568 1.00 1.00 N ATOM 1365 CA ARG A 90 6.189 -1.555 -7.450 1.00 1.00 C ATOM 1366 C ARG A 90 5.711 -0.112 -7.449 1.00 1.00 C ATOM 1367 O ARG A 90 4.815 0.257 -8.211 1.00 1.00 O ATOM 1368 CB ARG A 90 7.161 -1.774 -8.613 1.00 1.00 C ATOM 1369 CG ARG A 90 7.654 -3.245 -8.631 1.00 1.00 C ATOM 1370 CD ARG A 90 6.824 -4.068 -9.623 1.00 1.00 C ATOM 1371 NE ARG A 90 7.070 -3.592 -10.981 1.00 1.00 N ATOM 1372 CZ ARG A 90 8.086 -4.058 -11.703 1.00 1.00 C ATOM 1373 NH1 ARG A 90 8.854 -4.998 -11.222 1.00 1.00 N ATOM 1374 NH2 ARG A 90 8.316 -3.574 -12.894 1.00 1.00 N ATOM 0 H ARG A 90 4.428 -2.253 -8.357 1.00 1.00 H new ATOM 0 HA ARG A 90 6.706 -1.768 -6.515 1.00 1.00 H new ATOM 0 HB2 ARG A 90 6.670 -1.536 -9.557 1.00 1.00 H new ATOM 0 HB3 ARG A 90 8.012 -1.099 -8.517 1.00 1.00 H new ATOM 0 HG2 ARG A 90 8.707 -3.280 -8.910 1.00 1.00 H new ATOM 0 HG3 ARG A 90 7.574 -3.676 -7.633 1.00 1.00 H new ATOM 0 HD2 ARG A 90 7.086 -5.123 -9.544 1.00 1.00 H new ATOM 0 HD3 ARG A 90 5.764 -3.983 -9.384 1.00 1.00 H new ATOM 0 HE ARG A 90 6.451 -2.889 -11.384 1.00 1.00 H new ATOM 0 HH11 ARG A 90 8.676 -5.376 -10.292 1.00 1.00 H new ATOM 0 HH12 ARG A 90 9.632 -5.354 -11.777 1.00 1.00 H new ATOM 0 HH21 ARG A 90 7.717 -2.839 -13.270 1.00 1.00 H new ATOM 0 HH22 ARG A 90 9.095 -3.931 -13.448 1.00 1.00 H new ATOM 1388 N VAL A 91 6.304 0.698 -6.579 1.00 1.00 N ATOM 1389 CA VAL A 91 5.932 2.108 -6.459 1.00 1.00 C ATOM 1390 C VAL A 91 7.113 3.002 -6.814 1.00 1.00 C ATOM 1391 O VAL A 91 8.235 2.786 -6.351 1.00 1.00 O ATOM 1392 CB VAL A 91 5.500 2.397 -5.020 1.00 1.00 C ATOM 1393 CG1 VAL A 91 5.299 3.903 -4.817 1.00 1.00 C ATOM 1394 CG2 VAL A 91 4.194 1.658 -4.723 1.00 1.00 C ATOM 0 H VAL A 91 7.046 0.404 -5.944 1.00 1.00 H new ATOM 0 HA VAL A 91 5.111 2.314 -7.146 1.00 1.00 H new ATOM 0 HB VAL A 91 6.279 2.053 -4.339 1.00 1.00 H new ATOM 0 HG11 VAL A 91 4.992 4.094 -3.789 1.00 1.00 H new ATOM 0 HG12 VAL A 91 6.234 4.425 -5.019 1.00 1.00 H new ATOM 0 HG13 VAL A 91 4.528 4.262 -5.499 1.00 1.00 H new ATOM 0 HG21 VAL A 91 3.885 1.863 -3.698 1.00 1.00 H new ATOM 0 HG22 VAL A 91 3.419 1.998 -5.410 1.00 1.00 H new ATOM 0 HG23 VAL A 91 4.346 0.586 -4.849 1.00 1.00 H new ATOM 1404 N GLN A 92 6.846 4.017 -7.627 1.00 1.00 N ATOM 1405 CA GLN A 92 7.877 4.967 -8.042 1.00 1.00 C ATOM 1406 C GLN A 92 7.330 6.388 -7.988 1.00 1.00 C ATOM 1407 O GLN A 92 6.219 6.651 -8.447 1.00 1.00 O ATOM 1408 CB GLN A 92 8.334 4.650 -9.468 1.00 1.00 C ATOM 1409 CG GLN A 92 9.482 5.585 -9.856 1.00 1.00 C ATOM 1410 CD GLN A 92 9.995 5.237 -11.249 1.00 1.00 C ATOM 1411 OE1 GLN A 92 9.205 5.043 -12.172 1.00 1.00 O ATOM 1412 NE2 GLN A 92 11.280 5.147 -11.452 1.00 1.00 N ATOM 0 H GLN A 92 5.922 4.206 -8.014 1.00 1.00 H new ATOM 0 HA GLN A 92 8.726 4.883 -7.363 1.00 1.00 H new ATOM 0 HB2 GLN A 92 8.658 3.612 -9.535 1.00 1.00 H new ATOM 0 HB3 GLN A 92 7.503 4.770 -10.163 1.00 1.00 H new ATOM 0 HG2 GLN A 92 9.141 6.620 -9.834 1.00 1.00 H new ATOM 0 HG3 GLN A 92 10.291 5.500 -9.131 1.00 1.00 H new ATOM 0 HE21 GLN A 92 11.930 5.309 -10.683 1.00 1.00 H new ATOM 0 HE22 GLN A 92 11.635 4.915 -12.380 1.00 1.00 H new ATOM 1421 N GLY A 93 8.118 7.307 -7.425 1.00 1.00 N ATOM 1422 CA GLY A 93 7.706 8.710 -7.316 1.00 1.00 C ATOM 1423 C GLY A 93 7.735 9.165 -5.864 1.00 1.00 C ATOM 1424 O GLY A 93 8.415 8.574 -5.034 1.00 1.00 O ATOM 0 H GLY A 93 9.041 7.107 -7.039 1.00 1.00 H new ATOM 0 HA2 GLY A 93 8.369 9.337 -7.913 1.00 1.00 H new ATOM 0 HA3 GLY A 93 6.702 8.832 -7.721 1.00 1.00 H new ATOM 1483 N ARG A 97 12.394 6.697 -4.172 1.00 1.00 N ATOM 1484 CA ARG A 97 12.896 6.394 -5.506 1.00 1.00 C ATOM 1485 C ARG A 97 12.244 5.123 -6.046 1.00 1.00 C ATOM 1486 O ARG A 97 11.819 5.077 -7.200 1.00 1.00 O ATOM 1487 CB ARG A 97 14.422 6.252 -5.482 1.00 1.00 C ATOM 1488 CG ARG A 97 14.821 5.012 -4.681 1.00 1.00 C ATOM 1489 CD ARG A 97 16.339 4.977 -4.508 1.00 1.00 C ATOM 1490 NE ARG A 97 16.722 3.763 -3.794 1.00 1.00 N ATOM 1491 CZ ARG A 97 16.764 3.724 -2.464 1.00 1.00 C ATOM 1492 NH1 ARG A 97 16.514 4.799 -1.766 1.00 1.00 N ATOM 1493 NH2 ARG A 97 17.056 2.607 -1.856 1.00 1.00 N ATOM 0 HA ARG A 97 12.638 7.219 -6.170 1.00 1.00 H new ATOM 0 HB2 ARG A 97 14.804 6.176 -6.500 1.00 1.00 H new ATOM 0 HB3 ARG A 97 14.871 7.141 -5.039 1.00 1.00 H new ATOM 0 HG2 ARG A 97 14.334 5.025 -3.706 1.00 1.00 H new ATOM 0 HG3 ARG A 97 14.483 4.112 -5.194 1.00 1.00 H new ATOM 0 HD2 ARG A 97 16.827 5.007 -5.482 1.00 1.00 H new ATOM 0 HD3 ARG A 97 16.673 5.856 -3.957 1.00 1.00 H new ATOM 0 HE ARG A 97 16.963 2.926 -4.326 1.00 1.00 H new ATOM 0 HH11 ARG A 97 16.285 5.673 -2.240 1.00 1.00 H new ATOM 0 HH12 ARG A 97 16.547 4.765 -0.747 1.00 1.00 H new ATOM 0 HH21 ARG A 97 17.251 1.766 -2.400 1.00 1.00 H new ATOM 0 HH22 ARG A 97 17.089 2.574 -0.837 1.00 1.00 H new ATOM 1507 N GLU A 98 12.160 4.098 -5.199 1.00 1.00 N ATOM 1508 CA GLU A 98 11.552 2.832 -5.594 1.00 1.00 C ATOM 1509 C GLU A 98 11.471 1.884 -4.400 1.00 1.00 C ATOM 1510 O GLU A 98 12.477 1.608 -3.744 1.00 1.00 O ATOM 1511 CB GLU A 98 12.372 2.176 -6.714 1.00 1.00 C ATOM 1512 CG GLU A 98 11.687 0.883 -7.166 1.00 1.00 C ATOM 1513 CD GLU A 98 12.451 0.273 -8.336 1.00 1.00 C ATOM 1514 OE1 GLU A 98 13.264 0.972 -8.918 1.00 1.00 O ATOM 1515 OE2 GLU A 98 12.211 -0.886 -8.634 1.00 1.00 O ATOM 0 H GLU A 98 12.504 4.121 -4.239 1.00 1.00 H new ATOM 0 HA GLU A 98 10.544 3.035 -5.957 1.00 1.00 H new ATOM 0 HB2 GLU A 98 12.469 2.861 -7.556 1.00 1.00 H new ATOM 0 HB3 GLU A 98 13.380 1.960 -6.361 1.00 1.00 H new ATOM 0 HG2 GLU A 98 11.645 0.175 -6.339 1.00 1.00 H new ATOM 0 HG3 GLU A 98 10.658 1.090 -7.460 1.00 1.00 H new ATOM 1522 N ARG A 99 10.269 1.380 -4.133 1.00 1.00 N ATOM 1523 CA ARG A 99 10.047 0.446 -3.026 1.00 1.00 C ATOM 1524 C ARG A 99 9.114 -0.675 -3.488 1.00 1.00 C ATOM 1525 O ARG A 99 8.008 -0.410 -3.955 1.00 1.00 O ATOM 1526 CB ARG A 99 9.413 1.183 -1.840 1.00 1.00 C ATOM 1527 CG ARG A 99 10.420 2.164 -1.232 1.00 1.00 C ATOM 1528 CD ARG A 99 9.758 2.913 -0.072 1.00 1.00 C ATOM 1529 NE ARG A 99 10.695 3.858 0.530 1.00 1.00 N ATOM 1530 CZ ARG A 99 10.459 4.390 1.727 1.00 1.00 C ATOM 1531 NH1 ARG A 99 9.376 4.071 2.382 1.00 1.00 N ATOM 1532 NH2 ARG A 99 11.309 5.234 2.245 1.00 1.00 N ATOM 0 H ARG A 99 9.430 1.602 -4.668 1.00 1.00 H new ATOM 0 HA ARG A 99 11.002 0.024 -2.715 1.00 1.00 H new ATOM 0 HB2 ARG A 99 8.523 1.720 -2.169 1.00 1.00 H new ATOM 0 HB3 ARG A 99 9.091 0.465 -1.085 1.00 1.00 H new ATOM 0 HG2 ARG A 99 11.300 1.627 -0.878 1.00 1.00 H new ATOM 0 HG3 ARG A 99 10.760 2.870 -1.989 1.00 1.00 H new ATOM 0 HD2 ARG A 99 8.877 3.445 -0.431 1.00 1.00 H new ATOM 0 HD3 ARG A 99 9.417 2.202 0.680 1.00 1.00 H new ATOM 0 HE ARG A 99 11.543 4.114 0.025 1.00 1.00 H new ATOM 0 HH11 ARG A 99 8.710 3.414 1.977 1.00 1.00 H new ATOM 0 HH12 ARG A 99 9.196 4.479 3.299 1.00 1.00 H new ATOM 0 HH21 ARG A 99 12.154 5.486 1.733 1.00 1.00 H new ATOM 0 HH22 ARG A 99 11.128 5.642 3.162 1.00 1.00 H new ATOM 1546 N ARG A 100 9.564 -1.926 -3.364 1.00 1.00 N ATOM 1547 CA ARG A 100 8.750 -3.070 -3.786 1.00 1.00 C ATOM 1548 C ARG A 100 7.875 -3.576 -2.645 1.00 1.00 C ATOM 1549 O ARG A 100 8.229 -3.450 -1.472 1.00 1.00 O ATOM 1550 CB ARG A 100 9.644 -4.204 -4.292 1.00 1.00 C ATOM 1551 CG ARG A 100 10.283 -3.795 -5.618 1.00 1.00 C ATOM 1552 CD ARG A 100 11.194 -4.918 -6.122 1.00 1.00 C ATOM 1553 NE ARG A 100 10.405 -6.091 -6.478 1.00 1.00 N ATOM 1554 CZ ARG A 100 10.981 -7.171 -6.997 1.00 1.00 C ATOM 1555 NH1 ARG A 100 12.238 -7.132 -7.353 1.00 1.00 N ATOM 1556 NH2 ARG A 100 10.283 -8.257 -7.189 1.00 1.00 N ATOM 0 H ARG A 100 10.476 -2.172 -2.980 1.00 1.00 H new ATOM 0 HA ARG A 100 8.102 -2.734 -4.595 1.00 1.00 H new ATOM 0 HB2 ARG A 100 10.417 -4.428 -3.557 1.00 1.00 H new ATOM 0 HB3 ARG A 100 9.057 -5.113 -4.424 1.00 1.00 H new ATOM 0 HG2 ARG A 100 9.509 -3.584 -6.356 1.00 1.00 H new ATOM 0 HG3 ARG A 100 10.858 -2.878 -5.488 1.00 1.00 H new ATOM 0 HD2 ARG A 100 11.759 -4.575 -6.989 1.00 1.00 H new ATOM 0 HD3 ARG A 100 11.919 -5.180 -5.352 1.00 1.00 H new ATOM 0 HE ARG A 100 9.396 -6.083 -6.327 1.00 1.00 H new ATOM 0 HH11 ARG A 100 12.776 -6.274 -7.232 1.00 1.00 H new ATOM 0 HH12 ARG A 100 12.681 -7.960 -7.751 1.00 1.00 H new ATOM 0 HH21 ARG A 100 9.294 -8.278 -6.941 1.00 1.00 H new ATOM 0 HH22 ARG A 100 10.727 -9.085 -7.587 1.00 1.00 H new ATOM 1570 N PHE A 101 6.725 -4.154 -3.000 1.00 1.00 N ATOM 1571 CA PHE A 101 5.789 -4.682 -2.008 1.00 1.00 C ATOM 1572 C PHE A 101 5.262 -6.043 -2.451 1.00 1.00 C ATOM 1573 O PHE A 101 5.130 -6.307 -3.646 1.00 1.00 O ATOM 1574 CB PHE A 101 4.619 -3.712 -1.831 1.00 1.00 C ATOM 1575 CG PHE A 101 5.142 -2.357 -1.402 1.00 1.00 C ATOM 1576 CD1 PHE A 101 5.715 -2.201 -0.133 1.00 1.00 C ATOM 1577 CD2 PHE A 101 5.047 -1.258 -2.265 1.00 1.00 C ATOM 1578 CE1 PHE A 101 6.195 -0.948 0.269 1.00 1.00 C ATOM 1579 CE2 PHE A 101 5.527 -0.006 -1.862 1.00 1.00 C ATOM 1580 CZ PHE A 101 6.101 0.148 -0.595 1.00 1.00 C ATOM 0 H PHE A 101 6.421 -4.268 -3.967 1.00 1.00 H new ATOM 0 HA PHE A 101 6.312 -4.796 -1.059 1.00 1.00 H new ATOM 0 HB2 PHE A 101 4.065 -3.620 -2.765 1.00 1.00 H new ATOM 0 HB3 PHE A 101 3.924 -4.097 -1.085 1.00 1.00 H new ATOM 0 HD1 PHE A 101 5.787 -3.047 0.535 1.00 1.00 H new ATOM 0 HD2 PHE A 101 4.603 -1.376 -3.242 1.00 1.00 H new ATOM 0 HE1 PHE A 101 6.638 -0.828 1.247 1.00 1.00 H new ATOM 0 HE2 PHE A 101 5.454 0.841 -2.529 1.00 1.00 H new ATOM 0 HZ PHE A 101 6.472 1.114 -0.284 1.00 1.00 H new ATOM 1590 N GLU A 102 4.962 -6.908 -1.482 1.00 1.00 N ATOM 1591 CA GLU A 102 4.447 -8.246 -1.786 1.00 1.00 C ATOM 1592 C GLU A 102 3.279 -8.597 -0.869 1.00 1.00 C ATOM 1593 O GLU A 102 3.259 -8.224 0.302 1.00 1.00 O ATOM 1594 CB GLU A 102 5.570 -9.278 -1.626 1.00 1.00 C ATOM 1595 CG GLU A 102 5.053 -10.666 -2.017 1.00 1.00 C ATOM 1596 CD GLU A 102 6.183 -11.686 -1.925 1.00 1.00 C ATOM 1597 OE1 GLU A 102 7.215 -11.351 -1.367 1.00 1.00 O ATOM 1598 OE2 GLU A 102 6.002 -12.790 -2.415 1.00 1.00 O ATOM 0 H GLU A 102 5.065 -6.710 -0.487 1.00 1.00 H new ATOM 0 HA GLU A 102 4.088 -8.257 -2.815 1.00 1.00 H new ATOM 0 HB2 GLU A 102 6.420 -9.006 -2.252 1.00 1.00 H new ATOM 0 HB3 GLU A 102 5.924 -9.288 -0.595 1.00 1.00 H new ATOM 0 HG2 GLU A 102 4.234 -10.957 -1.359 1.00 1.00 H new ATOM 0 HG3 GLU A 102 4.654 -10.643 -3.031 1.00 1.00 H new ATOM 1605 N ILE A 103 2.302 -9.321 -1.418 1.00 1.00 N ATOM 1606 CA ILE A 103 1.118 -9.735 -0.661 1.00 1.00 C ATOM 1607 C ILE A 103 0.911 -11.243 -0.843 1.00 1.00 C ATOM 1608 O ILE A 103 0.249 -11.659 -1.792 1.00 1.00 O ATOM 1609 CB ILE A 103 -0.130 -8.993 -1.172 1.00 1.00 C ATOM 1610 CG1 ILE A 103 0.144 -7.478 -1.303 1.00 1.00 C ATOM 1611 CG2 ILE A 103 -1.302 -9.227 -0.209 1.00 1.00 C ATOM 1612 CD1 ILE A 103 0.097 -6.782 0.066 1.00 1.00 C ATOM 0 H ILE A 103 2.307 -9.634 -2.389 1.00 1.00 H new ATOM 0 HA ILE A 103 1.268 -9.497 0.392 1.00 1.00 H new ATOM 0 HB ILE A 103 -0.383 -9.383 -2.158 1.00 1.00 H new ATOM 0 HG12 ILE A 103 1.121 -7.321 -1.760 1.00 1.00 H new ATOM 0 HG13 ILE A 103 -0.594 -7.029 -1.967 1.00 1.00 H new ATOM 0 HG21 ILE A 103 -2.184 -8.700 -0.574 1.00 1.00 H new ATOM 0 HG22 ILE A 103 -1.516 -10.294 -0.149 1.00 1.00 H new ATOM 0 HG23 ILE A 103 -1.040 -8.853 0.781 1.00 1.00 H new ATOM 0 HD11 ILE A 103 0.294 -5.717 -0.060 1.00 1.00 H new ATOM 0 HD12 ILE A 103 -0.889 -6.919 0.510 1.00 1.00 H new ATOM 0 HD13 ILE A 103 0.853 -7.216 0.721 1.00 1.00 H new ATOM 1624 N PRO A 104 1.479 -12.078 0.008 1.00 1.00 N ATOM 1625 CA PRO A 104 1.343 -13.559 -0.138 1.00 1.00 C ATOM 1626 C PRO A 104 -0.082 -14.051 0.122 1.00 1.00 C ATOM 1627 O PRO A 104 -0.443 -15.160 -0.272 1.00 1.00 O ATOM 1628 CB PRO A 104 2.343 -14.129 0.884 1.00 1.00 C ATOM 1629 CG PRO A 104 2.505 -13.055 1.915 1.00 1.00 C ATOM 1630 CD PRO A 104 2.294 -11.721 1.192 1.00 1.00 C ATOM 0 HA PRO A 104 1.552 -13.886 -1.157 1.00 1.00 H new ATOM 0 HB2 PRO A 104 1.968 -15.050 1.330 1.00 1.00 H new ATOM 0 HB3 PRO A 104 3.296 -14.368 0.412 1.00 1.00 H new ATOM 0 HG2 PRO A 104 1.781 -13.178 2.720 1.00 1.00 H new ATOM 0 HG3 PRO A 104 3.496 -13.098 2.368 1.00 1.00 H new ATOM 0 HD2 PRO A 104 1.780 -11.000 1.827 1.00 1.00 H new ATOM 0 HD3 PRO A 104 3.243 -11.270 0.902 1.00 1.00 H new ATOM 1638 N ASP A 105 -0.890 -13.223 0.776 1.00 1.00 N ATOM 1639 CA ASP A 105 -2.275 -13.591 1.067 1.00 1.00 C ATOM 1640 C ASP A 105 -3.172 -13.167 -0.088 1.00 1.00 C ATOM 1641 O ASP A 105 -3.399 -11.980 -0.307 1.00 1.00 O ATOM 1642 CB ASP A 105 -2.729 -12.919 2.365 1.00 1.00 C ATOM 1643 CG ASP A 105 -2.057 -13.591 3.559 1.00 1.00 C ATOM 1644 OD1 ASP A 105 -1.520 -14.673 3.382 1.00 1.00 O ATOM 1645 OD2 ASP A 105 -2.090 -13.016 4.634 1.00 1.00 O ATOM 0 H ASP A 105 -0.615 -12.300 1.113 1.00 1.00 H new ATOM 0 HA ASP A 105 -2.343 -14.672 1.189 1.00 1.00 H new ATOM 0 HB2 ASP A 105 -2.477 -11.859 2.344 1.00 1.00 H new ATOM 0 HB3 ASP A 105 -3.813 -12.987 2.460 1.00 1.00 H new ATOM 1650 N GLU A 106 -3.655 -14.152 -0.839 1.00 1.00 N ATOM 1651 CA GLU A 106 -4.501 -13.884 -2.000 1.00 1.00 C ATOM 1652 C GLU A 106 -5.830 -13.248 -1.606 1.00 1.00 C ATOM 1653 O GLU A 106 -6.198 -12.207 -2.139 1.00 1.00 O ATOM 1654 CB GLU A 106 -4.758 -15.193 -2.751 1.00 1.00 C ATOM 1655 CG GLU A 106 -5.572 -14.918 -4.018 1.00 1.00 C ATOM 1656 CD GLU A 106 -5.747 -16.209 -4.808 1.00 1.00 C ATOM 1657 OE1 GLU A 106 -5.447 -17.259 -4.262 1.00 1.00 O ATOM 1658 OE2 GLU A 106 -6.178 -16.132 -5.946 1.00 1.00 O ATOM 0 H GLU A 106 -3.476 -15.141 -0.666 1.00 1.00 H new ATOM 0 HA GLU A 106 -3.976 -13.176 -2.641 1.00 1.00 H new ATOM 0 HB2 GLU A 106 -3.810 -15.664 -3.013 1.00 1.00 H new ATOM 0 HB3 GLU A 106 -5.294 -15.891 -2.109 1.00 1.00 H new ATOM 0 HG2 GLU A 106 -6.547 -14.508 -3.753 1.00 1.00 H new ATOM 0 HG3 GLU A 106 -5.067 -14.171 -4.631 1.00 1.00 H new ATOM 1665 N GLU A 107 -6.552 -13.874 -0.686 1.00 1.00 N ATOM 1666 CA GLU A 107 -7.844 -13.340 -0.269 1.00 1.00 C ATOM 1667 C GLU A 107 -7.711 -11.881 0.159 1.00 1.00 C ATOM 1668 O GLU A 107 -8.558 -11.051 -0.170 1.00 1.00 O ATOM 1669 CB GLU A 107 -8.426 -14.181 0.872 1.00 1.00 C ATOM 1670 CG GLU A 107 -7.480 -14.171 2.076 1.00 1.00 C ATOM 1671 CD GLU A 107 -8.025 -15.088 3.165 1.00 1.00 C ATOM 1672 OE1 GLU A 107 -9.142 -15.555 3.014 1.00 1.00 O ATOM 1673 OE2 GLU A 107 -7.316 -15.314 4.133 1.00 1.00 O ATOM 0 H GLU A 107 -6.273 -14.737 -0.220 1.00 1.00 H new ATOM 0 HA GLU A 107 -8.525 -13.387 -1.118 1.00 1.00 H new ATOM 0 HB2 GLU A 107 -9.400 -13.787 1.163 1.00 1.00 H new ATOM 0 HB3 GLU A 107 -8.584 -15.205 0.534 1.00 1.00 H new ATOM 0 HG2 GLU A 107 -6.486 -14.501 1.773 1.00 1.00 H new ATOM 0 HG3 GLU A 107 -7.375 -13.156 2.460 1.00 1.00 H new ATOM 1680 N HIS A 108 -6.639 -11.572 0.875 1.00 1.00 N ATOM 1681 CA HIS A 108 -6.404 -10.205 1.320 1.00 1.00 C ATOM 1682 C HIS A 108 -5.977 -9.329 0.145 1.00 1.00 C ATOM 1683 O HIS A 108 -6.329 -8.153 0.073 1.00 1.00 O ATOM 1684 CB HIS A 108 -5.311 -10.182 2.390 1.00 1.00 C ATOM 1685 CG HIS A 108 -5.832 -10.746 3.689 1.00 1.00 C ATOM 1686 ND1 HIS A 108 -7.085 -11.152 4.091 1.00 1.00 N flip ATOM 1687 CD2 HIS A 108 -5.006 -10.943 4.784 1.00 1.00 C flip ATOM 1688 CE1 HIS A 108 -7.033 -11.591 5.411 1.00 1.00 C flip ATOM 1689 NE2 HIS A 108 -5.758 -11.444 5.779 1.00 1.00 N flip ATOM 0 H HIS A 108 -5.924 -12.242 1.158 1.00 1.00 H new ATOM 0 HA HIS A 108 -7.332 -9.816 1.739 1.00 1.00 H new ATOM 0 HB2 HIS A 108 -4.452 -10.762 2.053 1.00 1.00 H new ATOM 0 HB3 HIS A 108 -4.965 -9.160 2.543 1.00 1.00 H new ATOM 0 HD2 HIS A 108 -3.948 -10.732 4.830 1.00 1.00 H new ATOM 0 HE1 HIS A 108 -7.849 -11.969 6.009 1.00 1.00 H new ATOM 0 HE2 HIS A 108 -5.398 -11.683 6.703 1.00 1.00 H new ATOM 1697 N CYS A 109 -5.209 -9.913 -0.770 1.00 1.00 N ATOM 1698 CA CYS A 109 -4.722 -9.178 -1.933 1.00 1.00 C ATOM 1699 C CYS A 109 -5.881 -8.669 -2.778 1.00 1.00 C ATOM 1700 O CYS A 109 -5.797 -7.601 -3.380 1.00 1.00 O ATOM 1701 CB CYS A 109 -3.818 -10.080 -2.784 1.00 1.00 C ATOM 1702 SG CYS A 109 -2.943 -9.078 -4.017 1.00 1.00 S ATOM 0 H CYS A 109 -4.912 -10.888 -0.730 1.00 1.00 H new ATOM 0 HA CYS A 109 -4.149 -8.321 -1.579 1.00 1.00 H new ATOM 0 HB2 CYS A 109 -3.101 -10.598 -2.147 1.00 1.00 H new ATOM 0 HB3 CYS A 109 -4.415 -10.845 -3.280 1.00 1.00 H new ATOM 1707 N LEU A 110 -6.959 -9.436 -2.835 1.00 1.00 N ATOM 1708 CA LEU A 110 -8.108 -9.035 -3.635 1.00 1.00 C ATOM 1709 C LEU A 110 -8.713 -7.745 -3.123 1.00 1.00 C ATOM 1710 O LEU A 110 -9.047 -6.854 -3.905 1.00 1.00 O ATOM 1711 CB LEU A 110 -9.182 -10.117 -3.590 1.00 1.00 C ATOM 1712 CG LEU A 110 -8.674 -11.405 -4.245 1.00 1.00 C ATOM 1713 CD1 LEU A 110 -9.742 -12.493 -4.098 1.00 1.00 C ATOM 1714 CD2 LEU A 110 -8.374 -11.160 -5.735 1.00 1.00 C ATOM 0 H LEU A 110 -7.063 -10.325 -2.346 1.00 1.00 H new ATOM 0 HA LEU A 110 -7.757 -8.887 -4.656 1.00 1.00 H new ATOM 0 HB2 LEU A 110 -9.464 -10.315 -2.556 1.00 1.00 H new ATOM 0 HB3 LEU A 110 -10.078 -9.770 -4.104 1.00 1.00 H new ATOM 0 HG LEU A 110 -7.754 -11.724 -3.755 1.00 1.00 H new ATOM 0 HD11 LEU A 110 -9.389 -13.414 -4.562 1.00 1.00 H new ATOM 0 HD12 LEU A 110 -9.937 -12.671 -3.040 1.00 1.00 H new ATOM 0 HD13 LEU A 110 -10.661 -12.169 -4.587 1.00 1.00 H new ATOM 0 HD21 LEU A 110 -8.014 -12.083 -6.190 1.00 1.00 H new ATOM 0 HD22 LEU A 110 -9.284 -10.837 -6.241 1.00 1.00 H new ATOM 0 HD23 LEU A 110 -7.612 -10.387 -5.830 1.00 1.00 H new ATOM 1726 N LYS A 111 -8.871 -7.646 -1.813 1.00 1.00 N ATOM 1727 CA LYS A 111 -9.454 -6.449 -1.243 1.00 1.00 C ATOM 1728 C LYS A 111 -8.522 -5.262 -1.447 1.00 1.00 C ATOM 1729 O LYS A 111 -8.954 -4.165 -1.802 1.00 1.00 O ATOM 1730 CB LYS A 111 -9.721 -6.637 0.250 1.00 1.00 C ATOM 1731 CG LYS A 111 -10.833 -7.665 0.445 1.00 1.00 C ATOM 1732 CD LYS A 111 -11.080 -7.874 1.937 1.00 1.00 C ATOM 1733 CE LYS A 111 -12.180 -8.917 2.121 1.00 1.00 C ATOM 1734 NZ LYS A 111 -12.410 -9.153 3.575 1.00 1.00 N ATOM 0 H LYS A 111 -8.609 -8.365 -1.139 1.00 1.00 H new ATOM 0 HA LYS A 111 -10.400 -6.257 -1.749 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -8.813 -6.969 0.753 1.00 1.00 H new ATOM 0 HB3 LYS A 111 -10.007 -5.687 0.701 1.00 1.00 H new ATOM 0 HG2 LYS A 111 -11.747 -7.324 -0.041 1.00 1.00 H new ATOM 0 HG3 LYS A 111 -10.556 -8.609 -0.024 1.00 1.00 H new ATOM 0 HD2 LYS A 111 -10.164 -8.204 2.427 1.00 1.00 H new ATOM 0 HD3 LYS A 111 -11.371 -6.934 2.405 1.00 1.00 H new ATOM 0 HE2 LYS A 111 -13.101 -8.576 1.648 1.00 1.00 H new ATOM 0 HE3 LYS A 111 -11.897 -9.849 1.632 1.00 1.00 H new ATOM 0 HZ1 LYS A 111 -13.159 -9.864 3.697 1.00 1.00 H new ATOM 0 HZ2 LYS A 111 -11.532 -9.497 4.014 1.00 1.00 H new ATOM 0 HZ3 LYS A 111 -12.699 -8.263 4.030 1.00 1.00 H new ATOM 1748 N PHE A 112 -7.239 -5.501 -1.206 1.00 1.00 N ATOM 1749 CA PHE A 112 -6.223 -4.465 -1.346 1.00 1.00 C ATOM 1750 C PHE A 112 -6.171 -3.927 -2.773 1.00 1.00 C ATOM 1751 O PHE A 112 -6.162 -2.713 -2.986 1.00 1.00 O ATOM 1752 CB PHE A 112 -4.857 -5.058 -0.960 1.00 1.00 C ATOM 1753 CG PHE A 112 -3.732 -4.138 -1.388 1.00 1.00 C ATOM 1754 CD1 PHE A 112 -3.550 -2.905 -0.752 1.00 1.00 C ATOM 1755 CD2 PHE A 112 -2.872 -4.523 -2.426 1.00 1.00 C ATOM 1756 CE1 PHE A 112 -2.511 -2.058 -1.154 1.00 1.00 C ATOM 1757 CE2 PHE A 112 -1.837 -3.674 -2.828 1.00 1.00 C ATOM 1758 CZ PHE A 112 -1.655 -2.442 -2.193 1.00 1.00 C ATOM 0 H PHE A 112 -6.876 -6.408 -0.911 1.00 1.00 H new ATOM 0 HA PHE A 112 -6.475 -3.633 -0.688 1.00 1.00 H new ATOM 0 HB2 PHE A 112 -4.815 -5.215 0.118 1.00 1.00 H new ATOM 0 HB3 PHE A 112 -4.733 -6.034 -1.429 1.00 1.00 H new ATOM 0 HD1 PHE A 112 -4.211 -2.607 0.049 1.00 1.00 H new ATOM 0 HD2 PHE A 112 -3.009 -5.476 -2.915 1.00 1.00 H new ATOM 0 HE1 PHE A 112 -2.369 -1.107 -0.662 1.00 1.00 H new ATOM 0 HE2 PHE A 112 -1.177 -3.970 -3.630 1.00 1.00 H new ATOM 0 HZ PHE A 112 -0.855 -1.787 -2.504 1.00 1.00 H new ATOM 1768 N LEU A 113 -6.116 -4.829 -3.744 1.00 1.00 N ATOM 1769 CA LEU A 113 -6.040 -4.414 -5.136 1.00 1.00 C ATOM 1770 C LEU A 113 -7.318 -3.701 -5.572 1.00 1.00 C ATOM 1771 O LEU A 113 -7.266 -2.699 -6.284 1.00 1.00 O ATOM 1772 CB LEU A 113 -5.780 -5.628 -6.026 1.00 1.00 C ATOM 1773 CG LEU A 113 -4.379 -6.191 -5.736 1.00 1.00 C ATOM 1774 CD1 LEU A 113 -4.201 -7.505 -6.503 1.00 1.00 C ATOM 1775 CD2 LEU A 113 -3.286 -5.180 -6.156 1.00 1.00 C ATOM 0 H LEU A 113 -6.122 -5.838 -3.596 1.00 1.00 H new ATOM 0 HA LEU A 113 -5.214 -3.710 -5.238 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -6.535 -6.393 -5.844 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -5.859 -5.345 -7.076 1.00 1.00 H new ATOM 0 HG LEU A 113 -4.280 -6.371 -4.666 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -3.210 -7.912 -6.303 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -4.958 -8.220 -6.181 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -4.308 -7.320 -7.572 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -2.302 -5.598 -5.942 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -3.370 -4.976 -7.224 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -3.415 -4.252 -5.599 1.00 1.00 H new ATOM 1787 N SER A 114 -8.463 -4.225 -5.151 1.00 1.00 N ATOM 1788 CA SER A 114 -9.742 -3.625 -5.516 1.00 1.00 C ATOM 1789 C SER A 114 -9.873 -2.214 -4.948 1.00 1.00 C ATOM 1790 O SER A 114 -10.316 -1.297 -5.640 1.00 1.00 O ATOM 1791 CB SER A 114 -10.888 -4.494 -4.996 1.00 1.00 C ATOM 1792 OG SER A 114 -12.128 -3.914 -5.380 1.00 1.00 O ATOM 0 H SER A 114 -8.533 -5.055 -4.563 1.00 1.00 H new ATOM 0 HA SER A 114 -9.789 -3.563 -6.603 1.00 1.00 H new ATOM 0 HB2 SER A 114 -10.806 -5.504 -5.398 1.00 1.00 H new ATOM 0 HB3 SER A 114 -10.833 -4.578 -3.911 1.00 1.00 H new ATOM 0 HG SER A 114 -12.865 -4.469 -5.050 1.00 1.00 H new ATOM 1798 N ALA A 115 -9.502 -2.050 -3.682 1.00 1.00 N ATOM 1799 CA ALA A 115 -9.600 -0.748 -3.026 1.00 1.00 C ATOM 1800 C ALA A 115 -8.643 0.269 -3.658 1.00 1.00 C ATOM 1801 O ALA A 115 -9.045 1.378 -4.008 1.00 1.00 O ATOM 1802 CB ALA A 115 -9.300 -0.905 -1.524 1.00 1.00 C ATOM 0 H ALA A 115 -9.133 -2.796 -3.092 1.00 1.00 H new ATOM 0 HA ALA A 115 -10.614 -0.371 -3.157 1.00 1.00 H new ATOM 0 HB1 ALA A 115 -9.373 0.066 -1.035 1.00 1.00 H new ATOM 0 HB2 ALA A 115 -10.021 -1.591 -1.079 1.00 1.00 H new ATOM 0 HB3 ALA A 115 -8.293 -1.302 -1.394 1.00 1.00 H new ATOM 1808 N VAL A 116 -7.378 -0.117 -3.800 1.00 1.00 N ATOM 1809 CA VAL A 116 -6.372 0.770 -4.388 1.00 1.00 C ATOM 1810 C VAL A 116 -6.700 1.077 -5.847 1.00 1.00 C ATOM 1811 O VAL A 116 -6.599 2.222 -6.285 1.00 1.00 O ATOM 1812 CB VAL A 116 -4.984 0.126 -4.289 1.00 1.00 C ATOM 1813 CG1 VAL A 116 -3.966 0.958 -5.077 1.00 1.00 C ATOM 1814 CG2 VAL A 116 -4.559 0.067 -2.822 1.00 1.00 C ATOM 0 H VAL A 116 -7.024 -1.031 -3.519 1.00 1.00 H new ATOM 0 HA VAL A 116 -6.376 1.707 -3.831 1.00 1.00 H new ATOM 0 HB VAL A 116 -5.024 -0.881 -4.704 1.00 1.00 H new ATOM 0 HG11 VAL A 116 -2.982 0.495 -5.002 1.00 1.00 H new ATOM 0 HG12 VAL A 116 -4.267 1.005 -6.124 1.00 1.00 H new ATOM 0 HG13 VAL A 116 -3.924 1.967 -4.666 1.00 1.00 H new ATOM 0 HG21 VAL A 116 -3.572 -0.390 -2.747 1.00 1.00 H new ATOM 0 HG22 VAL A 116 -4.523 1.077 -2.413 1.00 1.00 H new ATOM 0 HG23 VAL A 116 -5.278 -0.527 -2.258 1.00 1.00 H new ATOM 1824 N LEU A 117 -7.083 0.051 -6.596 1.00 1.00 N ATOM 1825 CA LEU A 117 -7.410 0.236 -8.003 1.00 1.00 C ATOM 1826 C LEU A 117 -8.566 1.213 -8.150 1.00 1.00 C ATOM 1827 O LEU A 117 -8.528 2.119 -8.982 1.00 1.00 O ATOM 1828 CB LEU A 117 -7.798 -1.115 -8.617 1.00 1.00 C ATOM 1829 CG LEU A 117 -8.273 -0.930 -10.066 1.00 1.00 C ATOM 1830 CD1 LEU A 117 -7.178 -0.247 -10.896 1.00 1.00 C ATOM 1831 CD2 LEU A 117 -8.588 -2.306 -10.655 1.00 1.00 C ATOM 0 H LEU A 117 -7.174 -0.907 -6.258 1.00 1.00 H new ATOM 0 HA LEU A 117 -6.540 0.639 -8.521 1.00 1.00 H new ATOM 0 HB2 LEU A 117 -6.944 -1.792 -8.592 1.00 1.00 H new ATOM 0 HB3 LEU A 117 -8.588 -1.577 -8.025 1.00 1.00 H new ATOM 0 HG LEU A 117 -9.164 -0.303 -10.085 1.00 1.00 H new ATOM 0 HD11 LEU A 117 -7.525 -0.120 -11.922 1.00 1.00 H new ATOM 0 HD12 LEU A 117 -6.951 0.729 -10.467 1.00 1.00 H new ATOM 0 HD13 LEU A 117 -6.279 -0.864 -10.890 1.00 1.00 H new ATOM 0 HD21 LEU A 117 -8.927 -2.192 -11.685 1.00 1.00 H new ATOM 0 HD22 LEU A 117 -7.691 -2.925 -10.635 1.00 1.00 H new ATOM 0 HD23 LEU A 117 -9.371 -2.783 -10.066 1.00 1.00 H new ATOM 1843 N ALA A 118 -9.591 1.018 -7.335 1.00 1.00 N ATOM 1844 CA ALA A 118 -10.763 1.881 -7.373 1.00 1.00 C ATOM 1845 C ALA A 118 -10.380 3.319 -7.039 1.00 1.00 C ATOM 1846 O ALA A 118 -10.908 4.264 -7.624 1.00 1.00 O ATOM 1847 CB ALA A 118 -11.809 1.380 -6.374 1.00 1.00 C ATOM 0 H ALA A 118 -9.636 0.272 -6.641 1.00 1.00 H new ATOM 0 HA ALA A 118 -11.181 1.855 -8.379 1.00 1.00 H new ATOM 0 HB1 ALA A 118 -12.684 2.029 -6.407 1.00 1.00 H new ATOM 0 HB2 ALA A 118 -12.102 0.363 -6.634 1.00 1.00 H new ATOM 0 HB3 ALA A 118 -11.387 1.390 -5.369 1.00 1.00 H new ATOM 1853 N ALA A 119 -9.460 3.479 -6.094 1.00 1.00 N ATOM 1854 CA ALA A 119 -9.018 4.809 -5.697 1.00 1.00 C ATOM 1855 C ALA A 119 -8.369 5.537 -6.870 1.00 1.00 C ATOM 1856 O ALA A 119 -8.701 6.686 -7.153 1.00 1.00 O ATOM 1857 CB ALA A 119 -8.018 4.705 -4.544 1.00 1.00 C ATOM 0 H ALA A 119 -9.010 2.712 -5.594 1.00 1.00 H new ATOM 0 HA ALA A 119 -9.891 5.376 -5.373 1.00 1.00 H new ATOM 0 HB1 ALA A 119 -7.693 5.704 -4.253 1.00 1.00 H new ATOM 0 HB2 ALA A 119 -8.493 4.216 -3.693 1.00 1.00 H new ATOM 0 HB3 ALA A 119 -7.155 4.121 -4.863 1.00 1.00 H new ATOM 1863 N GLN A 120 -7.449 4.864 -7.553 1.00 1.00 N ATOM 1864 CA GLN A 120 -6.770 5.471 -8.695 1.00 1.00 C ATOM 1865 C GLN A 120 -7.728 5.650 -9.865 1.00 1.00 C ATOM 1866 O GLN A 120 -7.667 6.647 -10.584 1.00 1.00 O ATOM 1867 CB GLN A 120 -5.579 4.614 -9.129 1.00 1.00 C ATOM 1868 CG GLN A 120 -4.476 4.715 -8.073 1.00 1.00 C ATOM 1869 CD GLN A 120 -3.263 3.896 -8.499 1.00 1.00 C ATOM 1870 OE1 GLN A 120 -3.366 2.684 -8.691 1.00 1.00 O ATOM 1871 NE2 GLN A 120 -2.111 4.491 -8.659 1.00 1.00 N ATOM 0 H GLN A 120 -7.158 3.910 -7.340 1.00 1.00 H new ATOM 0 HA GLN A 120 -6.409 6.452 -8.386 1.00 1.00 H new ATOM 0 HB2 GLN A 120 -5.888 3.576 -9.251 1.00 1.00 H new ATOM 0 HB3 GLN A 120 -5.206 4.952 -10.096 1.00 1.00 H new ATOM 0 HG2 GLN A 120 -4.190 5.758 -7.934 1.00 1.00 H new ATOM 0 HG3 GLN A 120 -4.847 4.356 -7.113 1.00 1.00 H new ATOM 0 HE21 GLN A 120 -2.029 5.495 -8.499 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -1.294 3.951 -8.944 1.00 1.00 H new ATOM 1880 N LYS A 121 -8.614 4.680 -10.046 1.00 1.00 N ATOM 1881 CA LYS A 121 -9.587 4.731 -11.123 1.00 1.00 C ATOM 1882 C LYS A 121 -10.472 5.962 -10.969 1.00 1.00 C ATOM 1883 O LYS A 121 -10.748 6.668 -11.939 1.00 1.00 O ATOM 1884 CB LYS A 121 -10.436 3.468 -11.065 1.00 1.00 C ATOM 1885 CG LYS A 121 -11.430 3.438 -12.228 1.00 1.00 C ATOM 1886 CD LYS A 121 -12.346 2.219 -12.083 1.00 1.00 C ATOM 1887 CE LYS A 121 -11.625 0.941 -12.535 1.00 1.00 C ATOM 1888 NZ LYS A 121 -12.610 -0.173 -12.633 1.00 1.00 N ATOM 0 H LYS A 121 -8.677 3.848 -9.459 1.00 1.00 H new ATOM 0 HA LYS A 121 -9.076 4.793 -12.084 1.00 1.00 H new ATOM 0 HB2 LYS A 121 -9.793 2.588 -11.105 1.00 1.00 H new ATOM 0 HB3 LYS A 121 -10.974 3.427 -10.118 1.00 1.00 H new ATOM 0 HG2 LYS A 121 -12.023 4.353 -12.238 1.00 1.00 H new ATOM 0 HG3 LYS A 121 -10.895 3.394 -13.177 1.00 1.00 H new ATOM 0 HD2 LYS A 121 -12.661 2.117 -11.045 1.00 1.00 H new ATOM 0 HD3 LYS A 121 -13.248 2.363 -12.678 1.00 1.00 H new ATOM 0 HE2 LYS A 121 -11.145 1.103 -13.500 1.00 1.00 H new ATOM 0 HE3 LYS A 121 -10.838 0.684 -11.826 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 -12.124 -1.040 -12.939 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 -13.048 -0.332 -11.703 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 -13.346 0.074 -13.325 1.00 1.00 H new ATOM 1902 N ALA A 122 -10.919 6.206 -9.744 1.00 1.00 N ATOM 1903 CA ALA A 122 -11.782 7.350 -9.465 1.00 1.00 C ATOM 1904 C ALA A 122 -11.067 8.668 -9.763 1.00 1.00 C ATOM 1905 O ALA A 122 -11.674 9.602 -10.288 1.00 1.00 O ATOM 1906 CB ALA A 122 -12.216 7.329 -8.000 1.00 1.00 C ATOM 0 H ALA A 122 -10.701 5.631 -8.930 1.00 1.00 H new ATOM 0 HA ALA A 122 -12.657 7.277 -10.111 1.00 1.00 H new ATOM 0 HB1 ALA A 122 -12.860 8.185 -7.799 1.00 1.00 H new ATOM 0 HB2 ALA A 122 -12.763 6.408 -7.796 1.00 1.00 H new ATOM 0 HB3 ALA A 122 -11.336 7.378 -7.359 1.00 1.00 H new ATOM 1912 N GLN A 123 -9.781 8.743 -9.425 1.00 1.00 N ATOM 1913 CA GLN A 123 -9.015 9.963 -9.666 1.00 1.00 C ATOM 1914 C GLN A 123 -8.877 10.229 -11.161 1.00 1.00 C ATOM 1915 O GLN A 123 -8.970 11.372 -11.609 1.00 1.00 O ATOM 1916 CB GLN A 123 -7.624 9.859 -9.034 1.00 1.00 C ATOM 1917 CG GLN A 123 -7.760 9.836 -7.511 1.00 1.00 C ATOM 1918 CD GLN A 123 -6.384 9.719 -6.863 1.00 1.00 C ATOM 1919 OE1 GLN A 123 -5.367 9.748 -7.555 1.00 1.00 O ATOM 1920 NE2 GLN A 123 -6.293 9.588 -5.569 1.00 1.00 N ATOM 0 H GLN A 123 -9.254 7.986 -8.990 1.00 1.00 H new ATOM 0 HA GLN A 123 -9.555 10.792 -9.208 1.00 1.00 H new ATOM 0 HB2 GLN A 123 -7.122 8.955 -9.379 1.00 1.00 H new ATOM 0 HB3 GLN A 123 -7.008 10.704 -9.343 1.00 1.00 H new ATOM 0 HG2 GLN A 123 -8.256 10.744 -7.169 1.00 1.00 H new ATOM 0 HG3 GLN A 123 -8.386 8.997 -7.207 1.00 1.00 H new ATOM 0 HE21 GLN A 123 -7.138 9.564 -4.998 1.00 1.00 H new ATOM 0 HE22 GLN A 123 -5.377 9.509 -5.128 1.00 1.00 H new ATOM 1929 N SER A 124 -8.653 9.167 -11.928 1.00 1.00 N ATOM 1930 CA SER A 124 -8.502 9.295 -13.375 1.00 1.00 C ATOM 1931 C SER A 124 -9.869 9.308 -14.053 1.00 1.00 C ATOM 1932 O SER A 124 -10.229 8.296 -14.635 1.00 1.00 O ATOM 1933 CB SER A 124 -7.670 8.132 -13.917 1.00 1.00 C ATOM 1934 OG SER A 124 -6.309 8.321 -13.554 1.00 1.00 O ATOM 1935 OXT SER A 124 -10.536 10.326 -13.981 1.00 1.00 O ATOM 0 H SER A 124 -8.572 8.213 -11.576 1.00 1.00 H new ATOM 0 HA SER A 124 -7.993 10.234 -13.590 1.00 1.00 H new ATOM 0 HB2 SER A 124 -8.038 7.188 -13.515 1.00 1.00 H new ATOM 0 HB3 SER A 124 -7.765 8.076 -15.001 1.00 1.00 H new ATOM 0 HG SER A 124 -5.772 7.577 -13.898 1.00 1.00 H new