USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 585 hydrogens (15 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 NoAdj-H: A 35 LYS HZ1 : A 35 LYS NZ : A 135 BTI C11 :(NH2R) USER MOD NoAdj-H: A 35 LYS HZ3 : A 35 LYS NZ : A 135 BTI C11 :(NH2R) USER MOD NoAdj-H: A 135 BTI H11 : A 135 BTI C11 : A 35 LYS NZ :(H bumps) USER MOD Set 1.1: A 70 ASN : amide:sc= 2 K(o=3,f=0.93) USER MOD Set 1.2: A 73 GLN : amide:sc= 1.03 K(o=3,f=1) USER MOD Set 2.1: A 7 MET CE :methyl -124:sc= -0.0194 (180deg=-0.171) USER MOD Set 2.2: A 33 SER OG : rot -62:sc= 1.18 USER MOD Set 2.3: A 36 MET CE :methyl -175:sc= 0 (180deg=-0.0207) USER MOD Set 3.1: A 2 THR OG1 : rot -168:sc= 1.13 USER MOD Set 3.2: A 71 SER OG : rot 76:sc= 2.47 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 ASN : amide:sc= 0.886 K(o=0.89,f=-0.0058) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -0.263 X(o=-0.26,f=-0.68) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.4) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0.909 K(o=0.91,f=-0.25) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.348 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 174:sc= 2.49 (180deg=2.4) USER MOD Single : A 53 LYS NZ :NH3+ -164:sc= 2.06 (180deg=1.62) USER MOD Single : A 54 LYS NZ :NH3+ -174:sc= 1.13 (180deg=1.1) USER MOD Single : A 60 ASN : amide:sc= 0.468 X(o=0.47,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0824 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 2 1.677 -1.630 3.853 1.00 0.00 N ATOM 2 CA THR A 2 0.773 -1.586 5.024 1.00 0.00 C ATOM 3 C THR A 2 0.376 -3.005 5.450 1.00 0.00 C ATOM 4 O THR A 2 0.901 -3.489 6.455 1.00 0.00 O ATOM 5 CB THR A 2 -0.417 -0.639 4.782 1.00 0.00 C ATOM 6 OG1 THR A 2 0.073 0.544 4.187 1.00 0.00 O ATOM 7 CG2 THR A 2 -1.147 -0.269 6.074 1.00 0.00 C ATOM 0 HA THR A 2 1.305 -1.156 5.872 1.00 0.00 H new ATOM 0 HB THR A 2 -1.130 -1.155 4.138 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.629 1.228 4.193 1.00 0.00 H new ATOM 0 HG21 THR A 2 -1.976 0.400 5.844 1.00 0.00 H new ATOM 0 HG22 THR A 2 -1.530 -1.173 6.547 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.455 0.230 6.753 1.00 0.00 H new ATOM 17 N VAL A 3 -0.526 -3.688 4.727 1.00 0.00 N ATOM 18 CA VAL A 3 -0.769 -5.111 4.965 1.00 0.00 C ATOM 19 C VAL A 3 0.359 -5.847 4.226 1.00 0.00 C ATOM 20 O VAL A 3 0.743 -5.441 3.121 1.00 0.00 O ATOM 21 CB VAL A 3 -2.182 -5.552 4.504 1.00 0.00 C ATOM 22 CG1 VAL A 3 -2.598 -6.854 5.202 1.00 0.00 C ATOM 23 CG2 VAL A 3 -3.282 -4.516 4.808 1.00 0.00 C ATOM 0 H VAL A 3 -1.091 -3.280 3.982 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.756 -5.347 6.029 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.099 -5.675 3.424 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.592 -7.146 4.865 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.886 -7.642 4.957 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.612 -6.700 6.281 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.243 -4.892 4.458 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.331 -4.342 5.883 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.051 -3.580 4.299 1.00 0.00 H new ATOM 33 N SER A 4 0.889 -6.910 4.826 1.00 0.00 N ATOM 34 CA SER A 4 2.075 -7.604 4.346 1.00 0.00 C ATOM 35 C SER A 4 1.931 -9.100 4.616 1.00 0.00 C ATOM 36 O SER A 4 1.096 -9.538 5.415 1.00 0.00 O ATOM 37 CB SER A 4 3.316 -7.058 5.068 1.00 0.00 C ATOM 38 OG SER A 4 3.461 -5.660 4.860 1.00 0.00 O ATOM 0 H SER A 4 0.497 -7.318 5.675 1.00 0.00 H new ATOM 0 HA SER A 4 2.186 -7.442 3.274 1.00 0.00 H new ATOM 0 HB2 SER A 4 3.238 -7.263 6.136 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.205 -7.575 4.709 1.00 0.00 H new ATOM 0 HG SER A 4 4.258 -5.340 5.332 1.00 0.00 H new ATOM 44 N ILE A 5 2.751 -9.877 3.924 1.00 0.00 N ATOM 45 CA ILE A 5 2.792 -11.325 3.978 1.00 0.00 C ATOM 46 C ILE A 5 3.554 -11.763 5.237 1.00 0.00 C ATOM 47 O ILE A 5 4.408 -11.035 5.749 1.00 0.00 O ATOM 48 CB ILE A 5 3.406 -11.811 2.644 1.00 0.00 C ATOM 49 CG1 ILE A 5 2.591 -11.317 1.423 1.00 0.00 C ATOM 50 CG2 ILE A 5 3.519 -13.336 2.603 1.00 0.00 C ATOM 51 CD1 ILE A 5 1.081 -11.582 1.482 1.00 0.00 C ATOM 0 H ILE A 5 3.440 -9.492 3.278 1.00 0.00 H new ATOM 0 HA ILE A 5 1.806 -11.780 4.069 1.00 0.00 H new ATOM 0 HB ILE A 5 4.407 -11.382 2.588 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.749 -10.244 1.313 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.990 -11.791 0.527 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.954 -13.643 1.652 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.156 -13.676 3.420 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.528 -13.777 2.708 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.608 -11.196 0.579 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.902 -12.655 1.555 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.658 -11.083 2.354 1.00 0.00 H new ATOM 63 N GLN A 6 3.255 -12.972 5.726 1.00 0.00 N ATOM 64 CA GLN A 6 3.706 -13.477 7.025 1.00 0.00 C ATOM 65 C GLN A 6 4.382 -14.855 6.945 1.00 0.00 C ATOM 66 O GLN A 6 4.747 -15.413 7.978 1.00 0.00 O ATOM 67 CB GLN A 6 2.505 -13.467 7.987 1.00 0.00 C ATOM 68 CG GLN A 6 1.409 -14.486 7.621 1.00 0.00 C ATOM 69 CD GLN A 6 0.104 -14.191 8.360 1.00 0.00 C ATOM 70 OE1 GLN A 6 -0.236 -14.829 9.353 1.00 0.00 O ATOM 71 NE2 GLN A 6 -0.645 -13.205 7.891 1.00 0.00 N ATOM 0 H GLN A 6 2.679 -13.641 5.216 1.00 0.00 H new ATOM 0 HA GLN A 6 4.488 -12.819 7.403 1.00 0.00 H new ATOM 0 HB2 GLN A 6 2.858 -13.674 8.997 1.00 0.00 H new ATOM 0 HB3 GLN A 6 2.070 -12.468 8.000 1.00 0.00 H new ATOM 0 HG2 GLN A 6 1.233 -14.463 6.546 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.749 -15.492 7.867 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -0.346 -12.686 7.065 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -1.521 -12.964 8.356 1.00 0.00 H new ATOM 80 N MET A 7 4.562 -15.409 5.740 1.00 0.00 N ATOM 81 CA MET A 7 5.282 -16.663 5.527 1.00 0.00 C ATOM 82 C MET A 7 5.942 -16.643 4.147 1.00 0.00 C ATOM 83 O MET A 7 5.565 -15.852 3.282 1.00 0.00 O ATOM 84 CB MET A 7 4.325 -17.869 5.664 1.00 0.00 C ATOM 85 CG MET A 7 4.788 -18.842 6.757 1.00 0.00 C ATOM 86 SD MET A 7 6.431 -19.581 6.518 1.00 0.00 S ATOM 87 CE MET A 7 6.009 -20.903 5.353 1.00 0.00 C ATOM 0 H MET A 7 4.207 -14.993 4.879 1.00 0.00 H new ATOM 0 HA MET A 7 6.056 -16.766 6.287 1.00 0.00 H new ATOM 0 HB2 MET A 7 3.322 -17.512 5.896 1.00 0.00 H new ATOM 0 HB3 MET A 7 4.264 -18.395 4.711 1.00 0.00 H new ATOM 0 HG2 MET A 7 4.783 -18.315 7.711 1.00 0.00 H new ATOM 0 HG3 MET A 7 4.057 -19.647 6.834 1.00 0.00 H new ATOM 0 HE1 MET A 7 6.331 -21.862 5.759 1.00 0.00 H new ATOM 0 HE2 MET A 7 4.930 -20.919 5.196 1.00 0.00 H new ATOM 0 HE3 MET A 7 6.511 -20.724 4.402 1.00 0.00 H new ATOM 97 N ALA A 8 6.934 -17.509 3.944 1.00 0.00 N ATOM 98 CA ALA A 8 7.519 -17.765 2.640 1.00 0.00 C ATOM 99 C ALA A 8 6.488 -18.491 1.787 1.00 0.00 C ATOM 100 O ALA A 8 5.861 -19.442 2.262 1.00 0.00 O ATOM 101 CB ALA A 8 8.807 -18.567 2.824 1.00 0.00 C ATOM 0 H ALA A 8 7.355 -18.057 4.694 1.00 0.00 H new ATOM 0 HA ALA A 8 7.785 -16.841 2.127 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.255 -18.765 1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.506 -17.997 3.436 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.580 -19.512 3.318 1.00 0.00 H new ATOM 107 N GLY A 9 6.285 -18.050 0.549 1.00 0.00 N ATOM 108 CA GLY A 9 5.205 -18.612 -0.243 1.00 0.00 C ATOM 109 C GLY A 9 4.977 -17.926 -1.577 1.00 0.00 C ATOM 110 O GLY A 9 5.825 -17.199 -2.099 1.00 0.00 O ATOM 0 H GLY A 9 6.837 -17.328 0.087 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.414 -19.666 -0.423 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.284 -18.564 0.337 1.00 0.00 H new ATOM 114 N ASN A 10 3.803 -18.197 -2.130 1.00 0.00 N ATOM 115 CA ASN A 10 3.367 -17.819 -3.459 1.00 0.00 C ATOM 116 C ASN A 10 1.905 -17.428 -3.321 1.00 0.00 C ATOM 117 O ASN A 10 1.134 -18.121 -2.654 1.00 0.00 O ATOM 118 CB ASN A 10 3.505 -19.011 -4.419 1.00 0.00 C ATOM 119 CG ASN A 10 4.958 -19.433 -4.589 1.00 0.00 C ATOM 120 OD1 ASN A 10 5.704 -18.824 -5.350 1.00 0.00 O ATOM 121 ND2 ASN A 10 5.400 -20.457 -3.874 1.00 0.00 N ATOM 0 H ASN A 10 3.087 -18.720 -1.627 1.00 0.00 H new ATOM 0 HA ASN A 10 3.966 -17.002 -3.861 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.924 -19.852 -4.041 1.00 0.00 H new ATOM 0 HB3 ASN A 10 3.087 -18.746 -5.390 1.00 0.00 H new ATOM 0 HD21 ASN A 10 6.374 -20.750 -3.951 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.766 -20.952 -3.246 1.00 0.00 H new ATOM 128 N LEU A 11 1.522 -16.308 -3.924 1.00 0.00 N ATOM 129 CA LEU A 11 0.184 -15.740 -3.810 1.00 0.00 C ATOM 130 C LEU A 11 -0.812 -16.556 -4.628 1.00 0.00 C ATOM 131 O LEU A 11 -1.129 -16.201 -5.760 1.00 0.00 O ATOM 132 CB LEU A 11 0.220 -14.258 -4.217 1.00 0.00 C ATOM 133 CG LEU A 11 0.574 -13.349 -3.032 1.00 0.00 C ATOM 134 CD1 LEU A 11 0.885 -11.953 -3.556 1.00 0.00 C ATOM 135 CD2 LEU A 11 -0.563 -13.246 -2.012 1.00 0.00 C ATOM 0 H LEU A 11 2.145 -15.759 -4.517 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.155 -15.787 -2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.951 -14.118 -5.014 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.750 -13.968 -4.620 1.00 0.00 H new ATOM 0 HG LEU A 11 1.435 -13.788 -2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.138 -11.299 -2.721 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.727 -12.003 -4.246 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.013 -11.557 -4.076 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.260 -12.591 -1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.450 -12.836 -2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.790 -14.237 -1.618 1.00 0.00 H new ATOM 147 N TRP A 12 -1.293 -17.656 -4.051 1.00 0.00 N ATOM 148 CA TRP A 12 -2.306 -18.540 -4.612 1.00 0.00 C ATOM 149 C TRP A 12 -3.493 -17.728 -5.135 1.00 0.00 C ATOM 150 O TRP A 12 -3.891 -17.936 -6.281 1.00 0.00 O ATOM 151 CB TRP A 12 -2.683 -19.554 -3.517 1.00 0.00 C ATOM 152 CG TRP A 12 -3.822 -20.519 -3.688 1.00 0.00 C ATOM 153 CD1 TRP A 12 -4.624 -20.710 -4.762 1.00 0.00 C ATOM 154 CD2 TRP A 12 -4.314 -21.449 -2.681 1.00 0.00 C ATOM 155 NE1 TRP A 12 -5.580 -21.664 -4.477 1.00 0.00 N ATOM 156 CE2 TRP A 12 -5.461 -22.127 -3.187 1.00 0.00 C ATOM 157 CE3 TRP A 12 -3.901 -21.775 -1.375 1.00 0.00 C ATOM 158 CZ2 TRP A 12 -6.192 -23.044 -2.417 1.00 0.00 C ATOM 159 CZ3 TRP A 12 -4.627 -22.688 -0.594 1.00 0.00 C ATOM 160 CH2 TRP A 12 -5.779 -23.313 -1.101 1.00 0.00 C ATOM 0 H TRP A 12 -0.969 -17.968 -3.135 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.933 -19.089 -5.477 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.792 -20.150 -3.319 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.889 -18.980 -2.614 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.529 -20.191 -5.705 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.286 -21.985 -5.140 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.012 -21.316 -0.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -7.060 -23.536 -2.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -4.296 -22.913 0.409 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -6.343 -23.996 -0.483 1.00 0.00 H new ATOM 171 N LYS A 13 -4.016 -16.776 -4.349 1.00 0.00 N ATOM 172 CA LYS A 13 -5.092 -15.875 -4.764 1.00 0.00 C ATOM 173 C LYS A 13 -4.902 -14.516 -4.105 1.00 0.00 C ATOM 174 O LYS A 13 -4.272 -14.417 -3.051 1.00 0.00 O ATOM 175 CB LYS A 13 -6.477 -16.466 -4.450 1.00 0.00 C ATOM 176 CG LYS A 13 -6.863 -17.578 -5.446 1.00 0.00 C ATOM 177 CD LYS A 13 -8.269 -18.149 -5.247 1.00 0.00 C ATOM 178 CE LYS A 13 -8.313 -18.889 -3.910 1.00 0.00 C ATOM 179 NZ LYS A 13 -9.586 -19.627 -3.705 1.00 0.00 N ATOM 0 H LYS A 13 -3.697 -16.611 -3.395 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.045 -15.749 -5.846 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.480 -16.868 -3.437 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.226 -15.674 -4.481 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.785 -17.184 -6.459 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.140 -18.389 -5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.008 -17.347 -5.260 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.520 -18.827 -6.063 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.479 -19.590 -3.860 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.178 -18.174 -3.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.563 -20.110 -2.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.382 -18.958 -3.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.705 -20.330 -4.462 1.00 0.00 H new ATOM 193 N VAL A 14 -5.477 -13.485 -4.718 1.00 0.00 N ATOM 194 CA VAL A 14 -5.567 -12.125 -4.202 1.00 0.00 C ATOM 195 C VAL A 14 -7.035 -11.725 -4.393 1.00 0.00 C ATOM 196 O VAL A 14 -7.675 -12.145 -5.363 1.00 0.00 O ATOM 197 CB VAL A 14 -4.553 -11.206 -4.930 1.00 0.00 C ATOM 198 CG1 VAL A 14 -4.689 -9.732 -4.518 1.00 0.00 C ATOM 199 CG2 VAL A 14 -3.104 -11.620 -4.624 1.00 0.00 C ATOM 0 H VAL A 14 -5.914 -13.582 -5.634 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.299 -12.037 -3.149 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.779 -11.316 -5.991 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.955 -9.134 -5.058 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.692 -9.378 -4.757 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.517 -9.636 -3.446 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.417 -10.956 -5.149 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.925 -11.552 -3.551 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.941 -12.646 -4.955 1.00 0.00 H new ATOM 209 N HIS A 15 -7.567 -10.930 -3.464 1.00 0.00 N ATOM 210 CA HIS A 15 -8.996 -10.618 -3.345 1.00 0.00 C ATOM 211 C HIS A 15 -9.231 -9.117 -3.119 1.00 0.00 C ATOM 212 O HIS A 15 -10.311 -8.710 -2.691 1.00 0.00 O ATOM 213 CB HIS A 15 -9.608 -11.461 -2.211 1.00 0.00 C ATOM 214 CG HIS A 15 -9.372 -12.945 -2.356 1.00 0.00 C ATOM 215 ND1 HIS A 15 -9.975 -13.789 -3.260 1.00 0.00 N ATOM 216 CD2 HIS A 15 -8.487 -13.697 -1.632 1.00 0.00 C ATOM 217 CE1 HIS A 15 -9.465 -15.019 -3.080 1.00 0.00 C ATOM 218 NE2 HIS A 15 -8.541 -15.013 -2.102 1.00 0.00 N ATOM 0 H HIS A 15 -7.000 -10.470 -2.751 1.00 0.00 H new ATOM 0 HA HIS A 15 -9.491 -10.872 -4.283 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -9.193 -11.128 -1.260 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -10.681 -11.276 -2.173 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -10.684 -13.527 -3.945 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -7.855 -13.336 -0.834 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -9.757 -15.893 -3.643 1.00 0.00 H new ATOM 226 N VAL A 16 -8.222 -8.293 -3.405 1.00 0.00 N ATOM 227 CA VAL A 16 -8.234 -6.843 -3.262 1.00 0.00 C ATOM 228 C VAL A 16 -7.771 -6.204 -4.568 1.00 0.00 C ATOM 229 O VAL A 16 -7.058 -6.827 -5.361 1.00 0.00 O ATOM 230 CB VAL A 16 -7.348 -6.417 -2.073 1.00 0.00 C ATOM 231 CG1 VAL A 16 -8.094 -6.640 -0.758 1.00 0.00 C ATOM 232 CG2 VAL A 16 -5.991 -7.142 -2.014 1.00 0.00 C ATOM 0 H VAL A 16 -7.331 -8.640 -3.760 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.247 -6.500 -3.052 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.133 -5.359 -2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.461 -6.336 0.076 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.009 -6.047 -0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.346 -7.696 -0.657 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.427 -6.788 -1.151 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.156 -8.216 -1.924 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.429 -6.936 -2.925 1.00 0.00 H new ATOM 242 N LYS A 17 -8.171 -4.949 -4.780 1.00 0.00 N ATOM 243 CA LYS A 17 -7.812 -4.126 -5.929 1.00 0.00 C ATOM 244 C LYS A 17 -7.644 -2.700 -5.414 1.00 0.00 C ATOM 245 O LYS A 17 -8.244 -2.359 -4.395 1.00 0.00 O ATOM 246 CB LYS A 17 -8.939 -4.139 -6.978 1.00 0.00 C ATOM 247 CG LYS A 17 -9.148 -5.497 -7.668 1.00 0.00 C ATOM 248 CD LYS A 17 -10.364 -5.496 -8.611 1.00 0.00 C ATOM 249 CE LYS A 17 -10.330 -4.425 -9.716 1.00 0.00 C ATOM 250 NZ LYS A 17 -9.263 -4.659 -10.722 1.00 0.00 N ATOM 0 H LYS A 17 -8.781 -4.460 -4.125 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.902 -4.505 -6.395 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.871 -3.843 -6.496 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.720 -3.389 -7.738 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.253 -5.755 -8.234 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.280 -6.270 -6.911 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.442 -6.477 -9.079 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.266 -5.354 -8.016 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.296 -4.400 -10.219 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.183 -3.446 -9.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.291 -3.906 -11.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.335 -4.655 -10.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.415 -5.580 -11.181 1.00 0.00 H new ATOM 264 N ALA A 18 -6.898 -1.845 -6.116 1.00 0.00 N ATOM 265 CA ALA A 18 -6.865 -0.418 -5.805 1.00 0.00 C ATOM 266 C ALA A 18 -8.297 0.135 -5.838 1.00 0.00 C ATOM 267 O ALA A 18 -9.052 -0.152 -6.770 1.00 0.00 O ATOM 268 CB ALA A 18 -5.956 0.318 -6.795 1.00 0.00 C ATOM 0 H ALA A 18 -6.309 -2.118 -6.903 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.455 -0.263 -4.807 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.940 1.381 -6.553 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.945 -0.085 -6.730 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.336 0.182 -7.808 1.00 0.00 H new ATOM 274 N GLY A 19 -8.666 0.916 -4.822 1.00 0.00 N ATOM 275 CA GLY A 19 -9.989 1.512 -4.679 1.00 0.00 C ATOM 276 C GLY A 19 -11.012 0.587 -4.008 1.00 0.00 C ATOM 277 O GLY A 19 -12.113 1.048 -3.704 1.00 0.00 O ATOM 0 H GLY A 19 -8.035 1.156 -4.058 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.904 2.429 -4.096 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.359 1.794 -5.665 1.00 0.00 H new ATOM 281 N ASP A 20 -10.693 -0.693 -3.774 1.00 0.00 N ATOM 282 CA ASP A 20 -11.567 -1.608 -3.033 1.00 0.00 C ATOM 283 C ASP A 20 -11.661 -1.195 -1.554 1.00 0.00 C ATOM 284 O ASP A 20 -10.839 -0.415 -1.069 1.00 0.00 O ATOM 285 CB ASP A 20 -11.058 -3.050 -3.178 1.00 0.00 C ATOM 286 CG ASP A 20 -12.033 -4.099 -2.618 1.00 0.00 C ATOM 287 OD1 ASP A 20 -13.265 -3.869 -2.640 1.00 0.00 O ATOM 288 OD2 ASP A 20 -11.560 -5.171 -2.186 1.00 0.00 O ATOM 0 H ASP A 20 -9.824 -1.121 -4.093 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.572 -1.554 -3.452 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.876 -3.259 -4.232 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.101 -3.143 -2.665 1.00 0.00 H new ATOM 293 N GLN A 21 -12.633 -1.737 -0.819 1.00 0.00 N ATOM 294 CA GLN A 21 -12.896 -1.452 0.588 1.00 0.00 C ATOM 295 C GLN A 21 -12.717 -2.773 1.348 1.00 0.00 C ATOM 296 O GLN A 21 -13.224 -3.805 0.900 1.00 0.00 O ATOM 297 CB GLN A 21 -14.330 -0.887 0.703 1.00 0.00 C ATOM 298 CG GLN A 21 -14.651 -0.119 1.997 1.00 0.00 C ATOM 299 CD GLN A 21 -14.522 -0.946 3.271 1.00 0.00 C ATOM 300 OE1 GLN A 21 -15.119 -2.010 3.413 1.00 0.00 O ATOM 301 NE2 GLN A 21 -13.719 -0.484 4.212 1.00 0.00 N ATOM 0 H GLN A 21 -13.286 -2.417 -1.208 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.219 -0.710 1.011 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -14.506 -0.223 -0.143 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.034 -1.714 0.611 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -13.986 0.741 2.068 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -15.668 0.269 1.932 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -13.231 0.402 4.077 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -13.586 -1.013 5.074 1.00 0.00 H new ATOM 310 N ILE A 22 -12.008 -2.745 2.479 1.00 0.00 N ATOM 311 CA ILE A 22 -11.713 -3.922 3.294 1.00 0.00 C ATOM 312 C ILE A 22 -11.982 -3.630 4.763 1.00 0.00 C ATOM 313 O ILE A 22 -12.076 -2.475 5.185 1.00 0.00 O ATOM 314 CB ILE A 22 -10.269 -4.421 3.061 1.00 0.00 C ATOM 315 CG1 ILE A 22 -9.206 -3.411 3.551 1.00 0.00 C ATOM 316 CG2 ILE A 22 -10.062 -4.798 1.586 1.00 0.00 C ATOM 317 CD1 ILE A 22 -7.773 -3.927 3.400 1.00 0.00 C ATOM 0 H ILE A 22 -11.615 -1.884 2.860 1.00 0.00 H new ATOM 0 HA ILE A 22 -12.378 -4.729 2.986 1.00 0.00 H new ATOM 0 HB ILE A 22 -10.131 -5.318 3.665 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -9.312 -2.481 2.992 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.393 -3.176 4.599 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.040 -5.147 1.440 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.759 -5.590 1.312 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.240 -3.925 0.959 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.075 -3.172 3.761 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.652 -4.841 3.981 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.570 -4.136 2.350 1.00 0.00 H new ATOM 329 N GLU A 23 -12.081 -4.685 5.561 1.00 0.00 N ATOM 330 CA GLU A 23 -12.530 -4.618 6.934 1.00 0.00 C ATOM 331 C GLU A 23 -11.660 -5.610 7.694 1.00 0.00 C ATOM 332 O GLU A 23 -11.341 -6.669 7.150 1.00 0.00 O ATOM 333 CB GLU A 23 -14.030 -4.945 6.960 1.00 0.00 C ATOM 334 CG GLU A 23 -14.588 -4.954 8.383 1.00 0.00 C ATOM 335 CD GLU A 23 -16.113 -5.164 8.398 1.00 0.00 C ATOM 336 OE1 GLU A 23 -16.574 -6.328 8.392 1.00 0.00 O ATOM 337 OE2 GLU A 23 -16.870 -4.167 8.438 1.00 0.00 O ATOM 0 H GLU A 23 -11.844 -5.630 5.259 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.428 -3.638 7.400 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.572 -4.212 6.363 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -14.197 -5.918 6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.106 -5.746 8.957 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.346 -4.012 8.874 1.00 0.00 H new ATOM 344 N LYS A 24 -11.221 -5.258 8.906 1.00 0.00 N ATOM 345 CA LYS A 24 -10.289 -6.070 9.685 1.00 0.00 C ATOM 346 C LYS A 24 -10.790 -7.517 9.751 1.00 0.00 C ATOM 347 O LYS A 24 -11.920 -7.764 10.183 1.00 0.00 O ATOM 348 CB LYS A 24 -10.092 -5.444 11.077 1.00 0.00 C ATOM 349 CG LYS A 24 -9.041 -6.209 11.902 1.00 0.00 C ATOM 350 CD LYS A 24 -8.821 -5.627 13.307 1.00 0.00 C ATOM 351 CE LYS A 24 -8.175 -4.233 13.277 1.00 0.00 C ATOM 352 NZ LYS A 24 -7.906 -3.713 14.642 1.00 0.00 N ATOM 0 H LYS A 24 -11.505 -4.397 9.374 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.312 -6.092 9.201 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.783 -4.404 10.968 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.042 -5.440 11.612 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.350 -7.250 11.993 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.094 -6.204 11.363 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.778 -5.568 13.825 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.188 -6.304 13.881 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.241 -4.278 12.716 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.831 -3.541 12.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.470 -2.771 14.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.800 -3.645 15.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.259 -4.359 15.138 1.00 0.00 H new ATOM 366 N GLY A 25 -9.953 -8.463 9.319 1.00 0.00 N ATOM 367 CA GLY A 25 -10.272 -9.886 9.316 1.00 0.00 C ATOM 368 C GLY A 25 -10.939 -10.380 8.024 1.00 0.00 C ATOM 369 O GLY A 25 -11.199 -11.579 7.920 1.00 0.00 O ATOM 0 H GLY A 25 -9.022 -8.255 8.957 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.355 -10.453 9.477 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.932 -10.101 10.157 1.00 0.00 H new ATOM 373 N GLN A 26 -11.214 -9.515 7.038 1.00 0.00 N ATOM 374 CA GLN A 26 -11.670 -9.934 5.719 1.00 0.00 C ATOM 375 C GLN A 26 -10.477 -10.573 5.019 1.00 0.00 C ATOM 376 O GLN A 26 -9.363 -10.067 5.123 1.00 0.00 O ATOM 377 CB GLN A 26 -12.158 -8.718 4.909 1.00 0.00 C ATOM 378 CG GLN A 26 -12.858 -9.115 3.597 1.00 0.00 C ATOM 379 CD GLN A 26 -12.706 -8.034 2.529 1.00 0.00 C ATOM 380 OE1 GLN A 26 -13.405 -7.026 2.543 1.00 0.00 O ATOM 381 NE2 GLN A 26 -11.786 -8.216 1.593 1.00 0.00 N ATOM 0 H GLN A 26 -11.124 -8.504 7.140 1.00 0.00 H new ATOM 0 HA GLN A 26 -12.500 -10.635 5.804 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -12.846 -8.133 5.520 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.308 -8.075 4.681 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.439 -10.052 3.229 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -13.916 -9.292 3.788 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.214 -9.061 1.597 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.650 -7.512 0.868 1.00 0.00 H new ATOM 390 N GLU A 27 -10.695 -11.650 4.276 1.00 0.00 N ATOM 391 CA GLU A 27 -9.682 -12.240 3.412 1.00 0.00 C ATOM 392 C GLU A 27 -9.280 -11.216 2.343 1.00 0.00 C ATOM 393 O GLU A 27 -10.147 -10.599 1.714 1.00 0.00 O ATOM 394 CB GLU A 27 -10.258 -13.537 2.831 1.00 0.00 C ATOM 395 CG GLU A 27 -9.222 -14.402 2.106 1.00 0.00 C ATOM 396 CD GLU A 27 -9.829 -15.779 1.773 1.00 0.00 C ATOM 397 OE1 GLU A 27 -10.657 -15.879 0.839 1.00 0.00 O ATOM 398 OE2 GLU A 27 -9.520 -16.765 2.480 1.00 0.00 O ATOM 0 H GLU A 27 -11.588 -12.143 4.256 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.772 -12.495 3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.704 -14.119 3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.060 -13.288 2.136 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.898 -13.907 1.191 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.338 -14.526 2.731 1.00 0.00 H new ATOM 405 N VAL A 28 -7.974 -11.037 2.137 1.00 0.00 N ATOM 406 CA VAL A 28 -7.409 -10.158 1.122 1.00 0.00 C ATOM 407 C VAL A 28 -6.453 -10.932 0.204 1.00 0.00 C ATOM 408 O VAL A 28 -6.310 -10.551 -0.958 1.00 0.00 O ATOM 409 CB VAL A 28 -6.749 -8.922 1.779 1.00 0.00 C ATOM 410 CG1 VAL A 28 -7.794 -8.026 2.460 1.00 0.00 C ATOM 411 CG2 VAL A 28 -5.694 -9.273 2.839 1.00 0.00 C ATOM 0 H VAL A 28 -7.263 -11.515 2.690 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.212 -9.783 0.487 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.260 -8.405 0.953 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.298 -7.167 2.912 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.515 -7.681 1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.312 -8.594 3.233 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.276 -8.356 3.254 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.158 -9.854 3.636 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.898 -9.859 2.380 1.00 0.00 H new ATOM 421 N ALA A 29 -5.868 -12.050 0.650 1.00 0.00 N ATOM 422 CA ALA A 29 -5.088 -12.948 -0.198 1.00 0.00 C ATOM 423 C ALA A 29 -5.036 -14.342 0.429 1.00 0.00 C ATOM 424 O ALA A 29 -5.518 -14.546 1.545 1.00 0.00 O ATOM 425 CB ALA A 29 -3.671 -12.387 -0.399 1.00 0.00 C ATOM 0 H ALA A 29 -5.926 -12.357 1.621 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.567 -13.025 -1.174 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.098 -13.064 -1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.731 -11.408 -0.875 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.177 -12.290 0.568 1.00 0.00 H new ATOM 431 N ILE A 30 -4.431 -15.296 -0.273 1.00 0.00 N ATOM 432 CA ILE A 30 -4.099 -16.610 0.262 1.00 0.00 C ATOM 433 C ILE A 30 -2.702 -16.952 -0.245 1.00 0.00 C ATOM 434 O ILE A 30 -2.375 -16.698 -1.408 1.00 0.00 O ATOM 435 CB ILE A 30 -5.114 -17.706 -0.152 1.00 0.00 C ATOM 436 CG1 ILE A 30 -6.575 -17.319 0.161 1.00 0.00 C ATOM 437 CG2 ILE A 30 -4.736 -19.025 0.556 1.00 0.00 C ATOM 438 CD1 ILE A 30 -7.592 -18.387 -0.257 1.00 0.00 C ATOM 0 H ILE A 30 -4.153 -15.174 -1.247 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.137 -16.577 1.351 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.059 -17.827 -1.234 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.673 -17.134 1.231 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.812 -16.384 -0.347 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.443 -19.805 0.273 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.730 -19.322 0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.768 -18.880 1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.598 -18.049 -0.007 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.522 -18.555 -1.332 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.380 -19.317 0.271 1.00 0.00 H new ATOM 450 N LEU A 31 -1.899 -17.556 0.627 1.00 0.00 N ATOM 451 CA LEU A 31 -0.627 -18.153 0.282 1.00 0.00 C ATOM 452 C LEU A 31 -0.839 -19.638 0.067 1.00 0.00 C ATOM 453 O LEU A 31 -1.415 -20.330 0.917 1.00 0.00 O ATOM 454 CB LEU A 31 0.369 -18.015 1.432 1.00 0.00 C ATOM 455 CG LEU A 31 0.769 -16.586 1.788 1.00 0.00 C ATOM 456 CD1 LEU A 31 1.821 -16.655 2.902 1.00 0.00 C ATOM 457 CD2 LEU A 31 1.259 -15.786 0.577 1.00 0.00 C ATOM 0 H LEU A 31 -2.128 -17.642 1.617 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.243 -17.654 -0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.058 -18.485 2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.270 -18.573 1.178 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.109 -16.044 2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.126 -15.645 3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.397 -17.156 3.772 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.689 -17.213 2.549 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.529 -14.778 0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.131 -16.277 0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.466 -15.733 -0.169 1.00 0.00 H new ATOM 469 N GLU A 32 -0.279 -20.121 -1.034 1.00 0.00 N ATOM 470 CA GLU A 32 0.408 -21.392 -1.012 1.00 0.00 C ATOM 471 C GLU A 32 1.755 -21.099 -0.359 1.00 0.00 C ATOM 472 O GLU A 32 2.366 -20.065 -0.627 1.00 0.00 O ATOM 473 CB GLU A 32 0.563 -21.893 -2.457 1.00 0.00 C ATOM 474 CG GLU A 32 1.511 -23.093 -2.636 1.00 0.00 C ATOM 475 CD GLU A 32 2.893 -22.680 -3.184 1.00 0.00 C ATOM 476 OE1 GLU A 32 3.786 -22.293 -2.396 1.00 0.00 O ATOM 477 OE2 GLU A 32 3.088 -22.746 -4.418 1.00 0.00 O ATOM 0 H GLU A 32 -0.290 -19.654 -1.941 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.122 -22.170 -0.462 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.421 -22.168 -2.837 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.924 -21.070 -3.073 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.640 -23.596 -1.678 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.055 -23.813 -3.315 1.00 0.00 H new ATOM 484 N SER A 33 2.210 -22.007 0.489 1.00 0.00 N ATOM 485 CA SER A 33 3.474 -21.903 1.180 1.00 0.00 C ATOM 486 C SER A 33 4.115 -23.277 1.120 1.00 0.00 C ATOM 487 O SER A 33 3.980 -24.082 2.039 1.00 0.00 O ATOM 488 CB SER A 33 3.225 -21.391 2.601 1.00 0.00 C ATOM 489 OG SER A 33 3.222 -19.980 2.621 1.00 0.00 O ATOM 0 H SER A 33 1.693 -22.856 0.718 1.00 0.00 H new ATOM 0 HA SER A 33 4.158 -21.188 0.724 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.271 -21.768 2.969 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.997 -21.769 3.271 1.00 0.00 H new ATOM 0 HG SER A 33 4.101 -19.647 2.343 1.00 0.00 H new ATOM 495 N MET A 34 4.770 -23.565 -0.005 1.00 0.00 N ATOM 496 CA MET A 34 5.477 -24.820 -0.254 1.00 0.00 C ATOM 497 C MET A 34 4.559 -26.037 -0.019 1.00 0.00 C ATOM 498 O MET A 34 4.973 -27.021 0.603 1.00 0.00 O ATOM 499 CB MET A 34 6.806 -24.863 0.534 1.00 0.00 C ATOM 500 CG MET A 34 7.611 -23.552 0.489 1.00 0.00 C ATOM 501 SD MET A 34 7.951 -22.880 -1.164 1.00 0.00 S ATOM 502 CE MET A 34 8.525 -21.223 -0.697 1.00 0.00 C ATOM 0 H MET A 34 4.824 -22.914 -0.788 1.00 0.00 H new ATOM 0 HA MET A 34 5.754 -24.873 -1.307 1.00 0.00 H new ATOM 0 HB2 MET A 34 6.591 -25.108 1.574 1.00 0.00 H new ATOM 0 HB3 MET A 34 7.424 -25.669 0.138 1.00 0.00 H new ATOM 0 HG2 MET A 34 7.071 -22.798 1.062 1.00 0.00 H new ATOM 0 HG3 MET A 34 8.562 -23.716 0.995 1.00 0.00 H new ATOM 0 HE1 MET A 34 8.781 -20.660 -1.595 1.00 0.00 H new ATOM 0 HE2 MET A 34 7.734 -20.703 -0.156 1.00 0.00 H new ATOM 0 HE3 MET A 34 9.405 -21.309 -0.059 1.00 0.00 H new ATOM 512 N LYS A 35 3.308 -25.917 -0.504 1.00 0.00 N ATOM 513 CA LYS A 35 2.199 -26.876 -0.447 1.00 0.00 C ATOM 514 C LYS A 35 1.377 -26.802 0.855 1.00 0.00 C ATOM 515 O LYS A 35 0.513 -27.655 1.066 1.00 0.00 O ATOM 516 CB LYS A 35 2.607 -28.314 -0.829 1.00 0.00 C ATOM 517 CG LYS A 35 3.311 -28.382 -2.194 1.00 0.00 C ATOM 518 CD LYS A 35 3.558 -29.836 -2.610 1.00 0.00 C ATOM 519 CE LYS A 35 4.278 -29.935 -3.960 1.00 0.00 C ATOM 520 NZ LYS A 35 3.352 -29.616 -5.034 1.00 0.00 N ATOM 0 H LYS A 35 3.027 -25.065 -0.990 1.00 0.00 H new ATOM 0 HA LYS A 35 1.515 -26.552 -1.231 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.269 -28.717 -0.062 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.720 -28.947 -0.849 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.702 -27.883 -2.947 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.260 -27.847 -2.146 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.152 -30.336 -1.845 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.606 -30.363 -2.668 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.125 -29.250 -3.982 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.677 -30.940 -4.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.844 -29.684 -5.948 1.00 0.00 H new ATOM 532 N MET A 36 1.605 -25.788 1.706 1.00 0.00 N ATOM 533 CA MET A 36 0.761 -25.468 2.860 1.00 0.00 C ATOM 534 C MET A 36 -0.183 -24.327 2.465 1.00 0.00 C ATOM 535 O MET A 36 0.063 -23.621 1.485 1.00 0.00 O ATOM 536 CB MET A 36 1.615 -25.053 4.072 1.00 0.00 C ATOM 537 CG MET A 36 2.623 -26.139 4.476 1.00 0.00 C ATOM 538 SD MET A 36 3.632 -25.748 5.935 1.00 0.00 S ATOM 539 CE MET A 36 4.721 -24.473 5.243 1.00 0.00 C ATOM 0 H MET A 36 2.400 -25.157 1.605 1.00 0.00 H new ATOM 0 HA MET A 36 0.190 -26.351 3.147 1.00 0.00 H new ATOM 0 HB2 MET A 36 2.150 -24.133 3.838 1.00 0.00 H new ATOM 0 HB3 MET A 36 0.961 -24.835 4.917 1.00 0.00 H new ATOM 0 HG2 MET A 36 2.080 -27.065 4.666 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.288 -26.327 3.633 1.00 0.00 H new ATOM 0 HE1 MET A 36 5.465 -24.187 5.987 1.00 0.00 H new ATOM 0 HE2 MET A 36 5.224 -24.865 4.359 1.00 0.00 H new ATOM 0 HE3 MET A 36 4.130 -23.600 4.967 1.00 0.00 H new ATOM 549 N GLU A 37 -1.247 -24.128 3.236 1.00 0.00 N ATOM 550 CA GLU A 37 -2.321 -23.188 2.951 1.00 0.00 C ATOM 551 C GLU A 37 -2.383 -22.160 4.080 1.00 0.00 C ATOM 552 O GLU A 37 -2.461 -22.541 5.251 1.00 0.00 O ATOM 553 CB GLU A 37 -3.653 -23.947 2.755 1.00 0.00 C ATOM 554 CG GLU A 37 -4.162 -24.869 3.882 1.00 0.00 C ATOM 555 CD GLU A 37 -3.335 -26.156 4.065 1.00 0.00 C ATOM 556 OE1 GLU A 37 -2.368 -26.157 4.860 1.00 0.00 O ATOM 557 OE2 GLU A 37 -3.664 -27.186 3.432 1.00 0.00 O ATOM 0 H GLU A 37 -1.389 -24.637 4.109 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.132 -22.653 2.020 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.428 -23.206 2.561 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.557 -24.552 1.853 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.161 -24.313 4.820 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.197 -25.142 3.674 1.00 0.00 H new ATOM 564 N ILE A 38 -2.312 -20.862 3.752 1.00 0.00 N ATOM 565 CA ILE A 38 -2.285 -19.801 4.763 1.00 0.00 C ATOM 566 C ILE A 38 -3.151 -18.631 4.260 1.00 0.00 C ATOM 567 O ILE A 38 -2.724 -17.917 3.350 1.00 0.00 O ATOM 568 CB ILE A 38 -0.832 -19.370 5.116 1.00 0.00 C ATOM 569 CG1 ILE A 38 0.122 -20.571 5.332 1.00 0.00 C ATOM 570 CG2 ILE A 38 -0.851 -18.462 6.361 1.00 0.00 C ATOM 571 CD1 ILE A 38 1.572 -20.182 5.622 1.00 0.00 C ATOM 0 H ILE A 38 -2.272 -20.523 2.791 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.703 -20.172 5.699 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.440 -18.820 4.260 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.253 -21.172 6.160 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.099 -21.202 4.444 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.167 -18.161 6.607 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.452 -17.576 6.156 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.282 -19.006 7.202 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.170 -21.083 5.760 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.969 -19.608 4.785 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.612 -19.578 6.528 1.00 0.00 H new ATOM 583 N PRO A 39 -4.379 -18.443 4.783 1.00 0.00 N ATOM 584 CA PRO A 39 -5.181 -17.248 4.535 1.00 0.00 C ATOM 585 C PRO A 39 -4.412 -15.992 4.940 1.00 0.00 C ATOM 586 O PRO A 39 -3.685 -16.008 5.938 1.00 0.00 O ATOM 587 CB PRO A 39 -6.437 -17.375 5.408 1.00 0.00 C ATOM 588 CG PRO A 39 -6.530 -18.875 5.690 1.00 0.00 C ATOM 589 CD PRO A 39 -5.071 -19.327 5.703 1.00 0.00 C ATOM 0 HA PRO A 39 -5.428 -17.165 3.477 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.345 -16.799 6.329 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.324 -17.009 4.890 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.020 -19.075 6.643 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.104 -19.393 4.922 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -4.648 -19.258 6.705 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -4.980 -20.367 5.390 1.00 0.00 H new ATOM 597 N ILE A 40 -4.646 -14.887 4.235 1.00 0.00 N ATOM 598 CA ILE A 40 -4.079 -13.586 4.546 1.00 0.00 C ATOM 599 C ILE A 40 -5.275 -12.648 4.610 1.00 0.00 C ATOM 600 O ILE A 40 -6.014 -12.483 3.633 1.00 0.00 O ATOM 601 CB ILE A 40 -3.027 -13.162 3.494 1.00 0.00 C ATOM 602 CG1 ILE A 40 -2.015 -14.273 3.133 1.00 0.00 C ATOM 603 CG2 ILE A 40 -2.283 -11.893 3.944 1.00 0.00 C ATOM 604 CD1 ILE A 40 -1.141 -14.771 4.296 1.00 0.00 C ATOM 0 H ILE A 40 -5.250 -14.876 3.413 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.530 -13.581 5.488 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.591 -12.955 2.585 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.563 -15.121 2.723 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.362 -13.904 2.342 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.549 -11.614 3.188 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.997 -11.079 4.074 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.776 -12.085 4.890 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.467 -15.548 3.937 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.558 -13.941 4.695 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.778 -15.177 5.082 1.00 0.00 H new ATOM 616 N VAL A 41 -5.480 -12.064 5.784 1.00 0.00 N ATOM 617 CA VAL A 41 -6.648 -11.274 6.122 1.00 0.00 C ATOM 618 C VAL A 41 -6.206 -9.843 6.445 1.00 0.00 C ATOM 619 O VAL A 41 -5.053 -9.604 6.812 1.00 0.00 O ATOM 620 CB VAL A 41 -7.441 -11.941 7.270 1.00 0.00 C ATOM 621 CG1 VAL A 41 -8.268 -13.139 6.779 1.00 0.00 C ATOM 622 CG2 VAL A 41 -6.546 -12.468 8.408 1.00 0.00 C ATOM 0 H VAL A 41 -4.811 -12.132 6.551 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.332 -11.224 5.275 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.083 -11.143 7.644 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.808 -13.577 7.618 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.980 -12.805 6.024 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.604 -13.887 6.346 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.168 -12.923 9.179 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.855 -13.213 8.013 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.981 -11.642 8.839 1.00 0.00 H new ATOM 632 N ALA A 42 -7.125 -8.894 6.264 1.00 0.00 N ATOM 633 CA ALA A 42 -6.883 -7.474 6.400 1.00 0.00 C ATOM 634 C ALA A 42 -6.470 -7.175 7.838 1.00 0.00 C ATOM 635 O ALA A 42 -7.258 -7.368 8.765 1.00 0.00 O ATOM 636 CB ALA A 42 -8.157 -6.709 6.038 1.00 0.00 C ATOM 0 H ALA A 42 -8.089 -9.110 6.010 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.083 -7.161 5.729 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.980 -5.638 6.139 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.437 -6.935 5.009 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.964 -7.008 6.708 1.00 0.00 H new ATOM 642 N ASP A 43 -5.244 -6.682 8.003 1.00 0.00 N ATOM 643 CA ASP A 43 -4.711 -6.240 9.298 1.00 0.00 C ATOM 644 C ASP A 43 -5.526 -5.085 9.897 1.00 0.00 C ATOM 645 O ASP A 43 -5.606 -4.952 11.118 1.00 0.00 O ATOM 646 CB ASP A 43 -3.244 -5.817 9.144 1.00 0.00 C ATOM 647 CG ASP A 43 -2.666 -5.284 10.467 1.00 0.00 C ATOM 648 OD1 ASP A 43 -2.374 -6.098 11.373 1.00 0.00 O ATOM 649 OD2 ASP A 43 -2.462 -4.055 10.580 1.00 0.00 O ATOM 0 H ASP A 43 -4.582 -6.575 7.234 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.783 -7.083 9.985 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.653 -6.668 8.805 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.165 -5.048 8.376 1.00 0.00 H new ATOM 654 N ARG A 44 -6.166 -4.270 9.049 1.00 0.00 N ATOM 655 CA ARG A 44 -7.048 -3.180 9.448 1.00 0.00 C ATOM 656 C ARG A 44 -8.088 -2.950 8.357 1.00 0.00 C ATOM 657 O ARG A 44 -7.863 -3.319 7.204 1.00 0.00 O ATOM 658 CB ARG A 44 -6.250 -1.887 9.732 1.00 0.00 C ATOM 659 CG ARG A 44 -5.528 -1.247 8.526 1.00 0.00 C ATOM 660 CD ARG A 44 -4.163 -1.850 8.168 1.00 0.00 C ATOM 661 NE ARG A 44 -3.181 -1.711 9.253 1.00 0.00 N ATOM 662 CZ ARG A 44 -2.515 -0.602 9.594 1.00 0.00 C ATOM 663 NH1 ARG A 44 -2.700 0.550 8.958 1.00 0.00 N ATOM 664 NH2 ARG A 44 -1.643 -0.651 10.593 1.00 0.00 N ATOM 0 H ARG A 44 -6.078 -4.359 8.037 1.00 0.00 H new ATOM 0 HA ARG A 44 -7.553 -3.455 10.374 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.933 -1.149 10.152 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.507 -2.106 10.499 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.178 -1.324 7.655 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.393 -0.185 8.729 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.288 -2.906 7.929 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.779 -1.364 7.271 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.987 -2.548 9.803 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.365 0.606 8.187 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.177 1.379 9.241 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.487 -1.527 11.091 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.129 0.188 10.863 1.00 0.00 H new ATOM 678 N SER A 45 -9.199 -2.316 8.715 1.00 0.00 N ATOM 679 CA SER A 45 -10.180 -1.830 7.757 1.00 0.00 C ATOM 680 C SER A 45 -9.596 -0.645 6.975 1.00 0.00 C ATOM 681 O SER A 45 -8.693 0.035 7.472 1.00 0.00 O ATOM 682 CB SER A 45 -11.435 -1.410 8.533 1.00 0.00 C ATOM 683 OG SER A 45 -11.832 -2.445 9.424 1.00 0.00 O ATOM 0 H SER A 45 -9.444 -2.124 9.686 1.00 0.00 H new ATOM 0 HA SER A 45 -10.439 -2.609 7.040 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.237 -0.496 9.092 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.244 -1.189 7.837 1.00 0.00 H new ATOM 0 HG SER A 45 -12.633 -2.165 9.915 1.00 0.00 H new ATOM 689 N GLY A 46 -10.121 -0.348 5.786 1.00 0.00 N ATOM 690 CA GLY A 46 -9.748 0.847 5.037 1.00 0.00 C ATOM 691 C GLY A 46 -10.139 0.753 3.569 1.00 0.00 C ATOM 692 O GLY A 46 -10.797 -0.202 3.149 1.00 0.00 O ATOM 0 H GLY A 46 -10.816 -0.930 5.318 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.228 1.718 5.484 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.672 1.001 5.115 1.00 0.00 H new ATOM 696 N ILE A 47 -9.738 1.758 2.792 1.00 0.00 N ATOM 697 CA ILE A 47 -9.813 1.748 1.336 1.00 0.00 C ATOM 698 C ILE A 47 -8.413 1.342 0.878 1.00 0.00 C ATOM 699 O ILE A 47 -7.420 1.878 1.378 1.00 0.00 O ATOM 700 CB ILE A 47 -10.228 3.144 0.805 1.00 0.00 C ATOM 701 CG1 ILE A 47 -11.692 3.485 1.164 1.00 0.00 C ATOM 702 CG2 ILE A 47 -10.001 3.294 -0.712 1.00 0.00 C ATOM 703 CD1 ILE A 47 -12.758 2.717 0.368 1.00 0.00 C ATOM 0 H ILE A 47 -9.343 2.620 3.168 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.565 1.058 0.953 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.575 3.858 1.307 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -11.844 3.290 2.226 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.847 4.553 1.011 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -10.309 4.290 -1.029 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.944 3.152 -0.938 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.589 2.546 -1.244 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -13.750 3.028 0.695 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.642 2.930 -0.695 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.639 1.647 0.539 1.00 0.00 H new ATOM 715 N VAL A 48 -8.324 0.397 -0.050 1.00 0.00 N ATOM 716 CA VAL A 48 -7.072 -0.003 -0.667 1.00 0.00 C ATOM 717 C VAL A 48 -6.590 1.165 -1.526 1.00 0.00 C ATOM 718 O VAL A 48 -7.313 1.620 -2.416 1.00 0.00 O ATOM 719 CB VAL A 48 -7.284 -1.282 -1.495 1.00 0.00 C ATOM 720 CG1 VAL A 48 -5.967 -1.738 -2.137 1.00 0.00 C ATOM 721 CG2 VAL A 48 -7.835 -2.433 -0.637 1.00 0.00 C ATOM 0 H VAL A 48 -9.133 -0.118 -0.398 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.314 -0.234 0.081 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.012 -1.037 -2.269 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.140 -2.644 -2.718 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.591 -0.953 -2.793 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.233 -1.942 -1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.971 -3.318 -1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.132 -2.658 0.165 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.793 -2.141 -0.208 1.00 0.00 H new ATOM 731 N LYS A 49 -5.365 1.637 -1.293 1.00 0.00 N ATOM 732 CA LYS A 49 -4.731 2.629 -2.145 1.00 0.00 C ATOM 733 C LYS A 49 -3.977 1.904 -3.256 1.00 0.00 C ATOM 734 O LYS A 49 -4.081 2.327 -4.407 1.00 0.00 O ATOM 735 CB LYS A 49 -3.823 3.532 -1.293 1.00 0.00 C ATOM 736 CG LYS A 49 -3.099 4.598 -2.133 1.00 0.00 C ATOM 737 CD LYS A 49 -1.989 5.277 -1.320 1.00 0.00 C ATOM 738 CE LYS A 49 -1.289 6.404 -2.097 1.00 0.00 C ATOM 739 NZ LYS A 49 -2.160 7.588 -2.321 1.00 0.00 N ATOM 0 H LYS A 49 -4.788 1.339 -0.506 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.469 3.279 -2.614 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.421 4.023 -0.526 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.085 2.917 -0.777 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.672 4.137 -3.024 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.815 5.346 -2.474 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.413 5.683 -0.402 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.251 4.531 -1.027 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.398 6.714 -1.551 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.955 6.019 -3.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.632 8.312 -2.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.999 7.304 -2.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.459 7.977 -1.404 1.00 0.00 H new ATOM 753 N GLU A 50 -3.254 0.815 -2.961 1.00 0.00 N ATOM 754 CA GLU A 50 -2.463 0.118 -3.968 1.00 0.00 C ATOM 755 C GLU A 50 -2.277 -1.338 -3.543 1.00 0.00 C ATOM 756 O GLU A 50 -2.315 -1.636 -2.348 1.00 0.00 O ATOM 757 CB GLU A 50 -1.101 0.828 -4.121 1.00 0.00 C ATOM 758 CG GLU A 50 -0.514 0.631 -5.523 1.00 0.00 C ATOM 759 CD GLU A 50 0.769 1.452 -5.731 1.00 0.00 C ATOM 760 OE1 GLU A 50 1.813 1.102 -5.138 1.00 0.00 O ATOM 761 OE2 GLU A 50 0.747 2.440 -6.501 1.00 0.00 O ATOM 0 H GLU A 50 -3.205 0.402 -2.030 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.974 0.134 -4.931 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.221 1.893 -3.923 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.404 0.442 -3.377 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.298 -0.426 -5.680 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.254 0.919 -6.270 1.00 0.00 H new ATOM 768 N VAL A 51 -2.023 -2.232 -4.500 1.00 0.00 N ATOM 769 CA VAL A 51 -1.700 -3.635 -4.251 1.00 0.00 C ATOM 770 C VAL A 51 -0.253 -3.812 -4.714 1.00 0.00 C ATOM 771 O VAL A 51 0.089 -3.468 -5.848 1.00 0.00 O ATOM 772 CB VAL A 51 -2.685 -4.582 -4.979 1.00 0.00 C ATOM 773 CG1 VAL A 51 -2.610 -5.996 -4.384 1.00 0.00 C ATOM 774 CG2 VAL A 51 -4.152 -4.120 -4.912 1.00 0.00 C ATOM 0 H VAL A 51 -2.037 -1.994 -5.492 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.799 -3.895 -3.197 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.374 -4.572 -6.024 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.309 -6.649 -4.907 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.598 -6.384 -4.496 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.870 -5.960 -3.326 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.783 -4.833 -5.444 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.468 -4.062 -3.870 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.246 -3.137 -5.375 1.00 0.00 H new ATOM 784 N LYS A 52 0.617 -4.289 -3.822 1.00 0.00 N ATOM 785 CA LYS A 52 2.060 -4.341 -4.046 1.00 0.00 C ATOM 786 C LYS A 52 2.493 -5.646 -4.723 1.00 0.00 C ATOM 787 O LYS A 52 3.669 -5.801 -5.053 1.00 0.00 O ATOM 788 CB LYS A 52 2.774 -4.143 -2.695 1.00 0.00 C ATOM 789 CG LYS A 52 2.413 -2.832 -1.966 1.00 0.00 C ATOM 790 CD LYS A 52 2.815 -1.570 -2.743 1.00 0.00 C ATOM 791 CE LYS A 52 2.443 -0.327 -1.934 1.00 0.00 C ATOM 792 NZ LYS A 52 2.850 0.930 -2.600 1.00 0.00 N ATOM 0 H LYS A 52 0.334 -4.654 -2.913 1.00 0.00 H new ATOM 0 HA LYS A 52 2.341 -3.541 -4.731 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.533 -4.984 -2.044 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.851 -4.167 -2.861 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.339 -2.810 -1.784 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.902 -2.821 -0.992 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.887 -1.579 -2.942 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.312 -1.551 -3.710 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.365 -0.314 -1.770 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.914 -0.383 -0.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.486 1.742 -2.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.888 0.980 -2.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.463 0.953 -3.565 1.00 0.00 H new ATOM 806 N LYS A 53 1.564 -6.584 -4.924 1.00 0.00 N ATOM 807 CA LYS A 53 1.764 -7.896 -5.535 1.00 0.00 C ATOM 808 C LYS A 53 0.518 -8.224 -6.358 1.00 0.00 C ATOM 809 O LYS A 53 -0.424 -7.428 -6.399 1.00 0.00 O ATOM 810 CB LYS A 53 1.981 -8.964 -4.447 1.00 0.00 C ATOM 811 CG LYS A 53 3.234 -8.799 -3.577 1.00 0.00 C ATOM 812 CD LYS A 53 4.506 -9.176 -4.346 1.00 0.00 C ATOM 813 CE LYS A 53 5.711 -9.039 -3.420 1.00 0.00 C ATOM 814 NZ LYS A 53 6.884 -9.818 -3.876 1.00 0.00 N ATOM 0 H LYS A 53 0.594 -6.436 -4.647 1.00 0.00 H new ATOM 0 HA LYS A 53 2.647 -7.885 -6.174 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.109 -8.970 -3.794 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.025 -9.941 -4.929 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.307 -7.767 -3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.146 -9.424 -2.688 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.432 -10.198 -4.717 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.625 -8.529 -5.215 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.987 -7.987 -3.346 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.432 -9.367 -2.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.564 -9.910 -3.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.576 -10.763 -4.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.337 -9.328 -4.674 1.00 0.00 H new ATOM 828 N LYS A 54 0.489 -9.395 -6.994 1.00 0.00 N ATOM 829 CA LYS A 54 -0.663 -9.901 -7.733 1.00 0.00 C ATOM 830 C LYS A 54 -0.717 -11.417 -7.576 1.00 0.00 C ATOM 831 O LYS A 54 0.263 -12.033 -7.152 1.00 0.00 O ATOM 832 CB LYS A 54 -0.620 -9.407 -9.199 1.00 0.00 C ATOM 833 CG LYS A 54 0.691 -9.618 -9.990 1.00 0.00 C ATOM 834 CD LYS A 54 0.898 -11.018 -10.587 1.00 0.00 C ATOM 835 CE LYS A 54 -0.091 -11.284 -11.734 1.00 0.00 C ATOM 836 NZ LYS A 54 0.032 -12.661 -12.269 1.00 0.00 N ATOM 0 H LYS A 54 1.286 -10.032 -7.009 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.597 -9.509 -7.329 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.424 -9.903 -9.744 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.844 -8.340 -9.200 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.724 -8.890 -10.801 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.530 -9.398 -9.330 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.920 -11.112 -10.955 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.769 -11.771 -9.809 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.109 -11.123 -11.379 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.084 -10.567 -12.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.579 -12.765 -13.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.020 -12.842 -12.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.259 -13.344 -11.540 1.00 0.00 H new ATOM 850 N GLU A 55 -1.863 -12.014 -7.896 1.00 0.00 N ATOM 851 CA GLU A 55 -2.066 -13.457 -7.872 1.00 0.00 C ATOM 852 C GLU A 55 -0.987 -14.141 -8.719 1.00 0.00 C ATOM 853 O GLU A 55 -0.845 -13.852 -9.908 1.00 0.00 O ATOM 854 CB GLU A 55 -3.485 -13.748 -8.377 1.00 0.00 C ATOM 855 CG GLU A 55 -3.849 -15.236 -8.327 1.00 0.00 C ATOM 856 CD GLU A 55 -5.315 -15.465 -8.737 1.00 0.00 C ATOM 857 OE1 GLU A 55 -6.228 -14.962 -8.046 1.00 0.00 O ATOM 858 OE2 GLU A 55 -5.561 -16.144 -9.762 1.00 0.00 O ATOM 0 H GLU A 55 -2.692 -11.495 -8.185 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.974 -13.855 -6.862 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.200 -13.185 -7.777 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.579 -13.392 -9.403 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.191 -15.796 -8.991 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.686 -15.619 -7.320 1.00 0.00 H new ATOM 865 N GLY A 56 -0.213 -15.026 -8.096 1.00 0.00 N ATOM 866 CA GLY A 56 0.861 -15.786 -8.713 1.00 0.00 C ATOM 867 C GLY A 56 2.248 -15.258 -8.343 1.00 0.00 C ATOM 868 O GLY A 56 3.234 -15.910 -8.695 1.00 0.00 O ATOM 0 H GLY A 56 -0.325 -15.239 -7.105 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.782 -16.830 -8.410 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.744 -15.759 -9.796 1.00 0.00 H new ATOM 872 N ASP A 57 2.365 -14.103 -7.670 1.00 0.00 N ATOM 873 CA ASP A 57 3.681 -13.547 -7.344 1.00 0.00 C ATOM 874 C ASP A 57 4.321 -14.338 -6.196 1.00 0.00 C ATOM 875 O ASP A 57 3.625 -14.952 -5.380 1.00 0.00 O ATOM 876 CB ASP A 57 3.603 -12.049 -6.998 1.00 0.00 C ATOM 877 CG ASP A 57 4.900 -11.282 -7.331 1.00 0.00 C ATOM 878 OD1 ASP A 57 5.985 -11.891 -7.458 1.00 0.00 O ATOM 879 OD2 ASP A 57 4.816 -10.048 -7.510 1.00 0.00 O ATOM 0 H ASP A 57 1.575 -13.545 -7.346 1.00 0.00 H new ATOM 0 HA ASP A 57 4.309 -13.639 -8.230 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.772 -11.599 -7.542 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.385 -11.939 -5.936 1.00 0.00 H new ATOM 884 N PHE A 58 5.648 -14.305 -6.118 1.00 0.00 N ATOM 885 CA PHE A 58 6.421 -14.865 -5.020 1.00 0.00 C ATOM 886 C PHE A 58 6.443 -13.844 -3.885 1.00 0.00 C ATOM 887 O PHE A 58 6.503 -12.633 -4.133 1.00 0.00 O ATOM 888 CB PHE A 58 7.845 -15.157 -5.504 1.00 0.00 C ATOM 889 CG PHE A 58 8.765 -15.698 -4.424 1.00 0.00 C ATOM 890 CD1 PHE A 58 8.682 -17.051 -4.038 1.00 0.00 C ATOM 891 CD2 PHE A 58 9.686 -14.846 -3.782 1.00 0.00 C ATOM 892 CE1 PHE A 58 9.524 -17.550 -3.028 1.00 0.00 C ATOM 893 CE2 PHE A 58 10.526 -15.346 -2.771 1.00 0.00 C ATOM 894 CZ PHE A 58 10.450 -16.700 -2.398 1.00 0.00 C ATOM 0 H PHE A 58 6.229 -13.876 -6.838 1.00 0.00 H new ATOM 0 HA PHE A 58 5.976 -15.795 -4.667 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.800 -15.876 -6.322 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.275 -14.241 -5.908 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.970 -17.706 -4.519 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.747 -13.806 -4.067 1.00 0.00 H new ATOM 0 HE1 PHE A 58 9.459 -18.588 -2.736 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.230 -14.690 -2.281 1.00 0.00 H new ATOM 0 HZ PHE A 58 11.102 -17.086 -1.629 1.00 0.00 H new ATOM 904 N VAL A 59 6.418 -14.323 -2.644 1.00 0.00 N ATOM 905 CA VAL A 59 6.324 -13.488 -1.457 1.00 0.00 C ATOM 906 C VAL A 59 7.033 -14.161 -0.281 1.00 0.00 C ATOM 907 O VAL A 59 7.339 -15.360 -0.315 1.00 0.00 O ATOM 908 CB VAL A 59 4.846 -13.203 -1.126 1.00 0.00 C ATOM 909 CG1 VAL A 59 4.206 -12.190 -2.080 1.00 0.00 C ATOM 910 CG2 VAL A 59 3.966 -14.460 -1.102 1.00 0.00 C ATOM 0 H VAL A 59 6.463 -15.320 -2.435 1.00 0.00 H new ATOM 0 HA VAL A 59 6.819 -12.536 -1.649 1.00 0.00 H new ATOM 0 HB VAL A 59 4.885 -12.784 -0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.166 -12.030 -1.797 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.747 -11.245 -2.024 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.250 -12.573 -3.100 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.940 -14.181 -0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.992 -14.941 -2.080 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.340 -15.152 -0.347 1.00 0.00 H new ATOM 920 N ASN A 60 7.308 -13.392 0.775 1.00 0.00 N ATOM 921 CA ASN A 60 7.999 -13.881 1.959 1.00 0.00 C ATOM 922 C ASN A 60 7.514 -13.161 3.207 1.00 0.00 C ATOM 923 O ASN A 60 6.813 -12.155 3.111 1.00 0.00 O ATOM 924 CB ASN A 60 9.526 -13.764 1.777 1.00 0.00 C ATOM 925 CG ASN A 60 10.186 -15.138 1.805 1.00 0.00 C ATOM 926 OD1 ASN A 60 10.964 -15.447 2.701 1.00 0.00 O ATOM 927 ND2 ASN A 60 9.858 -15.997 0.851 1.00 0.00 N ATOM 0 H ASN A 60 7.053 -12.406 0.828 1.00 0.00 H new ATOM 0 HA ASN A 60 7.765 -14.937 2.091 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.746 -13.270 0.831 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.943 -13.140 2.567 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.255 -16.937 0.852 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.209 -15.719 0.115 1.00 0.00 H new ATOM 934 N GLU A 61 7.884 -13.673 4.382 1.00 0.00 N ATOM 935 CA GLU A 61 7.552 -13.037 5.654 1.00 0.00 C ATOM 936 C GLU A 61 8.127 -11.613 5.671 1.00 0.00 C ATOM 937 O GLU A 61 9.338 -11.426 5.535 1.00 0.00 O ATOM 938 CB GLU A 61 8.069 -13.927 6.799 1.00 0.00 C ATOM 939 CG GLU A 61 7.680 -13.450 8.208 1.00 0.00 C ATOM 940 CD GLU A 61 8.592 -12.341 8.768 1.00 0.00 C ATOM 941 OE1 GLU A 61 9.785 -12.605 9.046 1.00 0.00 O ATOM 942 OE2 GLU A 61 8.110 -11.208 8.984 1.00 0.00 O ATOM 0 H GLU A 61 8.420 -14.536 4.477 1.00 0.00 H new ATOM 0 HA GLU A 61 6.475 -12.938 5.788 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.689 -14.939 6.655 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.156 -13.982 6.736 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.653 -13.085 8.186 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.702 -14.302 8.888 1.00 0.00 H new ATOM 949 N GLY A 62 7.248 -10.617 5.809 1.00 0.00 N ATOM 950 CA GLY A 62 7.594 -9.203 5.850 1.00 0.00 C ATOM 951 C GLY A 62 7.561 -8.539 4.471 1.00 0.00 C ATOM 952 O GLY A 62 7.779 -7.329 4.385 1.00 0.00 O ATOM 0 H GLY A 62 6.246 -10.783 5.898 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.902 -8.684 6.514 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.590 -9.091 6.278 1.00 0.00 H new ATOM 956 N ASP A 63 7.303 -9.289 3.394 1.00 0.00 N ATOM 957 CA ASP A 63 7.154 -8.734 2.054 1.00 0.00 C ATOM 958 C ASP A 63 5.768 -8.096 1.961 1.00 0.00 C ATOM 959 O ASP A 63 4.794 -8.638 2.482 1.00 0.00 O ATOM 960 CB ASP A 63 7.330 -9.833 0.999 1.00 0.00 C ATOM 961 CG ASP A 63 7.557 -9.291 -0.418 1.00 0.00 C ATOM 962 OD1 ASP A 63 7.549 -8.061 -0.642 1.00 0.00 O ATOM 963 OD2 ASP A 63 7.780 -10.130 -1.318 1.00 0.00 O ATOM 0 H ASP A 63 7.192 -10.302 3.433 1.00 0.00 H new ATOM 0 HA ASP A 63 7.919 -7.980 1.865 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.175 -10.462 1.279 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.445 -10.470 0.998 1.00 0.00 H new ATOM 968 N VAL A 64 5.675 -6.923 1.352 1.00 0.00 N ATOM 969 CA VAL A 64 4.450 -6.131 1.303 1.00 0.00 C ATOM 970 C VAL A 64 3.374 -6.807 0.438 1.00 0.00 C ATOM 971 O VAL A 64 3.684 -7.611 -0.445 1.00 0.00 O ATOM 972 CB VAL A 64 4.779 -4.701 0.827 1.00 0.00 C ATOM 973 CG1 VAL A 64 5.526 -3.929 1.923 1.00 0.00 C ATOM 974 CG2 VAL A 64 5.605 -4.652 -0.471 1.00 0.00 C ATOM 0 H VAL A 64 6.460 -6.486 0.870 1.00 0.00 H new ATOM 0 HA VAL A 64 4.028 -6.065 2.306 1.00 0.00 H new ATOM 0 HB VAL A 64 3.817 -4.235 0.614 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.750 -2.922 1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.903 -3.871 2.816 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.456 -4.445 2.162 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.796 -3.614 -0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.553 -5.168 -0.319 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.051 -5.140 -1.273 1.00 0.00 H new ATOM 984 N LEU A 65 2.106 -6.434 0.659 1.00 0.00 N ATOM 985 CA LEU A 65 0.964 -6.903 -0.128 1.00 0.00 C ATOM 986 C LEU A 65 0.030 -5.754 -0.490 1.00 0.00 C ATOM 987 O LEU A 65 -0.445 -5.712 -1.623 1.00 0.00 O ATOM 988 CB LEU A 65 0.171 -7.962 0.671 1.00 0.00 C ATOM 989 CG LEU A 65 -1.176 -8.390 0.035 1.00 0.00 C ATOM 990 CD1 LEU A 65 -0.990 -9.095 -1.315 1.00 0.00 C ATOM 991 CD2 LEU A 65 -1.957 -9.299 0.989 1.00 0.00 C ATOM 0 H LEU A 65 1.844 -5.787 1.403 1.00 0.00 H new ATOM 0 HA LEU A 65 1.353 -7.341 -1.047 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.796 -8.847 0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.024 -7.571 1.670 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.741 -7.476 -0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.964 -9.374 -1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.489 -8.422 -2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.384 -9.991 -1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.900 -9.589 0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.369 -10.191 1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.159 -8.764 1.917 1.00 0.00 H new ATOM 1003 N LEU A 66 -0.223 -4.812 0.422 1.00 0.00 N ATOM 1004 CA LEU A 66 -1.277 -3.831 0.250 1.00 0.00 C ATOM 1005 C LEU A 66 -0.877 -2.529 0.917 1.00 0.00 C ATOM 1006 O LEU A 66 -0.266 -2.539 1.988 1.00 0.00 O ATOM 1007 CB LEU A 66 -2.529 -4.407 0.944 1.00 0.00 C ATOM 1008 CG LEU A 66 -3.891 -4.044 0.341 1.00 0.00 C ATOM 1009 CD1 LEU A 66 -3.983 -4.470 -1.121 1.00 0.00 C ATOM 1010 CD2 LEU A 66 -4.975 -4.795 1.125 1.00 0.00 C ATOM 0 H LEU A 66 0.299 -4.715 1.293 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.464 -3.631 -0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.441 -5.493 0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.521 -4.079 1.983 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.022 -2.963 0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.961 -4.198 -1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.205 -3.968 -1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.849 -5.549 -1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.955 -4.553 0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.804 -5.869 1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.938 -4.498 2.173 1.00 0.00 H new ATOM 1022 N GLU A 67 -1.294 -1.418 0.329 1.00 0.00 N ATOM 1023 CA GLU A 67 -1.205 -0.092 0.908 1.00 0.00 C ATOM 1024 C GLU A 67 -2.615 0.461 0.893 1.00 0.00 C ATOM 1025 O GLU A 67 -3.382 0.184 -0.031 1.00 0.00 O ATOM 1026 CB GLU A 67 -0.227 0.764 0.097 1.00 0.00 C ATOM 1027 CG GLU A 67 -0.007 2.158 0.700 1.00 0.00 C ATOM 1028 CD GLU A 67 1.173 2.917 0.064 1.00 0.00 C ATOM 1029 OE1 GLU A 67 1.410 2.786 -1.158 1.00 0.00 O ATOM 1030 OE2 GLU A 67 1.876 3.659 0.788 1.00 0.00 O ATOM 0 H GLU A 67 -1.719 -1.418 -0.598 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.820 -0.102 1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.731 0.248 0.031 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.603 0.870 -0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.916 2.747 0.579 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.168 2.059 1.771 1.00 0.00 H new ATOM 1037 N LEU A 68 -2.969 1.223 1.921 1.00 0.00 N ATOM 1038 CA LEU A 68 -4.330 1.663 2.175 1.00 0.00 C ATOM 1039 C LEU A 68 -4.320 3.167 2.384 1.00 0.00 C ATOM 1040 O LEU A 68 -3.294 3.738 2.754 1.00 0.00 O ATOM 1041 CB LEU A 68 -4.874 1.019 3.467 1.00 0.00 C ATOM 1042 CG LEU A 68 -4.784 -0.509 3.605 1.00 0.00 C ATOM 1043 CD1 LEU A 68 -5.442 -0.914 4.926 1.00 0.00 C ATOM 1044 CD2 LEU A 68 -5.463 -1.262 2.463 1.00 0.00 C ATOM 0 H LEU A 68 -2.301 1.558 2.615 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.955 1.377 1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.344 1.462 4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.922 1.302 3.565 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.728 -0.777 3.576 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.388 -1.996 5.042 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.921 -0.434 5.754 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.486 -0.601 4.923 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.362 -2.335 2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.520 -0.998 2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.993 -0.991 1.518 1.00 0.00 H new ATOM 1056 N SER A 69 -5.468 3.812 2.229 1.00 0.00 N ATOM 1057 CA SER A 69 -5.602 5.199 2.648 1.00 0.00 C ATOM 1058 C SER A 69 -5.460 5.259 4.187 1.00 0.00 C ATOM 1059 O SER A 69 -4.892 6.208 4.730 1.00 0.00 O ATOM 1060 CB SER A 69 -6.944 5.743 2.150 1.00 0.00 C ATOM 1061 OG SER A 69 -7.097 5.492 0.760 1.00 0.00 O ATOM 0 H SER A 69 -6.309 3.403 1.822 1.00 0.00 H new ATOM 0 HA SER A 69 -4.823 5.828 2.218 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.760 5.276 2.702 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.002 6.815 2.341 1.00 0.00 H new ATOM 0 HG SER A 69 -7.960 5.844 0.457 1.00 0.00 H new ATOM 1067 N ASN A 70 -5.889 4.195 4.888 1.00 0.00 N ATOM 1068 CA ASN A 70 -5.667 3.966 6.318 1.00 0.00 C ATOM 1069 C ASN A 70 -4.272 3.367 6.572 1.00 0.00 C ATOM 1070 O ASN A 70 -4.143 2.233 7.045 1.00 0.00 O ATOM 1071 CB ASN A 70 -6.788 3.086 6.903 1.00 0.00 C ATOM 1072 CG ASN A 70 -6.680 2.955 8.423 1.00 0.00 C ATOM 1073 OD1 ASN A 70 -6.079 3.783 9.103 1.00 0.00 O ATOM 1074 ND2 ASN A 70 -7.280 1.930 9.003 1.00 0.00 N ATOM 0 H ASN A 70 -6.422 3.443 4.451 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.699 4.926 6.833 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -7.757 3.513 6.644 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.745 2.096 6.450 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.245 1.825 10.017 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.778 1.244 8.437 1.00 0.00 H new ATOM 1081 N SER A 71 -3.228 4.124 6.225 1.00 0.00 N ATOM 1082 CA SER A 71 -1.828 3.804 6.532 1.00 0.00 C ATOM 1083 C SER A 71 -1.180 4.912 7.384 1.00 0.00 C ATOM 1084 O SER A 71 0.042 4.968 7.530 1.00 0.00 O ATOM 1085 CB SER A 71 -1.038 3.539 5.245 1.00 0.00 C ATOM 1086 OG SER A 71 -1.692 2.577 4.439 1.00 0.00 O ATOM 0 H SER A 71 -3.333 4.998 5.710 1.00 0.00 H new ATOM 0 HA SER A 71 -1.807 2.890 7.125 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.922 4.468 4.687 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.036 3.190 5.494 1.00 0.00 H new ATOM 0 HG SER A 71 -2.464 2.990 3.998 1.00 0.00 H new ATOM 1092 N THR A 72 -1.995 5.799 7.963 1.00 0.00 N ATOM 1093 CA THR A 72 -1.611 6.792 8.966 1.00 0.00 C ATOM 1094 C THR A 72 -1.282 6.146 10.330 1.00 0.00 C ATOM 1095 O THR A 72 -0.888 6.833 11.276 1.00 0.00 O ATOM 1096 CB THR A 72 -2.778 7.796 9.079 1.00 0.00 C ATOM 1097 OG1 THR A 72 -4.023 7.109 9.060 1.00 0.00 O ATOM 1098 CG2 THR A 72 -2.772 8.774 7.899 1.00 0.00 C ATOM 0 H THR A 72 -2.988 5.845 7.733 1.00 0.00 H new ATOM 0 HA THR A 72 -0.696 7.299 8.659 1.00 0.00 H new ATOM 0 HB THR A 72 -2.652 8.338 10.016 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.755 7.756 9.134 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.603 9.472 8.000 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.833 9.327 7.890 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.876 8.219 6.966 1.00 0.00 H new ATOM 1106 N GLN A 73 -1.440 4.826 10.435 1.00 0.00 N ATOM 1107 CA GLN A 73 -1.203 3.959 11.577 1.00 0.00 C ATOM 1108 C GLN A 73 -0.826 2.593 10.998 1.00 0.00 C ATOM 1109 O GLN A 73 -0.499 1.662 11.759 1.00 0.00 O ATOM 1110 CB GLN A 73 -2.475 3.877 12.447 1.00 0.00 C ATOM 1111 CG GLN A 73 -3.710 3.310 11.715 1.00 0.00 C ATOM 1112 CD GLN A 73 -4.988 3.385 12.559 1.00 0.00 C ATOM 1113 OE1 GLN A 73 -4.987 3.161 13.768 1.00 0.00 O ATOM 1114 NE2 GLN A 73 -6.111 3.706 11.941 1.00 0.00 N ATOM 1115 OXT GLN A 73 -0.922 2.430 9.761 1.00 0.00 O ATOM 0 H GLN A 73 -1.772 4.287 9.635 1.00 0.00 H new ATOM 0 HA GLN A 73 -0.408 4.334 12.221 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.266 3.255 13.318 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.713 4.874 12.817 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.861 3.861 10.786 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.520 2.272 11.443 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.106 3.891 10.938 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -6.983 3.769 12.467 1.00 0.00 H new TER 1124 GLN A 73 HETATM 1125 C11 BTI A 135 3.354 -28.494 -5.768 1.00 0.00 C HETATM 1126 O11 BTI A 135 4.188 -27.597 -5.658 1.00 0.00 O HETATM 1127 C10 BTI A 135 2.216 -28.380 -6.783 1.00 0.00 C HETATM 1128 C9 BTI A 135 1.272 -27.197 -6.529 1.00 0.00 C HETATM 1129 C8 BTI A 135 0.859 -27.036 -5.058 1.00 0.00 C HETATM 1130 C7 BTI A 135 -0.418 -26.201 -4.921 1.00 0.00 C HETATM 1131 C2 BTI A 135 -0.825 -26.115 -3.443 1.00 0.00 C HETATM 1132 S1 BTI A 135 -1.333 -27.654 -2.645 1.00 0.00 S HETATM 1133 C6 BTI A 135 -1.967 -26.681 -1.272 1.00 0.00 C HETATM 1134 C5 BTI A 135 -2.602 -25.407 -1.840 1.00 0.00 C HETATM 1135 N3 BTI A 135 -3.969 -25.654 -2.255 1.00 0.00 N HETATM 1136 C3 BTI A 135 -4.210 -25.554 -3.567 1.00 0.00 C HETATM 1137 O3 BTI A 135 -5.277 -25.731 -4.149 1.00 0.00 O HETATM 1138 N2 BTI A 135 -3.039 -25.197 -4.102 1.00 0.00 N HETATM 1139 C4 BTI A 135 -1.930 -25.073 -3.173 1.00 0.00 C HETATM 0 H103 BTI A 135 2.642 -28.285 -7.782 1.00 0.00 H new HETATM 0 H102 BTI A 135 1.637 -29.303 -6.770 1.00 0.00 H new HETATM 0 HN3 BTI A 135 -4.703 -25.890 -1.587 1.00 0.00 H new HETATM 0 HN2 BTI A 135 -2.931 -25.022 -5.101 1.00 0.00 H new HETATM 0 H93 BTI A 135 1.757 -26.280 -6.863 1.00 0.00 H new HETATM 0 H92 BTI A 135 0.376 -27.323 -7.136 1.00 0.00 H new HETATM 0 H83 BTI A 135 0.702 -28.019 -4.614 1.00 0.00 H new HETATM 0 H82 BTI A 135 1.667 -26.561 -4.502 1.00 0.00 H new HETATM 0 H73 BTI A 135 -0.254 -25.201 -5.322 1.00 0.00 H new HETATM 0 H72 BTI A 135 -1.222 -26.650 -5.504 1.00 0.00 H new HETATM 0 H63 BTI A 135 -2.703 -27.254 -0.708 1.00 0.00 H new HETATM 0 H62 BTI A 135 -1.162 -26.429 -0.581 1.00 0.00 H new HETATM 0 H5 BTI A 135 -2.515 -24.641 -1.070 1.00 0.00 H new HETATM 0 H4 BTI A 135 -1.445 -24.098 -3.229 1.00 0.00 H new HETATM 0 H2 BTI A 135 0.122 -25.814 -2.996 1.00 0.00 H new