USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 809 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 15 THR OG1 : rot 32:sc= 0.00284 USER MOD Set 1.2: A 96 TYR OH : rot 30:sc= -0.117 USER MOD Set 2.1: A 18 SER OG : rot 180:sc= -0.378 USER MOD Set 2.2: A 25 THR OG1 : rot 138:sc= 0.68 USER MOD Set 2.3: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 47 CYS SG : rot 180:sc= -1.18 USER MOD Set 3.2: A 51 THR OG1 : rot 35:sc= -1.78 USER MOD Set 4.1: A 22 THR OG1 : rot 180:sc= -0.389 USER MOD Set 4.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 6 SER OG : rot -150:sc= -0.0556 USER MOD Set 5.2: A 8 THR OG1 : rot 180:sc= -0.666 USER MOD Set 5.3: A 86 ASN : amide:sc= -3.44 K(o=-4.2,f=-7.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.0541 USER MOD Single : A 26 MET CE :methyl 144:sc= -1.85 (180deg=-4.75!) USER MOD Single : A 33 HIS : no HD1:sc= -0.0805 X(o=-0.08,f=-0.047) USER MOD Single : A 42 TYR OH : rot 90:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -3.07 K(o=-3.1,f=-7.1!) USER MOD Single : A 59 LYS NZ :NH3+ -152:sc= -0.233 (180deg=-1.34!) USER MOD Single : A 64 LYS NZ :NH3+ -156:sc= -0.0932 (180deg=-0.52) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00726 USER MOD Single : A 66 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0772) USER MOD Single : A 70 THR OG1 : rot 35:sc= 0.0364 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -162:sc= -0.448 (180deg=-1.35!) USER MOD Single : A 83 LYS NZ :NH3+ -137:sc= 0.0264 (180deg=-0.422) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= -0.049 USER MOD Single : A 98 GLN : amide:sc= -0.0617 X(o=-0.062,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.363 -13.466 -1.719 1.00 0.00 N ATOM 2 CA GLY A 1 -15.308 -12.828 -2.485 1.00 0.00 C ATOM 3 C GLY A 1 -15.532 -12.935 -3.981 1.00 0.00 C ATOM 4 O GLY A 1 -15.546 -14.033 -4.536 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.164 -13.365 -0.703 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.274 -13.015 -1.940 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.408 -14.476 -1.965 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.244 -11.777 -2.204 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.351 -13.284 -2.230 1.00 0.00 H new ATOM 8 N SER A 2 -15.710 -11.791 -4.634 1.00 0.00 N ATOM 9 CA SER A 2 -15.941 -11.760 -6.073 1.00 0.00 C ATOM 10 C SER A 2 -15.714 -10.358 -6.630 1.00 0.00 C ATOM 11 O SER A 2 -15.725 -9.375 -5.890 1.00 0.00 O ATOM 12 CB SER A 2 -17.363 -12.225 -6.393 1.00 0.00 C ATOM 13 OG SER A 2 -18.320 -11.476 -5.665 1.00 0.00 O ATOM 0 H SER A 2 -15.699 -10.873 -4.189 1.00 0.00 H new ATOM 0 HA SER A 2 -15.230 -12.438 -6.545 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.551 -12.121 -7.462 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.466 -13.283 -6.153 1.00 0.00 H new ATOM 0 HG SER A 2 -19.221 -11.791 -5.888 1.00 0.00 H new ATOM 19 N SER A 3 -15.510 -10.275 -7.941 1.00 0.00 N ATOM 20 CA SER A 3 -15.277 -8.994 -8.598 1.00 0.00 C ATOM 21 C SER A 3 -16.558 -8.167 -8.646 1.00 0.00 C ATOM 22 O SER A 3 -17.286 -8.185 -9.637 1.00 0.00 O ATOM 23 CB SER A 3 -14.745 -9.213 -10.016 1.00 0.00 C ATOM 24 OG SER A 3 -13.347 -9.442 -10.006 1.00 0.00 O ATOM 0 H SER A 3 -15.501 -11.079 -8.569 1.00 0.00 H new ATOM 0 HA SER A 3 -14.533 -8.447 -8.019 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.253 -10.063 -10.471 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.970 -8.341 -10.631 1.00 0.00 H new ATOM 0 HG SER A 3 -13.032 -9.581 -10.923 1.00 0.00 H new ATOM 30 N GLY A 4 -16.827 -7.441 -7.564 1.00 0.00 N ATOM 31 CA GLY A 4 -18.020 -6.617 -7.502 1.00 0.00 C ATOM 32 C GLY A 4 -17.987 -5.636 -6.347 1.00 0.00 C ATOM 33 O GLY A 4 -16.925 -5.355 -5.792 1.00 0.00 O ATOM 0 H GLY A 4 -16.240 -7.409 -6.730 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.128 -6.068 -8.438 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.896 -7.258 -7.405 1.00 0.00 H new ATOM 37 N SER A 5 -19.153 -5.112 -5.985 1.00 0.00 N ATOM 38 CA SER A 5 -19.253 -4.152 -4.891 1.00 0.00 C ATOM 39 C SER A 5 -19.215 -4.860 -3.541 1.00 0.00 C ATOM 40 O SER A 5 -19.624 -6.015 -3.421 1.00 0.00 O ATOM 41 CB SER A 5 -20.543 -3.337 -5.016 1.00 0.00 C ATOM 42 OG SER A 5 -20.611 -2.679 -6.269 1.00 0.00 O ATOM 0 H SER A 5 -20.042 -5.336 -6.433 1.00 0.00 H new ATOM 0 HA SER A 5 -18.398 -3.479 -4.952 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.405 -3.994 -4.900 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.592 -2.602 -4.213 1.00 0.00 H new ATOM 0 HG SER A 5 -21.445 -2.167 -6.325 1.00 0.00 H new ATOM 48 N SER A 6 -18.720 -4.159 -2.526 1.00 0.00 N ATOM 49 CA SER A 6 -18.623 -4.721 -1.184 1.00 0.00 C ATOM 50 C SER A 6 -19.512 -3.955 -0.209 1.00 0.00 C ATOM 51 O SER A 6 -20.408 -4.526 0.411 1.00 0.00 O ATOM 52 CB SER A 6 -17.172 -4.693 -0.699 1.00 0.00 C ATOM 53 OG SER A 6 -16.692 -3.363 -0.604 1.00 0.00 O ATOM 0 H SER A 6 -18.380 -3.201 -2.608 1.00 0.00 H new ATOM 0 HA SER A 6 -18.964 -5.755 -1.225 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.101 -5.179 0.274 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.545 -5.261 -1.386 1.00 0.00 H new ATOM 0 HG SER A 6 -15.726 -3.352 -0.767 1.00 0.00 H new ATOM 59 N GLY A 7 -19.256 -2.657 -0.079 1.00 0.00 N ATOM 60 CA GLY A 7 -20.040 -1.832 0.822 1.00 0.00 C ATOM 61 C GLY A 7 -19.308 -0.573 1.241 1.00 0.00 C ATOM 62 O GLY A 7 -19.840 0.532 1.126 1.00 0.00 O ATOM 0 H GLY A 7 -18.519 -2.162 -0.582 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.977 -1.559 0.337 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.297 -2.411 1.709 1.00 0.00 H new ATOM 66 N THR A 8 -18.082 -0.737 1.730 1.00 0.00 N ATOM 67 CA THR A 8 -17.277 0.395 2.170 1.00 0.00 C ATOM 68 C THR A 8 -16.516 1.015 1.003 1.00 0.00 C ATOM 69 O THR A 8 -16.235 0.347 0.008 1.00 0.00 O ATOM 70 CB THR A 8 -16.272 -0.021 3.261 1.00 0.00 C ATOM 71 OG1 THR A 8 -15.600 -1.225 2.874 1.00 0.00 O ATOM 72 CG2 THR A 8 -16.976 -0.232 4.593 1.00 0.00 C ATOM 0 H THR A 8 -17.626 -1.644 1.831 1.00 0.00 H new ATOM 0 HA THR A 8 -17.966 1.132 2.583 1.00 0.00 H new ATOM 0 HB THR A 8 -15.542 0.780 3.377 1.00 0.00 H new ATOM 0 HG1 THR A 8 -14.962 -1.482 3.572 1.00 0.00 H new ATOM 0 HG21 THR A 8 -16.246 -0.525 5.348 1.00 0.00 H new ATOM 0 HG22 THR A 8 -17.462 0.695 4.899 1.00 0.00 H new ATOM 0 HG23 THR A 8 -17.725 -1.017 4.488 1.00 0.00 H new ATOM 80 N SER A 9 -16.184 2.295 1.133 1.00 0.00 N ATOM 81 CA SER A 9 -15.457 3.006 0.087 1.00 0.00 C ATOM 82 C SER A 9 -13.969 2.677 0.140 1.00 0.00 C ATOM 83 O SER A 9 -13.406 2.395 1.199 1.00 0.00 O ATOM 84 CB SER A 9 -15.663 4.515 0.230 1.00 0.00 C ATOM 85 OG SER A 9 -16.822 4.940 -0.465 1.00 0.00 O ATOM 0 H SER A 9 -16.406 2.861 1.952 1.00 0.00 H new ATOM 0 HA SER A 9 -15.848 2.683 -0.878 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.752 4.775 1.285 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.790 5.042 -0.155 1.00 0.00 H new ATOM 0 HG SER A 9 -16.932 5.908 -0.356 1.00 0.00 H new ATOM 91 N PRO A 10 -13.313 2.713 -1.029 1.00 0.00 N ATOM 92 CA PRO A 10 -11.881 2.422 -1.144 1.00 0.00 C ATOM 93 C PRO A 10 -11.017 3.508 -0.514 1.00 0.00 C ATOM 94 O PRO A 10 -11.438 4.653 -0.350 1.00 0.00 O ATOM 95 CB PRO A 10 -11.651 2.364 -2.656 1.00 0.00 C ATOM 96 CG PRO A 10 -12.732 3.209 -3.236 1.00 0.00 C ATOM 97 CD PRO A 10 -13.920 3.041 -2.330 1.00 0.00 C ATOM 0 HA PRO A 10 -11.608 1.504 -0.623 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.665 2.745 -2.921 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.707 1.340 -3.026 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.425 4.254 -3.288 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.969 2.896 -4.253 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.517 3.952 -2.277 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.581 2.247 -2.677 1.00 0.00 H new ATOM 105 N PRO A 11 -9.777 3.144 -0.153 1.00 0.00 N ATOM 106 CA PRO A 11 -8.827 4.074 0.464 1.00 0.00 C ATOM 107 C PRO A 11 -8.335 5.135 -0.516 1.00 0.00 C ATOM 108 O PRO A 11 -7.743 4.815 -1.547 1.00 0.00 O ATOM 109 CB PRO A 11 -7.672 3.167 0.895 1.00 0.00 C ATOM 110 CG PRO A 11 -7.748 1.996 -0.022 1.00 0.00 C ATOM 111 CD PRO A 11 -9.208 1.796 -0.319 1.00 0.00 C ATOM 0 HA PRO A 11 -9.277 4.632 1.285 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.713 3.678 0.806 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.776 2.862 1.936 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.185 2.180 -0.937 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.319 1.108 0.443 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.364 1.415 -1.328 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.663 1.080 0.366 1.00 0.00 H new ATOM 119 N THR A 12 -8.584 6.399 -0.187 1.00 0.00 N ATOM 120 CA THR A 12 -8.167 7.506 -1.038 1.00 0.00 C ATOM 121 C THR A 12 -6.912 8.177 -0.491 1.00 0.00 C ATOM 122 O THR A 12 -6.369 7.761 0.533 1.00 0.00 O ATOM 123 CB THR A 12 -9.282 8.560 -1.174 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.565 9.141 0.104 1.00 0.00 O ATOM 125 CG2 THR A 12 -10.547 7.939 -1.746 1.00 0.00 C ATOM 0 H THR A 12 -9.072 6.681 0.663 1.00 0.00 H new ATOM 0 HA THR A 12 -7.952 7.086 -2.021 1.00 0.00 H new ATOM 0 HB THR A 12 -8.937 9.336 -1.857 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.274 9.811 0.009 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.320 8.703 -1.833 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.335 7.524 -2.731 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.894 7.145 -1.085 1.00 0.00 H new ATOM 133 N LEU A 13 -6.455 9.217 -1.180 1.00 0.00 N ATOM 134 CA LEU A 13 -5.264 9.947 -0.763 1.00 0.00 C ATOM 135 C LEU A 13 -4.068 9.009 -0.632 1.00 0.00 C ATOM 136 O LEU A 13 -3.366 9.018 0.380 1.00 0.00 O ATOM 137 CB LEU A 13 -5.516 10.658 0.568 1.00 0.00 C ATOM 138 CG LEU A 13 -6.328 11.952 0.494 1.00 0.00 C ATOM 139 CD1 LEU A 13 -6.813 12.358 1.877 1.00 0.00 C ATOM 140 CD2 LEU A 13 -5.500 13.066 -0.130 1.00 0.00 C ATOM 0 H LEU A 13 -6.892 9.573 -2.030 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.038 10.690 -1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.032 9.967 1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.552 10.883 1.025 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.199 11.776 -0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.389 13.281 1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.443 11.569 2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.956 12.516 2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.094 13.979 -0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.610 13.241 0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.202 12.777 -1.138 1.00 0.00 H new ATOM 152 N LEU A 14 -3.841 8.202 -1.662 1.00 0.00 N ATOM 153 CA LEU A 14 -2.728 7.258 -1.664 1.00 0.00 C ATOM 154 C LEU A 14 -1.434 7.944 -2.089 1.00 0.00 C ATOM 155 O LEU A 14 -1.284 8.354 -3.241 1.00 0.00 O ATOM 156 CB LEU A 14 -3.029 6.086 -2.600 1.00 0.00 C ATOM 157 CG LEU A 14 -2.160 4.841 -2.418 1.00 0.00 C ATOM 158 CD1 LEU A 14 -0.864 4.977 -3.201 1.00 0.00 C ATOM 159 CD2 LEU A 14 -1.872 4.603 -0.943 1.00 0.00 C ATOM 0 H LEU A 14 -4.412 8.182 -2.507 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.601 6.881 -0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.072 5.799 -2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.923 6.432 -3.628 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.706 3.980 -2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.258 4.082 -3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.090 5.099 -4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.313 5.848 -2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.252 3.713 -0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.346 5.465 -0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.811 4.461 -0.407 1.00 0.00 H new ATOM 171 N THR A 15 -0.498 8.063 -1.153 1.00 0.00 N ATOM 172 CA THR A 15 0.784 8.697 -1.430 1.00 0.00 C ATOM 173 C THR A 15 1.897 8.077 -0.592 1.00 0.00 C ATOM 174 O THR A 15 1.642 7.480 0.453 1.00 0.00 O ATOM 175 CB THR A 15 0.733 10.212 -1.154 1.00 0.00 C ATOM 176 OG1 THR A 15 1.821 10.867 -1.816 1.00 0.00 O ATOM 177 CG2 THR A 15 0.799 10.493 0.339 1.00 0.00 C ATOM 0 H THR A 15 -0.604 7.728 -0.195 1.00 0.00 H new ATOM 0 HA THR A 15 0.995 8.534 -2.487 1.00 0.00 H new ATOM 0 HB THR A 15 -0.211 10.597 -1.538 1.00 0.00 H new ATOM 0 HG1 THR A 15 2.039 10.386 -2.642 1.00 0.00 H new ATOM 0 HG21 THR A 15 0.761 11.569 0.509 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.046 10.017 0.836 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.729 10.094 0.744 1.00 0.00 H new ATOM 185 N VAL A 16 3.134 8.223 -1.058 1.00 0.00 N ATOM 186 CA VAL A 16 4.286 7.679 -0.351 1.00 0.00 C ATOM 187 C VAL A 16 4.737 8.613 0.766 1.00 0.00 C ATOM 188 O VAL A 16 5.226 9.714 0.509 1.00 0.00 O ATOM 189 CB VAL A 16 5.468 7.433 -1.308 1.00 0.00 C ATOM 190 CG1 VAL A 16 6.507 6.536 -0.654 1.00 0.00 C ATOM 191 CG2 VAL A 16 4.977 6.830 -2.615 1.00 0.00 C ATOM 0 H VAL A 16 3.363 8.714 -1.922 1.00 0.00 H new ATOM 0 HA VAL A 16 3.972 6.728 0.079 1.00 0.00 H new ATOM 0 HB VAL A 16 5.939 8.391 -1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.334 6.374 -1.345 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.880 7.012 0.253 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.053 5.578 -0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.825 6.663 -3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.481 5.881 -2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.273 7.514 -3.090 1.00 0.00 H new ATOM 201 N ASP A 17 4.571 8.168 2.006 1.00 0.00 N ATOM 202 CA ASP A 17 4.962 8.963 3.164 1.00 0.00 C ATOM 203 C ASP A 17 6.464 9.233 3.155 1.00 0.00 C ATOM 204 O ASP A 17 6.902 10.367 3.349 1.00 0.00 O ATOM 205 CB ASP A 17 4.567 8.249 4.458 1.00 0.00 C ATOM 206 CG ASP A 17 4.708 9.139 5.677 1.00 0.00 C ATOM 207 OD1 ASP A 17 4.235 10.294 5.626 1.00 0.00 O ATOM 208 OD2 ASP A 17 5.293 8.682 6.681 1.00 0.00 O ATOM 0 H ASP A 17 4.168 7.260 2.236 1.00 0.00 H new ATOM 0 HA ASP A 17 4.439 9.918 3.112 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.535 7.906 4.380 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.189 7.363 4.585 1.00 0.00 H new ATOM 213 N SER A 18 7.247 8.183 2.930 1.00 0.00 N ATOM 214 CA SER A 18 8.700 8.306 2.901 1.00 0.00 C ATOM 215 C SER A 18 9.329 7.138 2.147 1.00 0.00 C ATOM 216 O SER A 18 8.702 6.094 1.962 1.00 0.00 O ATOM 217 CB SER A 18 9.256 8.367 4.325 1.00 0.00 C ATOM 218 OG SER A 18 8.678 7.364 5.142 1.00 0.00 O ATOM 0 H SER A 18 6.900 7.238 2.765 1.00 0.00 H new ATOM 0 HA SER A 18 8.952 9.230 2.380 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.339 8.242 4.302 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.058 9.349 4.754 1.00 0.00 H new ATOM 0 HG SER A 18 9.051 7.423 6.046 1.00 0.00 H new ATOM 224 N VAL A 19 10.572 7.321 1.715 1.00 0.00 N ATOM 225 CA VAL A 19 11.288 6.284 0.982 1.00 0.00 C ATOM 226 C VAL A 19 12.737 6.184 1.445 1.00 0.00 C ATOM 227 O VAL A 19 13.424 7.195 1.595 1.00 0.00 O ATOM 228 CB VAL A 19 11.262 6.549 -0.535 1.00 0.00 C ATOM 229 CG1 VAL A 19 12.323 5.719 -1.241 1.00 0.00 C ATOM 230 CG2 VAL A 19 9.881 6.258 -1.103 1.00 0.00 C ATOM 0 H VAL A 19 11.105 8.179 1.860 1.00 0.00 H new ATOM 0 HA VAL A 19 10.779 5.343 1.187 1.00 0.00 H new ATOM 0 HB VAL A 19 11.486 7.602 -0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.289 5.920 -2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.307 5.981 -0.854 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.134 4.660 -1.064 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.881 6.451 -2.176 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.626 5.214 -0.922 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.146 6.901 -0.619 1.00 0.00 H new ATOM 240 N THR A 20 13.198 4.958 1.669 1.00 0.00 N ATOM 241 CA THR A 20 14.565 4.725 2.116 1.00 0.00 C ATOM 242 C THR A 20 15.119 3.428 1.537 1.00 0.00 C ATOM 243 O THR A 20 14.461 2.388 1.577 1.00 0.00 O ATOM 244 CB THR A 20 14.652 4.667 3.653 1.00 0.00 C ATOM 245 OG1 THR A 20 13.731 5.598 4.231 1.00 0.00 O ATOM 246 CG2 THR A 20 16.063 4.980 4.127 1.00 0.00 C ATOM 0 H THR A 20 12.644 4.110 1.548 1.00 0.00 H new ATOM 0 HA THR A 20 15.162 5.564 1.758 1.00 0.00 H new ATOM 0 HB THR A 20 14.395 3.657 3.972 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.791 5.554 5.208 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.100 4.933 5.215 1.00 0.00 H new ATOM 0 HG22 THR A 20 16.757 4.251 3.709 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.344 5.980 3.797 1.00 0.00 H new ATOM 254 N ASP A 21 16.333 3.496 1.001 1.00 0.00 N ATOM 255 CA ASP A 21 16.976 2.326 0.415 1.00 0.00 C ATOM 256 C ASP A 21 16.662 1.071 1.224 1.00 0.00 C ATOM 257 O ASP A 21 16.553 -0.025 0.673 1.00 0.00 O ATOM 258 CB ASP A 21 18.490 2.534 0.341 1.00 0.00 C ATOM 259 CG ASP A 21 19.173 2.299 1.674 1.00 0.00 C ATOM 260 OD1 ASP A 21 18.859 3.028 2.637 1.00 0.00 O ATOM 261 OD2 ASP A 21 20.021 1.386 1.753 1.00 0.00 O ATOM 0 H ASP A 21 16.891 4.349 0.960 1.00 0.00 H new ATOM 0 HA ASP A 21 16.585 2.194 -0.594 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.911 1.858 -0.403 1.00 0.00 H new ATOM 0 HB3 ASP A 21 18.698 3.549 0.003 1.00 0.00 H new ATOM 266 N THR A 22 16.518 1.238 2.535 1.00 0.00 N ATOM 267 CA THR A 22 16.218 0.120 3.420 1.00 0.00 C ATOM 268 C THR A 22 14.785 -0.364 3.228 1.00 0.00 C ATOM 269 O THR A 22 14.546 -1.548 2.986 1.00 0.00 O ATOM 270 CB THR A 22 16.426 0.502 4.897 1.00 0.00 C ATOM 271 OG1 THR A 22 15.442 1.462 5.298 1.00 0.00 O ATOM 272 CG2 THR A 22 17.818 1.072 5.119 1.00 0.00 C ATOM 0 H THR A 22 16.604 2.138 3.007 1.00 0.00 H new ATOM 0 HA THR A 22 16.907 -0.683 3.160 1.00 0.00 H new ATOM 0 HB THR A 22 16.320 -0.400 5.500 1.00 0.00 H new ATOM 0 HG1 THR A 22 15.580 1.698 6.239 1.00 0.00 H new ATOM 0 HG21 THR A 22 17.940 1.334 6.170 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.564 0.328 4.841 1.00 0.00 H new ATOM 0 HG23 THR A 22 17.948 1.963 4.505 1.00 0.00 H new ATOM 280 N THR A 23 13.834 0.558 3.337 1.00 0.00 N ATOM 281 CA THR A 23 12.425 0.225 3.176 1.00 0.00 C ATOM 282 C THR A 23 11.629 1.426 2.678 1.00 0.00 C ATOM 283 O THR A 23 12.133 2.549 2.649 1.00 0.00 O ATOM 284 CB THR A 23 11.810 -0.271 4.498 1.00 0.00 C ATOM 285 OG1 THR A 23 11.891 0.757 5.492 1.00 0.00 O ATOM 286 CG2 THR A 23 12.526 -1.519 4.993 1.00 0.00 C ATOM 0 H THR A 23 14.015 1.542 3.536 1.00 0.00 H new ATOM 0 HA THR A 23 12.372 -0.574 2.437 1.00 0.00 H new ATOM 0 HB THR A 23 10.764 -0.519 4.316 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.496 0.434 6.329 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.074 -1.851 5.928 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.438 -2.309 4.247 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.579 -1.292 5.159 1.00 0.00 H new ATOM 294 N VAL A 24 10.382 1.183 2.287 1.00 0.00 N ATOM 295 CA VAL A 24 9.515 2.246 1.792 1.00 0.00 C ATOM 296 C VAL A 24 8.285 2.409 2.677 1.00 0.00 C ATOM 297 O VAL A 24 7.734 1.430 3.181 1.00 0.00 O ATOM 298 CB VAL A 24 9.062 1.972 0.346 1.00 0.00 C ATOM 299 CG1 VAL A 24 10.265 1.792 -0.567 1.00 0.00 C ATOM 300 CG2 VAL A 24 8.156 0.752 0.294 1.00 0.00 C ATOM 0 H VAL A 24 9.949 0.259 2.303 1.00 0.00 H new ATOM 0 HA VAL A 24 10.098 3.167 1.814 1.00 0.00 H new ATOM 0 HB VAL A 24 8.495 2.833 -0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.924 1.599 -1.584 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.871 2.698 -0.553 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.863 0.950 -0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.845 0.573 -0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.696 -0.118 0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.276 0.926 0.914 1.00 0.00 H new ATOM 310 N THR A 25 7.856 3.654 2.862 1.00 0.00 N ATOM 311 CA THR A 25 6.690 3.946 3.686 1.00 0.00 C ATOM 312 C THR A 25 5.529 4.451 2.837 1.00 0.00 C ATOM 313 O THR A 25 5.729 5.175 1.863 1.00 0.00 O ATOM 314 CB THR A 25 7.015 4.995 4.767 1.00 0.00 C ATOM 315 OG1 THR A 25 8.241 4.656 5.425 1.00 0.00 O ATOM 316 CG2 THR A 25 5.892 5.084 5.789 1.00 0.00 C ATOM 0 H THR A 25 8.299 4.476 2.452 1.00 0.00 H new ATOM 0 HA THR A 25 6.403 3.012 4.170 1.00 0.00 H new ATOM 0 HB THR A 25 7.120 5.965 4.281 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.778 5.466 5.554 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.144 5.831 6.542 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.967 5.370 5.289 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.760 4.115 6.269 1.00 0.00 H new ATOM 324 N MET A 26 4.315 4.064 3.215 1.00 0.00 N ATOM 325 CA MET A 26 3.120 4.479 2.488 1.00 0.00 C ATOM 326 C MET A 26 2.070 5.038 3.443 1.00 0.00 C ATOM 327 O MET A 26 2.113 4.782 4.646 1.00 0.00 O ATOM 328 CB MET A 26 2.539 3.302 1.704 1.00 0.00 C ATOM 329 CG MET A 26 3.409 2.858 0.539 1.00 0.00 C ATOM 330 SD MET A 26 3.679 4.172 -0.667 1.00 0.00 S ATOM 331 CE MET A 26 2.246 3.962 -1.721 1.00 0.00 C ATOM 0 H MET A 26 4.133 3.464 4.020 1.00 0.00 H new ATOM 0 HA MET A 26 3.405 5.265 1.789 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.396 2.460 2.381 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.554 3.578 1.327 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.372 2.516 0.919 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.941 2.007 0.045 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.897 4.938 -2.060 1.00 0.00 H new ATOM 0 HE2 MET A 26 2.515 3.353 -2.584 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.452 3.467 -1.161 1.00 0.00 H new ATOM 341 N ARG A 27 1.128 5.801 2.898 1.00 0.00 N ATOM 342 CA ARG A 27 0.068 6.397 3.702 1.00 0.00 C ATOM 343 C ARG A 27 -1.209 6.561 2.883 1.00 0.00 C ATOM 344 O ARG A 27 -1.180 7.086 1.770 1.00 0.00 O ATOM 345 CB ARG A 27 0.514 7.754 4.249 1.00 0.00 C ATOM 346 CG ARG A 27 0.485 8.867 3.214 1.00 0.00 C ATOM 347 CD ARG A 27 1.171 10.123 3.727 1.00 0.00 C ATOM 348 NE ARG A 27 0.456 10.716 4.855 1.00 0.00 N ATOM 349 CZ ARG A 27 -0.727 11.310 4.744 1.00 0.00 C ATOM 350 NH1 ARG A 27 -1.324 11.390 3.563 1.00 0.00 N ATOM 351 NH2 ARG A 27 -1.314 11.825 5.816 1.00 0.00 N ATOM 0 H ARG A 27 1.077 6.021 1.903 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.140 5.728 4.537 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.130 8.029 5.084 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.526 7.662 4.644 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.977 8.530 2.302 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.548 9.096 2.953 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.190 9.881 4.030 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.243 10.852 2.920 1.00 0.00 H new ATOM 0 HE ARG A 27 0.889 10.671 5.778 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.875 10.995 2.737 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.232 11.847 3.481 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.857 11.765 6.726 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -2.222 12.281 5.730 1.00 0.00 H new ATOM 365 N TRP A 28 -2.326 6.110 3.441 1.00 0.00 N ATOM 366 CA TRP A 28 -3.613 6.206 2.761 1.00 0.00 C ATOM 367 C TRP A 28 -4.683 6.754 3.699 1.00 0.00 C ATOM 368 O TRP A 28 -4.489 6.810 4.913 1.00 0.00 O ATOM 369 CB TRP A 28 -4.036 4.836 2.229 1.00 0.00 C ATOM 370 CG TRP A 28 -4.210 3.808 3.306 1.00 0.00 C ATOM 371 CD1 TRP A 28 -5.293 3.653 4.123 1.00 0.00 C ATOM 372 CD2 TRP A 28 -3.271 2.795 3.683 1.00 0.00 C ATOM 373 NE1 TRP A 28 -5.084 2.604 4.986 1.00 0.00 N ATOM 374 CE2 TRP A 28 -3.852 2.061 4.736 1.00 0.00 C ATOM 375 CE3 TRP A 28 -1.999 2.435 3.233 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -3.201 0.990 5.343 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -1.354 1.372 3.837 1.00 0.00 C ATOM 378 CH2 TRP A 28 -1.956 0.660 4.882 1.00 0.00 C ATOM 0 H TRP A 28 -2.367 5.674 4.362 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.503 6.894 1.923 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.973 4.940 1.682 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.289 4.484 1.518 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.183 4.265 4.095 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.740 2.282 5.697 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.527 2.978 2.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.663 0.439 6.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.370 1.086 3.497 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.427 -0.166 5.333 1.00 0.00 H new ATOM 389 N ARG A 29 -5.814 7.157 3.128 1.00 0.00 N ATOM 390 CA ARG A 29 -6.915 7.701 3.913 1.00 0.00 C ATOM 391 C ARG A 29 -8.138 6.791 3.839 1.00 0.00 C ATOM 392 O ARG A 29 -8.471 6.243 2.788 1.00 0.00 O ATOM 393 CB ARG A 29 -7.278 9.103 3.419 1.00 0.00 C ATOM 394 CG ARG A 29 -8.534 9.669 4.062 1.00 0.00 C ATOM 395 CD ARG A 29 -8.202 10.517 5.280 1.00 0.00 C ATOM 396 NE ARG A 29 -9.277 10.502 6.267 1.00 0.00 N ATOM 397 CZ ARG A 29 -9.247 11.199 7.397 1.00 0.00 C ATOM 398 NH1 ARG A 29 -8.202 11.963 7.681 1.00 0.00 N ATOM 399 NH2 ARG A 29 -10.265 11.133 8.246 1.00 0.00 N ATOM 0 H ARG A 29 -5.991 7.117 2.124 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.592 7.762 4.952 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.444 9.776 3.617 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.415 9.074 2.338 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.077 10.272 3.334 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.194 8.852 4.355 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.284 10.149 5.738 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.012 11.543 4.966 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.096 9.924 6.079 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.418 12.017 7.031 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.182 12.497 8.550 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -11.071 10.547 8.031 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.241 11.669 9.114 1.00 0.00 H new ATOM 413 N PRO A 30 -8.822 6.625 4.981 1.00 0.00 N ATOM 414 CA PRO A 30 -10.018 5.783 5.071 1.00 0.00 C ATOM 415 C PRO A 30 -11.208 6.383 4.330 1.00 0.00 C ATOM 416 O PRO A 30 -11.197 7.547 3.930 1.00 0.00 O ATOM 417 CB PRO A 30 -10.298 5.725 6.575 1.00 0.00 C ATOM 418 CG PRO A 30 -9.690 6.970 7.122 1.00 0.00 C ATOM 419 CD PRO A 30 -8.482 7.248 6.271 1.00 0.00 C ATOM 0 HA PRO A 30 -9.863 4.806 4.614 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.368 5.685 6.777 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.855 4.837 7.026 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.396 7.800 7.081 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.410 6.841 8.167 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.303 8.318 6.165 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.579 6.814 6.701 1.00 0.00 H new ATOM 427 N PRO A 31 -12.259 5.572 4.142 1.00 0.00 N ATOM 428 CA PRO A 31 -13.477 6.003 3.449 1.00 0.00 C ATOM 429 C PRO A 31 -14.279 7.015 4.260 1.00 0.00 C ATOM 430 O PRO A 31 -14.538 6.810 5.446 1.00 0.00 O ATOM 431 CB PRO A 31 -14.269 4.703 3.283 1.00 0.00 C ATOM 432 CG PRO A 31 -13.789 3.824 4.385 1.00 0.00 C ATOM 433 CD PRO A 31 -12.341 4.172 4.592 1.00 0.00 C ATOM 0 HA PRO A 31 -13.254 6.506 2.508 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -15.342 4.881 3.357 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -14.088 4.251 2.308 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -14.364 3.991 5.296 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.904 2.772 4.123 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.048 4.068 5.637 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.685 3.524 4.011 1.00 0.00 H new ATOM 441 N ASP A 32 -14.669 8.108 3.613 1.00 0.00 N ATOM 442 CA ASP A 32 -15.442 9.153 4.274 1.00 0.00 C ATOM 443 C ASP A 32 -16.491 8.547 5.202 1.00 0.00 C ATOM 444 O ASP A 32 -16.766 9.080 6.278 1.00 0.00 O ATOM 445 CB ASP A 32 -16.119 10.050 3.237 1.00 0.00 C ATOM 446 CG ASP A 32 -15.161 11.058 2.631 1.00 0.00 C ATOM 447 OD1 ASP A 32 -13.989 10.696 2.397 1.00 0.00 O ATOM 448 OD2 ASP A 32 -15.584 12.208 2.391 1.00 0.00 O ATOM 0 H ASP A 32 -14.462 8.293 2.631 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.757 9.755 4.871 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -16.540 9.431 2.445 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.950 10.578 3.705 1.00 0.00 H new ATOM 453 N HIS A 33 -17.075 7.431 4.778 1.00 0.00 N ATOM 454 CA HIS A 33 -18.095 6.753 5.571 1.00 0.00 C ATOM 455 C HIS A 33 -17.904 5.240 5.521 1.00 0.00 C ATOM 456 O HIS A 33 -17.308 4.710 4.583 1.00 0.00 O ATOM 457 CB HIS A 33 -19.491 7.120 5.066 1.00 0.00 C ATOM 458 CG HIS A 33 -20.581 6.820 6.049 1.00 0.00 C ATOM 459 ND1 HIS A 33 -20.967 7.701 7.036 1.00 0.00 N ATOM 460 CD2 HIS A 33 -21.369 5.729 6.191 1.00 0.00 C ATOM 461 CE1 HIS A 33 -21.945 7.165 7.744 1.00 0.00 C ATOM 462 NE2 HIS A 33 -22.208 5.968 7.251 1.00 0.00 N ATOM 0 H HIS A 33 -16.860 6.977 3.890 1.00 0.00 H new ATOM 0 HA HIS A 33 -17.994 7.081 6.606 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -19.513 8.183 4.824 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -19.688 6.578 4.141 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -21.343 4.836 5.584 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -22.444 7.627 8.583 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -22.919 5.326 7.601 1.00 0.00 H new ATOM 471 N ILE A 34 -18.413 4.551 6.537 1.00 0.00 N ATOM 472 CA ILE A 34 -18.299 3.100 6.608 1.00 0.00 C ATOM 473 C ILE A 34 -19.610 2.425 6.219 1.00 0.00 C ATOM 474 O ILE A 34 -20.623 2.571 6.902 1.00 0.00 O ATOM 475 CB ILE A 34 -17.896 2.635 8.021 1.00 0.00 C ATOM 476 CG1 ILE A 34 -16.533 3.216 8.402 1.00 0.00 C ATOM 477 CG2 ILE A 34 -17.869 1.116 8.091 1.00 0.00 C ATOM 478 CD1 ILE A 34 -15.381 2.614 7.629 1.00 0.00 C ATOM 0 H ILE A 34 -18.908 4.974 7.322 1.00 0.00 H new ATOM 0 HA ILE A 34 -17.520 2.811 5.902 1.00 0.00 H new ATOM 0 HB ILE A 34 -18.637 2.998 8.733 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -16.547 4.293 8.236 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -16.366 3.060 9.468 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -17.583 0.803 9.095 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -18.858 0.723 7.857 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -17.146 0.731 7.371 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -14.447 3.074 7.952 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -15.340 1.541 7.814 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -15.525 2.793 6.563 1.00 0.00 H new ATOM 490 N GLY A 35 -19.583 1.683 5.115 1.00 0.00 N ATOM 491 CA GLY A 35 -20.774 0.996 4.654 1.00 0.00 C ATOM 492 C GLY A 35 -21.465 0.227 5.763 1.00 0.00 C ATOM 493 O GLY A 35 -20.987 0.193 6.896 1.00 0.00 O ATOM 0 H GLY A 35 -18.757 1.546 4.533 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -21.469 1.722 4.232 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -20.506 0.309 3.852 1.00 0.00 H new ATOM 497 N ALA A 36 -22.596 -0.391 5.436 1.00 0.00 N ATOM 498 CA ALA A 36 -23.354 -1.163 6.413 1.00 0.00 C ATOM 499 C ALA A 36 -22.594 -2.417 6.831 1.00 0.00 C ATOM 500 O ALA A 36 -22.365 -2.649 8.018 1.00 0.00 O ATOM 501 CB ALA A 36 -24.718 -1.534 5.849 1.00 0.00 C ATOM 0 H ALA A 36 -23.007 -0.372 4.503 1.00 0.00 H new ATOM 0 HA ALA A 36 -23.495 -0.543 7.298 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -25.273 -2.110 6.589 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -25.271 -0.626 5.607 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -24.588 -2.132 4.947 1.00 0.00 H new ATOM 507 N ALA A 37 -22.205 -3.223 5.848 1.00 0.00 N ATOM 508 CA ALA A 37 -21.470 -4.453 6.115 1.00 0.00 C ATOM 509 C ALA A 37 -20.364 -4.221 7.138 1.00 0.00 C ATOM 510 O ALA A 37 -20.048 -5.102 7.936 1.00 0.00 O ATOM 511 CB ALA A 37 -20.888 -5.010 4.824 1.00 0.00 C ATOM 0 H ALA A 37 -22.387 -3.046 4.860 1.00 0.00 H new ATOM 0 HA ALA A 37 -22.167 -5.180 6.531 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -20.342 -5.929 5.038 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -21.695 -5.223 4.123 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -20.210 -4.278 4.385 1.00 0.00 H new ATOM 517 N GLY A 38 -19.778 -3.028 7.109 1.00 0.00 N ATOM 518 CA GLY A 38 -18.713 -2.702 8.039 1.00 0.00 C ATOM 519 C GLY A 38 -17.336 -2.878 7.429 1.00 0.00 C ATOM 520 O GLY A 38 -17.112 -3.795 6.639 1.00 0.00 O ATOM 0 H GLY A 38 -20.022 -2.282 6.458 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -18.830 -1.671 8.373 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.799 -3.335 8.922 1.00 0.00 H new ATOM 524 N LEU A 39 -16.411 -1.997 7.795 1.00 0.00 N ATOM 525 CA LEU A 39 -15.049 -2.058 7.277 1.00 0.00 C ATOM 526 C LEU A 39 -14.163 -2.916 8.175 1.00 0.00 C ATOM 527 O LEU A 39 -14.290 -2.887 9.399 1.00 0.00 O ATOM 528 CB LEU A 39 -14.463 -0.650 7.160 1.00 0.00 C ATOM 529 CG LEU A 39 -12.943 -0.565 7.017 1.00 0.00 C ATOM 530 CD1 LEU A 39 -12.526 -0.836 5.580 1.00 0.00 C ATOM 531 CD2 LEU A 39 -12.440 0.797 7.472 1.00 0.00 C ATOM 0 H LEU A 39 -16.580 -1.232 8.448 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.083 -2.514 6.288 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.917 -0.160 6.299 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.757 -0.081 8.042 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.494 -1.327 7.654 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.441 -0.771 5.498 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.853 -1.834 5.288 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.985 -0.097 4.923 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.356 0.840 7.363 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -12.897 1.576 6.862 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.706 0.952 8.518 1.00 0.00 H new ATOM 543 N ASP A 40 -13.266 -3.678 7.559 1.00 0.00 N ATOM 544 CA ASP A 40 -12.357 -4.542 8.302 1.00 0.00 C ATOM 545 C ASP A 40 -10.911 -4.300 7.880 1.00 0.00 C ATOM 546 O ASP A 40 -10.463 -4.799 6.848 1.00 0.00 O ATOM 547 CB ASP A 40 -12.725 -6.011 8.087 1.00 0.00 C ATOM 548 CG ASP A 40 -14.111 -6.342 8.604 1.00 0.00 C ATOM 549 OD1 ASP A 40 -14.607 -5.609 9.485 1.00 0.00 O ATOM 550 OD2 ASP A 40 -14.700 -7.334 8.127 1.00 0.00 O ATOM 0 H ASP A 40 -13.149 -3.715 6.546 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.453 -4.303 9.361 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.672 -6.244 7.024 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.993 -6.643 8.589 1.00 0.00 H new ATOM 555 N GLY A 41 -10.185 -3.529 8.685 1.00 0.00 N ATOM 556 CA GLY A 41 -8.798 -3.233 8.377 1.00 0.00 C ATOM 557 C GLY A 41 -8.572 -2.989 6.898 1.00 0.00 C ATOM 558 O GLY A 41 -9.513 -2.700 6.158 1.00 0.00 O ATOM 0 H GLY A 41 -10.533 -3.104 9.545 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.484 -2.354 8.939 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.171 -4.062 8.705 1.00 0.00 H new ATOM 562 N TYR A 42 -7.321 -3.103 6.466 1.00 0.00 N ATOM 563 CA TYR A 42 -6.973 -2.888 5.066 1.00 0.00 C ATOM 564 C TYR A 42 -5.885 -3.860 4.620 1.00 0.00 C ATOM 565 O TYR A 42 -5.111 -4.361 5.436 1.00 0.00 O ATOM 566 CB TYR A 42 -6.506 -1.448 4.851 1.00 0.00 C ATOM 567 CG TYR A 42 -7.254 -0.436 5.689 1.00 0.00 C ATOM 568 CD1 TYR A 42 -7.077 -0.379 7.066 1.00 0.00 C ATOM 569 CD2 TYR A 42 -8.139 0.461 5.104 1.00 0.00 C ATOM 570 CE1 TYR A 42 -7.759 0.543 7.836 1.00 0.00 C ATOM 571 CE2 TYR A 42 -8.824 1.388 5.866 1.00 0.00 C ATOM 572 CZ TYR A 42 -8.631 1.424 7.232 1.00 0.00 C ATOM 573 OH TYR A 42 -9.313 2.345 7.994 1.00 0.00 O ATOM 0 H TYR A 42 -6.531 -3.343 7.065 1.00 0.00 H new ATOM 0 HA TYR A 42 -7.864 -3.068 4.464 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -5.443 -1.382 5.081 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.621 -1.191 3.798 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.395 -1.067 7.542 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -8.294 0.433 4.036 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -7.610 0.574 8.905 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -9.506 2.080 5.395 1.00 0.00 H new ATOM 0 HH TYR A 42 -8.785 3.168 8.062 1.00 0.00 H new ATOM 583 N VAL A 43 -5.833 -4.122 3.318 1.00 0.00 N ATOM 584 CA VAL A 43 -4.840 -5.033 2.761 1.00 0.00 C ATOM 585 C VAL A 43 -3.938 -4.317 1.762 1.00 0.00 C ATOM 586 O VAL A 43 -4.413 -3.580 0.897 1.00 0.00 O ATOM 587 CB VAL A 43 -5.507 -6.234 2.064 1.00 0.00 C ATOM 588 CG1 VAL A 43 -4.463 -7.100 1.377 1.00 0.00 C ATOM 589 CG2 VAL A 43 -6.314 -7.048 3.064 1.00 0.00 C ATOM 0 H VAL A 43 -6.467 -3.716 2.629 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.239 -5.395 3.595 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.189 -5.858 1.302 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.953 -7.943 0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.933 -6.508 0.631 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.753 -7.470 2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.779 -7.893 2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.655 -7.416 3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.088 -6.419 3.504 1.00 0.00 H new ATOM 599 N LEU A 44 -2.634 -4.539 1.886 1.00 0.00 N ATOM 600 CA LEU A 44 -1.663 -3.916 0.993 1.00 0.00 C ATOM 601 C LEU A 44 -0.716 -4.957 0.405 1.00 0.00 C ATOM 602 O LEU A 44 -0.187 -5.804 1.124 1.00 0.00 O ATOM 603 CB LEU A 44 -0.864 -2.848 1.742 1.00 0.00 C ATOM 604 CG LEU A 44 -0.069 -1.872 0.873 1.00 0.00 C ATOM 605 CD1 LEU A 44 0.103 -0.541 1.587 1.00 0.00 C ATOM 606 CD2 LEU A 44 1.285 -2.463 0.510 1.00 0.00 C ATOM 0 H LEU A 44 -2.225 -5.146 2.596 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.209 -3.446 0.175 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.554 -2.274 2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.171 -3.349 2.418 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.626 -1.698 -0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.671 0.141 0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.877 -0.111 1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.638 -0.697 2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.837 -1.755 -0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.849 -2.666 1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.140 -3.391 -0.042 1.00 0.00 H new ATOM 618 N GLU A 45 -0.507 -4.886 -0.906 1.00 0.00 N ATOM 619 CA GLU A 45 0.378 -5.823 -1.589 1.00 0.00 C ATOM 620 C GLU A 45 1.306 -5.089 -2.553 1.00 0.00 C ATOM 621 O GLU A 45 0.975 -4.016 -3.056 1.00 0.00 O ATOM 622 CB GLU A 45 -0.440 -6.870 -2.348 1.00 0.00 C ATOM 623 CG GLU A 45 -1.727 -7.264 -1.644 1.00 0.00 C ATOM 624 CD GLU A 45 -2.900 -6.387 -2.038 1.00 0.00 C ATOM 625 OE1 GLU A 45 -2.905 -5.197 -1.660 1.00 0.00 O ATOM 626 OE2 GLU A 45 -3.812 -6.891 -2.726 1.00 0.00 O ATOM 0 H GLU A 45 -0.938 -4.191 -1.516 1.00 0.00 H new ATOM 0 HA GLU A 45 0.987 -6.324 -0.836 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.681 -6.483 -3.338 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.171 -7.760 -2.494 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.961 -8.303 -1.877 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.580 -7.204 -0.566 1.00 0.00 H new ATOM 633 N TYR A 46 2.471 -5.677 -2.805 1.00 0.00 N ATOM 634 CA TYR A 46 3.449 -5.079 -3.706 1.00 0.00 C ATOM 635 C TYR A 46 3.977 -6.110 -4.699 1.00 0.00 C ATOM 636 O TYR A 46 4.361 -7.217 -4.317 1.00 0.00 O ATOM 637 CB TYR A 46 4.610 -4.482 -2.909 1.00 0.00 C ATOM 638 CG TYR A 46 5.599 -5.513 -2.415 1.00 0.00 C ATOM 639 CD1 TYR A 46 5.265 -6.393 -1.393 1.00 0.00 C ATOM 640 CD2 TYR A 46 6.869 -5.608 -2.972 1.00 0.00 C ATOM 641 CE1 TYR A 46 6.166 -7.336 -0.939 1.00 0.00 C ATOM 642 CE2 TYR A 46 7.776 -6.549 -2.525 1.00 0.00 C ATOM 643 CZ TYR A 46 7.420 -7.410 -1.508 1.00 0.00 C ATOM 644 OH TYR A 46 8.321 -8.349 -1.059 1.00 0.00 O ATOM 0 H TYR A 46 2.760 -6.566 -2.398 1.00 0.00 H new ATOM 0 HA TYR A 46 2.953 -4.285 -4.264 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.134 -3.758 -3.533 1.00 0.00 H new ATOM 0 HB3 TYR A 46 4.210 -3.936 -2.055 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.283 -6.339 -0.946 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.151 -4.935 -3.768 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.890 -8.012 -0.143 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.758 -6.610 -2.969 1.00 0.00 H new ATOM 0 HH TYR A 46 9.156 -8.269 -1.565 1.00 0.00 H new ATOM 654 N CYS A 47 3.994 -5.740 -5.974 1.00 0.00 N ATOM 655 CA CYS A 47 4.474 -6.631 -7.024 1.00 0.00 C ATOM 656 C CYS A 47 5.856 -6.205 -7.509 1.00 0.00 C ATOM 657 O CYS A 47 5.994 -5.224 -8.240 1.00 0.00 O ATOM 658 CB CYS A 47 3.492 -6.649 -8.196 1.00 0.00 C ATOM 659 SG CYS A 47 3.912 -7.837 -9.492 1.00 0.00 S ATOM 0 H CYS A 47 3.681 -4.828 -6.306 1.00 0.00 H new ATOM 0 HA CYS A 47 4.549 -7.635 -6.607 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.496 -6.877 -7.818 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.446 -5.652 -8.633 1.00 0.00 H new ATOM 0 HG CYS A 47 3.023 -7.779 -10.438 1.00 0.00 H new ATOM 665 N PHE A 48 6.878 -6.948 -7.095 1.00 0.00 N ATOM 666 CA PHE A 48 8.250 -6.645 -7.486 1.00 0.00 C ATOM 667 C PHE A 48 8.354 -6.439 -8.994 1.00 0.00 C ATOM 668 O PHE A 48 7.383 -6.635 -9.725 1.00 0.00 O ATOM 669 CB PHE A 48 9.187 -7.772 -7.048 1.00 0.00 C ATOM 670 CG PHE A 48 10.581 -7.306 -6.736 1.00 0.00 C ATOM 671 CD1 PHE A 48 10.825 -6.495 -5.639 1.00 0.00 C ATOM 672 CD2 PHE A 48 11.646 -7.678 -7.539 1.00 0.00 C ATOM 673 CE1 PHE A 48 12.106 -6.065 -5.349 1.00 0.00 C ATOM 674 CE2 PHE A 48 12.929 -7.251 -7.254 1.00 0.00 C ATOM 675 CZ PHE A 48 13.159 -6.442 -6.158 1.00 0.00 C ATOM 0 H PHE A 48 6.782 -7.763 -6.490 1.00 0.00 H new ATOM 0 HA PHE A 48 8.547 -5.721 -6.990 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.770 -8.259 -6.167 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.232 -8.524 -7.836 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.005 -6.196 -5.003 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.472 -8.309 -8.398 1.00 0.00 H new ATOM 0 HE1 PHE A 48 12.283 -5.435 -4.490 1.00 0.00 H new ATOM 0 HE2 PHE A 48 13.751 -7.549 -7.888 1.00 0.00 H new ATOM 0 HZ PHE A 48 14.161 -6.105 -5.935 1.00 0.00 H new ATOM 685 N GLU A 49 9.537 -6.043 -9.451 1.00 0.00 N ATOM 686 CA GLU A 49 9.767 -5.810 -10.872 1.00 0.00 C ATOM 687 C GLU A 49 9.953 -7.128 -11.617 1.00 0.00 C ATOM 688 O GLU A 49 10.720 -7.991 -11.193 1.00 0.00 O ATOM 689 CB GLU A 49 10.996 -4.920 -11.073 1.00 0.00 C ATOM 690 CG GLU A 49 12.243 -5.439 -10.376 1.00 0.00 C ATOM 691 CD GLU A 49 13.499 -4.704 -10.804 1.00 0.00 C ATOM 692 OE1 GLU A 49 14.018 -5.004 -11.899 1.00 0.00 O ATOM 693 OE2 GLU A 49 13.961 -3.828 -10.043 1.00 0.00 O ATOM 0 H GLU A 49 10.351 -5.877 -8.859 1.00 0.00 H new ATOM 0 HA GLU A 49 8.890 -5.305 -11.277 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.198 -4.829 -12.140 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.774 -3.919 -10.704 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.119 -5.341 -9.297 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.358 -6.502 -10.589 1.00 0.00 H new ATOM 700 N GLY A 50 9.243 -7.276 -12.732 1.00 0.00 N ATOM 701 CA GLY A 50 9.343 -8.492 -13.519 1.00 0.00 C ATOM 702 C GLY A 50 8.469 -9.606 -12.977 1.00 0.00 C ATOM 703 O GLY A 50 8.029 -10.480 -13.724 1.00 0.00 O ATOM 0 H GLY A 50 8.601 -6.576 -13.104 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.058 -8.279 -14.549 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.381 -8.825 -13.538 1.00 0.00 H new ATOM 707 N THR A 51 8.217 -9.577 -11.672 1.00 0.00 N ATOM 708 CA THR A 51 7.393 -10.594 -11.030 1.00 0.00 C ATOM 709 C THR A 51 5.956 -10.535 -11.534 1.00 0.00 C ATOM 710 O THR A 51 5.276 -9.521 -11.378 1.00 0.00 O ATOM 711 CB THR A 51 7.396 -10.433 -9.498 1.00 0.00 C ATOM 712 OG1 THR A 51 7.500 -9.048 -9.150 1.00 0.00 O ATOM 713 CG2 THR A 51 8.548 -11.206 -8.875 1.00 0.00 C ATOM 0 H THR A 51 8.572 -8.860 -11.039 1.00 0.00 H new ATOM 0 HA THR A 51 7.825 -11.561 -11.287 1.00 0.00 H new ATOM 0 HB THR A 51 6.459 -10.834 -9.111 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.016 -8.508 -9.809 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.529 -11.077 -7.793 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.449 -12.264 -9.116 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.493 -10.831 -9.269 1.00 0.00 H new ATOM 721 N GLU A 52 5.500 -11.628 -12.137 1.00 0.00 N ATOM 722 CA GLU A 52 4.142 -11.699 -12.663 1.00 0.00 C ATOM 723 C GLU A 52 3.160 -12.136 -11.580 1.00 0.00 C ATOM 724 O GLU A 52 2.039 -12.551 -11.873 1.00 0.00 O ATOM 725 CB GLU A 52 4.079 -12.669 -13.845 1.00 0.00 C ATOM 726 CG GLU A 52 4.484 -14.090 -13.488 1.00 0.00 C ATOM 727 CD GLU A 52 4.765 -14.941 -14.711 1.00 0.00 C ATOM 728 OE1 GLU A 52 4.014 -14.821 -15.702 1.00 0.00 O ATOM 729 OE2 GLU A 52 5.736 -15.725 -14.678 1.00 0.00 O ATOM 0 H GLU A 52 6.050 -12.476 -12.273 1.00 0.00 H new ATOM 0 HA GLU A 52 3.860 -10.703 -13.004 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.064 -12.678 -14.243 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.730 -12.303 -14.639 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.372 -14.063 -12.857 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.691 -14.554 -12.902 1.00 0.00 H new ATOM 736 N ASP A 53 3.590 -12.040 -10.326 1.00 0.00 N ATOM 737 CA ASP A 53 2.751 -12.424 -9.198 1.00 0.00 C ATOM 738 C ASP A 53 2.895 -11.430 -8.050 1.00 0.00 C ATOM 739 O ASP A 53 4.007 -11.105 -7.634 1.00 0.00 O ATOM 740 CB ASP A 53 3.114 -13.831 -8.720 1.00 0.00 C ATOM 741 CG ASP A 53 3.453 -14.762 -9.867 1.00 0.00 C ATOM 742 OD1 ASP A 53 4.537 -14.599 -10.463 1.00 0.00 O ATOM 743 OD2 ASP A 53 2.632 -15.655 -10.169 1.00 0.00 O ATOM 0 H ASP A 53 4.516 -11.699 -10.066 1.00 0.00 H new ATOM 0 HA ASP A 53 1.713 -12.419 -9.531 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.964 -13.773 -8.040 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.280 -14.246 -8.153 1.00 0.00 H new ATOM 748 N TRP A 54 1.764 -10.951 -7.544 1.00 0.00 N ATOM 749 CA TRP A 54 1.765 -9.993 -6.444 1.00 0.00 C ATOM 750 C TRP A 54 2.263 -10.641 -5.157 1.00 0.00 C ATOM 751 O TRP A 54 2.112 -11.848 -4.961 1.00 0.00 O ATOM 752 CB TRP A 54 0.360 -9.426 -6.234 1.00 0.00 C ATOM 753 CG TRP A 54 -0.020 -8.390 -7.248 1.00 0.00 C ATOM 754 CD1 TRP A 54 -0.623 -8.606 -8.454 1.00 0.00 C ATOM 755 CD2 TRP A 54 0.179 -6.976 -7.144 1.00 0.00 C ATOM 756 NE1 TRP A 54 -0.811 -7.411 -9.106 1.00 0.00 N ATOM 757 CE2 TRP A 54 -0.328 -6.396 -8.324 1.00 0.00 C ATOM 758 CE3 TRP A 54 0.735 -6.142 -6.169 1.00 0.00 C ATOM 759 CZ2 TRP A 54 -0.294 -5.023 -8.552 1.00 0.00 C ATOM 760 CZ3 TRP A 54 0.768 -4.780 -6.398 1.00 0.00 C ATOM 761 CH2 TRP A 54 0.256 -4.231 -7.581 1.00 0.00 C ATOM 0 H TRP A 54 0.835 -11.210 -7.877 1.00 0.00 H new ATOM 0 HA TRP A 54 2.443 -9.180 -6.704 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.362 -10.242 -6.270 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.298 -8.989 -5.237 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -0.910 -9.573 -8.839 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.241 -7.298 -10.024 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.132 -6.555 -5.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.688 -4.598 -9.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.196 -4.127 -5.652 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.296 -3.162 -7.729 1.00 0.00 H new ATOM 772 N ILE A 55 2.855 -9.834 -4.284 1.00 0.00 N ATOM 773 CA ILE A 55 3.374 -10.331 -3.015 1.00 0.00 C ATOM 774 C ILE A 55 2.779 -9.563 -1.840 1.00 0.00 C ATOM 775 O ILE A 55 3.007 -8.363 -1.689 1.00 0.00 O ATOM 776 CB ILE A 55 4.909 -10.229 -2.956 1.00 0.00 C ATOM 777 CG1 ILE A 55 5.539 -10.998 -4.119 1.00 0.00 C ATOM 778 CG2 ILE A 55 5.424 -10.757 -1.625 1.00 0.00 C ATOM 779 CD1 ILE A 55 6.868 -10.433 -4.568 1.00 0.00 C ATOM 0 H ILE A 55 2.988 -8.833 -4.431 1.00 0.00 H new ATOM 0 HA ILE A 55 3.085 -11.380 -2.945 1.00 0.00 H new ATOM 0 HB ILE A 55 5.192 -9.180 -3.043 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.677 -12.038 -3.824 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.849 -10.995 -4.962 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.511 -10.678 -1.598 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.998 -10.170 -0.811 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.133 -11.801 -1.511 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.256 -11.028 -5.395 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.733 -9.402 -4.895 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.574 -10.461 -3.738 1.00 0.00 H new ATOM 791 N VAL A 56 2.015 -10.264 -1.007 1.00 0.00 N ATOM 792 CA VAL A 56 1.389 -9.650 0.157 1.00 0.00 C ATOM 793 C VAL A 56 2.420 -9.341 1.237 1.00 0.00 C ATOM 794 O VAL A 56 3.268 -10.174 1.556 1.00 0.00 O ATOM 795 CB VAL A 56 0.296 -10.558 0.751 1.00 0.00 C ATOM 796 CG1 VAL A 56 -0.445 -9.840 1.870 1.00 0.00 C ATOM 797 CG2 VAL A 56 -0.669 -11.009 -0.334 1.00 0.00 C ATOM 0 H VAL A 56 1.815 -11.258 -1.118 1.00 0.00 H new ATOM 0 HA VAL A 56 0.933 -8.720 -0.183 1.00 0.00 H new ATOM 0 HB VAL A 56 0.773 -11.443 1.172 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.213 -10.497 2.278 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.258 -9.571 2.658 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.911 -8.937 1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.435 -11.650 0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.141 -10.137 -0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.124 -11.564 -1.098 1.00 0.00 H new ATOM 807 N ALA A 57 2.342 -8.138 1.795 1.00 0.00 N ATOM 808 CA ALA A 57 3.267 -7.720 2.841 1.00 0.00 C ATOM 809 C ALA A 57 2.784 -8.173 4.215 1.00 0.00 C ATOM 810 O ALA A 57 3.566 -8.665 5.027 1.00 0.00 O ATOM 811 CB ALA A 57 3.445 -6.209 2.815 1.00 0.00 C ATOM 0 H ALA A 57 1.648 -7.435 1.540 1.00 0.00 H new ATOM 0 HA ALA A 57 4.230 -8.192 2.649 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.138 -5.911 3.601 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.843 -5.906 1.846 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.481 -5.726 2.978 1.00 0.00 H new ATOM 817 N ASN A 58 1.490 -8.003 4.468 1.00 0.00 N ATOM 818 CA ASN A 58 0.903 -8.394 5.745 1.00 0.00 C ATOM 819 C ASN A 58 0.553 -9.879 5.750 1.00 0.00 C ATOM 820 O ASN A 58 0.828 -10.597 4.789 1.00 0.00 O ATOM 821 CB ASN A 58 -0.348 -7.562 6.031 1.00 0.00 C ATOM 822 CG ASN A 58 -1.536 -7.999 5.195 1.00 0.00 C ATOM 823 OD1 ASN A 58 -1.378 -8.468 4.068 1.00 0.00 O ATOM 824 ND2 ASN A 58 -2.735 -7.845 5.746 1.00 0.00 N ATOM 0 H ASN A 58 0.828 -7.597 3.806 1.00 0.00 H new ATOM 0 HA ASN A 58 1.639 -8.210 6.527 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.601 -7.643 7.088 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -0.135 -6.511 5.834 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.572 -8.120 5.232 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.819 -7.452 6.683 1.00 0.00 H new ATOM 831 N LYS A 59 -0.058 -10.333 6.839 1.00 0.00 N ATOM 832 CA LYS A 59 -0.450 -11.731 6.971 1.00 0.00 C ATOM 833 C LYS A 59 -1.968 -11.870 7.010 1.00 0.00 C ATOM 834 O LYS A 59 -2.540 -12.730 6.340 1.00 0.00 O ATOM 835 CB LYS A 59 0.161 -12.336 8.237 1.00 0.00 C ATOM 836 CG LYS A 59 0.276 -11.351 9.387 1.00 0.00 C ATOM 837 CD LYS A 59 0.973 -11.973 10.586 1.00 0.00 C ATOM 838 CE LYS A 59 2.477 -11.752 10.533 1.00 0.00 C ATOM 839 NZ LYS A 59 3.146 -12.708 9.608 1.00 0.00 N ATOM 0 H LYS A 59 -0.293 -9.752 7.644 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.076 -12.270 6.101 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.447 -13.183 8.555 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.152 -12.725 8.002 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.829 -10.471 9.060 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.718 -11.012 9.678 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.573 -11.543 11.504 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.762 -13.042 10.617 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.683 -10.731 10.211 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.896 -11.861 11.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.124 -12.869 9.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.629 -13.610 9.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.153 -12.313 8.646 1.00 0.00 H new ATOM 853 N ASP A 60 -2.615 -11.018 7.798 1.00 0.00 N ATOM 854 CA ASP A 60 -4.068 -11.044 7.922 1.00 0.00 C ATOM 855 C ASP A 60 -4.673 -9.706 7.510 1.00 0.00 C ATOM 856 O ASP A 60 -5.424 -9.625 6.537 1.00 0.00 O ATOM 857 CB ASP A 60 -4.472 -11.380 9.358 1.00 0.00 C ATOM 858 CG ASP A 60 -3.464 -10.882 10.375 1.00 0.00 C ATOM 859 OD1 ASP A 60 -3.444 -9.662 10.644 1.00 0.00 O ATOM 860 OD2 ASP A 60 -2.695 -11.712 10.903 1.00 0.00 O ATOM 0 H ASP A 60 -2.156 -10.301 8.360 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.451 -11.816 7.255 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.446 -10.940 9.571 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.582 -12.460 9.458 1.00 0.00 H new ATOM 865 N LEU A 61 -4.341 -8.658 8.256 1.00 0.00 N ATOM 866 CA LEU A 61 -4.852 -7.322 7.969 1.00 0.00 C ATOM 867 C LEU A 61 -3.898 -6.251 8.488 1.00 0.00 C ATOM 868 O LEU A 61 -2.838 -6.561 9.032 1.00 0.00 O ATOM 869 CB LEU A 61 -6.235 -7.138 8.597 1.00 0.00 C ATOM 870 CG LEU A 61 -7.321 -8.104 8.125 1.00 0.00 C ATOM 871 CD1 LEU A 61 -8.599 -7.903 8.924 1.00 0.00 C ATOM 872 CD2 LEU A 61 -7.586 -7.923 6.637 1.00 0.00 C ATOM 0 H LEU A 61 -3.720 -8.707 9.064 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.934 -7.215 6.887 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.136 -7.234 9.678 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.570 -6.120 8.397 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.970 -9.123 8.290 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.361 -8.600 8.574 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.400 -8.084 9.980 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -8.954 -6.881 8.792 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.362 -8.619 6.318 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.915 -6.901 6.448 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.671 -8.119 6.078 1.00 0.00 H new ATOM 884 N ILE A 62 -4.283 -4.991 8.318 1.00 0.00 N ATOM 885 CA ILE A 62 -3.464 -3.874 8.772 1.00 0.00 C ATOM 886 C ILE A 62 -4.273 -2.914 9.636 1.00 0.00 C ATOM 887 O ILE A 62 -5.115 -2.169 9.133 1.00 0.00 O ATOM 888 CB ILE A 62 -2.863 -3.098 7.586 1.00 0.00 C ATOM 889 CG1 ILE A 62 -2.112 -4.050 6.652 1.00 0.00 C ATOM 890 CG2 ILE A 62 -1.938 -1.998 8.086 1.00 0.00 C ATOM 891 CD1 ILE A 62 -1.857 -3.472 5.278 1.00 0.00 C ATOM 0 H ILE A 62 -5.157 -4.718 7.869 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.654 -4.298 9.366 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.675 -2.635 7.025 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.158 -4.316 7.108 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.685 -4.972 6.549 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.521 -1.459 7.235 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.501 -1.307 8.714 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.129 -2.440 8.668 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.321 -4.201 4.670 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.808 -3.232 4.802 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.258 -2.566 5.370 1.00 0.00 H new ATOM 903 N ASP A 63 -4.012 -2.935 10.939 1.00 0.00 N ATOM 904 CA ASP A 63 -4.714 -2.063 11.874 1.00 0.00 C ATOM 905 C ASP A 63 -4.029 -0.704 11.969 1.00 0.00 C ATOM 906 O ASP A 63 -3.790 -0.192 13.063 1.00 0.00 O ATOM 907 CB ASP A 63 -4.781 -2.712 13.257 1.00 0.00 C ATOM 908 CG ASP A 63 -5.935 -3.687 13.384 1.00 0.00 C ATOM 909 OD1 ASP A 63 -7.085 -3.285 13.107 1.00 0.00 O ATOM 910 OD2 ASP A 63 -5.689 -4.852 13.759 1.00 0.00 O ATOM 0 H ASP A 63 -3.319 -3.546 11.371 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.727 -1.913 11.502 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.845 -3.234 13.456 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.880 -1.935 14.015 1.00 0.00 H new ATOM 915 N LYS A 64 -3.714 -0.123 10.816 1.00 0.00 N ATOM 916 CA LYS A 64 -3.057 1.177 10.767 1.00 0.00 C ATOM 917 C LYS A 64 -3.255 1.837 9.406 1.00 0.00 C ATOM 918 O LYS A 64 -3.509 1.161 8.408 1.00 0.00 O ATOM 919 CB LYS A 64 -1.562 1.027 11.060 1.00 0.00 C ATOM 920 CG LYS A 64 -1.258 0.681 12.508 1.00 0.00 C ATOM 921 CD LYS A 64 0.113 1.186 12.925 1.00 0.00 C ATOM 922 CE LYS A 64 0.243 1.260 14.439 1.00 0.00 C ATOM 923 NZ LYS A 64 -0.689 2.261 15.027 1.00 0.00 N ATOM 0 H LYS A 64 -3.904 -0.533 9.902 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.509 1.813 11.528 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.150 0.251 10.415 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.055 1.957 10.803 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.020 1.117 13.155 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.305 -0.400 12.643 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.882 0.526 12.525 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.285 2.173 12.495 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.041 0.279 14.869 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.268 1.519 14.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.320 2.582 15.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.775 3.074 14.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.624 1.827 15.163 1.00 0.00 H new ATOM 937 N THR A 65 -3.136 3.160 9.372 1.00 0.00 N ATOM 938 CA THR A 65 -3.302 3.911 8.134 1.00 0.00 C ATOM 939 C THR A 65 -1.971 4.078 7.410 1.00 0.00 C ATOM 940 O THR A 65 -1.819 4.958 6.562 1.00 0.00 O ATOM 941 CB THR A 65 -3.908 5.302 8.397 1.00 0.00 C ATOM 942 OG1 THR A 65 -3.238 5.929 9.497 1.00 0.00 O ATOM 943 CG2 THR A 65 -5.396 5.196 8.697 1.00 0.00 C ATOM 0 H THR A 65 -2.925 3.734 10.188 1.00 0.00 H new ATOM 0 HA THR A 65 -3.985 3.338 7.507 1.00 0.00 H new ATOM 0 HB THR A 65 -3.776 5.907 7.500 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.628 6.814 9.656 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.802 6.191 8.879 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.907 4.746 7.846 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.546 4.575 9.580 1.00 0.00 H new ATOM 951 N LYS A 66 -1.007 3.228 7.749 1.00 0.00 N ATOM 952 CA LYS A 66 0.312 3.280 7.130 1.00 0.00 C ATOM 953 C LYS A 66 0.965 1.901 7.126 1.00 0.00 C ATOM 954 O LYS A 66 0.581 1.019 7.895 1.00 0.00 O ATOM 955 CB LYS A 66 1.206 4.277 7.870 1.00 0.00 C ATOM 956 CG LYS A 66 1.123 5.691 7.321 1.00 0.00 C ATOM 957 CD LYS A 66 2.430 6.442 7.515 1.00 0.00 C ATOM 958 CE LYS A 66 2.468 7.156 8.858 1.00 0.00 C ATOM 959 NZ LYS A 66 1.602 8.368 8.867 1.00 0.00 N ATOM 0 H LYS A 66 -1.115 2.495 8.450 1.00 0.00 H new ATOM 0 HA LYS A 66 0.189 3.608 6.098 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.929 4.288 8.924 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.240 3.935 7.816 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.876 5.656 6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.316 6.229 7.819 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.265 5.745 7.449 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.556 7.168 6.712 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.143 6.472 9.642 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.494 7.441 9.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.831 8.952 9.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.766 8.919 8.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.603 8.081 8.911 1.00 0.00 H new ATOM 973 N PHE A 67 1.955 1.723 6.257 1.00 0.00 N ATOM 974 CA PHE A 67 2.662 0.452 6.154 1.00 0.00 C ATOM 975 C PHE A 67 4.061 0.653 5.580 1.00 0.00 C ATOM 976 O PHE A 67 4.271 1.493 4.704 1.00 0.00 O ATOM 977 CB PHE A 67 1.874 -0.524 5.277 1.00 0.00 C ATOM 978 CG PHE A 67 2.286 -1.957 5.456 1.00 0.00 C ATOM 979 CD1 PHE A 67 3.460 -2.430 4.893 1.00 0.00 C ATOM 980 CD2 PHE A 67 1.499 -2.832 6.188 1.00 0.00 C ATOM 981 CE1 PHE A 67 3.843 -3.748 5.056 1.00 0.00 C ATOM 982 CE2 PHE A 67 1.876 -4.151 6.355 1.00 0.00 C ATOM 983 CZ PHE A 67 3.049 -4.610 5.787 1.00 0.00 C ATOM 0 H PHE A 67 2.285 2.443 5.614 1.00 0.00 H new ATOM 0 HA PHE A 67 2.756 0.035 7.156 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.812 -0.428 5.504 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.002 -0.245 4.231 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.084 -1.760 4.319 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.580 -2.479 6.633 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.761 -4.103 4.613 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.254 -4.822 6.929 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.344 -5.641 5.914 1.00 0.00 H new ATOM 993 N THR A 68 5.017 -0.125 6.080 1.00 0.00 N ATOM 994 CA THR A 68 6.396 -0.032 5.619 1.00 0.00 C ATOM 995 C THR A 68 6.925 -1.395 5.190 1.00 0.00 C ATOM 996 O THR A 68 7.111 -2.288 6.018 1.00 0.00 O ATOM 997 CB THR A 68 7.316 0.542 6.714 1.00 0.00 C ATOM 998 OG1 THR A 68 6.906 1.872 7.051 1.00 0.00 O ATOM 999 CG2 THR A 68 8.765 0.554 6.250 1.00 0.00 C ATOM 0 H THR A 68 4.861 -0.826 6.804 1.00 0.00 H new ATOM 0 HA THR A 68 6.399 0.642 4.762 1.00 0.00 H new ATOM 0 HB THR A 68 7.238 -0.095 7.595 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.495 2.229 7.749 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.396 0.963 7.039 1.00 0.00 H new ATOM 0 HG22 THR A 68 9.083 -0.464 6.022 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.856 1.171 5.356 1.00 0.00 H new ATOM 1007 N ILE A 69 7.167 -1.549 3.893 1.00 0.00 N ATOM 1008 CA ILE A 69 7.677 -2.804 3.355 1.00 0.00 C ATOM 1009 C ILE A 69 9.090 -3.084 3.856 1.00 0.00 C ATOM 1010 O ILE A 69 10.046 -2.420 3.456 1.00 0.00 O ATOM 1011 CB ILE A 69 7.684 -2.795 1.815 1.00 0.00 C ATOM 1012 CG1 ILE A 69 6.264 -2.605 1.278 1.00 0.00 C ATOM 1013 CG2 ILE A 69 8.290 -4.084 1.280 1.00 0.00 C ATOM 1014 CD1 ILE A 69 6.219 -2.113 -0.152 1.00 0.00 C ATOM 0 H ILE A 69 7.018 -0.820 3.195 1.00 0.00 H new ATOM 0 HA ILE A 69 7.008 -3.591 3.703 1.00 0.00 H new ATOM 0 HB ILE A 69 8.296 -1.960 1.474 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.729 -3.553 1.345 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.736 -1.895 1.915 1.00 0.00 H new ATOM 0 HG21 ILE A 69 8.288 -4.062 0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.315 -4.181 1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.702 -4.934 1.627 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.181 -2.001 -0.466 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.725 -1.150 -0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.719 -2.833 -0.800 1.00 0.00 H new ATOM 1026 N THR A 70 9.215 -4.074 4.735 1.00 0.00 N ATOM 1027 CA THR A 70 10.510 -4.443 5.292 1.00 0.00 C ATOM 1028 C THR A 70 11.260 -5.387 4.359 1.00 0.00 C ATOM 1029 O THR A 70 10.702 -6.373 3.878 1.00 0.00 O ATOM 1030 CB THR A 70 10.359 -5.113 6.670 1.00 0.00 C ATOM 1031 OG1 THR A 70 9.403 -6.177 6.596 1.00 0.00 O ATOM 1032 CG2 THR A 70 9.919 -4.102 7.718 1.00 0.00 C ATOM 0 H THR A 70 8.434 -4.635 5.076 1.00 0.00 H new ATOM 0 HA THR A 70 11.080 -3.521 5.406 1.00 0.00 H new ATOM 0 HB THR A 70 11.329 -5.516 6.961 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.468 -6.615 5.722 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.819 -4.599 8.683 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.663 -3.309 7.793 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.959 -3.673 7.430 1.00 0.00 H new ATOM 1040 N GLY A 71 12.529 -5.080 4.109 1.00 0.00 N ATOM 1041 CA GLY A 71 13.335 -5.913 3.235 1.00 0.00 C ATOM 1042 C GLY A 71 13.149 -5.567 1.771 1.00 0.00 C ATOM 1043 O GLY A 71 12.350 -6.195 1.074 1.00 0.00 O ATOM 0 H GLY A 71 13.013 -4.270 4.496 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.386 -5.802 3.501 1.00 0.00 H new ATOM 0 HA3 GLY A 71 13.075 -6.959 3.394 1.00 0.00 H new ATOM 1047 N LEU A 72 13.885 -4.566 1.303 1.00 0.00 N ATOM 1048 CA LEU A 72 13.796 -4.136 -0.089 1.00 0.00 C ATOM 1049 C LEU A 72 15.181 -3.853 -0.661 1.00 0.00 C ATOM 1050 O LEU A 72 15.972 -3.099 -0.093 1.00 0.00 O ATOM 1051 CB LEU A 72 12.919 -2.888 -0.202 1.00 0.00 C ATOM 1052 CG LEU A 72 11.421 -3.135 -0.391 1.00 0.00 C ATOM 1053 CD1 LEU A 72 10.617 -1.949 0.118 1.00 0.00 C ATOM 1054 CD2 LEU A 72 11.106 -3.407 -1.855 1.00 0.00 C ATOM 0 H LEU A 72 14.550 -4.036 1.866 1.00 0.00 H new ATOM 0 HA LEU A 72 13.344 -4.943 -0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.057 -2.288 0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 72 13.277 -2.291 -1.041 1.00 0.00 H new ATOM 0 HG LEU A 72 11.140 -4.014 0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.554 -2.142 -0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.820 -1.800 1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.900 -1.053 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.036 -3.580 -1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.401 -2.547 -2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.655 -4.288 -2.188 1.00 0.00 H new ATOM 1066 N PRO A 73 15.482 -4.468 -1.814 1.00 0.00 N ATOM 1067 CA PRO A 73 16.772 -4.294 -2.490 1.00 0.00 C ATOM 1068 C PRO A 73 16.934 -2.897 -3.079 1.00 0.00 C ATOM 1069 O PRO A 73 16.066 -2.413 -3.806 1.00 0.00 O ATOM 1070 CB PRO A 73 16.732 -5.343 -3.604 1.00 0.00 C ATOM 1071 CG PRO A 73 15.282 -5.560 -3.869 1.00 0.00 C ATOM 1072 CD PRO A 73 14.588 -5.379 -2.547 1.00 0.00 C ATOM 0 HA PRO A 73 17.611 -4.412 -1.804 1.00 0.00 H new ATOM 0 HB2 PRO A 73 17.249 -4.992 -4.497 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.221 -6.267 -3.295 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.909 -4.849 -4.606 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.104 -6.558 -4.270 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.593 -4.952 -2.671 1.00 0.00 H new ATOM 0 HD3 PRO A 73 14.465 -6.328 -2.025 1.00 0.00 H new ATOM 1080 N THR A 74 18.052 -2.252 -2.762 1.00 0.00 N ATOM 1081 CA THR A 74 18.328 -0.910 -3.259 1.00 0.00 C ATOM 1082 C THR A 74 18.238 -0.858 -4.780 1.00 0.00 C ATOM 1083 O THR A 74 18.511 -1.846 -5.462 1.00 0.00 O ATOM 1084 CB THR A 74 19.723 -0.425 -2.822 1.00 0.00 C ATOM 1085 OG1 THR A 74 19.844 -0.501 -1.397 1.00 0.00 O ATOM 1086 CG2 THR A 74 19.967 1.005 -3.281 1.00 0.00 C ATOM 0 H THR A 74 18.782 -2.638 -2.163 1.00 0.00 H new ATOM 0 HA THR A 74 17.572 -0.252 -2.830 1.00 0.00 H new ATOM 0 HB THR A 74 20.469 -1.071 -3.285 1.00 0.00 H new ATOM 0 HG1 THR A 74 20.734 -0.193 -1.127 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.958 1.326 -2.961 1.00 0.00 H new ATOM 0 HG22 THR A 74 19.903 1.054 -4.368 1.00 0.00 H new ATOM 0 HG23 THR A 74 19.215 1.661 -2.843 1.00 0.00 H new ATOM 1094 N ASP A 75 17.854 0.300 -5.306 1.00 0.00 N ATOM 1095 CA ASP A 75 17.730 0.481 -6.747 1.00 0.00 C ATOM 1096 C ASP A 75 16.698 -0.480 -7.329 1.00 0.00 C ATOM 1097 O ASP A 75 16.832 -0.938 -8.463 1.00 0.00 O ATOM 1098 CB ASP A 75 19.083 0.269 -7.428 1.00 0.00 C ATOM 1099 CG ASP A 75 19.122 0.844 -8.830 1.00 0.00 C ATOM 1100 OD1 ASP A 75 19.251 2.079 -8.961 1.00 0.00 O ATOM 1101 OD2 ASP A 75 19.022 0.060 -9.797 1.00 0.00 O ATOM 0 H ASP A 75 17.623 1.127 -4.756 1.00 0.00 H new ATOM 0 HA ASP A 75 17.395 1.502 -6.932 1.00 0.00 H new ATOM 0 HB2 ASP A 75 19.866 0.732 -6.827 1.00 0.00 H new ATOM 0 HB3 ASP A 75 19.302 -0.798 -7.470 1.00 0.00 H new ATOM 1106 N ALA A 76 15.669 -0.781 -6.543 1.00 0.00 N ATOM 1107 CA ALA A 76 14.614 -1.687 -6.981 1.00 0.00 C ATOM 1108 C ALA A 76 13.292 -0.947 -7.154 1.00 0.00 C ATOM 1109 O ALA A 76 12.959 -0.057 -6.370 1.00 0.00 O ATOM 1110 CB ALA A 76 14.455 -2.830 -5.989 1.00 0.00 C ATOM 0 H ALA A 76 15.544 -0.411 -5.601 1.00 0.00 H new ATOM 0 HA ALA A 76 14.900 -2.098 -7.949 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.664 -3.499 -6.328 1.00 0.00 H new ATOM 0 HB2 ALA A 76 15.392 -3.383 -5.918 1.00 0.00 H new ATOM 0 HB3 ALA A 76 14.195 -2.428 -5.010 1.00 0.00 H new ATOM 1116 N LYS A 77 12.541 -1.320 -8.185 1.00 0.00 N ATOM 1117 CA LYS A 77 11.255 -0.692 -8.461 1.00 0.00 C ATOM 1118 C LYS A 77 10.107 -1.656 -8.178 1.00 0.00 C ATOM 1119 O LYS A 77 10.128 -2.807 -8.617 1.00 0.00 O ATOM 1120 CB LYS A 77 11.195 -0.224 -9.917 1.00 0.00 C ATOM 1121 CG LYS A 77 12.070 0.983 -10.205 1.00 0.00 C ATOM 1122 CD LYS A 77 11.324 2.284 -9.958 1.00 0.00 C ATOM 1123 CE LYS A 77 10.460 2.665 -11.150 1.00 0.00 C ATOM 1124 NZ LYS A 77 11.188 2.500 -12.439 1.00 0.00 N ATOM 0 H LYS A 77 12.801 -2.054 -8.843 1.00 0.00 H new ATOM 0 HA LYS A 77 11.152 0.171 -7.804 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.498 -1.045 -10.566 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.163 0.018 -10.170 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.959 0.947 -9.576 1.00 0.00 H new ATOM 0 HG3 LYS A 77 12.410 0.948 -11.240 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.698 2.183 -9.071 1.00 0.00 H new ATOM 0 HD3 LYS A 77 12.039 3.082 -9.755 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.561 2.048 -11.159 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.135 3.700 -11.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.703 3.040 -13.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 12.162 2.851 -12.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.209 1.493 -12.700 1.00 0.00 H new ATOM 1138 N ILE A 78 9.107 -1.179 -7.445 1.00 0.00 N ATOM 1139 CA ILE A 78 7.950 -1.999 -7.107 1.00 0.00 C ATOM 1140 C ILE A 78 6.659 -1.193 -7.202 1.00 0.00 C ATOM 1141 O ILE A 78 6.677 0.037 -7.150 1.00 0.00 O ATOM 1142 CB ILE A 78 8.072 -2.587 -5.689 1.00 0.00 C ATOM 1143 CG1 ILE A 78 8.031 -1.469 -4.644 1.00 0.00 C ATOM 1144 CG2 ILE A 78 9.355 -3.394 -5.558 1.00 0.00 C ATOM 1145 CD1 ILE A 78 6.632 -1.123 -4.184 1.00 0.00 C ATOM 0 H ILE A 78 9.074 -0.229 -7.074 1.00 0.00 H new ATOM 0 HA ILE A 78 7.920 -2.815 -7.828 1.00 0.00 H new ATOM 0 HB ILE A 78 7.227 -3.253 -5.515 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.625 -1.768 -3.780 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.499 -0.577 -5.060 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.426 -3.803 -4.550 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.347 -4.210 -6.281 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.212 -2.748 -5.749 1.00 0.00 H new ATOM 0 HD11 ILE A 78 6.679 -0.324 -3.444 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.040 -0.793 -5.037 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.168 -2.003 -3.738 1.00 0.00 H new ATOM 1157 N PHE A 79 5.539 -1.895 -7.339 1.00 0.00 N ATOM 1158 CA PHE A 79 4.237 -1.245 -7.440 1.00 0.00 C ATOM 1159 C PHE A 79 3.423 -1.458 -6.167 1.00 0.00 C ATOM 1160 O PHE A 79 3.312 -2.578 -5.668 1.00 0.00 O ATOM 1161 CB PHE A 79 3.467 -1.783 -8.648 1.00 0.00 C ATOM 1162 CG PHE A 79 4.097 -1.431 -9.965 1.00 0.00 C ATOM 1163 CD1 PHE A 79 3.926 -0.170 -10.514 1.00 0.00 C ATOM 1164 CD2 PHE A 79 4.858 -2.361 -10.655 1.00 0.00 C ATOM 1165 CE1 PHE A 79 4.504 0.158 -11.726 1.00 0.00 C ATOM 1166 CE2 PHE A 79 5.439 -2.038 -11.867 1.00 0.00 C ATOM 1167 CZ PHE A 79 5.261 -0.778 -12.404 1.00 0.00 C ATOM 0 H PHE A 79 5.507 -2.914 -7.383 1.00 0.00 H new ATOM 0 HA PHE A 79 4.402 -0.175 -7.570 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.393 -2.868 -8.568 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.450 -1.391 -8.624 1.00 0.00 H new ATOM 0 HD1 PHE A 79 3.334 0.565 -9.989 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.999 -3.349 -10.241 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.364 1.145 -12.142 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.032 -2.771 -12.394 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.713 -0.525 -13.352 1.00 0.00 H new ATOM 1177 N VAL A 80 2.854 -0.375 -5.648 1.00 0.00 N ATOM 1178 CA VAL A 80 2.049 -0.442 -4.434 1.00 0.00 C ATOM 1179 C VAL A 80 0.577 -0.185 -4.736 1.00 0.00 C ATOM 1180 O VAL A 80 0.239 0.703 -5.519 1.00 0.00 O ATOM 1181 CB VAL A 80 2.531 0.576 -3.383 1.00 0.00 C ATOM 1182 CG1 VAL A 80 1.538 0.670 -2.235 1.00 0.00 C ATOM 1183 CG2 VAL A 80 3.915 0.201 -2.874 1.00 0.00 C ATOM 0 H VAL A 80 2.935 0.559 -6.049 1.00 0.00 H new ATOM 0 HA VAL A 80 2.165 -1.449 -4.033 1.00 0.00 H new ATOM 0 HB VAL A 80 2.596 1.556 -3.855 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.896 1.394 -1.503 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.569 0.990 -2.618 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.437 -0.306 -1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.240 0.931 -2.132 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.879 -0.788 -2.418 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.619 0.192 -3.706 1.00 0.00 H new ATOM 1193 N ARG A 81 -0.295 -0.968 -4.109 1.00 0.00 N ATOM 1194 CA ARG A 81 -1.732 -0.826 -4.311 1.00 0.00 C ATOM 1195 C ARG A 81 -2.504 -1.312 -3.088 1.00 0.00 C ATOM 1196 O ARG A 81 -2.158 -2.329 -2.486 1.00 0.00 O ATOM 1197 CB ARG A 81 -2.174 -1.607 -5.550 1.00 0.00 C ATOM 1198 CG ARG A 81 -2.000 -3.111 -5.416 1.00 0.00 C ATOM 1199 CD ARG A 81 -2.880 -3.863 -6.402 1.00 0.00 C ATOM 1200 NE ARG A 81 -2.665 -5.307 -6.336 1.00 0.00 N ATOM 1201 CZ ARG A 81 -2.980 -6.142 -7.320 1.00 0.00 C ATOM 1202 NH1 ARG A 81 -3.521 -5.680 -8.439 1.00 0.00 N ATOM 1203 NH2 ARG A 81 -2.754 -7.442 -7.186 1.00 0.00 N ATOM 0 H ARG A 81 -0.032 -1.707 -3.457 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.950 0.232 -4.460 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.222 -1.388 -5.752 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.603 -1.259 -6.411 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.956 -3.374 -5.584 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -2.246 -3.418 -4.399 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.927 -3.642 -6.195 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.674 -3.512 -7.413 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.251 -5.695 -5.488 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -3.696 -4.681 -8.546 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.762 -6.324 -9.193 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.338 -7.801 -6.327 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.996 -8.082 -7.942 1.00 0.00 H new ATOM 1217 N VAL A 82 -3.552 -0.579 -2.726 1.00 0.00 N ATOM 1218 CA VAL A 82 -4.373 -0.936 -1.575 1.00 0.00 C ATOM 1219 C VAL A 82 -5.849 -1.000 -1.952 1.00 0.00 C ATOM 1220 O VAL A 82 -6.280 -0.380 -2.924 1.00 0.00 O ATOM 1221 CB VAL A 82 -4.192 0.071 -0.423 1.00 0.00 C ATOM 1222 CG1 VAL A 82 -2.840 -0.121 0.247 1.00 0.00 C ATOM 1223 CG2 VAL A 82 -4.347 1.496 -0.932 1.00 0.00 C ATOM 0 H VAL A 82 -3.853 0.265 -3.213 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.043 -1.920 -1.243 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.968 -0.111 0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.730 0.599 1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.773 -1.132 0.648 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.046 0.033 -0.484 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.216 2.194 -0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.595 1.693 -1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.341 1.623 -1.360 1.00 0.00 H new ATOM 1233 N LYS A 83 -6.619 -1.755 -1.176 1.00 0.00 N ATOM 1234 CA LYS A 83 -8.049 -1.900 -1.426 1.00 0.00 C ATOM 1235 C LYS A 83 -8.788 -2.288 -0.149 1.00 0.00 C ATOM 1236 O LYS A 83 -8.363 -3.186 0.576 1.00 0.00 O ATOM 1237 CB LYS A 83 -8.293 -2.954 -2.509 1.00 0.00 C ATOM 1238 CG LYS A 83 -7.417 -4.186 -2.368 1.00 0.00 C ATOM 1239 CD LYS A 83 -8.081 -5.246 -1.504 1.00 0.00 C ATOM 1240 CE LYS A 83 -7.647 -6.646 -1.909 1.00 0.00 C ATOM 1241 NZ LYS A 83 -6.427 -7.083 -1.175 1.00 0.00 N ATOM 0 H LYS A 83 -6.277 -2.276 -0.369 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.432 -0.939 -1.769 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.339 -3.257 -2.479 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.119 -2.505 -3.487 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.206 -4.599 -3.355 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.460 -3.905 -1.929 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.829 -5.074 -0.457 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.164 -5.161 -1.589 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.458 -7.348 -1.715 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.454 -6.670 -2.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.775 -7.553 -1.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.958 -6.254 -0.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.695 -7.747 -0.421 1.00 0.00 H new ATOM 1255 N ALA A 84 -9.896 -1.604 0.118 1.00 0.00 N ATOM 1256 CA ALA A 84 -10.695 -1.880 1.305 1.00 0.00 C ATOM 1257 C ALA A 84 -11.190 -3.322 1.311 1.00 0.00 C ATOM 1258 O ALA A 84 -11.433 -3.910 0.257 1.00 0.00 O ATOM 1259 CB ALA A 84 -11.870 -0.916 1.385 1.00 0.00 C ATOM 0 H ALA A 84 -10.260 -0.855 -0.471 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.062 -1.738 2.181 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.459 -1.133 2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -11.498 0.107 1.436 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.496 -1.031 0.500 1.00 0.00 H new ATOM 1265 N VAL A 85 -11.337 -3.888 2.505 1.00 0.00 N ATOM 1266 CA VAL A 85 -11.804 -5.262 2.648 1.00 0.00 C ATOM 1267 C VAL A 85 -12.784 -5.391 3.808 1.00 0.00 C ATOM 1268 O VAL A 85 -12.435 -5.139 4.960 1.00 0.00 O ATOM 1269 CB VAL A 85 -10.629 -6.233 2.872 1.00 0.00 C ATOM 1270 CG1 VAL A 85 -11.135 -7.661 3.006 1.00 0.00 C ATOM 1271 CG2 VAL A 85 -9.622 -6.120 1.737 1.00 0.00 C ATOM 0 H VAL A 85 -11.139 -3.416 3.387 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.310 -5.523 1.718 1.00 0.00 H new ATOM 0 HB VAL A 85 -10.128 -5.962 3.801 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -10.291 -8.333 3.164 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.815 -7.728 3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.662 -7.947 2.096 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -8.798 -6.813 1.911 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.109 -6.365 0.793 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.236 -5.101 1.693 1.00 0.00 H new ATOM 1281 N ASN A 86 -14.014 -5.787 3.496 1.00 0.00 N ATOM 1282 CA ASN A 86 -15.046 -5.951 4.513 1.00 0.00 C ATOM 1283 C ASN A 86 -15.710 -7.320 4.399 1.00 0.00 C ATOM 1284 O ASN A 86 -15.372 -8.114 3.522 1.00 0.00 O ATOM 1285 CB ASN A 86 -16.099 -4.849 4.382 1.00 0.00 C ATOM 1286 CG ASN A 86 -16.428 -4.531 2.936 1.00 0.00 C ATOM 1287 OD1 ASN A 86 -17.492 -4.896 2.436 1.00 0.00 O ATOM 1288 ND2 ASN A 86 -15.513 -3.850 2.257 1.00 0.00 N ATOM 0 H ASN A 86 -14.320 -6.000 2.547 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.572 -5.878 5.492 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -17.008 -5.156 4.899 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -15.740 -3.947 4.877 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -15.678 -3.609 1.280 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -14.645 -3.568 2.712 1.00 0.00 H new ATOM 1295 N ALA A 87 -16.656 -7.588 5.293 1.00 0.00 N ATOM 1296 CA ALA A 87 -17.369 -8.860 5.292 1.00 0.00 C ATOM 1297 C ALA A 87 -17.873 -9.205 3.894 1.00 0.00 C ATOM 1298 O ALA A 87 -17.810 -10.358 3.469 1.00 0.00 O ATOM 1299 CB ALA A 87 -18.528 -8.816 6.276 1.00 0.00 C ATOM 0 H ALA A 87 -16.946 -6.942 6.027 1.00 0.00 H new ATOM 0 HA ALA A 87 -16.673 -9.639 5.602 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -19.051 -9.772 6.265 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -18.147 -8.623 7.279 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -19.218 -8.022 5.991 1.00 0.00 H new ATOM 1305 N ALA A 88 -18.373 -8.199 3.185 1.00 0.00 N ATOM 1306 CA ALA A 88 -18.886 -8.396 1.835 1.00 0.00 C ATOM 1307 C ALA A 88 -17.781 -8.853 0.889 1.00 0.00 C ATOM 1308 O ALA A 88 -17.885 -9.903 0.258 1.00 0.00 O ATOM 1309 CB ALA A 88 -19.528 -7.116 1.322 1.00 0.00 C ATOM 0 H ALA A 88 -18.434 -7.239 3.523 1.00 0.00 H new ATOM 0 HA ALA A 88 -19.643 -9.179 1.871 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -19.907 -7.278 0.313 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -20.352 -6.834 1.978 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -18.786 -6.317 1.307 1.00 0.00 H new ATOM 1315 N GLY A 89 -16.722 -8.055 0.795 1.00 0.00 N ATOM 1316 CA GLY A 89 -15.612 -8.394 -0.077 1.00 0.00 C ATOM 1317 C GLY A 89 -14.496 -7.370 -0.020 1.00 0.00 C ATOM 1318 O GLY A 89 -13.845 -7.210 1.012 1.00 0.00 O ATOM 0 H GLY A 89 -16.613 -7.180 1.307 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.219 -9.371 0.204 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -15.972 -8.478 -1.102 1.00 0.00 H new ATOM 1322 N ALA A 90 -14.272 -6.677 -1.131 1.00 0.00 N ATOM 1323 CA ALA A 90 -13.227 -5.664 -1.203 1.00 0.00 C ATOM 1324 C ALA A 90 -13.516 -4.654 -2.308 1.00 0.00 C ATOM 1325 O ALA A 90 -14.445 -4.830 -3.096 1.00 0.00 O ATOM 1326 CB ALA A 90 -11.871 -6.319 -1.425 1.00 0.00 C ATOM 0 H ALA A 90 -14.801 -6.799 -1.995 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.209 -5.129 -0.254 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.100 -5.550 -1.477 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.654 -6.996 -0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.887 -6.881 -2.359 1.00 0.00 H new ATOM 1332 N SER A 91 -12.714 -3.595 -2.360 1.00 0.00 N ATOM 1333 CA SER A 91 -12.887 -2.554 -3.366 1.00 0.00 C ATOM 1334 C SER A 91 -11.813 -2.657 -4.444 1.00 0.00 C ATOM 1335 O SER A 91 -10.841 -3.397 -4.298 1.00 0.00 O ATOM 1336 CB SER A 91 -12.840 -1.171 -2.713 1.00 0.00 C ATOM 1337 OG SER A 91 -14.035 -0.902 -2.001 1.00 0.00 O ATOM 0 H SER A 91 -11.938 -3.436 -1.717 1.00 0.00 H new ATOM 0 HA SER A 91 -13.861 -2.694 -3.834 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.988 -1.114 -2.035 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.690 -0.409 -3.478 1.00 0.00 H new ATOM 0 HG SER A 91 -13.979 -0.013 -1.592 1.00 0.00 H new ATOM 1343 N GLU A 92 -11.996 -1.907 -5.527 1.00 0.00 N ATOM 1344 CA GLU A 92 -11.043 -1.915 -6.631 1.00 0.00 C ATOM 1345 C GLU A 92 -9.649 -1.522 -6.149 1.00 0.00 C ATOM 1346 O GLU A 92 -9.484 -0.660 -5.285 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.500 -0.960 -7.735 1.00 0.00 C ATOM 1348 CG GLU A 92 -11.307 0.507 -7.391 1.00 0.00 C ATOM 1349 CD GLU A 92 -11.604 1.425 -8.560 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -10.792 1.459 -9.508 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -12.648 2.109 -8.528 1.00 0.00 O ATOM 0 H GLU A 92 -12.794 -1.287 -5.663 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.999 -2.928 -7.032 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -10.950 -1.185 -8.649 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.554 -1.139 -7.945 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.956 0.768 -6.555 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.281 0.667 -7.060 1.00 0.00 H new ATOM 1358 N PRO A 93 -8.622 -2.168 -6.720 1.00 0.00 N ATOM 1359 CA PRO A 93 -7.225 -1.904 -6.364 1.00 0.00 C ATOM 1360 C PRO A 93 -6.755 -0.534 -6.841 1.00 0.00 C ATOM 1361 O PRO A 93 -6.896 -0.191 -8.015 1.00 0.00 O ATOM 1362 CB PRO A 93 -6.458 -3.014 -7.089 1.00 0.00 C ATOM 1363 CG PRO A 93 -7.332 -3.391 -8.235 1.00 0.00 C ATOM 1364 CD PRO A 93 -8.746 -3.207 -7.756 1.00 0.00 C ATOM 0 HA PRO A 93 -7.074 -1.897 -5.285 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.484 -2.664 -7.432 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.277 -3.865 -6.432 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.129 -2.764 -9.103 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.154 -4.423 -8.539 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.406 -2.892 -8.564 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.157 -4.132 -7.351 1.00 0.00 H new ATOM 1372 N LYS A 94 -6.194 0.247 -5.923 1.00 0.00 N ATOM 1373 CA LYS A 94 -5.701 1.580 -6.249 1.00 0.00 C ATOM 1374 C LYS A 94 -4.293 1.512 -6.831 1.00 0.00 C ATOM 1375 O LYS A 94 -3.315 1.358 -6.098 1.00 0.00 O ATOM 1376 CB LYS A 94 -5.707 2.467 -5.003 1.00 0.00 C ATOM 1377 CG LYS A 94 -5.830 3.949 -5.312 1.00 0.00 C ATOM 1378 CD LYS A 94 -4.516 4.526 -5.811 1.00 0.00 C ATOM 1379 CE LYS A 94 -4.479 6.039 -5.663 1.00 0.00 C ATOM 1380 NZ LYS A 94 -5.058 6.727 -6.850 1.00 0.00 N ATOM 0 H LYS A 94 -6.070 -0.021 -4.947 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.364 2.012 -6.998 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.534 2.169 -4.359 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.788 2.297 -4.441 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.604 4.102 -6.064 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.146 4.483 -4.416 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.689 4.085 -5.254 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.374 4.258 -6.858 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.031 6.330 -4.769 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.449 6.365 -5.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.014 7.757 -6.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.516 6.470 -7.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.049 6.436 -6.971 1.00 0.00 H new ATOM 1394 N TYR A 95 -4.196 1.628 -8.150 1.00 0.00 N ATOM 1395 CA TYR A 95 -2.907 1.579 -8.830 1.00 0.00 C ATOM 1396 C TYR A 95 -2.227 2.944 -8.808 1.00 0.00 C ATOM 1397 O TYR A 95 -2.722 3.907 -9.394 1.00 0.00 O ATOM 1398 CB TYR A 95 -3.086 1.109 -10.274 1.00 0.00 C ATOM 1399 CG TYR A 95 -3.573 -0.318 -10.392 1.00 0.00 C ATOM 1400 CD1 TYR A 95 -2.688 -1.385 -10.292 1.00 0.00 C ATOM 1401 CD2 TYR A 95 -4.917 -0.599 -10.602 1.00 0.00 C ATOM 1402 CE1 TYR A 95 -3.128 -2.690 -10.399 1.00 0.00 C ATOM 1403 CE2 TYR A 95 -5.366 -1.901 -10.709 1.00 0.00 C ATOM 1404 CZ TYR A 95 -4.468 -2.943 -10.607 1.00 0.00 C ATOM 1405 OH TYR A 95 -4.912 -4.241 -10.714 1.00 0.00 O ATOM 0 H TYR A 95 -4.995 1.757 -8.771 1.00 0.00 H new ATOM 0 HA TYR A 95 -2.272 0.869 -8.300 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.794 1.768 -10.776 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.135 1.204 -10.798 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -1.638 -1.190 -10.128 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.623 0.214 -10.683 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.427 -3.508 -10.320 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.415 -2.102 -10.872 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.881 -4.244 -10.858 1.00 0.00 H new ATOM 1415 N TYR A 96 -1.088 3.019 -8.127 1.00 0.00 N ATOM 1416 CA TYR A 96 -0.340 4.266 -8.026 1.00 0.00 C ATOM 1417 C TYR A 96 0.192 4.695 -9.390 1.00 0.00 C ATOM 1418 O TYR A 96 0.972 3.979 -10.018 1.00 0.00 O ATOM 1419 CB TYR A 96 0.820 4.111 -7.041 1.00 0.00 C ATOM 1420 CG TYR A 96 1.219 5.404 -6.367 1.00 0.00 C ATOM 1421 CD1 TYR A 96 1.301 6.589 -7.086 1.00 0.00 C ATOM 1422 CD2 TYR A 96 1.514 5.440 -5.009 1.00 0.00 C ATOM 1423 CE1 TYR A 96 1.666 7.773 -6.475 1.00 0.00 C ATOM 1424 CE2 TYR A 96 1.878 6.620 -4.389 1.00 0.00 C ATOM 1425 CZ TYR A 96 1.954 7.783 -5.126 1.00 0.00 C ATOM 1426 OH TYR A 96 2.316 8.960 -4.512 1.00 0.00 O ATOM 0 H TYR A 96 -0.663 2.231 -7.637 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.018 5.037 -7.661 1.00 0.00 H new ATOM 0 HB2 TYR A 96 0.543 3.384 -6.278 1.00 0.00 H new ATOM 0 HB3 TYR A 96 1.683 3.705 -7.570 1.00 0.00 H new ATOM 0 HD1 TYR A 96 1.075 6.585 -8.142 1.00 0.00 H new ATOM 0 HD2 TYR A 96 1.458 4.531 -4.429 1.00 0.00 H new ATOM 0 HE1 TYR A 96 1.726 8.685 -7.050 1.00 0.00 H new ATOM 0 HE2 TYR A 96 2.102 6.631 -3.333 1.00 0.00 H new ATOM 0 HH TYR A 96 1.887 9.713 -4.970 1.00 0.00 H new ATOM 1436 N SER A 97 -0.236 5.869 -9.843 1.00 0.00 N ATOM 1437 CA SER A 97 0.193 6.394 -11.134 1.00 0.00 C ATOM 1438 C SER A 97 1.650 6.036 -11.408 1.00 0.00 C ATOM 1439 O SER A 97 1.954 5.307 -12.352 1.00 0.00 O ATOM 1440 CB SER A 97 0.011 7.912 -11.177 1.00 0.00 C ATOM 1441 OG SER A 97 0.692 8.538 -10.104 1.00 0.00 O ATOM 0 H SER A 97 -0.880 6.475 -9.335 1.00 0.00 H new ATOM 0 HA SER A 97 -0.426 5.940 -11.908 1.00 0.00 H new ATOM 0 HB2 SER A 97 0.385 8.299 -12.125 1.00 0.00 H new ATOM 0 HB3 SER A 97 -1.050 8.156 -11.130 1.00 0.00 H new ATOM 0 HG SER A 97 0.561 9.508 -10.155 1.00 0.00 H new ATOM 1447 N GLN A 98 2.547 6.556 -10.576 1.00 0.00 N ATOM 1448 CA GLN A 98 3.973 6.293 -10.728 1.00 0.00 C ATOM 1449 C GLN A 98 4.466 5.328 -9.655 1.00 0.00 C ATOM 1450 O GLN A 98 4.064 5.394 -8.494 1.00 0.00 O ATOM 1451 CB GLN A 98 4.765 7.600 -10.658 1.00 0.00 C ATOM 1452 CG GLN A 98 6.132 7.449 -10.012 1.00 0.00 C ATOM 1453 CD GLN A 98 7.085 8.564 -10.395 1.00 0.00 C ATOM 1454 OE1 GLN A 98 7.528 9.337 -9.546 1.00 0.00 O ATOM 1455 NE2 GLN A 98 7.406 8.652 -11.681 1.00 0.00 N ATOM 0 H GLN A 98 2.311 7.162 -9.790 1.00 0.00 H new ATOM 0 HA GLN A 98 4.130 5.833 -11.704 1.00 0.00 H new ATOM 0 HB2 GLN A 98 4.891 7.993 -11.667 1.00 0.00 H new ATOM 0 HB3 GLN A 98 4.187 8.336 -10.098 1.00 0.00 H new ATOM 0 HG2 GLN A 98 6.017 7.431 -8.928 1.00 0.00 H new ATOM 0 HG3 GLN A 98 6.563 6.491 -10.303 1.00 0.00 H new ATOM 0 HE21 GLN A 98 7.015 7.989 -12.351 1.00 0.00 H new ATOM 0 HE22 GLN A 98 8.044 9.382 -11.999 1.00 0.00 H new ATOM 1464 N PRO A 99 5.359 4.408 -10.051 1.00 0.00 N ATOM 1465 CA PRO A 99 5.926 3.411 -9.138 1.00 0.00 C ATOM 1466 C PRO A 99 6.873 4.033 -8.118 1.00 0.00 C ATOM 1467 O PRO A 99 7.317 5.170 -8.281 1.00 0.00 O ATOM 1468 CB PRO A 99 6.690 2.469 -10.072 1.00 0.00 C ATOM 1469 CG PRO A 99 7.022 3.302 -11.262 1.00 0.00 C ATOM 1470 CD PRO A 99 5.882 4.270 -11.421 1.00 0.00 C ATOM 0 HA PRO A 99 5.156 2.915 -8.546 1.00 0.00 H new ATOM 0 HB2 PRO A 99 7.591 2.083 -9.595 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.082 1.607 -10.349 1.00 0.00 H new ATOM 0 HG2 PRO A 99 7.965 3.830 -11.118 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.136 2.683 -12.152 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.219 5.226 -11.821 1.00 0.00 H new ATOM 0 HD3 PRO A 99 5.123 3.889 -12.104 1.00 0.00 H new ATOM 1478 N ILE A 100 7.179 3.281 -7.066 1.00 0.00 N ATOM 1479 CA ILE A 100 8.075 3.759 -6.020 1.00 0.00 C ATOM 1480 C ILE A 100 9.491 3.232 -6.227 1.00 0.00 C ATOM 1481 O ILE A 100 9.686 2.105 -6.683 1.00 0.00 O ATOM 1482 CB ILE A 100 7.582 3.340 -4.622 1.00 0.00 C ATOM 1483 CG1 ILE A 100 6.101 3.687 -4.454 1.00 0.00 C ATOM 1484 CG2 ILE A 100 8.416 4.014 -3.543 1.00 0.00 C ATOM 1485 CD1 ILE A 100 5.377 2.788 -3.476 1.00 0.00 C ATOM 0 H ILE A 100 6.820 2.338 -6.915 1.00 0.00 H new ATOM 0 HA ILE A 100 8.082 4.847 -6.083 1.00 0.00 H new ATOM 0 HB ILE A 100 7.696 2.261 -4.521 1.00 0.00 H new ATOM 0 HG12 ILE A 100 6.014 4.720 -4.118 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.609 3.625 -5.425 1.00 0.00 H new ATOM 0 HG21 ILE A 100 8.056 3.708 -2.561 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.460 3.721 -3.654 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.331 5.096 -3.640 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.332 3.092 -3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.433 1.756 -3.821 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.844 2.868 -2.494 1.00 0.00 H new ATOM 1497 N LEU A 101 10.477 4.054 -5.886 1.00 0.00 N ATOM 1498 CA LEU A 101 11.877 3.671 -6.032 1.00 0.00 C ATOM 1499 C LEU A 101 12.579 3.646 -4.678 1.00 0.00 C ATOM 1500 O LEU A 101 12.871 4.692 -4.099 1.00 0.00 O ATOM 1501 CB LEU A 101 12.596 4.640 -6.973 1.00 0.00 C ATOM 1502 CG LEU A 101 13.979 4.204 -7.456 1.00 0.00 C ATOM 1503 CD1 LEU A 101 14.066 2.687 -7.530 1.00 0.00 C ATOM 1504 CD2 LEU A 101 14.291 4.824 -8.810 1.00 0.00 C ATOM 0 H LEU A 101 10.333 4.990 -5.507 1.00 0.00 H new ATOM 0 HA LEU A 101 11.911 2.668 -6.457 1.00 0.00 H new ATOM 0 HB2 LEU A 101 11.964 4.804 -7.845 1.00 0.00 H new ATOM 0 HB3 LEU A 101 12.696 5.600 -6.466 1.00 0.00 H new ATOM 0 HG LEU A 101 14.720 4.555 -6.738 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.058 2.396 -7.876 1.00 0.00 H new ATOM 0 HD12 LEU A 101 13.888 2.264 -6.542 1.00 0.00 H new ATOM 0 HD13 LEU A 101 13.315 2.313 -8.226 1.00 0.00 H new ATOM 0 HD21 LEU A 101 15.279 4.503 -9.138 1.00 0.00 H new ATOM 0 HD22 LEU A 101 13.545 4.504 -9.537 1.00 0.00 H new ATOM 0 HD23 LEU A 101 14.272 5.911 -8.726 1.00 0.00 H new ATOM 1516 N VAL A 102 12.848 2.443 -4.180 1.00 0.00 N ATOM 1517 CA VAL A 102 13.519 2.281 -2.895 1.00 0.00 C ATOM 1518 C VAL A 102 14.947 2.812 -2.950 1.00 0.00 C ATOM 1519 O VAL A 102 15.880 2.082 -3.286 1.00 0.00 O ATOM 1520 CB VAL A 102 13.548 0.804 -2.460 1.00 0.00 C ATOM 1521 CG1 VAL A 102 13.929 -0.090 -3.630 1.00 0.00 C ATOM 1522 CG2 VAL A 102 14.508 0.610 -1.296 1.00 0.00 C ATOM 0 H VAL A 102 12.612 1.567 -4.646 1.00 0.00 H new ATOM 0 HA VAL A 102 12.949 2.856 -2.165 1.00 0.00 H new ATOM 0 HB VAL A 102 12.549 0.522 -2.128 1.00 0.00 H new ATOM 0 HG11 VAL A 102 13.944 -1.130 -3.303 1.00 0.00 H new ATOM 0 HG12 VAL A 102 13.199 0.028 -4.431 1.00 0.00 H new ATOM 0 HG13 VAL A 102 14.917 0.190 -3.995 1.00 0.00 H new ATOM 0 HG21 VAL A 102 14.516 -0.440 -1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 102 15.512 0.910 -1.598 1.00 0.00 H new ATOM 0 HG23 VAL A 102 14.186 1.221 -0.453 1.00 0.00 H new ATOM 1532 N LYS A 103 15.111 4.087 -2.617 1.00 0.00 N ATOM 1533 CA LYS A 103 16.426 4.718 -2.625 1.00 0.00 C ATOM 1534 C LYS A 103 16.571 5.689 -1.458 1.00 0.00 C ATOM 1535 O LYS A 103 15.646 6.436 -1.142 1.00 0.00 O ATOM 1536 CB LYS A 103 16.652 5.455 -3.947 1.00 0.00 C ATOM 1537 CG LYS A 103 18.105 5.815 -4.202 1.00 0.00 C ATOM 1538 CD LYS A 103 18.858 4.666 -4.853 1.00 0.00 C ATOM 1539 CE LYS A 103 20.358 4.789 -4.636 1.00 0.00 C ATOM 1540 NZ LYS A 103 21.014 5.566 -5.724 1.00 0.00 N ATOM 0 H LYS A 103 14.349 4.705 -2.338 1.00 0.00 H new ATOM 0 HA LYS A 103 17.178 3.936 -2.519 1.00 0.00 H new ATOM 0 HB2 LYS A 103 16.291 4.833 -4.766 1.00 0.00 H new ATOM 0 HB3 LYS A 103 16.054 6.367 -3.952 1.00 0.00 H new ATOM 0 HG2 LYS A 103 18.156 6.695 -4.844 1.00 0.00 H new ATOM 0 HG3 LYS A 103 18.586 6.079 -3.260 1.00 0.00 H new ATOM 0 HD2 LYS A 103 18.506 3.720 -4.442 1.00 0.00 H new ATOM 0 HD3 LYS A 103 18.644 4.648 -5.922 1.00 0.00 H new ATOM 0 HE2 LYS A 103 20.548 5.274 -3.678 1.00 0.00 H new ATOM 0 HE3 LYS A 103 20.800 3.794 -4.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 22.036 5.627 -5.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 20.855 5.090 -6.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 20.610 6.524 -5.758 1.00 0.00 H new ATOM 1554 N GLU A 104 17.739 5.673 -0.823 1.00 0.00 N ATOM 1555 CA GLU A 104 18.004 6.553 0.309 1.00 0.00 C ATOM 1556 C GLU A 104 18.536 7.903 -0.165 1.00 0.00 C ATOM 1557 O GLU A 104 19.031 8.029 -1.285 1.00 0.00 O ATOM 1558 CB GLU A 104 19.008 5.904 1.264 1.00 0.00 C ATOM 1559 CG GLU A 104 19.623 6.878 2.255 1.00 0.00 C ATOM 1560 CD GLU A 104 20.676 6.230 3.133 1.00 0.00 C ATOM 1561 OE1 GLU A 104 21.849 6.172 2.707 1.00 0.00 O ATOM 1562 OE2 GLU A 104 20.328 5.782 4.245 1.00 0.00 O ATOM 0 H GLU A 104 18.516 5.061 -1.073 1.00 0.00 H new ATOM 0 HA GLU A 104 17.065 6.717 0.837 1.00 0.00 H new ATOM 0 HB2 GLU A 104 18.510 5.106 1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 104 19.804 5.441 0.681 1.00 0.00 H new ATOM 0 HG2 GLU A 104 20.071 7.710 1.711 1.00 0.00 H new ATOM 0 HG3 GLU A 104 18.837 7.295 2.884 1.00 0.00 H new ATOM 1569 N SER A 105 18.429 8.910 0.697 1.00 0.00 N ATOM 1570 CA SER A 105 18.894 10.252 0.366 1.00 0.00 C ATOM 1571 C SER A 105 19.724 10.835 1.505 1.00 0.00 C ATOM 1572 O SER A 105 19.225 11.611 2.318 1.00 0.00 O ATOM 1573 CB SER A 105 17.705 11.167 0.066 1.00 0.00 C ATOM 1574 OG SER A 105 18.139 12.475 -0.265 1.00 0.00 O ATOM 0 H SER A 105 18.025 8.822 1.629 1.00 0.00 H new ATOM 0 HA SER A 105 19.523 10.183 -0.521 1.00 0.00 H new ATOM 0 HB2 SER A 105 17.123 10.754 -0.758 1.00 0.00 H new ATOM 0 HB3 SER A 105 17.046 11.208 0.933 1.00 0.00 H new ATOM 0 HG SER A 105 17.361 13.040 -0.454 1.00 0.00 H new ATOM 1580 N GLY A 106 20.997 10.454 1.557 1.00 0.00 N ATOM 1581 CA GLY A 106 21.877 10.947 2.600 1.00 0.00 C ATOM 1582 C GLY A 106 22.312 9.855 3.556 1.00 0.00 C ATOM 1583 O GLY A 106 21.735 9.673 4.628 1.00 0.00 O ATOM 0 H GLY A 106 21.434 9.813 0.895 1.00 0.00 H new ATOM 0 HA2 GLY A 106 22.758 11.399 2.144 1.00 0.00 H new ATOM 0 HA3 GLY A 106 21.369 11.733 3.158 1.00 0.00 H new ATOM 1587 N PRO A 107 23.354 9.104 3.169 1.00 0.00 N ATOM 1588 CA PRO A 107 23.889 8.010 3.986 1.00 0.00 C ATOM 1589 C PRO A 107 24.593 8.515 5.241 1.00 0.00 C ATOM 1590 O PRO A 107 25.139 7.729 6.015 1.00 0.00 O ATOM 1591 CB PRO A 107 24.888 7.325 3.051 1.00 0.00 C ATOM 1592 CG PRO A 107 25.298 8.387 2.090 1.00 0.00 C ATOM 1593 CD PRO A 107 24.091 9.266 1.905 1.00 0.00 C ATOM 0 HA PRO A 107 23.102 7.349 4.349 1.00 0.00 H new ATOM 0 HB2 PRO A 107 25.745 6.938 3.602 1.00 0.00 H new ATOM 0 HB3 PRO A 107 24.432 6.479 2.536 1.00 0.00 H new ATOM 0 HG2 PRO A 107 26.142 8.959 2.477 1.00 0.00 H new ATOM 0 HG3 PRO A 107 25.615 7.954 1.141 1.00 0.00 H new ATOM 0 HD2 PRO A 107 24.373 10.305 1.735 1.00 0.00 H new ATOM 0 HD3 PRO A 107 23.494 8.953 1.049 1.00 0.00 H new ATOM 1601 N SER A 108 24.575 9.829 5.436 1.00 0.00 N ATOM 1602 CA SER A 108 25.215 10.438 6.596 1.00 0.00 C ATOM 1603 C SER A 108 24.639 9.876 7.892 1.00 0.00 C ATOM 1604 O SER A 108 23.461 10.064 8.194 1.00 0.00 O ATOM 1605 CB SER A 108 25.038 11.958 6.564 1.00 0.00 C ATOM 1606 OG SER A 108 26.052 12.605 7.312 1.00 0.00 O ATOM 0 H SER A 108 24.124 10.493 4.806 1.00 0.00 H new ATOM 0 HA SER A 108 26.278 10.202 6.558 1.00 0.00 H new ATOM 0 HB2 SER A 108 25.063 12.309 5.532 1.00 0.00 H new ATOM 0 HB3 SER A 108 24.060 12.222 6.967 1.00 0.00 H new ATOM 0 HG SER A 108 25.918 13.575 7.275 1.00 0.00 H new ATOM 1612 N SER A 109 25.480 9.184 8.655 1.00 0.00 N ATOM 1613 CA SER A 109 25.055 8.590 9.917 1.00 0.00 C ATOM 1614 C SER A 109 23.966 7.546 9.687 1.00 0.00 C ATOM 1615 O SER A 109 22.983 7.485 10.424 1.00 0.00 O ATOM 1616 CB SER A 109 24.545 9.674 10.869 1.00 0.00 C ATOM 1617 OG SER A 109 25.621 10.335 11.512 1.00 0.00 O ATOM 0 H SER A 109 26.459 9.021 8.421 1.00 0.00 H new ATOM 0 HA SER A 109 25.917 8.097 10.367 1.00 0.00 H new ATOM 0 HB2 SER A 109 23.948 10.398 10.314 1.00 0.00 H new ATOM 0 HB3 SER A 109 23.890 9.227 11.617 1.00 0.00 H new ATOM 0 HG SER A 109 25.269 11.024 12.114 1.00 0.00 H new ATOM 1623 N GLY A 110 24.150 6.726 8.657 1.00 0.00 N ATOM 1624 CA GLY A 110 23.176 5.696 8.346 1.00 0.00 C ATOM 1625 C GLY A 110 23.648 4.312 8.748 1.00 0.00 C ATOM 1626 O GLY A 110 23.104 3.307 8.292 1.00 0.00 O ATOM 0 H GLY A 110 24.956 6.756 8.032 1.00 0.00 H new ATOM 0 HA2 GLY A 110 22.239 5.920 8.857 1.00 0.00 H new ATOM 0 HA3 GLY A 110 22.967 5.709 7.276 1.00 0.00 H new TER 1630 GLY A 110