USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 849 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 55:sc= 0.243 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.861 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.0258 K(o=-0.026,f=-1.7!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -7! C(o=-7!,f=-9.6!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.253 K(o=-0.25,f=-1.9!) USER MOD Single : A 40 GLN : amide:sc= -0.906 X(o=-0.91,f=-0.84) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= -3.22! C(o=-3.2!,f=-5.5!) USER MOD Single : A 56 SER OG : rot -143:sc= 0.941 USER MOD Single : A 57 HIS : no HD1:sc= -3.73! C(o=-3.7!,f=-3.4!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 167:sc= 0.0738 USER MOD Single : A 63 HIS : no HE2:sc= -1.88! C(o=-1.9!,f=-5.8!) USER MOD Single : A 64 GLN : amide:sc= -0.0302 X(o=-0.03,f=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.331 K(o=-0.33,f=-1.8!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.755 K(o=-0.76,f=-5.4!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0298) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.657 8.139 -17.431 1.00 0.00 N ATOM 2 CA GLY A 1 16.669 8.701 -18.337 1.00 0.00 C ATOM 3 C GLY A 1 16.663 10.229 -18.261 1.00 0.00 C ATOM 4 O GLY A 1 16.472 10.800 -17.188 1.00 0.00 O ATOM 0 H1 GLY A 1 17.642 7.101 -17.501 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.602 8.489 -17.687 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.435 8.423 -16.456 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.885 8.385 -19.358 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.680 8.317 -18.086 1.00 0.00 H new ATOM 8 N SER A 2 16.873 10.848 -19.414 1.00 0.00 N ATOM 9 CA SER A 2 16.894 12.299 -19.492 1.00 0.00 C ATOM 10 C SER A 2 15.466 12.838 -19.594 1.00 0.00 C ATOM 11 O SER A 2 14.900 12.902 -20.685 1.00 0.00 O ATOM 12 CB SER A 2 17.728 12.774 -20.683 1.00 0.00 C ATOM 13 OG SER A 2 18.357 14.027 -20.428 1.00 0.00 O ATOM 0 H SER A 2 17.030 10.371 -20.302 1.00 0.00 H new ATOM 0 HA SER A 2 17.356 12.684 -18.583 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.488 12.027 -20.914 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.089 12.861 -21.562 1.00 0.00 H new ATOM 0 HG SER A 2 18.881 14.295 -21.211 1.00 0.00 H new ATOM 19 N SER A 3 14.924 13.211 -18.445 1.00 0.00 N ATOM 20 CA SER A 3 13.573 13.743 -18.392 1.00 0.00 C ATOM 21 C SER A 3 12.567 12.655 -18.774 1.00 0.00 C ATOM 22 O SER A 3 12.456 12.290 -19.943 1.00 0.00 O ATOM 23 CB SER A 3 13.421 14.954 -19.314 1.00 0.00 C ATOM 24 OG SER A 3 13.356 16.176 -18.584 1.00 0.00 O ATOM 0 H SER A 3 15.396 13.155 -17.542 1.00 0.00 H new ATOM 0 HA SER A 3 13.374 14.071 -17.372 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.262 14.990 -20.007 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.518 14.842 -19.914 1.00 0.00 H new ATOM 0 HG SER A 3 13.261 16.925 -19.208 1.00 0.00 H new ATOM 30 N GLY A 4 11.860 12.167 -17.765 1.00 0.00 N ATOM 31 CA GLY A 4 10.868 11.128 -17.981 1.00 0.00 C ATOM 32 C GLY A 4 10.882 10.109 -16.839 1.00 0.00 C ATOM 33 O GLY A 4 11.932 9.563 -16.503 1.00 0.00 O ATOM 0 H GLY A 4 11.955 12.472 -16.796 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.878 11.577 -18.060 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.066 10.623 -18.926 1.00 0.00 H new ATOM 37 N SER A 5 9.705 9.885 -16.274 1.00 0.00 N ATOM 38 CA SER A 5 9.570 8.942 -15.177 1.00 0.00 C ATOM 39 C SER A 5 8.855 7.678 -15.659 1.00 0.00 C ATOM 40 O SER A 5 7.659 7.708 -15.946 1.00 0.00 O ATOM 41 CB SER A 5 8.811 9.567 -14.004 1.00 0.00 C ATOM 42 OG SER A 5 9.689 10.190 -13.071 1.00 0.00 O ATOM 0 H SER A 5 8.836 10.340 -16.555 1.00 0.00 H new ATOM 0 HA SER A 5 10.568 8.677 -14.829 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.102 10.304 -14.382 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.230 8.797 -13.497 1.00 0.00 H new ATOM 0 HG SER A 5 9.166 10.578 -12.339 1.00 0.00 H new ATOM 48 N SER A 6 9.618 6.597 -15.732 1.00 0.00 N ATOM 49 CA SER A 6 9.072 5.325 -16.174 1.00 0.00 C ATOM 50 C SER A 6 10.138 4.233 -16.067 1.00 0.00 C ATOM 51 O SER A 6 11.139 4.265 -16.782 1.00 0.00 O ATOM 52 CB SER A 6 8.550 5.418 -17.609 1.00 0.00 C ATOM 53 OG SER A 6 7.126 5.424 -17.660 1.00 0.00 O ATOM 0 H SER A 6 10.609 6.576 -15.493 1.00 0.00 H new ATOM 0 HA SER A 6 8.233 5.070 -15.527 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.933 6.325 -18.076 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.930 4.576 -18.188 1.00 0.00 H new ATOM 0 HG SER A 6 6.781 6.147 -17.095 1.00 0.00 H new ATOM 59 N GLY A 7 9.887 3.291 -15.170 1.00 0.00 N ATOM 60 CA GLY A 7 10.813 2.191 -14.960 1.00 0.00 C ATOM 61 C GLY A 7 10.749 1.688 -13.517 1.00 0.00 C ATOM 62 O GLY A 7 9.690 1.714 -12.893 1.00 0.00 O ATOM 0 H GLY A 7 9.055 3.267 -14.580 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.576 1.376 -15.644 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.827 2.516 -15.191 1.00 0.00 H new ATOM 66 N LYS A 8 11.897 1.241 -13.028 1.00 0.00 N ATOM 67 CA LYS A 8 11.985 0.732 -11.670 1.00 0.00 C ATOM 68 C LYS A 8 11.425 1.776 -10.702 1.00 0.00 C ATOM 69 O LYS A 8 11.923 2.900 -10.639 1.00 0.00 O ATOM 70 CB LYS A 8 13.418 0.303 -11.350 1.00 0.00 C ATOM 71 CG LYS A 8 13.435 -0.817 -10.308 1.00 0.00 C ATOM 72 CD LYS A 8 14.867 -1.270 -10.013 1.00 0.00 C ATOM 73 CE LYS A 8 14.924 -2.777 -9.758 1.00 0.00 C ATOM 74 NZ LYS A 8 15.574 -3.059 -8.459 1.00 0.00 N ATOM 0 H LYS A 8 12.774 1.221 -13.548 1.00 0.00 H new ATOM 0 HA LYS A 8 11.376 -0.165 -11.559 1.00 0.00 H new ATOM 0 HB2 LYS A 8 13.912 -0.035 -12.261 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.983 1.158 -10.979 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.963 -0.471 -9.389 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.849 -1.663 -10.668 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.513 -1.015 -10.853 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.249 -0.736 -9.143 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.916 -3.191 -9.764 1.00 0.00 H new ATOM 0 HE3 LYS A 8 15.475 -3.267 -10.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.604 -4.087 -8.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.543 -2.681 -8.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.032 -2.608 -7.695 1.00 0.00 H new ATOM 88 N LEU A 9 10.398 1.369 -9.971 1.00 0.00 N ATOM 89 CA LEU A 9 9.765 2.255 -9.009 1.00 0.00 C ATOM 90 C LEU A 9 10.801 2.701 -7.975 1.00 0.00 C ATOM 91 O LEU A 9 11.603 1.894 -7.507 1.00 0.00 O ATOM 92 CB LEU A 9 8.532 1.589 -8.396 1.00 0.00 C ATOM 93 CG LEU A 9 7.395 1.261 -9.367 1.00 0.00 C ATOM 94 CD1 LEU A 9 6.931 -0.187 -9.198 1.00 0.00 C ATOM 95 CD2 LEU A 9 6.241 2.254 -9.215 1.00 0.00 C ATOM 0 H LEU A 9 9.988 0.437 -10.026 1.00 0.00 H new ATOM 0 HA LEU A 9 9.399 3.155 -9.504 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.846 0.665 -7.910 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.140 2.242 -7.616 1.00 0.00 H new ATOM 0 HG LEU A 9 7.774 1.361 -10.384 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.123 -0.394 -9.899 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.764 -0.861 -9.395 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.575 -0.338 -8.179 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.446 1.999 -9.916 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.855 2.210 -8.197 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.599 3.262 -9.424 1.00 0.00 H new ATOM 107 N HIS A 10 10.750 3.984 -7.648 1.00 0.00 N ATOM 108 CA HIS A 10 11.674 4.546 -6.678 1.00 0.00 C ATOM 109 C HIS A 10 10.987 4.650 -5.315 1.00 0.00 C ATOM 110 O HIS A 10 9.763 4.738 -5.238 1.00 0.00 O ATOM 111 CB HIS A 10 12.226 5.887 -7.167 1.00 0.00 C ATOM 112 CG HIS A 10 12.940 5.810 -8.496 1.00 0.00 C ATOM 113 ND1 HIS A 10 12.650 6.655 -9.552 1.00 0.00 N ATOM 114 CD2 HIS A 10 13.933 4.980 -8.927 1.00 0.00 C ATOM 115 CE1 HIS A 10 13.439 6.339 -10.569 1.00 0.00 C ATOM 116 NE2 HIS A 10 14.233 5.301 -10.179 1.00 0.00 N ATOM 0 H HIS A 10 10.083 4.650 -8.038 1.00 0.00 H new ATOM 0 HA HIS A 10 12.533 3.885 -6.564 1.00 0.00 H new ATOM 0 HB2 HIS A 10 11.404 6.598 -7.248 1.00 0.00 H new ATOM 0 HB3 HIS A 10 12.914 6.279 -6.419 1.00 0.00 H new ATOM 0 HD2 HIS A 10 14.396 4.195 -8.348 1.00 0.00 H new ATOM 0 HE1 HIS A 10 13.451 6.819 -11.536 1.00 0.00 H new ATOM 0 HE2 HIS A 10 14.941 4.846 -10.755 1.00 0.00 H new ATOM 124 N TYR A 11 11.805 4.635 -4.273 1.00 0.00 N ATOM 125 CA TYR A 11 11.292 4.726 -2.917 1.00 0.00 C ATOM 126 C TYR A 11 10.446 5.987 -2.735 1.00 0.00 C ATOM 127 O TYR A 11 10.326 6.797 -3.653 1.00 0.00 O ATOM 128 CB TYR A 11 12.518 4.813 -2.007 1.00 0.00 C ATOM 129 CG TYR A 11 13.383 3.550 -2.005 1.00 0.00 C ATOM 130 CD1 TYR A 11 12.787 2.306 -2.046 1.00 0.00 C ATOM 131 CD2 TYR A 11 14.758 3.656 -1.962 1.00 0.00 C ATOM 132 CE1 TYR A 11 13.600 1.118 -2.044 1.00 0.00 C ATOM 133 CE2 TYR A 11 15.571 2.467 -1.960 1.00 0.00 C ATOM 134 CZ TYR A 11 14.952 1.257 -2.001 1.00 0.00 C ATOM 135 OH TYR A 11 15.720 0.135 -1.999 1.00 0.00 O ATOM 0 H TYR A 11 12.820 4.561 -4.341 1.00 0.00 H new ATOM 0 HA TYR A 11 10.661 3.867 -2.687 1.00 0.00 H new ATOM 0 HB2 TYR A 11 13.130 5.659 -2.319 1.00 0.00 H new ATOM 0 HB3 TYR A 11 12.188 5.016 -0.988 1.00 0.00 H new ATOM 0 HD1 TYR A 11 11.711 2.224 -2.080 1.00 0.00 H new ATOM 0 HD2 TYR A 11 15.224 4.630 -1.930 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.146 0.138 -2.076 1.00 0.00 H new ATOM 0 HE2 TYR A 11 16.648 2.535 -1.927 1.00 0.00 H new ATOM 0 HH TYR A 11 16.667 0.387 -1.967 1.00 0.00 H new ATOM 145 N LYS A 12 9.880 6.115 -1.543 1.00 0.00 N ATOM 146 CA LYS A 12 9.049 7.264 -1.229 1.00 0.00 C ATOM 147 C LYS A 12 8.175 7.603 -2.438 1.00 0.00 C ATOM 148 O LYS A 12 8.347 8.651 -3.059 1.00 0.00 O ATOM 149 CB LYS A 12 9.910 8.433 -0.746 1.00 0.00 C ATOM 150 CG LYS A 12 10.820 8.003 0.407 1.00 0.00 C ATOM 151 CD LYS A 12 10.156 8.270 1.759 1.00 0.00 C ATOM 152 CE LYS A 12 8.855 7.477 1.896 1.00 0.00 C ATOM 153 NZ LYS A 12 8.481 7.339 3.322 1.00 0.00 N ATOM 0 H LYS A 12 9.981 5.441 -0.784 1.00 0.00 H new ATOM 0 HA LYS A 12 8.376 7.032 -0.404 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.515 8.809 -1.571 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.268 9.252 -0.422 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.052 6.942 0.315 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.765 8.542 0.349 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.839 7.998 2.564 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.950 9.335 1.863 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.056 7.980 1.351 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.974 6.491 1.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.596 6.798 3.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.237 6.839 3.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.347 8.282 3.739 1.00 0.00 H new ATOM 167 N GLN A 13 7.257 6.696 -2.737 1.00 0.00 N ATOM 168 CA GLN A 13 6.356 6.885 -3.862 1.00 0.00 C ATOM 169 C GLN A 13 5.038 6.147 -3.617 1.00 0.00 C ATOM 170 O GLN A 13 5.032 4.937 -3.396 1.00 0.00 O ATOM 171 CB GLN A 13 7.006 6.426 -5.168 1.00 0.00 C ATOM 172 CG GLN A 13 6.006 6.473 -6.325 1.00 0.00 C ATOM 173 CD GLN A 13 6.725 6.424 -7.675 1.00 0.00 C ATOM 174 OE1 GLN A 13 7.941 6.477 -7.762 1.00 0.00 O ATOM 175 NE2 GLN A 13 5.908 6.319 -8.719 1.00 0.00 N ATOM 0 H GLN A 13 7.117 5.828 -2.220 1.00 0.00 H new ATOM 0 HA GLN A 13 6.142 7.950 -3.955 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.861 7.062 -5.396 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.386 5.411 -5.052 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.315 5.634 -6.247 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.411 7.384 -6.259 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.899 6.280 -8.575 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.290 6.278 -9.664 1.00 0.00 H new ATOM 184 N ILE A 14 3.954 6.907 -3.664 1.00 0.00 N ATOM 185 CA ILE A 14 2.633 6.340 -3.450 1.00 0.00 C ATOM 186 C ILE A 14 2.203 5.574 -4.702 1.00 0.00 C ATOM 187 O ILE A 14 2.247 6.110 -5.808 1.00 0.00 O ATOM 188 CB ILE A 14 1.646 7.428 -3.024 1.00 0.00 C ATOM 189 CG1 ILE A 14 2.228 8.289 -1.901 1.00 0.00 C ATOM 190 CG2 ILE A 14 0.294 6.823 -2.641 1.00 0.00 C ATOM 191 CD1 ILE A 14 1.880 7.708 -0.529 1.00 0.00 C ATOM 0 H ILE A 14 3.963 7.910 -3.847 1.00 0.00 H new ATOM 0 HA ILE A 14 2.654 5.623 -2.629 1.00 0.00 H new ATOM 0 HB ILE A 14 1.475 8.085 -3.877 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.311 8.351 -2.010 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.841 9.305 -1.979 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.389 7.618 -2.342 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -0.122 6.290 -3.496 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.428 6.129 -1.811 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.305 8.339 0.252 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.797 7.670 -0.414 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.290 6.701 -0.446 1.00 0.00 H new ATOM 203 N VAL A 15 1.796 4.332 -4.486 1.00 0.00 N ATOM 204 CA VAL A 15 1.357 3.487 -5.584 1.00 0.00 C ATOM 205 C VAL A 15 0.259 2.543 -5.088 1.00 0.00 C ATOM 206 O VAL A 15 0.062 2.394 -3.883 1.00 0.00 O ATOM 207 CB VAL A 15 2.554 2.747 -6.185 1.00 0.00 C ATOM 208 CG1 VAL A 15 3.330 3.651 -7.145 1.00 0.00 C ATOM 209 CG2 VAL A 15 3.468 2.199 -5.088 1.00 0.00 C ATOM 0 H VAL A 15 1.761 3.890 -3.567 1.00 0.00 H new ATOM 0 HA VAL A 15 0.930 4.091 -6.384 1.00 0.00 H new ATOM 0 HB VAL A 15 2.173 1.900 -6.756 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.176 3.102 -7.559 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.674 3.970 -7.955 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.694 4.526 -6.607 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.310 1.678 -5.543 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.838 3.023 -4.477 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.908 1.505 -4.461 1.00 0.00 H new ATOM 219 N TRP A 16 -0.426 1.931 -6.043 1.00 0.00 N ATOM 220 CA TRP A 16 -1.499 1.007 -5.719 1.00 0.00 C ATOM 221 C TRP A 16 -0.905 -0.402 -5.651 1.00 0.00 C ATOM 222 O TRP A 16 0.169 -0.653 -6.196 1.00 0.00 O ATOM 223 CB TRP A 16 -2.646 1.124 -6.724 1.00 0.00 C ATOM 224 CG TRP A 16 -3.476 2.401 -6.575 1.00 0.00 C ATOM 225 CD1 TRP A 16 -3.286 3.583 -7.178 1.00 0.00 C ATOM 226 CD2 TRP A 16 -4.641 2.578 -5.743 1.00 0.00 C ATOM 227 NE1 TRP A 16 -4.239 4.504 -6.796 1.00 0.00 N ATOM 228 CE2 TRP A 16 -5.090 3.873 -5.896 1.00 0.00 C ATOM 229 CE3 TRP A 16 -5.295 1.672 -4.889 1.00 0.00 C ATOM 230 CZ2 TRP A 16 -6.210 4.381 -5.226 1.00 0.00 C ATOM 231 CZ3 TRP A 16 -6.412 2.195 -4.227 1.00 0.00 C ATOM 232 CH2 TRP A 16 -6.877 3.497 -4.370 1.00 0.00 C ATOM 0 H TRP A 16 -0.259 2.057 -7.041 1.00 0.00 H new ATOM 0 HA TRP A 16 -1.936 1.248 -4.750 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.236 1.085 -7.733 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -3.303 0.261 -6.613 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -2.487 3.788 -7.875 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -4.307 5.470 -7.115 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -4.962 0.653 -4.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -6.541 5.400 -5.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -6.951 1.540 -3.558 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.749 3.825 -3.823 1.00 0.00 H new ATOM 243 N VAL A 17 -1.629 -1.283 -4.977 1.00 0.00 N ATOM 244 CA VAL A 17 -1.187 -2.660 -4.832 1.00 0.00 C ATOM 245 C VAL A 17 -2.256 -3.597 -5.399 1.00 0.00 C ATOM 246 O VAL A 17 -3.447 -3.299 -5.332 1.00 0.00 O ATOM 247 CB VAL A 17 -0.855 -2.950 -3.367 1.00 0.00 C ATOM 248 CG1 VAL A 17 -2.129 -3.068 -2.528 1.00 0.00 C ATOM 249 CG2 VAL A 17 0.004 -4.210 -3.239 1.00 0.00 C ATOM 0 H VAL A 17 -2.518 -1.071 -4.525 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.272 -2.830 -5.400 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.278 -2.109 -2.982 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.864 -3.274 -1.491 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.687 -2.133 -2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.745 -3.881 -2.914 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.226 -4.394 -2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.537 -5.062 -3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.936 -4.073 -3.788 1.00 0.00 H new ATOM 259 N LYS A 18 -1.790 -4.710 -5.946 1.00 0.00 N ATOM 260 CA LYS A 18 -2.691 -5.693 -6.525 1.00 0.00 C ATOM 261 C LYS A 18 -2.845 -6.869 -5.558 1.00 0.00 C ATOM 262 O LYS A 18 -1.864 -7.525 -5.211 1.00 0.00 O ATOM 263 CB LYS A 18 -2.213 -6.102 -7.919 1.00 0.00 C ATOM 264 CG LYS A 18 -3.384 -6.173 -8.901 1.00 0.00 C ATOM 265 CD LYS A 18 -2.974 -6.885 -10.192 1.00 0.00 C ATOM 266 CE LYS A 18 -4.189 -7.140 -11.087 1.00 0.00 C ATOM 267 NZ LYS A 18 -3.907 -8.235 -12.042 1.00 0.00 N ATOM 0 H LYS A 18 -0.801 -4.953 -6.001 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.683 -5.264 -6.667 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.475 -5.385 -8.279 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.718 -7.072 -7.868 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.219 -6.701 -8.440 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.732 -5.166 -9.131 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.243 -6.280 -10.729 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.490 -7.831 -9.952 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.053 -7.397 -10.474 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.444 -6.231 -11.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.741 -8.396 -12.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.096 -7.975 -12.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.685 -9.105 -11.517 1.00 0.00 H new ATOM 281 N LEU A 19 -4.085 -7.100 -5.151 1.00 0.00 N ATOM 282 CA LEU A 19 -4.380 -8.185 -4.231 1.00 0.00 C ATOM 283 C LEU A 19 -5.034 -9.335 -5.000 1.00 0.00 C ATOM 284 O LEU A 19 -4.476 -10.428 -5.083 1.00 0.00 O ATOM 285 CB LEU A 19 -5.217 -7.678 -3.055 1.00 0.00 C ATOM 286 CG LEU A 19 -4.775 -6.347 -2.442 1.00 0.00 C ATOM 287 CD1 LEU A 19 -5.371 -6.162 -1.046 1.00 0.00 C ATOM 288 CD2 LEU A 19 -3.250 -6.226 -2.436 1.00 0.00 C ATOM 0 H LEU A 19 -4.896 -6.554 -5.442 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.461 -8.574 -3.794 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.250 -7.577 -3.387 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.206 -8.437 -2.273 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.159 -5.539 -3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.041 -5.209 -0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.459 -6.173 -1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.038 -6.973 -0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.962 -5.271 -1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.823 -7.040 -1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.877 -6.281 -3.459 1.00 0.00 H new ATOM 300 N GLY A 20 -6.209 -9.050 -5.543 1.00 0.00 N ATOM 301 CA GLY A 20 -6.944 -10.047 -6.302 1.00 0.00 C ATOM 302 C GLY A 20 -7.949 -9.385 -7.248 1.00 0.00 C ATOM 303 O GLY A 20 -7.971 -8.162 -7.379 1.00 0.00 O ATOM 0 H GLY A 20 -6.670 -8.143 -5.472 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.248 -10.659 -6.876 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.468 -10.716 -5.619 1.00 0.00 H new ATOM 307 N ASN A 21 -8.756 -10.222 -7.882 1.00 0.00 N ATOM 308 CA ASN A 21 -9.761 -9.733 -8.811 1.00 0.00 C ATOM 309 C ASN A 21 -10.506 -8.556 -8.178 1.00 0.00 C ATOM 310 O ASN A 21 -11.070 -8.686 -7.093 1.00 0.00 O ATOM 311 CB ASN A 21 -10.786 -10.821 -9.137 1.00 0.00 C ATOM 312 CG ASN A 21 -10.464 -11.496 -10.472 1.00 0.00 C ATOM 313 OD1 ASN A 21 -9.888 -12.570 -10.530 1.00 0.00 O ATOM 314 ND2 ASN A 21 -10.866 -10.809 -11.537 1.00 0.00 N ATOM 0 H ASN A 21 -8.735 -11.236 -7.771 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.254 -9.429 -9.727 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.796 -11.566 -8.342 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.784 -10.385 -9.177 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.697 -11.176 -12.474 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.343 -9.915 -11.417 1.00 0.00 H new ATOM 321 N TYR A 22 -10.484 -7.435 -8.883 1.00 0.00 N ATOM 322 CA TYR A 22 -11.150 -6.236 -8.404 1.00 0.00 C ATOM 323 C TYR A 22 -10.884 -6.020 -6.912 1.00 0.00 C ATOM 324 O TYR A 22 -11.772 -6.219 -6.085 1.00 0.00 O ATOM 325 CB TYR A 22 -12.647 -6.472 -8.614 1.00 0.00 C ATOM 326 CG TYR A 22 -13.203 -5.842 -9.892 1.00 0.00 C ATOM 327 CD1 TYR A 22 -13.205 -4.470 -10.040 1.00 0.00 C ATOM 328 CD2 TYR A 22 -13.703 -6.645 -10.897 1.00 0.00 C ATOM 329 CE1 TYR A 22 -13.728 -3.876 -11.243 1.00 0.00 C ATOM 330 CE2 TYR A 22 -14.226 -6.051 -12.100 1.00 0.00 C ATOM 331 CZ TYR A 22 -14.213 -4.696 -12.214 1.00 0.00 C ATOM 332 OH TYR A 22 -14.708 -4.136 -13.350 1.00 0.00 O ATOM 0 H TYR A 22 -10.015 -7.332 -9.783 1.00 0.00 H new ATOM 0 HA TYR A 22 -10.787 -5.357 -8.936 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -12.835 -7.545 -8.639 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -13.191 -6.073 -7.758 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -12.814 -3.842 -9.253 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -13.702 -7.719 -10.781 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -13.735 -2.804 -11.371 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -14.620 -6.668 -12.894 1.00 0.00 H new ATOM 0 HH TYR A 22 -15.018 -4.842 -13.955 1.00 0.00 H new ATOM 342 N ARG A 23 -9.658 -5.616 -6.615 1.00 0.00 N ATOM 343 CA ARG A 23 -9.264 -5.371 -5.238 1.00 0.00 C ATOM 344 C ARG A 23 -7.900 -4.680 -5.190 1.00 0.00 C ATOM 345 O ARG A 23 -6.871 -5.339 -5.055 1.00 0.00 O ATOM 346 CB ARG A 23 -9.194 -6.678 -4.444 1.00 0.00 C ATOM 347 CG ARG A 23 -10.010 -6.580 -3.154 1.00 0.00 C ATOM 348 CD ARG A 23 -9.649 -7.713 -2.190 1.00 0.00 C ATOM 349 NE ARG A 23 -10.427 -7.579 -0.938 1.00 0.00 N ATOM 350 CZ ARG A 23 -11.666 -8.061 -0.768 1.00 0.00 C ATOM 351 NH1 ARG A 23 -12.275 -8.711 -1.769 1.00 0.00 N ATOM 352 NH2 ARG A 23 -12.295 -7.892 0.403 1.00 0.00 N ATOM 0 H ARG A 23 -8.924 -5.452 -7.304 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.018 -4.725 -4.788 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.570 -7.499 -5.055 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.156 -6.907 -4.205 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.826 -5.618 -2.675 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.074 -6.622 -3.388 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.856 -8.677 -2.655 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.582 -7.688 -1.969 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.993 -7.089 -0.156 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.796 -8.839 -2.660 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.218 -9.078 -1.640 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.831 -7.397 1.164 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.238 -8.259 0.533 1.00 0.00 H new ATOM 366 N TRP A 24 -7.937 -3.360 -5.305 1.00 0.00 N ATOM 367 CA TRP A 24 -6.717 -2.573 -5.277 1.00 0.00 C ATOM 368 C TRP A 24 -6.644 -1.861 -3.924 1.00 0.00 C ATOM 369 O TRP A 24 -7.659 -1.392 -3.410 1.00 0.00 O ATOM 370 CB TRP A 24 -6.659 -1.608 -6.463 1.00 0.00 C ATOM 371 CG TRP A 24 -6.574 -2.302 -7.825 1.00 0.00 C ATOM 372 CD1 TRP A 24 -7.575 -2.817 -8.552 1.00 0.00 C ATOM 373 CD2 TRP A 24 -5.378 -2.535 -8.597 1.00 0.00 C ATOM 374 NE1 TRP A 24 -7.113 -3.364 -9.732 1.00 0.00 N ATOM 375 CE2 TRP A 24 -5.735 -3.187 -9.760 1.00 0.00 C ATOM 376 CE3 TRP A 24 -4.039 -2.206 -8.323 1.00 0.00 C ATOM 377 CZ2 TRP A 24 -4.810 -3.566 -10.741 1.00 0.00 C ATOM 378 CZ3 TRP A 24 -3.127 -2.592 -9.313 1.00 0.00 C ATOM 379 CH2 TRP A 24 -3.470 -3.249 -10.489 1.00 0.00 C ATOM 0 H TRP A 24 -8.793 -2.817 -5.418 1.00 0.00 H new ATOM 0 HA TRP A 24 -5.842 -3.215 -5.381 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -7.544 -0.972 -6.445 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -5.795 -0.954 -6.345 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -8.613 -2.805 -8.252 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -7.679 -3.815 -10.451 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.737 -1.696 -7.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -5.114 -4.075 -11.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.084 -2.363 -9.152 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -2.706 -3.514 -11.205 1.00 0.00 H new ATOM 390 N TRP A 25 -5.435 -1.802 -3.386 1.00 0.00 N ATOM 391 CA TRP A 25 -5.217 -1.155 -2.104 1.00 0.00 C ATOM 392 C TRP A 25 -4.048 -0.180 -2.258 1.00 0.00 C ATOM 393 O TRP A 25 -3.082 -0.470 -2.962 1.00 0.00 O ATOM 394 CB TRP A 25 -4.990 -2.190 -1.000 1.00 0.00 C ATOM 395 CG TRP A 25 -5.024 -1.608 0.415 1.00 0.00 C ATOM 396 CD1 TRP A 25 -4.018 -1.048 1.101 1.00 0.00 C ATOM 397 CD2 TRP A 25 -6.167 -1.550 1.294 1.00 0.00 C ATOM 398 NE1 TRP A 25 -4.427 -0.636 2.353 1.00 0.00 N ATOM 399 CE2 TRP A 25 -5.775 -0.951 2.474 1.00 0.00 C ATOM 400 CE3 TRP A 25 -7.488 -1.989 1.098 1.00 0.00 C ATOM 401 CZ2 TRP A 25 -6.645 -0.737 3.550 1.00 0.00 C ATOM 402 CZ3 TRP A 25 -8.345 -1.768 2.183 1.00 0.00 C ATOM 403 CH2 TRP A 25 -7.966 -1.166 3.378 1.00 0.00 C ATOM 0 H TRP A 25 -4.596 -2.192 -3.815 1.00 0.00 H new ATOM 0 HA TRP A 25 -6.101 -0.593 -1.801 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -5.751 -2.966 -1.081 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -4.026 -2.672 -1.161 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -3.013 -0.934 0.722 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -3.847 -0.184 3.059 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -7.816 -2.460 0.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -6.314 -0.266 4.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -9.372 -2.087 2.085 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -8.688 -1.030 4.170 1.00 0.00 H new ATOM 414 N PRO A 26 -4.178 0.987 -1.572 1.00 0.00 N ATOM 415 CA PRO A 26 -3.145 2.006 -1.626 1.00 0.00 C ATOM 416 C PRO A 26 -1.933 1.605 -0.782 1.00 0.00 C ATOM 417 O PRO A 26 -2.085 1.015 0.287 1.00 0.00 O ATOM 418 CB PRO A 26 -3.818 3.276 -1.132 1.00 0.00 C ATOM 419 CG PRO A 26 -5.062 2.824 -0.384 1.00 0.00 C ATOM 420 CD PRO A 26 -5.309 1.365 -0.729 1.00 0.00 C ATOM 0 HA PRO A 26 -2.747 2.147 -2.631 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.153 3.842 -0.479 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.079 3.929 -1.965 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.926 2.944 0.691 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.920 3.434 -0.667 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.357 0.749 0.169 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.255 1.237 -1.255 1.00 0.00 H new ATOM 428 N ALA A 27 -0.758 1.940 -1.294 1.00 0.00 N ATOM 429 CA ALA A 27 0.479 1.622 -0.601 1.00 0.00 C ATOM 430 C ALA A 27 1.582 2.571 -1.073 1.00 0.00 C ATOM 431 O ALA A 27 1.452 3.209 -2.117 1.00 0.00 O ATOM 432 CB ALA A 27 0.833 0.152 -0.837 1.00 0.00 C ATOM 0 H ALA A 27 -0.636 2.429 -2.181 1.00 0.00 H new ATOM 0 HA ALA A 27 0.363 1.761 0.474 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.761 -0.087 -0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.031 -0.481 -0.457 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.960 -0.025 -1.905 1.00 0.00 H new ATOM 438 N GLU A 28 2.643 2.634 -0.282 1.00 0.00 N ATOM 439 CA GLU A 28 3.768 3.494 -0.606 1.00 0.00 C ATOM 440 C GLU A 28 5.077 2.705 -0.537 1.00 0.00 C ATOM 441 O GLU A 28 5.316 1.976 0.424 1.00 0.00 O ATOM 442 CB GLU A 28 3.812 4.711 0.320 1.00 0.00 C ATOM 443 CG GLU A 28 5.205 5.345 0.326 1.00 0.00 C ATOM 444 CD GLU A 28 5.228 6.611 1.185 1.00 0.00 C ATOM 445 OE1 GLU A 28 5.204 6.455 2.425 1.00 0.00 O ATOM 446 OE2 GLU A 28 5.268 7.705 0.583 1.00 0.00 O ATOM 0 H GLU A 28 2.747 2.103 0.583 1.00 0.00 H new ATOM 0 HA GLU A 28 3.640 3.858 -1.625 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.075 5.446 -0.004 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.540 4.412 1.332 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.933 4.629 0.708 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.502 5.588 -0.694 1.00 0.00 H new ATOM 453 N ILE A 29 5.889 2.877 -1.570 1.00 0.00 N ATOM 454 CA ILE A 29 7.168 2.190 -1.638 1.00 0.00 C ATOM 455 C ILE A 29 8.121 2.791 -0.604 1.00 0.00 C ATOM 456 O ILE A 29 8.296 4.007 -0.548 1.00 0.00 O ATOM 457 CB ILE A 29 7.714 2.216 -3.067 1.00 0.00 C ATOM 458 CG1 ILE A 29 6.775 1.484 -4.027 1.00 0.00 C ATOM 459 CG2 ILE A 29 9.138 1.658 -3.120 1.00 0.00 C ATOM 460 CD1 ILE A 29 7.206 1.691 -5.481 1.00 0.00 C ATOM 0 H ILE A 29 5.686 3.482 -2.366 1.00 0.00 H new ATOM 0 HA ILE A 29 7.049 1.136 -1.386 1.00 0.00 H new ATOM 0 HB ILE A 29 7.763 3.254 -3.395 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.769 0.419 -3.794 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.756 1.846 -3.891 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.502 1.688 -4.147 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.789 2.261 -2.486 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.138 0.628 -2.765 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.522 1.160 -6.143 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.188 2.755 -5.718 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.216 1.306 -5.619 1.00 0.00 H new ATOM 472 N CYS A 30 8.714 1.911 0.190 1.00 0.00 N ATOM 473 CA CYS A 30 9.645 2.339 1.219 1.00 0.00 C ATOM 474 C CYS A 30 11.031 1.794 0.870 1.00 0.00 C ATOM 475 O CYS A 30 11.220 1.202 -0.192 1.00 0.00 O ATOM 476 CB CYS A 30 9.192 1.897 2.612 1.00 0.00 C ATOM 477 SG CYS A 30 8.140 3.189 3.368 1.00 0.00 S ATOM 0 H CYS A 30 8.567 0.903 0.141 1.00 0.00 H new ATOM 0 HA CYS A 30 9.681 3.428 1.249 1.00 0.00 H new ATOM 0 HB2 CYS A 30 8.639 0.960 2.543 1.00 0.00 H new ATOM 0 HB3 CYS A 30 10.061 1.709 3.243 1.00 0.00 H new ATOM 0 HG CYS A 30 7.759 2.802 4.549 1.00 0.00 H new ATOM 483 N ASN A 31 11.966 2.013 1.783 1.00 0.00 N ATOM 484 CA ASN A 31 13.329 1.551 1.585 1.00 0.00 C ATOM 485 C ASN A 31 13.587 0.337 2.481 1.00 0.00 C ATOM 486 O ASN A 31 12.917 0.157 3.496 1.00 0.00 O ATOM 487 CB ASN A 31 14.339 2.638 1.960 1.00 0.00 C ATOM 488 CG ASN A 31 14.141 3.889 1.102 1.00 0.00 C ATOM 489 OD1 ASN A 31 13.045 4.405 0.955 1.00 0.00 O ATOM 490 ND2 ASN A 31 15.259 4.346 0.546 1.00 0.00 N ATOM 0 H ASN A 31 11.806 2.505 2.662 1.00 0.00 H new ATOM 0 HA ASN A 31 13.449 1.295 0.532 1.00 0.00 H new ATOM 0 HB2 ASN A 31 14.229 2.894 3.014 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.352 2.259 1.828 1.00 0.00 H new ATOM 0 HD21 ASN A 31 15.232 5.177 -0.045 1.00 0.00 H new ATOM 0 HD22 ASN A 31 16.144 3.866 0.710 1.00 0.00 H new ATOM 497 N PRO A 32 14.585 -0.485 2.061 1.00 0.00 N ATOM 498 CA PRO A 32 14.940 -1.676 2.813 1.00 0.00 C ATOM 499 C PRO A 32 15.723 -1.314 4.077 1.00 0.00 C ATOM 500 O PRO A 32 15.761 -2.088 5.032 1.00 0.00 O ATOM 501 CB PRO A 32 15.740 -2.530 1.843 1.00 0.00 C ATOM 502 CG PRO A 32 16.199 -1.590 0.741 1.00 0.00 C ATOM 503 CD PRO A 32 15.400 -0.303 0.863 1.00 0.00 C ATOM 0 HA PRO A 32 14.068 -2.220 3.176 1.00 0.00 H new ATOM 0 HB2 PRO A 32 16.592 -2.993 2.341 1.00 0.00 H new ATOM 0 HB3 PRO A 32 15.130 -3.337 1.439 1.00 0.00 H new ATOM 0 HG2 PRO A 32 17.266 -1.387 0.832 1.00 0.00 H new ATOM 0 HG3 PRO A 32 16.044 -2.044 -0.238 1.00 0.00 H new ATOM 0 HD2 PRO A 32 16.056 0.563 0.958 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.779 -0.138 -0.017 1.00 0.00 H new ATOM 511 N ARG A 33 16.329 -0.136 4.042 1.00 0.00 N ATOM 512 CA ARG A 33 17.109 0.338 5.172 1.00 0.00 C ATOM 513 C ARG A 33 16.198 1.013 6.200 1.00 0.00 C ATOM 514 O ARG A 33 16.621 1.296 7.319 1.00 0.00 O ATOM 515 CB ARG A 33 18.182 1.332 4.723 1.00 0.00 C ATOM 516 CG ARG A 33 19.172 0.671 3.761 1.00 0.00 C ATOM 517 CD ARG A 33 20.356 0.069 4.522 1.00 0.00 C ATOM 518 NE ARG A 33 21.506 -0.111 3.608 1.00 0.00 N ATOM 519 CZ ARG A 33 22.669 -0.671 3.966 1.00 0.00 C ATOM 520 NH1 ARG A 33 22.844 -1.109 5.220 1.00 0.00 N ATOM 521 NH2 ARG A 33 23.658 -0.793 3.069 1.00 0.00 N ATOM 0 H ARG A 33 16.295 0.504 3.249 1.00 0.00 H new ATOM 0 HA ARG A 33 17.596 -0.526 5.624 1.00 0.00 H new ATOM 0 HB2 ARG A 33 17.711 2.186 4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 33 18.715 1.715 5.593 1.00 0.00 H new ATOM 0 HG2 ARG A 33 18.666 -0.109 3.192 1.00 0.00 H new ATOM 0 HG3 ARG A 33 19.533 1.407 3.042 1.00 0.00 H new ATOM 0 HD2 ARG A 33 20.637 0.721 5.349 1.00 0.00 H new ATOM 0 HD3 ARG A 33 20.071 -0.890 4.955 1.00 0.00 H new ATOM 0 HE ARG A 33 21.407 0.211 2.645 1.00 0.00 H new ATOM 0 HH11 ARG A 33 22.092 -1.016 5.902 1.00 0.00 H new ATOM 0 HH12 ARG A 33 23.730 -1.535 5.492 1.00 0.00 H new ATOM 0 HH21 ARG A 33 23.525 -0.459 2.114 1.00 0.00 H new ATOM 0 HH22 ARG A 33 24.544 -1.219 3.341 1.00 0.00 H new ATOM 535 N SER A 34 14.963 1.251 5.783 1.00 0.00 N ATOM 536 CA SER A 34 13.988 1.887 6.653 1.00 0.00 C ATOM 537 C SER A 34 13.196 0.823 7.416 1.00 0.00 C ATOM 538 O SER A 34 13.093 0.881 8.641 1.00 0.00 O ATOM 539 CB SER A 34 13.040 2.784 5.855 1.00 0.00 C ATOM 540 OG SER A 34 13.003 4.112 6.369 1.00 0.00 O ATOM 0 H SER A 34 14.615 1.015 4.854 1.00 0.00 H new ATOM 0 HA SER A 34 14.523 2.514 7.366 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.355 2.808 4.812 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.036 2.359 5.875 1.00 0.00 H new ATOM 0 HG SER A 34 12.388 4.654 5.832 1.00 0.00 H new ATOM 546 N VAL A 35 12.656 -0.122 6.662 1.00 0.00 N ATOM 547 CA VAL A 35 11.877 -1.197 7.252 1.00 0.00 C ATOM 548 C VAL A 35 12.738 -1.947 8.270 1.00 0.00 C ATOM 549 O VAL A 35 13.966 -1.909 8.197 1.00 0.00 O ATOM 550 CB VAL A 35 11.322 -2.106 6.153 1.00 0.00 C ATOM 551 CG1 VAL A 35 10.510 -1.302 5.135 1.00 0.00 C ATOM 552 CG2 VAL A 35 12.445 -2.885 5.467 1.00 0.00 C ATOM 0 H VAL A 35 12.742 -0.166 5.647 1.00 0.00 H new ATOM 0 HA VAL A 35 11.017 -0.795 7.788 1.00 0.00 H new ATOM 0 HB VAL A 35 10.652 -2.827 6.621 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.127 -1.971 4.365 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.676 -0.814 5.639 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.148 -0.547 4.675 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.023 -3.523 4.690 1.00 0.00 H new ATOM 0 HG22 VAL A 35 13.151 -2.186 5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.962 -3.502 6.202 1.00 0.00 H new ATOM 562 N PRO A 36 12.044 -2.629 9.220 1.00 0.00 N ATOM 563 CA PRO A 36 12.732 -3.387 10.251 1.00 0.00 C ATOM 564 C PRO A 36 13.304 -4.688 9.685 1.00 0.00 C ATOM 565 O PRO A 36 12.722 -5.285 8.781 1.00 0.00 O ATOM 566 CB PRO A 36 11.689 -3.617 11.332 1.00 0.00 C ATOM 567 CG PRO A 36 10.342 -3.388 10.667 1.00 0.00 C ATOM 568 CD PRO A 36 10.590 -2.697 9.337 1.00 0.00 C ATOM 0 HA PRO A 36 13.596 -2.859 10.656 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.759 -4.628 11.734 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.834 -2.931 12.167 1.00 0.00 H new ATOM 0 HG2 PRO A 36 9.826 -4.336 10.514 1.00 0.00 H new ATOM 0 HG3 PRO A 36 9.702 -2.775 11.302 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.152 -3.258 8.511 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.144 -1.702 9.318 1.00 0.00 H new ATOM 576 N LEU A 37 14.438 -5.089 10.240 1.00 0.00 N ATOM 577 CA LEU A 37 15.096 -6.309 9.803 1.00 0.00 C ATOM 578 C LEU A 37 14.044 -7.396 9.573 1.00 0.00 C ATOM 579 O LEU A 37 14.195 -8.234 8.685 1.00 0.00 O ATOM 580 CB LEU A 37 16.190 -6.713 10.792 1.00 0.00 C ATOM 581 CG LEU A 37 17.630 -6.561 10.298 1.00 0.00 C ATOM 582 CD1 LEU A 37 17.886 -7.446 9.076 1.00 0.00 C ATOM 583 CD2 LEU A 37 17.964 -5.094 10.022 1.00 0.00 C ATOM 0 H LEU A 37 14.918 -4.590 10.989 1.00 0.00 H new ATOM 0 HA LEU A 37 15.603 -6.148 8.852 1.00 0.00 H new ATOM 0 HB2 LEU A 37 16.072 -6.117 11.697 1.00 0.00 H new ATOM 0 HB3 LEU A 37 16.031 -7.754 11.073 1.00 0.00 H new ATOM 0 HG LEU A 37 18.299 -6.900 11.089 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.917 -7.319 8.745 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.715 -8.490 9.340 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.208 -7.160 8.271 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.993 -5.015 9.672 1.00 0.00 H new ATOM 0 HD22 LEU A 37 17.290 -4.705 9.259 1.00 0.00 H new ATOM 0 HD23 LEU A 37 17.847 -4.516 10.938 1.00 0.00 H new ATOM 595 N ASN A 38 13.000 -7.347 10.388 1.00 0.00 N ATOM 596 CA ASN A 38 11.924 -8.317 10.285 1.00 0.00 C ATOM 597 C ASN A 38 11.542 -8.494 8.814 1.00 0.00 C ATOM 598 O ASN A 38 11.463 -9.618 8.320 1.00 0.00 O ATOM 599 CB ASN A 38 10.681 -7.844 11.042 1.00 0.00 C ATOM 600 CG ASN A 38 10.469 -8.665 12.315 1.00 0.00 C ATOM 601 OD1 ASN A 38 11.355 -9.353 12.796 1.00 0.00 O ATOM 602 ND2 ASN A 38 9.249 -8.555 12.833 1.00 0.00 N ATOM 0 H ASN A 38 12.877 -6.650 11.123 1.00 0.00 H new ATOM 0 HA ASN A 38 12.274 -9.255 10.716 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.786 -6.790 11.298 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.805 -7.930 10.399 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.008 -9.064 13.683 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.554 -7.962 12.380 1.00 0.00 H new ATOM 609 N ILE A 39 11.315 -7.367 8.155 1.00 0.00 N ATOM 610 CA ILE A 39 10.944 -7.384 6.750 1.00 0.00 C ATOM 611 C ILE A 39 12.153 -7.803 5.912 1.00 0.00 C ATOM 612 O ILE A 39 12.040 -8.665 5.041 1.00 0.00 O ATOM 613 CB ILE A 39 10.348 -6.036 6.338 1.00 0.00 C ATOM 614 CG1 ILE A 39 9.339 -5.542 7.377 1.00 0.00 C ATOM 615 CG2 ILE A 39 9.737 -6.112 4.937 1.00 0.00 C ATOM 616 CD1 ILE A 39 8.347 -6.646 7.747 1.00 0.00 C ATOM 0 H ILE A 39 11.381 -6.437 8.568 1.00 0.00 H new ATOM 0 HA ILE A 39 10.162 -8.122 6.572 1.00 0.00 H new ATOM 0 HB ILE A 39 11.154 -5.304 6.299 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.866 -5.208 8.271 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.799 -4.680 6.984 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.321 -5.141 4.669 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.509 -6.387 4.218 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.946 -6.862 4.925 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.641 -6.268 8.487 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.804 -6.961 6.856 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.887 -7.497 8.162 1.00 0.00 H new ATOM 628 N GLN A 40 13.282 -7.175 6.204 1.00 0.00 N ATOM 629 CA GLN A 40 14.511 -7.472 5.488 1.00 0.00 C ATOM 630 C GLN A 40 14.776 -8.979 5.493 1.00 0.00 C ATOM 631 O GLN A 40 15.470 -9.494 4.617 1.00 0.00 O ATOM 632 CB GLN A 40 15.693 -6.706 6.086 1.00 0.00 C ATOM 633 CG GLN A 40 15.437 -5.198 6.061 1.00 0.00 C ATOM 634 CD GLN A 40 16.656 -4.427 6.573 1.00 0.00 C ATOM 635 OE1 GLN A 40 17.790 -4.699 6.215 1.00 0.00 O ATOM 636 NE2 GLN A 40 16.359 -3.452 7.428 1.00 0.00 N ATOM 0 H GLN A 40 13.372 -6.461 6.927 1.00 0.00 H new ATOM 0 HA GLN A 40 14.395 -7.146 4.454 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.861 -7.033 7.112 1.00 0.00 H new ATOM 0 HB3 GLN A 40 16.600 -6.934 5.526 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.203 -4.882 5.044 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.568 -4.963 6.676 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.387 -3.278 7.685 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.103 -2.879 7.826 1.00 0.00 H new ATOM 645 N GLY A 41 14.209 -9.645 6.489 1.00 0.00 N ATOM 646 CA GLY A 41 14.376 -11.082 6.618 1.00 0.00 C ATOM 647 C GLY A 41 13.635 -11.823 5.504 1.00 0.00 C ATOM 648 O GLY A 41 14.036 -12.915 5.105 1.00 0.00 O ATOM 0 H GLY A 41 13.634 -9.216 7.214 1.00 0.00 H new ATOM 0 HA2 GLY A 41 15.436 -11.333 6.584 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.002 -11.409 7.588 1.00 0.00 H new ATOM 652 N LEU A 42 12.565 -11.199 5.032 1.00 0.00 N ATOM 653 CA LEU A 42 11.764 -11.786 3.971 1.00 0.00 C ATOM 654 C LEU A 42 12.670 -12.143 2.791 1.00 0.00 C ATOM 655 O LEU A 42 13.498 -11.335 2.373 1.00 0.00 O ATOM 656 CB LEU A 42 10.606 -10.857 3.598 1.00 0.00 C ATOM 657 CG LEU A 42 9.693 -10.428 4.749 1.00 0.00 C ATOM 658 CD1 LEU A 42 8.749 -9.307 4.311 1.00 0.00 C ATOM 659 CD2 LEU A 42 8.934 -11.626 5.323 1.00 0.00 C ATOM 0 H LEU A 42 12.234 -10.293 5.365 1.00 0.00 H new ATOM 0 HA LEU A 42 11.303 -12.713 4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 42 11.020 -9.961 3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.997 -11.353 2.843 1.00 0.00 H new ATOM 0 HG LEU A 42 10.316 -10.029 5.549 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.111 -9.021 5.147 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.333 -8.445 3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.129 -9.655 3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.293 -11.293 6.139 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.322 -12.077 4.542 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.645 -12.362 5.697 1.00 0.00 H new ATOM 671 N LYS A 43 12.482 -13.354 2.287 1.00 0.00 N ATOM 672 CA LYS A 43 13.273 -13.827 1.164 1.00 0.00 C ATOM 673 C LYS A 43 12.634 -13.349 -0.141 1.00 0.00 C ATOM 674 O LYS A 43 11.413 -13.383 -0.288 1.00 0.00 O ATOM 675 CB LYS A 43 13.456 -15.344 1.240 1.00 0.00 C ATOM 676 CG LYS A 43 12.143 -16.071 0.939 1.00 0.00 C ATOM 677 CD LYS A 43 11.887 -17.185 1.956 1.00 0.00 C ATOM 678 CE LYS A 43 11.564 -16.605 3.334 1.00 0.00 C ATOM 679 NZ LYS A 43 11.150 -17.679 4.264 1.00 0.00 N ATOM 0 H LYS A 43 11.794 -14.021 2.636 1.00 0.00 H new ATOM 0 HA LYS A 43 14.278 -13.406 1.200 1.00 0.00 H new ATOM 0 HB2 LYS A 43 14.221 -15.658 0.529 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.810 -15.622 2.233 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.317 -15.360 0.958 1.00 0.00 H new ATOM 0 HG3 LYS A 43 12.178 -16.492 -0.066 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.060 -17.809 1.617 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.764 -17.828 2.025 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.438 -16.088 3.732 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.768 -15.865 3.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.934 -17.268 5.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.304 -18.154 3.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.921 -18.370 4.361 1.00 0.00 H new ATOM 693 N HIS A 44 13.487 -12.915 -1.057 1.00 0.00 N ATOM 694 CA HIS A 44 13.021 -12.430 -2.345 1.00 0.00 C ATOM 695 C HIS A 44 14.186 -12.407 -3.336 1.00 0.00 C ATOM 696 O HIS A 44 15.301 -12.803 -3.000 1.00 0.00 O ATOM 697 CB HIS A 44 12.339 -11.069 -2.199 1.00 0.00 C ATOM 698 CG HIS A 44 13.266 -9.962 -1.754 1.00 0.00 C ATOM 699 ND1 HIS A 44 13.858 -9.939 -0.503 1.00 0.00 N ATOM 700 CD2 HIS A 44 13.695 -8.843 -2.405 1.00 0.00 C ATOM 701 CE1 HIS A 44 14.608 -8.850 -0.416 1.00 0.00 C ATOM 702 NE2 HIS A 44 14.505 -8.172 -1.596 1.00 0.00 N ATOM 0 H HIS A 44 14.499 -12.889 -0.933 1.00 0.00 H new ATOM 0 HA HIS A 44 12.265 -13.108 -2.742 1.00 0.00 H new ATOM 0 HB2 HIS A 44 11.893 -10.793 -3.155 1.00 0.00 H new ATOM 0 HB3 HIS A 44 11.524 -11.158 -1.480 1.00 0.00 H new ATOM 0 HD1 HIS A 44 13.737 -10.641 0.227 1.00 0.00 H new ATOM 0 HD2 HIS A 44 13.422 -8.552 -3.409 1.00 0.00 H new ATOM 0 HE1 HIS A 44 15.197 -8.551 0.438 1.00 0.00 H new ATOM 710 N ASP A 45 13.888 -11.938 -4.539 1.00 0.00 N ATOM 711 CA ASP A 45 14.897 -11.857 -5.582 1.00 0.00 C ATOM 712 C ASP A 45 15.221 -10.388 -5.859 1.00 0.00 C ATOM 713 O ASP A 45 14.556 -9.493 -5.340 1.00 0.00 O ATOM 714 CB ASP A 45 14.394 -12.484 -6.884 1.00 0.00 C ATOM 715 CG ASP A 45 15.135 -13.750 -7.320 1.00 0.00 C ATOM 716 OD1 ASP A 45 16.247 -13.967 -6.793 1.00 0.00 O ATOM 717 OD2 ASP A 45 14.572 -14.472 -8.171 1.00 0.00 O ATOM 0 H ASP A 45 12.962 -11.610 -4.815 1.00 0.00 H new ATOM 0 HA ASP A 45 15.780 -12.396 -5.240 1.00 0.00 H new ATOM 0 HB2 ASP A 45 13.336 -12.721 -6.771 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.471 -11.743 -7.680 1.00 0.00 H new ATOM 722 N LEU A 46 16.243 -10.185 -6.677 1.00 0.00 N ATOM 723 CA LEU A 46 16.664 -8.839 -7.030 1.00 0.00 C ATOM 724 C LEU A 46 15.645 -8.227 -7.993 1.00 0.00 C ATOM 725 O LEU A 46 15.782 -8.352 -9.209 1.00 0.00 O ATOM 726 CB LEU A 46 18.094 -8.850 -7.573 1.00 0.00 C ATOM 727 CG LEU A 46 19.049 -7.819 -6.968 1.00 0.00 C ATOM 728 CD1 LEU A 46 20.198 -8.505 -6.226 1.00 0.00 C ATOM 729 CD2 LEU A 46 19.555 -6.847 -8.036 1.00 0.00 C ATOM 0 H LEU A 46 16.792 -10.930 -7.106 1.00 0.00 H new ATOM 0 HA LEU A 46 16.689 -8.203 -6.145 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.514 -9.843 -7.414 1.00 0.00 H new ATOM 0 HB3 LEU A 46 18.054 -8.690 -8.650 1.00 0.00 H new ATOM 0 HG LEU A 46 18.497 -7.232 -6.234 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.862 -7.750 -5.806 1.00 0.00 H new ATOM 0 HD12 LEU A 46 19.795 -9.122 -5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 46 20.756 -9.133 -6.921 1.00 0.00 H new ATOM 0 HD21 LEU A 46 20.232 -6.125 -7.579 1.00 0.00 H new ATOM 0 HD22 LEU A 46 20.085 -7.401 -8.811 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.709 -6.322 -8.480 1.00 0.00 H new ATOM 741 N GLY A 47 14.646 -7.579 -7.414 1.00 0.00 N ATOM 742 CA GLY A 47 13.604 -6.947 -8.206 1.00 0.00 C ATOM 743 C GLY A 47 12.580 -6.249 -7.308 1.00 0.00 C ATOM 744 O GLY A 47 12.579 -5.024 -7.198 1.00 0.00 O ATOM 0 H GLY A 47 14.535 -7.478 -6.405 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.049 -6.222 -8.887 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.104 -7.696 -8.820 1.00 0.00 H new ATOM 748 N ASP A 48 11.734 -7.059 -6.690 1.00 0.00 N ATOM 749 CA ASP A 48 10.707 -6.535 -5.806 1.00 0.00 C ATOM 750 C ASP A 48 11.329 -5.500 -4.866 1.00 0.00 C ATOM 751 O ASP A 48 12.551 -5.391 -4.779 1.00 0.00 O ATOM 752 CB ASP A 48 10.098 -7.647 -4.948 1.00 0.00 C ATOM 753 CG ASP A 48 9.850 -8.966 -5.682 1.00 0.00 C ATOM 754 OD1 ASP A 48 9.754 -8.915 -6.927 1.00 0.00 O ATOM 755 OD2 ASP A 48 9.763 -9.997 -4.980 1.00 0.00 O ATOM 0 H ASP A 48 11.738 -8.075 -6.784 1.00 0.00 H new ATOM 0 HA ASP A 48 9.928 -6.088 -6.423 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.760 -7.837 -4.103 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.152 -7.293 -4.538 1.00 0.00 H new ATOM 760 N PHE A 49 10.459 -4.767 -4.187 1.00 0.00 N ATOM 761 CA PHE A 49 10.908 -3.744 -3.257 1.00 0.00 C ATOM 762 C PHE A 49 10.007 -3.694 -2.021 1.00 0.00 C ATOM 763 O PHE A 49 8.880 -4.186 -2.049 1.00 0.00 O ATOM 764 CB PHE A 49 10.823 -2.404 -3.990 1.00 0.00 C ATOM 765 CG PHE A 49 9.639 -2.296 -4.953 1.00 0.00 C ATOM 766 CD1 PHE A 49 9.715 -2.856 -6.190 1.00 0.00 C ATOM 767 CD2 PHE A 49 8.510 -1.640 -4.572 1.00 0.00 C ATOM 768 CE1 PHE A 49 8.617 -2.755 -7.084 1.00 0.00 C ATOM 769 CE2 PHE A 49 7.412 -1.539 -5.466 1.00 0.00 C ATOM 770 CZ PHE A 49 7.488 -2.099 -6.703 1.00 0.00 C ATOM 0 H PHE A 49 9.446 -4.861 -4.262 1.00 0.00 H new ATOM 0 HA PHE A 49 11.923 -3.962 -2.925 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.754 -1.603 -3.254 1.00 0.00 H new ATOM 0 HB3 PHE A 49 11.747 -2.247 -4.547 1.00 0.00 H new ATOM 0 HD1 PHE A 49 10.611 -3.378 -6.492 1.00 0.00 H new ATOM 0 HD2 PHE A 49 8.449 -1.196 -3.589 1.00 0.00 H new ATOM 0 HE1 PHE A 49 8.678 -3.199 -8.067 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.516 -1.017 -5.164 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.652 -2.023 -7.383 1.00 0.00 H new ATOM 780 N PRO A 50 10.551 -3.078 -0.938 1.00 0.00 N ATOM 781 CA PRO A 50 9.809 -2.957 0.306 1.00 0.00 C ATOM 782 C PRO A 50 8.727 -1.881 0.195 1.00 0.00 C ATOM 783 O PRO A 50 9.026 -0.719 -0.072 1.00 0.00 O ATOM 784 CB PRO A 50 10.857 -2.639 1.360 1.00 0.00 C ATOM 785 CG PRO A 50 12.074 -2.136 0.600 1.00 0.00 C ATOM 786 CD PRO A 50 11.883 -2.483 -0.868 1.00 0.00 C ATOM 0 HA PRO A 50 9.268 -3.867 0.564 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.493 -1.885 2.057 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.102 -3.524 1.947 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.185 -1.059 0.726 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.983 -2.597 0.986 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.954 -1.596 -1.497 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.647 -3.180 -1.213 1.00 0.00 H new ATOM 794 N VAL A 51 7.490 -2.308 0.407 1.00 0.00 N ATOM 795 CA VAL A 51 6.361 -1.396 0.335 1.00 0.00 C ATOM 796 C VAL A 51 5.504 -1.551 1.593 1.00 0.00 C ATOM 797 O VAL A 51 5.395 -2.646 2.142 1.00 0.00 O ATOM 798 CB VAL A 51 5.577 -1.636 -0.957 1.00 0.00 C ATOM 799 CG1 VAL A 51 6.503 -1.613 -2.174 1.00 0.00 C ATOM 800 CG2 VAL A 51 4.795 -2.949 -0.887 1.00 0.00 C ATOM 0 H VAL A 51 7.245 -3.273 0.629 1.00 0.00 H new ATOM 0 HA VAL A 51 6.706 -0.362 0.303 1.00 0.00 H new ATOM 0 HB VAL A 51 4.859 -0.824 -1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.920 -1.786 -3.078 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.994 -0.642 -2.239 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.256 -2.394 -2.073 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.247 -3.096 -1.817 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.488 -3.778 -0.739 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.093 -2.910 -0.054 1.00 0.00 H new ATOM 810 N PHE A 52 4.918 -0.439 2.012 1.00 0.00 N ATOM 811 CA PHE A 52 4.075 -0.438 3.195 1.00 0.00 C ATOM 812 C PHE A 52 2.603 -0.253 2.818 1.00 0.00 C ATOM 813 O PHE A 52 2.245 0.725 2.163 1.00 0.00 O ATOM 814 CB PHE A 52 4.520 0.743 4.060 1.00 0.00 C ATOM 815 CG PHE A 52 3.617 1.004 5.268 1.00 0.00 C ATOM 816 CD1 PHE A 52 3.790 0.290 6.413 1.00 0.00 C ATOM 817 CD2 PHE A 52 2.643 1.949 5.197 1.00 0.00 C ATOM 818 CE1 PHE A 52 2.952 0.532 7.534 1.00 0.00 C ATOM 819 CE2 PHE A 52 1.805 2.192 6.318 1.00 0.00 C ATOM 820 CZ PHE A 52 1.978 1.478 7.462 1.00 0.00 C ATOM 0 H PHE A 52 5.010 0.467 1.553 1.00 0.00 H new ATOM 0 HA PHE A 52 4.171 -1.387 3.722 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.536 0.561 4.411 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.552 1.641 3.443 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.564 -0.461 6.470 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.506 2.516 4.288 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.088 -0.035 8.443 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.031 2.943 6.262 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.341 1.662 8.314 1.00 0.00 H new ATOM 830 N PHE A 53 1.791 -1.207 3.249 1.00 0.00 N ATOM 831 CA PHE A 53 0.367 -1.161 2.965 1.00 0.00 C ATOM 832 C PHE A 53 -0.381 -0.367 4.038 1.00 0.00 C ATOM 833 O PHE A 53 -0.346 -0.721 5.216 1.00 0.00 O ATOM 834 CB PHE A 53 -0.138 -2.606 2.974 1.00 0.00 C ATOM 835 CG PHE A 53 0.232 -3.401 1.720 1.00 0.00 C ATOM 836 CD1 PHE A 53 1.527 -3.462 1.310 1.00 0.00 C ATOM 837 CD2 PHE A 53 -0.735 -4.047 1.015 1.00 0.00 C ATOM 838 CE1 PHE A 53 1.870 -4.200 0.147 1.00 0.00 C ATOM 839 CE2 PHE A 53 -0.392 -4.785 -0.149 1.00 0.00 C ATOM 840 CZ PHE A 53 0.903 -4.846 -0.558 1.00 0.00 C ATOM 0 H PHE A 53 2.092 -2.016 3.792 1.00 0.00 H new ATOM 0 HA PHE A 53 0.195 -0.675 2.005 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.267 -3.116 3.848 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.223 -2.601 3.082 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.295 -2.949 1.870 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.764 -3.999 1.340 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.899 -4.248 -0.178 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.160 -5.298 -0.709 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.164 -5.408 -1.443 1.00 0.00 H new ATOM 850 N PHE A 54 -1.040 0.693 3.593 1.00 0.00 N ATOM 851 CA PHE A 54 -1.794 1.541 4.500 1.00 0.00 C ATOM 852 C PHE A 54 -2.972 0.778 5.111 1.00 0.00 C ATOM 853 O PHE A 54 -3.344 -0.289 4.626 1.00 0.00 O ATOM 854 CB PHE A 54 -2.333 2.711 3.675 1.00 0.00 C ATOM 855 CG PHE A 54 -1.248 3.529 2.972 1.00 0.00 C ATOM 856 CD1 PHE A 54 -0.273 4.135 3.702 1.00 0.00 C ATOM 857 CD2 PHE A 54 -1.257 3.650 1.617 1.00 0.00 C ATOM 858 CE1 PHE A 54 0.734 4.894 3.050 1.00 0.00 C ATOM 859 CE2 PHE A 54 -0.250 4.408 0.965 1.00 0.00 C ATOM 860 CZ PHE A 54 0.725 5.014 1.695 1.00 0.00 C ATOM 0 H PHE A 54 -1.067 0.984 2.616 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.152 1.879 5.314 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.025 2.326 2.926 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.904 3.370 4.329 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.265 4.039 4.778 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.031 3.169 1.037 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.507 5.376 3.630 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.258 4.504 -0.111 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.492 5.590 1.199 1.00 0.00 H new ATOM 870 N GLY A 55 -3.526 1.356 6.167 1.00 0.00 N ATOM 871 CA GLY A 55 -4.653 0.745 6.849 1.00 0.00 C ATOM 872 C GLY A 55 -4.190 -0.389 7.766 1.00 0.00 C ATOM 873 O GLY A 55 -4.402 -0.340 8.976 1.00 0.00 O ATOM 0 H GLY A 55 -3.215 2.241 6.567 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.180 1.498 7.434 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.360 0.358 6.115 1.00 0.00 H new ATOM 877 N SER A 56 -3.566 -1.385 7.153 1.00 0.00 N ATOM 878 CA SER A 56 -3.071 -2.529 7.898 1.00 0.00 C ATOM 879 C SER A 56 -1.719 -2.196 8.532 1.00 0.00 C ATOM 880 O SER A 56 -1.528 -2.386 9.732 1.00 0.00 O ATOM 881 CB SER A 56 -2.946 -3.761 6.999 1.00 0.00 C ATOM 882 OG SER A 56 -2.733 -4.952 7.751 1.00 0.00 O ATOM 0 H SER A 56 -3.392 -1.423 6.149 1.00 0.00 H new ATOM 0 HA SER A 56 -3.788 -2.759 8.686 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.851 -3.867 6.401 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.119 -3.619 6.303 1.00 0.00 H new ATOM 0 HG SER A 56 -2.112 -5.537 7.269 1.00 0.00 H new ATOM 888 N HIS A 57 -0.815 -1.705 7.697 1.00 0.00 N ATOM 889 CA HIS A 57 0.514 -1.344 8.160 1.00 0.00 C ATOM 890 C HIS A 57 1.402 -2.589 8.195 1.00 0.00 C ATOM 891 O HIS A 57 1.789 -3.051 9.267 1.00 0.00 O ATOM 892 CB HIS A 57 0.443 -0.629 9.511 1.00 0.00 C ATOM 893 CG HIS A 57 -0.727 0.316 9.645 1.00 0.00 C ATOM 894 ND1 HIS A 57 -1.220 0.730 10.870 1.00 0.00 N ATOM 895 CD2 HIS A 57 -1.495 0.924 8.695 1.00 0.00 C ATOM 896 CE1 HIS A 57 -2.239 1.549 10.655 1.00 0.00 C ATOM 897 NE2 HIS A 57 -2.408 1.667 9.307 1.00 0.00 N ATOM 0 H HIS A 57 -0.977 -1.549 6.702 1.00 0.00 H new ATOM 0 HA HIS A 57 0.966 -0.638 7.463 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.386 -1.376 10.303 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.367 -0.071 9.664 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.379 0.818 7.626 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.832 2.037 11.414 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.119 2.233 8.845 1.00 0.00 H new ATOM 905 N ASP A 58 1.699 -3.098 7.008 1.00 0.00 N ATOM 906 CA ASP A 58 2.534 -4.281 6.888 1.00 0.00 C ATOM 907 C ASP A 58 3.415 -4.155 5.644 1.00 0.00 C ATOM 908 O ASP A 58 2.979 -3.629 4.621 1.00 0.00 O ATOM 909 CB ASP A 58 1.683 -5.543 6.739 1.00 0.00 C ATOM 910 CG ASP A 58 0.454 -5.606 7.648 1.00 0.00 C ATOM 911 OD1 ASP A 58 0.617 -5.283 8.844 1.00 0.00 O ATOM 912 OD2 ASP A 58 -0.620 -5.977 7.126 1.00 0.00 O ATOM 0 H ASP A 58 1.376 -2.712 6.121 1.00 0.00 H new ATOM 0 HA ASP A 58 3.139 -4.359 7.791 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.354 -5.621 5.703 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.310 -6.412 6.940 1.00 0.00 H new ATOM 917 N TYR A 59 4.640 -4.645 5.772 1.00 0.00 N ATOM 918 CA TYR A 59 5.586 -4.594 4.671 1.00 0.00 C ATOM 919 C TYR A 59 5.593 -5.911 3.892 1.00 0.00 C ATOM 920 O TYR A 59 5.406 -6.980 4.472 1.00 0.00 O ATOM 921 CB TYR A 59 6.961 -4.384 5.306 1.00 0.00 C ATOM 922 CG TYR A 59 7.052 -3.144 6.199 1.00 0.00 C ATOM 923 CD1 TYR A 59 7.172 -1.892 5.631 1.00 0.00 C ATOM 924 CD2 TYR A 59 7.013 -3.278 7.572 1.00 0.00 C ATOM 925 CE1 TYR A 59 7.258 -0.725 6.470 1.00 0.00 C ATOM 926 CE2 TYR A 59 7.098 -2.111 8.412 1.00 0.00 C ATOM 927 CZ TYR A 59 7.216 -0.893 7.820 1.00 0.00 C ATOM 928 OH TYR A 59 7.297 0.209 8.613 1.00 0.00 O ATOM 0 H TYR A 59 4.999 -5.079 6.622 1.00 0.00 H new ATOM 0 HA TYR A 59 5.321 -3.799 3.974 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.215 -5.264 5.897 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.707 -4.305 4.515 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.201 -1.787 4.556 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.919 -4.258 8.017 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.354 0.260 6.038 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.069 -2.202 9.488 1.00 0.00 H new ATOM 0 HH TYR A 59 7.253 -0.061 9.554 1.00 0.00 H new ATOM 938 N TYR A 60 5.810 -5.791 2.591 1.00 0.00 N ATOM 939 CA TYR A 60 5.844 -6.958 1.727 1.00 0.00 C ATOM 940 C TYR A 60 6.744 -6.717 0.514 1.00 0.00 C ATOM 941 O TYR A 60 6.985 -5.572 0.132 1.00 0.00 O ATOM 942 CB TYR A 60 4.406 -7.169 1.246 1.00 0.00 C ATOM 943 CG TYR A 60 3.406 -7.437 2.372 1.00 0.00 C ATOM 944 CD1 TYR A 60 3.584 -8.519 3.209 1.00 0.00 C ATOM 945 CD2 TYR A 60 2.327 -6.596 2.551 1.00 0.00 C ATOM 946 CE1 TYR A 60 2.643 -8.772 4.269 1.00 0.00 C ATOM 947 CE2 TYR A 60 1.385 -6.848 3.611 1.00 0.00 C ATOM 948 CZ TYR A 60 1.590 -7.924 4.418 1.00 0.00 C ATOM 949 OH TYR A 60 0.701 -8.162 5.419 1.00 0.00 O ATOM 0 H TYR A 60 5.964 -4.903 2.114 1.00 0.00 H new ATOM 0 HA TYR A 60 6.237 -7.821 2.264 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.086 -6.286 0.692 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.386 -8.007 0.549 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.429 -9.176 3.069 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.189 -5.748 1.896 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.770 -9.616 4.931 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.536 -6.198 3.762 1.00 0.00 H new ATOM 0 HH TYR A 60 0.128 -7.377 5.541 1.00 0.00 H new ATOM 959 N TRP A 61 7.218 -7.814 -0.059 1.00 0.00 N ATOM 960 CA TRP A 61 8.087 -7.735 -1.221 1.00 0.00 C ATOM 961 C TRP A 61 7.264 -8.115 -2.453 1.00 0.00 C ATOM 962 O TRP A 61 6.826 -9.257 -2.584 1.00 0.00 O ATOM 963 CB TRP A 61 9.328 -8.612 -1.037 1.00 0.00 C ATOM 964 CG TRP A 61 10.243 -8.163 0.104 1.00 0.00 C ATOM 965 CD1 TRP A 61 10.178 -8.507 1.397 1.00 0.00 C ATOM 966 CD2 TRP A 61 11.371 -7.269 0.000 1.00 0.00 C ATOM 967 NE1 TRP A 61 11.177 -7.902 2.132 1.00 0.00 N ATOM 968 CE2 TRP A 61 11.926 -7.125 1.256 1.00 0.00 C ATOM 969 CE3 TRP A 61 11.905 -6.603 -1.117 1.00 0.00 C ATOM 970 CZ2 TRP A 61 13.043 -6.321 1.513 1.00 0.00 C ATOM 971 CZ3 TRP A 61 13.021 -5.803 -0.843 1.00 0.00 C ATOM 972 CH2 TRP A 61 13.591 -5.648 0.415 1.00 0.00 C ATOM 0 H TRP A 61 7.017 -8.762 0.260 1.00 0.00 H new ATOM 0 HA TRP A 61 8.464 -6.721 -1.353 1.00 0.00 H new ATOM 0 HB2 TRP A 61 9.011 -9.638 -0.852 1.00 0.00 H new ATOM 0 HB3 TRP A 61 9.898 -8.617 -1.966 1.00 0.00 H new ATOM 0 HD1 TRP A 61 9.437 -9.174 1.812 1.00 0.00 H new ATOM 0 HE1 TRP A 61 11.337 -8.006 3.134 1.00 0.00 H new ATOM 0 HE3 TRP A 61 11.487 -6.701 -2.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.459 -6.225 2.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 13.470 -5.269 -1.667 1.00 0.00 H new ATOM 0 HH2 TRP A 61 14.453 -5.011 0.545 1.00 0.00 H new ATOM 983 N VAL A 62 7.079 -7.136 -3.327 1.00 0.00 N ATOM 984 CA VAL A 62 6.316 -7.354 -4.544 1.00 0.00 C ATOM 985 C VAL A 62 7.115 -6.832 -5.741 1.00 0.00 C ATOM 986 O VAL A 62 7.755 -5.786 -5.656 1.00 0.00 O ATOM 987 CB VAL A 62 4.935 -6.707 -4.419 1.00 0.00 C ATOM 988 CG1 VAL A 62 4.066 -7.460 -3.410 1.00 0.00 C ATOM 989 CG2 VAL A 62 5.054 -5.228 -4.044 1.00 0.00 C ATOM 0 H VAL A 62 7.444 -6.190 -3.216 1.00 0.00 H new ATOM 0 HA VAL A 62 6.148 -8.419 -4.704 1.00 0.00 H new ATOM 0 HB VAL A 62 4.448 -6.768 -5.392 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.090 -6.980 -3.340 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.940 -8.492 -3.737 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.548 -7.446 -2.433 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.058 -4.792 -3.962 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.571 -5.135 -3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.618 -4.702 -4.814 1.00 0.00 H new ATOM 999 N HIS A 63 7.050 -7.586 -6.828 1.00 0.00 N ATOM 1000 CA HIS A 63 7.759 -7.214 -8.041 1.00 0.00 C ATOM 1001 C HIS A 63 7.216 -5.882 -8.563 1.00 0.00 C ATOM 1002 O HIS A 63 6.528 -5.162 -7.842 1.00 0.00 O ATOM 1003 CB HIS A 63 7.683 -8.334 -9.080 1.00 0.00 C ATOM 1004 CG HIS A 63 6.302 -8.550 -9.651 1.00 0.00 C ATOM 1005 ND1 HIS A 63 6.006 -8.365 -10.990 1.00 0.00 N ATOM 1006 CD2 HIS A 63 5.141 -8.939 -9.050 1.00 0.00 C ATOM 1007 CE1 HIS A 63 4.722 -8.632 -11.176 1.00 0.00 C ATOM 1008 NE2 HIS A 63 4.187 -8.987 -9.972 1.00 0.00 N ATOM 0 H HIS A 63 6.517 -8.453 -6.894 1.00 0.00 H new ATOM 0 HA HIS A 63 8.817 -7.074 -7.821 1.00 0.00 H new ATOM 0 HB2 HIS A 63 8.370 -8.107 -9.895 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.026 -9.263 -8.624 1.00 0.00 H new ATOM 0 HD1 HIS A 63 6.665 -8.073 -11.712 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.019 -9.169 -8.002 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.192 -8.578 -12.115 1.00 0.00 H new ATOM 1016 N GLN A 64 7.546 -5.595 -9.814 1.00 0.00 N ATOM 1017 CA GLN A 64 7.101 -4.363 -10.442 1.00 0.00 C ATOM 1018 C GLN A 64 6.132 -4.670 -11.585 1.00 0.00 C ATOM 1019 O GLN A 64 6.156 -5.763 -12.148 1.00 0.00 O ATOM 1020 CB GLN A 64 8.291 -3.539 -10.938 1.00 0.00 C ATOM 1021 CG GLN A 64 9.014 -4.254 -12.081 1.00 0.00 C ATOM 1022 CD GLN A 64 9.936 -3.292 -12.833 1.00 0.00 C ATOM 1023 OE1 GLN A 64 11.149 -3.421 -12.827 1.00 0.00 O ATOM 1024 NE2 GLN A 64 9.295 -2.322 -13.479 1.00 0.00 N ATOM 0 H GLN A 64 8.117 -6.195 -10.410 1.00 0.00 H new ATOM 0 HA GLN A 64 6.575 -3.767 -9.696 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.946 -2.562 -11.276 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.985 -3.365 -10.116 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.596 -5.086 -11.684 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.283 -4.677 -12.770 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.277 -2.271 -13.443 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.822 -1.629 -14.011 1.00 0.00 H new ATOM 1033 N GLY A 65 5.301 -3.685 -11.895 1.00 0.00 N ATOM 1034 CA GLY A 65 4.326 -3.836 -12.961 1.00 0.00 C ATOM 1035 C GLY A 65 2.941 -4.160 -12.396 1.00 0.00 C ATOM 1036 O GLY A 65 1.981 -4.319 -13.148 1.00 0.00 O ATOM 0 H GLY A 65 5.283 -2.779 -11.426 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.278 -2.918 -13.547 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.642 -4.630 -13.637 1.00 0.00 H new ATOM 1040 N ARG A 66 2.882 -4.248 -11.075 1.00 0.00 N ATOM 1041 CA ARG A 66 1.632 -4.550 -10.400 1.00 0.00 C ATOM 1042 C ARG A 66 1.141 -3.329 -9.620 1.00 0.00 C ATOM 1043 O ARG A 66 -0.022 -3.266 -9.225 1.00 0.00 O ATOM 1044 CB ARG A 66 1.795 -5.729 -9.439 1.00 0.00 C ATOM 1045 CG ARG A 66 1.472 -7.053 -10.134 1.00 0.00 C ATOM 1046 CD ARG A 66 1.223 -8.163 -9.111 1.00 0.00 C ATOM 1047 NE ARG A 66 -0.044 -8.863 -9.422 1.00 0.00 N ATOM 1048 CZ ARG A 66 -0.653 -9.719 -8.590 1.00 0.00 C ATOM 1049 NH1 ARG A 66 -0.116 -9.986 -7.392 1.00 0.00 N ATOM 1050 NH2 ARG A 66 -1.800 -10.307 -8.956 1.00 0.00 N ATOM 0 H ARG A 66 3.680 -4.115 -10.454 1.00 0.00 H new ATOM 0 HA ARG A 66 0.900 -4.817 -11.163 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.816 -5.754 -9.058 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.138 -5.596 -8.580 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.592 -6.931 -10.765 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.297 -7.335 -10.788 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.051 -8.871 -9.122 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.178 -7.740 -8.107 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.481 -8.682 -10.326 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.757 -9.538 -7.113 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.580 -10.638 -6.759 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.209 -10.103 -9.868 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.264 -10.959 -8.323 1.00 0.00 H new ATOM 1064 N VAL A 67 2.053 -2.389 -9.420 1.00 0.00 N ATOM 1065 CA VAL A 67 1.728 -1.173 -8.694 1.00 0.00 C ATOM 1066 C VAL A 67 1.575 -0.018 -9.685 1.00 0.00 C ATOM 1067 O VAL A 67 2.365 0.112 -10.619 1.00 0.00 O ATOM 1068 CB VAL A 67 2.785 -0.905 -7.621 1.00 0.00 C ATOM 1069 CG1 VAL A 67 3.323 -2.215 -7.042 1.00 0.00 C ATOM 1070 CG2 VAL A 67 3.922 -0.044 -8.175 1.00 0.00 C ATOM 0 H VAL A 67 3.017 -2.445 -9.748 1.00 0.00 H new ATOM 0 HA VAL A 67 0.777 -1.282 -8.173 1.00 0.00 H new ATOM 0 HB VAL A 67 2.308 -0.352 -6.812 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.073 -1.996 -6.282 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.504 -2.778 -6.593 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.776 -2.806 -7.838 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.660 0.132 -7.392 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.395 -0.560 -9.010 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.522 0.910 -8.518 1.00 0.00 H new ATOM 1080 N PHE A 68 0.554 0.793 -9.448 1.00 0.00 N ATOM 1081 CA PHE A 68 0.288 1.933 -10.308 1.00 0.00 C ATOM 1082 C PHE A 68 0.569 3.248 -9.578 1.00 0.00 C ATOM 1083 O PHE A 68 0.548 3.297 -8.349 1.00 0.00 O ATOM 1084 CB PHE A 68 -1.195 1.877 -10.679 1.00 0.00 C ATOM 1085 CG PHE A 68 -1.568 0.694 -11.575 1.00 0.00 C ATOM 1086 CD1 PHE A 68 -0.725 0.300 -12.567 1.00 0.00 C ATOM 1087 CD2 PHE A 68 -2.742 0.036 -11.379 1.00 0.00 C ATOM 1088 CE1 PHE A 68 -1.071 -0.799 -13.398 1.00 0.00 C ATOM 1089 CE2 PHE A 68 -3.088 -1.062 -12.211 1.00 0.00 C ATOM 1090 CZ PHE A 68 -2.245 -1.456 -13.202 1.00 0.00 C ATOM 0 H PHE A 68 -0.099 0.683 -8.672 1.00 0.00 H new ATOM 0 HA PHE A 68 0.930 1.893 -11.188 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.786 1.828 -9.765 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.468 2.803 -11.185 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.207 0.823 -12.723 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.411 0.348 -10.591 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.402 -1.113 -14.185 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -4.021 -1.584 -12.056 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.508 -2.291 -13.834 1.00 0.00 H new ATOM 1100 N PRO A 69 0.833 4.309 -10.386 1.00 0.00 N ATOM 1101 CA PRO A 69 1.118 5.621 -9.830 1.00 0.00 C ATOM 1102 C PRO A 69 -0.159 6.287 -9.315 1.00 0.00 C ATOM 1103 O PRO A 69 -1.120 6.459 -10.063 1.00 0.00 O ATOM 1104 CB PRO A 69 1.776 6.394 -10.962 1.00 0.00 C ATOM 1105 CG PRO A 69 1.416 5.651 -12.238 1.00 0.00 C ATOM 1106 CD PRO A 69 0.867 4.289 -11.846 1.00 0.00 C ATOM 0 HA PRO A 69 1.775 5.576 -8.962 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.416 7.422 -10.994 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.857 6.439 -10.828 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.676 6.211 -12.810 1.00 0.00 H new ATOM 0 HG3 PRO A 69 2.293 5.540 -12.875 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.127 4.128 -12.263 1.00 0.00 H new ATOM 0 HD3 PRO A 69 1.502 3.484 -12.216 1.00 0.00 H new ATOM 1114 N TYR A 70 -0.128 6.645 -8.039 1.00 0.00 N ATOM 1115 CA TYR A 70 -1.272 7.288 -7.415 1.00 0.00 C ATOM 1116 C TYR A 70 -1.278 8.792 -7.699 1.00 0.00 C ATOM 1117 O TYR A 70 -0.398 9.518 -7.238 1.00 0.00 O ATOM 1118 CB TYR A 70 -1.110 7.067 -5.909 1.00 0.00 C ATOM 1119 CG TYR A 70 -2.195 7.735 -5.062 1.00 0.00 C ATOM 1120 CD1 TYR A 70 -2.155 9.096 -4.838 1.00 0.00 C ATOM 1121 CD2 TYR A 70 -3.214 6.976 -4.523 1.00 0.00 C ATOM 1122 CE1 TYR A 70 -3.176 9.725 -4.040 1.00 0.00 C ATOM 1123 CE2 TYR A 70 -4.235 7.605 -3.725 1.00 0.00 C ATOM 1124 CZ TYR A 70 -4.165 8.948 -3.523 1.00 0.00 C ATOM 1125 OH TYR A 70 -5.130 9.542 -2.770 1.00 0.00 O ATOM 0 H TYR A 70 0.671 6.502 -7.421 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.203 6.874 -7.801 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -1.114 5.996 -5.707 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.136 7.447 -5.599 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -1.358 9.690 -5.261 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.246 5.911 -4.699 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.156 10.789 -3.857 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -5.038 7.023 -3.297 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.772 8.866 -2.468 1.00 0.00 H new ATOM 1135 N VAL A 71 -2.279 9.214 -8.458 1.00 0.00 N ATOM 1136 CA VAL A 71 -2.411 10.618 -8.809 1.00 0.00 C ATOM 1137 C VAL A 71 -2.982 11.386 -7.616 1.00 0.00 C ATOM 1138 O VAL A 71 -3.445 10.783 -6.649 1.00 0.00 O ATOM 1139 CB VAL A 71 -3.258 10.762 -10.075 1.00 0.00 C ATOM 1140 CG1 VAL A 71 -3.254 12.208 -10.575 1.00 0.00 C ATOM 1141 CG2 VAL A 71 -2.781 9.803 -11.167 1.00 0.00 C ATOM 0 H VAL A 71 -3.006 8.609 -8.839 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.436 11.049 -9.035 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.285 10.497 -9.823 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.863 12.283 -11.476 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.664 12.861 -9.804 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.232 12.512 -10.802 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.400 9.926 -12.055 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.742 10.022 -11.415 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.860 8.776 -10.809 1.00 0.00 H new ATOM 1151 N GLU A 72 -2.930 12.706 -7.723 1.00 0.00 N ATOM 1152 CA GLU A 72 -3.437 13.563 -6.665 1.00 0.00 C ATOM 1153 C GLU A 72 -4.609 14.402 -7.177 1.00 0.00 C ATOM 1154 O GLU A 72 -5.740 14.239 -6.721 1.00 0.00 O ATOM 1155 CB GLU A 72 -2.328 14.456 -6.104 1.00 0.00 C ATOM 1156 CG GLU A 72 -2.520 14.693 -4.605 1.00 0.00 C ATOM 1157 CD GLU A 72 -3.977 15.038 -4.288 1.00 0.00 C ATOM 1158 OE1 GLU A 72 -4.445 16.068 -4.820 1.00 0.00 O ATOM 1159 OE2 GLU A 72 -4.589 14.265 -3.520 1.00 0.00 O ATOM 0 H GLU A 72 -2.544 13.203 -8.526 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.796 12.931 -5.853 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.358 13.992 -6.281 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.325 15.411 -6.629 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.225 13.802 -4.051 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.870 15.503 -4.275 1.00 0.00 H new ATOM 1166 N GLY A 73 -4.300 15.282 -8.118 1.00 0.00 N ATOM 1167 CA GLY A 73 -5.314 16.147 -8.697 1.00 0.00 C ATOM 1168 C GLY A 73 -6.233 15.362 -9.635 1.00 0.00 C ATOM 1169 O GLY A 73 -6.191 15.548 -10.851 1.00 0.00 O ATOM 0 H GLY A 73 -3.361 15.415 -8.494 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.904 16.604 -7.903 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -4.835 16.958 -9.246 1.00 0.00 H new ATOM 1173 N ASP A 74 -7.041 14.500 -9.036 1.00 0.00 N ATOM 1174 CA ASP A 74 -7.969 13.686 -9.802 1.00 0.00 C ATOM 1175 C ASP A 74 -8.760 12.787 -8.850 1.00 0.00 C ATOM 1176 O ASP A 74 -9.970 12.948 -8.699 1.00 0.00 O ATOM 1177 CB ASP A 74 -7.225 12.788 -10.792 1.00 0.00 C ATOM 1178 CG ASP A 74 -7.490 13.093 -12.268 1.00 0.00 C ATOM 1179 OD1 ASP A 74 -8.118 14.143 -12.526 1.00 0.00 O ATOM 1180 OD2 ASP A 74 -7.058 12.271 -13.104 1.00 0.00 O ATOM 0 H ASP A 74 -7.072 14.347 -8.028 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.632 14.356 -10.350 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.155 12.875 -10.605 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.499 11.751 -10.596 1.00 0.00 H new ATOM 1185 N LYS A 75 -8.043 11.860 -8.231 1.00 0.00 N ATOM 1186 CA LYS A 75 -8.663 10.935 -7.297 1.00 0.00 C ATOM 1187 C LYS A 75 -9.682 10.070 -8.043 1.00 0.00 C ATOM 1188 O LYS A 75 -10.440 10.573 -8.870 1.00 0.00 O ATOM 1189 CB LYS A 75 -9.253 11.692 -6.106 1.00 0.00 C ATOM 1190 CG LYS A 75 -8.752 11.109 -4.783 1.00 0.00 C ATOM 1191 CD LYS A 75 -9.117 12.020 -3.609 1.00 0.00 C ATOM 1192 CE LYS A 75 -10.349 11.495 -2.870 1.00 0.00 C ATOM 1193 NZ LYS A 75 -11.504 12.394 -3.083 1.00 0.00 N ATOM 0 H LYS A 75 -7.039 11.730 -8.358 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.917 10.259 -6.878 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.981 12.746 -6.169 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.341 11.641 -6.141 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.186 10.121 -4.630 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.671 10.980 -4.825 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.275 12.085 -2.919 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.310 13.029 -3.973 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.592 10.492 -3.222 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.134 11.415 -1.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.332 12.022 -2.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.275 13.344 -2.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.718 12.449 -4.099 1.00 0.00 H new ATOM 1207 N SER A 76 -9.666 8.785 -7.722 1.00 0.00 N ATOM 1208 CA SER A 76 -10.579 7.846 -8.351 1.00 0.00 C ATOM 1209 C SER A 76 -11.881 7.766 -7.550 1.00 0.00 C ATOM 1210 O SER A 76 -11.934 8.197 -6.400 1.00 0.00 O ATOM 1211 CB SER A 76 -9.945 6.459 -8.472 1.00 0.00 C ATOM 1212 OG SER A 76 -10.571 5.672 -9.482 1.00 0.00 O ATOM 0 H SER A 76 -9.035 8.372 -7.035 1.00 0.00 H new ATOM 0 HA SER A 76 -10.799 8.204 -9.357 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.884 6.564 -8.700 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.016 5.943 -7.514 1.00 0.00 H new ATOM 0 HG SER A 76 -10.137 4.795 -9.529 1.00 0.00 H new ATOM 1218 N PHE A 77 -12.899 7.211 -8.191 1.00 0.00 N ATOM 1219 CA PHE A 77 -14.197 7.069 -7.554 1.00 0.00 C ATOM 1220 C PHE A 77 -14.045 6.698 -6.077 1.00 0.00 C ATOM 1221 O PHE A 77 -14.251 7.534 -5.199 1.00 0.00 O ATOM 1222 CB PHE A 77 -14.930 5.939 -8.279 1.00 0.00 C ATOM 1223 CG PHE A 77 -16.232 6.374 -8.954 1.00 0.00 C ATOM 1224 CD1 PHE A 77 -16.201 6.931 -10.195 1.00 0.00 C ATOM 1225 CD2 PHE A 77 -17.420 6.204 -8.314 1.00 0.00 C ATOM 1226 CE1 PHE A 77 -17.410 7.335 -10.822 1.00 0.00 C ATOM 1227 CE2 PHE A 77 -18.628 6.608 -8.941 1.00 0.00 C ATOM 1228 CZ PHE A 77 -18.598 7.165 -10.182 1.00 0.00 C ATOM 0 H PHE A 77 -12.851 6.854 -9.145 1.00 0.00 H new ATOM 0 HA PHE A 77 -14.744 8.010 -7.610 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -14.267 5.514 -9.032 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -15.151 5.146 -7.565 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -15.258 7.066 -10.703 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -17.444 5.762 -7.329 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -17.386 7.777 -11.807 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -19.571 6.473 -8.433 1.00 0.00 H new ATOM 0 HZ PHE A 77 -19.517 7.472 -10.659 1.00 0.00 H new ATOM 1238 N ALA A 78 -13.685 5.443 -5.849 1.00 0.00 N ATOM 1239 CA ALA A 78 -13.503 4.951 -4.494 1.00 0.00 C ATOM 1240 C ALA A 78 -14.849 4.479 -3.943 1.00 0.00 C ATOM 1241 O ALA A 78 -15.862 5.161 -4.099 1.00 0.00 O ATOM 1242 CB ALA A 78 -12.872 6.048 -3.634 1.00 0.00 C ATOM 0 H ALA A 78 -13.515 4.752 -6.580 1.00 0.00 H new ATOM 0 HA ALA A 78 -12.825 4.097 -4.482 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -12.735 5.680 -2.617 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.905 6.327 -4.052 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -13.526 6.920 -3.619 1.00 0.00 H new ATOM 1248 N GLU A 79 -14.818 3.317 -3.308 1.00 0.00 N ATOM 1249 CA GLU A 79 -16.024 2.746 -2.732 1.00 0.00 C ATOM 1250 C GLU A 79 -16.940 3.855 -2.211 1.00 0.00 C ATOM 1251 O GLU A 79 -16.730 4.374 -1.115 1.00 0.00 O ATOM 1252 CB GLU A 79 -15.682 1.749 -1.622 1.00 0.00 C ATOM 1253 CG GLU A 79 -14.552 0.813 -2.054 1.00 0.00 C ATOM 1254 CD GLU A 79 -14.520 -0.445 -1.185 1.00 0.00 C ATOM 1255 OE1 GLU A 79 -15.621 -0.940 -0.862 1.00 0.00 O ATOM 1256 OE2 GLU A 79 -13.394 -0.884 -0.863 1.00 0.00 O ATOM 0 H GLU A 79 -13.977 2.755 -3.179 1.00 0.00 H new ATOM 0 HA GLU A 79 -16.554 2.202 -3.513 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.388 2.289 -0.722 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -16.566 1.164 -1.368 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -14.686 0.534 -3.099 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -13.597 1.333 -1.983 1.00 0.00 H new ATOM 1263 N GLY A 80 -17.936 4.185 -3.020 1.00 0.00 N ATOM 1264 CA GLY A 80 -18.884 5.223 -2.654 1.00 0.00 C ATOM 1265 C GLY A 80 -19.466 4.968 -1.262 1.00 0.00 C ATOM 1266 O GLY A 80 -19.140 5.675 -0.310 1.00 0.00 O ATOM 0 H GLY A 80 -18.107 3.752 -3.927 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -18.390 6.195 -2.673 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -19.689 5.260 -3.388 1.00 0.00 H new ATOM 1270 N GLN A 81 -20.317 3.955 -1.188 1.00 0.00 N ATOM 1271 CA GLN A 81 -20.948 3.598 0.072 1.00 0.00 C ATOM 1272 C GLN A 81 -19.927 3.652 1.210 1.00 0.00 C ATOM 1273 O GLN A 81 -19.002 2.842 1.258 1.00 0.00 O ATOM 1274 CB GLN A 81 -21.601 2.217 -0.014 1.00 0.00 C ATOM 1275 CG GLN A 81 -23.057 2.327 -0.471 1.00 0.00 C ATOM 1276 CD GLN A 81 -23.984 1.544 0.462 1.00 0.00 C ATOM 1277 OE1 GLN A 81 -23.684 1.304 1.619 1.00 0.00 O ATOM 1278 NE2 GLN A 81 -25.124 1.161 -0.106 1.00 0.00 N ATOM 0 H GLN A 81 -20.584 3.370 -1.980 1.00 0.00 H new ATOM 0 HA GLN A 81 -21.735 4.323 0.281 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -21.044 1.590 -0.710 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -21.557 1.729 0.960 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -23.357 3.375 -0.493 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -23.153 1.947 -1.488 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -25.312 1.396 -1.081 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -25.810 0.633 0.433 1.00 0.00 H new ATOM 1287 N THR A 82 -20.129 4.614 2.098 1.00 0.00 N ATOM 1288 CA THR A 82 -19.238 4.784 3.233 1.00 0.00 C ATOM 1289 C THR A 82 -19.789 4.052 4.459 1.00 0.00 C ATOM 1290 O THR A 82 -20.998 4.044 4.689 1.00 0.00 O ATOM 1291 CB THR A 82 -19.041 6.284 3.459 1.00 0.00 C ATOM 1292 OG1 THR A 82 -17.938 6.358 4.359 1.00 0.00 O ATOM 1293 CG2 THR A 82 -20.198 6.917 4.235 1.00 0.00 C ATOM 0 H THR A 82 -20.897 5.284 2.055 1.00 0.00 H new ATOM 0 HA THR A 82 -18.262 4.339 3.039 1.00 0.00 H new ATOM 0 HB THR A 82 -18.933 6.784 2.497 1.00 0.00 H new ATOM 0 HG1 THR A 82 -17.741 7.297 4.558 1.00 0.00 H new ATOM 0 HG21 THR A 82 -20.008 7.982 4.368 1.00 0.00 H new ATOM 0 HG22 THR A 82 -21.126 6.781 3.680 1.00 0.00 H new ATOM 0 HG23 THR A 82 -20.286 6.440 5.211 1.00 0.00 H new ATOM 1301 N SER A 83 -18.877 3.457 5.213 1.00 0.00 N ATOM 1302 CA SER A 83 -19.257 2.724 6.409 1.00 0.00 C ATOM 1303 C SER A 83 -18.844 3.508 7.656 1.00 0.00 C ATOM 1304 O SER A 83 -17.890 4.284 7.618 1.00 0.00 O ATOM 1305 CB SER A 83 -18.627 1.330 6.425 1.00 0.00 C ATOM 1306 OG SER A 83 -19.610 0.299 6.405 1.00 0.00 O ATOM 0 H SER A 83 -17.876 3.467 5.019 1.00 0.00 H new ATOM 0 HA SER A 83 -20.340 2.603 6.406 1.00 0.00 H new ATOM 0 HB2 SER A 83 -17.969 1.220 5.563 1.00 0.00 H new ATOM 0 HB3 SER A 83 -18.007 1.223 7.315 1.00 0.00 H new ATOM 0 HG SER A 83 -19.167 -0.575 6.414 1.00 0.00 H new ATOM 1312 N ILE A 84 -19.582 3.279 8.732 1.00 0.00 N ATOM 1313 CA ILE A 84 -19.304 3.954 9.988 1.00 0.00 C ATOM 1314 C ILE A 84 -17.812 3.836 10.306 1.00 0.00 C ATOM 1315 O ILE A 84 -17.236 4.722 10.936 1.00 0.00 O ATOM 1316 CB ILE A 84 -20.213 3.419 11.096 1.00 0.00 C ATOM 1317 CG1 ILE A 84 -20.157 4.318 12.333 1.00 0.00 C ATOM 1318 CG2 ILE A 84 -19.875 1.964 11.429 1.00 0.00 C ATOM 1319 CD1 ILE A 84 -21.442 5.136 12.475 1.00 0.00 C ATOM 0 H ILE A 84 -20.373 2.635 8.760 1.00 0.00 H new ATOM 0 HA ILE A 84 -19.530 5.017 9.907 1.00 0.00 H new ATOM 0 HB ILE A 84 -21.240 3.435 10.732 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -20.010 3.708 13.224 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -19.301 4.989 12.261 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -20.536 1.609 12.220 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -20.008 1.347 10.540 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -18.840 1.899 11.765 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -21.376 5.766 13.362 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -21.573 5.763 11.593 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -22.293 4.462 12.571 1.00 0.00 H new ATOM 1331 N ASN A 85 -17.229 2.734 9.856 1.00 0.00 N ATOM 1332 CA ASN A 85 -15.815 2.489 10.085 1.00 0.00 C ATOM 1333 C ASN A 85 -15.300 1.494 9.044 1.00 0.00 C ATOM 1334 O ASN A 85 -16.018 0.578 8.647 1.00 0.00 O ATOM 1335 CB ASN A 85 -15.578 1.888 11.472 1.00 0.00 C ATOM 1336 CG ASN A 85 -16.241 0.515 11.595 1.00 0.00 C ATOM 1337 OD1 ASN A 85 -17.208 0.201 10.921 1.00 0.00 O ATOM 1338 ND2 ASN A 85 -15.669 -0.283 12.492 1.00 0.00 N ATOM 0 H ASN A 85 -17.710 2.001 9.334 1.00 0.00 H new ATOM 0 HA ASN A 85 -15.291 3.442 10.011 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -14.507 1.796 11.654 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -15.975 2.557 12.235 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -16.038 -1.221 12.649 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -14.861 0.043 13.023 1.00 0.00 H new ATOM 1345 N LYS A 86 -14.059 1.707 8.631 1.00 0.00 N ATOM 1346 CA LYS A 86 -13.439 0.840 7.644 1.00 0.00 C ATOM 1347 C LYS A 86 -11.951 1.180 7.536 1.00 0.00 C ATOM 1348 O LYS A 86 -11.554 2.323 7.756 1.00 0.00 O ATOM 1349 CB LYS A 86 -14.187 0.924 6.312 1.00 0.00 C ATOM 1350 CG LYS A 86 -13.791 -0.229 5.387 1.00 0.00 C ATOM 1351 CD LYS A 86 -15.011 -0.783 4.648 1.00 0.00 C ATOM 1352 CE LYS A 86 -14.942 -0.457 3.155 1.00 0.00 C ATOM 1353 NZ LYS A 86 -16.261 -0.667 2.517 1.00 0.00 N ATOM 0 H LYS A 86 -13.466 2.468 8.962 1.00 0.00 H new ATOM 0 HA LYS A 86 -13.507 -0.202 7.956 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -15.262 0.898 6.492 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -13.968 1.875 5.827 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -13.050 0.117 4.666 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -13.323 -1.023 5.969 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -15.065 -1.863 4.786 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -15.921 -0.361 5.074 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.625 0.577 3.017 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.194 -1.087 2.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.196 -0.441 1.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.549 -1.660 2.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.966 -0.048 2.965 1.00 0.00 H new ATOM 1367 N THR A 87 -11.168 0.166 7.197 1.00 0.00 N ATOM 1368 CA THR A 87 -9.733 0.343 7.057 1.00 0.00 C ATOM 1369 C THR A 87 -9.410 1.071 5.751 1.00 0.00 C ATOM 1370 O THR A 87 -8.542 1.942 5.720 1.00 0.00 O ATOM 1371 CB THR A 87 -9.074 -1.034 7.164 1.00 0.00 C ATOM 1372 OG1 THR A 87 -9.429 -1.488 8.467 1.00 0.00 O ATOM 1373 CG2 THR A 87 -7.547 -0.951 7.201 1.00 0.00 C ATOM 0 H THR A 87 -11.501 -0.781 7.015 1.00 0.00 H new ATOM 0 HA THR A 87 -9.333 0.973 7.851 1.00 0.00 H new ATOM 0 HB THR A 87 -9.383 -1.651 6.320 1.00 0.00 H new ATOM 0 HG1 THR A 87 -9.044 -2.376 8.620 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.130 -1.955 7.277 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.186 -0.476 6.288 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.235 -0.362 8.064 1.00 0.00 H new ATOM 1381 N PHE A 88 -10.126 0.687 4.704 1.00 0.00 N ATOM 1382 CA PHE A 88 -9.926 1.293 3.398 1.00 0.00 C ATOM 1383 C PHE A 88 -9.874 2.818 3.504 1.00 0.00 C ATOM 1384 O PHE A 88 -8.851 3.430 3.199 1.00 0.00 O ATOM 1385 CB PHE A 88 -11.123 0.894 2.533 1.00 0.00 C ATOM 1386 CG PHE A 88 -11.005 1.327 1.070 1.00 0.00 C ATOM 1387 CD1 PHE A 88 -9.932 0.938 0.331 1.00 0.00 C ATOM 1388 CD2 PHE A 88 -11.973 2.100 0.509 1.00 0.00 C ATOM 1389 CE1 PHE A 88 -9.822 1.339 -1.027 1.00 0.00 C ATOM 1390 CE2 PHE A 88 -11.863 2.501 -0.849 1.00 0.00 C ATOM 1391 CZ PHE A 88 -10.790 2.112 -1.588 1.00 0.00 C ATOM 0 H PHE A 88 -10.845 -0.036 4.733 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.983 0.953 2.970 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.242 -0.189 2.572 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -12.027 1.330 2.958 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.163 0.324 0.777 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.825 2.409 1.096 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -8.970 1.030 -1.614 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.632 3.115 -1.295 1.00 0.00 H new ATOM 0 HZ PHE A 88 -10.706 2.417 -2.621 1.00 0.00 H new ATOM 1401 N LYS A 89 -10.989 3.389 3.936 1.00 0.00 N ATOM 1402 CA LYS A 89 -11.082 4.831 4.086 1.00 0.00 C ATOM 1403 C LYS A 89 -9.895 5.332 4.910 1.00 0.00 C ATOM 1404 O LYS A 89 -9.383 6.424 4.667 1.00 0.00 O ATOM 1405 CB LYS A 89 -12.443 5.222 4.666 1.00 0.00 C ATOM 1406 CG LYS A 89 -13.192 6.163 3.721 1.00 0.00 C ATOM 1407 CD LYS A 89 -12.829 7.623 4.000 1.00 0.00 C ATOM 1408 CE LYS A 89 -14.083 8.497 4.066 1.00 0.00 C ATOM 1409 NZ LYS A 89 -13.743 9.913 3.800 1.00 0.00 N ATOM 0 H LYS A 89 -11.836 2.879 4.187 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.023 5.320 3.114 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.039 4.326 4.840 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.305 5.706 5.633 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.949 5.915 2.688 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -14.267 6.023 3.839 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.283 7.692 4.941 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.165 7.992 3.218 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.814 8.149 3.336 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.545 8.406 5.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.605 10.492 3.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.062 10.246 4.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.323 9.997 2.852 1.00 0.00 H new ATOM 1423 N LYS A 90 -9.491 4.510 5.868 1.00 0.00 N ATOM 1424 CA LYS A 90 -8.374 4.856 6.729 1.00 0.00 C ATOM 1425 C LYS A 90 -7.076 4.798 5.922 1.00 0.00 C ATOM 1426 O LYS A 90 -6.194 5.638 6.095 1.00 0.00 O ATOM 1427 CB LYS A 90 -8.363 3.969 7.976 1.00 0.00 C ATOM 1428 CG LYS A 90 -7.153 4.279 8.859 1.00 0.00 C ATOM 1429 CD LYS A 90 -7.483 4.062 10.337 1.00 0.00 C ATOM 1430 CE LYS A 90 -6.211 4.061 11.188 1.00 0.00 C ATOM 1431 NZ LYS A 90 -6.548 3.929 12.623 1.00 0.00 N ATOM 0 H LYS A 90 -9.918 3.605 6.066 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.477 5.878 7.094 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.281 4.122 8.544 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.343 2.920 7.680 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.316 3.642 8.572 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.837 5.310 8.701 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.155 4.847 10.682 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.009 3.115 10.461 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.563 3.239 10.883 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.655 4.984 11.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.674 3.930 13.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.148 4.727 12.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -7.059 3.037 12.779 1.00 0.00 H new ATOM 1445 N ALA A 91 -6.999 3.796 5.057 1.00 0.00 N ATOM 1446 CA ALA A 91 -5.823 3.617 4.222 1.00 0.00 C ATOM 1447 C ALA A 91 -5.791 4.710 3.152 1.00 0.00 C ATOM 1448 O ALA A 91 -4.719 5.179 2.771 1.00 0.00 O ATOM 1449 CB ALA A 91 -5.835 2.211 3.619 1.00 0.00 C ATOM 0 H ALA A 91 -7.732 3.100 4.917 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.913 3.710 4.815 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.953 2.076 2.993 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.828 1.472 4.420 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -6.733 2.082 3.014 1.00 0.00 H new ATOM 1455 N LEU A 92 -6.978 5.085 2.698 1.00 0.00 N ATOM 1456 CA LEU A 92 -7.099 6.114 1.680 1.00 0.00 C ATOM 1457 C LEU A 92 -6.559 7.436 2.230 1.00 0.00 C ATOM 1458 O LEU A 92 -5.717 8.076 1.603 1.00 0.00 O ATOM 1459 CB LEU A 92 -8.540 6.201 1.175 1.00 0.00 C ATOM 1460 CG LEU A 92 -9.071 4.966 0.444 1.00 0.00 C ATOM 1461 CD1 LEU A 92 -10.600 4.959 0.417 1.00 0.00 C ATOM 1462 CD2 LEU A 92 -8.472 4.861 -0.960 1.00 0.00 C ATOM 0 H LEU A 92 -7.865 4.694 3.017 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.495 5.861 0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.191 6.403 2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.618 7.057 0.505 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.756 4.081 0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.951 4.071 -0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.982 4.951 1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -10.959 5.850 -0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -8.866 3.975 -1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.736 5.748 -1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.387 4.785 -0.888 1.00 0.00 H new ATOM 1474 N GLU A 93 -7.067 7.805 3.397 1.00 0.00 N ATOM 1475 CA GLU A 93 -6.646 9.039 4.039 1.00 0.00 C ATOM 1476 C GLU A 93 -5.139 9.013 4.304 1.00 0.00 C ATOM 1477 O GLU A 93 -4.431 9.963 3.973 1.00 0.00 O ATOM 1478 CB GLU A 93 -7.426 9.277 5.334 1.00 0.00 C ATOM 1479 CG GLU A 93 -8.911 9.508 5.045 1.00 0.00 C ATOM 1480 CD GLU A 93 -9.499 10.551 5.997 1.00 0.00 C ATOM 1481 OE1 GLU A 93 -9.341 11.752 5.691 1.00 0.00 O ATOM 1482 OE2 GLU A 93 -10.094 10.123 7.010 1.00 0.00 O ATOM 0 H GLU A 93 -7.766 7.272 3.914 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.862 9.868 3.365 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.310 8.419 5.996 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.015 10.141 5.857 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.037 9.839 4.014 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.455 8.569 5.147 1.00 0.00 H new ATOM 1489 N GLU A 94 -4.694 7.916 4.898 1.00 0.00 N ATOM 1490 CA GLU A 94 -3.284 7.754 5.210 1.00 0.00 C ATOM 1491 C GLU A 94 -2.438 7.923 3.947 1.00 0.00 C ATOM 1492 O GLU A 94 -1.523 8.745 3.914 1.00 0.00 O ATOM 1493 CB GLU A 94 -3.021 6.398 5.869 1.00 0.00 C ATOM 1494 CG GLU A 94 -3.102 6.505 7.394 1.00 0.00 C ATOM 1495 CD GLU A 94 -1.870 5.880 8.053 1.00 0.00 C ATOM 1496 OE1 GLU A 94 -1.866 4.637 8.183 1.00 0.00 O ATOM 1497 OE2 GLU A 94 -0.962 6.660 8.411 1.00 0.00 O ATOM 0 H GLU A 94 -5.285 7.131 5.172 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.998 8.529 5.921 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.749 5.669 5.513 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.036 6.033 5.578 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.183 7.552 7.685 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -4.003 6.005 7.750 1.00 0.00 H new ATOM 1504 N ALA A 95 -2.773 7.132 2.939 1.00 0.00 N ATOM 1505 CA ALA A 95 -2.054 7.184 1.677 1.00 0.00 C ATOM 1506 C ALA A 95 -1.899 8.643 1.242 1.00 0.00 C ATOM 1507 O ALA A 95 -0.848 9.036 0.740 1.00 0.00 O ATOM 1508 CB ALA A 95 -2.792 6.340 0.634 1.00 0.00 C ATOM 0 H ALA A 95 -3.532 6.452 2.970 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.054 6.765 1.788 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.253 6.379 -0.313 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.850 5.307 0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.799 6.733 0.495 1.00 0.00 H new ATOM 1514 N ALA A 96 -2.962 9.405 1.452 1.00 0.00 N ATOM 1515 CA ALA A 96 -2.958 10.812 1.089 1.00 0.00 C ATOM 1516 C ALA A 96 -1.855 11.532 1.868 1.00 0.00 C ATOM 1517 O ALA A 96 -0.947 12.111 1.274 1.00 0.00 O ATOM 1518 CB ALA A 96 -4.341 11.411 1.349 1.00 0.00 C ATOM 0 H ALA A 96 -3.832 9.075 1.869 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.745 10.933 0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.337 12.466 1.077 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.084 10.884 0.750 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.588 11.310 2.406 1.00 0.00 H new ATOM 1524 N LYS A 97 -1.971 11.472 3.187 1.00 0.00 N ATOM 1525 CA LYS A 97 -0.995 12.111 4.054 1.00 0.00 C ATOM 1526 C LYS A 97 0.401 11.946 3.451 1.00 0.00 C ATOM 1527 O LYS A 97 1.003 12.917 2.995 1.00 0.00 O ATOM 1528 CB LYS A 97 -1.116 11.576 5.482 1.00 0.00 C ATOM 1529 CG LYS A 97 -1.362 12.715 6.475 1.00 0.00 C ATOM 1530 CD LYS A 97 -2.831 12.766 6.898 1.00 0.00 C ATOM 1531 CE LYS A 97 -3.037 13.754 8.047 1.00 0.00 C ATOM 1532 NZ LYS A 97 -4.002 13.212 9.030 1.00 0.00 N ATOM 0 H LYS A 97 -2.726 10.991 3.676 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.188 13.182 4.122 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.934 10.858 5.537 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.205 11.043 5.753 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.731 12.579 7.354 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.077 13.665 6.022 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.448 13.058 6.048 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.160 11.773 7.204 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.084 13.955 8.537 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.402 14.704 7.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.130 13.895 9.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.915 13.043 8.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.639 12.317 9.416 1.00 0.00 H new ATOM 1546 N ARG A 98 0.876 10.709 3.469 1.00 0.00 N ATOM 1547 CA ARG A 98 2.191 10.404 2.930 1.00 0.00 C ATOM 1548 C ARG A 98 2.445 11.217 1.659 1.00 0.00 C ATOM 1549 O ARG A 98 3.370 12.027 1.610 1.00 0.00 O ATOM 1550 CB ARG A 98 2.322 8.914 2.609 1.00 0.00 C ATOM 1551 CG ARG A 98 2.659 8.110 3.867 1.00 0.00 C ATOM 1552 CD ARG A 98 1.443 8.004 4.791 1.00 0.00 C ATOM 1553 NE ARG A 98 1.510 6.748 5.571 1.00 0.00 N ATOM 1554 CZ ARG A 98 2.386 6.523 6.559 1.00 0.00 C ATOM 1555 NH1 ARG A 98 3.276 7.467 6.893 1.00 0.00 N ATOM 1556 NH2 ARG A 98 2.373 5.353 7.213 1.00 0.00 N ATOM 0 H ARG A 98 0.374 9.906 3.848 1.00 0.00 H new ATOM 0 HA ARG A 98 2.929 10.667 3.687 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.390 8.548 2.178 1.00 0.00 H new ATOM 0 HB3 ARG A 98 3.100 8.767 1.860 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.995 7.112 3.586 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.483 8.586 4.398 1.00 0.00 H new ATOM 0 HD2 ARG A 98 1.412 8.860 5.465 1.00 0.00 H new ATOM 0 HD3 ARG A 98 0.526 8.028 4.203 1.00 0.00 H new ATOM 0 HE ARG A 98 0.847 6.007 5.342 1.00 0.00 H new ATOM 0 HH11 ARG A 98 3.287 8.357 6.395 1.00 0.00 H new ATOM 0 HH12 ARG A 98 3.943 7.296 7.645 1.00 0.00 H new ATOM 0 HH21 ARG A 98 1.696 4.634 6.958 1.00 0.00 H new ATOM 0 HH22 ARG A 98 3.040 5.182 7.965 1.00 0.00 H new ATOM 1570 N PHE A 99 1.607 10.973 0.662 1.00 0.00 N ATOM 1571 CA PHE A 99 1.730 11.672 -0.606 1.00 0.00 C ATOM 1572 C PHE A 99 1.888 13.178 -0.389 1.00 0.00 C ATOM 1573 O PHE A 99 2.616 13.843 -1.125 1.00 0.00 O ATOM 1574 CB PHE A 99 0.439 11.415 -1.385 1.00 0.00 C ATOM 1575 CG PHE A 99 0.468 11.928 -2.826 1.00 0.00 C ATOM 1576 CD1 PHE A 99 0.216 13.239 -3.086 1.00 0.00 C ATOM 1577 CD2 PHE A 99 0.747 11.074 -3.847 1.00 0.00 C ATOM 1578 CE1 PHE A 99 0.244 13.716 -4.423 1.00 0.00 C ATOM 1579 CE2 PHE A 99 0.774 11.551 -5.185 1.00 0.00 C ATOM 1580 CZ PHE A 99 0.522 12.862 -5.444 1.00 0.00 C ATOM 0 H PHE A 99 0.841 10.301 0.707 1.00 0.00 H new ATOM 0 HA PHE A 99 2.608 11.315 -1.144 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.241 10.343 -1.396 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.391 11.887 -0.859 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.005 13.917 -2.275 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.948 10.033 -3.641 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.044 14.757 -4.629 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.995 10.873 -5.996 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.543 13.225 -6.461 1.00 0.00 H new ATOM 1590 N GLN A 100 1.195 13.674 0.626 1.00 0.00 N ATOM 1591 CA GLN A 100 1.250 15.089 0.950 1.00 0.00 C ATOM 1592 C GLN A 100 2.552 15.416 1.683 1.00 0.00 C ATOM 1593 O GLN A 100 3.077 16.522 1.561 1.00 0.00 O ATOM 1594 CB GLN A 100 0.034 15.510 1.778 1.00 0.00 C ATOM 1595 CG GLN A 100 -1.253 14.912 1.205 1.00 0.00 C ATOM 1596 CD GLN A 100 -2.212 16.012 0.746 1.00 0.00 C ATOM 1597 OE1 GLN A 100 -2.940 16.602 1.526 1.00 0.00 O ATOM 1598 NE2 GLN A 100 -2.171 16.253 -0.561 1.00 0.00 N ATOM 0 H GLN A 100 0.592 13.120 1.235 1.00 0.00 H new ATOM 0 HA GLN A 100 1.228 15.655 0.019 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.162 15.185 2.810 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.041 16.597 1.793 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.013 14.260 0.365 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.738 14.293 1.960 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -1.537 15.722 -1.158 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -2.773 16.969 -0.967 1.00 0.00 H new ATOM 1607 N GLU A 101 3.036 14.434 2.429 1.00 0.00 N ATOM 1608 CA GLU A 101 4.268 14.603 3.182 1.00 0.00 C ATOM 1609 C GLU A 101 5.472 14.596 2.239 1.00 0.00 C ATOM 1610 O GLU A 101 6.275 15.527 2.244 1.00 0.00 O ATOM 1611 CB GLU A 101 4.406 13.523 4.257 1.00 0.00 C ATOM 1612 CG GLU A 101 3.074 13.287 4.972 1.00 0.00 C ATOM 1613 CD GLU A 101 3.297 12.939 6.445 1.00 0.00 C ATOM 1614 OE1 GLU A 101 3.452 13.894 7.236 1.00 0.00 O ATOM 1615 OE2 GLU A 101 3.306 11.726 6.746 1.00 0.00 O ATOM 0 H GLU A 101 2.598 13.518 2.528 1.00 0.00 H new ATOM 0 HA GLU A 101 4.233 15.569 3.687 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.748 12.594 3.802 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.164 13.821 4.982 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.453 14.179 4.895 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.532 12.478 4.482 1.00 0.00 H new ATOM 1622 N LEU A 102 5.560 13.534 1.451 1.00 0.00 N ATOM 1623 CA LEU A 102 6.653 13.393 0.504 1.00 0.00 C ATOM 1624 C LEU A 102 6.902 14.737 -0.184 1.00 0.00 C ATOM 1625 O LEU A 102 7.948 15.354 0.012 1.00 0.00 O ATOM 1626 CB LEU A 102 6.374 12.246 -0.469 1.00 0.00 C ATOM 1627 CG LEU A 102 7.111 10.935 -0.190 1.00 0.00 C ATOM 1628 CD1 LEU A 102 7.175 10.651 1.313 1.00 0.00 C ATOM 1629 CD2 LEU A 102 6.482 9.776 -0.965 1.00 0.00 C ATOM 0 H LEU A 102 4.892 12.763 1.449 1.00 0.00 H new ATOM 0 HA LEU A 102 7.574 13.124 1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.303 12.045 -0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 102 6.632 12.578 -1.475 1.00 0.00 H new ATOM 0 HG LEU A 102 8.137 11.039 -0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 102 7.704 9.713 1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 102 7.703 11.462 1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 102 6.164 10.575 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 102 7.025 8.856 -0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 102 5.440 9.661 -0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 102 6.532 9.984 -2.034 1.00 0.00 H new ATOM 1641 N LYS A 103 5.924 15.150 -0.976 1.00 0.00 N ATOM 1642 CA LYS A 103 6.024 16.409 -1.695 1.00 0.00 C ATOM 1643 C LYS A 103 6.435 17.515 -0.721 1.00 0.00 C ATOM 1644 O LYS A 103 7.164 18.434 -1.092 1.00 0.00 O ATOM 1645 CB LYS A 103 4.724 16.702 -2.446 1.00 0.00 C ATOM 1646 CG LYS A 103 3.529 16.713 -1.490 1.00 0.00 C ATOM 1647 CD LYS A 103 2.211 16.596 -2.258 1.00 0.00 C ATOM 1648 CE LYS A 103 1.263 17.741 -1.898 1.00 0.00 C ATOM 1649 NZ LYS A 103 1.771 19.024 -2.434 1.00 0.00 N ATOM 0 H LYS A 103 5.058 14.635 -1.136 1.00 0.00 H new ATOM 0 HA LYS A 103 6.799 16.352 -2.459 1.00 0.00 H new ATOM 0 HB2 LYS A 103 4.800 17.666 -2.950 1.00 0.00 H new ATOM 0 HB3 LYS A 103 4.569 15.949 -3.219 1.00 0.00 H new ATOM 0 HG2 LYS A 103 3.617 15.888 -0.783 1.00 0.00 H new ATOM 0 HG3 LYS A 103 3.534 17.634 -0.907 1.00 0.00 H new ATOM 0 HD2 LYS A 103 2.409 16.606 -3.330 1.00 0.00 H new ATOM 0 HD3 LYS A 103 1.737 15.641 -2.030 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.271 17.539 -2.301 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.160 17.808 -0.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.029 19.749 -2.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.603 19.324 -1.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.039 18.902 -3.431 1.00 0.00 H new ATOM 1663 N ALA A 104 5.950 17.391 0.505 1.00 0.00 N ATOM 1664 CA ALA A 104 6.257 18.369 1.535 1.00 0.00 C ATOM 1665 C ALA A 104 7.776 18.501 1.669 1.00 0.00 C ATOM 1666 O ALA A 104 8.359 19.485 1.217 1.00 0.00 O ATOM 1667 CB ALA A 104 5.589 17.955 2.848 1.00 0.00 C ATOM 0 H ALA A 104 5.346 16.627 0.809 1.00 0.00 H new ATOM 0 HA ALA A 104 5.863 19.349 1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 104 5.819 18.689 3.621 1.00 0.00 H new ATOM 0 HB2 ALA A 104 4.509 17.904 2.707 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.962 16.977 3.153 1.00 0.00 H new ATOM 1673 N SER A 105 8.372 17.496 2.293 1.00 0.00 N ATOM 1674 CA SER A 105 9.811 17.487 2.493 1.00 0.00 C ATOM 1675 C SER A 105 10.520 17.167 1.176 1.00 0.00 C ATOM 1676 O SER A 105 10.688 16.000 0.825 1.00 0.00 O ATOM 1677 CB SER A 105 10.212 16.477 3.570 1.00 0.00 C ATOM 1678 OG SER A 105 9.894 16.940 4.880 1.00 0.00 O ATOM 0 H SER A 105 7.884 16.682 2.667 1.00 0.00 H new ATOM 0 HA SER A 105 10.115 18.478 2.831 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.704 15.530 3.387 1.00 0.00 H new ATOM 0 HB3 SER A 105 11.282 16.282 3.504 1.00 0.00 H new ATOM 0 HG SER A 105 10.164 16.267 5.539 1.00 0.00 H new ATOM 1684 N GLY A 106 10.917 18.224 0.482 1.00 0.00 N ATOM 1685 CA GLY A 106 11.604 18.070 -0.789 1.00 0.00 C ATOM 1686 C GLY A 106 11.099 19.088 -1.813 1.00 0.00 C ATOM 1687 O GLY A 106 10.286 19.952 -1.485 1.00 0.00 O ATOM 0 H GLY A 106 10.776 19.190 0.776 1.00 0.00 H new ATOM 0 HA2 GLY A 106 12.677 18.197 -0.644 1.00 0.00 H new ATOM 0 HA3 GLY A 106 11.451 17.060 -1.169 1.00 0.00 H new ATOM 1691 N PRO A 107 11.613 18.949 -3.064 1.00 0.00 N ATOM 1692 CA PRO A 107 11.222 19.847 -4.138 1.00 0.00 C ATOM 1693 C PRO A 107 9.815 19.518 -4.642 1.00 0.00 C ATOM 1694 O PRO A 107 9.447 18.349 -4.747 1.00 0.00 O ATOM 1695 CB PRO A 107 12.291 19.673 -5.204 1.00 0.00 C ATOM 1696 CG PRO A 107 12.980 18.355 -4.893 1.00 0.00 C ATOM 1697 CD PRO A 107 12.577 17.938 -3.488 1.00 0.00 C ATOM 0 HA PRO A 107 11.164 20.887 -3.817 1.00 0.00 H new ATOM 0 HB2 PRO A 107 11.850 19.657 -6.201 1.00 0.00 H new ATOM 0 HB3 PRO A 107 13.001 20.499 -5.183 1.00 0.00 H new ATOM 0 HG2 PRO A 107 12.689 17.593 -5.616 1.00 0.00 H new ATOM 0 HG3 PRO A 107 14.062 18.464 -4.963 1.00 0.00 H new ATOM 0 HD2 PRO A 107 12.135 16.942 -3.482 1.00 0.00 H new ATOM 0 HD3 PRO A 107 13.439 17.908 -2.821 1.00 0.00 H new ATOM 1705 N SER A 108 9.068 20.570 -4.941 1.00 0.00 N ATOM 1706 CA SER A 108 7.710 20.409 -5.432 1.00 0.00 C ATOM 1707 C SER A 108 7.702 20.417 -6.962 1.00 0.00 C ATOM 1708 O SER A 108 8.235 21.334 -7.584 1.00 0.00 O ATOM 1709 CB SER A 108 6.794 21.508 -4.891 1.00 0.00 C ATOM 1710 OG SER A 108 6.705 21.477 -3.469 1.00 0.00 O ATOM 0 H SER A 108 9.377 21.538 -4.853 1.00 0.00 H new ATOM 0 HA SER A 108 7.330 19.451 -5.078 1.00 0.00 H new ATOM 0 HB2 SER A 108 7.168 22.481 -5.210 1.00 0.00 H new ATOM 0 HB3 SER A 108 5.798 21.393 -5.319 1.00 0.00 H new ATOM 0 HG SER A 108 6.113 22.195 -3.163 1.00 0.00 H new ATOM 1716 N SER A 109 7.091 19.384 -7.524 1.00 0.00 N ATOM 1717 CA SER A 109 7.007 19.261 -8.969 1.00 0.00 C ATOM 1718 C SER A 109 5.663 19.800 -9.463 1.00 0.00 C ATOM 1719 O SER A 109 5.621 20.720 -10.278 1.00 0.00 O ATOM 1720 CB SER A 109 7.189 17.807 -9.410 1.00 0.00 C ATOM 1721 OG SER A 109 6.895 17.627 -10.792 1.00 0.00 O ATOM 0 H SER A 109 6.650 18.625 -7.005 1.00 0.00 H new ATOM 0 HA SER A 109 7.812 19.850 -9.409 1.00 0.00 H new ATOM 0 HB2 SER A 109 8.215 17.495 -9.214 1.00 0.00 H new ATOM 0 HB3 SER A 109 6.541 17.164 -8.815 1.00 0.00 H new ATOM 0 HG SER A 109 7.025 16.686 -11.034 1.00 0.00 H new ATOM 1727 N GLY A 110 4.597 19.204 -8.949 1.00 0.00 N ATOM 1728 CA GLY A 110 3.255 19.613 -9.327 1.00 0.00 C ATOM 1729 C GLY A 110 3.039 19.457 -10.833 1.00 0.00 C ATOM 1730 O GLY A 110 2.797 20.438 -11.535 1.00 0.00 O ATOM 0 H GLY A 110 4.636 18.441 -8.274 1.00 0.00 H new ATOM 0 HA2 GLY A 110 2.522 19.013 -8.787 1.00 0.00 H new ATOM 0 HA3 GLY A 110 3.092 20.651 -9.038 1.00 0.00 H new TER 1734 GLY A 110