USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 602 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 GLN : amide:sc= -1.2! C(o=-0.3!,f=-7.5!) USER MOD Set 1.2: A 83 THR OG1 : rot 101:sc= 0.895 USER MOD Set 2.1: A 44 HIS : no HE2:sc= 0.94 K(o=1.4,f=-2.8!) USER MOD Set 2.2: A 45 SER OG : rot 180:sc= 0.468 USER MOD Single : A 8 TYR OH : rot 30:sc= -1.07 USER MOD Single : A 12 THR OG1 : rot 170:sc= -1.22 USER MOD Single : A 13 ASN :FLIP amide:sc= -0.248 F(o=-0.77,f=-0.25) USER MOD Single : A 17 SER OG : rot 37:sc= -0.735! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -64:sc= 0.0627 USER MOD Single : A 37 ASN : amide:sc= -0.819 K(o=-0.82,f=-2.8!) USER MOD Single : A 40 GLN : amide:sc= -0.944 K(o=-0.94,f=-1.6) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN :FLIP amide:sc= -3.91! C(o=-6.9!,f=-3.9!) USER MOD Single : A 56 HIS : no HD1:sc= -0.46 X(o=-0.46,f=-0.017) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc=-0.00231 K(o=-0.0023,f=-0.52) USER MOD Single : A 66 LYS NZ :NH3+ -142:sc= -0.371 (180deg=-1.04) USER MOD Single : A 71 GLN : amide:sc= -1.04 K(o=-1,f=-1.9) USER MOD Single : A 73 THR OG1 : rot 40:sc= -9.5! USER MOD Single : A 75 LYS NZ :NH3+ 151:sc= -0.0834 (180deg=-0.494) USER MOD Single : A 80 TYR OH : rot 180:sc= -1.38! USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 8 12.337 -2.373 18.692 1.00 0.00 N ATOM 2 CA TYR A 8 11.464 -2.895 17.605 1.00 0.00 C ATOM 3 C TYR A 8 12.260 -2.963 16.302 1.00 0.00 C ATOM 4 O TYR A 8 12.488 -1.963 15.651 1.00 0.00 O ATOM 5 CB TYR A 8 10.264 -1.966 17.421 1.00 0.00 C ATOM 6 CG TYR A 8 9.428 -2.446 16.259 1.00 0.00 C ATOM 7 CD1 TYR A 8 9.763 -2.067 14.953 1.00 0.00 C ATOM 8 CD2 TYR A 8 8.322 -3.272 16.487 1.00 0.00 C ATOM 9 CE1 TYR A 8 8.988 -2.514 13.874 1.00 0.00 C ATOM 10 CE2 TYR A 8 7.548 -3.719 15.410 1.00 0.00 C ATOM 11 CZ TYR A 8 7.881 -3.339 14.103 1.00 0.00 C ATOM 12 OH TYR A 8 7.118 -3.781 13.043 1.00 0.00 O ATOM 0 HA TYR A 8 11.112 -3.892 17.870 1.00 0.00 H new ATOM 0 HB2 TYR A 8 9.664 -1.946 18.331 1.00 0.00 H new ATOM 0 HB3 TYR A 8 10.604 -0.946 17.241 1.00 0.00 H new ATOM 0 HD1 TYR A 8 10.618 -1.431 14.777 1.00 0.00 H new ATOM 0 HD2 TYR A 8 8.065 -3.565 17.494 1.00 0.00 H new ATOM 0 HE1 TYR A 8 9.245 -2.222 12.867 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.694 -4.357 15.586 1.00 0.00 H new ATOM 0 HH TYR A 8 7.682 -3.861 12.245 1.00 0.00 H new ATOM 22 N VAL A 9 12.686 -4.134 15.915 1.00 0.00 N ATOM 23 CA VAL A 9 13.466 -4.258 14.654 1.00 0.00 C ATOM 24 C VAL A 9 12.746 -5.204 13.695 1.00 0.00 C ATOM 25 O VAL A 9 13.359 -5.882 12.895 1.00 0.00 O ATOM 26 CB VAL A 9 14.859 -4.806 14.966 1.00 0.00 C ATOM 27 CG1 VAL A 9 15.646 -3.777 15.779 1.00 0.00 C ATOM 28 CG2 VAL A 9 14.726 -6.096 15.780 1.00 0.00 C ATOM 0 H VAL A 9 12.528 -5.008 16.417 1.00 0.00 H new ATOM 0 HA VAL A 9 13.559 -3.277 14.189 1.00 0.00 H new ATOM 0 HB VAL A 9 15.384 -5.011 14.033 1.00 0.00 H new ATOM 0 HG11 VAL A 9 16.638 -4.170 16.000 1.00 0.00 H new ATOM 0 HG12 VAL A 9 15.740 -2.855 15.205 1.00 0.00 H new ATOM 0 HG13 VAL A 9 15.121 -3.572 16.712 1.00 0.00 H new ATOM 0 HG21 VAL A 9 15.718 -6.489 16.004 1.00 0.00 H new ATOM 0 HG22 VAL A 9 14.200 -5.886 16.711 1.00 0.00 H new ATOM 0 HG23 VAL A 9 14.165 -6.833 15.205 1.00 0.00 H new ATOM 38 N ALA A 10 11.447 -5.247 13.768 1.00 0.00 N ATOM 39 CA ALA A 10 10.676 -6.143 12.858 1.00 0.00 C ATOM 40 C ALA A 10 9.216 -6.218 13.319 1.00 0.00 C ATOM 41 O ALA A 10 8.915 -5.956 14.467 1.00 0.00 O ATOM 42 CB ALA A 10 11.291 -7.544 12.880 1.00 0.00 C ATOM 0 H ALA A 10 10.883 -4.700 14.419 1.00 0.00 H new ATOM 0 HA ALA A 10 10.713 -5.744 11.844 1.00 0.00 H new ATOM 0 HB1 ALA A 10 10.728 -8.199 12.215 1.00 0.00 H new ATOM 0 HB2 ALA A 10 12.327 -7.492 12.546 1.00 0.00 H new ATOM 0 HB3 ALA A 10 11.257 -7.941 13.895 1.00 0.00 H new ATOM 48 N PRO A 11 8.352 -6.576 12.401 1.00 0.00 N ATOM 49 CA PRO A 11 6.907 -6.702 12.671 1.00 0.00 C ATOM 50 C PRO A 11 6.608 -8.022 13.389 1.00 0.00 C ATOM 51 O PRO A 11 7.476 -8.622 13.992 1.00 0.00 O ATOM 52 CB PRO A 11 6.278 -6.681 11.275 1.00 0.00 C ATOM 53 CG PRO A 11 7.389 -7.111 10.287 1.00 0.00 C ATOM 54 CD PRO A 11 8.733 -6.889 11.008 1.00 0.00 C ATOM 0 HA PRO A 11 6.521 -5.914 13.318 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.427 -7.361 11.222 1.00 0.00 H new ATOM 0 HB3 PRO A 11 5.906 -5.686 11.032 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.270 -8.157 10.003 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.340 -6.524 9.370 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.363 -7.777 10.958 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.297 -6.073 10.557 1.00 0.00 H new ATOM 62 N THR A 12 5.385 -8.477 13.333 1.00 0.00 N ATOM 63 CA THR A 12 5.037 -9.757 14.015 1.00 0.00 C ATOM 64 C THR A 12 4.412 -10.724 13.006 1.00 0.00 C ATOM 65 O THR A 12 4.828 -11.859 12.881 1.00 0.00 O ATOM 66 CB THR A 12 4.038 -9.475 15.140 1.00 0.00 C ATOM 67 OG1 THR A 12 4.616 -8.566 16.066 1.00 0.00 O ATOM 68 CG2 THR A 12 3.689 -10.780 15.854 1.00 0.00 C ATOM 0 H THR A 12 4.614 -8.019 12.846 1.00 0.00 H new ATOM 0 HA THR A 12 5.939 -10.205 14.431 1.00 0.00 H new ATOM 0 HB THR A 12 3.131 -9.040 14.721 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.930 -8.259 16.695 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.978 -10.578 16.655 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.246 -11.477 15.142 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.594 -11.218 16.275 1.00 0.00 H new ATOM 76 N ASN A 13 3.422 -10.280 12.280 1.00 0.00 N ATOM 77 CA ASN A 13 2.773 -11.166 11.276 1.00 0.00 C ATOM 78 C ASN A 13 2.533 -10.361 10.000 1.00 0.00 C ATOM 79 O ASN A 13 2.823 -9.182 9.940 1.00 0.00 O ATOM 80 CB ASN A 13 1.440 -11.678 11.827 1.00 0.00 C ATOM 81 CG ASN A 13 1.103 -13.018 11.175 1.00 0.00 C ATOM 82 OD1 ASN A 13 0.199 -13.064 10.236 1.00 0.00 O flip ATOM 83 ND2 ASN A 13 1.671 -14.034 11.520 1.00 0.00 N flip ATOM 0 H ASN A 13 3.035 -9.338 12.340 1.00 0.00 H new ATOM 0 HA ASN A 13 3.415 -12.020 11.060 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.501 -11.793 12.909 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.649 -10.955 11.627 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.378 -13.999 12.254 1.00 0.00 H new ATOM 0 HD22 ASN A 13 1.441 -14.923 11.076 1.00 0.00 H new ATOM 90 N ALA A 14 2.018 -10.975 8.973 1.00 0.00 N ATOM 91 CA ALA A 14 1.793 -10.206 7.723 1.00 0.00 C ATOM 92 C ALA A 14 0.638 -9.230 7.914 1.00 0.00 C ATOM 93 O ALA A 14 0.675 -8.116 7.431 1.00 0.00 O ATOM 94 CB ALA A 14 1.488 -11.142 6.570 1.00 0.00 C ATOM 0 H ALA A 14 1.748 -11.958 8.945 1.00 0.00 H new ATOM 0 HA ALA A 14 2.701 -9.649 7.491 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.326 -10.561 5.662 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.327 -11.821 6.421 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.591 -11.718 6.797 1.00 0.00 H new ATOM 100 N VAL A 15 -0.383 -9.613 8.628 1.00 0.00 N ATOM 101 CA VAL A 15 -1.501 -8.661 8.846 1.00 0.00 C ATOM 102 C VAL A 15 -0.896 -7.344 9.318 1.00 0.00 C ATOM 103 O VAL A 15 -1.125 -6.291 8.745 1.00 0.00 O ATOM 104 CB VAL A 15 -2.452 -9.213 9.895 1.00 0.00 C ATOM 105 CG1 VAL A 15 -3.464 -8.131 10.275 1.00 0.00 C ATOM 106 CG2 VAL A 15 -3.179 -10.418 9.299 1.00 0.00 C ATOM 0 H VAL A 15 -0.490 -10.529 9.063 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.066 -8.510 7.926 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.903 -9.516 10.787 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.149 -8.522 11.027 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.938 -7.266 10.678 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.028 -7.833 9.391 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.867 -10.829 10.037 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.737 -10.106 8.416 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.451 -11.179 9.018 1.00 0.00 H new ATOM 116 N GLU A 16 -0.084 -7.402 10.336 1.00 0.00 N ATOM 117 CA GLU A 16 0.570 -6.168 10.817 1.00 0.00 C ATOM 118 C GLU A 16 1.641 -5.782 9.795 1.00 0.00 C ATOM 119 O GLU A 16 2.027 -4.641 9.697 1.00 0.00 O ATOM 120 CB GLU A 16 1.173 -6.402 12.211 1.00 0.00 C ATOM 121 CG GLU A 16 2.610 -6.915 12.104 1.00 0.00 C ATOM 122 CD GLU A 16 3.578 -5.737 12.220 1.00 0.00 C ATOM 123 OE1 GLU A 16 3.751 -5.038 11.236 1.00 0.00 O ATOM 124 OE2 GLU A 16 4.129 -5.553 13.293 1.00 0.00 O ATOM 0 H GLU A 16 0.151 -8.251 10.850 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.149 -5.354 10.913 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.156 -5.472 12.780 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.565 -7.122 12.759 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.808 -7.642 12.892 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.755 -7.428 11.153 1.00 0.00 H new ATOM 131 N SER A 17 2.110 -6.723 9.011 1.00 0.00 N ATOM 132 CA SER A 17 3.124 -6.365 7.981 1.00 0.00 C ATOM 133 C SER A 17 2.513 -5.304 7.067 1.00 0.00 C ATOM 134 O SER A 17 3.106 -4.275 6.793 1.00 0.00 O ATOM 135 CB SER A 17 3.519 -7.576 7.145 1.00 0.00 C ATOM 136 OG SER A 17 4.237 -8.488 7.966 1.00 0.00 O ATOM 0 H SER A 17 1.838 -7.706 9.041 1.00 0.00 H new ATOM 0 HA SER A 17 4.020 -5.993 8.478 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.631 -8.057 6.735 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.133 -7.266 6.299 1.00 0.00 H new ATOM 0 HG SER A 17 3.850 -8.492 8.866 1.00 0.00 H new ATOM 142 N LYS A 18 1.307 -5.540 6.605 1.00 0.00 N ATOM 143 CA LYS A 18 0.651 -4.538 5.723 1.00 0.00 C ATOM 144 C LYS A 18 0.324 -3.302 6.547 1.00 0.00 C ATOM 145 O LYS A 18 0.681 -2.197 6.193 1.00 0.00 O ATOM 146 CB LYS A 18 -0.642 -5.109 5.140 1.00 0.00 C ATOM 147 CG LYS A 18 -1.433 -3.990 4.450 1.00 0.00 C ATOM 148 CD LYS A 18 -0.478 -3.099 3.647 1.00 0.00 C ATOM 149 CE LYS A 18 -1.161 -2.636 2.359 1.00 0.00 C ATOM 150 NZ LYS A 18 -0.123 -2.254 1.361 1.00 0.00 N ATOM 0 H LYS A 18 0.758 -6.377 6.801 1.00 0.00 H new ATOM 0 HA LYS A 18 1.324 -4.283 4.904 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.413 -5.900 4.426 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.242 -5.558 5.931 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.187 -4.419 3.790 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.962 -3.394 5.194 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.183 -2.236 4.244 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.433 -3.648 3.409 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.789 -3.433 1.960 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.814 -1.788 2.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.584 -1.939 0.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.459 -1.481 1.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.482 -3.075 1.158 1.00 0.00 H new ATOM 164 N LEU A 19 -0.338 -3.477 7.655 1.00 0.00 N ATOM 165 CA LEU A 19 -0.659 -2.297 8.494 1.00 0.00 C ATOM 166 C LEU A 19 0.648 -1.576 8.795 1.00 0.00 C ATOM 167 O LEU A 19 0.709 -0.370 8.824 1.00 0.00 O ATOM 168 CB LEU A 19 -1.320 -2.750 9.798 1.00 0.00 C ATOM 169 CG LEU A 19 -2.838 -2.821 9.616 1.00 0.00 C ATOM 170 CD1 LEU A 19 -3.354 -1.486 9.078 1.00 0.00 C ATOM 171 CD2 LEU A 19 -3.187 -3.936 8.626 1.00 0.00 C ATOM 0 H LEU A 19 -0.666 -4.375 8.011 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.350 -1.633 7.974 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.934 -3.726 10.091 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.073 -2.056 10.601 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.305 -3.030 10.578 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.435 -1.539 8.949 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.111 -0.691 9.783 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.884 -1.275 8.117 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.268 -3.984 8.499 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.717 -3.729 7.664 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.824 -4.890 9.009 1.00 0.00 H new ATOM 183 N ALA A 20 1.702 -2.317 8.993 1.00 0.00 N ATOM 184 CA ALA A 20 3.019 -1.685 9.263 1.00 0.00 C ATOM 185 C ALA A 20 3.336 -0.749 8.101 1.00 0.00 C ATOM 186 O ALA A 20 3.697 0.396 8.289 1.00 0.00 O ATOM 187 CB ALA A 20 4.097 -2.768 9.365 1.00 0.00 C ATOM 0 H ALA A 20 1.706 -3.337 8.979 1.00 0.00 H new ATOM 0 HA ALA A 20 2.992 -1.130 10.201 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.063 -2.303 9.563 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.850 -3.452 10.177 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.147 -3.322 8.427 1.00 0.00 H new ATOM 193 N GLU A 21 3.188 -1.228 6.895 1.00 0.00 N ATOM 194 CA GLU A 21 3.463 -0.361 5.716 1.00 0.00 C ATOM 195 C GLU A 21 2.461 0.798 5.699 1.00 0.00 C ATOM 196 O GLU A 21 2.832 1.948 5.819 1.00 0.00 O ATOM 197 CB GLU A 21 3.330 -1.180 4.431 1.00 0.00 C ATOM 198 CG GLU A 21 4.702 -1.723 4.024 1.00 0.00 C ATOM 199 CD GLU A 21 4.536 -2.690 2.850 1.00 0.00 C ATOM 200 OE1 GLU A 21 3.484 -2.667 2.232 1.00 0.00 O ATOM 201 OE2 GLU A 21 5.465 -3.436 2.587 1.00 0.00 O ATOM 0 H GLU A 21 2.890 -2.179 6.677 1.00 0.00 H new ATOM 0 HA GLU A 21 4.477 0.035 5.781 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.632 -2.003 4.583 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.922 -0.560 3.633 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.362 -0.902 3.743 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.169 -2.233 4.867 1.00 0.00 H new ATOM 208 N ILE A 22 1.192 0.514 5.561 1.00 0.00 N ATOM 209 CA ILE A 22 0.196 1.625 5.551 1.00 0.00 C ATOM 210 C ILE A 22 0.494 2.550 6.728 1.00 0.00 C ATOM 211 O ILE A 22 0.524 3.758 6.601 1.00 0.00 O ATOM 212 CB ILE A 22 -1.231 1.063 5.642 1.00 0.00 C ATOM 213 CG1 ILE A 22 -2.163 2.048 6.356 1.00 0.00 C ATOM 214 CG2 ILE A 22 -1.234 -0.253 6.379 1.00 0.00 C ATOM 215 CD1 ILE A 22 -2.230 3.355 5.565 1.00 0.00 C ATOM 0 H ILE A 22 0.807 -0.425 5.456 1.00 0.00 H new ATOM 0 HA ILE A 22 0.270 2.186 4.620 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.593 0.909 4.625 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.160 1.617 6.451 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.801 2.240 7.366 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.253 -0.637 6.434 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.605 -0.968 5.849 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.846 -0.106 7.387 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.893 4.055 6.074 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.232 3.788 5.493 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.612 3.155 4.564 1.00 0.00 H new ATOM 227 N TRP A 23 0.718 1.978 7.866 1.00 0.00 N ATOM 228 CA TRP A 23 1.026 2.786 9.077 1.00 0.00 C ATOM 229 C TRP A 23 2.123 3.804 8.768 1.00 0.00 C ATOM 230 O TRP A 23 1.897 4.997 8.763 1.00 0.00 O ATOM 231 CB TRP A 23 1.535 1.863 10.180 1.00 0.00 C ATOM 232 CG TRP A 23 0.414 1.506 11.096 1.00 0.00 C ATOM 233 CD1 TRP A 23 -0.709 0.841 10.739 1.00 0.00 C ATOM 234 CD2 TRP A 23 0.294 1.787 12.514 1.00 0.00 C ATOM 235 NE1 TRP A 23 -1.509 0.691 11.857 1.00 0.00 N ATOM 236 CE2 TRP A 23 -0.932 1.263 12.975 1.00 0.00 C ATOM 237 CE3 TRP A 23 1.127 2.441 13.434 1.00 0.00 C ATOM 238 CZ2 TRP A 23 -1.320 1.386 14.307 1.00 0.00 C ATOM 239 CZ3 TRP A 23 0.740 2.569 14.775 1.00 0.00 C ATOM 240 CH2 TRP A 23 -0.482 2.042 15.212 1.00 0.00 C ATOM 0 H TRP A 23 0.702 0.969 8.017 1.00 0.00 H new ATOM 0 HA TRP A 23 0.120 3.303 9.392 1.00 0.00 H new ATOM 0 HB2 TRP A 23 1.962 0.960 9.743 1.00 0.00 H new ATOM 0 HB3 TRP A 23 2.332 2.354 10.739 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -0.942 0.486 9.746 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -2.412 0.217 11.857 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.072 2.848 13.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -2.263 0.977 14.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 1.387 3.077 15.475 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -0.776 2.143 16.246 1.00 0.00 H new ATOM 251 N GLU A 24 3.318 3.338 8.536 1.00 0.00 N ATOM 252 CA GLU A 24 4.442 4.276 8.260 1.00 0.00 C ATOM 253 C GLU A 24 4.149 5.097 7.002 1.00 0.00 C ATOM 254 O GLU A 24 4.568 6.230 6.878 1.00 0.00 O ATOM 255 CB GLU A 24 5.736 3.481 8.062 1.00 0.00 C ATOM 256 CG GLU A 24 5.584 2.546 6.862 1.00 0.00 C ATOM 257 CD GLU A 24 6.665 1.465 6.911 1.00 0.00 C ATOM 258 OE1 GLU A 24 6.712 0.748 7.897 1.00 0.00 O ATOM 259 OE2 GLU A 24 7.424 1.370 5.960 1.00 0.00 O ATOM 0 H GLU A 24 3.565 2.348 8.525 1.00 0.00 H new ATOM 0 HA GLU A 24 4.554 4.953 9.107 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.572 4.162 7.902 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.961 2.904 8.959 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.596 2.086 6.870 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.665 3.113 5.934 1.00 0.00 H new ATOM 266 N ARG A 25 3.442 4.532 6.067 1.00 0.00 N ATOM 267 CA ARG A 25 3.129 5.272 4.809 1.00 0.00 C ATOM 268 C ARG A 25 2.165 6.428 5.097 1.00 0.00 C ATOM 269 O ARG A 25 2.514 7.586 4.980 1.00 0.00 O ATOM 270 CB ARG A 25 2.487 4.309 3.805 1.00 0.00 C ATOM 271 CG ARG A 25 1.817 5.101 2.680 1.00 0.00 C ATOM 272 CD ARG A 25 1.560 4.178 1.488 1.00 0.00 C ATOM 273 NE ARG A 25 2.616 4.395 0.460 1.00 0.00 N ATOM 274 CZ ARG A 25 2.349 4.198 -0.802 1.00 0.00 C ATOM 275 NH1 ARG A 25 1.598 5.047 -1.451 1.00 0.00 N ATOM 276 NH2 ARG A 25 2.829 3.152 -1.415 1.00 0.00 N ATOM 0 H ARG A 25 3.064 3.586 6.117 1.00 0.00 H new ATOM 0 HA ARG A 25 4.052 5.679 4.396 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.244 3.643 3.392 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.751 3.682 4.308 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.878 5.528 3.031 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.453 5.933 2.378 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.561 3.137 1.812 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.576 4.379 1.063 1.00 0.00 H new ATOM 0 HE ARG A 25 3.548 4.698 0.743 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.220 5.864 -0.971 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.389 4.893 -2.437 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.413 2.487 -0.908 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.620 2.998 -2.401 1.00 0.00 H new ATOM 290 N VAL A 26 0.946 6.121 5.448 1.00 0.00 N ATOM 291 CA VAL A 26 -0.051 7.197 5.716 1.00 0.00 C ATOM 292 C VAL A 26 0.324 7.975 6.979 1.00 0.00 C ATOM 293 O VAL A 26 0.071 9.159 7.079 1.00 0.00 O ATOM 294 CB VAL A 26 -1.433 6.568 5.894 1.00 0.00 C ATOM 295 CG1 VAL A 26 -2.444 7.640 6.310 1.00 0.00 C ATOM 296 CG2 VAL A 26 -1.876 5.946 4.568 1.00 0.00 C ATOM 0 H VAL A 26 0.597 5.169 5.561 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.062 7.888 4.873 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.383 5.801 6.667 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.426 7.185 6.435 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.130 8.090 7.252 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.496 8.409 5.540 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.861 5.496 4.689 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.922 6.719 3.801 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.161 5.180 4.269 1.00 0.00 H new ATOM 306 N LEU A 27 0.907 7.331 7.948 1.00 0.00 N ATOM 307 CA LEU A 27 1.266 8.061 9.196 1.00 0.00 C ATOM 308 C LEU A 27 2.593 8.805 9.006 1.00 0.00 C ATOM 309 O LEU A 27 3.068 9.485 9.895 1.00 0.00 O ATOM 310 CB LEU A 27 1.364 7.066 10.353 1.00 0.00 C ATOM 311 CG LEU A 27 0.107 6.189 10.353 1.00 0.00 C ATOM 312 CD1 LEU A 27 0.181 5.166 11.488 1.00 0.00 C ATOM 313 CD2 LEU A 27 -1.129 7.073 10.547 1.00 0.00 C ATOM 0 H LEU A 27 1.149 6.340 7.933 1.00 0.00 H new ATOM 0 HA LEU A 27 0.494 8.796 9.426 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.256 6.449 10.246 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.455 7.596 11.301 1.00 0.00 H new ATOM 0 HG LEU A 27 0.039 5.662 9.401 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.717 4.548 11.480 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.058 4.534 11.351 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.254 5.687 12.443 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.024 6.451 10.547 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.053 7.601 11.498 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.190 7.797 9.734 1.00 0.00 H new ATOM 325 N GLY A 28 3.184 8.700 7.844 1.00 0.00 N ATOM 326 CA GLY A 28 4.465 9.420 7.583 1.00 0.00 C ATOM 327 C GLY A 28 5.525 9.003 8.600 1.00 0.00 C ATOM 328 O GLY A 28 6.087 9.825 9.294 1.00 0.00 O ATOM 0 H GLY A 28 2.833 8.145 7.063 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.814 9.201 6.574 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.303 10.496 7.638 1.00 0.00 H new ATOM 332 N VAL A 29 5.812 7.737 8.689 1.00 0.00 N ATOM 333 CA VAL A 29 6.848 7.278 9.659 1.00 0.00 C ATOM 334 C VAL A 29 7.740 6.239 8.985 1.00 0.00 C ATOM 335 O VAL A 29 7.616 5.969 7.807 1.00 0.00 O ATOM 336 CB VAL A 29 6.188 6.644 10.891 1.00 0.00 C ATOM 337 CG1 VAL A 29 6.850 7.188 12.159 1.00 0.00 C ATOM 338 CG2 VAL A 29 4.696 6.980 10.919 1.00 0.00 C ATOM 0 H VAL A 29 5.377 7.000 8.135 1.00 0.00 H new ATOM 0 HA VAL A 29 7.439 8.138 9.975 1.00 0.00 H new ATOM 0 HB VAL A 29 6.311 5.562 10.843 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.382 6.739 13.035 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.912 6.943 12.149 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.728 8.270 12.198 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.237 6.525 11.797 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.567 8.062 10.961 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.219 6.593 10.019 1.00 0.00 H new ATOM 348 N SER A 30 8.635 5.647 9.724 1.00 0.00 N ATOM 349 CA SER A 30 9.526 4.619 9.125 1.00 0.00 C ATOM 350 C SER A 30 9.971 3.641 10.211 1.00 0.00 C ATOM 351 O SER A 30 11.144 3.493 10.492 1.00 0.00 O ATOM 352 CB SER A 30 10.747 5.296 8.503 1.00 0.00 C ATOM 353 OG SER A 30 11.505 4.329 7.786 1.00 0.00 O ATOM 0 H SER A 30 8.787 5.831 10.716 1.00 0.00 H new ATOM 0 HA SER A 30 8.987 4.076 8.349 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.432 6.097 7.834 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.360 5.752 9.280 1.00 0.00 H new ATOM 0 HG SER A 30 11.859 3.662 8.411 1.00 0.00 H new ATOM 359 N GLY A 31 9.034 2.976 10.822 1.00 0.00 N ATOM 360 CA GLY A 31 9.369 2.003 11.897 1.00 0.00 C ATOM 361 C GLY A 31 8.085 1.669 12.653 1.00 0.00 C ATOM 362 O GLY A 31 7.487 0.631 12.455 1.00 0.00 O ATOM 0 H GLY A 31 8.038 3.066 10.620 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.805 1.100 11.470 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.111 2.425 12.575 1.00 0.00 H new ATOM 366 N ILE A 32 7.643 2.558 13.500 1.00 0.00 N ATOM 367 CA ILE A 32 6.382 2.311 14.250 1.00 0.00 C ATOM 368 C ILE A 32 6.503 1.020 15.065 1.00 0.00 C ATOM 369 O ILE A 32 7.232 0.115 14.710 1.00 0.00 O ATOM 370 CB ILE A 32 5.232 2.194 13.248 1.00 0.00 C ATOM 371 CG1 ILE A 32 4.998 3.556 12.590 1.00 0.00 C ATOM 372 CG2 ILE A 32 3.959 1.751 13.968 1.00 0.00 C ATOM 373 CD1 ILE A 32 4.727 3.362 11.097 1.00 0.00 C ATOM 0 H ILE A 32 8.102 3.445 13.704 1.00 0.00 H new ATOM 0 HA ILE A 32 6.191 3.136 14.936 1.00 0.00 H new ATOM 0 HB ILE A 32 5.488 1.456 12.488 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.154 4.059 13.061 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.870 4.195 12.732 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.144 1.670 13.249 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.126 0.782 14.439 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.698 2.485 14.731 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.560 4.332 10.628 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.585 2.877 10.632 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.842 2.739 10.966 1.00 0.00 H new ATOM 385 N GLY A 33 5.796 0.932 16.159 1.00 0.00 N ATOM 386 CA GLY A 33 5.871 -0.296 17.000 1.00 0.00 C ATOM 387 C GLY A 33 4.765 -1.271 16.594 1.00 0.00 C ATOM 388 O GLY A 33 4.173 -1.149 15.540 1.00 0.00 O ATOM 0 H GLY A 33 5.170 1.658 16.507 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.846 -0.769 16.883 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.768 -0.033 18.053 1.00 0.00 H new ATOM 392 N ILE A 34 4.488 -2.243 17.421 1.00 0.00 N ATOM 393 CA ILE A 34 3.421 -3.234 17.080 1.00 0.00 C ATOM 394 C ILE A 34 2.127 -2.902 17.830 1.00 0.00 C ATOM 395 O ILE A 34 1.121 -3.559 17.652 1.00 0.00 O ATOM 396 CB ILE A 34 3.873 -4.657 17.448 1.00 0.00 C ATOM 397 CG1 ILE A 34 5.049 -4.613 18.431 1.00 0.00 C ATOM 398 CG2 ILE A 34 4.313 -5.394 16.182 1.00 0.00 C ATOM 399 CD1 ILE A 34 4.573 -4.066 19.778 1.00 0.00 C ATOM 0 H ILE A 34 4.952 -2.395 18.316 1.00 0.00 H new ATOM 0 HA ILE A 34 3.238 -3.182 16.007 1.00 0.00 H new ATOM 0 HB ILE A 34 3.037 -5.176 17.916 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.466 -5.612 18.560 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.845 -3.984 18.033 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.634 -6.403 16.441 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.478 -5.447 15.483 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.141 -4.858 15.718 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.411 -4.036 20.475 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.177 -3.060 19.643 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.792 -4.712 20.178 1.00 0.00 H new ATOM 411 N LEU A 35 2.127 -1.887 18.653 1.00 0.00 N ATOM 412 CA LEU A 35 0.875 -1.536 19.378 1.00 0.00 C ATOM 413 C LEU A 35 0.905 -0.061 19.788 1.00 0.00 C ATOM 414 O LEU A 35 0.677 0.292 20.929 1.00 0.00 O ATOM 415 CB LEU A 35 0.707 -2.422 20.610 1.00 0.00 C ATOM 416 CG LEU A 35 -0.652 -2.140 21.246 1.00 0.00 C ATOM 417 CD1 LEU A 35 -1.626 -3.259 20.876 1.00 0.00 C ATOM 418 CD2 LEU A 35 -0.499 -2.079 22.764 1.00 0.00 C ATOM 0 H LEU A 35 2.932 -1.292 18.852 1.00 0.00 H new ATOM 0 HA LEU A 35 0.027 -1.702 18.714 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.781 -3.473 20.330 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.505 -2.226 21.326 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.036 -1.187 20.881 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.597 -3.060 21.329 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.733 -3.304 19.792 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.243 -4.211 21.243 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.469 -1.878 23.220 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.117 -3.032 23.130 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.198 -1.284 23.028 1.00 0.00 H new ATOM 430 N ASP A 36 1.142 0.799 18.836 1.00 0.00 N ATOM 431 CA ASP A 36 1.147 2.263 19.104 1.00 0.00 C ATOM 432 C ASP A 36 -0.295 2.712 19.351 1.00 0.00 C ATOM 433 O ASP A 36 -1.128 1.932 19.753 1.00 0.00 O ATOM 434 CB ASP A 36 1.703 2.968 17.863 1.00 0.00 C ATOM 435 CG ASP A 36 3.103 3.505 18.162 1.00 0.00 C ATOM 436 OD1 ASP A 36 3.306 3.996 19.259 1.00 0.00 O ATOM 437 OD2 ASP A 36 3.950 3.414 17.288 1.00 0.00 O ATOM 0 H ASP A 36 1.336 0.543 17.868 1.00 0.00 H new ATOM 0 HA ASP A 36 1.758 2.504 19.974 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.741 2.273 17.024 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.044 3.785 17.571 1.00 0.00 H new ATOM 442 N ASN A 37 -0.600 3.953 19.109 1.00 0.00 N ATOM 443 CA ASN A 37 -1.999 4.433 19.312 1.00 0.00 C ATOM 444 C ASN A 37 -2.374 5.347 18.148 1.00 0.00 C ATOM 445 O ASN A 37 -3.094 6.308 18.311 1.00 0.00 O ATOM 446 CB ASN A 37 -2.097 5.215 20.622 1.00 0.00 C ATOM 447 CG ASN A 37 -1.908 4.264 21.804 1.00 0.00 C ATOM 448 OD1 ASN A 37 -2.224 3.094 21.714 1.00 0.00 O ATOM 449 ND2 ASN A 37 -1.404 4.720 22.917 1.00 0.00 N ATOM 0 H ASN A 37 0.057 4.660 18.779 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.677 3.581 19.357 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.339 5.998 20.647 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.067 5.708 20.691 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.275 4.095 23.712 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.139 5.702 22.992 1.00 0.00 H new ATOM 456 N PHE A 38 -1.881 5.034 16.978 1.00 0.00 N ATOM 457 CA PHE A 38 -2.161 5.862 15.748 1.00 0.00 C ATOM 458 C PHE A 38 -1.744 7.330 15.955 1.00 0.00 C ATOM 459 O PHE A 38 -1.014 7.881 15.155 1.00 0.00 O ATOM 460 CB PHE A 38 -3.658 5.793 15.371 1.00 0.00 C ATOM 461 CG PHE A 38 -3.958 4.475 14.680 1.00 0.00 C ATOM 462 CD1 PHE A 38 -3.122 4.021 13.659 1.00 0.00 C ATOM 463 CD2 PHE A 38 -5.047 3.690 15.086 1.00 0.00 C ATOM 464 CE1 PHE A 38 -3.371 2.795 13.040 1.00 0.00 C ATOM 465 CE2 PHE A 38 -5.286 2.453 14.474 1.00 0.00 C ATOM 466 CZ PHE A 38 -4.450 2.008 13.451 1.00 0.00 C ATOM 0 H PHE A 38 -1.283 4.224 16.812 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.569 5.446 14.933 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.272 5.892 16.266 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.915 6.624 14.715 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.280 4.620 13.347 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.702 4.039 15.871 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.728 2.454 12.242 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.118 1.844 14.795 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.636 1.056 12.977 1.00 0.00 H new ATOM 476 N PHE A 39 -2.183 7.978 17.002 1.00 0.00 N ATOM 477 CA PHE A 39 -1.785 9.396 17.213 1.00 0.00 C ATOM 478 C PHE A 39 -0.422 9.458 17.903 1.00 0.00 C ATOM 479 O PHE A 39 -0.117 10.397 18.612 1.00 0.00 O ATOM 480 CB PHE A 39 -2.816 10.117 18.080 1.00 0.00 C ATOM 481 CG PHE A 39 -2.366 11.544 18.256 1.00 0.00 C ATOM 482 CD1 PHE A 39 -2.360 12.410 17.158 1.00 0.00 C ATOM 483 CD2 PHE A 39 -1.926 11.995 19.506 1.00 0.00 C ATOM 484 CE1 PHE A 39 -1.920 13.727 17.308 1.00 0.00 C ATOM 485 CE2 PHE A 39 -1.481 13.314 19.654 1.00 0.00 C ATOM 486 CZ PHE A 39 -1.481 14.179 18.554 1.00 0.00 C ATOM 0 H PHE A 39 -2.797 7.586 17.716 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.729 9.885 16.240 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.799 10.083 17.610 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.909 9.625 19.048 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.696 12.060 16.193 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.930 11.327 20.354 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.919 14.396 16.460 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.138 13.664 20.616 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.141 15.198 18.669 1.00 0.00 H new ATOM 496 N GLN A 40 0.411 8.484 17.690 1.00 0.00 N ATOM 497 CA GLN A 40 1.751 8.515 18.322 1.00 0.00 C ATOM 498 C GLN A 40 2.623 9.434 17.474 1.00 0.00 C ATOM 499 O GLN A 40 3.277 9.007 16.544 1.00 0.00 O ATOM 500 CB GLN A 40 2.349 7.091 18.343 1.00 0.00 C ATOM 501 CG GLN A 40 1.924 6.382 19.631 1.00 0.00 C ATOM 502 CD GLN A 40 3.065 6.444 20.648 1.00 0.00 C ATOM 503 OE1 GLN A 40 3.866 7.358 20.623 1.00 0.00 O ATOM 504 NE2 GLN A 40 3.177 5.503 21.545 1.00 0.00 N ATOM 0 H GLN A 40 0.222 7.669 17.106 1.00 0.00 H new ATOM 0 HA GLN A 40 1.693 8.875 19.349 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.007 6.528 17.475 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.436 7.140 18.283 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.031 6.854 20.041 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.667 5.344 19.420 1.00 0.00 H new ATOM 0 HE21 GLN A 40 2.505 4.736 21.566 1.00 0.00 H new ATOM 0 HE22 GLN A 40 3.937 5.534 22.225 1.00 0.00 H new ATOM 513 N ILE A 41 2.594 10.703 17.773 1.00 0.00 N ATOM 514 CA ILE A 41 3.382 11.693 16.984 1.00 0.00 C ATOM 515 C ILE A 41 3.214 11.399 15.493 1.00 0.00 C ATOM 516 O ILE A 41 4.127 10.949 14.830 1.00 0.00 O ATOM 517 CB ILE A 41 4.867 11.634 17.373 1.00 0.00 C ATOM 518 CG1 ILE A 41 5.397 10.203 17.238 1.00 0.00 C ATOM 519 CG2 ILE A 41 5.031 12.094 18.822 1.00 0.00 C ATOM 520 CD1 ILE A 41 6.913 10.201 17.446 1.00 0.00 C ATOM 0 H ILE A 41 2.052 11.102 18.539 1.00 0.00 H new ATOM 0 HA ILE A 41 3.014 12.696 17.200 1.00 0.00 H new ATOM 0 HB ILE A 41 5.431 12.287 16.707 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.917 9.555 17.972 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.153 9.805 16.253 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.084 12.053 19.100 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.669 13.117 18.922 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.457 11.440 19.478 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.292 9.184 17.350 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.384 10.836 16.695 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.144 10.582 18.441 1.00 0.00 H new ATOM 532 N GLY A 42 2.046 11.653 14.958 1.00 0.00 N ATOM 533 CA GLY A 42 1.818 11.388 13.506 1.00 0.00 C ATOM 534 C GLY A 42 0.321 11.464 13.189 1.00 0.00 C ATOM 535 O GLY A 42 -0.342 12.431 13.508 1.00 0.00 O ATOM 0 H GLY A 42 1.244 12.031 15.462 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.363 12.116 12.905 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.205 10.404 13.242 1.00 0.00 H new ATOM 539 N GLY A 43 -0.214 10.453 12.555 1.00 0.00 N ATOM 540 CA GLY A 43 -1.666 10.466 12.208 1.00 0.00 C ATOM 541 C GLY A 43 -2.478 10.998 13.389 1.00 0.00 C ATOM 542 O GLY A 43 -2.016 11.021 14.512 1.00 0.00 O ATOM 0 H GLY A 43 0.293 9.618 12.262 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.833 11.090 11.330 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.997 9.459 11.952 1.00 0.00 H new ATOM 546 N HIS A 44 -3.688 11.425 13.144 1.00 0.00 N ATOM 547 CA HIS A 44 -4.530 11.953 14.255 1.00 0.00 C ATOM 548 C HIS A 44 -5.979 11.513 14.054 1.00 0.00 C ATOM 549 O HIS A 44 -6.655 11.130 14.987 1.00 0.00 O ATOM 550 CB HIS A 44 -4.462 13.482 14.265 1.00 0.00 C ATOM 551 CG HIS A 44 -5.429 14.019 15.286 1.00 0.00 C ATOM 552 ND1 HIS A 44 -5.087 14.168 16.621 1.00 0.00 N ATOM 553 CD2 HIS A 44 -6.730 14.443 15.182 1.00 0.00 C ATOM 554 CE1 HIS A 44 -6.162 14.663 17.261 1.00 0.00 C ATOM 555 NE2 HIS A 44 -7.190 14.849 16.432 1.00 0.00 N ATOM 0 H HIS A 44 -4.129 11.431 12.224 1.00 0.00 H new ATOM 0 HA HIS A 44 -4.160 11.564 15.204 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.449 13.810 14.499 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.704 13.874 13.277 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -4.185 13.943 17.041 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -7.309 14.459 14.270 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.189 14.883 18.318 1.00 0.00 H new ATOM 563 N SER A 45 -6.464 11.568 12.846 1.00 0.00 N ATOM 564 CA SER A 45 -7.872 11.155 12.594 1.00 0.00 C ATOM 565 C SER A 45 -8.022 10.719 11.136 1.00 0.00 C ATOM 566 O SER A 45 -7.906 9.555 10.811 1.00 0.00 O ATOM 567 CB SER A 45 -8.802 12.336 12.873 1.00 0.00 C ATOM 568 OG SER A 45 -8.466 13.413 12.009 1.00 0.00 O ATOM 0 H SER A 45 -5.948 11.880 12.024 1.00 0.00 H new ATOM 0 HA SER A 45 -8.132 10.323 13.249 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.840 12.041 12.718 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.711 12.647 13.914 1.00 0.00 H new ATOM 0 HG SER A 45 -9.062 14.171 12.184 1.00 0.00 H new ATOM 574 N LEU A 46 -8.281 11.646 10.258 1.00 0.00 N ATOM 575 CA LEU A 46 -8.439 11.288 8.822 1.00 0.00 C ATOM 576 C LEU A 46 -7.276 10.392 8.391 1.00 0.00 C ATOM 577 O LEU A 46 -7.443 9.477 7.608 1.00 0.00 O ATOM 578 CB LEU A 46 -8.447 12.574 7.982 1.00 0.00 C ATOM 579 CG LEU A 46 -9.852 13.210 7.947 1.00 0.00 C ATOM 580 CD1 LEU A 46 -10.538 12.865 6.625 1.00 0.00 C ATOM 581 CD2 LEU A 46 -10.721 12.701 9.110 1.00 0.00 C ATOM 0 H LEU A 46 -8.390 12.637 10.473 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.377 10.752 8.674 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.733 13.286 8.396 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.121 12.350 6.966 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.737 14.290 8.043 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.530 13.315 6.602 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.945 13.251 5.796 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.628 11.783 6.534 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.705 13.166 9.059 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.827 11.619 9.038 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.247 12.957 10.058 1.00 0.00 H new ATOM 593 N LYS A 47 -6.099 10.644 8.899 1.00 0.00 N ATOM 594 CA LYS A 47 -4.926 9.802 8.520 1.00 0.00 C ATOM 595 C LYS A 47 -5.188 8.348 8.924 1.00 0.00 C ATOM 596 O LYS A 47 -5.276 7.464 8.088 1.00 0.00 O ATOM 597 CB LYS A 47 -3.677 10.320 9.237 1.00 0.00 C ATOM 598 CG LYS A 47 -2.459 10.159 8.326 1.00 0.00 C ATOM 599 CD LYS A 47 -1.542 11.375 8.478 1.00 0.00 C ATOM 600 CE LYS A 47 -0.975 11.763 7.113 1.00 0.00 C ATOM 601 NZ LYS A 47 -1.189 13.219 6.882 1.00 0.00 N ATOM 0 H LYS A 47 -5.899 11.395 9.559 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.772 9.853 7.442 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.808 11.369 9.505 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.524 9.770 10.166 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.918 9.248 8.582 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.778 10.059 7.289 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.097 12.211 8.903 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.730 11.147 9.169 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.089 11.530 7.070 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.461 11.184 6.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.803 13.484 5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.207 13.428 6.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.706 13.763 7.625 1.00 0.00 H new ATOM 615 N ALA A 48 -5.324 8.084 10.196 1.00 0.00 N ATOM 616 CA ALA A 48 -5.590 6.682 10.616 1.00 0.00 C ATOM 617 C ALA A 48 -6.744 6.145 9.779 1.00 0.00 C ATOM 618 O ALA A 48 -6.667 5.064 9.228 1.00 0.00 O ATOM 619 CB ALA A 48 -5.957 6.627 12.096 1.00 0.00 C ATOM 0 H ALA A 48 -5.263 8.768 10.950 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.696 6.077 10.465 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.148 5.594 12.385 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.134 7.024 12.690 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.852 7.224 12.271 1.00 0.00 H new ATOM 625 N MET A 49 -7.809 6.900 9.645 1.00 0.00 N ATOM 626 CA MET A 49 -8.932 6.413 8.802 1.00 0.00 C ATOM 627 C MET A 49 -8.320 5.961 7.483 1.00 0.00 C ATOM 628 O MET A 49 -8.639 4.913 6.963 1.00 0.00 O ATOM 629 CB MET A 49 -9.952 7.537 8.548 1.00 0.00 C ATOM 630 CG MET A 49 -11.342 6.983 8.145 1.00 0.00 C ATOM 631 SD MET A 49 -11.259 5.231 7.648 1.00 0.00 S ATOM 632 CE MET A 49 -12.336 5.333 6.197 1.00 0.00 C ATOM 0 H MET A 49 -7.943 7.815 10.076 1.00 0.00 H new ATOM 0 HA MET A 49 -9.461 5.599 9.298 1.00 0.00 H new ATOM 0 HB2 MET A 49 -10.052 8.145 9.447 1.00 0.00 H new ATOM 0 HB3 MET A 49 -9.581 8.192 7.759 1.00 0.00 H new ATOM 0 HG2 MET A 49 -12.032 7.090 8.982 1.00 0.00 H new ATOM 0 HG3 MET A 49 -11.744 7.575 7.323 1.00 0.00 H new ATOM 0 HE1 MET A 49 -12.421 4.349 5.737 1.00 0.00 H new ATOM 0 HE2 MET A 49 -13.324 5.678 6.501 1.00 0.00 H new ATOM 0 HE3 MET A 49 -11.913 6.034 5.478 1.00 0.00 H new ATOM 642 N ALA A 50 -7.392 6.725 6.964 1.00 0.00 N ATOM 643 CA ALA A 50 -6.719 6.300 5.713 1.00 0.00 C ATOM 644 C ALA A 50 -6.250 4.871 5.948 1.00 0.00 C ATOM 645 O ALA A 50 -6.510 3.978 5.166 1.00 0.00 O ATOM 646 CB ALA A 50 -5.518 7.208 5.428 1.00 0.00 C ATOM 0 H ALA A 50 -7.078 7.614 7.352 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.391 6.363 4.857 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.030 6.888 4.507 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.858 8.238 5.319 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.810 7.145 6.254 1.00 0.00 H new ATOM 652 N VAL A 51 -5.595 4.644 7.057 1.00 0.00 N ATOM 653 CA VAL A 51 -5.152 3.262 7.383 1.00 0.00 C ATOM 654 C VAL A 51 -6.386 2.362 7.373 1.00 0.00 C ATOM 655 O VAL A 51 -6.445 1.370 6.670 1.00 0.00 O ATOM 656 CB VAL A 51 -4.521 3.243 8.775 1.00 0.00 C ATOM 657 CG1 VAL A 51 -3.838 1.895 9.011 1.00 0.00 C ATOM 658 CG2 VAL A 51 -3.493 4.373 8.883 1.00 0.00 C ATOM 0 H VAL A 51 -5.350 5.355 7.746 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.417 2.915 6.657 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.295 3.387 9.528 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.389 1.884 10.004 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.575 1.096 8.937 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.062 1.744 8.260 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.042 4.361 9.875 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.717 4.233 8.130 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.987 5.331 8.721 1.00 0.00 H new ATOM 668 N ALA A 52 -7.392 2.717 8.131 1.00 0.00 N ATOM 669 CA ALA A 52 -8.627 1.895 8.136 1.00 0.00 C ATOM 670 C ALA A 52 -9.006 1.634 6.681 1.00 0.00 C ATOM 671 O ALA A 52 -9.313 0.523 6.296 1.00 0.00 O ATOM 672 CB ALA A 52 -9.752 2.648 8.853 1.00 0.00 C ATOM 0 H ALA A 52 -7.407 3.535 8.740 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.465 0.954 8.662 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.656 2.038 8.853 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -9.454 2.855 9.881 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -9.948 3.587 8.336 1.00 0.00 H new ATOM 678 N ALA A 53 -8.942 2.648 5.857 1.00 0.00 N ATOM 679 CA ALA A 53 -9.248 2.451 4.418 1.00 0.00 C ATOM 680 C ALA A 53 -8.305 1.369 3.907 1.00 0.00 C ATOM 681 O ALA A 53 -8.706 0.444 3.228 1.00 0.00 O ATOM 682 CB ALA A 53 -9.009 3.752 3.648 1.00 0.00 C ATOM 0 H ALA A 53 -8.691 3.600 6.122 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.290 2.162 4.279 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.236 3.597 2.593 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.654 4.535 4.047 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.966 4.052 3.754 1.00 0.00 H new ATOM 688 N GLN A 54 -7.050 1.460 4.266 1.00 0.00 N ATOM 689 CA GLN A 54 -6.081 0.418 3.843 1.00 0.00 C ATOM 690 C GLN A 54 -6.716 -0.935 4.136 1.00 0.00 C ATOM 691 O GLN A 54 -6.623 -1.863 3.363 1.00 0.00 O ATOM 692 CB GLN A 54 -4.785 0.567 4.642 1.00 0.00 C ATOM 693 CG GLN A 54 -3.715 -0.344 4.043 1.00 0.00 C ATOM 694 CD GLN A 54 -3.228 0.241 2.716 1.00 0.00 C ATOM 695 OE1 GLN A 54 -2.720 1.443 2.693 1.00 0.00 O flip ATOM 696 NE2 GLN A 54 -3.310 -0.403 1.688 1.00 0.00 N flip ATOM 0 H GLN A 54 -6.659 2.212 4.833 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.845 0.512 2.783 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.449 1.604 4.622 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.956 0.308 5.687 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.880 -0.445 4.736 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.121 -1.343 3.885 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.707 -1.342 1.705 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.982 -0.004 0.809 1.00 0.00 H new ATOM 705 N VAL A 55 -7.381 -1.034 5.254 1.00 0.00 N ATOM 706 CA VAL A 55 -8.052 -2.311 5.622 1.00 0.00 C ATOM 707 C VAL A 55 -9.169 -2.615 4.617 1.00 0.00 C ATOM 708 O VAL A 55 -9.464 -3.757 4.327 1.00 0.00 O ATOM 709 CB VAL A 55 -8.656 -2.182 7.022 1.00 0.00 C ATOM 710 CG1 VAL A 55 -8.942 -3.574 7.578 1.00 0.00 C ATOM 711 CG2 VAL A 55 -7.675 -1.456 7.949 1.00 0.00 C ATOM 0 H VAL A 55 -7.489 -0.280 5.932 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.321 -3.119 5.609 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.582 -1.611 6.963 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.372 -3.486 8.576 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.645 -4.090 6.924 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.013 -4.142 7.632 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.112 -1.368 8.944 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.745 -2.022 8.010 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.469 -0.461 7.554 1.00 0.00 H new ATOM 721 N HIS A 56 -9.797 -1.605 4.084 1.00 0.00 N ATOM 722 CA HIS A 56 -10.892 -1.848 3.102 1.00 0.00 C ATOM 723 C HIS A 56 -10.278 -2.096 1.721 1.00 0.00 C ATOM 724 O HIS A 56 -10.789 -2.869 0.935 1.00 0.00 O ATOM 725 CB HIS A 56 -11.816 -0.625 3.052 1.00 0.00 C ATOM 726 CG HIS A 56 -13.069 -0.972 2.292 1.00 0.00 C ATOM 727 ND1 HIS A 56 -14.310 -1.051 2.907 1.00 0.00 N ATOM 728 CD2 HIS A 56 -13.288 -1.264 0.968 1.00 0.00 C ATOM 729 CE1 HIS A 56 -15.211 -1.377 1.961 1.00 0.00 C ATOM 730 NE2 HIS A 56 -14.642 -1.518 0.762 1.00 0.00 N ATOM 0 H HIS A 56 -9.601 -0.624 4.284 1.00 0.00 H new ATOM 0 HA HIS A 56 -11.474 -2.719 3.403 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -12.068 -0.305 4.063 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -11.306 0.210 2.571 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -12.526 -1.292 0.203 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -16.266 -1.508 2.150 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -15.100 -1.760 -0.117 1.00 0.00 H new ATOM 738 N ARG A 57 -9.176 -1.461 1.422 1.00 0.00 N ATOM 739 CA ARG A 57 -8.528 -1.683 0.099 1.00 0.00 C ATOM 740 C ARG A 57 -7.758 -3.003 0.149 1.00 0.00 C ATOM 741 O ARG A 57 -7.756 -3.773 -0.791 1.00 0.00 O ATOM 742 CB ARG A 57 -7.562 -0.537 -0.202 1.00 0.00 C ATOM 743 CG ARG A 57 -7.472 -0.328 -1.715 1.00 0.00 C ATOM 744 CD ARG A 57 -6.040 0.058 -2.092 1.00 0.00 C ATOM 745 NE ARG A 57 -5.618 -0.708 -3.298 1.00 0.00 N ATOM 746 CZ ARG A 57 -4.670 -1.602 -3.206 1.00 0.00 C ATOM 747 NH1 ARG A 57 -4.866 -2.693 -2.517 1.00 0.00 N ATOM 748 NH2 ARG A 57 -3.526 -1.404 -3.802 1.00 0.00 N ATOM 0 H ARG A 57 -8.699 -0.800 2.035 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.286 -1.721 -0.684 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.904 0.378 0.282 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.576 -0.763 0.204 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.764 -1.239 -2.237 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.165 0.454 -2.027 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.981 1.128 -2.289 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.366 -0.151 -1.262 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.070 -0.534 -4.196 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.760 -2.848 -2.050 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.126 -3.391 -2.445 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.372 -0.551 -4.340 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.786 -2.102 -3.730 1.00 0.00 H new ATOM 762 N GLU A 58 -7.111 -3.271 1.251 1.00 0.00 N ATOM 763 CA GLU A 58 -6.350 -4.543 1.381 1.00 0.00 C ATOM 764 C GLU A 58 -7.336 -5.683 1.615 1.00 0.00 C ATOM 765 O GLU A 58 -7.218 -6.750 1.046 1.00 0.00 O ATOM 766 CB GLU A 58 -5.395 -4.455 2.574 1.00 0.00 C ATOM 767 CG GLU A 58 -4.000 -4.093 2.077 1.00 0.00 C ATOM 768 CD GLU A 58 -3.263 -5.369 1.657 1.00 0.00 C ATOM 769 OE1 GLU A 58 -3.881 -6.195 1.006 1.00 0.00 O ATOM 770 OE2 GLU A 58 -2.098 -5.500 1.995 1.00 0.00 O ATOM 0 H GLU A 58 -7.078 -2.661 2.068 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.776 -4.720 0.472 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.747 -3.705 3.282 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.369 -5.407 3.105 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.069 -3.406 1.234 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.444 -3.580 2.862 1.00 0.00 H new ATOM 777 N TYR A 59 -8.311 -5.461 2.449 1.00 0.00 N ATOM 778 CA TYR A 59 -9.310 -6.524 2.724 1.00 0.00 C ATOM 779 C TYR A 59 -10.718 -5.983 2.488 1.00 0.00 C ATOM 780 O TYR A 59 -10.933 -4.795 2.356 1.00 0.00 O ATOM 781 CB TYR A 59 -9.209 -6.968 4.185 1.00 0.00 C ATOM 782 CG TYR A 59 -7.777 -6.902 4.663 1.00 0.00 C ATOM 783 CD1 TYR A 59 -7.174 -5.665 4.919 1.00 0.00 C ATOM 784 CD2 TYR A 59 -7.062 -8.085 4.874 1.00 0.00 C ATOM 785 CE1 TYR A 59 -5.855 -5.611 5.381 1.00 0.00 C ATOM 786 CE2 TYR A 59 -5.744 -8.033 5.338 1.00 0.00 C ATOM 787 CZ TYR A 59 -5.139 -6.796 5.592 1.00 0.00 C ATOM 788 OH TYR A 59 -3.838 -6.744 6.050 1.00 0.00 O ATOM 0 H TYR A 59 -8.458 -4.586 2.953 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.112 -7.366 2.061 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.836 -6.331 4.809 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -9.586 -7.985 4.288 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.728 -4.752 4.760 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.528 -9.039 4.678 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.389 -4.656 5.575 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.192 -8.947 5.501 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.487 -7.654 6.143 1.00 0.00 H new ATOM 798 N GLN A 60 -11.682 -6.857 2.480 1.00 0.00 N ATOM 799 CA GLN A 60 -13.092 -6.429 2.306 1.00 0.00 C ATOM 800 C GLN A 60 -13.740 -6.487 3.683 1.00 0.00 C ATOM 801 O GLN A 60 -14.907 -6.788 3.839 1.00 0.00 O ATOM 802 CB GLN A 60 -13.816 -7.373 1.342 1.00 0.00 C ATOM 803 CG GLN A 60 -13.309 -8.800 1.550 1.00 0.00 C ATOM 804 CD GLN A 60 -14.170 -9.771 0.740 1.00 0.00 C ATOM 805 OE1 GLN A 60 -15.383 -9.694 0.767 1.00 0.00 O ATOM 806 NE2 GLN A 60 -13.592 -10.688 0.015 1.00 0.00 N ATOM 0 H GLN A 60 -11.550 -7.863 2.588 1.00 0.00 H new ATOM 0 HA GLN A 60 -13.147 -5.424 1.888 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -14.892 -7.329 1.512 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -13.644 -7.061 0.312 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.267 -8.876 1.240 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -13.346 -9.060 2.608 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -12.574 -10.753 -0.008 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -14.158 -11.340 -0.529 1.00 0.00 H new ATOM 815 N VAL A 61 -12.957 -6.205 4.684 1.00 0.00 N ATOM 816 CA VAL A 61 -13.455 -6.236 6.083 1.00 0.00 C ATOM 817 C VAL A 61 -13.915 -4.832 6.473 1.00 0.00 C ATOM 818 O VAL A 61 -13.161 -3.881 6.415 1.00 0.00 O ATOM 819 CB VAL A 61 -12.311 -6.694 6.994 1.00 0.00 C ATOM 820 CG1 VAL A 61 -11.093 -5.788 6.793 1.00 0.00 C ATOM 821 CG2 VAL A 61 -12.750 -6.630 8.456 1.00 0.00 C ATOM 0 H VAL A 61 -11.974 -5.950 4.588 1.00 0.00 H new ATOM 0 HA VAL A 61 -14.294 -6.925 6.182 1.00 0.00 H new ATOM 0 HB VAL A 61 -12.048 -7.721 6.739 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -10.283 -6.118 7.443 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -10.768 -5.840 5.754 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -11.360 -4.760 7.039 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -11.931 -6.957 9.096 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -13.022 -5.605 8.710 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -13.611 -7.282 8.606 1.00 0.00 H new ATOM 831 N GLU A 62 -15.158 -4.691 6.848 1.00 0.00 N ATOM 832 CA GLU A 62 -15.675 -3.344 7.214 1.00 0.00 C ATOM 833 C GLU A 62 -15.034 -2.866 8.517 1.00 0.00 C ATOM 834 O GLU A 62 -15.449 -3.231 9.598 1.00 0.00 O ATOM 835 CB GLU A 62 -17.194 -3.406 7.387 1.00 0.00 C ATOM 836 CG GLU A 62 -17.795 -2.038 7.057 1.00 0.00 C ATOM 837 CD GLU A 62 -19.306 -2.071 7.297 1.00 0.00 C ATOM 838 OE1 GLU A 62 -19.894 -3.123 7.110 1.00 0.00 O ATOM 839 OE2 GLU A 62 -19.850 -1.042 7.665 1.00 0.00 O ATOM 0 H GLU A 62 -15.836 -5.450 6.916 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.425 -2.643 6.417 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -17.616 -4.169 6.733 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.444 -3.689 8.409 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.335 -1.268 7.676 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.587 -1.779 6.019 1.00 0.00 H new ATOM 846 N LEU A 63 -14.035 -2.034 8.414 1.00 0.00 N ATOM 847 CA LEU A 63 -13.372 -1.504 9.634 1.00 0.00 C ATOM 848 C LEU A 63 -13.902 -0.087 9.886 1.00 0.00 C ATOM 849 O LEU A 63 -13.614 0.817 9.127 1.00 0.00 O ATOM 850 CB LEU A 63 -11.860 -1.456 9.412 1.00 0.00 C ATOM 851 CG LEU A 63 -11.144 -1.495 10.762 1.00 0.00 C ATOM 852 CD1 LEU A 63 -11.188 -2.915 11.326 1.00 0.00 C ATOM 853 CD2 LEU A 63 -9.688 -1.070 10.578 1.00 0.00 C ATOM 0 H LEU A 63 -13.649 -1.698 7.532 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.583 -2.144 10.491 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.545 -2.299 8.797 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.590 -0.549 8.871 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.640 -0.814 11.453 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.677 -2.940 12.288 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -12.225 -3.222 11.458 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.693 -3.597 10.634 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.177 -1.097 11.540 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.195 -1.752 9.885 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.653 -0.057 10.177 1.00 0.00 H new ATOM 865 N PRO A 64 -14.678 0.064 10.930 1.00 0.00 N ATOM 866 CA PRO A 64 -15.282 1.360 11.280 1.00 0.00 C ATOM 867 C PRO A 64 -14.262 2.262 11.975 1.00 0.00 C ATOM 868 O PRO A 64 -13.316 1.798 12.581 1.00 0.00 O ATOM 869 CB PRO A 64 -16.417 0.983 12.234 1.00 0.00 C ATOM 870 CG PRO A 64 -16.056 -0.405 12.815 1.00 0.00 C ATOM 871 CD PRO A 64 -15.024 -1.031 11.858 1.00 0.00 C ATOM 0 HA PRO A 64 -15.630 1.916 10.409 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.518 1.722 13.029 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.371 0.948 11.708 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.644 -0.309 13.819 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.943 -1.034 12.893 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.147 -1.388 12.397 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -15.441 -1.886 11.327 1.00 0.00 H new ATOM 879 N LEU A 65 -14.453 3.549 11.893 1.00 0.00 N ATOM 880 CA LEU A 65 -13.506 4.487 12.551 1.00 0.00 C ATOM 881 C LEU A 65 -13.561 4.263 14.064 1.00 0.00 C ATOM 882 O LEU A 65 -12.549 4.245 14.737 1.00 0.00 O ATOM 883 CB LEU A 65 -13.915 5.930 12.232 1.00 0.00 C ATOM 884 CG LEU A 65 -13.210 6.425 10.961 1.00 0.00 C ATOM 885 CD1 LEU A 65 -11.769 6.825 11.283 1.00 0.00 C ATOM 886 CD2 LEU A 65 -13.197 5.326 9.896 1.00 0.00 C ATOM 0 H LEU A 65 -15.227 3.991 11.397 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.494 4.311 12.187 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.996 5.986 12.100 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.662 6.579 13.070 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.755 7.289 10.581 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.277 7.175 10.375 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.770 7.623 12.026 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.232 5.963 11.678 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.694 5.692 9.001 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.667 4.454 10.279 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -14.221 5.048 9.648 1.00 0.00 H new ATOM 898 N LYS A 66 -14.740 4.087 14.605 1.00 0.00 N ATOM 899 CA LYS A 66 -14.859 3.861 16.072 1.00 0.00 C ATOM 900 C LYS A 66 -14.016 2.649 16.466 1.00 0.00 C ATOM 901 O LYS A 66 -13.449 2.598 17.538 1.00 0.00 O ATOM 902 CB LYS A 66 -16.328 3.621 16.445 1.00 0.00 C ATOM 903 CG LYS A 66 -16.914 2.514 15.564 1.00 0.00 C ATOM 904 CD LYS A 66 -17.924 3.117 14.585 1.00 0.00 C ATOM 905 CE LYS A 66 -19.012 3.862 15.360 1.00 0.00 C ATOM 906 NZ LYS A 66 -18.899 5.324 15.095 1.00 0.00 N ATOM 0 H LYS A 66 -15.622 4.090 14.093 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.500 4.741 16.606 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.405 3.341 17.496 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.900 4.540 16.318 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.117 2.011 15.016 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -17.399 1.760 16.184 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -17.419 3.799 13.901 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.371 2.330 13.978 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.997 3.503 15.061 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.912 3.666 16.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -19.103 5.852 15.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -17.935 5.545 14.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -19.581 5.597 14.358 1.00 0.00 H new ATOM 920 N VAL A 67 -13.900 1.681 15.595 1.00 0.00 N ATOM 921 CA VAL A 67 -13.061 0.499 15.919 1.00 0.00 C ATOM 922 C VAL A 67 -11.609 0.959 15.877 1.00 0.00 C ATOM 923 O VAL A 67 -10.787 0.546 16.671 1.00 0.00 O ATOM 924 CB VAL A 67 -13.319 -0.611 14.890 1.00 0.00 C ATOM 925 CG1 VAL A 67 -12.071 -1.478 14.698 1.00 0.00 C ATOM 926 CG2 VAL A 67 -14.467 -1.492 15.387 1.00 0.00 C ATOM 0 H VAL A 67 -14.349 1.661 14.679 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.298 0.096 16.904 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.574 -0.151 13.935 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.279 -2.257 13.965 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.248 -0.857 14.345 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.798 -1.937 15.648 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -14.658 -2.284 14.663 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.197 -1.935 16.346 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -15.365 -0.886 15.507 1.00 0.00 H new ATOM 936 N LEU A 68 -11.302 1.843 14.971 1.00 0.00 N ATOM 937 CA LEU A 68 -9.918 2.365 14.896 1.00 0.00 C ATOM 938 C LEU A 68 -9.660 3.179 16.163 1.00 0.00 C ATOM 939 O LEU A 68 -8.545 3.322 16.602 1.00 0.00 O ATOM 940 CB LEU A 68 -9.759 3.253 13.655 1.00 0.00 C ATOM 941 CG LEU A 68 -8.285 3.286 13.240 1.00 0.00 C ATOM 942 CD1 LEU A 68 -8.086 2.451 11.977 1.00 0.00 C ATOM 943 CD2 LEU A 68 -7.861 4.729 12.957 1.00 0.00 C ATOM 0 H LEU A 68 -11.951 2.224 14.282 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.203 1.546 14.819 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.370 2.869 12.838 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -10.111 4.262 13.869 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.679 2.877 14.049 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.036 2.477 11.685 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.383 1.420 12.172 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.697 2.859 11.171 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.812 4.749 12.662 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.472 5.136 12.152 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.997 5.331 13.856 1.00 0.00 H new ATOM 955 N PHE A 69 -10.700 3.696 16.767 1.00 0.00 N ATOM 956 CA PHE A 69 -10.519 4.482 18.022 1.00 0.00 C ATOM 957 C PHE A 69 -10.546 3.524 19.219 1.00 0.00 C ATOM 958 O PHE A 69 -9.830 3.698 20.187 1.00 0.00 O ATOM 959 CB PHE A 69 -11.636 5.517 18.157 1.00 0.00 C ATOM 960 CG PHE A 69 -11.286 6.743 17.344 1.00 0.00 C ATOM 961 CD1 PHE A 69 -11.087 6.636 15.963 1.00 0.00 C ATOM 962 CD2 PHE A 69 -11.155 7.987 17.975 1.00 0.00 C ATOM 963 CE1 PHE A 69 -10.760 7.771 15.211 1.00 0.00 C ATOM 964 CE2 PHE A 69 -10.829 9.122 17.224 1.00 0.00 C ATOM 965 CZ PHE A 69 -10.631 9.014 15.841 1.00 0.00 C ATOM 0 H PHE A 69 -11.664 3.607 16.445 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.563 5.004 17.992 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -12.580 5.096 17.812 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -11.771 5.788 19.204 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.186 5.677 15.477 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -11.306 8.070 19.041 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -10.607 7.687 14.145 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.730 10.081 17.710 1.00 0.00 H new ATOM 0 HZ PHE A 69 -10.379 9.890 15.261 1.00 0.00 H new ATOM 975 N ALA A 70 -11.359 2.500 19.151 1.00 0.00 N ATOM 976 CA ALA A 70 -11.425 1.513 20.270 1.00 0.00 C ATOM 977 C ALA A 70 -10.109 0.749 20.320 1.00 0.00 C ATOM 978 O ALA A 70 -9.603 0.404 21.369 1.00 0.00 O ATOM 979 CB ALA A 70 -12.550 0.508 20.002 1.00 0.00 C ATOM 0 H ALA A 70 -11.981 2.305 18.367 1.00 0.00 H new ATOM 0 HA ALA A 70 -11.609 2.036 21.208 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.597 -0.212 20.819 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -13.500 1.037 19.929 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -12.354 -0.017 19.067 1.00 0.00 H new ATOM 985 N GLN A 71 -9.573 0.471 19.173 1.00 0.00 N ATOM 986 CA GLN A 71 -8.300 -0.290 19.082 1.00 0.00 C ATOM 987 C GLN A 71 -7.456 0.386 18.000 1.00 0.00 C ATOM 988 O GLN A 71 -7.263 -0.151 16.927 1.00 0.00 O ATOM 989 CB GLN A 71 -8.602 -1.756 18.704 1.00 0.00 C ATOM 990 CG GLN A 71 -10.123 -1.955 18.542 1.00 0.00 C ATOM 991 CD GLN A 71 -10.501 -3.415 18.780 1.00 0.00 C ATOM 992 OE1 GLN A 71 -9.690 -4.307 18.626 1.00 0.00 O ATOM 993 NE2 GLN A 71 -11.720 -3.690 19.157 1.00 0.00 N ATOM 0 H GLN A 71 -9.970 0.744 18.274 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.766 -0.295 20.032 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.092 -2.014 17.776 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.219 -2.425 19.474 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.656 -1.316 19.246 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.430 -1.652 17.541 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.396 -2.937 19.285 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.996 -4.658 19.324 1.00 0.00 H new ATOM 1002 N PRO A 72 -7.022 1.584 18.314 1.00 0.00 N ATOM 1003 CA PRO A 72 -6.242 2.431 17.391 1.00 0.00 C ATOM 1004 C PRO A 72 -4.771 2.021 17.298 1.00 0.00 C ATOM 1005 O PRO A 72 -3.900 2.850 17.477 1.00 0.00 O ATOM 1006 CB PRO A 72 -6.341 3.829 18.026 1.00 0.00 C ATOM 1007 CG PRO A 72 -6.672 3.614 19.519 1.00 0.00 C ATOM 1008 CD PRO A 72 -7.274 2.204 19.635 1.00 0.00 C ATOM 0 HA PRO A 72 -6.626 2.362 16.373 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.404 4.374 17.912 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.115 4.422 17.539 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.775 3.704 20.132 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.377 4.367 19.872 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.802 1.636 20.437 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.340 2.245 19.858 1.00 0.00 H new ATOM 1016 N THR A 73 -4.447 0.785 17.024 1.00 0.00 N ATOM 1017 CA THR A 73 -2.995 0.476 16.946 1.00 0.00 C ATOM 1018 C THR A 73 -2.660 -0.733 16.064 1.00 0.00 C ATOM 1019 O THR A 73 -3.507 -1.484 15.643 1.00 0.00 O ATOM 1020 CB THR A 73 -2.473 0.247 18.344 1.00 0.00 C ATOM 1021 OG1 THR A 73 -1.071 0.139 18.283 1.00 0.00 O ATOM 1022 CG2 THR A 73 -3.064 -1.033 18.903 1.00 0.00 C ATOM 0 H THR A 73 -5.091 0.011 16.858 1.00 0.00 H new ATOM 0 HA THR A 73 -2.513 1.332 16.474 1.00 0.00 H new ATOM 0 HB THR A 73 -2.754 1.077 18.992 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.720 0.794 17.645 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.687 -1.198 19.912 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.151 -0.950 18.931 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.780 -1.872 18.268 1.00 0.00 H new ATOM 1030 N ILE A 74 -1.387 -0.903 15.797 1.00 0.00 N ATOM 1031 CA ILE A 74 -0.903 -2.029 14.945 1.00 0.00 C ATOM 1032 C ILE A 74 -1.463 -3.364 15.431 1.00 0.00 C ATOM 1033 O ILE A 74 -2.197 -4.033 14.731 1.00 0.00 O ATOM 1034 CB ILE A 74 0.630 -2.077 15.010 1.00 0.00 C ATOM 1035 CG1 ILE A 74 1.211 -0.968 14.131 1.00 0.00 C ATOM 1036 CG2 ILE A 74 1.140 -3.436 14.515 1.00 0.00 C ATOM 1037 CD1 ILE A 74 1.016 -1.324 12.655 1.00 0.00 C ATOM 0 H ILE A 74 -0.648 -0.292 16.144 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.241 -1.863 13.922 1.00 0.00 H new ATOM 0 HB ILE A 74 0.945 -1.934 16.044 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.722 -0.020 14.354 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.271 -0.838 14.347 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.229 -3.457 14.566 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.732 -4.228 15.143 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.822 -3.590 13.484 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.431 -0.532 12.032 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.526 -2.262 12.437 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.048 -1.432 12.444 1.00 0.00 H new ATOM 1049 N LYS A 75 -1.100 -3.776 16.611 1.00 0.00 N ATOM 1050 CA LYS A 75 -1.589 -5.084 17.116 1.00 0.00 C ATOM 1051 C LYS A 75 -3.111 -5.118 17.067 1.00 0.00 C ATOM 1052 O LYS A 75 -3.708 -5.782 16.250 1.00 0.00 O ATOM 1053 CB LYS A 75 -1.118 -5.281 18.558 1.00 0.00 C ATOM 1054 CG LYS A 75 -0.087 -6.411 18.613 1.00 0.00 C ATOM 1055 CD LYS A 75 -0.766 -7.698 19.090 1.00 0.00 C ATOM 1056 CE LYS A 75 0.046 -8.313 20.233 1.00 0.00 C ATOM 1057 NZ LYS A 75 0.020 -7.398 21.408 1.00 0.00 N ATOM 0 H LYS A 75 -0.487 -3.264 17.246 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.192 -5.884 16.491 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.681 -4.358 18.937 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.967 -5.518 19.199 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.354 -6.563 17.628 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.726 -6.144 19.289 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.781 -7.483 19.426 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.846 -8.406 18.265 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.367 -9.284 20.505 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.074 -8.482 19.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.111 -7.953 22.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.810 -6.725 21.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.879 -6.876 21.421 1.00 0.00 H new ATOM 1071 N ALA A 76 -3.741 -4.408 17.944 1.00 0.00 N ATOM 1072 CA ALA A 76 -5.225 -4.403 17.971 1.00 0.00 C ATOM 1073 C ALA A 76 -5.790 -4.180 16.565 1.00 0.00 C ATOM 1074 O ALA A 76 -6.481 -5.019 16.035 1.00 0.00 O ATOM 1075 CB ALA A 76 -5.689 -3.284 18.895 1.00 0.00 C ATOM 0 H ALA A 76 -3.293 -3.825 18.651 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.584 -5.366 18.333 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.778 -3.266 18.926 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.300 -3.456 19.899 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.321 -2.328 18.522 1.00 0.00 H new ATOM 1081 N LEU A 77 -5.516 -3.057 15.961 1.00 0.00 N ATOM 1082 CA LEU A 77 -6.062 -2.801 14.592 1.00 0.00 C ATOM 1083 C LEU A 77 -5.715 -3.976 13.674 1.00 0.00 C ATOM 1084 O LEU A 77 -6.585 -4.687 13.206 1.00 0.00 O ATOM 1085 CB LEU A 77 -5.457 -1.503 14.034 1.00 0.00 C ATOM 1086 CG LEU A 77 -6.409 -0.863 13.022 1.00 0.00 C ATOM 1087 CD1 LEU A 77 -6.602 -1.792 11.832 1.00 0.00 C ATOM 1088 CD2 LEU A 77 -7.753 -0.595 13.691 1.00 0.00 C ATOM 0 H LEU A 77 -4.942 -2.309 16.350 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.146 -2.697 14.644 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.260 -0.806 14.849 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.500 -1.716 13.558 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.984 0.077 12.671 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.281 -1.329 11.116 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.640 -1.975 11.354 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.024 -2.738 12.173 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.433 -0.139 12.972 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.177 -1.535 14.046 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.611 0.080 14.535 1.00 0.00 H new ATOM 1100 N ALA A 78 -4.455 -4.194 13.414 1.00 0.00 N ATOM 1101 CA ALA A 78 -4.068 -5.332 12.529 1.00 0.00 C ATOM 1102 C ALA A 78 -4.839 -6.582 12.953 1.00 0.00 C ATOM 1103 O ALA A 78 -5.350 -7.318 12.132 1.00 0.00 O ATOM 1104 CB ALA A 78 -2.564 -5.590 12.651 1.00 0.00 C ATOM 0 H ALA A 78 -3.679 -3.637 13.773 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.306 -5.088 11.494 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.284 -6.421 12.004 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.016 -4.697 12.352 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.320 -5.836 13.684 1.00 0.00 H new ATOM 1110 N GLN A 79 -4.938 -6.820 14.231 1.00 0.00 N ATOM 1111 CA GLN A 79 -5.684 -8.013 14.713 1.00 0.00 C ATOM 1112 C GLN A 79 -7.164 -7.845 14.363 1.00 0.00 C ATOM 1113 O GLN A 79 -7.774 -8.705 13.763 1.00 0.00 O ATOM 1114 CB GLN A 79 -5.535 -8.121 16.230 1.00 0.00 C ATOM 1115 CG GLN A 79 -4.086 -8.458 16.596 1.00 0.00 C ATOM 1116 CD GLN A 79 -3.760 -9.893 16.173 1.00 0.00 C ATOM 1117 OE1 GLN A 79 -4.427 -10.458 15.330 1.00 0.00 O ATOM 1118 NE2 GLN A 79 -2.752 -10.508 16.727 1.00 0.00 N ATOM 0 H GLN A 79 -4.533 -6.237 14.964 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.290 -8.914 14.242 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.827 -7.182 16.699 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.204 -8.891 16.615 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.407 -7.762 16.104 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -3.937 -8.344 17.670 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.192 -10.033 17.435 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.524 -11.463 16.452 1.00 0.00 H new ATOM 1127 N TYR A 80 -7.739 -6.734 14.733 1.00 0.00 N ATOM 1128 CA TYR A 80 -9.175 -6.492 14.426 1.00 0.00 C ATOM 1129 C TYR A 80 -9.456 -6.935 12.994 1.00 0.00 C ATOM 1130 O TYR A 80 -10.459 -7.556 12.705 1.00 0.00 O ATOM 1131 CB TYR A 80 -9.488 -5.002 14.572 1.00 0.00 C ATOM 1132 CG TYR A 80 -10.984 -4.812 14.639 1.00 0.00 C ATOM 1133 CD1 TYR A 80 -11.749 -4.863 13.467 1.00 0.00 C ATOM 1134 CD2 TYR A 80 -11.607 -4.588 15.873 1.00 0.00 C ATOM 1135 CE1 TYR A 80 -13.137 -4.690 13.528 1.00 0.00 C ATOM 1136 CE2 TYR A 80 -12.996 -4.414 15.933 1.00 0.00 C ATOM 1137 CZ TYR A 80 -13.760 -4.465 14.760 1.00 0.00 C ATOM 1138 OH TYR A 80 -15.128 -4.294 14.817 1.00 0.00 O ATOM 0 H TYR A 80 -7.273 -5.980 15.237 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.800 -7.057 15.117 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -9.019 -4.606 15.473 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -9.077 -4.448 13.728 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -11.268 -5.036 12.516 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -11.018 -4.549 16.777 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -13.727 -4.730 12.624 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -13.478 -4.241 16.884 1.00 0.00 H new ATOM 0 HH TYR A 80 -15.401 -4.149 15.747 1.00 0.00 H new ATOM 1148 N VAL A 81 -8.561 -6.629 12.100 1.00 0.00 N ATOM 1149 CA VAL A 81 -8.746 -7.037 10.680 1.00 0.00 C ATOM 1150 C VAL A 81 -8.478 -8.524 10.555 1.00 0.00 C ATOM 1151 O VAL A 81 -9.311 -9.301 10.131 1.00 0.00 O ATOM 1152 CB VAL A 81 -7.723 -6.309 9.815 1.00 0.00 C ATOM 1153 CG1 VAL A 81 -8.051 -6.540 8.340 1.00 0.00 C ATOM 1154 CG2 VAL A 81 -7.751 -4.821 10.144 1.00 0.00 C ATOM 0 H VAL A 81 -7.704 -6.111 12.292 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.761 -6.798 10.363 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.723 -6.694 10.016 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.321 -6.020 7.719 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.018 -7.608 8.123 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.048 -6.157 8.125 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.020 -4.298 9.527 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.746 -4.423 9.944 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.507 -4.676 11.196 1.00 0.00 H new ATOM 1164 N ALA A 82 -7.295 -8.905 10.915 1.00 0.00 N ATOM 1165 CA ALA A 82 -6.881 -10.319 10.830 1.00 0.00 C ATOM 1166 C ALA A 82 -7.809 -11.194 11.671 1.00 0.00 C ATOM 1167 O ALA A 82 -8.626 -11.928 11.152 1.00 0.00 O ATOM 1168 CB ALA A 82 -5.459 -10.402 11.364 1.00 0.00 C ATOM 0 H ALA A 82 -6.578 -8.276 11.275 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.931 -10.674 9.801 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.113 -11.435 11.319 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.806 -9.774 10.759 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.438 -10.057 12.398 1.00 0.00 H new ATOM 1174 N THR A 83 -7.686 -11.127 12.965 1.00 0.00 N ATOM 1175 CA THR A 83 -8.555 -11.957 13.840 1.00 0.00 C ATOM 1176 C THR A 83 -9.864 -11.213 14.112 1.00 0.00 C ATOM 1177 O THR A 83 -10.575 -11.617 15.017 1.00 0.00 O ATOM 1178 CB THR A 83 -7.834 -12.227 15.163 1.00 0.00 C ATOM 1179 OG1 THR A 83 -6.434 -12.300 14.932 1.00 0.00 O ATOM 1180 CG2 THR A 83 -8.326 -13.550 15.748 1.00 0.00 C ATOM 0 H THR A 83 -7.019 -10.531 13.456 1.00 0.00 H new ATOM 0 HA THR A 83 -8.773 -12.904 13.346 1.00 0.00 H new ATOM 0 HB THR A 83 -8.044 -11.420 15.865 1.00 0.00 H new ATOM 0 HG1 THR A 83 -6.016 -11.451 15.187 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.814 -13.744 16.690 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.400 -13.493 15.924 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.116 -14.358 15.047 1.00 0.00 H new TER 1188 THR A 83