USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 682 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 54 GLN : amide:sc= -6.58 K(o=-8.3,f=-21!) USER MOD Set 1.2: A 56 HIS :FLIP no HE2:sc= -1.7 F(o=-8.9!,f=-8.3) USER MOD Set 2.1: A 24 THR OG1 : rot -140:sc= 0.00459 USER MOD Set 2.2: A 47 GLN : amide:sc= -0.802 K(o=-0.8,f=-5.4!) USER MOD Set 3.1: A 23 CYS SG : rot -44:sc= -0.283 USER MOD Set 3.2: A 26 THR OG1 : rot 180:sc=-0.00516 USER MOD Set 4.1: A 14 LYS NZ :NH3+ -135:sc= -4.01! (180deg=-5.36!) USER MOD Set 4.2: A 77 LYS NZ :NH3+ 164:sc= -0.411 (180deg=-1.12!) USER MOD Single : A 1 GLY N :NH3+ 168:sc=-0.00447 (180deg=-0.139) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN :FLIP amide:sc= -2.5! C(o=-4.5!,f=-2.5!) USER MOD Single : A 12 LYS NZ :NH3+ 179:sc= -1.74 (180deg=-1.78) USER MOD Single : A 13 MET CE :methyl -119:sc= -0.362 (180deg=-4.44!) USER MOD Single : A 18 MET CE :methyl 163:sc= -2.77 (180deg=-4.18!) USER MOD Single : A 19 THR OG1 : rot -49:sc= 0.937 USER MOD Single : A 20 CYS SG : rot 180:sc= -2.72! USER MOD Single : A 21 HIS : no HD1:sc= -0.666 K(o=-0.67,f=-2.4) USER MOD Single : A 22 SER OG : rot -44:sc= 1.24 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.49 X(o=-0.49,f=-0.05) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.104 F(o=-0.8,f=-0.1) USER MOD Single : A 41 LYS NZ :NH3+ -160:sc= -0.0775 (180deg=-0.445) USER MOD Single : A 43 SER OG : rot 180:sc=-0.00318 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.203 F(o=-2,f=-0.2) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -170:sc= -0.349 (180deg=-0.549) USER MOD Single : A 64 LYS NZ :NH3+ 166:sc= -1.48 (180deg=-2.06) USER MOD Single : A 65 LYS NZ :NH3+ 129:sc= -0.127 (180deg=-0.711) USER MOD Single : A 66 GLN :FLIP amide:sc= -1 F(o=-2.8,f=-1) USER MOD Single : A 70 MET CE :methyl -139:sc= -3.06 (180deg=-6.53!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -2.62! C(o=-2.6!,f=-2.6!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 150:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -146:sc= -1.27 (180deg=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.568 -23.714 -17.203 1.00 0.00 N ATOM 2 CA GLY A 1 4.745 -24.624 -16.359 1.00 0.00 C ATOM 3 C GLY A 1 5.641 -25.414 -15.401 1.00 0.00 C ATOM 4 O GLY A 1 5.444 -26.597 -15.199 1.00 0.00 O ATOM 0 H1 GLY A 1 4.985 -23.338 -17.978 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.921 -22.927 -16.622 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.373 -24.241 -17.599 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.016 -24.045 -15.792 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.184 -25.311 -16.993 1.00 0.00 H new ATOM 10 N SER A 2 6.604 -24.724 -14.841 1.00 0.00 N ATOM 11 CA SER A 2 7.561 -25.355 -13.881 1.00 0.00 C ATOM 12 C SER A 2 8.189 -24.242 -13.031 1.00 0.00 C ATOM 13 O SER A 2 7.984 -24.190 -11.833 1.00 0.00 O ATOM 14 CB SER A 2 8.644 -26.111 -14.684 1.00 0.00 C ATOM 15 OG SER A 2 9.488 -26.684 -13.694 1.00 0.00 O ATOM 0 H SER A 2 6.770 -23.732 -15.012 1.00 0.00 H new ATOM 0 HA SER A 2 7.055 -26.064 -13.226 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.203 -26.878 -15.321 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.199 -25.436 -15.335 1.00 0.00 H new ATOM 0 HG SER A 2 10.208 -27.187 -14.129 1.00 0.00 H new ATOM 21 N MET A 3 8.934 -23.385 -13.686 1.00 0.00 N ATOM 22 CA MET A 3 9.601 -22.250 -12.981 1.00 0.00 C ATOM 23 C MET A 3 8.616 -21.068 -13.059 1.00 0.00 C ATOM 24 O MET A 3 8.853 -20.069 -13.712 1.00 0.00 O ATOM 25 CB MET A 3 10.938 -21.949 -13.710 1.00 0.00 C ATOM 26 CG MET A 3 11.842 -21.052 -12.834 1.00 0.00 C ATOM 27 SD MET A 3 11.239 -19.424 -12.317 1.00 0.00 S ATOM 28 CE MET A 3 11.749 -18.486 -13.780 1.00 0.00 C ATOM 0 H MET A 3 9.109 -23.426 -14.690 1.00 0.00 H new ATOM 0 HA MET A 3 9.837 -22.461 -11.938 1.00 0.00 H new ATOM 0 HB2 MET A 3 11.453 -22.882 -13.938 1.00 0.00 H new ATOM 0 HB3 MET A 3 10.737 -21.455 -14.661 1.00 0.00 H new ATOM 0 HG2 MET A 3 12.085 -21.613 -11.932 1.00 0.00 H new ATOM 0 HG3 MET A 3 12.776 -20.899 -13.376 1.00 0.00 H new ATOM 0 HE1 MET A 3 11.465 -17.441 -13.659 1.00 0.00 H new ATOM 0 HE2 MET A 3 12.830 -18.557 -13.899 1.00 0.00 H new ATOM 0 HE3 MET A 3 11.259 -18.895 -14.664 1.00 0.00 H new ATOM 38 N ALA A 4 7.517 -21.243 -12.371 1.00 0.00 N ATOM 39 CA ALA A 4 6.442 -20.207 -12.326 1.00 0.00 C ATOM 40 C ALA A 4 5.663 -20.385 -11.015 1.00 0.00 C ATOM 41 O ALA A 4 4.554 -20.886 -10.988 1.00 0.00 O ATOM 42 CB ALA A 4 5.525 -20.402 -13.553 1.00 0.00 C ATOM 0 H ALA A 4 7.316 -22.081 -11.826 1.00 0.00 H new ATOM 0 HA ALA A 4 6.853 -19.198 -12.357 1.00 0.00 H new ATOM 0 HB1 ALA A 4 4.733 -19.654 -13.538 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.110 -20.292 -14.466 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.084 -21.398 -13.523 1.00 0.00 H new ATOM 48 N GLN A 5 6.297 -19.956 -9.954 1.00 0.00 N ATOM 49 CA GLN A 5 5.692 -20.052 -8.592 1.00 0.00 C ATOM 50 C GLN A 5 4.532 -19.056 -8.466 1.00 0.00 C ATOM 51 O GLN A 5 4.735 -17.857 -8.474 1.00 0.00 O ATOM 52 CB GLN A 5 6.785 -19.747 -7.534 1.00 0.00 C ATOM 53 CG GLN A 5 7.867 -20.864 -7.497 1.00 0.00 C ATOM 54 CD GLN A 5 8.624 -20.955 -8.831 1.00 0.00 C ATOM 55 OE1 GLN A 5 8.341 -21.930 -9.650 1.00 0.00 O flip ATOM 56 NE2 GLN A 5 9.473 -20.143 -9.139 1.00 0.00 N flip ATOM 0 H GLN A 5 7.226 -19.535 -9.975 1.00 0.00 H new ATOM 0 HA GLN A 5 5.302 -21.057 -8.429 1.00 0.00 H new ATOM 0 HB2 GLN A 5 7.255 -18.790 -7.760 1.00 0.00 H new ATOM 0 HB3 GLN A 5 6.325 -19.651 -6.551 1.00 0.00 H new ATOM 0 HG2 GLN A 5 8.572 -20.664 -6.690 1.00 0.00 H new ATOM 0 HG3 GLN A 5 7.396 -21.822 -7.278 1.00 0.00 H new ATOM 0 HE21 GLN A 5 9.701 -19.377 -8.505 1.00 0.00 H new ATOM 0 HE22 GLN A 5 9.958 -20.227 -10.032 1.00 0.00 H new ATOM 65 N ALA A 6 3.344 -19.600 -8.356 1.00 0.00 N ATOM 66 CA ALA A 6 2.111 -18.764 -8.226 1.00 0.00 C ATOM 67 C ALA A 6 1.082 -19.465 -7.328 1.00 0.00 C ATOM 68 O ALA A 6 1.031 -20.678 -7.265 1.00 0.00 O ATOM 69 CB ALA A 6 1.519 -18.536 -9.623 1.00 0.00 C ATOM 0 H ALA A 6 3.175 -20.606 -8.351 1.00 0.00 H new ATOM 0 HA ALA A 6 2.367 -17.807 -7.771 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.619 -17.927 -9.542 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.249 -18.022 -10.248 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.268 -19.497 -10.073 1.00 0.00 H new ATOM 75 N GLY A 7 0.296 -18.658 -6.663 1.00 0.00 N ATOM 76 CA GLY A 7 -0.765 -19.169 -5.739 1.00 0.00 C ATOM 77 C GLY A 7 -0.951 -18.171 -4.591 1.00 0.00 C ATOM 78 O GLY A 7 -1.223 -18.551 -3.469 1.00 0.00 O ATOM 0 H GLY A 7 0.346 -17.641 -6.723 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.703 -19.301 -6.279 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.483 -20.146 -5.346 1.00 0.00 H new ATOM 82 N GLU A 8 -0.794 -16.916 -4.931 1.00 0.00 N ATOM 83 CA GLU A 8 -0.935 -15.804 -3.946 1.00 0.00 C ATOM 84 C GLU A 8 -1.651 -14.604 -4.584 1.00 0.00 C ATOM 85 O GLU A 8 -1.468 -14.310 -5.750 1.00 0.00 O ATOM 86 CB GLU A 8 0.482 -15.415 -3.468 1.00 0.00 C ATOM 87 CG GLU A 8 1.387 -15.037 -4.684 1.00 0.00 C ATOM 88 CD GLU A 8 2.843 -14.712 -4.277 1.00 0.00 C ATOM 89 OE1 GLU A 8 3.244 -15.064 -3.179 1.00 0.00 O ATOM 90 OE2 GLU A 8 3.491 -14.112 -5.119 1.00 0.00 O ATOM 0 H GLU A 8 -0.568 -16.610 -5.877 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.540 -16.123 -3.097 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.421 -14.574 -2.778 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.928 -16.245 -2.920 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.391 -15.861 -5.397 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.958 -14.175 -5.195 1.00 0.00 H new ATOM 97 N VAL A 9 -2.448 -13.954 -3.778 1.00 0.00 N ATOM 98 CA VAL A 9 -3.223 -12.761 -4.234 1.00 0.00 C ATOM 99 C VAL A 9 -2.390 -11.487 -4.028 1.00 0.00 C ATOM 100 O VAL A 9 -2.136 -11.067 -2.914 1.00 0.00 O ATOM 101 CB VAL A 9 -4.572 -12.692 -3.432 1.00 0.00 C ATOM 102 CG1 VAL A 9 -5.523 -13.769 -3.995 1.00 0.00 C ATOM 103 CG2 VAL A 9 -4.376 -13.004 -1.923 1.00 0.00 C ATOM 0 H VAL A 9 -2.598 -14.205 -2.801 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.449 -12.845 -5.297 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.967 -11.681 -3.535 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.468 -13.740 -3.452 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.706 -13.576 -5.052 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.068 -14.753 -3.879 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.337 -12.944 -1.411 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.966 -14.008 -1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.687 -12.280 -1.488 1.00 0.00 H new ATOM 113 N VAL A 10 -1.990 -10.920 -5.139 1.00 0.00 N ATOM 114 CA VAL A 10 -1.166 -9.670 -5.130 1.00 0.00 C ATOM 115 C VAL A 10 -2.075 -8.429 -5.167 1.00 0.00 C ATOM 116 O VAL A 10 -3.107 -8.445 -5.807 1.00 0.00 O ATOM 117 CB VAL A 10 -0.209 -9.681 -6.375 1.00 0.00 C ATOM 118 CG1 VAL A 10 0.637 -10.975 -6.411 1.00 0.00 C ATOM 119 CG2 VAL A 10 -0.984 -9.568 -7.708 1.00 0.00 C ATOM 0 H VAL A 10 -2.204 -11.277 -6.070 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.575 -9.631 -4.215 1.00 0.00 H new ATOM 0 HB VAL A 10 0.439 -8.811 -6.268 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.291 -10.958 -7.283 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.240 -11.041 -5.506 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.024 -11.840 -6.470 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.280 -9.580 -8.540 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.671 -10.409 -7.802 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.548 -8.635 -7.723 1.00 0.00 H new ATOM 129 N LEU A 11 -1.662 -7.398 -4.472 1.00 0.00 N ATOM 130 CA LEU A 11 -2.433 -6.115 -4.414 1.00 0.00 C ATOM 131 C LEU A 11 -1.506 -4.944 -4.767 1.00 0.00 C ATOM 132 O LEU A 11 -0.314 -5.027 -4.555 1.00 0.00 O ATOM 133 CB LEU A 11 -2.969 -5.875 -3.003 1.00 0.00 C ATOM 134 CG LEU A 11 -3.806 -7.050 -2.470 1.00 0.00 C ATOM 135 CD1 LEU A 11 -4.217 -6.684 -1.030 1.00 0.00 C ATOM 136 CD2 LEU A 11 -5.070 -7.261 -3.329 1.00 0.00 C ATOM 0 H LEU A 11 -0.799 -7.392 -3.928 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.261 -6.184 -5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.132 -5.697 -2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.579 -4.971 -3.001 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.228 -7.973 -2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.816 -7.490 -0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.324 -6.538 -0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.803 -5.765 -1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.645 -8.098 -2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.680 -6.358 -3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.779 -7.477 -4.357 1.00 0.00 H new ATOM 148 N LYS A 12 -2.096 -3.898 -5.291 1.00 0.00 N ATOM 149 CA LYS A 12 -1.341 -2.668 -5.686 1.00 0.00 C ATOM 150 C LYS A 12 -2.264 -1.468 -5.481 1.00 0.00 C ATOM 151 O LYS A 12 -3.224 -1.272 -6.200 1.00 0.00 O ATOM 152 CB LYS A 12 -0.921 -2.759 -7.148 1.00 0.00 C ATOM 153 CG LYS A 12 0.021 -1.570 -7.428 1.00 0.00 C ATOM 154 CD LYS A 12 0.593 -1.758 -8.816 1.00 0.00 C ATOM 155 CE LYS A 12 1.592 -0.635 -9.149 1.00 0.00 C ATOM 156 NZ LYS A 12 0.904 0.686 -9.152 1.00 0.00 N ATOM 0 H LYS A 12 -3.099 -3.845 -5.466 1.00 0.00 H new ATOM 0 HA LYS A 12 -0.441 -2.564 -5.080 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.416 -3.705 -7.345 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.793 -2.721 -7.802 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.522 -0.627 -7.362 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.819 -1.531 -6.687 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.091 -2.726 -8.882 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.213 -1.764 -9.549 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.400 -0.630 -8.418 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.045 -0.819 -10.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.593 1.436 -9.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.159 0.688 -9.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.478 0.858 -8.219 1.00 0.00 H new ATOM 170 N MET A 13 -1.917 -0.708 -4.478 1.00 0.00 N ATOM 171 CA MET A 13 -2.680 0.515 -4.097 1.00 0.00 C ATOM 172 C MET A 13 -1.729 1.707 -4.012 1.00 0.00 C ATOM 173 O MET A 13 -0.618 1.562 -3.540 1.00 0.00 O ATOM 174 CB MET A 13 -3.323 0.317 -2.730 1.00 0.00 C ATOM 175 CG MET A 13 -4.311 -0.863 -2.706 1.00 0.00 C ATOM 176 SD MET A 13 -3.708 -2.518 -3.130 1.00 0.00 S ATOM 177 CE MET A 13 -2.573 -2.797 -1.746 1.00 0.00 C ATOM 0 H MET A 13 -1.107 -0.892 -3.886 1.00 0.00 H new ATOM 0 HA MET A 13 -3.448 0.698 -4.849 1.00 0.00 H new ATOM 0 HB2 MET A 13 -2.544 0.149 -1.987 1.00 0.00 H new ATOM 0 HB3 MET A 13 -3.845 1.229 -2.443 1.00 0.00 H new ATOM 0 HG2 MET A 13 -4.739 -0.915 -1.705 1.00 0.00 H new ATOM 0 HG3 MET A 13 -5.126 -0.624 -3.389 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.561 -2.936 -2.127 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.594 -1.935 -1.079 1.00 0.00 H new ATOM 0 HE3 MET A 13 -2.880 -3.688 -1.198 1.00 0.00 H new ATOM 187 N LYS A 14 -2.204 2.837 -4.467 1.00 0.00 N ATOM 188 CA LYS A 14 -1.381 4.086 -4.441 1.00 0.00 C ATOM 189 C LYS A 14 -2.002 5.073 -3.447 1.00 0.00 C ATOM 190 O LYS A 14 -3.019 5.682 -3.708 1.00 0.00 O ATOM 191 CB LYS A 14 -1.340 4.710 -5.834 1.00 0.00 C ATOM 192 CG LYS A 14 -0.391 5.949 -5.795 1.00 0.00 C ATOM 193 CD LYS A 14 -0.234 6.657 -7.166 1.00 0.00 C ATOM 194 CE LYS A 14 -1.500 7.450 -7.574 1.00 0.00 C ATOM 195 NZ LYS A 14 -2.653 6.547 -7.835 1.00 0.00 N ATOM 0 H LYS A 14 -3.138 2.950 -4.860 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.363 3.847 -4.133 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.984 3.983 -6.564 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.341 5.009 -6.144 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.773 6.665 -5.068 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.591 5.632 -5.445 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.618 7.336 -7.125 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.013 5.913 -7.932 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.760 8.153 -6.783 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.289 8.039 -8.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.132 6.840 -8.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.312 5.570 -7.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.322 6.599 -7.040 1.00 0.00 H new ATOM 209 N VAL A 15 -1.345 5.189 -2.328 1.00 0.00 N ATOM 210 CA VAL A 15 -1.789 6.096 -1.232 1.00 0.00 C ATOM 211 C VAL A 15 -1.651 7.592 -1.524 1.00 0.00 C ATOM 212 O VAL A 15 -0.918 8.021 -2.393 1.00 0.00 O ATOM 213 CB VAL A 15 -0.966 5.675 0.028 1.00 0.00 C ATOM 214 CG1 VAL A 15 -0.687 6.829 1.008 1.00 0.00 C ATOM 215 CG2 VAL A 15 -1.745 4.628 0.799 1.00 0.00 C ATOM 0 H VAL A 15 -0.489 4.675 -2.121 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.864 5.979 -1.091 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.011 5.310 -0.349 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.112 6.456 1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.120 7.609 0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.632 7.240 1.364 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.178 4.328 1.680 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.704 5.043 1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.914 3.759 0.163 1.00 0.00 H new ATOM 225 N GLU A 16 -2.402 8.324 -0.744 1.00 0.00 N ATOM 226 CA GLU A 16 -2.415 9.807 -0.842 1.00 0.00 C ATOM 227 C GLU A 16 -1.315 10.229 0.147 1.00 0.00 C ATOM 228 O GLU A 16 -1.497 10.121 1.345 1.00 0.00 O ATOM 229 CB GLU A 16 -3.780 10.345 -0.391 1.00 0.00 C ATOM 230 CG GLU A 16 -3.743 11.884 -0.442 1.00 0.00 C ATOM 231 CD GLU A 16 -5.009 12.455 0.214 1.00 0.00 C ATOM 232 OE1 GLU A 16 -4.954 12.625 1.423 1.00 0.00 O ATOM 233 OE2 GLU A 16 -5.953 12.687 -0.523 1.00 0.00 O ATOM 0 H GLU A 16 -3.020 7.943 -0.027 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.248 10.183 -1.852 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.570 9.964 -1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.005 10.005 0.620 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.857 12.253 0.074 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.674 12.222 -1.476 1.00 0.00 H new ATOM 240 N GLY A 17 -0.209 10.693 -0.376 1.00 0.00 N ATOM 241 CA GLY A 17 0.927 11.130 0.493 1.00 0.00 C ATOM 242 C GLY A 17 0.536 12.256 1.466 1.00 0.00 C ATOM 243 O GLY A 17 1.267 12.537 2.395 1.00 0.00 O ATOM 0 H GLY A 17 -0.042 10.789 -1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.293 10.275 1.062 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.750 11.469 -0.136 1.00 0.00 H new ATOM 247 N MET A 18 -0.604 12.857 1.211 1.00 0.00 N ATOM 248 CA MET A 18 -1.165 13.973 2.037 1.00 0.00 C ATOM 249 C MET A 18 -0.331 15.253 1.861 1.00 0.00 C ATOM 250 O MET A 18 0.882 15.236 1.955 1.00 0.00 O ATOM 251 CB MET A 18 -1.182 13.540 3.522 1.00 0.00 C ATOM 252 CG MET A 18 -2.048 14.502 4.336 1.00 0.00 C ATOM 253 SD MET A 18 -3.808 14.598 3.919 1.00 0.00 S ATOM 254 CE MET A 18 -4.318 13.024 4.655 1.00 0.00 C ATOM 0 H MET A 18 -1.197 12.603 0.421 1.00 0.00 H new ATOM 0 HA MET A 18 -2.181 14.189 1.707 1.00 0.00 H new ATOM 0 HB2 MET A 18 -1.570 12.525 3.609 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.166 13.528 3.918 1.00 0.00 H new ATOM 0 HG2 MET A 18 -1.966 14.222 5.386 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.624 15.501 4.238 1.00 0.00 H new ATOM 0 HE1 MET A 18 -5.401 13.015 4.781 1.00 0.00 H new ATOM 0 HE2 MET A 18 -4.022 12.204 4.001 1.00 0.00 H new ATOM 0 HE3 MET A 18 -3.839 12.904 5.627 1.00 0.00 H new ATOM 264 N THR A 19 -1.034 16.327 1.609 1.00 0.00 N ATOM 265 CA THR A 19 -0.393 17.663 1.404 1.00 0.00 C ATOM 266 C THR A 19 -0.093 18.396 2.736 1.00 0.00 C ATOM 267 O THR A 19 -0.393 19.564 2.900 1.00 0.00 O ATOM 268 CB THR A 19 -1.365 18.460 0.471 1.00 0.00 C ATOM 269 OG1 THR A 19 -0.788 19.746 0.287 1.00 0.00 O ATOM 270 CG2 THR A 19 -2.752 18.700 1.112 1.00 0.00 C ATOM 0 H THR A 19 -2.051 16.334 1.535 1.00 0.00 H new ATOM 0 HA THR A 19 0.590 17.561 0.944 1.00 0.00 H new ATOM 0 HB THR A 19 -1.500 17.887 -0.446 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.541 20.121 1.158 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.382 19.257 0.418 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.220 17.741 1.337 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.633 19.271 2.033 1.00 0.00 H new ATOM 278 N CYS A 20 0.504 17.678 3.658 1.00 0.00 N ATOM 279 CA CYS A 20 0.855 18.269 4.986 1.00 0.00 C ATOM 280 C CYS A 20 1.872 17.386 5.721 1.00 0.00 C ATOM 281 O CYS A 20 2.887 17.876 6.179 1.00 0.00 O ATOM 282 CB CYS A 20 -0.418 18.410 5.854 1.00 0.00 C ATOM 283 SG CYS A 20 -1.309 16.912 6.340 1.00 0.00 S ATOM 0 H CYS A 20 0.765 16.698 3.544 1.00 0.00 H new ATOM 0 HA CYS A 20 1.296 19.251 4.816 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.140 18.939 6.765 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -1.117 19.050 5.315 1.00 0.00 H new ATOM 0 HG CYS A 20 -2.340 17.236 7.062 1.00 0.00 H new ATOM 288 N HIS A 21 1.573 16.113 5.811 1.00 0.00 N ATOM 289 CA HIS A 21 2.488 15.150 6.506 1.00 0.00 C ATOM 290 C HIS A 21 2.077 13.710 6.179 1.00 0.00 C ATOM 291 O HIS A 21 0.905 13.421 6.043 1.00 0.00 O ATOM 292 CB HIS A 21 2.409 15.377 8.032 1.00 0.00 C ATOM 293 CG HIS A 21 3.350 14.398 8.748 1.00 0.00 C ATOM 294 ND1 HIS A 21 3.091 13.153 8.977 1.00 0.00 N ATOM 295 CD2 HIS A 21 4.614 14.588 9.283 1.00 0.00 C ATOM 296 CE1 HIS A 21 4.087 12.606 9.595 1.00 0.00 C ATOM 297 NE2 HIS A 21 5.057 13.462 9.806 1.00 0.00 N ATOM 0 H HIS A 21 0.725 15.694 5.429 1.00 0.00 H new ATOM 0 HA HIS A 21 3.510 15.315 6.164 1.00 0.00 H new ATOM 0 HB2 HIS A 21 2.685 16.404 8.272 1.00 0.00 H new ATOM 0 HB3 HIS A 21 1.386 15.233 8.379 1.00 0.00 H new ATOM 0 HD2 HIS A 21 5.157 15.522 9.273 1.00 0.00 H new ATOM 0 HE1 HIS A 21 4.116 11.570 9.900 1.00 0.00 H new ATOM 0 HE2 HIS A 21 5.950 13.295 10.269 1.00 0.00 H new ATOM 305 N SER A 22 3.067 12.858 6.070 1.00 0.00 N ATOM 306 CA SER A 22 2.820 11.418 5.757 1.00 0.00 C ATOM 307 C SER A 22 3.060 10.567 7.012 1.00 0.00 C ATOM 308 O SER A 22 4.190 10.302 7.374 1.00 0.00 O ATOM 309 CB SER A 22 3.774 10.965 4.638 1.00 0.00 C ATOM 310 OG SER A 22 3.567 11.877 3.568 1.00 0.00 O ATOM 0 H SER A 22 4.050 13.104 6.187 1.00 0.00 H new ATOM 0 HA SER A 22 1.788 11.292 5.429 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.811 10.984 4.975 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.558 9.942 4.329 1.00 0.00 H new ATOM 0 HG SER A 22 2.606 12.022 3.443 1.00 0.00 H new ATOM 316 N CYS A 23 1.984 10.163 7.641 1.00 0.00 N ATOM 317 CA CYS A 23 2.081 9.322 8.878 1.00 0.00 C ATOM 318 C CYS A 23 2.104 7.842 8.454 1.00 0.00 C ATOM 319 O CYS A 23 1.455 6.994 9.039 1.00 0.00 O ATOM 320 CB CYS A 23 0.859 9.630 9.766 1.00 0.00 C ATOM 321 SG CYS A 23 0.746 8.774 11.358 1.00 0.00 S ATOM 0 H CYS A 23 1.032 10.382 7.348 1.00 0.00 H new ATOM 0 HA CYS A 23 2.988 9.538 9.443 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.845 10.703 9.959 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.039 9.397 9.194 1.00 0.00 H new ATOM 0 HG CYS A 23 1.041 7.518 11.197 1.00 0.00 H new ATOM 326 N THR A 24 2.875 7.586 7.426 1.00 0.00 N ATOM 327 CA THR A 24 3.012 6.204 6.879 1.00 0.00 C ATOM 328 C THR A 24 3.994 5.338 7.682 1.00 0.00 C ATOM 329 O THR A 24 4.097 4.151 7.442 1.00 0.00 O ATOM 330 CB THR A 24 3.474 6.306 5.408 1.00 0.00 C ATOM 331 OG1 THR A 24 4.721 6.989 5.449 1.00 0.00 O ATOM 332 CG2 THR A 24 2.555 7.239 4.571 1.00 0.00 C ATOM 0 H THR A 24 3.425 8.291 6.935 1.00 0.00 H new ATOM 0 HA THR A 24 2.041 5.713 6.951 1.00 0.00 H new ATOM 0 HB THR A 24 3.487 5.307 4.972 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.774 7.619 4.700 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.917 7.281 3.544 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.537 6.851 4.581 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.566 8.241 5.000 1.00 0.00 H new ATOM 340 N SER A 25 4.686 5.951 8.611 1.00 0.00 N ATOM 341 CA SER A 25 5.669 5.196 9.454 1.00 0.00 C ATOM 342 C SER A 25 4.919 4.084 10.206 1.00 0.00 C ATOM 343 O SER A 25 5.415 2.985 10.366 1.00 0.00 O ATOM 344 CB SER A 25 6.321 6.175 10.445 1.00 0.00 C ATOM 345 OG SER A 25 7.258 5.383 11.162 1.00 0.00 O ATOM 0 H SER A 25 4.613 6.946 8.824 1.00 0.00 H new ATOM 0 HA SER A 25 6.446 4.745 8.837 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.812 6.998 9.925 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.581 6.616 11.113 1.00 0.00 H new ATOM 0 HG SER A 25 7.722 5.941 11.820 1.00 0.00 H new ATOM 351 N THR A 26 3.735 4.434 10.638 1.00 0.00 N ATOM 352 CA THR A 26 2.859 3.489 11.387 1.00 0.00 C ATOM 353 C THR A 26 2.309 2.407 10.447 1.00 0.00 C ATOM 354 O THR A 26 2.123 1.274 10.849 1.00 0.00 O ATOM 355 CB THR A 26 1.690 4.282 12.021 1.00 0.00 C ATOM 356 OG1 THR A 26 1.042 4.930 10.935 1.00 0.00 O ATOM 357 CG2 THR A 26 2.198 5.437 12.905 1.00 0.00 C ATOM 0 H THR A 26 3.330 5.360 10.498 1.00 0.00 H new ATOM 0 HA THR A 26 3.441 3.000 12.168 1.00 0.00 H new ATOM 0 HB THR A 26 1.074 3.602 12.609 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.284 5.453 11.271 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.348 5.969 13.332 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.816 5.036 13.709 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.790 6.124 12.301 1.00 0.00 H new ATOM 365 N ILE A 27 2.071 2.801 9.220 1.00 0.00 N ATOM 366 CA ILE A 27 1.531 1.851 8.199 1.00 0.00 C ATOM 367 C ILE A 27 2.527 0.711 7.946 1.00 0.00 C ATOM 368 O ILE A 27 2.130 -0.417 7.734 1.00 0.00 O ATOM 369 CB ILE A 27 1.253 2.640 6.883 1.00 0.00 C ATOM 370 CG1 ILE A 27 0.183 3.738 7.171 1.00 0.00 C ATOM 371 CG2 ILE A 27 0.753 1.664 5.795 1.00 0.00 C ATOM 372 CD1 ILE A 27 -0.134 4.562 5.903 1.00 0.00 C ATOM 0 H ILE A 27 2.229 3.749 8.879 1.00 0.00 H new ATOM 0 HA ILE A 27 0.604 1.407 8.562 1.00 0.00 H new ATOM 0 HB ILE A 27 2.166 3.117 6.527 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.730 3.271 7.541 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.543 4.401 7.957 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.558 2.214 4.874 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.513 0.905 5.610 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.166 1.183 6.132 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.883 5.318 6.138 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.775 5.049 5.549 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.518 3.901 5.126 1.00 0.00 H new ATOM 384 N GLU A 28 3.792 1.046 7.978 1.00 0.00 N ATOM 385 CA GLU A 28 4.877 0.056 7.752 1.00 0.00 C ATOM 386 C GLU A 28 4.714 -1.170 8.665 1.00 0.00 C ATOM 387 O GLU A 28 4.487 -2.273 8.207 1.00 0.00 O ATOM 388 CB GLU A 28 6.200 0.787 8.023 1.00 0.00 C ATOM 389 CG GLU A 28 7.392 0.021 7.445 1.00 0.00 C ATOM 390 CD GLU A 28 7.571 -1.353 8.123 1.00 0.00 C ATOM 391 OE1 GLU A 28 7.910 -1.343 9.296 1.00 0.00 O ATOM 392 OE2 GLU A 28 7.356 -2.336 7.432 1.00 0.00 O ATOM 0 H GLU A 28 4.122 1.994 8.157 1.00 0.00 H new ATOM 0 HA GLU A 28 4.849 -0.325 6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.161 1.785 7.587 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.334 0.914 9.097 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.250 -0.118 6.373 1.00 0.00 H new ATOM 0 HG3 GLU A 28 8.300 0.611 7.573 1.00 0.00 H new ATOM 399 N GLY A 29 4.839 -0.906 9.939 1.00 0.00 N ATOM 400 CA GLY A 29 4.715 -1.975 10.976 1.00 0.00 C ATOM 401 C GLY A 29 3.318 -2.599 11.031 1.00 0.00 C ATOM 402 O GLY A 29 3.176 -3.744 11.417 1.00 0.00 O ATOM 0 H GLY A 29 5.026 0.025 10.313 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.448 -2.756 10.773 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.958 -1.556 11.952 1.00 0.00 H new ATOM 406 N LYS A 30 2.328 -1.834 10.639 1.00 0.00 N ATOM 407 CA LYS A 30 0.922 -2.350 10.657 1.00 0.00 C ATOM 408 C LYS A 30 0.781 -3.439 9.589 1.00 0.00 C ATOM 409 O LYS A 30 0.144 -4.453 9.802 1.00 0.00 O ATOM 410 CB LYS A 30 -0.045 -1.176 10.370 1.00 0.00 C ATOM 411 CG LYS A 30 -1.531 -1.628 10.425 1.00 0.00 C ATOM 412 CD LYS A 30 -1.885 -2.181 11.831 1.00 0.00 C ATOM 413 CE LYS A 30 -3.378 -2.542 11.883 1.00 0.00 C ATOM 414 NZ LYS A 30 -3.719 -3.094 13.223 1.00 0.00 N ATOM 0 H LYS A 30 2.432 -0.875 10.307 1.00 0.00 H new ATOM 0 HA LYS A 30 0.681 -2.777 11.631 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.121 -0.382 11.098 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.172 -0.758 9.387 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.181 -0.787 10.186 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.711 -2.395 9.671 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.280 -3.061 12.049 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.654 -1.438 12.594 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.982 -1.658 11.680 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.612 -3.273 11.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.730 -3.336 13.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.153 -3.948 13.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.512 -2.384 13.954 1.00 0.00 H new ATOM 428 N ILE A 31 1.397 -3.175 8.468 1.00 0.00 N ATOM 429 CA ILE A 31 1.368 -4.125 7.324 1.00 0.00 C ATOM 430 C ILE A 31 2.327 -5.293 7.603 1.00 0.00 C ATOM 431 O ILE A 31 2.115 -6.394 7.135 1.00 0.00 O ATOM 432 CB ILE A 31 1.771 -3.343 6.043 1.00 0.00 C ATOM 433 CG1 ILE A 31 0.620 -2.348 5.699 1.00 0.00 C ATOM 434 CG2 ILE A 31 1.989 -4.318 4.872 1.00 0.00 C ATOM 435 CD1 ILE A 31 0.948 -1.514 4.442 1.00 0.00 C ATOM 0 H ILE A 31 1.930 -2.322 8.296 1.00 0.00 H new ATOM 0 HA ILE A 31 0.372 -4.546 7.185 1.00 0.00 H new ATOM 0 HB ILE A 31 2.701 -2.801 6.214 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.305 -2.902 5.538 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.449 -1.682 6.544 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.271 -3.758 3.980 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.783 -5.020 5.126 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.067 -4.867 4.679 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.124 -0.832 4.233 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.859 -0.941 4.613 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.093 -2.180 3.591 1.00 0.00 H new ATOM 447 N GLY A 32 3.356 -5.012 8.363 1.00 0.00 N ATOM 448 CA GLY A 32 4.363 -6.048 8.714 1.00 0.00 C ATOM 449 C GLY A 32 3.772 -7.046 9.717 1.00 0.00 C ATOM 450 O GLY A 32 4.323 -8.105 9.946 1.00 0.00 O ATOM 0 H GLY A 32 3.540 -4.090 8.760 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.684 -6.573 7.814 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.248 -5.575 9.140 1.00 0.00 H new ATOM 454 N LYS A 33 2.655 -6.656 10.276 1.00 0.00 N ATOM 455 CA LYS A 33 1.935 -7.488 11.276 1.00 0.00 C ATOM 456 C LYS A 33 0.947 -8.466 10.618 1.00 0.00 C ATOM 457 O LYS A 33 0.343 -9.289 11.279 1.00 0.00 O ATOM 458 CB LYS A 33 1.229 -6.526 12.221 1.00 0.00 C ATOM 459 CG LYS A 33 0.603 -7.276 13.414 1.00 0.00 C ATOM 460 CD LYS A 33 0.163 -6.232 14.437 1.00 0.00 C ATOM 461 CE LYS A 33 -0.520 -6.922 15.629 1.00 0.00 C ATOM 462 NZ LYS A 33 -0.947 -5.899 16.623 1.00 0.00 N ATOM 0 H LYS A 33 2.202 -5.766 10.071 1.00 0.00 H new ATOM 0 HA LYS A 33 2.640 -8.118 11.819 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.939 -5.784 12.586 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.453 -5.985 11.680 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.248 -7.873 13.087 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.325 -7.964 13.855 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.026 -5.662 14.781 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.523 -5.523 13.974 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.383 -7.492 15.286 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.166 -7.630 16.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.409 -6.369 17.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.115 -5.373 16.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.616 -5.240 16.177 1.00 0.00 H new ATOM 476 N LEU A 34 0.818 -8.349 9.321 1.00 0.00 N ATOM 477 CA LEU A 34 -0.098 -9.218 8.551 1.00 0.00 C ATOM 478 C LEU A 34 0.411 -10.651 8.389 1.00 0.00 C ATOM 479 O LEU A 34 1.460 -10.881 7.818 1.00 0.00 O ATOM 480 CB LEU A 34 -0.314 -8.579 7.178 1.00 0.00 C ATOM 481 CG LEU A 34 -1.308 -7.396 7.272 1.00 0.00 C ATOM 482 CD1 LEU A 34 -1.209 -6.554 5.987 1.00 0.00 C ATOM 483 CD2 LEU A 34 -2.743 -7.984 7.353 1.00 0.00 C ATOM 0 H LEU A 34 1.326 -7.667 8.757 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.032 -9.297 9.107 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.639 -8.229 6.781 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.695 -9.325 6.481 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.083 -6.780 8.143 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.906 -5.718 6.045 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.194 -6.173 5.879 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.457 -7.174 5.126 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.466 -7.171 7.420 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.945 -8.576 6.460 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.827 -8.618 8.235 1.00 0.00 H new ATOM 495 N GLN A 35 -0.368 -11.567 8.905 1.00 0.00 N ATOM 496 CA GLN A 35 -0.015 -13.008 8.825 1.00 0.00 C ATOM 497 C GLN A 35 -0.462 -13.559 7.463 1.00 0.00 C ATOM 498 O GLN A 35 -1.533 -13.243 6.984 1.00 0.00 O ATOM 499 CB GLN A 35 -0.719 -13.761 9.986 1.00 0.00 C ATOM 500 CG GLN A 35 -2.257 -13.632 9.899 1.00 0.00 C ATOM 501 CD GLN A 35 -2.894 -14.305 11.121 1.00 0.00 C ATOM 502 OE1 GLN A 35 -3.582 -13.678 11.902 1.00 0.00 O ATOM 503 NE2 GLN A 35 -2.691 -15.578 11.324 1.00 0.00 N ATOM 0 H GLN A 35 -1.246 -11.370 9.385 1.00 0.00 H new ATOM 0 HA GLN A 35 1.062 -13.146 8.919 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.440 -14.814 9.959 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.374 -13.364 10.940 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -2.543 -12.581 9.858 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -2.621 -14.097 8.983 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.115 -16.113 10.674 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.108 -16.038 12.133 1.00 0.00 H new ATOM 512 N GLY A 36 0.387 -14.364 6.881 1.00 0.00 N ATOM 513 CA GLY A 36 0.097 -14.979 5.560 1.00 0.00 C ATOM 514 C GLY A 36 0.649 -14.119 4.422 1.00 0.00 C ATOM 515 O GLY A 36 0.644 -14.530 3.278 1.00 0.00 O ATOM 0 H GLY A 36 1.289 -14.625 7.279 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.537 -15.975 5.514 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.980 -15.100 5.440 1.00 0.00 H new ATOM 519 N VAL A 37 1.113 -12.943 4.764 1.00 0.00 N ATOM 520 CA VAL A 37 1.676 -12.035 3.722 1.00 0.00 C ATOM 521 C VAL A 37 2.955 -12.661 3.163 1.00 0.00 C ATOM 522 O VAL A 37 3.856 -13.011 3.900 1.00 0.00 O ATOM 523 CB VAL A 37 1.926 -10.634 4.387 1.00 0.00 C ATOM 524 CG1 VAL A 37 2.996 -9.825 3.623 1.00 0.00 C ATOM 525 CG2 VAL A 37 0.611 -9.859 4.243 1.00 0.00 C ATOM 0 H VAL A 37 1.126 -12.575 5.715 1.00 0.00 H new ATOM 0 HA VAL A 37 0.992 -11.896 2.885 1.00 0.00 H new ATOM 0 HB VAL A 37 2.255 -10.774 5.417 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.142 -8.862 4.112 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.936 -10.377 3.620 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.666 -9.664 2.597 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.721 -8.870 4.689 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.364 -9.755 3.187 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.187 -10.400 4.751 1.00 0.00 H new ATOM 535 N GLN A 38 2.974 -12.775 1.858 1.00 0.00 N ATOM 536 CA GLN A 38 4.146 -13.367 1.160 1.00 0.00 C ATOM 537 C GLN A 38 5.128 -12.226 0.907 1.00 0.00 C ATOM 538 O GLN A 38 6.125 -12.110 1.593 1.00 0.00 O ATOM 539 CB GLN A 38 3.670 -14.015 -0.179 1.00 0.00 C ATOM 540 CG GLN A 38 2.546 -15.056 0.062 1.00 0.00 C ATOM 541 CD GLN A 38 3.020 -16.154 1.017 1.00 0.00 C ATOM 542 OE1 GLN A 38 2.934 -15.931 2.299 1.00 0.00 O flip ATOM 543 NE2 GLN A 38 3.467 -17.208 0.613 1.00 0.00 N flip ATOM 0 H GLN A 38 2.216 -12.478 1.244 1.00 0.00 H new ATOM 0 HA GLN A 38 4.626 -14.147 1.751 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.309 -13.238 -0.853 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.514 -14.497 -0.672 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.668 -14.561 0.477 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.244 -15.498 -0.887 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.534 -17.383 -0.390 1.00 0.00 H new ATOM 0 HE22 GLN A 38 3.775 -17.919 1.276 1.00 0.00 H new ATOM 552 N ARG A 39 4.808 -11.417 -0.072 1.00 0.00 N ATOM 553 CA ARG A 39 5.689 -10.260 -0.416 1.00 0.00 C ATOM 554 C ARG A 39 5.112 -9.020 0.265 1.00 0.00 C ATOM 555 O ARG A 39 3.938 -8.965 0.573 1.00 0.00 O ATOM 556 CB ARG A 39 5.724 -10.074 -1.958 1.00 0.00 C ATOM 557 CG ARG A 39 6.756 -9.008 -2.443 1.00 0.00 C ATOM 558 CD ARG A 39 8.215 -9.391 -2.094 1.00 0.00 C ATOM 559 NE ARG A 39 8.500 -8.992 -0.678 1.00 0.00 N ATOM 560 CZ ARG A 39 9.134 -9.761 0.174 1.00 0.00 C ATOM 561 NH1 ARG A 39 9.562 -10.948 -0.164 1.00 0.00 N ATOM 562 NH2 ARG A 39 9.318 -9.296 1.378 1.00 0.00 N ATOM 0 H ARG A 39 3.972 -11.509 -0.649 1.00 0.00 H new ATOM 0 HA ARG A 39 6.710 -10.430 -0.074 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.958 -11.031 -2.424 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.730 -9.787 -2.302 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.665 -8.884 -3.522 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.519 -8.045 -1.990 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.363 -10.464 -2.220 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.907 -8.892 -2.772 1.00 0.00 H new ATOM 0 HE ARG A 39 8.185 -8.075 -0.361 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.406 -11.296 -1.110 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.053 -11.527 0.518 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.974 -8.368 1.624 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.806 -9.860 2.073 1.00 0.00 H new ATOM 576 N ILE A 40 5.966 -8.064 0.481 1.00 0.00 N ATOM 577 CA ILE A 40 5.563 -6.792 1.129 1.00 0.00 C ATOM 578 C ILE A 40 6.541 -5.727 0.626 1.00 0.00 C ATOM 579 O ILE A 40 7.727 -5.797 0.884 1.00 0.00 O ATOM 580 CB ILE A 40 5.628 -6.989 2.680 1.00 0.00 C ATOM 581 CG1 ILE A 40 5.305 -5.631 3.369 1.00 0.00 C ATOM 582 CG2 ILE A 40 7.000 -7.567 3.142 1.00 0.00 C ATOM 583 CD1 ILE A 40 5.319 -5.750 4.908 1.00 0.00 C ATOM 0 H ILE A 40 6.953 -8.114 0.228 1.00 0.00 H new ATOM 0 HA ILE A 40 4.546 -6.484 0.888 1.00 0.00 H new ATOM 0 HB ILE A 40 4.884 -7.728 2.977 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.033 -4.883 3.056 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.326 -5.281 3.041 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.998 -7.686 4.225 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.164 -8.536 2.670 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.798 -6.883 2.854 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.089 -4.781 5.350 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.573 -6.479 5.223 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.306 -6.075 5.239 1.00 0.00 H new ATOM 595 N LYS A 41 6.014 -4.768 -0.092 1.00 0.00 N ATOM 596 CA LYS A 41 6.878 -3.679 -0.632 1.00 0.00 C ATOM 597 C LYS A 41 6.041 -2.439 -0.928 1.00 0.00 C ATOM 598 O LYS A 41 5.186 -2.442 -1.795 1.00 0.00 O ATOM 599 CB LYS A 41 7.588 -4.185 -1.921 1.00 0.00 C ATOM 600 CG LYS A 41 6.597 -4.887 -2.891 1.00 0.00 C ATOM 601 CD LYS A 41 6.698 -4.256 -4.291 1.00 0.00 C ATOM 602 CE LYS A 41 5.809 -5.034 -5.277 1.00 0.00 C ATOM 603 NZ LYS A 41 6.317 -6.426 -5.441 1.00 0.00 N ATOM 0 H LYS A 41 5.024 -4.693 -0.327 1.00 0.00 H new ATOM 0 HA LYS A 41 7.631 -3.407 0.108 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.060 -3.344 -2.430 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.383 -4.879 -1.649 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.821 -5.952 -2.946 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.579 -4.795 -2.514 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.388 -3.212 -4.253 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.733 -4.269 -4.632 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.782 -5.055 -4.913 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.795 -4.528 -6.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.946 -6.829 -6.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.356 -6.415 -5.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.003 -7.007 -4.638 1.00 0.00 H new ATOM 617 N VAL A 42 6.333 -1.411 -0.173 1.00 0.00 N ATOM 618 CA VAL A 42 5.616 -0.113 -0.317 1.00 0.00 C ATOM 619 C VAL A 42 6.554 0.919 -0.949 1.00 0.00 C ATOM 620 O VAL A 42 7.752 0.899 -0.740 1.00 0.00 O ATOM 621 CB VAL A 42 5.148 0.349 1.089 1.00 0.00 C ATOM 622 CG1 VAL A 42 4.277 1.614 0.972 1.00 0.00 C ATOM 623 CG2 VAL A 42 4.319 -0.768 1.771 1.00 0.00 C ATOM 0 H VAL A 42 7.052 -1.419 0.550 1.00 0.00 H new ATOM 0 HA VAL A 42 4.746 -0.223 -0.964 1.00 0.00 H new ATOM 0 HB VAL A 42 6.032 0.567 1.688 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.955 1.927 1.965 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.856 2.413 0.509 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.402 1.398 0.359 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.997 -0.432 2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.445 -0.996 1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.932 -1.663 1.876 1.00 0.00 H new ATOM 633 N SER A 43 5.948 1.794 -1.708 1.00 0.00 N ATOM 634 CA SER A 43 6.705 2.878 -2.414 1.00 0.00 C ATOM 635 C SER A 43 6.827 4.120 -1.520 1.00 0.00 C ATOM 636 O SER A 43 6.388 4.133 -0.387 1.00 0.00 O ATOM 637 CB SER A 43 5.945 3.199 -3.712 1.00 0.00 C ATOM 638 OG SER A 43 6.808 4.027 -4.479 1.00 0.00 O ATOM 0 H SER A 43 4.942 1.806 -1.873 1.00 0.00 H new ATOM 0 HA SER A 43 7.719 2.553 -2.645 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.697 2.287 -4.254 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.005 3.708 -3.498 1.00 0.00 H new ATOM 0 HG SER A 43 6.370 4.262 -5.324 1.00 0.00 H new ATOM 644 N LEU A 44 7.445 5.120 -2.087 1.00 0.00 N ATOM 645 CA LEU A 44 7.666 6.428 -1.394 1.00 0.00 C ATOM 646 C LEU A 44 6.671 7.455 -1.965 1.00 0.00 C ATOM 647 O LEU A 44 5.892 7.129 -2.840 1.00 0.00 O ATOM 648 CB LEU A 44 9.116 6.894 -1.648 1.00 0.00 C ATOM 649 CG LEU A 44 10.144 5.832 -1.162 1.00 0.00 C ATOM 650 CD1 LEU A 44 11.566 6.315 -1.516 1.00 0.00 C ATOM 651 CD2 LEU A 44 10.052 5.640 0.371 1.00 0.00 C ATOM 0 H LEU A 44 7.820 5.085 -3.035 1.00 0.00 H new ATOM 0 HA LEU A 44 7.510 6.326 -0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.259 7.081 -2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.293 7.838 -1.132 1.00 0.00 H new ATOM 0 HG LEU A 44 9.925 4.883 -1.651 1.00 0.00 H new ATOM 0 HD11 LEU A 44 12.295 5.578 -1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.649 6.441 -2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 44 11.760 7.268 -1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.780 4.893 0.688 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.262 6.586 0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 44 9.049 5.305 0.636 1.00 0.00 H new ATOM 663 N ASP A 45 6.738 8.658 -1.445 1.00 0.00 N ATOM 664 CA ASP A 45 5.845 9.784 -1.882 1.00 0.00 C ATOM 665 C ASP A 45 4.358 9.409 -1.731 1.00 0.00 C ATOM 666 O ASP A 45 3.767 9.677 -0.704 1.00 0.00 O ATOM 667 CB ASP A 45 6.180 10.140 -3.364 1.00 0.00 C ATOM 668 CG ASP A 45 7.670 10.514 -3.465 1.00 0.00 C ATOM 669 OD1 ASP A 45 8.449 9.591 -3.640 1.00 0.00 O ATOM 670 OD2 ASP A 45 7.945 11.698 -3.361 1.00 0.00 O ATOM 0 H ASP A 45 7.397 8.915 -0.710 1.00 0.00 H new ATOM 0 HA ASP A 45 6.022 10.651 -1.246 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.960 9.293 -4.014 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.560 10.970 -3.701 1.00 0.00 H new ATOM 675 N ASN A 46 3.798 8.800 -2.749 1.00 0.00 N ATOM 676 CA ASN A 46 2.361 8.385 -2.712 1.00 0.00 C ATOM 677 C ASN A 46 2.215 7.065 -1.939 1.00 0.00 C ATOM 678 O ASN A 46 1.173 6.443 -1.984 1.00 0.00 O ATOM 679 CB ASN A 46 1.846 8.187 -4.145 1.00 0.00 C ATOM 680 CG ASN A 46 1.964 9.493 -4.943 1.00 0.00 C ATOM 681 OD1 ASN A 46 3.147 9.991 -5.188 1.00 0.00 O flip ATOM 682 ND2 ASN A 46 0.978 10.073 -5.354 1.00 0.00 N flip ATOM 0 H ASN A 46 4.284 8.570 -3.616 1.00 0.00 H new ATOM 0 HA ASN A 46 1.781 9.162 -2.214 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.417 7.400 -4.638 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.806 7.860 -4.122 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.049 9.694 -5.169 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.079 10.939 -5.884 1.00 0.00 H new ATOM 689 N GLN A 47 3.273 6.691 -1.258 1.00 0.00 N ATOM 690 CA GLN A 47 3.340 5.444 -0.440 1.00 0.00 C ATOM 691 C GLN A 47 2.540 4.299 -1.089 1.00 0.00 C ATOM 692 O GLN A 47 1.724 3.651 -0.461 1.00 0.00 O ATOM 693 CB GLN A 47 2.811 5.841 0.944 1.00 0.00 C ATOM 694 CG GLN A 47 3.204 4.824 2.033 1.00 0.00 C ATOM 695 CD GLN A 47 4.713 4.932 2.327 1.00 0.00 C ATOM 696 OE1 GLN A 47 5.434 3.954 2.349 1.00 0.00 O ATOM 697 NE2 GLN A 47 5.236 6.106 2.559 1.00 0.00 N ATOM 0 H GLN A 47 4.137 7.233 -1.239 1.00 0.00 H new ATOM 0 HA GLN A 47 4.355 5.053 -0.365 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.199 6.824 1.211 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.725 5.927 0.905 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.633 5.012 2.942 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.959 3.814 1.705 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.647 6.939 2.545 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.234 6.190 2.754 1.00 0.00 H new ATOM 706 N GLU A 48 2.822 4.103 -2.352 1.00 0.00 N ATOM 707 CA GLU A 48 2.131 3.036 -3.137 1.00 0.00 C ATOM 708 C GLU A 48 2.491 1.644 -2.616 1.00 0.00 C ATOM 709 O GLU A 48 3.467 1.032 -3.009 1.00 0.00 O ATOM 710 CB GLU A 48 2.526 3.186 -4.633 1.00 0.00 C ATOM 711 CG GLU A 48 1.734 2.183 -5.503 1.00 0.00 C ATOM 712 CD GLU A 48 2.148 2.357 -6.971 1.00 0.00 C ATOM 713 OE1 GLU A 48 3.114 1.710 -7.345 1.00 0.00 O ATOM 714 OE2 GLU A 48 1.476 3.126 -7.637 1.00 0.00 O ATOM 0 H GLU A 48 3.509 4.643 -2.878 1.00 0.00 H new ATOM 0 HA GLU A 48 1.052 3.149 -3.028 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.327 4.204 -4.968 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.596 3.015 -4.752 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.931 1.163 -5.175 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.663 2.352 -5.392 1.00 0.00 H new ATOM 721 N ALA A 49 1.645 1.203 -1.723 1.00 0.00 N ATOM 722 CA ALA A 49 1.810 -0.131 -1.085 1.00 0.00 C ATOM 723 C ALA A 49 1.402 -1.241 -2.058 1.00 0.00 C ATOM 724 O ALA A 49 0.349 -1.156 -2.659 1.00 0.00 O ATOM 725 CB ALA A 49 0.936 -0.150 0.162 1.00 0.00 C ATOM 0 H ALA A 49 0.829 1.725 -1.404 1.00 0.00 H new ATOM 0 HA ALA A 49 2.852 -0.305 -0.816 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.031 -1.116 0.658 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.255 0.640 0.842 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.104 0.012 -0.120 1.00 0.00 H new ATOM 731 N THR A 50 2.238 -2.242 -2.191 1.00 0.00 N ATOM 732 CA THR A 50 1.929 -3.370 -3.119 1.00 0.00 C ATOM 733 C THR A 50 2.263 -4.695 -2.412 1.00 0.00 C ATOM 734 O THR A 50 3.203 -5.389 -2.752 1.00 0.00 O ATOM 735 CB THR A 50 2.777 -3.146 -4.382 1.00 0.00 C ATOM 736 OG1 THR A 50 2.413 -1.847 -4.833 1.00 0.00 O ATOM 737 CG2 THR A 50 2.345 -4.064 -5.546 1.00 0.00 C ATOM 0 H THR A 50 3.125 -2.325 -1.694 1.00 0.00 H new ATOM 0 HA THR A 50 0.877 -3.413 -3.399 1.00 0.00 H new ATOM 0 HB THR A 50 3.827 -3.313 -4.141 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.919 -1.629 -5.644 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.973 -3.869 -6.415 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.453 -5.106 -5.247 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.303 -3.865 -5.799 1.00 0.00 H new ATOM 745 N ILE A 51 1.452 -4.995 -1.430 1.00 0.00 N ATOM 746 CA ILE A 51 1.616 -6.244 -0.619 1.00 0.00 C ATOM 747 C ILE A 51 0.986 -7.446 -1.336 1.00 0.00 C ATOM 748 O ILE A 51 0.033 -7.307 -2.077 1.00 0.00 O ATOM 749 CB ILE A 51 0.925 -6.051 0.767 1.00 0.00 C ATOM 750 CG1 ILE A 51 1.696 -5.097 1.694 1.00 0.00 C ATOM 751 CG2 ILE A 51 0.797 -7.394 1.532 1.00 0.00 C ATOM 752 CD1 ILE A 51 1.989 -3.751 1.051 1.00 0.00 C ATOM 0 H ILE A 51 0.663 -4.413 -1.148 1.00 0.00 H new ATOM 0 HA ILE A 51 2.681 -6.437 -0.486 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.053 -5.632 0.531 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.119 -4.940 2.606 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.635 -5.565 1.988 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.311 -7.221 2.492 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.201 -8.092 0.944 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.789 -7.814 1.698 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.535 -3.123 1.755 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.591 -3.899 0.155 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.051 -3.265 0.782 1.00 0.00 H new ATOM 764 N VAL A 52 1.564 -8.589 -1.072 1.00 0.00 N ATOM 765 CA VAL A 52 1.109 -9.874 -1.648 1.00 0.00 C ATOM 766 C VAL A 52 0.860 -10.783 -0.447 1.00 0.00 C ATOM 767 O VAL A 52 1.516 -10.656 0.570 1.00 0.00 O ATOM 768 CB VAL A 52 2.205 -10.454 -2.528 1.00 0.00 C ATOM 769 CG1 VAL A 52 1.771 -11.818 -3.064 1.00 0.00 C ATOM 770 CG2 VAL A 52 2.535 -9.483 -3.685 1.00 0.00 C ATOM 0 H VAL A 52 2.369 -8.679 -0.451 1.00 0.00 H new ATOM 0 HA VAL A 52 0.217 -9.762 -2.264 1.00 0.00 H new ATOM 0 HB VAL A 52 3.109 -10.588 -1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.560 -12.229 -3.694 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.584 -12.494 -2.230 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.860 -11.705 -3.651 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.321 -9.911 -4.307 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.643 -9.321 -4.289 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.874 -8.531 -3.276 1.00 0.00 H new ATOM 780 N TYR A 53 -0.079 -11.676 -0.603 1.00 0.00 N ATOM 781 CA TYR A 53 -0.404 -12.614 0.504 1.00 0.00 C ATOM 782 C TYR A 53 -1.175 -13.792 -0.061 1.00 0.00 C ATOM 783 O TYR A 53 -1.708 -13.701 -1.147 1.00 0.00 O ATOM 784 CB TYR A 53 -1.248 -11.866 1.565 1.00 0.00 C ATOM 785 CG TYR A 53 -2.630 -11.425 1.053 1.00 0.00 C ATOM 786 CD1 TYR A 53 -2.759 -10.452 0.081 1.00 0.00 C ATOM 787 CD2 TYR A 53 -3.773 -12.000 1.578 1.00 0.00 C ATOM 788 CE1 TYR A 53 -4.008 -10.067 -0.354 1.00 0.00 C ATOM 789 CE2 TYR A 53 -5.020 -11.610 1.140 1.00 0.00 C ATOM 790 CZ TYR A 53 -5.146 -10.640 0.170 1.00 0.00 C ATOM 791 OH TYR A 53 -6.392 -10.243 -0.268 1.00 0.00 O ATOM 0 H TYR A 53 -0.634 -11.795 -1.450 1.00 0.00 H new ATOM 0 HA TYR A 53 0.507 -12.982 0.975 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.380 -12.512 2.433 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.697 -10.988 1.902 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.877 -9.991 -0.339 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.687 -12.762 2.339 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.096 -9.306 -1.116 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.904 -12.068 1.560 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.083 -10.751 0.207 1.00 0.00 H new ATOM 801 N GLN A 54 -1.209 -14.869 0.676 1.00 0.00 N ATOM 802 CA GLN A 54 -1.959 -16.068 0.180 1.00 0.00 C ATOM 803 C GLN A 54 -3.479 -15.851 0.396 1.00 0.00 C ATOM 804 O GLN A 54 -3.861 -15.028 1.205 1.00 0.00 O ATOM 805 CB GLN A 54 -1.482 -17.342 0.928 1.00 0.00 C ATOM 806 CG GLN A 54 -1.139 -17.072 2.377 1.00 0.00 C ATOM 807 CD GLN A 54 -2.303 -16.397 3.101 1.00 0.00 C ATOM 808 OE1 GLN A 54 -3.294 -17.021 3.418 1.00 0.00 O ATOM 809 NE2 GLN A 54 -2.219 -15.122 3.372 1.00 0.00 N ATOM 0 H GLN A 54 -0.760 -14.975 1.585 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.766 -16.201 -0.884 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.262 -18.101 0.879 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.607 -17.750 0.421 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.891 -18.009 2.876 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.255 -16.437 2.432 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -1.386 -14.598 3.105 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.987 -14.651 3.850 1.00 0.00 H new ATOM 818 N PRO A 55 -4.316 -16.568 -0.317 1.00 0.00 N ATOM 819 CA PRO A 55 -5.787 -16.326 -0.308 1.00 0.00 C ATOM 820 C PRO A 55 -6.535 -17.003 0.867 1.00 0.00 C ATOM 821 O PRO A 55 -7.602 -17.547 0.649 1.00 0.00 O ATOM 822 CB PRO A 55 -6.238 -16.823 -1.688 1.00 0.00 C ATOM 823 CG PRO A 55 -5.185 -17.860 -2.136 1.00 0.00 C ATOM 824 CD PRO A 55 -3.950 -17.694 -1.228 1.00 0.00 C ATOM 0 HA PRO A 55 -6.026 -15.276 -0.141 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.230 -17.273 -1.635 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.299 -15.998 -2.398 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -5.585 -18.871 -2.057 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.916 -17.705 -3.181 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.740 -18.606 -0.670 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.057 -17.463 -1.808 1.00 0.00 H new ATOM 832 N HIS A 56 -6.001 -16.971 2.072 1.00 0.00 N ATOM 833 CA HIS A 56 -6.744 -17.636 3.201 1.00 0.00 C ATOM 834 C HIS A 56 -6.411 -17.224 4.656 1.00 0.00 C ATOM 835 O HIS A 56 -7.082 -17.708 5.548 1.00 0.00 O ATOM 836 CB HIS A 56 -6.561 -19.169 3.042 1.00 0.00 C ATOM 837 CG HIS A 56 -5.094 -19.545 3.175 1.00 0.00 C ATOM 838 ND1 HIS A 56 -4.361 -19.768 4.315 1.00 0.00 N flip ATOM 839 CD2 HIS A 56 -4.259 -19.728 2.205 1.00 0.00 C flip ATOM 840 CE1 HIS A 56 -3.118 -20.077 4.003 1.00 0.00 C flip ATOM 841 NE2 HIS A 56 -3.100 -20.039 2.693 1.00 0.00 N flip ATOM 0 H HIS A 56 -5.115 -16.530 2.318 1.00 0.00 H new ATOM 0 HA HIS A 56 -7.771 -17.288 3.092 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -7.147 -19.692 3.798 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -6.938 -19.488 2.070 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -4.726 -19.704 5.265 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -4.491 -19.636 1.154 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -2.303 -20.308 4.672 1.00 0.00 H new ATOM 849 N LEU A 57 -5.435 -16.376 4.900 1.00 0.00 N ATOM 850 CA LEU A 57 -5.134 -15.989 6.318 1.00 0.00 C ATOM 851 C LEU A 57 -5.976 -14.773 6.706 1.00 0.00 C ATOM 852 O LEU A 57 -6.708 -14.807 7.677 1.00 0.00 O ATOM 853 CB LEU A 57 -3.630 -15.594 6.529 1.00 0.00 C ATOM 854 CG LEU A 57 -2.736 -16.702 7.190 1.00 0.00 C ATOM 855 CD1 LEU A 57 -3.386 -17.324 8.448 1.00 0.00 C ATOM 856 CD2 LEU A 57 -2.384 -17.806 6.201 1.00 0.00 C ATOM 0 H LEU A 57 -4.843 -15.942 4.191 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.363 -16.860 6.933 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.200 -15.332 5.562 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.589 -14.699 7.149 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.822 -16.195 7.499 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.723 -18.083 8.862 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.556 -16.546 9.192 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.338 -17.782 8.177 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.765 -18.554 6.696 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.299 -18.275 5.838 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.836 -17.380 5.360 1.00 0.00 H new ATOM 868 N ILE A 58 -5.835 -13.735 5.920 1.00 0.00 N ATOM 869 CA ILE A 58 -6.585 -12.467 6.164 1.00 0.00 C ATOM 870 C ILE A 58 -6.557 -11.560 4.925 1.00 0.00 C ATOM 871 O ILE A 58 -5.727 -11.720 4.053 1.00 0.00 O ATOM 872 CB ILE A 58 -5.948 -11.742 7.394 1.00 0.00 C ATOM 873 CG1 ILE A 58 -6.705 -10.404 7.672 1.00 0.00 C ATOM 874 CG2 ILE A 58 -4.438 -11.473 7.128 1.00 0.00 C ATOM 875 CD1 ILE A 58 -6.265 -9.782 8.999 1.00 0.00 C ATOM 0 H ILE A 58 -5.221 -13.714 5.106 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.630 -12.698 6.371 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.036 -12.380 8.273 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.518 -9.702 6.859 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.779 -10.589 7.693 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.001 -10.968 7.989 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.923 -12.420 6.963 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.331 -10.843 6.245 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.810 -8.852 9.163 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.476 -10.475 9.813 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.195 -9.575 8.967 1.00 0.00 H new ATOM 887 N SER A 59 -7.479 -10.631 4.906 1.00 0.00 N ATOM 888 CA SER A 59 -7.589 -9.665 3.773 1.00 0.00 C ATOM 889 C SER A 59 -6.696 -8.467 4.059 1.00 0.00 C ATOM 890 O SER A 59 -6.957 -7.669 4.939 1.00 0.00 O ATOM 891 CB SER A 59 -9.037 -9.197 3.627 1.00 0.00 C ATOM 892 OG SER A 59 -9.773 -10.389 3.398 1.00 0.00 O ATOM 0 H SER A 59 -8.173 -10.500 5.642 1.00 0.00 H new ATOM 0 HA SER A 59 -7.278 -10.150 2.848 1.00 0.00 H new ATOM 0 HB2 SER A 59 -9.381 -8.684 4.525 1.00 0.00 H new ATOM 0 HB3 SER A 59 -9.147 -8.497 2.799 1.00 0.00 H new ATOM 0 HG SER A 59 -10.723 -10.172 3.294 1.00 0.00 H new ATOM 898 N VAL A 60 -5.652 -8.400 3.282 1.00 0.00 N ATOM 899 CA VAL A 60 -4.665 -7.296 3.409 1.00 0.00 C ATOM 900 C VAL A 60 -5.341 -5.985 3.011 1.00 0.00 C ATOM 901 O VAL A 60 -4.997 -4.926 3.495 1.00 0.00 O ATOM 902 CB VAL A 60 -3.471 -7.612 2.484 1.00 0.00 C ATOM 903 CG1 VAL A 60 -2.508 -6.409 2.402 1.00 0.00 C ATOM 904 CG2 VAL A 60 -2.721 -8.836 3.047 1.00 0.00 C ATOM 0 H VAL A 60 -5.439 -9.078 2.550 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.305 -7.199 4.433 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.842 -7.822 1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.674 -6.655 1.745 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.040 -5.544 2.006 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.129 -6.178 3.398 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.874 -9.071 2.403 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.362 -8.612 4.052 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.396 -9.691 3.085 1.00 0.00 H new ATOM 914 N GLU A 61 -6.298 -6.131 2.133 1.00 0.00 N ATOM 915 CA GLU A 61 -7.071 -4.969 1.622 1.00 0.00 C ATOM 916 C GLU A 61 -7.794 -4.253 2.775 1.00 0.00 C ATOM 917 O GLU A 61 -8.114 -3.084 2.672 1.00 0.00 O ATOM 918 CB GLU A 61 -8.055 -5.516 0.577 1.00 0.00 C ATOM 919 CG GLU A 61 -8.749 -4.353 -0.134 1.00 0.00 C ATOM 920 CD GLU A 61 -9.688 -4.906 -1.220 1.00 0.00 C ATOM 921 OE1 GLU A 61 -9.192 -5.109 -2.316 1.00 0.00 O ATOM 922 OE2 GLU A 61 -10.848 -5.093 -0.892 1.00 0.00 O ATOM 0 H GLU A 61 -6.580 -7.030 1.742 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.418 -4.226 1.165 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.525 -6.134 -0.148 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.795 -6.154 1.059 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.315 -3.759 0.584 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.007 -3.691 -0.581 1.00 0.00 H new ATOM 929 N GLU A 62 -8.025 -4.979 3.844 1.00 0.00 N ATOM 930 CA GLU A 62 -8.714 -4.398 5.024 1.00 0.00 C ATOM 931 C GLU A 62 -7.743 -3.423 5.678 1.00 0.00 C ATOM 932 O GLU A 62 -8.123 -2.334 6.065 1.00 0.00 O ATOM 933 CB GLU A 62 -9.079 -5.538 5.974 1.00 0.00 C ATOM 934 CG GLU A 62 -9.873 -5.013 7.198 1.00 0.00 C ATOM 935 CD GLU A 62 -11.131 -4.247 6.743 1.00 0.00 C ATOM 936 OE1 GLU A 62 -12.098 -4.923 6.434 1.00 0.00 O ATOM 937 OE2 GLU A 62 -11.049 -3.027 6.727 1.00 0.00 O ATOM 0 H GLU A 62 -7.760 -5.959 3.943 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.628 -3.871 4.752 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.673 -6.282 5.443 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.171 -6.038 6.313 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.161 -5.848 7.837 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.239 -4.358 7.796 1.00 0.00 H new ATOM 944 N MET A 63 -6.511 -3.855 5.780 1.00 0.00 N ATOM 945 CA MET A 63 -5.473 -2.986 6.398 1.00 0.00 C ATOM 946 C MET A 63 -5.219 -1.755 5.530 1.00 0.00 C ATOM 947 O MET A 63 -4.862 -0.708 6.034 1.00 0.00 O ATOM 948 CB MET A 63 -4.177 -3.770 6.571 1.00 0.00 C ATOM 949 CG MET A 63 -4.268 -4.659 7.821 1.00 0.00 C ATOM 950 SD MET A 63 -5.616 -5.867 7.913 1.00 0.00 S ATOM 951 CE MET A 63 -6.735 -4.926 8.981 1.00 0.00 C ATOM 0 H MET A 63 -6.184 -4.768 5.463 1.00 0.00 H new ATOM 0 HA MET A 63 -5.831 -2.658 7.374 1.00 0.00 H new ATOM 0 HB2 MET A 63 -3.993 -4.384 5.690 1.00 0.00 H new ATOM 0 HB3 MET A 63 -3.336 -3.083 6.663 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.327 -5.202 7.913 1.00 0.00 H new ATOM 0 HG3 MET A 63 -4.346 -4.006 8.690 1.00 0.00 H new ATOM 0 HE1 MET A 63 -7.554 -5.568 9.305 1.00 0.00 H new ATOM 0 HE2 MET A 63 -6.189 -4.566 9.853 1.00 0.00 H new ATOM 0 HE3 MET A 63 -7.137 -4.076 8.429 1.00 0.00 H new ATOM 961 N LYS A 64 -5.416 -1.923 4.245 1.00 0.00 N ATOM 962 CA LYS A 64 -5.204 -0.787 3.302 1.00 0.00 C ATOM 963 C LYS A 64 -6.344 0.219 3.486 1.00 0.00 C ATOM 964 O LYS A 64 -6.164 1.398 3.255 1.00 0.00 O ATOM 965 CB LYS A 64 -5.181 -1.333 1.856 1.00 0.00 C ATOM 966 CG LYS A 64 -3.998 -2.322 1.680 1.00 0.00 C ATOM 967 CD LYS A 64 -2.632 -1.597 1.814 1.00 0.00 C ATOM 968 CE LYS A 64 -1.478 -2.612 1.728 1.00 0.00 C ATOM 969 NZ LYS A 64 -1.505 -3.539 2.896 1.00 0.00 N ATOM 0 H LYS A 64 -5.714 -2.797 3.811 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.255 -0.289 3.501 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.122 -1.836 1.634 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.085 -0.509 1.149 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.068 -3.112 2.428 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.064 -2.801 0.703 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.529 -0.852 1.025 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.587 -1.064 2.764 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.557 -3.182 0.802 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.524 -2.085 1.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.882 -4.351 2.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.175 -3.037 3.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.477 -3.876 3.049 1.00 0.00 H new ATOM 983 N LYS A 65 -7.488 -0.274 3.899 1.00 0.00 N ATOM 984 CA LYS A 65 -8.658 0.611 4.117 1.00 0.00 C ATOM 985 C LYS A 65 -8.420 1.507 5.341 1.00 0.00 C ATOM 986 O LYS A 65 -8.950 2.598 5.413 1.00 0.00 O ATOM 987 CB LYS A 65 -9.893 -0.279 4.313 1.00 0.00 C ATOM 988 CG LYS A 65 -11.167 0.576 4.537 1.00 0.00 C ATOM 989 CD LYS A 65 -11.475 1.472 3.309 1.00 0.00 C ATOM 990 CE LYS A 65 -12.597 2.461 3.664 1.00 0.00 C ATOM 991 NZ LYS A 65 -12.131 3.396 4.729 1.00 0.00 N ATOM 0 H LYS A 65 -7.654 -1.261 4.094 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.812 1.265 3.259 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.028 -0.917 3.439 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.738 -0.938 5.167 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.016 -0.079 4.733 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.036 1.201 5.421 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.579 2.015 3.008 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.774 0.855 2.461 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.892 3.023 2.778 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.478 1.918 4.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.316 4.376 4.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.641 3.197 5.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.110 3.267 4.882 1.00 0.00 H new ATOM 1005 N GLN A 66 -7.633 1.015 6.267 1.00 0.00 N ATOM 1006 CA GLN A 66 -7.313 1.777 7.504 1.00 0.00 C ATOM 1007 C GLN A 66 -6.572 3.059 7.124 1.00 0.00 C ATOM 1008 O GLN A 66 -6.791 4.104 7.701 1.00 0.00 O ATOM 1009 CB GLN A 66 -6.423 0.917 8.407 1.00 0.00 C ATOM 1010 CG GLN A 66 -7.101 -0.422 8.758 1.00 0.00 C ATOM 1011 CD GLN A 66 -6.142 -1.269 9.610 1.00 0.00 C ATOM 1012 OE1 GLN A 66 -4.917 -1.454 9.197 1.00 0.00 O flip ATOM 1013 NE2 GLN A 66 -6.498 -1.772 10.657 1.00 0.00 N flip ATOM 0 H GLN A 66 -7.192 0.097 6.211 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.231 2.031 8.034 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.473 0.725 7.908 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.197 1.463 9.323 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -8.027 -0.242 9.303 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -7.366 -0.958 7.847 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -7.452 -1.635 10.990 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.843 -2.331 11.203 1.00 0.00 H new ATOM 1022 N ILE A 67 -5.711 2.910 6.149 1.00 0.00 N ATOM 1023 CA ILE A 67 -4.889 4.044 5.628 1.00 0.00 C ATOM 1024 C ILE A 67 -5.828 5.095 5.027 1.00 0.00 C ATOM 1025 O ILE A 67 -5.542 6.274 5.022 1.00 0.00 O ATOM 1026 CB ILE A 67 -3.943 3.481 4.568 1.00 0.00 C ATOM 1027 CG1 ILE A 67 -3.021 2.416 5.216 1.00 0.00 C ATOM 1028 CG2 ILE A 67 -3.114 4.620 3.957 1.00 0.00 C ATOM 1029 CD1 ILE A 67 -2.200 1.683 4.134 1.00 0.00 C ATOM 0 H ILE A 67 -5.539 2.021 5.679 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.306 4.517 6.418 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.518 3.009 3.772 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.349 2.893 5.930 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.621 1.698 5.774 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.441 4.215 3.202 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.781 5.348 3.496 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.531 5.106 4.739 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.558 0.939 4.606 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.876 1.189 3.437 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.585 2.403 3.594 1.00 0.00 H new ATOM 1041 N GLU A 68 -6.928 4.605 4.532 1.00 0.00 N ATOM 1042 CA GLU A 68 -7.960 5.480 3.911 1.00 0.00 C ATOM 1043 C GLU A 68 -8.934 6.011 4.963 1.00 0.00 C ATOM 1044 O GLU A 68 -9.544 7.047 4.777 1.00 0.00 O ATOM 1045 CB GLU A 68 -8.696 4.658 2.874 1.00 0.00 C ATOM 1046 CG GLU A 68 -7.681 4.137 1.836 1.00 0.00 C ATOM 1047 CD GLU A 68 -8.394 3.319 0.749 1.00 0.00 C ATOM 1048 OE1 GLU A 68 -8.893 3.950 -0.170 1.00 0.00 O ATOM 1049 OE2 GLU A 68 -8.400 2.107 0.897 1.00 0.00 O ATOM 0 H GLU A 68 -7.161 3.612 4.532 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.485 6.345 3.447 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.210 3.823 3.350 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.458 5.264 2.384 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.154 4.976 1.381 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.931 3.520 2.330 1.00 0.00 H new ATOM 1056 N ALA A 69 -9.040 5.278 6.040 1.00 0.00 N ATOM 1057 CA ALA A 69 -9.953 5.671 7.151 1.00 0.00 C ATOM 1058 C ALA A 69 -9.333 6.831 7.930 1.00 0.00 C ATOM 1059 O ALA A 69 -10.024 7.728 8.371 1.00 0.00 O ATOM 1060 CB ALA A 69 -10.155 4.468 8.069 1.00 0.00 C ATOM 0 H ALA A 69 -8.525 4.412 6.198 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.917 5.990 6.753 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.822 4.742 8.887 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.595 3.647 7.502 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.193 4.154 8.475 1.00 0.00 H new ATOM 1066 N MET A 70 -8.033 6.763 8.069 1.00 0.00 N ATOM 1067 CA MET A 70 -7.271 7.799 8.794 1.00 0.00 C ATOM 1068 C MET A 70 -7.126 9.081 7.959 1.00 0.00 C ATOM 1069 O MET A 70 -6.719 10.099 8.485 1.00 0.00 O ATOM 1070 CB MET A 70 -5.916 7.163 9.161 1.00 0.00 C ATOM 1071 CG MET A 70 -5.085 6.796 7.940 1.00 0.00 C ATOM 1072 SD MET A 70 -4.380 8.136 6.947 1.00 0.00 S ATOM 1073 CE MET A 70 -2.628 7.669 6.972 1.00 0.00 C ATOM 0 H MET A 70 -7.461 6.006 7.695 1.00 0.00 H new ATOM 0 HA MET A 70 -7.790 8.117 9.698 1.00 0.00 H new ATOM 0 HB2 MET A 70 -5.351 7.857 9.784 1.00 0.00 H new ATOM 0 HB3 MET A 70 -6.090 6.268 9.758 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.263 6.163 8.275 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.708 6.189 7.284 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.015 8.561 7.102 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.447 6.981 7.798 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.367 7.183 6.032 1.00 0.00 H new ATOM 1083 N GLY A 71 -7.461 8.992 6.689 1.00 0.00 N ATOM 1084 CA GLY A 71 -7.368 10.186 5.787 1.00 0.00 C ATOM 1085 C GLY A 71 -6.533 10.068 4.503 1.00 0.00 C ATOM 1086 O GLY A 71 -6.516 11.014 3.739 1.00 0.00 O ATOM 0 H GLY A 71 -7.796 8.140 6.239 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.382 10.465 5.499 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.964 11.013 6.371 1.00 0.00 H new ATOM 1090 N PHE A 72 -5.869 8.961 4.275 1.00 0.00 N ATOM 1091 CA PHE A 72 -5.044 8.817 3.030 1.00 0.00 C ATOM 1092 C PHE A 72 -5.747 7.840 2.063 1.00 0.00 C ATOM 1093 O PHE A 72 -5.510 6.650 2.154 1.00 0.00 O ATOM 1094 CB PHE A 72 -3.630 8.239 3.335 1.00 0.00 C ATOM 1095 CG PHE A 72 -2.678 9.125 4.166 1.00 0.00 C ATOM 1096 CD1 PHE A 72 -3.105 10.091 5.060 1.00 0.00 C ATOM 1097 CD2 PHE A 72 -1.315 8.932 4.012 1.00 0.00 C ATOM 1098 CE1 PHE A 72 -2.194 10.837 5.776 1.00 0.00 C ATOM 1099 CE2 PHE A 72 -0.406 9.677 4.726 1.00 0.00 C ATOM 1100 CZ PHE A 72 -0.846 10.632 5.611 1.00 0.00 C ATOM 0 H PHE A 72 -5.861 8.151 4.895 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.937 9.810 2.593 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.757 7.292 3.860 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.143 8.015 2.386 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -4.162 10.262 5.198 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.960 8.183 3.319 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -2.542 11.587 6.471 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.653 9.512 4.591 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.135 11.219 6.174 1.00 0.00 H new ATOM 1110 N PRO A 73 -6.585 8.326 1.169 1.00 0.00 N ATOM 1111 CA PRO A 73 -7.158 7.475 0.089 1.00 0.00 C ATOM 1112 C PRO A 73 -6.040 6.721 -0.635 1.00 0.00 C ATOM 1113 O PRO A 73 -5.035 7.292 -1.016 1.00 0.00 O ATOM 1114 CB PRO A 73 -7.908 8.404 -0.846 1.00 0.00 C ATOM 1115 CG PRO A 73 -7.788 9.826 -0.271 1.00 0.00 C ATOM 1116 CD PRO A 73 -7.079 9.731 1.093 1.00 0.00 C ATOM 0 HA PRO A 73 -7.836 6.720 0.487 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.488 8.359 -1.851 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.954 8.108 -0.924 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.223 10.465 -0.950 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.775 10.275 -0.157 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.257 10.444 1.162 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.764 9.954 1.911 1.00 0.00 H new ATOM 1124 N ALA A 74 -6.283 5.451 -0.791 1.00 0.00 N ATOM 1125 CA ALA A 74 -5.316 4.546 -1.469 1.00 0.00 C ATOM 1126 C ALA A 74 -5.981 4.046 -2.740 1.00 0.00 C ATOM 1127 O ALA A 74 -6.736 3.092 -2.758 1.00 0.00 O ATOM 1128 CB ALA A 74 -4.974 3.405 -0.500 1.00 0.00 C ATOM 0 H ALA A 74 -7.134 4.991 -0.468 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.385 5.045 -1.738 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.265 2.726 -0.974 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.531 3.818 0.406 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.883 2.860 -0.244 1.00 0.00 H new ATOM 1134 N PHE A 75 -5.638 4.768 -3.772 1.00 0.00 N ATOM 1135 CA PHE A 75 -6.147 4.505 -5.152 1.00 0.00 C ATOM 1136 C PHE A 75 -5.721 3.109 -5.631 1.00 0.00 C ATOM 1137 O PHE A 75 -4.622 2.919 -6.113 1.00 0.00 O ATOM 1138 CB PHE A 75 -5.586 5.606 -6.080 1.00 0.00 C ATOM 1139 CG PHE A 75 -5.816 6.985 -5.426 1.00 0.00 C ATOM 1140 CD1 PHE A 75 -7.097 7.441 -5.165 1.00 0.00 C ATOM 1141 CD2 PHE A 75 -4.738 7.783 -5.082 1.00 0.00 C ATOM 1142 CE1 PHE A 75 -7.294 8.669 -4.568 1.00 0.00 C ATOM 1143 CE2 PHE A 75 -4.936 9.011 -4.485 1.00 0.00 C ATOM 1144 CZ PHE A 75 -6.214 9.455 -4.227 1.00 0.00 C ATOM 0 H PHE A 75 -5.000 5.562 -3.713 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.237 4.528 -5.164 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -4.522 5.445 -6.253 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -6.077 5.564 -7.052 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -7.948 6.831 -5.431 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.733 7.441 -5.283 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -8.297 9.016 -4.367 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.088 9.625 -4.220 1.00 0.00 H new ATOM 0 HZ PHE A 75 -6.370 10.416 -3.759 1.00 0.00 H new ATOM 1154 N VAL A 76 -6.626 2.173 -5.476 1.00 0.00 N ATOM 1155 CA VAL A 76 -6.360 0.759 -5.893 1.00 0.00 C ATOM 1156 C VAL A 76 -6.083 0.693 -7.405 1.00 0.00 C ATOM 1157 O VAL A 76 -6.541 1.532 -8.157 1.00 0.00 O ATOM 1158 CB VAL A 76 -7.600 -0.115 -5.534 1.00 0.00 C ATOM 1159 CG1 VAL A 76 -7.307 -1.612 -5.809 1.00 0.00 C ATOM 1160 CG2 VAL A 76 -7.983 0.062 -4.045 1.00 0.00 C ATOM 0 H VAL A 76 -7.550 2.330 -5.073 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.482 0.382 -5.368 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.431 0.213 -6.159 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.183 -2.207 -5.553 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.071 -1.749 -6.864 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.460 -1.934 -5.203 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.851 -0.557 -3.816 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -7.146 -0.240 -3.416 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.223 1.108 -3.853 1.00 0.00 H new ATOM 1170 N LYS A 77 -5.338 -0.312 -7.792 1.00 0.00 N ATOM 1171 CA LYS A 77 -4.976 -0.513 -9.231 1.00 0.00 C ATOM 1172 C LYS A 77 -5.099 -1.987 -9.622 1.00 0.00 C ATOM 1173 O LYS A 77 -5.649 -2.300 -10.660 1.00 0.00 O ATOM 1174 CB LYS A 77 -3.529 -0.029 -9.449 1.00 0.00 C ATOM 1175 CG LYS A 77 -3.470 1.484 -9.181 1.00 0.00 C ATOM 1176 CD LYS A 77 -2.044 2.000 -9.384 1.00 0.00 C ATOM 1177 CE LYS A 77 -2.062 3.519 -9.205 1.00 0.00 C ATOM 1178 NZ LYS A 77 -0.686 4.067 -9.355 1.00 0.00 N ATOM 0 H LYS A 77 -4.958 -1.016 -7.159 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.661 0.059 -9.857 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.849 -0.558 -8.781 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.208 -0.245 -10.468 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -4.153 2.007 -9.851 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -3.799 1.694 -8.163 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.366 1.539 -8.665 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.681 1.737 -10.378 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.725 3.972 -9.942 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.458 3.773 -8.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.736 5.095 -9.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.137 3.868 -8.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.222 3.622 -10.172 1.00 0.00 H new ATOM 1192 N LYS A 78 -4.582 -2.845 -8.777 1.00 0.00 N ATOM 1193 CA LYS A 78 -4.642 -4.307 -9.049 1.00 0.00 C ATOM 1194 C LYS A 78 -6.115 -4.749 -9.032 1.00 0.00 C ATOM 1195 O LYS A 78 -6.734 -4.815 -7.987 1.00 0.00 O ATOM 1196 CB LYS A 78 -3.823 -5.048 -7.960 1.00 0.00 C ATOM 1197 CG LYS A 78 -3.505 -6.515 -8.366 1.00 0.00 C ATOM 1198 CD LYS A 78 -4.771 -7.405 -8.437 1.00 0.00 C ATOM 1199 CE LYS A 78 -4.377 -8.854 -8.765 1.00 0.00 C ATOM 1200 NZ LYS A 78 -5.601 -9.697 -8.858 1.00 0.00 N ATOM 0 H LYS A 78 -4.118 -2.589 -7.905 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.218 -4.544 -10.025 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.891 -4.512 -7.780 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.379 -5.044 -7.023 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.008 -6.519 -9.336 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.805 -6.943 -7.648 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.304 -7.370 -7.487 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.452 -7.023 -9.198 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.828 -8.888 -9.706 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.713 -9.244 -7.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.332 -10.677 -9.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.108 -9.674 -7.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.219 -9.329 -9.609 1.00 0.00 H new ATOM 1214 N GLN A 79 -6.619 -5.034 -10.207 1.00 0.00 N ATOM 1215 CA GLN A 79 -8.036 -5.481 -10.358 1.00 0.00 C ATOM 1216 C GLN A 79 -8.268 -6.171 -11.721 1.00 0.00 C ATOM 1217 O GLN A 79 -8.809 -7.260 -11.719 1.00 0.00 O ATOM 1218 CB GLN A 79 -8.967 -4.220 -10.161 1.00 0.00 C ATOM 1219 CG GLN A 79 -10.463 -4.520 -10.455 1.00 0.00 C ATOM 1220 CD GLN A 79 -10.715 -4.649 -11.966 1.00 0.00 C ATOM 1221 OE1 GLN A 79 -10.445 -3.749 -12.737 1.00 0.00 O ATOM 1222 NE2 GLN A 79 -11.232 -5.754 -12.430 1.00 0.00 N ATOM 0 H GLN A 79 -6.098 -4.974 -11.082 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.277 -6.230 -9.603 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.869 -3.859 -9.137 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.627 -3.418 -10.816 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.757 -5.442 -9.954 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -11.084 -3.723 -10.046 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -11.463 -6.516 -11.793 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.405 -5.855 -13.430 1.00 0.00 H new ATOM 1231 N PRO A 80 -7.885 -5.582 -12.840 1.00 0.00 N ATOM 1232 CA PRO A 80 -8.142 -6.185 -14.178 1.00 0.00 C ATOM 1233 C PRO A 80 -6.986 -7.151 -14.498 1.00 0.00 C ATOM 1234 O PRO A 80 -7.076 -8.332 -14.228 1.00 0.00 O ATOM 1235 CB PRO A 80 -8.236 -4.990 -15.124 1.00 0.00 C ATOM 1236 CG PRO A 80 -7.448 -3.848 -14.443 1.00 0.00 C ATOM 1237 CD PRO A 80 -7.162 -4.279 -12.987 1.00 0.00 C ATOM 0 HA PRO A 80 -9.054 -6.778 -14.253 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.812 -5.230 -16.099 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -9.275 -4.703 -15.289 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.516 -3.656 -14.975 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.023 -2.922 -14.462 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -6.093 -4.395 -12.809 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.526 -3.539 -12.274 1.00 0.00 H new ATOM 1245 N LYS A 81 -5.939 -6.599 -15.061 1.00 0.00 N ATOM 1246 CA LYS A 81 -4.721 -7.379 -15.442 1.00 0.00 C ATOM 1247 C LYS A 81 -3.638 -6.399 -15.934 1.00 0.00 C ATOM 1248 O LYS A 81 -2.897 -6.684 -16.855 1.00 0.00 O ATOM 1249 CB LYS A 81 -5.091 -8.403 -16.561 1.00 0.00 C ATOM 1250 CG LYS A 81 -5.737 -7.691 -17.776 1.00 0.00 C ATOM 1251 CD LYS A 81 -6.118 -8.716 -18.871 1.00 0.00 C ATOM 1252 CE LYS A 81 -4.855 -9.349 -19.490 1.00 0.00 C ATOM 1253 NZ LYS A 81 -5.246 -10.281 -20.585 1.00 0.00 N ATOM 0 H LYS A 81 -5.878 -5.604 -15.279 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.338 -7.930 -14.583 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.196 -8.936 -16.881 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.780 -9.148 -16.163 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.625 -7.147 -17.455 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.043 -6.956 -18.184 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.749 -9.495 -18.443 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.703 -8.224 -19.649 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.199 -8.570 -19.879 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.293 -9.886 -18.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.393 -10.706 -21.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.855 -11.032 -20.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.764 -9.757 -21.319 1.00 0.00 H new ATOM 1267 N TYR A 82 -3.594 -5.261 -15.281 1.00 0.00 N ATOM 1268 CA TYR A 82 -2.609 -4.183 -15.612 1.00 0.00 C ATOM 1269 C TYR A 82 -2.686 -3.737 -17.083 1.00 0.00 C ATOM 1270 O TYR A 82 -1.733 -3.832 -17.833 1.00 0.00 O ATOM 1271 CB TYR A 82 -1.184 -4.707 -15.260 1.00 0.00 C ATOM 1272 CG TYR A 82 -1.079 -4.837 -13.733 1.00 0.00 C ATOM 1273 CD1 TYR A 82 -1.548 -5.959 -13.075 1.00 0.00 C ATOM 1274 CD2 TYR A 82 -0.511 -3.820 -12.995 1.00 0.00 C ATOM 1275 CE1 TYR A 82 -1.452 -6.056 -11.702 1.00 0.00 C ATOM 1276 CE2 TYR A 82 -0.414 -3.919 -11.626 1.00 0.00 C ATOM 1277 CZ TYR A 82 -0.883 -5.036 -10.967 1.00 0.00 C ATOM 1278 OH TYR A 82 -0.786 -5.126 -9.594 1.00 0.00 O ATOM 0 H TYR A 82 -4.220 -5.029 -14.509 1.00 0.00 H new ATOM 0 HA TYR A 82 -2.848 -3.297 -15.024 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -1.006 -5.671 -15.736 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -0.424 -4.021 -15.635 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -1.993 -6.765 -13.640 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -0.139 -2.938 -13.496 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.825 -6.936 -11.199 1.00 0.00 H new ATOM 0 HE2 TYR A 82 0.034 -3.114 -11.062 1.00 0.00 H new ATOM 0 HH TYR A 82 0.000 -4.627 -9.288 1.00 0.00 H new ATOM 1288 N LEU A 83 -3.851 -3.256 -17.437 1.00 0.00 N ATOM 1289 CA LEU A 83 -4.104 -2.773 -18.830 1.00 0.00 C ATOM 1290 C LEU A 83 -3.678 -1.303 -18.915 1.00 0.00 C ATOM 1291 O LEU A 83 -2.801 -0.958 -19.683 1.00 0.00 O ATOM 1292 CB LEU A 83 -5.610 -2.913 -19.153 1.00 0.00 C ATOM 1293 CG LEU A 83 -6.057 -4.400 -19.102 1.00 0.00 C ATOM 1294 CD1 LEU A 83 -7.591 -4.470 -19.257 1.00 0.00 C ATOM 1295 CD2 LEU A 83 -5.411 -5.191 -20.269 1.00 0.00 C ATOM 0 H LEU A 83 -4.651 -3.176 -16.809 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.536 -3.362 -19.550 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.194 -2.330 -18.441 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.813 -2.503 -20.142 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.746 -4.831 -18.151 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.913 -5.511 -19.222 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.064 -3.916 -18.446 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.881 -4.032 -20.212 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -5.731 -6.232 -20.224 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.722 -4.757 -21.219 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.325 -5.141 -20.185 1.00 0.00 H new ATOM 1307 N LYS A 84 -4.326 -0.492 -18.112 1.00 0.00 N ATOM 1308 CA LYS A 84 -4.047 0.980 -18.054 1.00 0.00 C ATOM 1309 C LYS A 84 -4.066 1.618 -19.468 1.00 0.00 C ATOM 1310 O LYS A 84 -5.179 1.776 -19.941 1.00 0.00 O ATOM 1311 CB LYS A 84 -2.664 1.165 -17.345 1.00 0.00 C ATOM 1312 CG LYS A 84 -2.751 0.603 -15.903 1.00 0.00 C ATOM 1313 CD LYS A 84 -1.388 0.720 -15.175 1.00 0.00 C ATOM 1314 CE LYS A 84 -0.305 -0.136 -15.869 1.00 0.00 C ATOM 1315 NZ LYS A 84 -0.746 -1.557 -15.956 1.00 0.00 N ATOM 1316 OXT LYS A 84 -3.007 1.909 -20.004 1.00 0.00 O ATOM 0 H LYS A 84 -5.060 -0.800 -17.474 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.825 1.494 -17.489 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.884 0.648 -17.903 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.392 2.220 -17.321 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.513 1.145 -15.344 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.061 -0.441 -15.935 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.072 1.763 -15.155 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.498 0.400 -14.139 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.109 0.253 -16.868 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.630 -0.072 -15.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.079 -2.183 -15.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.422 -1.758 -15.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.203 -1.723 -16.875 1.00 0.00 H new TER 1330 LYS A 84