USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 852 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 GLN : amide:sc= -9.16! C(o=-11!,f=-8.7!) USER MOD Set 1.2: A 93 GLN : amide:sc= -2.13! C(o=-11!,f=-10!) USER MOD Single : A 1 GLY N :NH3+ -166:sc= -0.0145 (180deg=-0.271) 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 96:sc= 0.402 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -1.49! K(o=-1.5!,f=-0.086) USER MOD Single : A 16 GLN : amide:sc= -0.0299 K(o=-0.03,f=-1.9!) USER MOD Single : A 21 THR OG1 : rot -67:sc= 0.15! USER MOD Single : A 25 SER OG : rot -56:sc= 0.378! USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 27 HIS : no HD1:sc=-0.00858 X(o=-0.0086,f=-0.11) USER MOD Single : A 30 GLN : amide:sc= -0.501 X(o=-0.5,f=-0.55) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -6.72! C(o=-6.7!,f=-4.7!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.382 K(o=-0.38,f=-1.1) USER MOD Single : A 51 ASN : amide:sc= -0.803 K(o=-0.8,f=-0.057) USER MOD Single : A 55 GLN : amide:sc= -20.1! C(o=-20!,f=-10!) USER MOD Single : A 57 GLN : amide:sc= -1.08! K(o=-1.1!,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -179:sc= -0.26 (180deg=-0.267) USER MOD Single : A 77 SER OG : rot 180:sc= -0.266 USER MOD Single : A 82 SER OG : rot 51:sc= -5.47! USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0881 USER MOD Single : A 89 GLN : amide:sc= -4.62! K(o=-4.6!,f=-1.9) USER MOD Single : A 92 ASN : amide:sc= -0.04 K(o=-0.04,f=-1.9!) USER MOD Single : A 96 GLN : amide:sc= -1.16! K(o=-1.2!,f=0) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.512 -5.859 29.940 1.00 0.00 N ATOM 2 CA GLY A 1 -15.666 -5.328 29.157 1.00 0.00 C ATOM 3 C GLY A 1 -16.590 -4.542 30.080 1.00 0.00 C ATOM 4 O GLY A 1 -17.187 -3.545 29.675 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.770 -6.185 29.288 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.131 -5.108 30.550 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.829 -6.655 30.529 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.308 -4.687 28.352 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.212 -6.149 28.692 1.00 0.00 H new ATOM 10 N SER A 2 -16.703 -4.997 31.325 1.00 0.00 N ATOM 11 CA SER A 2 -17.556 -4.328 32.302 1.00 0.00 C ATOM 12 C SER A 2 -17.133 -2.872 32.471 1.00 0.00 C ATOM 13 O SER A 2 -16.685 -2.231 31.520 1.00 0.00 O ATOM 14 CB SER A 2 -17.469 -5.044 33.650 1.00 0.00 C ATOM 15 OG SER A 2 -17.781 -6.420 33.474 1.00 0.00 O ATOM 0 H SER A 2 -16.218 -5.821 31.679 1.00 0.00 H new ATOM 0 HA SER A 2 -18.584 -4.359 31.941 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.468 -4.937 34.067 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.160 -4.591 34.360 1.00 0.00 H new ATOM 0 HG SER A 2 -17.724 -6.881 34.337 1.00 0.00 H new ATOM 21 N SER A 3 -17.276 -2.356 33.689 1.00 0.00 N ATOM 22 CA SER A 3 -16.901 -0.975 33.968 1.00 0.00 C ATOM 23 C SER A 3 -15.399 -0.788 33.784 1.00 0.00 C ATOM 24 O SER A 3 -14.647 -1.762 33.726 1.00 0.00 O ATOM 25 CB SER A 3 -17.295 -0.605 35.397 1.00 0.00 C ATOM 26 OG SER A 3 -16.402 -1.231 36.308 1.00 0.00 O ATOM 0 H SER A 3 -17.645 -2.868 34.490 1.00 0.00 H new ATOM 0 HA SER A 3 -17.427 -0.323 33.270 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.265 0.477 35.526 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.318 -0.922 35.598 1.00 0.00 H new ATOM 0 HG SER A 3 -16.651 -0.994 37.226 1.00 0.00 H new ATOM 32 N LEU A 4 -14.965 0.464 33.685 1.00 0.00 N ATOM 33 CA LEU A 4 -13.548 0.750 33.501 1.00 0.00 C ATOM 34 C LEU A 4 -13.005 -0.042 32.317 1.00 0.00 C ATOM 35 O LEU A 4 -12.361 -1.077 32.493 1.00 0.00 O ATOM 36 CB LEU A 4 -12.774 0.379 34.767 1.00 0.00 C ATOM 37 CG LEU A 4 -11.297 0.731 34.585 1.00 0.00 C ATOM 38 CD1 LEU A 4 -11.141 2.251 34.516 1.00 0.00 C ATOM 39 CD2 LEU A 4 -10.497 0.191 35.773 1.00 0.00 C ATOM 0 H LEU A 4 -15.566 1.287 33.728 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.426 1.815 33.304 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.183 0.913 35.625 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -12.882 -0.686 34.973 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.927 0.285 33.662 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.089 2.503 34.386 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.713 2.638 33.673 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.510 2.697 35.440 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.444 0.441 35.646 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.867 0.639 36.695 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.610 -0.892 35.825 1.00 0.00 H new ATOM 51 N SER A 5 -13.279 0.445 31.113 1.00 0.00 N ATOM 52 CA SER A 5 -12.824 -0.229 29.903 1.00 0.00 C ATOM 53 C SER A 5 -11.952 0.696 29.056 1.00 0.00 C ATOM 54 O SER A 5 -12.424 1.287 28.085 1.00 0.00 O ATOM 55 CB SER A 5 -14.030 -0.680 29.079 1.00 0.00 C ATOM 56 OG SER A 5 -14.452 -1.962 29.526 1.00 0.00 O ATOM 0 H SER A 5 -13.811 1.300 30.948 1.00 0.00 H new ATOM 0 HA SER A 5 -12.230 -1.094 30.198 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.843 0.039 29.180 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.768 -0.719 28.022 1.00 0.00 H new ATOM 0 HG SER A 5 -15.183 -1.859 30.170 1.00 0.00 H new ATOM 62 N PRO A 6 -10.697 0.826 29.398 1.00 0.00 N ATOM 63 CA PRO A 6 -9.762 1.696 28.639 1.00 0.00 C ATOM 64 C PRO A 6 -9.671 1.268 27.176 1.00 0.00 C ATOM 65 O PRO A 6 -10.496 0.488 26.702 1.00 0.00 O ATOM 66 CB PRO A 6 -8.406 1.546 29.338 1.00 0.00 C ATOM 67 CG PRO A 6 -8.588 0.600 30.487 1.00 0.00 C ATOM 68 CD PRO A 6 -10.052 0.158 30.535 1.00 0.00 C ATOM 0 HA PRO A 6 -10.100 2.732 28.630 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.658 1.165 28.643 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.049 2.513 29.692 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.936 -0.266 30.370 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.309 1.085 31.423 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -10.138 -0.926 30.455 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.519 0.446 31.477 1.00 0.00 H new ATOM 76 N GLN A 7 -8.675 1.781 26.462 1.00 0.00 N ATOM 77 CA GLN A 7 -8.512 1.432 25.055 1.00 0.00 C ATOM 78 C GLN A 7 -8.133 -0.038 24.910 1.00 0.00 C ATOM 79 O GLN A 7 -7.317 -0.559 25.671 1.00 0.00 O ATOM 80 CB GLN A 7 -7.429 2.304 24.415 1.00 0.00 C ATOM 81 CG GLN A 7 -7.861 3.771 24.450 1.00 0.00 C ATOM 82 CD GLN A 7 -6.862 4.626 23.677 1.00 0.00 C ATOM 83 OE1 GLN A 7 -6.945 4.725 22.452 1.00 0.00 O ATOM 84 NE2 GLN A 7 -5.917 5.252 24.321 1.00 0.00 N ATOM 0 H GLN A 7 -7.978 2.430 26.827 1.00 0.00 H new ATOM 0 HA GLN A 7 -9.461 1.606 24.548 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -6.486 2.180 24.948 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.257 1.990 23.385 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.855 3.877 24.016 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -7.925 4.115 25.482 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -5.850 5.169 25.335 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -5.245 5.825 23.810 1.00 0.00 H new ATOM 93 N ALA A 8 -8.731 -0.700 23.925 1.00 0.00 N ATOM 94 CA ALA A 8 -8.452 -2.111 23.678 1.00 0.00 C ATOM 95 C ALA A 8 -8.589 -2.422 22.193 1.00 0.00 C ATOM 96 O ALA A 8 -9.141 -3.454 21.810 1.00 0.00 O ATOM 97 CB ALA A 8 -9.419 -2.986 24.474 1.00 0.00 C ATOM 0 H ALA A 8 -9.409 -0.285 23.287 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.431 -2.323 23.996 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.201 -4.037 24.282 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.304 -2.780 25.538 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.443 -2.766 24.171 1.00 0.00 H new ATOM 103 N LEU A 9 -8.087 -1.516 21.363 1.00 0.00 N ATOM 104 CA LEU A 9 -8.156 -1.692 19.918 1.00 0.00 C ATOM 105 C LEU A 9 -7.001 -2.554 19.431 1.00 0.00 C ATOM 106 O LEU A 9 -5.953 -2.628 20.072 1.00 0.00 O ATOM 107 CB LEU A 9 -8.096 -0.331 19.222 1.00 0.00 C ATOM 108 CG LEU A 9 -6.862 0.433 19.708 1.00 0.00 C ATOM 109 CD1 LEU A 9 -6.501 1.518 18.693 1.00 0.00 C ATOM 110 CD2 LEU A 9 -7.154 1.083 21.065 1.00 0.00 C ATOM 0 H LEU A 9 -7.630 -0.655 21.664 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.097 -2.186 19.677 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.053 -0.464 18.141 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.999 0.240 19.437 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.029 -0.262 19.813 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.622 2.062 19.039 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.286 1.057 17.729 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.337 2.209 18.586 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.272 1.625 21.406 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.990 1.776 20.964 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.408 0.311 21.791 1.00 0.00 H new ATOM 122 N ALA A 10 -7.193 -3.200 18.287 1.00 0.00 N ATOM 123 CA ALA A 10 -6.152 -4.045 17.720 1.00 0.00 C ATOM 124 C ALA A 10 -4.942 -3.196 17.351 1.00 0.00 C ATOM 125 O ALA A 10 -4.978 -1.971 17.473 1.00 0.00 O ATOM 126 CB ALA A 10 -6.678 -4.760 16.475 1.00 0.00 C ATOM 0 H ALA A 10 -8.052 -3.155 17.739 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.858 -4.789 18.460 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.892 -5.390 16.058 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.534 -5.379 16.745 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.983 -4.022 15.733 1.00 0.00 H new ATOM 132 N GLN A 11 -3.874 -3.841 16.905 1.00 0.00 N ATOM 133 CA GLN A 11 -2.673 -3.107 16.534 1.00 0.00 C ATOM 134 C GLN A 11 -2.804 -2.579 15.107 1.00 0.00 C ATOM 135 O GLN A 11 -3.283 -3.287 14.220 1.00 0.00 O ATOM 136 CB GLN A 11 -1.448 -4.018 16.641 1.00 0.00 C ATOM 137 CG GLN A 11 -1.386 -4.626 18.044 1.00 0.00 C ATOM 138 CD GLN A 11 -0.937 -3.574 19.051 1.00 0.00 C ATOM 139 OE1 GLN A 11 -1.317 -3.632 20.221 1.00 0.00 O ATOM 140 NE2 GLN A 11 -0.144 -2.611 18.667 1.00 0.00 N ATOM 0 H GLN A 11 -3.813 -4.853 16.792 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.550 -2.265 17.215 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.503 -4.808 15.893 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.540 -3.450 16.439 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.365 -5.014 18.324 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.694 -5.468 18.054 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.170 -2.565 17.698 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.162 -1.905 19.336 1.00 0.00 H new ATOM 149 N PRO A 12 -2.404 -1.355 14.869 1.00 0.00 N ATOM 150 CA PRO A 12 -2.500 -0.739 13.520 1.00 0.00 C ATOM 151 C PRO A 12 -1.884 -1.620 12.439 1.00 0.00 C ATOM 152 O PRO A 12 -1.041 -2.473 12.719 1.00 0.00 O ATOM 153 CB PRO A 12 -1.741 0.589 13.627 1.00 0.00 C ATOM 154 CG PRO A 12 -1.227 0.702 15.030 1.00 0.00 C ATOM 155 CD PRO A 12 -1.827 -0.435 15.857 1.00 0.00 C ATOM 0 HA PRO A 12 -3.542 -0.602 13.230 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.918 0.619 12.913 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.398 1.426 13.391 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.139 0.645 15.041 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.500 1.667 15.457 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.066 -0.929 16.460 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.588 -0.065 16.544 1.00 0.00 H new ATOM 163 N LEU A 13 -2.315 -1.403 11.202 1.00 0.00 N ATOM 164 CA LEU A 13 -1.812 -2.171 10.074 1.00 0.00 C ATOM 165 C LEU A 13 -0.432 -1.670 9.680 1.00 0.00 C ATOM 166 O LEU A 13 -0.189 -0.463 9.649 1.00 0.00 O ATOM 167 CB LEU A 13 -2.763 -2.014 8.887 1.00 0.00 C ATOM 168 CG LEU A 13 -2.452 -3.055 7.811 1.00 0.00 C ATOM 169 CD1 LEU A 13 -3.590 -3.060 6.794 1.00 0.00 C ATOM 170 CD2 LEU A 13 -1.146 -2.698 7.100 1.00 0.00 C ATOM 0 H LEU A 13 -3.012 -0.700 10.957 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.746 -3.221 10.358 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.794 -2.126 9.222 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.670 -1.012 8.469 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.350 -4.037 8.272 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.382 -3.798 6.019 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.525 -3.313 7.295 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.677 -2.073 6.340 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.932 -3.445 6.335 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.242 -1.718 6.633 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.332 -2.677 7.824 1.00 0.00 H new ATOM 182 N LEU A 14 0.472 -2.591 9.378 1.00 0.00 N ATOM 183 CA LEU A 14 1.806 -2.204 8.989 1.00 0.00 C ATOM 184 C LEU A 14 1.930 -2.220 7.469 1.00 0.00 C ATOM 185 O LEU A 14 1.827 -3.267 6.826 1.00 0.00 O ATOM 186 CB LEU A 14 2.807 -3.153 9.637 1.00 0.00 C ATOM 187 CG LEU A 14 2.563 -3.185 11.148 1.00 0.00 C ATOM 188 CD1 LEU A 14 3.749 -3.846 11.849 1.00 0.00 C ATOM 189 CD2 LEU A 14 2.390 -1.755 11.671 1.00 0.00 C ATOM 0 H LEU A 14 0.303 -3.597 9.396 1.00 0.00 H new ATOM 0 HA LEU A 14 2.016 -1.190 9.328 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.702 -4.154 9.218 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.825 -2.825 9.428 1.00 0.00 H new ATOM 0 HG LEU A 14 1.659 -3.758 11.353 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.571 -3.866 12.924 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.867 -4.865 11.481 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.656 -3.278 11.642 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.216 -1.780 12.747 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.292 -1.180 11.462 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.539 -1.287 11.177 1.00 0.00 H new ATOM 201 N LEU A 15 2.119 -1.032 6.906 1.00 0.00 N ATOM 202 CA LEU A 15 2.223 -0.869 5.464 1.00 0.00 C ATOM 203 C LEU A 15 3.560 -0.218 5.101 1.00 0.00 C ATOM 204 O LEU A 15 3.969 0.757 5.732 1.00 0.00 O ATOM 205 CB LEU A 15 1.054 0.014 5.006 1.00 0.00 C ATOM 206 CG LEU A 15 0.808 -0.135 3.507 1.00 0.00 C ATOM 207 CD1 LEU A 15 2.024 0.374 2.740 1.00 0.00 C ATOM 208 CD2 LEU A 15 0.556 -1.608 3.178 1.00 0.00 C ATOM 0 H LEU A 15 2.204 -0.163 7.433 1.00 0.00 H new ATOM 0 HA LEU A 15 2.179 -1.838 4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.152 -0.258 5.555 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.268 1.057 5.241 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.065 0.449 3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.849 0.268 1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.191 1.424 2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.902 -0.206 3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.380 -1.717 2.108 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.426 -2.199 3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.318 -1.959 3.727 1.00 0.00 H new ATOM 220 N GLN A 16 4.244 -0.757 4.089 1.00 0.00 N ATOM 221 CA GLN A 16 5.531 -0.199 3.682 1.00 0.00 C ATOM 222 C GLN A 16 5.626 -0.030 2.168 1.00 0.00 C ATOM 223 O GLN A 16 4.932 -0.704 1.407 1.00 0.00 O ATOM 224 CB GLN A 16 6.671 -1.092 4.173 1.00 0.00 C ATOM 225 CG GLN A 16 6.900 -0.840 5.663 1.00 0.00 C ATOM 226 CD GLN A 16 7.896 -1.853 6.218 1.00 0.00 C ATOM 227 OE1 GLN A 16 8.105 -2.910 5.623 1.00 0.00 O ATOM 228 NE2 GLN A 16 8.525 -1.591 7.330 1.00 0.00 N ATOM 0 H GLN A 16 3.934 -1.564 3.547 1.00 0.00 H new ATOM 0 HA GLN A 16 5.616 0.789 4.135 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.427 -2.141 4.002 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.582 -0.881 3.612 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.275 0.172 5.815 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.955 -0.914 6.202 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.350 -0.714 7.821 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.192 -2.263 7.709 1.00 0.00 H new ATOM 237 N LEU A 17 6.496 0.886 1.749 1.00 0.00 N ATOM 238 CA LEU A 17 6.694 1.163 0.331 1.00 0.00 C ATOM 239 C LEU A 17 8.178 1.328 0.014 1.00 0.00 C ATOM 240 O LEU A 17 8.889 2.064 0.699 1.00 0.00 O ATOM 241 CB LEU A 17 5.947 2.441 -0.056 1.00 0.00 C ATOM 242 CG LEU A 17 6.095 2.699 -1.560 1.00 0.00 C ATOM 243 CD1 LEU A 17 5.013 1.934 -2.325 1.00 0.00 C ATOM 244 CD2 LEU A 17 5.947 4.194 -1.836 1.00 0.00 C ATOM 0 H LEU A 17 7.075 1.449 2.373 1.00 0.00 H new ATOM 0 HA LEU A 17 6.305 0.321 -0.241 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.892 2.349 0.204 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.341 3.287 0.507 1.00 0.00 H new ATOM 0 HG LEU A 17 7.078 2.360 -1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.122 2.120 -3.393 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.116 0.866 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.029 2.270 -1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.052 4.379 -2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.964 4.530 -1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.719 4.742 -1.296 1.00 0.00 H new ATOM 256 N PHE A 18 8.635 0.651 -1.035 1.00 0.00 N ATOM 257 CA PHE A 18 10.033 0.744 -1.441 1.00 0.00 C ATOM 258 C PHE A 18 10.177 1.736 -2.588 1.00 0.00 C ATOM 259 O PHE A 18 9.586 1.555 -3.653 1.00 0.00 O ATOM 260 CB PHE A 18 10.537 -0.629 -1.892 1.00 0.00 C ATOM 261 CG PHE A 18 10.713 -1.522 -0.688 1.00 0.00 C ATOM 262 CD1 PHE A 18 9.625 -2.241 -0.181 1.00 0.00 C ATOM 263 CD2 PHE A 18 11.970 -1.634 -0.083 1.00 0.00 C ATOM 264 CE1 PHE A 18 9.795 -3.072 0.934 1.00 0.00 C ATOM 265 CE2 PHE A 18 12.140 -2.463 1.030 1.00 0.00 C ATOM 266 CZ PHE A 18 11.053 -3.183 1.539 1.00 0.00 C ATOM 0 H PHE A 18 8.063 0.037 -1.615 1.00 0.00 H new ATOM 0 HA PHE A 18 10.624 1.086 -0.591 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.829 -1.077 -2.590 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.484 -0.524 -2.422 1.00 0.00 H new ATOM 0 HD1 PHE A 18 8.655 -2.155 -0.649 1.00 0.00 H new ATOM 0 HD2 PHE A 18 12.809 -1.080 -0.476 1.00 0.00 H new ATOM 0 HE1 PHE A 18 8.956 -3.627 1.327 1.00 0.00 H new ATOM 0 HE2 PHE A 18 13.110 -2.548 1.497 1.00 0.00 H new ATOM 0 HZ PHE A 18 11.184 -3.824 2.398 1.00 0.00 H new ATOM 276 N VAL A 19 10.959 2.789 -2.364 1.00 0.00 N ATOM 277 CA VAL A 19 11.154 3.800 -3.398 1.00 0.00 C ATOM 278 C VAL A 19 12.626 4.166 -3.555 1.00 0.00 C ATOM 279 O VAL A 19 13.409 4.075 -2.608 1.00 0.00 O ATOM 280 CB VAL A 19 10.364 5.059 -3.047 1.00 0.00 C ATOM 281 CG1 VAL A 19 8.916 4.684 -2.728 1.00 0.00 C ATOM 282 CG2 VAL A 19 10.998 5.736 -1.830 1.00 0.00 C ATOM 0 H VAL A 19 11.459 2.963 -1.492 1.00 0.00 H new ATOM 0 HA VAL A 19 10.800 3.381 -4.340 1.00 0.00 H new ATOM 0 HB VAL A 19 10.381 5.745 -3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.354 5.584 -2.478 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.465 4.204 -3.596 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.896 3.997 -1.882 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.435 6.635 -1.579 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.983 5.050 -0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.029 6.006 -2.060 1.00 0.00 H new ATOM 292 N ASP A 20 12.985 4.604 -4.759 1.00 0.00 N ATOM 293 CA ASP A 20 14.353 5.014 -5.047 1.00 0.00 C ATOM 294 C ASP A 20 14.460 6.536 -4.996 1.00 0.00 C ATOM 295 O ASP A 20 15.419 7.119 -5.497 1.00 0.00 O ATOM 296 CB ASP A 20 14.772 4.514 -6.432 1.00 0.00 C ATOM 297 CG ASP A 20 13.988 5.251 -7.511 1.00 0.00 C ATOM 298 OD1 ASP A 20 13.406 6.275 -7.195 1.00 0.00 O ATOM 299 OD2 ASP A 20 13.982 4.781 -8.636 1.00 0.00 O ATOM 0 H ASP A 20 12.346 4.683 -5.550 1.00 0.00 H new ATOM 0 HA ASP A 20 15.015 4.581 -4.297 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.841 4.671 -6.576 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.594 3.441 -6.510 1.00 0.00 H new ATOM 304 N THR A 21 13.451 7.167 -4.392 1.00 0.00 N ATOM 305 CA THR A 21 13.405 8.624 -4.275 1.00 0.00 C ATOM 306 C THR A 21 12.996 9.276 -5.596 1.00 0.00 C ATOM 307 O THR A 21 13.025 10.500 -5.725 1.00 0.00 O ATOM 308 CB THR A 21 14.766 9.169 -3.833 1.00 0.00 C ATOM 309 OG1 THR A 21 15.644 9.221 -4.949 1.00 0.00 O ATOM 310 CG2 THR A 21 15.354 8.260 -2.753 1.00 0.00 C ATOM 0 H THR A 21 12.652 6.689 -3.975 1.00 0.00 H new ATOM 0 HA THR A 21 12.656 8.870 -3.523 1.00 0.00 H new ATOM 0 HB THR A 21 14.641 10.174 -3.429 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.846 8.310 -5.249 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.323 8.648 -2.439 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.680 8.229 -1.897 1.00 0.00 H new ATOM 0 HG23 THR A 21 15.479 7.254 -3.153 1.00 0.00 H new ATOM 318 N ARG A 22 12.599 8.458 -6.567 1.00 0.00 N ATOM 319 CA ARG A 22 12.168 8.978 -7.861 1.00 0.00 C ATOM 320 C ARG A 22 10.780 9.614 -7.737 1.00 0.00 C ATOM 321 O ARG A 22 9.965 9.189 -6.919 1.00 0.00 O ATOM 322 CB ARG A 22 12.153 7.855 -8.896 1.00 0.00 C ATOM 323 CG ARG A 22 11.242 6.730 -8.412 1.00 0.00 C ATOM 324 CD ARG A 22 9.961 6.741 -9.234 1.00 0.00 C ATOM 325 NE ARG A 22 10.168 6.031 -10.489 1.00 0.00 N ATOM 326 CZ ARG A 22 11.376 5.947 -11.035 1.00 0.00 C ATOM 327 NH1 ARG A 22 11.858 6.956 -11.707 1.00 0.00 N ATOM 328 NH2 ARG A 22 12.080 4.858 -10.892 1.00 0.00 N ATOM 0 H ARG A 22 12.567 7.442 -6.484 1.00 0.00 H new ATOM 0 HA ARG A 22 12.871 9.744 -8.189 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.802 8.235 -9.855 1.00 0.00 H new ATOM 0 HB3 ARG A 22 13.163 7.477 -9.053 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.745 5.768 -8.512 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.012 6.860 -7.355 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.154 6.273 -8.671 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.656 7.768 -9.434 1.00 0.00 H new ATOM 0 HE ARG A 22 9.374 5.592 -10.955 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.307 7.808 -11.813 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.785 6.893 -12.127 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.703 4.073 -10.362 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.008 4.792 -11.311 1.00 0.00 H new ATOM 342 N PRO A 23 10.518 10.638 -8.508 1.00 0.00 N ATOM 343 CA PRO A 23 9.221 11.377 -8.465 1.00 0.00 C ATOM 344 C PRO A 23 8.000 10.465 -8.566 1.00 0.00 C ATOM 345 O PRO A 23 7.050 10.611 -7.797 1.00 0.00 O ATOM 346 CB PRO A 23 9.258 12.316 -9.678 1.00 0.00 C ATOM 347 CG PRO A 23 10.548 12.069 -10.393 1.00 0.00 C ATOM 348 CD PRO A 23 11.436 11.204 -9.497 1.00 0.00 C ATOM 0 HA PRO A 23 9.121 11.894 -7.511 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.411 12.126 -10.337 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.188 13.356 -9.361 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.365 11.568 -11.344 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.043 13.013 -10.620 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.935 10.422 -10.069 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.216 11.797 -9.020 1.00 0.00 H new ATOM 356 N LEU A 24 8.011 9.541 -9.524 1.00 0.00 N ATOM 357 CA LEU A 24 6.870 8.647 -9.706 1.00 0.00 C ATOM 358 C LEU A 24 6.539 7.939 -8.395 1.00 0.00 C ATOM 359 O LEU A 24 5.369 7.769 -8.053 1.00 0.00 O ATOM 360 CB LEU A 24 7.160 7.610 -10.794 1.00 0.00 C ATOM 361 CG LEU A 24 5.878 6.841 -11.121 1.00 0.00 C ATOM 362 CD1 LEU A 24 5.142 7.529 -12.270 1.00 0.00 C ATOM 363 CD2 LEU A 24 6.230 5.411 -11.530 1.00 0.00 C ATOM 0 H LEU A 24 8.782 9.393 -10.175 1.00 0.00 H new ATOM 0 HA LEU A 24 6.015 9.248 -10.016 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.539 8.103 -11.689 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.934 6.921 -10.457 1.00 0.00 H new ATOM 0 HG LEU A 24 5.237 6.822 -10.240 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.230 6.978 -12.500 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.887 8.548 -11.980 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.783 7.552 -13.151 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.316 4.864 -11.763 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.874 5.432 -12.409 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.751 4.916 -10.710 1.00 0.00 H new ATOM 375 N SER A 25 7.572 7.542 -7.653 1.00 0.00 N ATOM 376 CA SER A 25 7.357 6.876 -6.375 1.00 0.00 C ATOM 377 C SER A 25 6.700 7.846 -5.398 1.00 0.00 C ATOM 378 O SER A 25 5.730 7.501 -4.723 1.00 0.00 O ATOM 379 CB SER A 25 8.685 6.387 -5.800 1.00 0.00 C ATOM 380 OG SER A 25 9.481 7.507 -5.434 1.00 0.00 O ATOM 0 H SER A 25 8.551 7.668 -7.912 1.00 0.00 H new ATOM 0 HA SER A 25 6.705 6.016 -6.530 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.507 5.754 -4.931 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.210 5.778 -6.536 1.00 0.00 H new ATOM 0 HG SER A 25 9.599 8.092 -6.211 1.00 0.00 H new ATOM 386 N GLN A 26 7.213 9.074 -5.359 1.00 0.00 N ATOM 387 CA GLN A 26 6.639 10.098 -4.495 1.00 0.00 C ATOM 388 C GLN A 26 5.229 10.388 -4.977 1.00 0.00 C ATOM 389 O GLN A 26 4.321 10.668 -4.193 1.00 0.00 O ATOM 390 CB GLN A 26 7.479 11.377 -4.552 1.00 0.00 C ATOM 391 CG GLN A 26 8.854 11.117 -3.935 1.00 0.00 C ATOM 392 CD GLN A 26 9.689 12.394 -3.974 1.00 0.00 C ATOM 393 OE1 GLN A 26 9.553 13.196 -4.897 1.00 0.00 O ATOM 394 NE2 GLN A 26 10.544 12.633 -3.019 1.00 0.00 N ATOM 0 H GLN A 26 8.015 9.380 -5.909 1.00 0.00 H new ATOM 0 HA GLN A 26 6.624 9.746 -3.464 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.589 11.706 -5.585 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.974 12.180 -4.015 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.742 10.776 -2.906 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.363 10.322 -4.480 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.655 11.966 -2.255 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.102 13.487 -3.036 1.00 0.00 H new ATOM 403 N HIS A 27 5.072 10.294 -6.288 1.00 0.00 N ATOM 404 CA HIS A 27 3.794 10.515 -6.940 1.00 0.00 C ATOM 405 C HIS A 27 2.810 9.445 -6.476 1.00 0.00 C ATOM 406 O HIS A 27 1.727 9.736 -5.955 1.00 0.00 O ATOM 407 CB HIS A 27 4.019 10.383 -8.445 1.00 0.00 C ATOM 408 CG HIS A 27 3.122 11.302 -9.210 1.00 0.00 C ATOM 409 ND1 HIS A 27 1.828 11.598 -8.817 1.00 0.00 N ATOM 410 CD2 HIS A 27 3.341 12.007 -10.363 1.00 0.00 C ATOM 411 CE1 HIS A 27 1.318 12.452 -9.722 1.00 0.00 C ATOM 412 NE2 HIS A 27 2.200 12.737 -10.689 1.00 0.00 N ATOM 0 H HIS A 27 5.830 10.062 -6.930 1.00 0.00 H new ATOM 0 HA HIS A 27 3.393 11.499 -6.697 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.059 10.607 -8.681 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.837 9.353 -8.753 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.258 11.999 -10.933 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.319 12.859 -9.675 1.00 0.00 H new ATOM 0 HE2 HIS A 27 2.066 13.354 -11.490 1.00 0.00 H new ATOM 420 N ILE A 28 3.222 8.195 -6.657 1.00 0.00 N ATOM 421 CA ILE A 28 2.415 7.058 -6.252 1.00 0.00 C ATOM 422 C ILE A 28 2.250 7.036 -4.737 1.00 0.00 C ATOM 423 O ILE A 28 1.221 6.597 -4.223 1.00 0.00 O ATOM 424 CB ILE A 28 3.072 5.761 -6.730 1.00 0.00 C ATOM 425 CG1 ILE A 28 3.052 5.722 -8.261 1.00 0.00 C ATOM 426 CG2 ILE A 28 2.304 4.560 -6.175 1.00 0.00 C ATOM 427 CD1 ILE A 28 3.757 4.457 -8.755 1.00 0.00 C ATOM 0 H ILE A 28 4.115 7.947 -7.084 1.00 0.00 H new ATOM 0 HA ILE A 28 1.428 7.147 -6.705 1.00 0.00 H new ATOM 0 HB ILE A 28 4.102 5.721 -6.376 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.023 5.741 -8.621 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.547 6.606 -8.663 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.774 3.638 -6.517 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.317 4.592 -5.086 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.273 4.594 -6.526 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.740 4.433 -9.845 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.790 4.457 -8.408 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.243 3.578 -8.365 1.00 0.00 H new ATOM 439 N VAL A 29 3.265 7.517 -4.024 1.00 0.00 N ATOM 440 CA VAL A 29 3.201 7.546 -2.571 1.00 0.00 C ATOM 441 C VAL A 29 1.967 8.317 -2.127 1.00 0.00 C ATOM 442 O VAL A 29 1.214 7.858 -1.269 1.00 0.00 O ATOM 443 CB VAL A 29 4.463 8.191 -1.996 1.00 0.00 C ATOM 444 CG1 VAL A 29 4.256 8.479 -0.506 1.00 0.00 C ATOM 445 CG2 VAL A 29 5.644 7.228 -2.165 1.00 0.00 C ATOM 0 H VAL A 29 4.128 7.886 -4.424 1.00 0.00 H new ATOM 0 HA VAL A 29 3.136 6.524 -2.199 1.00 0.00 H new ATOM 0 HB VAL A 29 4.668 9.123 -2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.155 8.939 -0.096 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.412 9.157 -0.380 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.053 7.546 0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.546 7.683 -1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.435 6.299 -1.635 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.792 7.016 -3.224 1.00 0.00 H new ATOM 455 N GLN A 30 1.742 9.477 -2.740 1.00 0.00 N ATOM 456 CA GLN A 30 0.566 10.270 -2.410 1.00 0.00 C ATOM 457 C GLN A 30 -0.675 9.451 -2.705 1.00 0.00 C ATOM 458 O GLN A 30 -1.636 9.454 -1.936 1.00 0.00 O ATOM 459 CB GLN A 30 0.531 11.560 -3.229 1.00 0.00 C ATOM 460 CG GLN A 30 1.679 12.468 -2.797 1.00 0.00 C ATOM 461 CD GLN A 30 1.569 12.770 -1.306 1.00 0.00 C ATOM 462 OE1 GLN A 30 0.516 13.203 -0.836 1.00 0.00 O ATOM 463 NE2 GLN A 30 2.598 12.566 -0.529 1.00 0.00 N ATOM 0 H GLN A 30 2.347 9.881 -3.455 1.00 0.00 H new ATOM 0 HA GLN A 30 0.604 10.536 -1.354 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.614 11.331 -4.291 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.423 12.068 -3.086 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.634 11.988 -3.010 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.655 13.396 -3.368 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.469 12.207 -0.920 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.531 12.765 0.469 1.00 0.00 H new ATOM 472 N ARG A 31 -0.635 8.731 -3.821 1.00 0.00 N ATOM 473 CA ARG A 31 -1.760 7.887 -4.193 1.00 0.00 C ATOM 474 C ARG A 31 -1.958 6.812 -3.134 1.00 0.00 C ATOM 475 O ARG A 31 -3.084 6.493 -2.758 1.00 0.00 O ATOM 476 CB ARG A 31 -1.507 7.233 -5.551 1.00 0.00 C ATOM 477 CG ARG A 31 -1.473 8.308 -6.638 1.00 0.00 C ATOM 478 CD ARG A 31 -1.421 7.635 -8.009 1.00 0.00 C ATOM 479 NE ARG A 31 -1.308 8.635 -9.064 1.00 0.00 N ATOM 480 CZ ARG A 31 -1.882 8.447 -10.249 1.00 0.00 C ATOM 481 NH1 ARG A 31 -2.437 7.299 -10.527 1.00 0.00 N ATOM 482 NH2 ARG A 31 -1.888 9.406 -11.134 1.00 0.00 N ATOM 0 H ARG A 31 0.150 8.715 -4.472 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.657 8.502 -4.263 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.563 6.689 -5.534 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.290 6.506 -5.768 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.355 8.944 -6.565 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.604 8.952 -6.502 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.572 6.953 -8.054 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.319 7.037 -8.161 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.781 9.491 -8.891 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.430 6.549 -9.836 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.878 7.152 -11.435 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.452 10.302 -10.918 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.329 9.259 -12.042 1.00 0.00 H new ATOM 496 N VAL A 32 -0.850 6.272 -2.641 1.00 0.00 N ATOM 497 CA VAL A 32 -0.912 5.249 -1.608 1.00 0.00 C ATOM 498 C VAL A 32 -1.523 5.833 -0.338 1.00 0.00 C ATOM 499 O VAL A 32 -2.455 5.270 0.233 1.00 0.00 O ATOM 500 CB VAL A 32 0.498 4.727 -1.315 1.00 0.00 C ATOM 501 CG1 VAL A 32 0.474 3.816 -0.085 1.00 0.00 C ATOM 502 CG2 VAL A 32 1.008 3.936 -2.522 1.00 0.00 C ATOM 0 H VAL A 32 0.093 6.523 -2.937 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.535 4.424 -1.955 1.00 0.00 H new ATOM 0 HB VAL A 32 1.159 5.572 -1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.481 3.449 0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.114 4.378 0.777 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.189 2.971 -0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.011 3.564 -2.315 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.341 3.095 -2.714 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.035 4.585 -3.397 1.00 0.00 H new ATOM 512 N LYS A 33 -0.988 6.973 0.089 1.00 0.00 N ATOM 513 CA LYS A 33 -1.476 7.645 1.283 1.00 0.00 C ATOM 514 C LYS A 33 -2.928 8.088 1.115 1.00 0.00 C ATOM 515 O LYS A 33 -3.748 7.921 2.017 1.00 0.00 O ATOM 516 CB LYS A 33 -0.610 8.868 1.570 1.00 0.00 C ATOM 517 CG LYS A 33 0.813 8.426 1.918 1.00 0.00 C ATOM 518 CD LYS A 33 1.625 9.645 2.353 1.00 0.00 C ATOM 519 CE LYS A 33 3.081 9.238 2.587 1.00 0.00 C ATOM 520 NZ LYS A 33 3.361 9.224 4.052 1.00 0.00 N ATOM 0 H LYS A 33 -0.215 7.449 -0.377 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.423 6.941 2.114 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.594 9.526 0.701 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.035 9.440 2.395 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.791 7.685 2.717 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.281 7.952 1.055 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.572 10.421 1.589 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.204 10.068 3.265 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.268 8.253 2.160 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.751 9.936 2.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.350 8.948 4.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.198 10.173 4.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.730 8.542 4.519 1.00 0.00 H new ATOM 534 N ASN A 34 -3.228 8.675 -0.040 1.00 0.00 N ATOM 535 CA ASN A 34 -4.570 9.168 -0.317 1.00 0.00 C ATOM 536 C ASN A 34 -5.598 8.037 -0.346 1.00 0.00 C ATOM 537 O ASN A 34 -6.684 8.161 0.220 1.00 0.00 O ATOM 538 CB ASN A 34 -4.563 9.898 -1.658 1.00 0.00 C ATOM 539 CG ASN A 34 -3.615 11.095 -1.586 1.00 0.00 C ATOM 540 OD1 ASN A 34 -3.616 11.827 -0.596 1.00 0.00 O ATOM 541 ND2 ASN A 34 -2.798 11.334 -2.577 1.00 0.00 N ATOM 0 H ASN A 34 -2.560 8.820 -0.797 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.858 9.848 0.484 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.249 9.220 -2.451 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.570 10.233 -1.906 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.159 12.128 -2.531 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.799 10.726 -3.396 1.00 0.00 H new ATOM 548 N ILE A 35 -5.251 6.940 -1.008 1.00 0.00 N ATOM 549 CA ILE A 35 -6.157 5.795 -1.106 1.00 0.00 C ATOM 550 C ILE A 35 -6.357 5.127 0.251 1.00 0.00 C ATOM 551 O ILE A 35 -7.490 4.896 0.674 1.00 0.00 O ATOM 552 CB ILE A 35 -5.598 4.777 -2.096 1.00 0.00 C ATOM 553 CG1 ILE A 35 -5.579 5.391 -3.499 1.00 0.00 C ATOM 554 CG2 ILE A 35 -6.478 3.525 -2.101 1.00 0.00 C ATOM 555 CD1 ILE A 35 -4.746 4.511 -4.433 1.00 0.00 C ATOM 0 H ILE A 35 -4.357 6.816 -1.483 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.123 6.160 -1.454 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.585 4.504 -1.801 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.596 5.483 -3.880 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.161 6.397 -3.461 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.076 2.800 -2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.493 3.087 -1.103 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.493 3.795 -2.395 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.734 4.949 -5.431 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.726 4.442 -4.054 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.184 3.514 -4.480 1.00 0.00 H new ATOM 567 N LEU A 36 -5.257 4.817 0.932 1.00 0.00 N ATOM 568 CA LEU A 36 -5.348 4.176 2.239 1.00 0.00 C ATOM 569 C LEU A 36 -6.143 5.050 3.195 1.00 0.00 C ATOM 570 O LEU A 36 -6.985 4.564 3.946 1.00 0.00 O ATOM 571 CB LEU A 36 -3.948 3.937 2.807 1.00 0.00 C ATOM 572 CG LEU A 36 -3.228 2.886 1.964 1.00 0.00 C ATOM 573 CD1 LEU A 36 -1.773 2.775 2.420 1.00 0.00 C ATOM 574 CD2 LEU A 36 -3.919 1.533 2.147 1.00 0.00 C ATOM 0 H LEU A 36 -4.307 4.996 0.607 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.855 3.218 2.123 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.381 4.868 2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.016 3.604 3.842 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.259 3.177 0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.259 2.025 1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.279 3.739 2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.742 2.482 3.469 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.408 0.780 1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.883 1.245 3.198 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.958 1.609 1.827 1.00 0.00 H new ATOM 586 N ALA A 37 -5.884 6.349 3.143 1.00 0.00 N ATOM 587 CA ALA A 37 -6.596 7.289 3.991 1.00 0.00 C ATOM 588 C ALA A 37 -8.045 7.386 3.540 1.00 0.00 C ATOM 589 O ALA A 37 -8.895 7.915 4.256 1.00 0.00 O ATOM 590 CB ALA A 37 -5.937 8.667 3.919 1.00 0.00 C ATOM 0 H ALA A 37 -5.190 6.772 2.526 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.561 6.936 5.022 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.479 9.363 4.559 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.903 8.594 4.257 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.958 9.027 2.890 1.00 0.00 H new ATOM 596 N ALA A 38 -8.317 6.880 2.339 1.00 0.00 N ATOM 597 CA ALA A 38 -9.670 6.929 1.801 1.00 0.00 C ATOM 598 C ALA A 38 -10.505 5.764 2.318 1.00 0.00 C ATOM 599 O ALA A 38 -11.735 5.809 2.281 1.00 0.00 O ATOM 600 CB ALA A 38 -9.628 6.891 0.272 1.00 0.00 C ATOM 0 H ALA A 38 -7.629 6.438 1.730 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.132 7.860 2.130 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.644 6.928 -0.121 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.064 7.748 -0.098 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.146 5.970 -0.056 1.00 0.00 H new ATOM 606 N VAL A 39 -9.835 4.723 2.800 1.00 0.00 N ATOM 607 CA VAL A 39 -10.537 3.558 3.320 1.00 0.00 C ATOM 608 C VAL A 39 -10.888 3.760 4.792 1.00 0.00 C ATOM 609 O VAL A 39 -11.686 3.015 5.360 1.00 0.00 O ATOM 610 CB VAL A 39 -9.664 2.309 3.162 1.00 0.00 C ATOM 611 CG1 VAL A 39 -8.691 2.213 4.337 1.00 0.00 C ATOM 612 CG2 VAL A 39 -10.553 1.064 3.130 1.00 0.00 C ATOM 0 H VAL A 39 -8.818 4.663 2.841 1.00 0.00 H new ATOM 0 HA VAL A 39 -11.459 3.427 2.754 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.101 2.376 2.231 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.070 1.324 4.224 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.056 3.099 4.357 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.252 2.148 5.269 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.931 0.176 3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.118 0.996 4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.244 1.132 2.290 1.00 0.00 H new ATOM 622 N GLU A 40 -10.285 4.777 5.400 1.00 0.00 N ATOM 623 CA GLU A 40 -10.535 5.079 6.807 1.00 0.00 C ATOM 624 C GLU A 40 -10.661 3.794 7.619 1.00 0.00 C ATOM 625 O GLU A 40 -9.696 3.044 7.763 1.00 0.00 O ATOM 626 CB GLU A 40 -11.815 5.906 6.955 1.00 0.00 C ATOM 627 CG GLU A 40 -11.663 7.226 6.197 1.00 0.00 C ATOM 628 CD GLU A 40 -12.878 8.114 6.443 1.00 0.00 C ATOM 629 OE1 GLU A 40 -13.813 7.645 7.072 1.00 0.00 O ATOM 630 OE2 GLU A 40 -12.857 9.251 5.999 1.00 0.00 O ATOM 0 H GLU A 40 -9.622 5.404 4.944 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.690 5.655 7.185 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.667 5.348 6.567 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.014 6.101 8.009 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.757 7.738 6.521 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.555 7.031 5.130 1.00 0.00 H new ATOM 637 N ALA A 41 -11.854 3.551 8.152 1.00 0.00 N ATOM 638 CA ALA A 41 -12.089 2.356 8.953 1.00 0.00 C ATOM 639 C ALA A 41 -11.594 2.572 10.378 1.00 0.00 C ATOM 640 O ALA A 41 -10.811 3.485 10.641 1.00 0.00 O ATOM 641 CB ALA A 41 -11.370 1.157 8.330 1.00 0.00 C ATOM 0 H ALA A 41 -12.666 4.159 8.045 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.160 2.156 8.977 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.552 0.269 8.936 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.747 0.991 7.321 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.299 1.356 8.289 1.00 0.00 H new ATOM 647 N THR A 42 -12.055 1.728 11.295 1.00 0.00 N ATOM 648 CA THR A 42 -11.651 1.841 12.691 1.00 0.00 C ATOM 649 C THR A 42 -10.226 1.330 12.883 1.00 0.00 C ATOM 650 O THR A 42 -9.682 1.383 13.985 1.00 0.00 O ATOM 651 CB THR A 42 -12.611 1.045 13.578 1.00 0.00 C ATOM 652 OG1 THR A 42 -12.552 -0.329 13.223 1.00 0.00 O ATOM 653 CG2 THR A 42 -14.037 1.565 13.386 1.00 0.00 C ATOM 0 H THR A 42 -12.703 0.965 11.099 1.00 0.00 H new ATOM 0 HA THR A 42 -11.684 2.893 12.976 1.00 0.00 H new ATOM 0 HB THR A 42 -12.323 1.162 14.623 1.00 0.00 H new ATOM 0 HG1 THR A 42 -13.165 -0.840 13.791 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.720 0.997 14.018 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.080 2.619 13.661 1.00 0.00 H new ATOM 0 HG23 THR A 42 -14.329 1.450 12.342 1.00 0.00 H new ATOM 661 N VAL A 43 -9.632 0.833 11.804 1.00 0.00 N ATOM 662 CA VAL A 43 -8.276 0.314 11.861 1.00 0.00 C ATOM 663 C VAL A 43 -7.368 1.081 10.907 1.00 0.00 C ATOM 664 O VAL A 43 -7.158 0.668 9.766 1.00 0.00 O ATOM 665 CB VAL A 43 -8.277 -1.165 11.486 1.00 0.00 C ATOM 666 CG1 VAL A 43 -8.688 -2.007 12.698 1.00 0.00 C ATOM 667 CG2 VAL A 43 -9.271 -1.397 10.347 1.00 0.00 C ATOM 0 H VAL A 43 -10.068 0.780 10.884 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.899 0.435 12.877 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.276 -1.457 11.167 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.687 -3.062 12.425 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.982 -1.842 13.512 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.688 -1.716 13.021 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.274 -2.453 10.076 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.269 -1.102 10.670 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.979 -0.802 9.482 1.00 0.00 H new ATOM 677 N PRO A 44 -6.828 2.181 11.357 1.00 0.00 N ATOM 678 CA PRO A 44 -5.922 3.018 10.530 1.00 0.00 C ATOM 679 C PRO A 44 -4.647 2.266 10.155 1.00 0.00 C ATOM 680 O PRO A 44 -4.182 1.406 10.902 1.00 0.00 O ATOM 681 CB PRO A 44 -5.599 4.242 11.394 1.00 0.00 C ATOM 682 CG PRO A 44 -6.332 4.087 12.693 1.00 0.00 C ATOM 683 CD PRO A 44 -7.029 2.726 12.702 1.00 0.00 C ATOM 0 HA PRO A 44 -6.392 3.296 9.586 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.525 4.316 11.567 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.905 5.158 10.889 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.638 4.162 13.530 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.063 4.887 12.813 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.602 2.070 13.460 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.090 2.829 12.931 1.00 0.00 H new ATOM 691 N ILE A 45 -4.092 2.593 8.993 1.00 0.00 N ATOM 692 CA ILE A 45 -2.876 1.936 8.525 1.00 0.00 C ATOM 693 C ILE A 45 -1.666 2.851 8.680 1.00 0.00 C ATOM 694 O ILE A 45 -1.764 4.062 8.481 1.00 0.00 O ATOM 695 CB ILE A 45 -3.014 1.560 7.052 1.00 0.00 C ATOM 696 CG1 ILE A 45 -4.266 0.705 6.855 1.00 0.00 C ATOM 697 CG2 ILE A 45 -1.774 0.773 6.618 1.00 0.00 C ATOM 698 CD1 ILE A 45 -5.339 1.528 6.139 1.00 0.00 C ATOM 0 H ILE A 45 -4.461 3.304 8.361 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.731 1.041 9.129 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.103 2.463 6.448 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.024 -0.183 6.271 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.640 0.361 7.819 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.865 0.501 5.566 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.885 1.388 6.758 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.688 -0.131 7.221 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.232 0.918 5.999 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.588 2.403 6.740 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.963 1.850 5.168 1.00 0.00 H new ATOM 710 N SER A 46 -0.520 2.263 9.009 1.00 0.00 N ATOM 711 CA SER A 46 0.703 3.040 9.154 1.00 0.00 C ATOM 712 C SER A 46 1.566 2.842 7.913 1.00 0.00 C ATOM 713 O SER A 46 1.847 1.711 7.520 1.00 0.00 O ATOM 714 CB SER A 46 1.471 2.591 10.397 1.00 0.00 C ATOM 715 OG SER A 46 2.589 3.447 10.592 1.00 0.00 O ATOM 0 H SER A 46 -0.414 1.263 9.178 1.00 0.00 H new ATOM 0 HA SER A 46 0.451 4.095 9.265 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.820 2.619 11.271 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.804 1.560 10.280 1.00 0.00 H new ATOM 0 HG SER A 46 3.083 3.163 11.389 1.00 0.00 H new ATOM 721 N LEU A 47 1.966 3.941 7.282 1.00 0.00 N ATOM 722 CA LEU A 47 2.773 3.845 6.072 1.00 0.00 C ATOM 723 C LEU A 47 4.223 4.229 6.345 1.00 0.00 C ATOM 724 O LEU A 47 4.505 5.310 6.861 1.00 0.00 O ATOM 725 CB LEU A 47 2.198 4.764 4.991 1.00 0.00 C ATOM 726 CG LEU A 47 2.442 4.161 3.602 1.00 0.00 C ATOM 727 CD1 LEU A 47 2.163 5.220 2.535 1.00 0.00 C ATOM 728 CD2 LEU A 47 3.894 3.691 3.473 1.00 0.00 C ATOM 0 H LEU A 47 1.750 4.892 7.581 1.00 0.00 H new ATOM 0 HA LEU A 47 2.748 2.810 5.730 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.129 4.904 5.153 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.662 5.748 5.055 1.00 0.00 H new ATOM 0 HG LEU A 47 1.778 3.308 3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.336 4.795 1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.127 5.550 2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.827 6.071 2.685 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.052 3.265 2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.565 4.538 3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.100 2.934 4.230 1.00 0.00 H new ATOM 740 N GLN A 48 5.138 3.343 5.971 1.00 0.00 N ATOM 741 CA GLN A 48 6.556 3.595 6.150 1.00 0.00 C ATOM 742 C GLN A 48 7.284 3.396 4.823 1.00 0.00 C ATOM 743 O GLN A 48 7.083 2.393 4.140 1.00 0.00 O ATOM 744 CB GLN A 48 7.115 2.645 7.207 1.00 0.00 C ATOM 745 CG GLN A 48 6.909 3.245 8.599 1.00 0.00 C ATOM 746 CD GLN A 48 7.775 4.490 8.765 1.00 0.00 C ATOM 747 OE1 GLN A 48 8.924 4.511 8.324 1.00 0.00 O ATOM 748 NE2 GLN A 48 7.290 5.534 9.380 1.00 0.00 N ATOM 0 H GLN A 48 4.920 2.444 5.542 1.00 0.00 H new ATOM 0 HA GLN A 48 6.705 4.622 6.483 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.617 1.677 7.140 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.176 2.471 7.029 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.859 3.501 8.742 1.00 0.00 H new ATOM 0 HG3 GLN A 48 7.165 2.510 9.362 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.338 5.514 9.745 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.863 6.370 9.496 1.00 0.00 H new ATOM 757 N VAL A 49 8.117 4.358 4.454 1.00 0.00 N ATOM 758 CA VAL A 49 8.851 4.269 3.194 1.00 0.00 C ATOM 759 C VAL A 49 10.276 3.803 3.424 1.00 0.00 C ATOM 760 O VAL A 49 10.950 4.259 4.347 1.00 0.00 O ATOM 761 CB VAL A 49 8.888 5.626 2.491 1.00 0.00 C ATOM 762 CG1 VAL A 49 9.402 5.441 1.060 1.00 0.00 C ATOM 763 CG2 VAL A 49 7.481 6.227 2.462 1.00 0.00 C ATOM 0 H VAL A 49 8.302 5.200 4.999 1.00 0.00 H new ATOM 0 HA VAL A 49 8.330 3.545 2.568 1.00 0.00 H new ATOM 0 HB VAL A 49 9.553 6.300 3.031 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.430 6.407 0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.406 5.016 1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.737 4.768 0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.509 7.194 1.961 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.811 5.558 1.923 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.120 6.357 3.482 1.00 0.00 H new ATOM 773 N ILE A 50 10.733 2.907 2.566 1.00 0.00 N ATOM 774 CA ILE A 50 12.084 2.401 2.667 1.00 0.00 C ATOM 775 C ILE A 50 12.861 2.778 1.419 1.00 0.00 C ATOM 776 O ILE A 50 12.425 2.507 0.301 1.00 0.00 O ATOM 777 CB ILE A 50 12.061 0.884 2.820 1.00 0.00 C ATOM 778 CG1 ILE A 50 11.120 0.512 3.966 1.00 0.00 C ATOM 779 CG2 ILE A 50 13.471 0.384 3.128 1.00 0.00 C ATOM 780 CD1 ILE A 50 11.227 -0.986 4.257 1.00 0.00 C ATOM 0 H ILE A 50 10.188 2.519 1.796 1.00 0.00 H new ATOM 0 HA ILE A 50 12.567 2.839 3.541 1.00 0.00 H new ATOM 0 HB ILE A 50 11.711 0.424 1.896 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.374 1.084 4.858 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.094 0.769 3.704 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.457 -0.700 3.238 1.00 0.00 H new ATOM 0 HG22 ILE A 50 14.140 0.657 2.312 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.824 0.838 4.054 1.00 0.00 H new ATOM 0 HD11 ILE A 50 10.555 -1.247 5.074 1.00 0.00 H new ATOM 0 HD12 ILE A 50 10.951 -1.550 3.366 1.00 0.00 H new ATOM 0 HD13 ILE A 50 12.252 -1.230 4.538 1.00 0.00 H new ATOM 792 N ASN A 51 14.013 3.403 1.608 1.00 0.00 N ATOM 793 CA ASN A 51 14.824 3.802 0.477 1.00 0.00 C ATOM 794 C ASN A 51 15.666 2.622 0.004 1.00 0.00 C ATOM 795 O ASN A 51 16.639 2.240 0.653 1.00 0.00 O ATOM 796 CB ASN A 51 15.740 4.961 0.876 1.00 0.00 C ATOM 797 CG ASN A 51 14.942 6.259 0.950 1.00 0.00 C ATOM 798 OD1 ASN A 51 15.092 7.027 1.901 1.00 0.00 O ATOM 799 ND2 ASN A 51 14.102 6.553 -0.004 1.00 0.00 N ATOM 0 H ASN A 51 14.400 3.641 2.521 1.00 0.00 H new ATOM 0 HA ASN A 51 14.170 4.125 -0.333 1.00 0.00 H new ATOM 0 HB2 ASN A 51 16.202 4.754 1.841 1.00 0.00 H new ATOM 0 HB3 ASN A 51 16.548 5.062 0.151 1.00 0.00 H new ATOM 0 HD21 ASN A 51 13.568 7.421 0.037 1.00 0.00 H new ATOM 0 HD22 ASN A 51 13.980 5.915 -0.790 1.00 0.00 H new ATOM 806 N VAL A 52 15.276 2.040 -1.123 1.00 0.00 N ATOM 807 CA VAL A 52 15.992 0.894 -1.669 1.00 0.00 C ATOM 808 C VAL A 52 17.454 1.242 -1.934 1.00 0.00 C ATOM 809 O VAL A 52 18.309 0.358 -2.001 1.00 0.00 O ATOM 810 CB VAL A 52 15.328 0.439 -2.969 1.00 0.00 C ATOM 811 CG1 VAL A 52 13.882 0.021 -2.686 1.00 0.00 C ATOM 812 CG2 VAL A 52 15.335 1.595 -3.974 1.00 0.00 C ATOM 0 H VAL A 52 14.472 2.341 -1.674 1.00 0.00 H new ATOM 0 HA VAL A 52 15.955 0.087 -0.938 1.00 0.00 H new ATOM 0 HB VAL A 52 15.877 -0.408 -3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.409 -0.303 -3.613 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.874 -0.799 -1.968 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.332 0.868 -2.275 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.862 1.273 -4.902 1.00 0.00 H new ATOM 0 HG22 VAL A 52 14.785 2.440 -3.560 1.00 0.00 H new ATOM 0 HG23 VAL A 52 16.363 1.895 -4.176 1.00 0.00 H new ATOM 822 N ALA A 53 17.735 2.531 -2.087 1.00 0.00 N ATOM 823 CA ALA A 53 19.094 2.983 -2.348 1.00 0.00 C ATOM 824 C ALA A 53 19.953 2.873 -1.096 1.00 0.00 C ATOM 825 O ALA A 53 21.165 2.674 -1.183 1.00 0.00 O ATOM 826 CB ALA A 53 19.079 4.436 -2.823 1.00 0.00 C ATOM 0 H ALA A 53 17.042 3.278 -2.035 1.00 0.00 H new ATOM 0 HA ALA A 53 19.519 2.346 -3.123 1.00 0.00 H new ATOM 0 HB1 ALA A 53 20.100 4.766 -3.016 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.493 4.513 -3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.633 5.066 -2.053 1.00 0.00 H new ATOM 832 N ASP A 54 19.328 3.018 0.068 1.00 0.00 N ATOM 833 CA ASP A 54 20.065 2.947 1.318 1.00 0.00 C ATOM 834 C ASP A 54 20.034 1.540 1.897 1.00 0.00 C ATOM 835 O ASP A 54 20.956 1.129 2.602 1.00 0.00 O ATOM 836 CB ASP A 54 19.473 3.929 2.330 1.00 0.00 C ATOM 837 CG ASP A 54 19.646 5.361 1.835 1.00 0.00 C ATOM 838 OD1 ASP A 54 20.576 5.597 1.082 1.00 0.00 O ATOM 839 OD2 ASP A 54 18.850 6.202 2.221 1.00 0.00 O ATOM 0 H ASP A 54 18.327 3.183 0.169 1.00 0.00 H new ATOM 0 HA ASP A 54 21.102 3.212 1.112 1.00 0.00 H new ATOM 0 HB2 ASP A 54 18.415 3.714 2.481 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.964 3.808 3.296 1.00 0.00 H new ATOM 844 N GLN A 55 18.969 0.808 1.606 1.00 0.00 N ATOM 845 CA GLN A 55 18.835 -0.548 2.117 1.00 0.00 C ATOM 846 C GLN A 55 18.351 -1.495 1.025 1.00 0.00 C ATOM 847 O GLN A 55 17.188 -1.883 0.996 1.00 0.00 O ATOM 848 CB GLN A 55 17.859 -0.556 3.291 1.00 0.00 C ATOM 849 CG GLN A 55 16.512 0.016 2.844 1.00 0.00 C ATOM 850 CD GLN A 55 16.330 1.414 3.425 1.00 0.00 C ATOM 851 OE1 GLN A 55 16.784 1.690 4.536 1.00 0.00 O ATOM 852 NE2 GLN A 55 15.691 2.316 2.738 1.00 0.00 N ATOM 0 H GLN A 55 18.193 1.125 1.025 1.00 0.00 H new ATOM 0 HA GLN A 55 19.812 -0.893 2.454 1.00 0.00 H new ATOM 0 HB2 GLN A 55 17.729 -1.573 3.661 1.00 0.00 H new ATOM 0 HB3 GLN A 55 18.261 0.034 4.115 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.466 0.055 1.756 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.702 -0.634 3.175 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.316 2.085 1.818 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.565 3.254 3.120 1.00 0.00 H new ATOM 861 N PRO A 56 19.227 -1.858 0.130 1.00 0.00 N ATOM 862 CA PRO A 56 18.925 -2.781 -1.001 1.00 0.00 C ATOM 863 C PRO A 56 18.969 -4.257 -0.589 1.00 0.00 C ATOM 864 O PRO A 56 18.615 -5.141 -1.374 1.00 0.00 O ATOM 865 CB PRO A 56 20.040 -2.489 -2.020 1.00 0.00 C ATOM 866 CG PRO A 56 20.917 -1.433 -1.412 1.00 0.00 C ATOM 867 CD PRO A 56 20.616 -1.415 0.083 1.00 0.00 C ATOM 0 HA PRO A 56 17.918 -2.619 -1.386 1.00 0.00 H new ATOM 0 HB2 PRO A 56 20.613 -3.391 -2.235 1.00 0.00 H new ATOM 0 HB3 PRO A 56 19.620 -2.145 -2.965 1.00 0.00 H new ATOM 0 HG2 PRO A 56 21.969 -1.654 -1.592 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.715 -0.459 -1.858 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.274 -2.084 0.638 1.00 0.00 H new ATOM 0 HD3 PRO A 56 20.739 -0.420 0.510 1.00 0.00 H new ATOM 875 N GLN A 57 19.439 -4.521 0.628 1.00 0.00 N ATOM 876 CA GLN A 57 19.566 -5.900 1.103 1.00 0.00 C ATOM 877 C GLN A 57 18.205 -6.555 1.328 1.00 0.00 C ATOM 878 O GLN A 57 17.978 -7.683 0.887 1.00 0.00 O ATOM 879 CB GLN A 57 20.364 -5.925 2.408 1.00 0.00 C ATOM 880 CG GLN A 57 20.733 -7.367 2.757 1.00 0.00 C ATOM 881 CD GLN A 57 21.473 -7.408 4.089 1.00 0.00 C ATOM 882 OE1 GLN A 57 21.764 -8.485 4.607 1.00 0.00 O ATOM 883 NE2 GLN A 57 21.796 -6.289 4.679 1.00 0.00 N ATOM 0 H GLN A 57 19.735 -3.810 1.297 1.00 0.00 H new ATOM 0 HA GLN A 57 20.087 -6.467 0.331 1.00 0.00 H new ATOM 0 HB2 GLN A 57 21.267 -5.323 2.305 1.00 0.00 H new ATOM 0 HB3 GLN A 57 19.777 -5.484 3.214 1.00 0.00 H new ATOM 0 HG2 GLN A 57 19.832 -7.978 2.813 1.00 0.00 H new ATOM 0 HG3 GLN A 57 21.358 -7.792 1.971 1.00 0.00 H new ATOM 0 HE21 GLN A 57 21.554 -5.397 4.248 1.00 0.00 H new ATOM 0 HE22 GLN A 57 22.290 -6.307 5.571 1.00 0.00 H new ATOM 892 N LEU A 58 17.290 -5.857 1.994 1.00 0.00 N ATOM 893 CA LEU A 58 15.967 -6.423 2.224 1.00 0.00 C ATOM 894 C LEU A 58 15.179 -6.422 0.918 1.00 0.00 C ATOM 895 O LEU A 58 14.230 -7.188 0.750 1.00 0.00 O ATOM 896 CB LEU A 58 15.209 -5.664 3.320 1.00 0.00 C ATOM 897 CG LEU A 58 15.653 -4.206 3.361 1.00 0.00 C ATOM 898 CD1 LEU A 58 15.522 -3.609 1.966 1.00 0.00 C ATOM 899 CD2 LEU A 58 14.765 -3.429 4.339 1.00 0.00 C ATOM 0 H LEU A 58 17.435 -4.922 2.375 1.00 0.00 H new ATOM 0 HA LEU A 58 16.087 -7.449 2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 58 14.136 -5.719 3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 58 15.389 -6.133 4.287 1.00 0.00 H new ATOM 0 HG LEU A 58 16.690 -4.144 3.691 1.00 0.00 H new ATOM 0 HD11 LEU A 58 15.837 -2.566 1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 58 16.151 -4.165 1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 58 14.483 -3.668 1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 58 15.082 -2.387 4.369 1.00 0.00 H new ATOM 0 HD22 LEU A 58 13.727 -3.483 4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 58 14.853 -3.864 5.335 1.00 0.00 H new ATOM 911 N VAL A 59 15.595 -5.564 -0.011 1.00 0.00 N ATOM 912 CA VAL A 59 14.941 -5.479 -1.309 1.00 0.00 C ATOM 913 C VAL A 59 15.077 -6.817 -2.020 1.00 0.00 C ATOM 914 O VAL A 59 14.103 -7.352 -2.547 1.00 0.00 O ATOM 915 CB VAL A 59 15.602 -4.378 -2.141 1.00 0.00 C ATOM 916 CG1 VAL A 59 15.004 -4.347 -3.545 1.00 0.00 C ATOM 917 CG2 VAL A 59 15.376 -3.026 -1.464 1.00 0.00 C ATOM 0 H VAL A 59 16.378 -4.922 0.112 1.00 0.00 H new ATOM 0 HA VAL A 59 13.885 -5.241 -1.179 1.00 0.00 H new ATOM 0 HB VAL A 59 16.670 -4.582 -2.214 1.00 0.00 H new ATOM 0 HG11 VAL A 59 15.483 -3.559 -4.127 1.00 0.00 H new ATOM 0 HG12 VAL A 59 15.168 -5.308 -4.032 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.934 -4.151 -3.480 1.00 0.00 H new ATOM 0 HG21 VAL A 59 15.846 -2.240 -2.055 1.00 0.00 H new ATOM 0 HG22 VAL A 59 14.306 -2.832 -1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.814 -3.041 -0.466 1.00 0.00 H new ATOM 927 N GLU A 60 16.289 -7.364 -2.012 1.00 0.00 N ATOM 928 CA GLU A 60 16.520 -8.653 -2.644 1.00 0.00 C ATOM 929 C GLU A 60 15.787 -9.733 -1.860 1.00 0.00 C ATOM 930 O GLU A 60 15.249 -10.679 -2.433 1.00 0.00 O ATOM 931 CB GLU A 60 18.017 -8.961 -2.689 1.00 0.00 C ATOM 932 CG GLU A 60 18.712 -7.944 -3.596 1.00 0.00 C ATOM 933 CD GLU A 60 20.189 -8.293 -3.733 1.00 0.00 C ATOM 934 OE1 GLU A 60 20.639 -9.172 -3.017 1.00 0.00 O ATOM 935 OE2 GLU A 60 20.849 -7.677 -4.554 1.00 0.00 O ATOM 0 H GLU A 60 17.112 -6.941 -1.582 1.00 0.00 H new ATOM 0 HA GLU A 60 16.143 -8.626 -3.667 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.439 -8.919 -1.685 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.182 -9.972 -3.062 1.00 0.00 H new ATOM 0 HG2 GLU A 60 18.239 -7.937 -4.578 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.603 -6.941 -3.182 1.00 0.00 H new ATOM 942 N TYR A 61 15.752 -9.562 -0.541 1.00 0.00 N ATOM 943 CA TYR A 61 15.059 -10.505 0.327 1.00 0.00 C ATOM 944 C TYR A 61 13.597 -10.618 -0.087 1.00 0.00 C ATOM 945 O TYR A 61 13.035 -11.711 -0.141 1.00 0.00 O ATOM 946 CB TYR A 61 15.146 -10.026 1.778 1.00 0.00 C ATOM 947 CG TYR A 61 14.335 -10.937 2.666 1.00 0.00 C ATOM 948 CD1 TYR A 61 14.888 -12.131 3.142 1.00 0.00 C ATOM 949 CD2 TYR A 61 13.027 -10.583 3.015 1.00 0.00 C ATOM 950 CE1 TYR A 61 14.130 -12.973 3.968 1.00 0.00 C ATOM 951 CE2 TYR A 61 12.270 -11.421 3.840 1.00 0.00 C ATOM 952 CZ TYR A 61 12.821 -12.617 4.316 1.00 0.00 C ATOM 953 OH TYR A 61 12.073 -13.444 5.129 1.00 0.00 O ATOM 0 H TYR A 61 16.194 -8.783 -0.053 1.00 0.00 H new ATOM 0 HA TYR A 61 15.531 -11.484 0.238 1.00 0.00 H new ATOM 0 HB2 TYR A 61 16.186 -10.015 2.105 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.776 -9.004 1.856 1.00 0.00 H new ATOM 0 HD1 TYR A 61 15.898 -12.404 2.873 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.601 -9.661 2.647 1.00 0.00 H new ATOM 0 HE1 TYR A 61 14.555 -13.895 4.336 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.261 -11.146 4.110 1.00 0.00 H new ATOM 0 HH TYR A 61 11.188 -13.048 5.273 1.00 0.00 H new ATOM 963 N TYR A 62 12.994 -9.471 -0.377 1.00 0.00 N ATOM 964 CA TYR A 62 11.603 -9.422 -0.791 1.00 0.00 C ATOM 965 C TYR A 62 11.487 -9.557 -2.305 1.00 0.00 C ATOM 966 O TYR A 62 10.441 -9.258 -2.881 1.00 0.00 O ATOM 967 CB TYR A 62 11.000 -8.086 -0.360 1.00 0.00 C ATOM 968 CG TYR A 62 10.926 -8.013 1.144 1.00 0.00 C ATOM 969 CD1 TYR A 62 10.153 -8.938 1.854 1.00 0.00 C ATOM 970 CD2 TYR A 62 11.633 -7.017 1.826 1.00 0.00 C ATOM 971 CE1 TYR A 62 10.088 -8.868 3.250 1.00 0.00 C ATOM 972 CE2 TYR A 62 11.568 -6.946 3.223 1.00 0.00 C ATOM 973 CZ TYR A 62 10.795 -7.871 3.935 1.00 0.00 C ATOM 974 OH TYR A 62 10.731 -7.803 5.312 1.00 0.00 O ATOM 0 H TYR A 62 13.452 -8.561 -0.332 1.00 0.00 H new ATOM 0 HA TYR A 62 11.068 -10.248 -0.323 1.00 0.00 H new ATOM 0 HB2 TYR A 62 11.606 -7.264 -0.743 1.00 0.00 H new ATOM 0 HB3 TYR A 62 10.003 -7.973 -0.787 1.00 0.00 H new ATOM 0 HD1 TYR A 62 9.607 -9.705 1.325 1.00 0.00 H new ATOM 0 HD2 TYR A 62 12.228 -6.304 1.276 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.493 -9.582 3.799 1.00 0.00 H new ATOM 0 HE2 TYR A 62 12.114 -6.178 3.751 1.00 0.00 H new ATOM 0 HH TYR A 62 11.280 -7.055 5.628 1.00 0.00 H new ATOM 984 N ARG A 63 12.571 -9.974 -2.952 1.00 0.00 N ATOM 985 CA ARG A 63 12.563 -10.100 -4.404 1.00 0.00 C ATOM 986 C ARG A 63 12.141 -8.768 -5.010 1.00 0.00 C ATOM 987 O ARG A 63 11.946 -8.644 -6.218 1.00 0.00 O ATOM 988 CB ARG A 63 11.601 -11.202 -4.843 1.00 0.00 C ATOM 989 CG ARG A 63 12.136 -12.558 -4.380 1.00 0.00 C ATOM 990 CD ARG A 63 11.321 -13.674 -5.030 1.00 0.00 C ATOM 991 NE ARG A 63 11.740 -14.973 -4.516 1.00 0.00 N ATOM 992 CZ ARG A 63 10.910 -15.732 -3.808 1.00 0.00 C ATOM 993 NH1 ARG A 63 9.673 -15.881 -4.195 1.00 0.00 N ATOM 994 NH2 ARG A 63 11.334 -16.326 -2.727 1.00 0.00 N ATOM 0 H ARG A 63 13.451 -10.226 -2.503 1.00 0.00 H new ATOM 0 HA ARG A 63 13.562 -10.366 -4.749 1.00 0.00 H new ATOM 0 HB2 ARG A 63 10.612 -11.026 -4.421 1.00 0.00 H new ATOM 0 HB3 ARG A 63 11.491 -11.193 -5.927 1.00 0.00 H new ATOM 0 HG2 ARG A 63 13.188 -12.657 -4.648 1.00 0.00 H new ATOM 0 HG3 ARG A 63 12.076 -12.634 -3.294 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.260 -13.522 -4.831 1.00 0.00 H new ATOM 0 HD3 ARG A 63 11.450 -13.645 -6.112 1.00 0.00 H new ATOM 0 HE ARG A 63 12.686 -15.305 -4.703 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.344 -15.415 -5.040 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.035 -16.463 -3.652 1.00 0.00 H new ATOM 0 HH21 ARG A 63 12.301 -16.208 -2.426 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.698 -16.909 -2.183 1.00 0.00 H new ATOM 1008 N LEU A 64 12.008 -7.777 -4.135 1.00 0.00 N ATOM 1009 CA LEU A 64 11.612 -6.434 -4.535 1.00 0.00 C ATOM 1010 C LEU A 64 12.623 -5.868 -5.528 1.00 0.00 C ATOM 1011 O LEU A 64 13.272 -4.860 -5.266 1.00 0.00 O ATOM 1012 CB LEU A 64 11.553 -5.557 -3.281 1.00 0.00 C ATOM 1013 CG LEU A 64 10.653 -4.342 -3.494 1.00 0.00 C ATOM 1014 CD1 LEU A 64 11.207 -3.443 -4.591 1.00 0.00 C ATOM 1015 CD2 LEU A 64 9.253 -4.810 -3.875 1.00 0.00 C ATOM 0 H LEU A 64 12.171 -7.882 -3.134 1.00 0.00 H new ATOM 0 HA LEU A 64 10.635 -6.457 -5.018 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.182 -6.144 -2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.558 -5.226 -3.019 1.00 0.00 H new ATOM 0 HG LEU A 64 10.614 -3.770 -2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.549 -2.584 -4.725 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.202 -3.098 -4.310 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.267 -4.003 -5.524 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.609 -3.944 -4.028 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.302 -5.392 -4.795 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.846 -5.429 -3.075 1.00 0.00 H new ATOM 1027 N VAL A 65 12.753 -6.526 -6.667 1.00 0.00 N ATOM 1028 CA VAL A 65 13.698 -6.090 -7.686 1.00 0.00 C ATOM 1029 C VAL A 65 13.094 -5.004 -8.566 1.00 0.00 C ATOM 1030 O VAL A 65 13.733 -4.534 -9.508 1.00 0.00 O ATOM 1031 CB VAL A 65 14.091 -7.278 -8.558 1.00 0.00 C ATOM 1032 CG1 VAL A 65 15.442 -7.005 -9.224 1.00 0.00 C ATOM 1033 CG2 VAL A 65 14.198 -8.536 -7.692 1.00 0.00 C ATOM 0 H VAL A 65 12.220 -7.361 -6.911 1.00 0.00 H new ATOM 0 HA VAL A 65 14.576 -5.683 -7.184 1.00 0.00 H new ATOM 0 HB VAL A 65 13.332 -7.426 -9.326 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.720 -7.856 -9.846 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.368 -6.111 -9.844 1.00 0.00 H new ATOM 0 HG13 VAL A 65 16.202 -6.853 -8.457 1.00 0.00 H new ATOM 0 HG21 VAL A 65 14.479 -9.384 -8.316 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.955 -8.385 -6.923 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.236 -8.736 -7.220 1.00 0.00 H new ATOM 1043 N VAL A 66 11.861 -4.609 -8.267 1.00 0.00 N ATOM 1044 CA VAL A 66 11.203 -3.586 -9.056 1.00 0.00 C ATOM 1045 C VAL A 66 10.700 -2.449 -8.176 1.00 0.00 C ATOM 1046 O VAL A 66 10.243 -2.669 -7.055 1.00 0.00 O ATOM 1047 CB VAL A 66 10.025 -4.195 -9.801 1.00 0.00 C ATOM 1048 CG1 VAL A 66 10.532 -5.142 -10.888 1.00 0.00 C ATOM 1049 CG2 VAL A 66 9.145 -4.967 -8.817 1.00 0.00 C ATOM 0 H VAL A 66 11.307 -4.978 -7.494 1.00 0.00 H new ATOM 0 HA VAL A 66 11.930 -3.184 -9.762 1.00 0.00 H new ATOM 0 HB VAL A 66 9.442 -3.399 -10.265 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.684 -5.575 -11.418 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.155 -4.589 -11.591 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.120 -5.939 -10.432 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.300 -5.404 -9.350 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.730 -5.760 -8.351 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.777 -4.288 -8.048 1.00 0.00 H new ATOM 1059 N THR A 67 10.773 -1.235 -8.705 1.00 0.00 N ATOM 1060 CA THR A 67 10.310 -0.063 -7.975 1.00 0.00 C ATOM 1061 C THR A 67 9.574 0.882 -8.924 1.00 0.00 C ATOM 1062 O THR A 67 9.881 0.934 -10.115 1.00 0.00 O ATOM 1063 CB THR A 67 11.498 0.661 -7.338 1.00 0.00 C ATOM 1064 OG1 THR A 67 12.563 0.737 -8.276 1.00 0.00 O ATOM 1065 CG2 THR A 67 11.962 -0.107 -6.098 1.00 0.00 C ATOM 0 H THR A 67 11.147 -1.037 -9.633 1.00 0.00 H new ATOM 0 HA THR A 67 9.627 -0.383 -7.188 1.00 0.00 H new ATOM 0 HB THR A 67 11.196 1.667 -7.047 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.324 1.202 -7.870 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.808 0.410 -5.645 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.145 -0.164 -5.379 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.264 -1.114 -6.386 1.00 0.00 H new ATOM 1073 N PRO A 68 8.616 1.619 -8.428 1.00 0.00 N ATOM 1074 CA PRO A 68 8.213 1.587 -6.998 1.00 0.00 C ATOM 1075 C PRO A 68 7.397 0.342 -6.673 1.00 0.00 C ATOM 1076 O PRO A 68 6.844 -0.299 -7.567 1.00 0.00 O ATOM 1077 CB PRO A 68 7.357 2.848 -6.808 1.00 0.00 C ATOM 1078 CG PRO A 68 7.299 3.542 -8.137 1.00 0.00 C ATOM 1079 CD PRO A 68 7.809 2.567 -9.193 1.00 0.00 C ATOM 0 HA PRO A 68 9.080 1.560 -6.338 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.356 2.587 -6.465 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.793 3.500 -6.051 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.278 3.851 -8.363 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.909 4.445 -8.124 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.988 2.069 -9.708 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.402 3.075 -9.954 1.00 0.00 H new ATOM 1087 N ALA A 69 7.329 0.001 -5.393 1.00 0.00 N ATOM 1088 CA ALA A 69 6.578 -1.173 -4.978 1.00 0.00 C ATOM 1089 C ALA A 69 6.051 -1.004 -3.554 1.00 0.00 C ATOM 1090 O ALA A 69 6.690 -0.364 -2.719 1.00 0.00 O ATOM 1091 CB ALA A 69 7.474 -2.408 -5.044 1.00 0.00 C ATOM 0 H ALA A 69 7.779 0.513 -4.634 1.00 0.00 H new ATOM 0 HA ALA A 69 5.731 -1.295 -5.653 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.908 -3.286 -4.732 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.826 -2.548 -6.066 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.329 -2.273 -4.381 1.00 0.00 H new ATOM 1097 N LEU A 70 4.888 -1.588 -3.283 1.00 0.00 N ATOM 1098 CA LEU A 70 4.292 -1.503 -1.955 1.00 0.00 C ATOM 1099 C LEU A 70 4.176 -2.897 -1.349 1.00 0.00 C ATOM 1100 O LEU A 70 3.737 -3.833 -2.018 1.00 0.00 O ATOM 1101 CB LEU A 70 2.908 -0.858 -2.049 1.00 0.00 C ATOM 1102 CG LEU A 70 2.469 -0.375 -0.670 1.00 0.00 C ATOM 1103 CD1 LEU A 70 1.230 0.512 -0.815 1.00 0.00 C ATOM 1104 CD2 LEU A 70 2.137 -1.578 0.210 1.00 0.00 C ATOM 0 H LEU A 70 4.343 -2.122 -3.960 1.00 0.00 H new ATOM 0 HA LEU A 70 4.928 -0.890 -1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.933 -0.021 -2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.187 -1.577 -2.439 1.00 0.00 H new ATOM 0 HG LEU A 70 3.275 0.197 -0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.914 0.859 0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.469 1.370 -1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.424 -0.061 -1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.823 -1.233 1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.331 -2.152 -0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.020 -2.210 0.311 1.00 0.00 H new ATOM 1116 N VAL A 71 4.586 -3.044 -0.090 1.00 0.00 N ATOM 1117 CA VAL A 71 4.528 -4.353 0.553 1.00 0.00 C ATOM 1118 C VAL A 71 3.796 -4.311 1.893 1.00 0.00 C ATOM 1119 O VAL A 71 4.132 -3.527 2.779 1.00 0.00 O ATOM 1120 CB VAL A 71 5.945 -4.883 0.769 1.00 0.00 C ATOM 1121 CG1 VAL A 71 5.876 -6.294 1.359 1.00 0.00 C ATOM 1122 CG2 VAL A 71 6.688 -4.924 -0.570 1.00 0.00 C ATOM 0 H VAL A 71 4.953 -2.292 0.493 1.00 0.00 H new ATOM 0 HA VAL A 71 3.969 -5.015 -0.109 1.00 0.00 H new ATOM 0 HB VAL A 71 6.477 -4.226 1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.886 -6.673 1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.350 -6.264 2.313 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.343 -6.950 0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.698 -5.302 -0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.158 -5.580 -1.260 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.737 -3.919 -0.990 1.00 0.00 H new ATOM 1132 N LYS A 72 2.814 -5.199 2.032 1.00 0.00 N ATOM 1133 CA LYS A 72 2.048 -5.311 3.270 1.00 0.00 C ATOM 1134 C LYS A 72 2.660 -6.393 4.148 1.00 0.00 C ATOM 1135 O LYS A 72 2.948 -7.490 3.671 1.00 0.00 O ATOM 1136 CB LYS A 72 0.597 -5.684 2.967 1.00 0.00 C ATOM 1137 CG LYS A 72 -0.244 -5.501 4.229 1.00 0.00 C ATOM 1138 CD LYS A 72 -1.429 -6.466 4.196 1.00 0.00 C ATOM 1139 CE LYS A 72 -2.588 -5.888 5.007 1.00 0.00 C ATOM 1140 NZ LYS A 72 -2.270 -5.973 6.461 1.00 0.00 N ATOM 0 H LYS A 72 2.530 -5.852 1.301 1.00 0.00 H new ATOM 0 HA LYS A 72 2.073 -4.350 3.783 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.209 -5.059 2.163 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.539 -6.717 2.624 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.364 -5.686 5.114 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.600 -4.473 4.296 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.743 -6.636 3.166 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.134 -7.433 4.604 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.763 -4.850 4.722 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.505 -6.436 4.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.066 -5.595 7.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.107 -6.966 6.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.414 -5.417 6.662 1.00 0.00 H new ATOM 1154 N ILE A 73 2.860 -6.094 5.424 1.00 0.00 N ATOM 1155 CA ILE A 73 3.443 -7.084 6.321 1.00 0.00 C ATOM 1156 C ILE A 73 2.398 -7.660 7.275 1.00 0.00 C ATOM 1157 O ILE A 73 2.589 -8.748 7.818 1.00 0.00 O ATOM 1158 CB ILE A 73 4.607 -6.476 7.112 1.00 0.00 C ATOM 1159 CG1 ILE A 73 4.372 -4.973 7.298 1.00 0.00 C ATOM 1160 CG2 ILE A 73 5.917 -6.708 6.354 1.00 0.00 C ATOM 1161 CD1 ILE A 73 5.033 -4.192 6.157 1.00 0.00 C ATOM 0 H ILE A 73 2.634 -5.197 5.854 1.00 0.00 H new ATOM 0 HA ILE A 73 3.823 -7.901 5.707 1.00 0.00 H new ATOM 0 HB ILE A 73 4.670 -6.952 8.091 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.302 -4.764 7.320 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.780 -4.649 8.255 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.744 -6.276 6.917 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.082 -7.778 6.231 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.859 -6.235 5.374 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.860 -3.125 6.298 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.105 -4.389 6.155 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.604 -4.506 5.205 1.00 0.00 H new ATOM 1173 N GLY A 74 1.290 -6.947 7.474 1.00 0.00 N ATOM 1174 CA GLY A 74 0.246 -7.449 8.362 1.00 0.00 C ATOM 1175 C GLY A 74 -0.447 -6.320 9.120 1.00 0.00 C ATOM 1176 O GLY A 74 -0.219 -5.141 8.846 1.00 0.00 O ATOM 0 H GLY A 74 1.095 -6.043 7.044 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.491 -8.002 7.780 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.681 -8.151 9.074 1.00 0.00 H new ATOM 1180 N PRO A 75 -1.287 -6.665 10.065 1.00 0.00 N ATOM 1181 CA PRO A 75 -1.572 -8.087 10.408 1.00 0.00 C ATOM 1182 C PRO A 75 -2.188 -8.844 9.235 1.00 0.00 C ATOM 1183 O PRO A 75 -2.627 -8.240 8.256 1.00 0.00 O ATOM 1184 CB PRO A 75 -2.548 -8.035 11.588 1.00 0.00 C ATOM 1185 CG PRO A 75 -2.802 -6.593 11.905 1.00 0.00 C ATOM 1186 CD PRO A 75 -2.045 -5.726 10.897 1.00 0.00 C ATOM 0 HA PRO A 75 -0.653 -8.619 10.655 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.480 -8.541 11.336 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.130 -8.549 12.453 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.870 -6.379 11.860 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.474 -6.366 12.919 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.733 -5.134 10.294 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.381 -5.025 11.403 1.00 0.00 H new ATOM 1194 N GLY A 76 -2.208 -10.168 9.339 1.00 0.00 N ATOM 1195 CA GLY A 76 -2.762 -10.999 8.275 1.00 0.00 C ATOM 1196 C GLY A 76 -1.655 -11.520 7.363 1.00 0.00 C ATOM 1197 O GLY A 76 -0.473 -11.433 7.697 1.00 0.00 O ATOM 0 H GLY A 76 -1.851 -10.686 10.142 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.307 -11.837 8.709 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.478 -10.421 7.691 1.00 0.00 H new ATOM 1201 N SER A 77 -2.045 -12.068 6.217 1.00 0.00 N ATOM 1202 CA SER A 77 -1.074 -12.608 5.271 1.00 0.00 C ATOM 1203 C SER A 77 -0.204 -11.506 4.679 1.00 0.00 C ATOM 1204 O SER A 77 -0.575 -10.332 4.682 1.00 0.00 O ATOM 1205 CB SER A 77 -1.791 -13.347 4.142 1.00 0.00 C ATOM 1206 OG SER A 77 -0.914 -13.474 3.031 1.00 0.00 O ATOM 0 H SER A 77 -3.018 -12.150 5.922 1.00 0.00 H new ATOM 0 HA SER A 77 -0.433 -13.301 5.816 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.110 -14.332 4.482 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.690 -12.804 3.850 1.00 0.00 H new ATOM 0 HG SER A 77 -1.371 -13.949 2.306 1.00 0.00 H new ATOM 1212 N ARG A 78 0.954 -11.903 4.168 1.00 0.00 N ATOM 1213 CA ARG A 78 1.888 -10.958 3.562 1.00 0.00 C ATOM 1214 C ARG A 78 1.581 -10.797 2.075 1.00 0.00 C ATOM 1215 O ARG A 78 1.232 -11.765 1.399 1.00 0.00 O ATOM 1216 CB ARG A 78 3.322 -11.464 3.729 1.00 0.00 C ATOM 1217 CG ARG A 78 4.308 -10.367 3.317 1.00 0.00 C ATOM 1218 CD ARG A 78 5.740 -10.871 3.505 1.00 0.00 C ATOM 1219 NE ARG A 78 6.050 -11.897 2.516 1.00 0.00 N ATOM 1220 CZ ARG A 78 7.153 -11.828 1.779 1.00 0.00 C ATOM 1221 NH1 ARG A 78 7.182 -11.072 0.714 1.00 0.00 N ATOM 1222 NH2 ARG A 78 8.209 -12.515 2.118 1.00 0.00 N ATOM 0 H ARG A 78 1.271 -12.873 4.160 1.00 0.00 H new ATOM 0 HA ARG A 78 1.781 -9.994 4.059 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.497 -11.753 4.765 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.477 -12.354 3.119 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.143 -10.087 2.276 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.144 -9.472 3.917 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.440 -10.041 3.410 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.861 -11.276 4.510 1.00 0.00 H new ATOM 0 HE ARG A 78 5.409 -12.680 2.388 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.357 -10.534 0.448 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.029 -11.020 0.149 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.188 -13.106 2.949 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.056 -12.462 1.552 1.00 0.00 H new ATOM 1236 N GLN A 79 1.712 -9.576 1.570 1.00 0.00 N ATOM 1237 CA GLN A 79 1.443 -9.315 0.160 1.00 0.00 C ATOM 1238 C GLN A 79 2.425 -8.290 -0.395 1.00 0.00 C ATOM 1239 O GLN A 79 2.935 -7.445 0.341 1.00 0.00 O ATOM 1240 CB GLN A 79 0.012 -8.804 -0.008 1.00 0.00 C ATOM 1241 CG GLN A 79 -0.968 -9.899 0.408 1.00 0.00 C ATOM 1242 CD GLN A 79 -2.399 -9.407 0.244 1.00 0.00 C ATOM 1243 OE1 GLN A 79 -2.977 -8.853 1.180 1.00 0.00 O ATOM 1244 NE2 GLN A 79 -3.009 -9.572 -0.897 1.00 0.00 N ATOM 0 H GLN A 79 2.000 -8.759 2.108 1.00 0.00 H new ATOM 0 HA GLN A 79 1.564 -10.246 -0.394 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -0.142 -7.913 0.600 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.164 -8.517 -1.045 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.809 -10.790 -0.199 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.789 -10.184 1.445 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.528 -10.031 -1.671 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.967 -9.242 -1.016 1.00 0.00 H new ATOM 1253 N VAL A 80 2.687 -8.370 -1.696 1.00 0.00 N ATOM 1254 CA VAL A 80 3.612 -7.442 -2.337 1.00 0.00 C ATOM 1255 C VAL A 80 3.002 -6.853 -3.604 1.00 0.00 C ATOM 1256 O VAL A 80 2.570 -7.583 -4.496 1.00 0.00 O ATOM 1257 CB VAL A 80 4.911 -8.170 -2.691 1.00 0.00 C ATOM 1258 CG1 VAL A 80 5.897 -7.187 -3.328 1.00 0.00 C ATOM 1259 CG2 VAL A 80 5.526 -8.760 -1.419 1.00 0.00 C ATOM 0 H VAL A 80 2.276 -9.062 -2.323 1.00 0.00 H new ATOM 0 HA VAL A 80 3.820 -6.630 -1.640 1.00 0.00 H new ATOM 0 HB VAL A 80 4.695 -8.971 -3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.820 -7.709 -3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.459 -6.769 -4.234 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.114 -6.383 -2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.451 -9.279 -1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.739 -7.958 -0.712 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.826 -9.464 -0.969 1.00 0.00 H new ATOM 1269 N LEU A 81 2.987 -5.527 -3.682 1.00 0.00 N ATOM 1270 CA LEU A 81 2.448 -4.844 -4.851 1.00 0.00 C ATOM 1271 C LEU A 81 3.561 -4.074 -5.549 1.00 0.00 C ATOM 1272 O LEU A 81 4.302 -3.334 -4.903 1.00 0.00 O ATOM 1273 CB LEU A 81 1.355 -3.866 -4.430 1.00 0.00 C ATOM 1274 CG LEU A 81 0.415 -4.536 -3.427 1.00 0.00 C ATOM 1275 CD1 LEU A 81 -0.642 -3.530 -2.978 1.00 0.00 C ATOM 1276 CD2 LEU A 81 -0.275 -5.730 -4.087 1.00 0.00 C ATOM 0 H LEU A 81 3.340 -4.907 -2.953 1.00 0.00 H new ATOM 0 HA LEU A 81 2.027 -5.586 -5.529 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.802 -2.977 -3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.793 -3.537 -5.304 1.00 0.00 H new ATOM 0 HG LEU A 81 0.989 -4.879 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.314 -4.004 -2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.155 -2.676 -2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.212 -3.191 -3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.944 -6.206 -3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.849 -5.388 -4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.476 -6.449 -4.414 1.00 0.00 H new ATOM 1288 N SER A 82 3.685 -4.243 -6.858 1.00 0.00 N ATOM 1289 CA SER A 82 4.728 -3.534 -7.586 1.00 0.00 C ATOM 1290 C SER A 82 4.406 -3.399 -9.059 1.00 0.00 C ATOM 1291 O SER A 82 3.523 -4.073 -9.589 1.00 0.00 O ATOM 1292 CB SER A 82 6.062 -4.255 -7.448 1.00 0.00 C ATOM 1293 OG SER A 82 7.050 -3.544 -8.181 1.00 0.00 O ATOM 0 H SER A 82 3.093 -4.849 -7.426 1.00 0.00 H new ATOM 0 HA SER A 82 4.788 -2.537 -7.149 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.347 -4.321 -6.398 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.979 -5.276 -7.821 1.00 0.00 H new ATOM 0 HG SER A 82 7.026 -2.597 -7.929 1.00 0.00 H new ATOM 1299 N GLY A 83 5.158 -2.527 -9.710 1.00 0.00 N ATOM 1300 CA GLY A 83 4.988 -2.300 -11.141 1.00 0.00 C ATOM 1301 C GLY A 83 3.985 -1.186 -11.418 1.00 0.00 C ATOM 1302 O GLY A 83 2.980 -1.399 -12.095 1.00 0.00 O ATOM 0 H GLY A 83 5.890 -1.965 -9.275 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.949 -2.043 -11.586 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.651 -3.220 -11.618 1.00 0.00 H new ATOM 1306 N ILE A 84 4.277 -0.003 -10.890 1.00 0.00 N ATOM 1307 CA ILE A 84 3.415 1.170 -11.069 1.00 0.00 C ATOM 1308 C ILE A 84 1.931 0.817 -10.954 1.00 0.00 C ATOM 1309 O ILE A 84 1.067 1.670 -11.159 1.00 0.00 O ATOM 1310 CB ILE A 84 3.691 1.819 -12.430 1.00 0.00 C ATOM 1311 CG1 ILE A 84 3.076 0.978 -13.555 1.00 0.00 C ATOM 1312 CG2 ILE A 84 5.202 1.911 -12.648 1.00 0.00 C ATOM 1313 CD1 ILE A 84 3.222 1.722 -14.884 1.00 0.00 C ATOM 0 H ILE A 84 5.110 0.175 -10.329 1.00 0.00 H new ATOM 0 HA ILE A 84 3.649 1.873 -10.269 1.00 0.00 H new ATOM 0 HB ILE A 84 3.247 2.814 -12.443 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.571 0.009 -13.612 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.023 0.786 -13.347 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.403 2.372 -13.615 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.647 2.516 -11.858 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.634 0.911 -12.626 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.785 1.125 -15.685 1.00 0.00 H new ATOM 0 HD12 ILE A 84 2.706 2.680 -14.823 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.278 1.891 -15.092 1.00 0.00 H new ATOM 1325 N ASP A 85 1.637 -0.433 -10.617 1.00 0.00 N ATOM 1326 CA ASP A 85 0.253 -0.868 -10.469 1.00 0.00 C ATOM 1327 C ASP A 85 -0.133 -0.859 -8.997 1.00 0.00 C ATOM 1328 O ASP A 85 -1.179 -1.378 -8.609 1.00 0.00 O ATOM 1329 CB ASP A 85 0.084 -2.280 -11.037 1.00 0.00 C ATOM 1330 CG ASP A 85 0.857 -3.280 -10.183 1.00 0.00 C ATOM 1331 OD1 ASP A 85 1.253 -2.914 -9.090 1.00 0.00 O ATOM 1332 OD2 ASP A 85 1.040 -4.398 -10.636 1.00 0.00 O ATOM 0 H ASP A 85 2.332 -1.159 -10.442 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.395 -0.184 -11.017 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.972 -2.548 -11.060 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.443 -2.313 -12.066 1.00 0.00 H new ATOM 1337 N LEU A 86 0.737 -0.273 -8.184 1.00 0.00 N ATOM 1338 CA LEU A 86 0.511 -0.202 -6.751 1.00 0.00 C ATOM 1339 C LEU A 86 -0.904 0.273 -6.441 1.00 0.00 C ATOM 1340 O LEU A 86 -1.605 -0.328 -5.629 1.00 0.00 O ATOM 1341 CB LEU A 86 1.512 0.770 -6.121 1.00 0.00 C ATOM 1342 CG LEU A 86 2.943 0.382 -6.523 1.00 0.00 C ATOM 1343 CD1 LEU A 86 3.335 1.057 -7.847 1.00 0.00 C ATOM 1344 CD2 LEU A 86 3.912 0.827 -5.425 1.00 0.00 C ATOM 0 H LEU A 86 1.606 0.160 -8.496 1.00 0.00 H new ATOM 0 HA LEU A 86 0.643 -1.202 -6.337 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.297 1.788 -6.446 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.413 0.754 -5.036 1.00 0.00 H new ATOM 0 HG LEU A 86 2.991 -0.699 -6.652 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.352 0.770 -8.115 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.650 0.741 -8.633 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.282 2.140 -7.733 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.929 0.554 -5.705 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.848 1.908 -5.299 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.650 0.336 -4.488 1.00 0.00 H new ATOM 1356 N THR A 87 -1.313 1.365 -7.077 1.00 0.00 N ATOM 1357 CA THR A 87 -2.642 1.916 -6.838 1.00 0.00 C ATOM 1358 C THR A 87 -3.735 0.998 -7.372 1.00 0.00 C ATOM 1359 O THR A 87 -4.768 0.817 -6.728 1.00 0.00 O ATOM 1360 CB THR A 87 -2.763 3.291 -7.496 1.00 0.00 C ATOM 1361 OG1 THR A 87 -2.819 3.135 -8.905 1.00 0.00 O ATOM 1362 CG2 THR A 87 -1.549 4.143 -7.125 1.00 0.00 C ATOM 0 H THR A 87 -0.751 1.881 -7.754 1.00 0.00 H new ATOM 0 HA THR A 87 -2.773 2.008 -5.760 1.00 0.00 H new ATOM 0 HB THR A 87 -3.671 3.783 -7.147 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.898 4.015 -9.329 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.635 5.123 -7.594 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.505 4.261 -6.042 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.640 3.653 -7.474 1.00 0.00 H new ATOM 1370 N ASP A 88 -3.512 0.418 -8.545 1.00 0.00 N ATOM 1371 CA ASP A 88 -4.501 -0.473 -9.125 1.00 0.00 C ATOM 1372 C ASP A 88 -4.568 -1.762 -8.318 1.00 0.00 C ATOM 1373 O ASP A 88 -5.649 -2.243 -7.975 1.00 0.00 O ATOM 1374 CB ASP A 88 -4.128 -0.783 -10.574 1.00 0.00 C ATOM 1375 CG ASP A 88 -4.243 0.480 -11.421 1.00 0.00 C ATOM 1376 OD1 ASP A 88 -4.803 1.448 -10.934 1.00 0.00 O ATOM 1377 OD2 ASP A 88 -3.772 0.461 -12.547 1.00 0.00 O ATOM 0 H ASP A 88 -2.668 0.547 -9.103 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.478 0.010 -9.104 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.111 -1.172 -10.622 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.784 -1.558 -10.970 1.00 0.00 H new ATOM 1382 N GLN A 89 -3.399 -2.305 -8.000 1.00 0.00 N ATOM 1383 CA GLN A 89 -3.332 -3.525 -7.214 1.00 0.00 C ATOM 1384 C GLN A 89 -3.813 -3.251 -5.790 1.00 0.00 C ATOM 1385 O GLN A 89 -4.611 -4.007 -5.239 1.00 0.00 O ATOM 1386 CB GLN A 89 -1.894 -4.049 -7.200 1.00 0.00 C ATOM 1387 CG GLN A 89 -1.908 -5.575 -7.308 1.00 0.00 C ATOM 1388 CD GLN A 89 -0.483 -6.117 -7.283 1.00 0.00 C ATOM 1389 OE1 GLN A 89 -0.280 -7.331 -7.249 1.00 0.00 O ATOM 1390 NE2 GLN A 89 0.522 -5.285 -7.296 1.00 0.00 N ATOM 0 H GLN A 89 -2.494 -1.922 -8.273 1.00 0.00 H new ATOM 0 HA GLN A 89 -3.978 -4.281 -7.661 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -1.331 -3.620 -8.029 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.393 -3.743 -6.282 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.481 -6.000 -6.484 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.404 -5.877 -8.230 1.00 0.00 H new ATOM 0 HE21 GLN A 89 0.352 -4.280 -7.324 1.00 0.00 H new ATOM 0 HE22 GLN A 89 1.478 -5.640 -7.278 1.00 0.00 H new ATOM 1399 N LEU A 90 -3.332 -2.155 -5.202 1.00 0.00 N ATOM 1400 CA LEU A 90 -3.733 -1.789 -3.847 1.00 0.00 C ATOM 1401 C LEU A 90 -5.250 -1.670 -3.746 1.00 0.00 C ATOM 1402 O LEU A 90 -5.861 -2.177 -2.806 1.00 0.00 O ATOM 1403 CB LEU A 90 -3.092 -0.457 -3.458 1.00 0.00 C ATOM 1404 CG LEU A 90 -3.530 -0.065 -2.045 1.00 0.00 C ATOM 1405 CD1 LEU A 90 -2.847 -0.978 -1.026 1.00 0.00 C ATOM 1406 CD2 LEU A 90 -3.137 1.389 -1.782 1.00 0.00 C ATOM 0 H LEU A 90 -2.671 -1.512 -5.639 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.396 -2.571 -3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.006 -0.539 -3.503 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.383 0.318 -4.167 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.611 -0.172 -1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.159 -0.698 -0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.129 -2.013 -1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.765 -0.874 -1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.447 1.673 -0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.056 1.496 -1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.628 2.036 -2.509 1.00 0.00 H new ATOM 1418 N ALA A 91 -5.851 -0.993 -4.721 1.00 0.00 N ATOM 1419 CA ALA A 91 -7.297 -0.810 -4.729 1.00 0.00 C ATOM 1420 C ALA A 91 -8.000 -2.161 -4.697 1.00 0.00 C ATOM 1421 O ALA A 91 -9.011 -2.332 -4.017 1.00 0.00 O ATOM 1422 CB ALA A 91 -7.723 -0.046 -5.985 1.00 0.00 C ATOM 0 H ALA A 91 -5.363 -0.566 -5.508 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.578 -0.238 -3.845 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.805 0.085 -5.981 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.239 0.930 -5.999 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.429 -0.609 -6.871 1.00 0.00 H new ATOM 1428 N ASN A 92 -7.449 -3.115 -5.436 1.00 0.00 N ATOM 1429 CA ASN A 92 -8.016 -4.454 -5.491 1.00 0.00 C ATOM 1430 C ASN A 92 -7.577 -5.281 -4.289 1.00 0.00 C ATOM 1431 O ASN A 92 -8.327 -6.115 -3.787 1.00 0.00 O ATOM 1432 CB ASN A 92 -7.556 -5.146 -6.771 1.00 0.00 C ATOM 1433 CG ASN A 92 -8.279 -4.555 -7.978 1.00 0.00 C ATOM 1434 OD1 ASN A 92 -9.326 -3.927 -7.830 1.00 0.00 O ATOM 1435 ND2 ASN A 92 -7.776 -4.720 -9.171 1.00 0.00 N ATOM 0 H ASN A 92 -6.612 -2.986 -6.004 1.00 0.00 H new ATOM 0 HA ASN A 92 -9.103 -4.370 -5.478 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.479 -5.029 -6.890 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.755 -6.216 -6.707 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.251 -4.328 -9.984 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.907 -5.241 -9.291 1.00 0.00 H new ATOM 1442 N GLN A 93 -6.345 -5.055 -3.855 1.00 0.00 N ATOM 1443 CA GLN A 93 -5.785 -5.794 -2.736 1.00 0.00 C ATOM 1444 C GLN A 93 -6.321 -5.288 -1.403 1.00 0.00 C ATOM 1445 O GLN A 93 -6.532 -6.070 -0.475 1.00 0.00 O ATOM 1446 CB GLN A 93 -4.268 -5.651 -2.755 1.00 0.00 C ATOM 1447 CG GLN A 93 -3.725 -6.220 -4.063 1.00 0.00 C ATOM 1448 CD GLN A 93 -3.340 -7.683 -3.880 1.00 0.00 C ATOM 1449 OE1 GLN A 93 -2.729 -8.044 -2.875 1.00 0.00 O ATOM 1450 NE2 GLN A 93 -3.661 -8.548 -4.799 1.00 0.00 N ATOM 0 H GLN A 93 -5.715 -4.364 -4.263 1.00 0.00 H new ATOM 0 HA GLN A 93 -6.074 -6.840 -2.840 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -3.989 -4.602 -2.658 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.831 -6.177 -1.907 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.476 -6.129 -4.847 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.857 -5.645 -4.386 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -4.168 -8.244 -5.631 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -3.406 -9.529 -4.687 1.00 0.00 H new ATOM 1459 N LEU A 94 -6.526 -3.981 -1.303 1.00 0.00 N ATOM 1460 CA LEU A 94 -7.022 -3.405 -0.064 1.00 0.00 C ATOM 1461 C LEU A 94 -8.294 -4.124 0.390 1.00 0.00 C ATOM 1462 O LEU A 94 -8.321 -4.703 1.476 1.00 0.00 O ATOM 1463 CB LEU A 94 -7.262 -1.902 -0.242 1.00 0.00 C ATOM 1464 CG LEU A 94 -8.101 -1.371 0.921 1.00 0.00 C ATOM 1465 CD1 LEU A 94 -7.467 -1.802 2.246 1.00 0.00 C ATOM 1466 CD2 LEU A 94 -8.149 0.157 0.856 1.00 0.00 C ATOM 0 H LEU A 94 -6.359 -3.310 -2.053 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.272 -3.538 0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.309 -1.375 -0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.773 -1.715 -1.186 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.112 -1.772 0.853 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.065 -1.424 3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.428 -2.890 2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.456 -1.399 2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.747 0.538 1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.137 0.556 0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.598 0.467 -0.088 1.00 0.00 H new ATOM 1478 N PRO A 95 -9.333 -4.130 -0.411 1.00 0.00 N ATOM 1479 CA PRO A 95 -10.598 -4.832 -0.061 1.00 0.00 C ATOM 1480 C PRO A 95 -10.330 -6.258 0.414 1.00 0.00 C ATOM 1481 O PRO A 95 -10.950 -6.740 1.362 1.00 0.00 O ATOM 1482 CB PRO A 95 -11.400 -4.865 -1.370 1.00 0.00 C ATOM 1483 CG PRO A 95 -10.558 -4.209 -2.422 1.00 0.00 C ATOM 1484 CD PRO A 95 -9.428 -3.468 -1.715 1.00 0.00 C ATOM 0 HA PRO A 95 -11.123 -4.327 0.750 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.636 -5.891 -1.651 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.348 -4.340 -1.254 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.156 -4.953 -3.109 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -11.157 -3.518 -3.015 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.493 -3.543 -2.270 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.652 -2.406 -1.609 1.00 0.00 H new ATOM 1492 N GLN A 96 -9.398 -6.926 -0.261 1.00 0.00 N ATOM 1493 CA GLN A 96 -9.045 -8.301 0.080 1.00 0.00 C ATOM 1494 C GLN A 96 -8.504 -8.381 1.501 1.00 0.00 C ATOM 1495 O GLN A 96 -8.750 -9.352 2.217 1.00 0.00 O ATOM 1496 CB GLN A 96 -7.988 -8.816 -0.897 1.00 0.00 C ATOM 1497 CG GLN A 96 -8.583 -8.863 -2.303 1.00 0.00 C ATOM 1498 CD GLN A 96 -7.544 -9.372 -3.297 1.00 0.00 C ATOM 1499 OE1 GLN A 96 -7.855 -9.581 -4.470 1.00 0.00 O ATOM 1500 NE2 GLN A 96 -6.317 -9.576 -2.899 1.00 0.00 N ATOM 0 H GLN A 96 -8.875 -6.538 -1.046 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.942 -8.917 0.012 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.113 -8.166 -0.881 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.652 -9.809 -0.598 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.457 -9.514 -2.314 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.921 -7.869 -2.596 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.061 -9.403 -1.927 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.615 -9.909 -3.560 1.00 0.00 H new ATOM 1509 N TRP A 97 -7.766 -7.355 1.899 1.00 0.00 N ATOM 1510 CA TRP A 97 -7.189 -7.316 3.237 1.00 0.00 C ATOM 1511 C TRP A 97 -8.294 -7.242 4.284 1.00 0.00 C ATOM 1512 O TRP A 97 -8.235 -7.919 5.311 1.00 0.00 O ATOM 1513 CB TRP A 97 -6.268 -6.101 3.364 1.00 0.00 C ATOM 1514 CG TRP A 97 -5.235 -6.144 2.282 1.00 0.00 C ATOM 1515 CD1 TRP A 97 -4.983 -7.211 1.489 1.00 0.00 C ATOM 1516 CD2 TRP A 97 -4.318 -5.093 1.855 1.00 0.00 C ATOM 1517 NE1 TRP A 97 -3.968 -6.885 0.607 1.00 0.00 N ATOM 1518 CE2 TRP A 97 -3.525 -5.590 0.792 1.00 0.00 C ATOM 1519 CE3 TRP A 97 -4.099 -3.771 2.283 1.00 0.00 C ATOM 1520 CZ2 TRP A 97 -2.550 -4.804 0.177 1.00 0.00 C ATOM 1521 CZ3 TRP A 97 -3.118 -2.977 1.665 1.00 0.00 C ATOM 1522 CH2 TRP A 97 -2.347 -3.493 0.614 1.00 0.00 C ATOM 0 H TRP A 97 -7.553 -6.543 1.320 1.00 0.00 H new ATOM 0 HA TRP A 97 -6.611 -8.225 3.402 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -6.849 -5.182 3.291 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -5.786 -6.097 4.342 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.492 -8.163 1.537 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -3.593 -7.523 -0.094 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.688 -3.364 3.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.957 -5.206 -0.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -2.957 -1.963 2.002 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -1.596 -2.877 0.142 1.00 0.00 H new ATOM 1533 N LEU A 98 -9.306 -6.426 4.012 1.00 0.00 N ATOM 1534 CA LEU A 98 -10.427 -6.281 4.926 1.00 0.00 C ATOM 1535 C LEU A 98 -11.249 -7.564 4.958 1.00 0.00 C ATOM 1536 O LEU A 98 -11.744 -7.974 6.008 1.00 0.00 O ATOM 1537 CB LEU A 98 -11.303 -5.116 4.469 1.00 0.00 C ATOM 1538 CG LEU A 98 -10.456 -3.846 4.406 1.00 0.00 C ATOM 1539 CD1 LEU A 98 -11.242 -2.743 3.698 1.00 0.00 C ATOM 1540 CD2 LEU A 98 -10.114 -3.396 5.827 1.00 0.00 C ATOM 0 H LEU A 98 -9.371 -5.857 3.168 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.049 -6.083 5.929 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.732 -5.330 3.490 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -12.135 -4.979 5.159 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.537 -4.047 3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.638 -1.837 3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -11.489 -3.065 2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.160 -2.540 4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.510 -2.490 5.786 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.034 -3.194 6.376 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.555 -4.183 6.333 1.00 0.00 H new ATOM 1552 N VAL A 99 -11.386 -8.192 3.793 1.00 0.00 N ATOM 1553 CA VAL A 99 -12.146 -9.435 3.685 1.00 0.00 C ATOM 1554 C VAL A 99 -11.478 -10.543 4.490 1.00 0.00 C ATOM 1555 O VAL A 99 -12.142 -11.297 5.200 1.00 0.00 O ATOM 1556 CB VAL A 99 -12.253 -9.855 2.218 1.00 0.00 C ATOM 1557 CG1 VAL A 99 -12.819 -11.274 2.132 1.00 0.00 C ATOM 1558 CG2 VAL A 99 -13.186 -8.891 1.480 1.00 0.00 C ATOM 0 H VAL A 99 -10.984 -7.863 2.915 1.00 0.00 H new ATOM 0 HA VAL A 99 -13.145 -9.265 4.086 1.00 0.00 H new ATOM 0 HB VAL A 99 -11.264 -9.830 1.760 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -12.895 -11.573 1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -12.158 -11.962 2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -13.808 -11.300 2.589 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -13.264 -9.189 0.434 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -14.174 -8.918 1.939 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -12.785 -7.879 1.540 1.00 0.00 H new ATOM 1568 N GLN A 100 -10.158 -10.625 4.382 1.00 0.00 N ATOM 1569 CA GLN A 100 -9.404 -11.633 5.111 1.00 0.00 C ATOM 1570 C GLN A 100 -9.893 -13.037 4.764 1.00 0.00 C ATOM 1571 O GLN A 100 -11.093 -13.311 4.789 1.00 0.00 O ATOM 1572 CB GLN A 100 -9.561 -11.397 6.612 1.00 0.00 C ATOM 1573 CG GLN A 100 -9.066 -9.991 6.958 1.00 0.00 C ATOM 1574 CD GLN A 100 -9.233 -9.736 8.451 1.00 0.00 C ATOM 1575 OE1 GLN A 100 -8.413 -10.182 9.254 1.00 0.00 O ATOM 1576 NE2 GLN A 100 -10.256 -9.042 8.875 1.00 0.00 N ATOM 0 H GLN A 100 -9.591 -10.009 3.800 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.355 -11.553 4.828 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -10.606 -11.509 6.902 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -8.994 -12.142 7.170 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.018 -9.885 6.677 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.625 -9.249 6.388 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.934 -8.674 8.208 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -10.376 -8.869 9.873 1.00 0.00 H new ATOM 1585 N GLN A 101 -8.953 -13.923 4.451 1.00 0.00 N ATOM 1586 CA GLN A 101 -9.296 -15.298 4.112 1.00 0.00 C ATOM 1587 C GLN A 101 -10.265 -15.343 2.934 1.00 0.00 C ATOM 1588 O GLN A 101 -10.303 -14.428 2.112 1.00 0.00 O ATOM 1589 CB GLN A 101 -9.935 -15.978 5.324 1.00 0.00 C ATOM 1590 CG GLN A 101 -8.933 -16.000 6.479 1.00 0.00 C ATOM 1591 CD GLN A 101 -9.597 -16.563 7.732 1.00 0.00 C ATOM 1592 OE1 GLN A 101 -10.814 -16.744 7.762 1.00 0.00 O ATOM 1593 NE2 GLN A 101 -8.866 -16.843 8.775 1.00 0.00 N ATOM 0 H GLN A 101 -7.955 -13.715 4.425 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.383 -15.822 3.829 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -10.838 -15.444 5.621 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -10.235 -16.994 5.069 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -8.069 -16.608 6.211 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -8.566 -14.992 6.673 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -7.858 -16.692 8.747 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -9.303 -17.213 9.619 1.00 0.00 H new ATOM 1602 N GLU A 102 -11.047 -16.417 2.864 1.00 0.00 N ATOM 1603 CA GLU A 102 -12.017 -16.578 1.786 1.00 0.00 C ATOM 1604 C GLU A 102 -11.329 -16.516 0.426 1.00 0.00 C ATOM 1605 O GLU A 102 -10.231 -15.975 0.298 1.00 0.00 O ATOM 1606 CB GLU A 102 -13.076 -15.477 1.871 1.00 0.00 C ATOM 1607 CG GLU A 102 -13.803 -15.570 3.214 1.00 0.00 C ATOM 1608 CD GLU A 102 -14.503 -16.920 3.335 1.00 0.00 C ATOM 1609 OE1 GLU A 102 -14.660 -17.577 2.319 1.00 0.00 O ATOM 1610 OE2 GLU A 102 -14.873 -17.275 4.441 1.00 0.00 O ATOM 0 H GLU A 102 -11.028 -17.184 3.536 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.492 -17.553 1.895 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -12.608 -14.498 1.766 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -13.788 -15.579 1.052 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -13.093 -15.445 4.031 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.532 -14.764 3.299 1.00 0.00 H new ATOM 1617 N GLY A 103 -11.983 -17.076 -0.589 1.00 0.00 N ATOM 1618 CA GLY A 103 -11.421 -17.078 -1.936 1.00 0.00 C ATOM 1619 C GLY A 103 -10.148 -17.912 -1.988 1.00 0.00 C ATOM 1620 O GLY A 103 -10.193 -19.137 -1.882 1.00 0.00 O ATOM 0 H GLY A 103 -12.893 -17.529 -0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -12.152 -17.477 -2.639 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.205 -16.056 -2.246 1.00 0.00 H new ATOM 1624 N ILE A 104 -9.014 -17.239 -2.145 1.00 0.00 N ATOM 1625 CA ILE A 104 -7.733 -17.930 -2.204 1.00 0.00 C ATOM 1626 C ILE A 104 -7.082 -17.943 -0.825 1.00 0.00 C ATOM 1627 O ILE A 104 -6.865 -16.892 -0.222 1.00 0.00 O ATOM 1628 CB ILE A 104 -6.813 -17.226 -3.202 1.00 0.00 C ATOM 1629 CG1 ILE A 104 -7.546 -17.057 -4.538 1.00 0.00 C ATOM 1630 CG2 ILE A 104 -5.551 -18.064 -3.415 1.00 0.00 C ATOM 1631 CD1 ILE A 104 -7.569 -15.578 -4.928 1.00 0.00 C ATOM 0 H ILE A 104 -8.956 -16.224 -2.233 1.00 0.00 H new ATOM 0 HA ILE A 104 -7.898 -18.957 -2.528 1.00 0.00 H new ATOM 0 HB ILE A 104 -6.535 -16.247 -2.812 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -7.049 -17.640 -5.313 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -8.564 -17.438 -4.456 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -4.896 -17.561 -4.127 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.030 -18.185 -2.465 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -5.826 -19.044 -3.805 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -8.090 -15.460 -5.878 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -8.086 -15.006 -4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -6.547 -15.212 -5.027 1.00 0.00 H new ATOM 1643 N PHE A 105 -6.781 -19.138 -0.328 1.00 0.00 N ATOM 1644 CA PHE A 105 -6.165 -19.273 0.986 1.00 0.00 C ATOM 1645 C PHE A 105 -4.678 -19.586 0.856 1.00 0.00 C ATOM 1646 O PHE A 105 -4.360 -20.686 0.435 1.00 0.00 O ATOM 1647 CB PHE A 105 -6.858 -20.389 1.772 1.00 0.00 C ATOM 1648 CG PHE A 105 -8.209 -20.671 1.160 1.00 0.00 C ATOM 1649 CD1 PHE A 105 -9.257 -19.757 1.324 1.00 0.00 C ATOM 1650 CD2 PHE A 105 -8.414 -21.848 0.430 1.00 0.00 C ATOM 1651 CE1 PHE A 105 -10.509 -20.020 0.755 1.00 0.00 C ATOM 1652 CE2 PHE A 105 -9.666 -22.109 -0.138 1.00 0.00 C ATOM 1653 CZ PHE A 105 -10.715 -21.196 0.025 1.00 0.00 C ATOM 1654 OXT PHE A 105 -3.880 -18.723 1.181 1.00 0.00 O ATOM 0 H PHE A 105 -6.952 -20.020 -0.811 1.00 0.00 H new ATOM 0 HA PHE A 105 -6.277 -18.328 1.518 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -6.246 -21.291 1.760 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -6.974 -20.096 2.815 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -9.100 -18.850 1.889 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -7.606 -22.554 0.305 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -11.317 -19.314 0.880 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -9.823 -23.016 -0.703 1.00 0.00 H new ATOM 0 HZ PHE A 105 -11.682 -21.399 -0.412 1.00 0.00 H new TER 1664 PHE A 105