USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 954 hydrogens (31 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 78 HIS : no HE2:sc= 0.251 K(o=0.25,f=-3.6!) USER MOD Set 1.2: A1126 FAD O2' : rot 80:sc= 0 USER MOD Set 2.1: A 21 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 23 SER OG : rot 68:sc= -0.766 USER MOD Set 2.3: A 85 HIS :FLIP no HE2:sc= -2.9 F(o=-8.4!,f=-3.7) USER MOD Single : A 10 THR OG1 : rot 4:sc= 1.13 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0364 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -36:sc= -3.06! USER MOD Single : A 19 CYS SG : rot -111:sc= -2.02 USER MOD Single : A 20 CYS SG : rot -69:sc= 1.1 USER MOD Single : A 30 THR OG1 : rot 141:sc= 0.798 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 40:sc= 1.1 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.133 F(o=-2!,f=-0.13) USER MOD Single : A 44 HIS : +bothHN:sc= 1.53 K(o=1.5,f=-5.2!) USER MOD Single : A 45 ASN : amide:sc= 0.0321 K(o=0.032,f=-2.1) USER MOD Single : A 49 GLN : amide:sc= -0.417 X(o=-0.42,f=0) USER MOD Single : A 51 THR OG1 : rot 124:sc= -0.858! USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 63 GLN : amide:sc= -0.149 K(o=-0.15,f=-2.1!) USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.181 F(o=-1.7,f=-0.18) USER MOD Single : A 76 MET CE :methyl 149:sc= -2.46! (180deg=-4.96!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN :FLIP amide:sc= -2.53! C(o=-5.8!,f=-2.5!) USER MOD Single : A 86 SER OG : rot -42:sc= 0.00545 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 95 SER OG : rot 39:sc= 0.158 USER MOD Single : A 98 LYS NZ :NH3+ -126:sc= 0.987 (180deg=-0.0549) USER MOD Single : A 105 HIS : no HE2:sc= -0.99! C(o=-0.99!,f=-2!) USER MOD Single : A 106 MET CE :methyl -148:sc= 0 (180deg=-0.178) USER MOD Single : A 107 GLN : amide:sc= -0.122 K(o=-0.12,f=-4.3!) USER MOD Single : A 109 SER OG : rot 94:sc= -0.533 USER MOD Single : A 110 CYS SG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0.021 USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 51:sc= 0.106 USER MOD Single : A 125 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.14) USER MOD Single : A1126 FAD O2B : rot 180:sc= 0 USER MOD Single : A1126 FAD O3' : rot -135:sc= 0.349 USER MOD Single : A1126 FAD O3B : rot 147:sc= 0.199 USER MOD Single : A1126 FAD O4' : rot 117:sc= 0.28 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 5 -2.529 41.000 -18.234 0.20 90.00 N ATOM 2 CA LEU A 5 -2.415 39.553 -18.412 0.20 90.00 C ATOM 3 C LEU A 5 -2.551 38.898 -17.074 0.20 90.00 C ATOM 4 O LEU A 5 -2.007 39.388 -16.083 0.20 90.00 O ATOM 5 CB LEU A 5 -1.058 39.191 -19.021 0.20 90.00 C ATOM 6 CG LEU A 5 -0.779 37.699 -19.284 0.20 90.00 C ATOM 7 CD1 LEU A 5 -1.729 37.139 -20.324 0.20 90.00 C ATOM 8 CD2 LEU A 5 0.663 37.491 -19.711 0.20 90.00 C ATOM 0 HA LEU A 5 -3.199 39.209 -19.087 0.20 90.00 H new ATOM 0 HB2 LEU A 5 -0.959 39.725 -19.966 0.20 90.00 H new ATOM 0 HB3 LEU A 5 -0.279 39.569 -18.359 0.20 90.00 H new ATOM 0 HG LEU A 5 -0.945 37.158 -18.352 0.20 90.00 H new ATOM 0 HD11 LEU A 5 -1.508 36.084 -20.489 0.20 90.00 H new ATOM 0 HD12 LEU A 5 -2.756 37.244 -19.973 0.20 90.00 H new ATOM 0 HD13 LEU A 5 -1.608 37.685 -21.259 0.20 90.00 H new ATOM 0 HD21 LEU A 5 0.840 36.431 -19.892 0.20 90.00 H new ATOM 0 HD22 LEU A 5 0.856 38.052 -20.625 0.20 90.00 H new ATOM 0 HD23 LEU A 5 1.330 37.841 -18.923 0.20 90.00 H new ATOM 22 N GLU A 6 -3.262 37.815 -17.030 0.20 90.00 N ATOM 23 CA GLU A 6 -3.459 37.115 -15.810 0.20 90.00 C ATOM 24 C GLU A 6 -2.276 36.208 -15.544 0.20 90.00 C ATOM 25 O GLU A 6 -1.655 35.694 -16.485 0.20 90.00 O ATOM 26 CB GLU A 6 -4.757 36.346 -15.847 0.20 90.00 C ATOM 27 CG GLU A 6 -5.176 35.750 -14.532 0.20 90.00 C ATOM 28 CD GLU A 6 -5.177 36.769 -13.423 0.20 90.00 C ATOM 29 OE1 GLU A 6 -6.120 37.574 -13.326 0.20 90.00 O ATOM 30 OE2 GLU A 6 -4.215 36.802 -12.631 0.20 90.00 O ATOM 0 H GLU A 6 -3.719 37.396 -17.840 0.20 90.00 H new ATOM 0 HA GLU A 6 -3.528 37.829 -14.989 0.20 90.00 H new ATOM 0 HB2 GLU A 6 -5.547 37.011 -16.196 0.20 90.00 H new ATOM 0 HB3 GLU A 6 -4.667 35.545 -16.581 0.20 90.00 H new ATOM 0 HG2 GLU A 6 -6.173 35.321 -14.630 0.20 90.00 H new ATOM 0 HG3 GLU A 6 -4.502 34.934 -14.273 0.20 90.00 H new ATOM 37 N ALA A 7 -1.969 36.027 -14.292 0.20 90.00 N ATOM 38 CA ALA A 7 -0.826 35.244 -13.894 0.20 90.00 C ATOM 39 C ALA A 7 -1.099 33.771 -14.072 0.20 90.00 C ATOM 40 O ALA A 7 -2.165 33.272 -13.683 0.20 90.00 O ATOM 41 CB ALA A 7 -0.440 35.543 -12.459 0.20 90.00 C ATOM 0 H ALA A 7 -2.502 36.417 -13.515 0.20 90.00 H new ATOM 0 HA ALA A 7 0.010 35.518 -14.537 0.20 90.00 H new ATOM 0 HB1 ALA A 7 0.425 34.940 -12.182 0.20 90.00 H new ATOM 0 HB2 ALA A 7 -0.192 36.600 -12.362 0.20 90.00 H new ATOM 0 HB3 ALA A 7 -1.275 35.304 -11.800 0.20 90.00 H new ATOM 47 N ASP A 8 -0.148 33.091 -14.670 0.20 90.00 N ATOM 48 CA ASP A 8 -0.236 31.653 -14.916 0.20 90.00 C ATOM 49 C ASP A 8 -0.257 30.902 -13.587 0.20 90.00 C ATOM 50 O ASP A 8 0.501 31.232 -12.676 0.20 90.00 O ATOM 51 CB ASP A 8 0.953 31.196 -15.772 0.20 90.00 C ATOM 52 CG ASP A 8 0.943 29.711 -16.072 0.20 90.00 C ATOM 53 OD1 ASP A 8 0.319 29.294 -17.057 0.20 90.00 O ATOM 54 OD2 ASP A 8 1.567 28.940 -15.333 0.20 90.00 O ATOM 0 H ASP A 8 0.718 33.514 -15.005 0.20 90.00 H new ATOM 0 HA ASP A 8 -1.158 31.435 -15.456 0.20 90.00 H new ATOM 0 HB2 ASP A 8 0.949 31.749 -16.711 0.20 90.00 H new ATOM 0 HB3 ASP A 8 1.880 31.449 -15.258 0.20 90.00 H new ATOM 59 N VAL A 9 -1.143 29.929 -13.462 0.20 90.00 N ATOM 60 CA VAL A 9 -1.303 29.159 -12.247 0.20 90.00 C ATOM 61 C VAL A 9 -0.100 28.273 -11.892 0.20 90.00 C ATOM 62 O VAL A 9 -0.010 27.773 -10.760 0.20 90.00 O ATOM 63 CB VAL A 9 -2.591 28.311 -12.240 0.20 90.00 C ATOM 64 CG1 VAL A 9 -3.824 29.196 -12.323 0.20 90.00 C ATOM 65 CG2 VAL A 9 -2.568 27.314 -13.367 0.20 90.00 C ATOM 0 H VAL A 9 -1.777 29.651 -14.211 0.20 90.00 H new ATOM 0 HA VAL A 9 -1.378 29.922 -11.472 0.20 90.00 H new ATOM 0 HB VAL A 9 -2.637 27.764 -11.298 0.20 90.00 H new ATOM 0 HG11 VAL A 9 -4.719 28.574 -12.316 0.20 90.00 H new ATOM 0 HG12 VAL A 9 -3.845 29.872 -11.468 0.20 90.00 H new ATOM 0 HG13 VAL A 9 -3.793 29.778 -13.244 0.20 90.00 H new ATOM 0 HG21 VAL A 9 -3.484 26.723 -13.349 0.20 90.00 H new ATOM 0 HG22 VAL A 9 -2.496 27.842 -14.318 0.20 90.00 H new ATOM 0 HG23 VAL A 9 -1.708 26.654 -13.252 0.20 90.00 H new ATOM 75 N THR A 10 0.814 28.099 -12.846 0.20 90.00 N ATOM 76 CA THR A 10 1.997 27.256 -12.740 0.20 90.00 C ATOM 77 C THR A 10 1.668 25.773 -12.500 0.20 90.00 C ATOM 78 O THR A 10 0.485 25.376 -12.471 0.20 90.00 O ATOM 79 CB THR A 10 3.063 27.802 -11.759 0.20 90.00 C ATOM 80 OG1 THR A 10 2.577 27.907 -10.406 0.20 90.00 O ATOM 81 CG2 THR A 10 3.572 29.156 -12.225 0.20 90.00 C ATOM 0 H THR A 10 0.744 28.563 -13.752 0.20 90.00 H new ATOM 0 HA THR A 10 2.461 27.301 -13.725 0.20 90.00 H new ATOM 0 HB THR A 10 3.879 27.080 -11.757 0.20 90.00 H new ATOM 0 HG1 THR A 10 1.668 27.544 -10.356 0.20 90.00 H new ATOM 0 HG21 THR A 10 4.320 29.524 -11.523 0.20 90.00 H new ATOM 0 HG22 THR A 10 4.020 29.056 -13.214 0.20 90.00 H new ATOM 0 HG23 THR A 10 2.741 29.860 -12.272 0.20 90.00 H new ATOM 89 N MET A 11 2.684 24.943 -12.394 0.20 90.00 N ATOM 90 CA MET A 11 2.473 23.551 -12.183 0.20 90.00 C ATOM 91 C MET A 11 2.054 23.325 -10.754 0.20 90.00 C ATOM 92 O MET A 11 2.756 23.703 -9.818 0.20 90.00 O ATOM 93 CB MET A 11 3.722 22.729 -12.536 0.20 90.00 C ATOM 94 CG MET A 11 4.110 22.736 -14.007 0.20 90.00 C ATOM 95 SD MET A 11 4.703 24.338 -14.610 0.20 90.00 S ATOM 96 CE MET A 11 4.885 23.977 -16.358 0.20 90.00 C ATOM 0 H MET A 11 3.663 25.222 -12.453 0.20 90.00 H new ATOM 0 HA MET A 11 1.678 23.211 -12.847 0.20 90.00 H new ATOM 0 HB2 MET A 11 4.562 23.107 -11.954 0.20 90.00 H new ATOM 0 HB3 MET A 11 3.558 21.697 -12.225 0.20 90.00 H new ATOM 0 HG2 MET A 11 4.887 21.989 -14.170 0.20 90.00 H new ATOM 0 HG3 MET A 11 3.247 22.434 -14.600 0.20 90.00 H new ATOM 0 HE1 MET A 11 5.245 24.865 -16.877 0.20 90.00 H new ATOM 0 HE2 MET A 11 5.600 23.165 -16.489 0.20 90.00 H new ATOM 0 HE3 MET A 11 3.921 23.681 -16.771 0.20 90.00 H new ATOM 106 N THR A 12 0.904 22.749 -10.585 0.20 90.00 N ATOM 107 CA THR A 12 0.342 22.518 -9.287 0.20 90.00 C ATOM 108 C THR A 12 0.826 21.217 -8.659 0.20 90.00 C ATOM 109 O THR A 12 0.477 20.889 -7.521 0.20 90.00 O ATOM 110 CB THR A 12 -1.154 22.534 -9.393 0.20 90.00 C ATOM 111 OG1 THR A 12 -1.559 21.648 -10.454 0.20 90.00 O ATOM 112 CG2 THR A 12 -1.654 23.942 -9.686 0.20 90.00 C ATOM 0 H THR A 12 0.320 22.421 -11.354 0.20 90.00 H new ATOM 0 HA THR A 12 0.679 23.317 -8.626 0.20 90.00 H new ATOM 0 HB THR A 12 -1.582 22.204 -8.446 0.20 90.00 H new ATOM 0 HG1 THR A 12 -2.536 21.652 -10.528 0.20 90.00 H new ATOM 0 HG21 THR A 12 -2.741 23.934 -9.759 0.20 90.00 H new ATOM 0 HG22 THR A 12 -1.350 24.611 -8.881 0.20 90.00 H new ATOM 0 HG23 THR A 12 -1.229 24.290 -10.627 0.20 90.00 H new ATOM 120 N GLY A 13 1.624 20.489 -9.401 0.20 90.00 N ATOM 121 CA GLY A 13 2.166 19.268 -8.916 0.20 90.00 C ATOM 122 C GLY A 13 3.496 18.969 -9.550 0.20 90.00 C ATOM 123 O GLY A 13 3.555 18.527 -10.685 0.20 90.00 O ATOM 0 H GLY A 13 1.908 20.734 -10.350 0.20 90.00 H new ATOM 0 HA2 GLY A 13 2.281 19.324 -7.834 0.20 90.00 H new ATOM 0 HA3 GLY A 13 1.472 18.453 -9.121 0.20 90.00 H new ATOM 127 N SER A 14 4.564 19.269 -8.848 0.20 90.00 N ATOM 128 CA SER A 14 5.915 18.999 -9.345 0.20 90.00 C ATOM 129 C SER A 14 6.779 18.341 -8.263 0.20 90.00 C ATOM 130 O SER A 14 7.787 17.697 -8.541 0.20 90.00 O ATOM 131 CB SER A 14 6.566 20.316 -9.734 0.20 90.00 C ATOM 132 OG SER A 14 5.762 21.057 -10.649 0.20 90.00 O ATOM 0 H SER A 14 4.534 19.703 -7.925 0.20 90.00 H new ATOM 0 HA SER A 14 5.840 18.326 -10.199 0.20 90.00 H new ATOM 0 HB2 SER A 14 6.741 20.913 -8.839 0.20 90.00 H new ATOM 0 HB3 SER A 14 7.540 20.121 -10.182 0.20 90.00 H new ATOM 0 HG SER A 14 6.213 21.898 -10.874 0.20 90.00 H new ATOM 138 N ASP A 15 6.359 18.510 -7.050 1.00 10.00 N ATOM 139 CA ASP A 15 7.060 18.118 -5.863 1.00 10.00 C ATOM 140 C ASP A 15 6.473 16.888 -5.289 1.00 10.00 C ATOM 141 O ASP A 15 6.323 16.747 -4.085 1.00 10.00 O ATOM 142 CB ASP A 15 6.978 19.244 -4.851 1.00 10.00 C ATOM 143 CG ASP A 15 5.527 19.642 -4.545 1.00 10.00 C ATOM 144 OD1 ASP A 15 4.766 19.944 -5.498 1.00 10.00 O ATOM 145 OD2 ASP A 15 5.119 19.640 -3.368 1.00 10.00 O ATOM 0 H ASP A 15 5.463 18.952 -6.846 1.00 10.00 H new ATOM 0 HA ASP A 15 8.101 17.914 -6.115 1.00 10.00 H new ATOM 0 HB2 ASP A 15 7.472 18.938 -3.929 1.00 10.00 H new ATOM 0 HB3 ASP A 15 7.519 20.111 -5.230 1.00 10.00 H new ATOM 150 N LEU A 16 6.204 16.013 -6.120 1.00 10.00 N ATOM 151 CA LEU A 16 5.661 14.794 -5.767 1.00 10.00 C ATOM 152 C LEU A 16 6.608 13.711 -6.089 1.00 10.00 C ATOM 153 O LEU A 16 7.547 13.885 -6.850 1.00 10.00 O ATOM 154 CB LEU A 16 4.289 14.568 -6.381 1.00 10.00 C ATOM 155 CG LEU A 16 3.183 15.579 -6.067 1.00 10.00 C ATOM 156 CD1 LEU A 16 3.037 15.883 -4.601 1.00 10.00 C ATOM 157 CD2 LEU A 16 3.296 16.820 -6.889 1.00 10.00 C ATOM 0 H LEU A 16 6.361 16.122 -7.122 1.00 10.00 H new ATOM 0 HA LEU A 16 5.498 14.794 -4.689 1.00 10.00 H new ATOM 0 HB2 LEU A 16 4.410 14.532 -7.464 1.00 10.00 H new ATOM 0 HB3 LEU A 16 3.941 13.584 -6.066 1.00 10.00 H new ATOM 0 HG LEU A 16 2.255 15.085 -6.357 1.00 10.00 H new ATOM 0 HD11 LEU A 16 2.234 16.607 -4.458 1.00 10.00 H new ATOM 0 HD12 LEU A 16 2.800 14.966 -4.061 1.00 10.00 H new ATOM 0 HD13 LEU A 16 3.971 16.297 -4.220 1.00 10.00 H new ATOM 0 HD21 LEU A 16 2.489 17.504 -6.628 1.00 10.00 H new ATOM 0 HD22 LEU A 16 4.255 17.300 -6.694 1.00 10.00 H new ATOM 0 HD23 LEU A 16 3.227 16.564 -7.946 1.00 10.00 H new ATOM 169 N VAL A 17 6.362 12.617 -5.501 1.00 10.00 N ATOM 170 CA VAL A 17 7.137 11.474 -5.583 1.00 10.00 C ATOM 171 C VAL A 17 6.211 10.252 -5.402 1.00 10.00 C ATOM 172 O VAL A 17 5.194 10.340 -4.709 1.00 10.00 O ATOM 173 CB VAL A 17 8.253 11.488 -4.492 1.00 10.00 C ATOM 174 CG1 VAL A 17 8.747 10.131 -4.234 1.00 10.00 C ATOM 175 CG2 VAL A 17 9.425 12.377 -4.863 1.00 10.00 C ATOM 0 H VAL A 17 5.545 12.496 -4.903 1.00 10.00 H new ATOM 0 HA VAL A 17 7.630 11.426 -6.554 1.00 10.00 H new ATOM 0 HB VAL A 17 7.791 11.896 -3.593 1.00 10.00 H new ATOM 0 HG11 VAL A 17 9.524 10.166 -3.470 1.00 10.00 H new ATOM 0 HG12 VAL A 17 7.925 9.504 -3.887 1.00 10.00 H new ATOM 0 HG13 VAL A 17 9.159 9.713 -5.152 1.00 10.00 H new ATOM 0 HG21 VAL A 17 10.170 12.348 -4.068 1.00 10.00 H new ATOM 0 HG22 VAL A 17 9.872 12.022 -5.792 1.00 10.00 H new ATOM 0 HG23 VAL A 17 9.077 13.401 -4.996 1.00 10.00 H new ATOM 185 N SER A 18 6.540 9.185 -6.057 1.00 10.00 N ATOM 186 CA SER A 18 5.831 7.926 -5.949 1.00 10.00 C ATOM 187 C SER A 18 6.753 6.850 -5.451 1.00 10.00 C ATOM 188 O SER A 18 7.696 6.449 -6.150 1.00 10.00 O ATOM 189 CB SER A 18 5.228 7.460 -7.287 1.00 10.00 C ATOM 190 OG SER A 18 4.168 8.279 -7.699 1.00 10.00 O ATOM 0 H SER A 18 7.329 9.152 -6.702 1.00 10.00 H new ATOM 0 HA SER A 18 5.015 8.098 -5.247 1.00 10.00 H new ATOM 0 HB2 SER A 18 6.003 7.458 -8.053 1.00 10.00 H new ATOM 0 HB3 SER A 18 4.875 6.433 -7.188 1.00 10.00 H new ATOM 0 HG SER A 18 3.657 8.572 -6.916 1.00 10.00 H new ATOM 196 N CYS A 19 6.510 6.405 -4.267 1.00 10.00 N ATOM 197 CA CYS A 19 7.205 5.285 -3.739 1.00 10.00 C ATOM 198 C CYS A 19 6.340 4.084 -4.016 1.00 10.00 C ATOM 199 O CYS A 19 5.228 3.979 -3.493 1.00 10.00 O ATOM 200 CB CYS A 19 7.465 5.471 -2.251 1.00 10.00 C ATOM 201 SG CYS A 19 8.481 6.921 -1.875 1.00 10.00 S ATOM 0 H CYS A 19 5.820 6.811 -3.635 1.00 10.00 H new ATOM 0 HA CYS A 19 8.184 5.161 -4.202 1.00 10.00 H new ATOM 0 HB2 CYS A 19 6.511 5.560 -1.731 1.00 10.00 H new ATOM 0 HB3 CYS A 19 7.958 4.580 -1.862 1.00 10.00 H new ATOM 0 HG CYS A 19 9.647 6.535 -1.448 1.00 10.00 H new ATOM 207 N CYS A 20 6.811 3.227 -4.875 1.00 10.00 N ATOM 208 CA CYS A 20 6.030 2.111 -5.331 1.00 10.00 C ATOM 209 C CYS A 20 6.626 0.891 -4.759 1.00 10.00 C ATOM 210 O CYS A 20 7.649 0.454 -5.234 1.00 10.00 O ATOM 211 CB CYS A 20 6.078 2.058 -6.859 1.00 10.00 C ATOM 212 SG CYS A 20 5.690 3.635 -7.666 1.00 10.00 S ATOM 0 H CYS A 20 7.746 3.281 -5.279 1.00 10.00 H new ATOM 0 HA CYS A 20 4.989 2.202 -5.020 1.00 10.00 H new ATOM 0 HB2 CYS A 20 7.072 1.738 -7.170 1.00 10.00 H new ATOM 0 HB3 CYS A 20 5.376 1.301 -7.208 1.00 10.00 H new ATOM 0 HG CYS A 20 4.432 3.914 -7.492 1.00 10.00 H new ATOM 218 N TYR A 21 5.991 0.306 -3.778 1.00 10.00 N ATOM 219 CA TYR A 21 6.631 -0.741 -3.071 1.00 10.00 C ATOM 220 C TYR A 21 5.938 -2.051 -3.240 1.00 10.00 C ATOM 221 O TYR A 21 4.772 -2.118 -3.651 1.00 10.00 O ATOM 222 CB TYR A 21 6.751 -0.402 -1.573 1.00 10.00 C ATOM 223 CG TYR A 21 5.578 -0.635 -0.635 1.00 10.00 C ATOM 224 CD1 TYR A 21 5.231 -1.917 -0.212 1.00 10.00 C ATOM 225 CD2 TYR A 21 4.891 0.430 -0.099 1.00 10.00 C ATOM 226 CE1 TYR A 21 4.237 -2.117 0.706 1.00 10.00 C ATOM 227 CE2 TYR A 21 3.888 0.237 0.810 1.00 10.00 C ATOM 228 CZ TYR A 21 3.566 -1.050 1.217 1.00 10.00 C ATOM 229 OH TYR A 21 2.585 -1.272 2.157 1.00 10.00 O ATOM 0 H TYR A 21 5.049 0.539 -3.464 1.00 10.00 H new ATOM 0 HA TYR A 21 7.629 -0.837 -3.499 1.00 10.00 H new ATOM 0 HB2 TYR A 21 7.595 -0.970 -1.181 1.00 10.00 H new ATOM 0 HB3 TYR A 21 7.016 0.653 -1.502 1.00 10.00 H new ATOM 0 HD1 TYR A 21 5.757 -2.769 -0.617 1.00 10.00 H new ATOM 0 HD2 TYR A 21 5.148 1.434 -0.401 1.00 10.00 H new ATOM 0 HE1 TYR A 21 3.986 -3.118 1.024 1.00 10.00 H new ATOM 0 HE2 TYR A 21 3.348 1.083 1.210 1.00 10.00 H new ATOM 0 HH TYR A 21 2.194 -0.416 2.431 1.00 10.00 H new ATOM 239 N ARG A 22 6.638 -3.080 -2.882 1.00 10.00 N ATOM 240 CA ARG A 22 6.100 -4.387 -2.868 1.00 10.00 C ATOM 241 C ARG A 22 6.270 -4.958 -1.480 1.00 10.00 C ATOM 242 O ARG A 22 7.048 -4.449 -0.664 1.00 10.00 O ATOM 243 CB ARG A 22 6.835 -5.303 -3.825 1.00 10.00 C ATOM 244 CG ARG A 22 8.209 -5.708 -3.327 1.00 10.00 C ATOM 245 CD ARG A 22 8.801 -6.752 -4.193 1.00 10.00 C ATOM 246 NE ARG A 22 9.980 -7.364 -3.579 1.00 10.00 N ATOM 247 CZ ARG A 22 10.847 -8.165 -4.205 1.00 10.00 C ATOM 248 NH1 ARG A 22 10.663 -8.482 -5.480 1.00 10.00 N ATOM 249 NH2 ARG A 22 11.897 -8.628 -3.551 1.00 10.00 N ATOM 0 H ARG A 22 7.613 -3.027 -2.588 1.00 10.00 H new ATOM 0 HA ARG A 22 5.053 -4.325 -3.165 1.00 10.00 H new ATOM 0 HB2 ARG A 22 6.237 -6.199 -3.992 1.00 10.00 H new ATOM 0 HB3 ARG A 22 6.937 -4.804 -4.789 1.00 10.00 H new ATOM 0 HG2 ARG A 22 8.863 -4.836 -3.304 1.00 10.00 H new ATOM 0 HG3 ARG A 22 8.135 -6.078 -2.304 1.00 10.00 H new ATOM 0 HD2 ARG A 22 8.056 -7.521 -4.396 1.00 10.00 H new ATOM 0 HD3 ARG A 22 9.077 -6.315 -5.153 1.00 10.00 H new ATOM 0 HE ARG A 22 10.154 -7.163 -2.594 1.00 10.00 H new ATOM 0 HH11 ARG A 22 9.857 -8.114 -5.986 1.00 10.00 H new ATOM 0 HH12 ARG A 22 11.327 -9.094 -5.954 1.00 10.00 H new ATOM 0 HH21 ARG A 22 12.042 -8.374 -2.574 1.00 10.00 H new ATOM 0 HH22 ARG A 22 12.563 -9.240 -4.023 1.00 10.00 H new ATOM 263 N SER A 23 5.542 -5.952 -1.188 1.00 10.00 N ATOM 264 CA SER A 23 5.748 -6.716 -0.010 1.00 10.00 C ATOM 265 C SER A 23 5.300 -8.105 -0.277 1.00 10.00 C ATOM 266 O SER A 23 4.396 -8.311 -1.038 1.00 10.00 O ATOM 267 CB SER A 23 4.997 -6.162 1.191 1.00 10.00 C ATOM 268 OG SER A 23 5.414 -4.872 1.517 1.00 10.00 O ATOM 0 H SER A 23 4.766 -6.275 -1.766 1.00 10.00 H new ATOM 0 HA SER A 23 6.809 -6.678 0.238 1.00 10.00 H new ATOM 0 HB2 SER A 23 3.928 -6.155 0.979 1.00 10.00 H new ATOM 0 HB3 SER A 23 5.147 -6.819 2.048 1.00 10.00 H new ATOM 0 HG SER A 23 5.146 -4.252 0.807 1.00 10.00 H new ATOM 274 N LEU A 24 5.902 -9.043 0.332 1.00 10.00 N ATOM 275 CA LEU A 24 5.466 -10.429 0.147 1.00 10.00 C ATOM 276 C LEU A 24 4.412 -10.816 1.192 1.00 10.00 C ATOM 277 O LEU A 24 4.407 -11.933 1.657 1.00 10.00 O ATOM 278 CB LEU A 24 6.665 -11.403 0.157 1.00 10.00 C ATOM 279 CG LEU A 24 7.565 -11.469 -1.109 1.00 10.00 C ATOM 280 CD1 LEU A 24 6.766 -11.916 -2.321 1.00 10.00 C ATOM 281 CD2 LEU A 24 8.268 -10.147 -1.394 1.00 10.00 C ATOM 0 H LEU A 24 6.693 -8.916 0.963 1.00 10.00 H new ATOM 0 HA LEU A 24 4.999 -10.506 -0.835 1.00 10.00 H new ATOM 0 HB2 LEU A 24 7.300 -11.142 1.004 1.00 10.00 H new ATOM 0 HB3 LEU A 24 6.279 -12.405 0.344 1.00 10.00 H new ATOM 0 HG LEU A 24 8.339 -12.209 -0.904 1.00 10.00 H new ATOM 0 HD11 LEU A 24 7.419 -11.954 -3.193 1.00 10.00 H new ATOM 0 HD12 LEU A 24 6.349 -12.906 -2.137 1.00 10.00 H new ATOM 0 HD13 LEU A 24 5.957 -11.209 -2.504 1.00 10.00 H new ATOM 0 HD21 LEU A 24 8.883 -10.248 -2.288 1.00 10.00 H new ATOM 0 HD22 LEU A 24 7.524 -9.366 -1.551 1.00 10.00 H new ATOM 0 HD23 LEU A 24 8.900 -9.881 -0.547 1.00 10.00 H new ATOM 293 N ALA A 25 3.512 -9.829 1.500 1.00 10.00 N ATOM 294 CA ALA A 25 2.402 -9.870 2.524 1.00 10.00 C ATOM 295 C ALA A 25 2.404 -11.083 3.438 1.00 10.00 C ATOM 296 O ALA A 25 2.090 -12.182 2.995 1.00 10.00 O ATOM 297 CB ALA A 25 1.055 -9.716 1.860 1.00 10.00 C ATOM 0 H ALA A 25 3.539 -8.931 1.016 1.00 10.00 H new ATOM 0 HA ALA A 25 2.600 -9.021 3.178 1.00 10.00 H new ATOM 0 HB1 ALA A 25 0.271 -9.748 2.616 1.00 10.00 H new ATOM 0 HB2 ALA A 25 1.015 -8.761 1.336 1.00 10.00 H new ATOM 0 HB3 ALA A 25 0.906 -10.527 1.147 1.00 10.00 H new ATOM 303 N ALA A 26 2.694 -10.862 4.739 1.00 10.00 N ATOM 304 CA ALA A 26 2.851 -11.910 5.666 1.00 10.00 C ATOM 305 C ALA A 26 1.582 -12.701 5.766 1.00 10.00 C ATOM 306 O ALA A 26 0.520 -12.160 6.081 1.00 10.00 O ATOM 307 CB ALA A 26 3.271 -11.364 7.014 1.00 10.00 C ATOM 0 H ALA A 26 2.819 -9.932 5.139 1.00 10.00 H new ATOM 0 HA ALA A 26 3.639 -12.578 5.320 1.00 10.00 H new ATOM 0 HB1 ALA A 26 3.388 -12.187 7.719 1.00 10.00 H new ATOM 0 HB2 ALA A 26 4.219 -10.835 6.913 1.00 10.00 H new ATOM 0 HB3 ALA A 26 2.509 -10.677 7.382 1.00 10.00 H new ATOM 313 N PRO A 27 1.664 -13.977 5.467 1.00 10.00 N ATOM 314 CA PRO A 27 0.514 -14.905 5.488 1.00 10.00 C ATOM 315 C PRO A 27 -0.080 -15.085 6.877 1.00 10.00 C ATOM 316 O PRO A 27 -1.114 -15.707 7.048 1.00 10.00 O ATOM 317 CB PRO A 27 1.144 -16.209 5.019 1.00 10.00 C ATOM 318 CG PRO A 27 2.575 -16.040 5.395 1.00 10.00 C ATOM 319 CD PRO A 27 2.894 -14.673 5.026 1.00 10.00 C ATOM 0 HA PRO A 27 -0.315 -14.546 4.877 1.00 10.00 H new ATOM 0 HB2 PRO A 27 0.697 -17.073 5.510 1.00 10.00 H new ATOM 0 HB3 PRO A 27 1.022 -16.353 3.945 1.00 10.00 H new ATOM 0 HG2 PRO A 27 2.727 -16.208 6.461 1.00 10.00 H new ATOM 0 HG3 PRO A 27 3.210 -16.751 4.867 1.00 10.00 H new ATOM 0 HD2 PRO A 27 3.784 -14.304 5.535 1.00 10.00 H new ATOM 0 HD3 PRO A 27 3.071 -14.563 3.956 1.00 10.00 H new ATOM 327 N ASP A 28 0.558 -14.510 7.830 1.00 10.00 N ATOM 328 CA ASP A 28 0.165 -14.636 9.219 1.00 10.00 C ATOM 329 C ASP A 28 -0.572 -13.412 9.698 1.00 10.00 C ATOM 330 O ASP A 28 -0.876 -13.280 10.887 1.00 10.00 O ATOM 331 CB ASP A 28 1.362 -14.946 10.128 1.00 10.00 C ATOM 332 CG ASP A 28 2.470 -13.924 10.051 1.00 10.00 C ATOM 333 OD1 ASP A 28 3.255 -13.972 9.080 1.00 10.00 O ATOM 334 OD2 ASP A 28 2.592 -13.076 10.963 1.00 10.00 O ATOM 0 H ASP A 28 1.382 -13.927 7.684 1.00 10.00 H new ATOM 0 HA ASP A 28 -0.518 -15.483 9.278 1.00 10.00 H new ATOM 0 HB2 ASP A 28 1.015 -15.014 11.159 1.00 10.00 H new ATOM 0 HB3 ASP A 28 1.764 -15.924 9.862 1.00 10.00 H new ATOM 339 N LEU A 29 -0.899 -12.526 8.787 1.00 10.00 N ATOM 340 CA LEU A 29 -1.639 -11.340 9.144 1.00 10.00 C ATOM 341 C LEU A 29 -3.112 -11.661 9.345 1.00 10.00 C ATOM 342 O LEU A 29 -3.579 -12.783 9.060 1.00 10.00 O ATOM 343 CB LEU A 29 -1.500 -10.243 8.092 1.00 10.00 C ATOM 344 CG LEU A 29 -0.105 -9.699 7.834 1.00 10.00 C ATOM 345 CD1 LEU A 29 -0.177 -8.579 6.830 1.00 10.00 C ATOM 346 CD2 LEU A 29 0.548 -9.219 9.116 1.00 10.00 C ATOM 0 H LEU A 29 -0.665 -12.604 7.797 1.00 10.00 H new ATOM 0 HA LEU A 29 -1.215 -10.975 10.079 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -1.892 -10.627 7.150 1.00 10.00 H new ATOM 0 HB3 LEU A 29 -2.138 -9.410 8.387 1.00 10.00 H new ATOM 0 HG LEU A 29 0.510 -10.505 7.434 1.00 10.00 H new ATOM 0 HD11 LEU A 29 0.825 -8.190 6.646 1.00 10.00 H new ATOM 0 HD12 LEU A 29 -0.598 -8.953 5.897 1.00 10.00 H new ATOM 0 HD13 LEU A 29 -0.810 -7.782 7.219 1.00 10.00 H new ATOM 0 HD21 LEU A 29 1.544 -8.836 8.896 1.00 10.00 H new ATOM 0 HD22 LEU A 29 -0.056 -8.426 9.557 1.00 10.00 H new ATOM 0 HD23 LEU A 29 0.625 -10.049 9.818 1.00 10.00 H new ATOM 358 N THR A 30 -3.821 -10.697 9.836 1.00 10.00 N ATOM 359 CA THR A 30 -5.210 -10.797 10.068 1.00 10.00 C ATOM 360 C THR A 30 -5.974 -9.808 9.261 1.00 10.00 C ATOM 361 O THR A 30 -5.540 -8.679 9.105 1.00 10.00 O ATOM 362 CB THR A 30 -5.511 -10.585 11.505 1.00 10.00 C ATOM 363 OG1 THR A 30 -4.403 -9.973 12.184 1.00 10.00 O ATOM 364 CG2 THR A 30 -5.895 -11.852 12.146 1.00 10.00 C ATOM 0 H THR A 30 -3.428 -9.791 10.092 1.00 10.00 H new ATOM 0 HA THR A 30 -5.515 -11.800 9.769 1.00 10.00 H new ATOM 0 HB THR A 30 -6.356 -9.900 11.576 1.00 10.00 H new ATOM 0 HG1 THR A 30 -4.737 -9.310 12.823 1.00 10.00 H new ATOM 0 HG21 THR A 30 -6.112 -11.676 13.200 1.00 10.00 H new ATOM 0 HG22 THR A 30 -6.781 -12.254 11.655 1.00 10.00 H new ATOM 0 HG23 THR A 30 -5.077 -12.567 12.059 1.00 10.00 H new ATOM 372 N LEU A 31 -7.125 -10.230 8.770 1.00 10.00 N ATOM 373 CA LEU A 31 -8.003 -9.408 7.950 1.00 10.00 C ATOM 374 C LEU A 31 -8.353 -8.136 8.647 1.00 10.00 C ATOM 375 O LEU A 31 -8.276 -7.087 8.042 1.00 10.00 O ATOM 376 CB LEU A 31 -9.264 -10.156 7.664 1.00 10.00 C ATOM 377 CG LEU A 31 -10.307 -9.466 6.778 1.00 10.00 C ATOM 378 CD1 LEU A 31 -9.771 -9.194 5.386 1.00 10.00 C ATOM 379 CD2 LEU A 31 -11.566 -10.295 6.711 1.00 10.00 C ATOM 0 H LEU A 31 -7.484 -11.171 8.932 1.00 10.00 H new ATOM 0 HA LEU A 31 -7.478 -9.173 7.024 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -8.995 -11.102 7.194 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -9.737 -10.396 8.616 1.00 10.00 H new ATOM 0 HG LEU A 31 -10.542 -8.502 7.230 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -10.540 -8.704 4.789 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -8.897 -8.547 5.453 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -9.490 -10.135 4.914 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -12.299 -9.794 6.079 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -11.335 -11.274 6.292 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -11.975 -10.417 7.714 1.00 10.00 H new ATOM 391 N ARG A 32 -8.693 -8.205 9.933 1.00 10.00 N ATOM 392 CA ARG A 32 -9.068 -6.974 10.630 1.00 10.00 C ATOM 393 C ARG A 32 -7.912 -5.978 10.618 1.00 10.00 C ATOM 394 O ARG A 32 -8.113 -4.779 10.528 1.00 10.00 O ATOM 395 CB ARG A 32 -9.563 -7.219 12.058 1.00 10.00 C ATOM 396 CG ARG A 32 -9.830 -5.922 12.822 1.00 10.00 C ATOM 397 CD ARG A 32 -10.949 -5.115 12.182 1.00 10.00 C ATOM 398 NE ARG A 32 -11.026 -3.766 12.739 1.00 10.00 N ATOM 399 CZ ARG A 32 -11.067 -2.645 12.003 1.00 10.00 C ATOM 400 NH1 ARG A 32 -11.219 -2.706 10.685 1.00 10.00 N ATOM 401 NH2 ARG A 32 -11.007 -1.469 12.581 1.00 10.00 N ATOM 0 H ARG A 32 -8.718 -9.057 10.493 1.00 10.00 H new ATOM 0 HA ARG A 32 -9.910 -6.549 10.083 1.00 10.00 H new ATOM 0 HB2 ARG A 32 -10.478 -7.811 12.024 1.00 10.00 H new ATOM 0 HB3 ARG A 32 -8.822 -7.808 12.599 1.00 10.00 H new ATOM 0 HG2 ARG A 32 -10.093 -6.155 13.854 1.00 10.00 H new ATOM 0 HG3 ARG A 32 -8.920 -5.323 12.852 1.00 10.00 H new ATOM 0 HD2 ARG A 32 -10.786 -5.056 11.106 1.00 10.00 H new ATOM 0 HD3 ARG A 32 -11.900 -5.626 12.333 1.00 10.00 H new ATOM 0 HE ARG A 32 -11.050 -3.670 13.754 1.00 10.00 H new ATOM 0 HH11 ARG A 32 -11.306 -3.611 10.223 1.00 10.00 H new ATOM 0 HH12 ARG A 32 -11.249 -1.848 10.135 1.00 10.00 H new ATOM 0 HH21 ARG A 32 -10.929 -1.403 13.596 1.00 10.00 H new ATOM 0 HH22 ARG A 32 -11.039 -0.621 12.016 1.00 10.00 H new ATOM 415 N ASP A 33 -6.724 -6.496 10.628 1.00 10.00 N ATOM 416 CA ASP A 33 -5.537 -5.692 10.611 1.00 10.00 C ATOM 417 C ASP A 33 -5.321 -5.077 9.228 1.00 10.00 C ATOM 418 O ASP A 33 -4.809 -3.979 9.137 1.00 10.00 O ATOM 419 CB ASP A 33 -4.324 -6.499 11.106 1.00 10.00 C ATOM 420 CG ASP A 33 -4.464 -6.961 12.565 1.00 10.00 C ATOM 421 OD1 ASP A 33 -5.411 -7.702 12.879 1.00 10.00 O ATOM 422 OD2 ASP A 33 -3.601 -6.631 13.420 1.00 10.00 O ATOM 0 H ASP A 33 -6.546 -7.500 10.648 1.00 10.00 H new ATOM 0 HA ASP A 33 -5.661 -4.861 11.306 1.00 10.00 H new ATOM 0 HB2 ASP A 33 -4.189 -7.371 10.466 1.00 10.00 H new ATOM 0 HB3 ASP A 33 -3.425 -5.890 11.008 1.00 10.00 H new ATOM 427 N LEU A 34 -5.784 -5.754 8.129 1.00 10.00 N ATOM 428 CA LEU A 34 -5.703 -5.106 6.769 1.00 10.00 C ATOM 429 C LEU A 34 -6.705 -4.010 6.724 1.00 10.00 C ATOM 430 O LEU A 34 -6.487 -2.935 6.165 1.00 10.00 O ATOM 431 CB LEU A 34 -6.006 -6.053 5.570 1.00 10.00 C ATOM 432 CG LEU A 34 -4.962 -7.093 5.159 1.00 10.00 C ATOM 433 CD1 LEU A 34 -3.629 -6.445 4.828 1.00 10.00 C ATOM 434 CD2 LEU A 34 -4.813 -8.118 6.218 1.00 10.00 C ATOM 0 H LEU A 34 -6.193 -6.688 8.146 1.00 10.00 H new ATOM 0 HA LEU A 34 -4.672 -4.771 6.656 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -6.929 -6.587 5.798 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -6.206 -5.427 4.700 1.00 10.00 H new ATOM 0 HG LEU A 34 -5.313 -7.584 4.251 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -2.912 -7.214 4.540 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -3.760 -5.744 4.003 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -3.257 -5.911 5.702 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -4.067 -8.852 5.912 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -4.494 -7.640 7.144 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -5.769 -8.617 6.378 1.00 10.00 H new ATOM 446 N LEU A 35 -7.801 -4.298 7.337 1.00 10.00 N ATOM 447 CA LEU A 35 -8.925 -3.406 7.404 1.00 10.00 C ATOM 448 C LEU A 35 -8.625 -2.218 8.307 1.00 10.00 C ATOM 449 O LEU A 35 -9.219 -1.165 8.171 1.00 10.00 O ATOM 450 CB LEU A 35 -10.188 -4.182 7.821 1.00 10.00 C ATOM 451 CG LEU A 35 -10.874 -5.057 6.723 1.00 10.00 C ATOM 452 CD1 LEU A 35 -11.726 -4.187 5.823 1.00 10.00 C ATOM 453 CD2 LEU A 35 -9.837 -5.771 5.861 1.00 10.00 C ATOM 0 H LEU A 35 -7.952 -5.183 7.821 1.00 10.00 H new ATOM 0 HA LEU A 35 -9.118 -2.989 6.415 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -9.927 -4.830 8.658 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -10.921 -3.464 8.190 1.00 10.00 H new ATOM 0 HG LEU A 35 -11.492 -5.798 7.230 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -12.200 -4.806 5.061 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -12.494 -3.691 6.417 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -11.098 -3.437 5.342 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -10.343 -6.372 5.106 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -9.201 -5.034 5.371 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -9.225 -6.418 6.489 1.00 10.00 H new ATOM 465 N ASP A 36 -7.723 -2.406 9.231 1.00 10.00 N ATOM 466 CA ASP A 36 -7.213 -1.272 10.027 1.00 10.00 C ATOM 467 C ASP A 36 -6.205 -0.478 9.193 1.00 10.00 C ATOM 468 O ASP A 36 -6.233 0.760 9.181 1.00 10.00 O ATOM 469 CB ASP A 36 -6.575 -1.706 11.351 1.00 10.00 C ATOM 470 CG ASP A 36 -6.117 -0.510 12.194 1.00 10.00 C ATOM 471 OD1 ASP A 36 -6.975 0.152 12.841 1.00 10.00 O ATOM 472 OD2 ASP A 36 -4.910 -0.232 12.268 1.00 10.00 O ATOM 0 H ASP A 36 -7.317 -3.312 9.466 1.00 10.00 H new ATOM 0 HA ASP A 36 -8.068 -0.648 10.285 1.00 10.00 H new ATOM 0 HB2 ASP A 36 -7.292 -2.297 11.921 1.00 10.00 H new ATOM 0 HB3 ASP A 36 -5.721 -2.352 11.146 1.00 10.00 H new ATOM 477 N ILE A 37 -5.329 -1.214 8.478 1.00 10.00 N ATOM 478 CA ILE A 37 -4.355 -0.644 7.542 1.00 10.00 C ATOM 479 C ILE A 37 -5.020 0.343 6.582 1.00 10.00 C ATOM 480 O ILE A 37 -4.599 1.491 6.496 1.00 10.00 O ATOM 481 CB ILE A 37 -3.623 -1.776 6.738 1.00 10.00 C ATOM 482 CG1 ILE A 37 -2.488 -2.398 7.555 1.00 10.00 C ATOM 483 CG2 ILE A 37 -3.084 -1.280 5.397 1.00 10.00 C ATOM 484 CD1 ILE A 37 -2.195 -3.831 7.181 1.00 10.00 C ATOM 0 H ILE A 37 -5.283 -2.231 8.540 1.00 10.00 H new ATOM 0 HA ILE A 37 -3.615 -0.101 8.129 1.00 10.00 H new ATOM 0 HB ILE A 37 -4.374 -2.540 6.537 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -1.585 -1.803 7.420 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -2.745 -2.352 8.613 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -2.586 -2.100 4.879 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -3.909 -0.913 4.787 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -2.371 -0.473 5.567 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -1.380 -4.209 7.799 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -3.085 -4.439 7.343 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -1.907 -3.881 6.131 1.00 10.00 H new ATOM 496 N VAL A 38 -6.064 -0.110 5.879 1.00 10.00 N ATOM 497 CA VAL A 38 -6.802 0.751 4.937 1.00 10.00 C ATOM 498 C VAL A 38 -7.300 2.040 5.619 1.00 10.00 C ATOM 499 O VAL A 38 -7.144 3.141 5.068 1.00 10.00 O ATOM 500 CB VAL A 38 -7.967 -0.018 4.187 1.00 10.00 C ATOM 501 CG1 VAL A 38 -8.861 -0.733 5.143 1.00 10.00 C ATOM 502 CG2 VAL A 38 -8.802 0.908 3.308 1.00 10.00 C ATOM 0 H VAL A 38 -6.419 -1.064 5.941 1.00 10.00 H new ATOM 0 HA VAL A 38 -6.093 1.047 4.164 1.00 10.00 H new ATOM 0 HB VAL A 38 -7.476 -0.749 3.545 1.00 10.00 H new ATOM 0 HG11 VAL A 38 -9.647 -1.248 4.591 1.00 10.00 H new ATOM 0 HG12 VAL A 38 -8.280 -1.460 5.710 1.00 10.00 H new ATOM 0 HG13 VAL A 38 -9.310 -0.014 5.828 1.00 10.00 H new ATOM 0 HG21 VAL A 38 -9.587 0.333 2.816 1.00 10.00 H new ATOM 0 HG22 VAL A 38 -9.254 1.685 3.924 1.00 10.00 H new ATOM 0 HG23 VAL A 38 -8.163 1.368 2.555 1.00 10.00 H new ATOM 512 N GLU A 39 -7.799 1.904 6.846 1.00 10.00 N ATOM 513 CA GLU A 39 -8.290 3.037 7.611 1.00 10.00 C ATOM 514 C GLU A 39 -7.185 4.067 7.872 1.00 10.00 C ATOM 515 O GLU A 39 -7.307 5.235 7.458 1.00 10.00 O ATOM 516 CB GLU A 39 -8.908 2.588 8.936 1.00 10.00 C ATOM 517 CG GLU A 39 -10.187 1.783 8.802 1.00 10.00 C ATOM 518 CD GLU A 39 -10.778 1.437 10.147 1.00 10.00 C ATOM 519 OE1 GLU A 39 -11.146 2.363 10.893 1.00 10.00 O ATOM 520 OE2 GLU A 39 -10.900 0.245 10.487 1.00 10.00 O ATOM 0 H GLU A 39 -7.872 1.010 7.331 1.00 10.00 H new ATOM 0 HA GLU A 39 -9.064 3.512 7.008 1.00 10.00 H new ATOM 0 HB2 GLU A 39 -8.175 1.991 9.479 1.00 10.00 H new ATOM 0 HB3 GLU A 39 -9.113 3.470 9.543 1.00 10.00 H new ATOM 0 HG2 GLU A 39 -10.914 2.351 8.221 1.00 10.00 H new ATOM 0 HG3 GLU A 39 -9.983 0.866 8.249 1.00 10.00 H new ATOM 527 N THR A 40 -6.104 3.631 8.514 1.00 10.00 N ATOM 528 CA THR A 40 -5.002 4.521 8.872 1.00 10.00 C ATOM 529 C THR A 40 -4.272 5.054 7.613 1.00 10.00 C ATOM 530 O THR A 40 -3.799 6.203 7.595 1.00 10.00 O ATOM 531 CB THR A 40 -3.999 3.838 9.880 1.00 10.00 C ATOM 532 OG1 THR A 40 -2.980 4.756 10.309 1.00 10.00 O ATOM 533 CG2 THR A 40 -3.334 2.598 9.292 1.00 10.00 C ATOM 0 H THR A 40 -5.967 2.661 8.798 1.00 10.00 H new ATOM 0 HA THR A 40 -5.435 5.379 9.386 1.00 10.00 H new ATOM 0 HB THR A 40 -4.600 3.533 10.737 1.00 10.00 H new ATOM 0 HG1 THR A 40 -2.375 4.304 10.934 1.00 10.00 H new ATOM 0 HG21 THR A 40 -2.654 2.167 10.027 1.00 10.00 H new ATOM 0 HG22 THR A 40 -4.097 1.865 9.030 1.00 10.00 H new ATOM 0 HG23 THR A 40 -2.775 2.874 8.398 1.00 10.00 H new ATOM 541 N SER A 41 -4.243 4.240 6.557 1.00 10.00 N ATOM 542 CA SER A 41 -3.611 4.605 5.312 1.00 10.00 C ATOM 543 C SER A 41 -4.285 5.858 4.736 1.00 10.00 C ATOM 544 O SER A 41 -3.650 6.904 4.592 1.00 10.00 O ATOM 545 CB SER A 41 -3.691 3.421 4.323 1.00 10.00 C ATOM 546 OG SER A 41 -2.894 3.635 3.182 1.00 10.00 O ATOM 0 H SER A 41 -4.661 3.310 6.552 1.00 10.00 H new ATOM 0 HA SER A 41 -2.560 4.835 5.485 1.00 10.00 H new ATOM 0 HB2 SER A 41 -3.370 2.507 4.824 1.00 10.00 H new ATOM 0 HB3 SER A 41 -4.727 3.271 4.019 1.00 10.00 H new ATOM 0 HG SER A 41 -2.049 4.056 3.447 1.00 10.00 H new ATOM 552 N GLN A 42 -5.593 5.760 4.493 1.00 10.00 N ATOM 553 CA GLN A 42 -6.389 6.863 3.931 1.00 10.00 C ATOM 554 C GLN A 42 -6.315 8.076 4.784 1.00 10.00 C ATOM 555 O GLN A 42 -6.135 9.158 4.298 1.00 10.00 O ATOM 556 CB GLN A 42 -7.836 6.468 3.852 1.00 10.00 C ATOM 557 CG GLN A 42 -8.089 5.380 2.886 1.00 10.00 C ATOM 558 CD GLN A 42 -9.397 4.679 3.085 1.00 10.00 C ATOM 559 OE1 GLN A 42 -9.852 4.618 4.303 1.00 10.00 O flip ATOM 560 NE2 GLN A 42 -10.003 4.175 2.130 1.00 10.00 N flip ATOM 0 H GLN A 42 -6.134 4.916 4.679 1.00 10.00 H new ATOM 0 HA GLN A 42 -5.982 7.077 2.943 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -8.175 6.155 4.839 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -8.429 7.339 3.573 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -8.059 5.790 1.877 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -7.283 4.650 2.958 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -9.617 4.242 1.188 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -10.888 3.693 2.285 1.00 10.00 H new ATOM 569 N ALA A 43 -6.427 7.871 6.056 1.00 10.00 N ATOM 570 CA ALA A 43 -6.519 8.938 7.000 1.00 10.00 C ATOM 571 C ALA A 43 -5.264 9.826 7.034 1.00 10.00 C ATOM 572 O ALA A 43 -5.372 11.054 7.036 1.00 10.00 O ATOM 573 CB ALA A 43 -6.899 8.370 8.343 1.00 10.00 C ATOM 0 H ALA A 43 -6.458 6.942 6.476 1.00 10.00 H new ATOM 0 HA ALA A 43 -7.306 9.623 6.684 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -6.972 9.177 9.072 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -7.861 7.863 8.265 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -6.139 7.658 8.665 1.00 10.00 H new ATOM 579 N HIS A 44 -4.088 9.228 7.001 1.00 10.00 N ATOM 580 CA HIS A 44 -2.856 10.025 6.986 1.00 10.00 C ATOM 581 C HIS A 44 -2.578 10.492 5.570 1.00 10.00 C ATOM 582 O HIS A 44 -2.113 11.606 5.368 1.00 10.00 O ATOM 583 CB HIS A 44 -1.655 9.213 7.509 1.00 10.00 C ATOM 584 CG HIS A 44 -0.336 9.976 7.711 1.00 10.00 C ATOM 585 ND1 HIS A 44 0.855 9.333 7.973 1.00 10.00 N ATOM 586 CD2 HIS A 44 -0.025 11.305 7.668 1.00 10.00 C ATOM 587 CE1 HIS A 44 1.825 10.217 8.071 1.00 10.00 C ATOM 588 NE2 HIS A 44 1.330 11.413 7.893 1.00 10.00 N ATOM 0 H HIS A 44 -3.950 8.217 6.984 1.00 10.00 H new ATOM 0 HA HIS A 44 -2.994 10.883 7.644 1.00 10.00 H new ATOM 0 HB2 HIS A 44 -1.937 8.765 8.462 1.00 10.00 H new ATOM 0 HB3 HIS A 44 -1.470 8.394 6.814 1.00 10.00 H new ATOM 0 HD1 HIS A 44 0.967 8.324 8.075 1.00 10.00 H new ATOM 0 HD2 HIS A 44 -0.712 12.119 7.491 1.00 10.00 H new ATOM 0 HE1 HIS A 44 2.863 9.990 8.267 1.00 10.00 H new ATOM 0 HE2 HIS A 44 1.860 12.284 7.917 1.00 10.00 H new ATOM 597 N ASN A 45 -2.877 9.665 4.602 1.00 10.00 N ATOM 598 CA ASN A 45 -2.589 9.992 3.218 1.00 10.00 C ATOM 599 C ASN A 45 -3.472 11.077 2.686 1.00 10.00 C ATOM 600 O ASN A 45 -2.995 11.948 1.997 1.00 10.00 O ATOM 601 CB ASN A 45 -2.568 8.765 2.320 1.00 10.00 C ATOM 602 CG ASN A 45 -1.290 7.966 2.497 1.00 10.00 C ATOM 603 OD1 ASN A 45 -0.641 8.009 3.560 1.00 10.00 O ATOM 604 ND2 ASN A 45 -0.912 7.231 1.480 1.00 10.00 N ATOM 0 H ASN A 45 -3.321 8.757 4.741 1.00 10.00 H new ATOM 0 HA ASN A 45 -1.576 10.394 3.208 1.00 10.00 H new ATOM 0 HB2 ASN A 45 -3.427 8.133 2.546 1.00 10.00 H new ATOM 0 HB3 ASN A 45 -2.664 9.073 1.279 1.00 10.00 H new ATOM 0 HD21 ASN A 45 -0.062 6.670 1.544 1.00 10.00 H new ATOM 0 HD22 ASN A 45 -1.468 7.220 0.625 1.00 10.00 H new ATOM 611 N ALA A 46 -4.742 11.062 3.049 1.00 10.00 N ATOM 612 CA ALA A 46 -5.665 12.120 2.651 1.00 10.00 C ATOM 613 C ALA A 46 -5.169 13.425 3.206 1.00 10.00 C ATOM 614 O ALA A 46 -5.138 14.446 2.514 1.00 10.00 O ATOM 615 CB ALA A 46 -7.063 11.851 3.182 1.00 10.00 C ATOM 0 H ALA A 46 -5.162 10.329 3.620 1.00 10.00 H new ATOM 0 HA ALA A 46 -5.712 12.157 1.563 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -7.731 12.654 2.871 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -7.427 10.903 2.786 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -7.036 11.803 4.271 1.00 10.00 H new ATOM 621 N ARG A 47 -4.726 13.365 4.460 1.00 10.00 N ATOM 622 CA ARG A 47 -4.191 14.517 5.142 1.00 10.00 C ATOM 623 C ARG A 47 -2.951 15.009 4.444 1.00 10.00 C ATOM 624 O ARG A 47 -2.849 16.187 4.092 1.00 10.00 O ATOM 625 CB ARG A 47 -3.847 14.165 6.562 1.00 10.00 C ATOM 626 CG ARG A 47 -3.342 15.331 7.394 1.00 10.00 C ATOM 627 CD ARG A 47 -3.002 14.886 8.798 1.00 10.00 C ATOM 628 NE ARG A 47 -2.382 15.955 9.578 1.00 10.00 N ATOM 629 CZ ARG A 47 -1.849 15.803 10.794 1.00 10.00 C ATOM 630 NH1 ARG A 47 -1.933 14.631 11.421 1.00 10.00 N ATOM 631 NH2 ARG A 47 -1.256 16.832 11.387 1.00 10.00 N ATOM 0 H ARG A 47 -4.732 12.514 5.022 1.00 10.00 H new ATOM 0 HA ARG A 47 -4.948 15.302 5.133 1.00 10.00 H new ATOM 0 HB2 ARG A 47 -4.731 13.747 7.044 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -3.087 13.383 6.556 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -2.460 15.764 6.922 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -4.101 16.113 7.430 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -3.909 14.550 9.301 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -2.327 14.032 8.754 1.00 10.00 H new ATOM 0 HE ARG A 47 -2.354 16.887 9.163 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -2.405 13.846 10.973 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -1.525 14.519 12.349 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -1.208 17.735 10.915 1.00 10.00 H new ATOM 0 HH22 ARG A 47 -0.848 16.720 12.315 1.00 10.00 H new ATOM 645 N ALA A 48 -2.020 14.111 4.202 1.00 10.00 N ATOM 646 CA ALA A 48 -0.788 14.520 3.603 1.00 10.00 C ATOM 647 C ALA A 48 -0.898 14.746 2.082 1.00 10.00 C ATOM 648 O ALA A 48 0.079 15.145 1.454 1.00 10.00 O ATOM 649 CB ALA A 48 0.351 13.599 3.960 1.00 10.00 C ATOM 0 H ALA A 48 -2.098 13.115 4.409 1.00 10.00 H new ATOM 0 HA ALA A 48 -0.557 15.495 4.033 1.00 10.00 H new ATOM 0 HB1 ALA A 48 1.266 13.950 3.482 1.00 10.00 H new ATOM 0 HB2 ALA A 48 0.487 13.590 5.041 1.00 10.00 H new ATOM 0 HB3 ALA A 48 0.125 12.590 3.615 1.00 10.00 H new ATOM 655 N GLN A 49 -2.113 14.504 1.507 1.00 10.00 N ATOM 656 CA GLN A 49 -2.447 14.753 0.063 1.00 10.00 C ATOM 657 C GLN A 49 -1.829 13.690 -0.834 1.00 10.00 C ATOM 658 O GLN A 49 -1.647 13.875 -2.052 1.00 10.00 O ATOM 659 CB GLN A 49 -2.009 16.150 -0.339 1.00 10.00 C ATOM 660 CG GLN A 49 -2.582 17.181 0.552 1.00 10.00 C ATOM 661 CD GLN A 49 -1.603 18.273 0.834 1.00 10.00 C ATOM 662 OE1 GLN A 49 -1.541 19.280 0.124 1.00 10.00 O ATOM 663 NE2 GLN A 49 -0.826 18.066 1.862 1.00 10.00 N ATOM 0 H GLN A 49 -2.899 14.126 2.036 1.00 10.00 H new ATOM 0 HA GLN A 49 -3.528 14.687 -0.063 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -0.921 16.211 -0.314 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -2.316 16.346 -1.366 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -3.476 17.603 0.093 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -2.893 16.720 1.489 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -0.925 17.213 2.412 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -0.120 18.757 2.115 1.00 10.00 H new ATOM 672 N LEU A 50 -1.557 12.587 -0.217 1.00 10.00 N ATOM 673 CA LEU A 50 -0.998 11.419 -0.834 1.00 10.00 C ATOM 674 C LEU A 50 -2.055 10.588 -1.517 1.00 10.00 C ATOM 675 O LEU A 50 -3.048 10.180 -0.909 1.00 10.00 O ATOM 676 CB LEU A 50 -0.259 10.592 0.200 1.00 10.00 C ATOM 677 CG LEU A 50 1.202 10.951 0.444 1.00 10.00 C ATOM 678 CD1 LEU A 50 1.405 12.420 0.706 1.00 10.00 C ATOM 679 CD2 LEU A 50 1.763 10.148 1.575 1.00 10.00 C ATOM 0 H LEU A 50 -1.726 12.466 0.782 1.00 10.00 H new ATOM 0 HA LEU A 50 -0.296 11.747 -1.601 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -0.793 10.674 1.147 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -0.307 9.546 -0.103 1.00 10.00 H new ATOM 0 HG LEU A 50 1.737 10.709 -0.474 1.00 10.00 H new ATOM 0 HD11 LEU A 50 2.464 12.617 0.873 1.00 10.00 H new ATOM 0 HD12 LEU A 50 1.060 12.994 -0.154 1.00 10.00 H new ATOM 0 HD13 LEU A 50 0.838 12.714 1.589 1.00 10.00 H new ATOM 0 HD21 LEU A 50 2.807 10.420 1.732 1.00 10.00 H new ATOM 0 HD22 LEU A 50 1.195 10.351 2.483 1.00 10.00 H new ATOM 0 HD23 LEU A 50 1.697 9.087 1.336 1.00 10.00 H new ATOM 691 N THR A 51 -1.844 10.352 -2.772 1.00 10.00 N ATOM 692 CA THR A 51 -2.734 9.601 -3.570 1.00 10.00 C ATOM 693 C THR A 51 -2.164 8.217 -3.807 1.00 10.00 C ATOM 694 O THR A 51 -0.966 8.032 -3.733 1.00 10.00 O ATOM 695 CB THR A 51 -3.046 10.389 -4.834 1.00 10.00 C ATOM 696 OG1 THR A 51 -1.850 10.697 -5.548 1.00 10.00 O ATOM 697 CG2 THR A 51 -3.643 11.684 -4.380 1.00 10.00 C ATOM 0 H THR A 51 -1.023 10.689 -3.275 1.00 10.00 H new ATOM 0 HA THR A 51 -3.688 9.439 -3.068 1.00 10.00 H new ATOM 0 HB THR A 51 -3.706 9.812 -5.482 1.00 10.00 H new ATOM 0 HG1 THR A 51 -1.919 10.356 -6.464 1.00 10.00 H new ATOM 0 HG21 THR A 51 -3.889 12.295 -5.248 1.00 10.00 H new ATOM 0 HG22 THR A 51 -4.549 11.486 -3.807 1.00 10.00 H new ATOM 0 HG23 THR A 51 -2.927 12.215 -3.753 1.00 10.00 H new ATOM 705 N GLY A 52 -3.003 7.253 -4.008 1.00 10.00 N ATOM 706 CA GLY A 52 -2.532 5.912 -3.944 1.00 10.00 C ATOM 707 C GLY A 52 -3.486 4.901 -4.457 1.00 10.00 C ATOM 708 O GLY A 52 -4.599 5.228 -4.904 1.00 10.00 O ATOM 0 H GLY A 52 -3.996 7.366 -4.213 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -1.604 5.839 -4.511 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -2.292 5.674 -2.908 1.00 10.00 H new ATOM 712 N ALA A 53 -3.040 3.701 -4.419 1.00 10.00 N ATOM 713 CA ALA A 53 -3.800 2.515 -4.727 1.00 10.00 C ATOM 714 C ALA A 53 -2.938 1.333 -4.362 1.00 10.00 C ATOM 715 O ALA A 53 -1.736 1.507 -4.143 1.00 10.00 O ATOM 716 CB ALA A 53 -4.243 2.459 -6.191 1.00 10.00 C ATOM 0 H ALA A 53 -2.077 3.491 -4.158 1.00 10.00 H new ATOM 0 HA ALA A 53 -4.727 2.513 -4.153 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -4.811 1.545 -6.365 1.00 10.00 H new ATOM 0 HB2 ALA A 53 -4.869 3.323 -6.415 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -3.365 2.469 -6.837 1.00 10.00 H new ATOM 722 N LEU A 54 -3.514 0.169 -4.242 1.00 10.00 N ATOM 723 CA LEU A 54 -2.728 -0.997 -3.973 1.00 10.00 C ATOM 724 C LEU A 54 -3.379 -2.187 -4.567 1.00 10.00 C ATOM 725 O LEU A 54 -4.618 -2.246 -4.667 1.00 10.00 O ATOM 726 CB LEU A 54 -2.438 -1.193 -2.450 1.00 10.00 C ATOM 727 CG LEU A 54 -3.571 -1.643 -1.485 1.00 10.00 C ATOM 728 CD1 LEU A 54 -3.878 -3.142 -1.612 1.00 10.00 C ATOM 729 CD2 LEU A 54 -3.185 -1.328 -0.062 1.00 10.00 C ATOM 0 H LEU A 54 -4.517 0.005 -4.326 1.00 10.00 H new ATOM 0 HA LEU A 54 -1.753 -0.858 -4.441 1.00 10.00 H new ATOM 0 HB2 LEU A 54 -1.634 -1.925 -2.367 1.00 10.00 H new ATOM 0 HB3 LEU A 54 -2.049 -0.248 -2.072 1.00 10.00 H new ATOM 0 HG LEU A 54 -4.472 -1.094 -1.761 1.00 10.00 H new ATOM 0 HD11 LEU A 54 -4.675 -3.410 -0.919 1.00 10.00 H new ATOM 0 HD12 LEU A 54 -4.193 -3.364 -2.632 1.00 10.00 H new ATOM 0 HD13 LEU A 54 -2.983 -3.718 -1.376 1.00 10.00 H new ATOM 0 HD21 LEU A 54 -3.982 -1.645 0.610 1.00 10.00 H new ATOM 0 HD22 LEU A 54 -2.266 -1.856 0.191 1.00 10.00 H new ATOM 0 HD23 LEU A 54 -3.028 -0.255 0.043 1.00 10.00 H new ATOM 741 N PHE A 55 -2.575 -3.119 -4.942 1.00 10.00 N ATOM 742 CA PHE A 55 -3.010 -4.352 -5.490 1.00 10.00 C ATOM 743 C PHE A 55 -2.391 -5.476 -4.692 1.00 10.00 C ATOM 744 O PHE A 55 -1.172 -5.644 -4.663 1.00 10.00 O ATOM 745 CB PHE A 55 -2.651 -4.461 -6.982 1.00 10.00 C ATOM 746 CG PHE A 55 -3.372 -3.459 -7.850 1.00 10.00 C ATOM 747 CD1 PHE A 55 -2.834 -2.203 -8.090 1.00 10.00 C ATOM 748 CD2 PHE A 55 -4.597 -3.776 -8.417 1.00 10.00 C ATOM 749 CE1 PHE A 55 -3.501 -1.285 -8.875 1.00 10.00 C ATOM 750 CE2 PHE A 55 -5.270 -2.862 -9.204 1.00 10.00 C ATOM 751 CZ PHE A 55 -4.720 -1.615 -9.433 1.00 10.00 C ATOM 0 H PHE A 55 -1.561 -3.039 -4.872 1.00 10.00 H new ATOM 0 HA PHE A 55 -4.096 -4.415 -5.427 1.00 10.00 H new ATOM 0 HB2 PHE A 55 -1.576 -4.325 -7.100 1.00 10.00 H new ATOM 0 HB3 PHE A 55 -2.885 -5.467 -7.331 1.00 10.00 H new ATOM 0 HD1 PHE A 55 -1.880 -1.940 -7.657 1.00 10.00 H new ATOM 0 HD2 PHE A 55 -5.030 -4.750 -8.241 1.00 10.00 H new ATOM 0 HE1 PHE A 55 -3.071 -0.311 -9.053 1.00 10.00 H new ATOM 0 HE2 PHE A 55 -6.224 -3.121 -9.639 1.00 10.00 H new ATOM 0 HZ PHE A 55 -5.244 -0.899 -10.048 1.00 10.00 H new ATOM 761 N TYR A 56 -3.222 -6.190 -4.003 1.00 10.00 N ATOM 762 CA TYR A 56 -2.804 -7.310 -3.218 1.00 10.00 C ATOM 763 C TYR A 56 -3.250 -8.529 -3.999 1.00 10.00 C ATOM 764 O TYR A 56 -4.444 -8.805 -4.107 1.00 10.00 O ATOM 765 CB TYR A 56 -3.465 -7.238 -1.805 1.00 10.00 C ATOM 766 CG TYR A 56 -3.047 -8.311 -0.774 1.00 10.00 C ATOM 767 CD1 TYR A 56 -2.845 -9.649 -1.123 1.00 10.00 C ATOM 768 CD2 TYR A 56 -2.892 -7.969 0.565 1.00 10.00 C ATOM 769 CE1 TYR A 56 -2.496 -10.595 -0.181 1.00 10.00 C ATOM 770 CE2 TYR A 56 -2.538 -8.916 1.515 1.00 10.00 C ATOM 771 CZ TYR A 56 -2.342 -10.229 1.133 1.00 10.00 C ATOM 772 OH TYR A 56 -1.979 -11.181 2.074 1.00 10.00 O ATOM 0 H TYR A 56 -4.225 -6.010 -3.968 1.00 10.00 H new ATOM 0 HA TYR A 56 -1.728 -7.336 -3.048 1.00 10.00 H new ATOM 0 HB2 TYR A 56 -3.247 -6.258 -1.380 1.00 10.00 H new ATOM 0 HB3 TYR A 56 -4.546 -7.297 -1.934 1.00 10.00 H new ATOM 0 HD1 TYR A 56 -2.965 -9.949 -2.153 1.00 10.00 H new ATOM 0 HD2 TYR A 56 -3.050 -6.946 0.871 1.00 10.00 H new ATOM 0 HE1 TYR A 56 -2.344 -11.622 -0.477 1.00 10.00 H new ATOM 0 HE2 TYR A 56 -2.416 -8.628 2.549 1.00 10.00 H new ATOM 0 HH TYR A 56 -1.911 -10.760 2.956 1.00 10.00 H new ATOM 782 N SER A 57 -2.315 -9.200 -4.595 1.00 10.00 N ATOM 783 CA SER A 57 -2.620 -10.329 -5.415 1.00 10.00 C ATOM 784 C SER A 57 -2.010 -11.592 -4.842 1.00 10.00 C ATOM 785 O SER A 57 -0.786 -11.777 -4.902 1.00 10.00 O ATOM 786 CB SER A 57 -2.135 -10.077 -6.837 1.00 10.00 C ATOM 787 OG SER A 57 -2.699 -8.866 -7.347 1.00 10.00 O ATOM 0 H SER A 57 -1.321 -8.981 -4.527 1.00 10.00 H new ATOM 0 HA SER A 57 -3.701 -10.470 -5.437 1.00 10.00 H new ATOM 0 HB2 SER A 57 -1.047 -10.014 -6.851 1.00 10.00 H new ATOM 0 HB3 SER A 57 -2.414 -10.914 -7.477 1.00 10.00 H new ATOM 0 HG SER A 57 -2.378 -8.715 -8.261 1.00 10.00 H new ATOM 793 N GLN A 58 -2.868 -12.412 -4.240 1.00 10.00 N ATOM 794 CA GLN A 58 -2.520 -13.704 -3.653 1.00 10.00 C ATOM 795 C GLN A 58 -1.579 -13.555 -2.446 1.00 10.00 C ATOM 796 O GLN A 58 -2.031 -13.590 -1.300 1.00 10.00 O ATOM 797 CB GLN A 58 -1.975 -14.674 -4.719 1.00 10.00 C ATOM 798 CG GLN A 58 -1.628 -16.061 -4.206 1.00 10.00 C ATOM 799 CD GLN A 58 -1.189 -16.995 -5.313 1.00 10.00 C ATOM 800 OE1 GLN A 58 -0.620 -16.579 -6.326 1.00 10.00 O ATOM 801 NE2 GLN A 58 -1.440 -18.251 -5.138 1.00 10.00 N ATOM 0 H GLN A 58 -3.858 -12.188 -4.144 1.00 10.00 H new ATOM 0 HA GLN A 58 -3.437 -14.147 -3.264 1.00 10.00 H new ATOM 0 HB2 GLN A 58 -2.715 -14.771 -5.513 1.00 10.00 H new ATOM 0 HB3 GLN A 58 -1.083 -14.235 -5.167 1.00 10.00 H new ATOM 0 HG2 GLN A 58 -0.833 -15.982 -3.465 1.00 10.00 H new ATOM 0 HG3 GLN A 58 -2.495 -16.485 -3.700 1.00 10.00 H new ATOM 0 HE21 GLN A 58 -1.912 -18.563 -4.289 1.00 10.00 H new ATOM 0 HE22 GLN A 58 -1.166 -18.930 -5.848 1.00 10.00 H new ATOM 810 N GLY A 59 -0.306 -13.361 -2.695 1.00 10.00 N ATOM 811 CA GLY A 59 0.627 -13.189 -1.620 1.00 10.00 C ATOM 812 C GLY A 59 1.469 -11.955 -1.792 1.00 10.00 C ATOM 813 O GLY A 59 2.207 -11.574 -0.889 1.00 10.00 O ATOM 0 H GLY A 59 0.101 -13.319 -3.629 1.00 10.00 H new ATOM 0 HA2 GLY A 59 0.085 -13.128 -0.676 1.00 10.00 H new ATOM 0 HA3 GLY A 59 1.275 -14.064 -1.560 1.00 10.00 H new ATOM 817 N VAL A 60 1.369 -11.309 -2.933 1.00 10.00 N ATOM 818 CA VAL A 60 2.185 -10.150 -3.155 1.00 10.00 C ATOM 819 C VAL A 60 1.413 -8.864 -2.929 1.00 10.00 C ATOM 820 O VAL A 60 0.284 -8.682 -3.416 1.00 10.00 O ATOM 821 CB VAL A 60 2.915 -10.132 -4.544 1.00 10.00 C ATOM 822 CG1 VAL A 60 3.733 -11.399 -4.752 1.00 10.00 C ATOM 823 CG2 VAL A 60 1.954 -9.901 -5.706 1.00 10.00 C ATOM 0 H VAL A 60 0.746 -11.562 -3.700 1.00 10.00 H new ATOM 0 HA VAL A 60 2.974 -10.216 -2.406 1.00 10.00 H new ATOM 0 HB VAL A 60 3.599 -9.283 -4.528 1.00 10.00 H new ATOM 0 HG11 VAL A 60 4.227 -11.358 -5.723 1.00 10.00 H new ATOM 0 HG12 VAL A 60 4.484 -11.481 -3.966 1.00 10.00 H new ATOM 0 HG13 VAL A 60 3.075 -12.267 -4.717 1.00 10.00 H new ATOM 0 HG21 VAL A 60 2.511 -9.898 -6.643 1.00 10.00 H new ATOM 0 HG22 VAL A 60 1.211 -10.698 -5.728 1.00 10.00 H new ATOM 0 HG23 VAL A 60 1.453 -8.942 -5.578 1.00 10.00 H new ATOM 833 N PHE A 61 1.983 -8.039 -2.115 1.00 10.00 N ATOM 834 CA PHE A 61 1.494 -6.711 -1.868 1.00 10.00 C ATOM 835 C PHE A 61 2.159 -5.750 -2.838 1.00 10.00 C ATOM 836 O PHE A 61 3.386 -5.709 -2.898 1.00 10.00 O ATOM 837 CB PHE A 61 1.981 -6.274 -0.507 1.00 10.00 C ATOM 838 CG PHE A 61 0.987 -6.012 0.557 1.00 10.00 C ATOM 839 CD1 PHE A 61 -0.219 -5.378 0.306 1.00 10.00 C ATOM 840 CD2 PHE A 61 1.294 -6.381 1.838 1.00 10.00 C ATOM 841 CE1 PHE A 61 -1.090 -5.129 1.345 1.00 10.00 C ATOM 842 CE2 PHE A 61 0.454 -6.135 2.866 1.00 10.00 C ATOM 843 CZ PHE A 61 -0.740 -5.513 2.630 1.00 10.00 C ATOM 0 H PHE A 61 2.824 -8.270 -1.586 1.00 10.00 H new ATOM 0 HA PHE A 61 0.408 -6.709 -1.957 1.00 10.00 H new ATOM 0 HB2 PHE A 61 2.663 -7.040 -0.139 1.00 10.00 H new ATOM 0 HB3 PHE A 61 2.566 -5.365 -0.643 1.00 10.00 H new ATOM 0 HD1 PHE A 61 -0.476 -5.080 -0.700 1.00 10.00 H new ATOM 0 HD2 PHE A 61 2.231 -6.881 2.032 1.00 10.00 H new ATOM 0 HE1 PHE A 61 -2.035 -4.640 1.160 1.00 10.00 H new ATOM 0 HE2 PHE A 61 0.724 -6.428 3.870 1.00 10.00 H new ATOM 0 HZ PHE A 61 -1.415 -5.319 3.450 1.00 10.00 H new ATOM 853 N PHE A 62 1.401 -5.031 -3.594 1.00 10.00 N ATOM 854 CA PHE A 62 1.942 -3.915 -4.331 1.00 10.00 C ATOM 855 C PHE A 62 1.168 -2.701 -3.899 1.00 10.00 C ATOM 856 O PHE A 62 -0.035 -2.638 -4.088 1.00 10.00 O ATOM 857 CB PHE A 62 1.864 -4.094 -5.854 1.00 10.00 C ATOM 858 CG PHE A 62 2.542 -2.967 -6.608 1.00 10.00 C ATOM 859 CD1 PHE A 62 3.906 -3.012 -6.866 1.00 10.00 C ATOM 860 CD2 PHE A 62 1.819 -1.858 -7.044 1.00 10.00 C ATOM 861 CE1 PHE A 62 4.532 -1.981 -7.538 1.00 10.00 C ATOM 862 CE2 PHE A 62 2.446 -0.829 -7.719 1.00 10.00 C ATOM 863 CZ PHE A 62 3.801 -0.890 -7.965 1.00 10.00 C ATOM 0 H PHE A 62 0.402 -5.188 -3.725 1.00 10.00 H new ATOM 0 HA PHE A 62 3.006 -3.822 -4.112 1.00 10.00 H new ATOM 0 HB2 PHE A 62 2.328 -5.041 -6.129 1.00 10.00 H new ATOM 0 HB3 PHE A 62 0.818 -4.151 -6.156 1.00 10.00 H new ATOM 0 HD1 PHE A 62 4.484 -3.863 -6.537 1.00 10.00 H new ATOM 0 HD2 PHE A 62 0.758 -1.803 -6.852 1.00 10.00 H new ATOM 0 HE1 PHE A 62 5.594 -2.028 -7.730 1.00 10.00 H new ATOM 0 HE2 PHE A 62 1.874 0.024 -8.054 1.00 10.00 H new ATOM 0 HZ PHE A 62 4.291 -0.084 -8.492 1.00 10.00 H new ATOM 873 N GLN A 63 1.834 -1.769 -3.309 1.00 10.00 N ATOM 874 CA GLN A 63 1.191 -0.608 -2.745 1.00 10.00 C ATOM 875 C GLN A 63 2.061 0.570 -3.104 1.00 10.00 C ATOM 876 O GLN A 63 3.283 0.513 -2.902 1.00 10.00 O ATOM 877 CB GLN A 63 1.166 -0.798 -1.206 1.00 10.00 C ATOM 878 CG GLN A 63 0.183 0.054 -0.372 1.00 10.00 C ATOM 879 CD GLN A 63 0.284 1.553 -0.548 1.00 10.00 C ATOM 880 OE1 GLN A 63 -0.386 2.125 -1.367 1.00 10.00 O ATOM 881 NE2 GLN A 63 1.113 2.190 0.232 1.00 10.00 N ATOM 0 H GLN A 63 2.848 -1.781 -3.198 1.00 10.00 H new ATOM 0 HA GLN A 63 0.175 -0.460 -3.111 1.00 10.00 H new ATOM 0 HB2 GLN A 63 0.948 -1.847 -1.005 1.00 10.00 H new ATOM 0 HB3 GLN A 63 2.171 -0.605 -0.832 1.00 10.00 H new ATOM 0 HG2 GLN A 63 -0.833 -0.253 -0.621 1.00 10.00 H new ATOM 0 HG3 GLN A 63 0.337 -0.178 0.682 1.00 10.00 H new ATOM 0 HE21 GLN A 63 1.667 1.675 0.916 1.00 10.00 H new ATOM 0 HE22 GLN A 63 1.207 3.203 0.157 1.00 10.00 H new ATOM 890 N TRP A 64 1.497 1.611 -3.648 1.00 10.00 N ATOM 891 CA TRP A 64 2.300 2.744 -3.941 1.00 10.00 C ATOM 892 C TRP A 64 1.553 4.013 -3.634 1.00 10.00 C ATOM 893 O TRP A 64 0.316 4.044 -3.647 1.00 10.00 O ATOM 894 CB TRP A 64 2.850 2.736 -5.380 1.00 10.00 C ATOM 895 CG TRP A 64 2.020 3.294 -6.483 1.00 10.00 C ATOM 896 CD1 TRP A 64 2.345 4.388 -7.222 1.00 10.00 C ATOM 897 CD2 TRP A 64 0.770 2.830 -6.989 1.00 10.00 C ATOM 898 NE1 TRP A 64 1.411 4.616 -8.166 1.00 10.00 N ATOM 899 CE2 TRP A 64 0.419 3.687 -8.045 1.00 10.00 C ATOM 900 CE3 TRP A 64 -0.078 1.784 -6.665 1.00 10.00 C ATOM 901 CZ2 TRP A 64 -0.740 3.528 -8.775 1.00 10.00 C ATOM 902 CZ3 TRP A 64 -1.239 1.632 -7.386 1.00 10.00 C ATOM 903 CH2 TRP A 64 -1.560 2.502 -8.430 1.00 10.00 C ATOM 0 H TRP A 64 0.509 1.691 -3.889 1.00 10.00 H new ATOM 0 HA TRP A 64 3.174 2.694 -3.292 1.00 10.00 H new ATOM 0 HB2 TRP A 64 3.794 3.282 -5.373 1.00 10.00 H new ATOM 0 HB3 TRP A 64 3.082 1.702 -5.636 1.00 10.00 H new ATOM 0 HD1 TRP A 64 3.229 4.990 -7.073 1.00 10.00 H new ATOM 0 HE1 TRP A 64 1.441 5.363 -8.860 1.00 10.00 H new ATOM 0 HE3 TRP A 64 0.167 1.103 -5.864 1.00 10.00 H new ATOM 0 HZ2 TRP A 64 -0.986 4.193 -9.589 1.00 10.00 H new ATOM 0 HZ3 TRP A 64 -1.914 0.826 -7.141 1.00 10.00 H new ATOM 0 HH2 TRP A 64 -2.481 2.356 -8.975 1.00 10.00 H new ATOM 914 N LEU A 65 2.289 5.037 -3.367 1.00 10.00 N ATOM 915 CA LEU A 65 1.728 6.284 -2.972 1.00 10.00 C ATOM 916 C LEU A 65 2.407 7.438 -3.676 1.00 10.00 C ATOM 917 O LEU A 65 3.635 7.440 -3.862 1.00 10.00 O ATOM 918 CB LEU A 65 1.789 6.470 -1.447 1.00 10.00 C ATOM 919 CG LEU A 65 3.169 6.380 -0.793 1.00 10.00 C ATOM 920 CD1 LEU A 65 3.116 7.008 0.564 1.00 10.00 C ATOM 921 CD2 LEU A 65 3.655 4.939 -0.643 1.00 10.00 C ATOM 0 H LEU A 65 3.308 5.032 -3.417 1.00 10.00 H new ATOM 0 HA LEU A 65 0.679 6.275 -3.268 1.00 10.00 H new ATOM 0 HB2 LEU A 65 1.363 7.444 -1.207 1.00 10.00 H new ATOM 0 HB3 LEU A 65 1.146 5.719 -0.988 1.00 10.00 H new ATOM 0 HG LEU A 65 3.868 6.904 -1.445 1.00 10.00 H new ATOM 0 HD11 LEU A 65 4.098 6.945 1.033 1.00 10.00 H new ATOM 0 HD12 LEU A 65 2.825 8.054 0.470 1.00 10.00 H new ATOM 0 HD13 LEU A 65 2.386 6.483 1.180 1.00 10.00 H new ATOM 0 HD21 LEU A 65 4.639 4.934 -0.173 1.00 10.00 H new ATOM 0 HD22 LEU A 65 2.954 4.381 -0.022 1.00 10.00 H new ATOM 0 HD23 LEU A 65 3.720 4.473 -1.626 1.00 10.00 H new ATOM 933 N GLU A 66 1.606 8.380 -4.087 1.00 10.00 N ATOM 934 CA GLU A 66 2.045 9.579 -4.726 1.00 10.00 C ATOM 935 C GLU A 66 1.898 10.702 -3.702 1.00 10.00 C ATOM 936 O GLU A 66 0.816 10.914 -3.189 1.00 10.00 O ATOM 937 CB GLU A 66 1.096 9.919 -5.873 1.00 10.00 C ATOM 938 CG GLU A 66 0.713 8.806 -6.837 1.00 10.00 C ATOM 939 CD GLU A 66 -0.152 9.345 -7.970 1.00 10.00 C ATOM 940 OE1 GLU A 66 -1.419 9.430 -7.833 1.00 10.00 O ATOM 941 OE2 GLU A 66 0.418 9.732 -8.990 1.00 10.00 O ATOM 0 H GLU A 66 0.593 8.328 -3.980 1.00 10.00 H new ATOM 0 HA GLU A 66 3.065 9.461 -5.091 1.00 10.00 H new ATOM 0 HB2 GLU A 66 0.178 10.316 -5.440 1.00 10.00 H new ATOM 0 HB3 GLU A 66 1.549 10.723 -6.454 1.00 10.00 H new ATOM 0 HG2 GLU A 66 1.613 8.348 -7.247 1.00 10.00 H new ATOM 0 HG3 GLU A 66 0.173 8.025 -6.302 1.00 10.00 H new ATOM 948 N GLY A 67 2.941 11.407 -3.418 1.00 10.00 N ATOM 949 CA GLY A 67 2.846 12.482 -2.468 1.00 10.00 C ATOM 950 C GLY A 67 4.072 13.332 -2.513 1.00 10.00 C ATOM 951 O GLY A 67 4.982 13.012 -3.242 1.00 10.00 O ATOM 0 H GLY A 67 3.867 11.266 -3.823 1.00 10.00 H new ATOM 0 HA2 GLY A 67 1.967 13.090 -2.685 1.00 10.00 H new ATOM 0 HA3 GLY A 67 2.714 12.077 -1.465 1.00 10.00 H new ATOM 955 N HIS A 68 4.101 14.422 -1.769 1.00 10.00 N ATOM 956 CA HIS A 68 5.316 15.238 -1.681 1.00 10.00 C ATOM 957 C HIS A 68 6.357 14.428 -0.903 1.00 10.00 C ATOM 958 O HIS A 68 6.066 14.021 0.186 1.00 10.00 O ATOM 959 CB HIS A 68 5.015 16.578 -0.965 1.00 10.00 C ATOM 960 CG HIS A 68 6.213 17.377 -0.643 1.00 10.00 C ATOM 961 ND1 HIS A 68 6.846 18.238 -1.367 1.00 10.00 N flip ATOM 962 CD2 HIS A 68 6.904 17.276 0.546 1.00 10.00 C flip ATOM 963 CE1 HIS A 68 7.935 18.670 -0.653 1.00 10.00 C flip ATOM 964 NE2 HIS A 68 7.943 18.059 0.512 1.00 10.00 N flip ATOM 0 H HIS A 68 3.313 14.767 -1.221 1.00 10.00 H new ATOM 0 HA HIS A 68 5.691 15.479 -2.676 1.00 10.00 H new ATOM 0 HB2 HIS A 68 4.355 17.173 -1.596 1.00 10.00 H new ATOM 0 HB3 HIS A 68 4.473 16.370 -0.043 1.00 10.00 H new ATOM 0 HD2 HIS A 68 6.626 16.645 1.377 1.00 10.00 H new ATOM 0 HE1 HIS A 68 8.664 19.391 -0.991 1.00 10.00 H new ATOM 0 HE2 HIS A 68 8.635 18.177 1.252 1.00 10.00 H new ATOM 973 N PRO A 69 7.589 14.216 -1.468 1.00 10.00 N ATOM 974 CA PRO A 69 8.651 13.297 -0.961 1.00 10.00 C ATOM 975 C PRO A 69 8.706 13.069 0.549 1.00 10.00 C ATOM 976 O PRO A 69 8.738 11.934 1.006 1.00 10.00 O ATOM 977 CB PRO A 69 9.948 13.945 -1.453 1.00 10.00 C ATOM 978 CG PRO A 69 9.529 15.091 -2.329 1.00 10.00 C ATOM 979 CD PRO A 69 8.086 14.873 -2.662 1.00 10.00 C ATOM 0 HA PRO A 69 8.457 12.290 -1.331 1.00 10.00 H new ATOM 0 HB2 PRO A 69 10.552 14.294 -0.616 1.00 10.00 H new ATOM 0 HB3 PRO A 69 10.555 13.230 -2.009 1.00 10.00 H new ATOM 0 HG2 PRO A 69 9.668 16.042 -1.815 1.00 10.00 H new ATOM 0 HG3 PRO A 69 10.134 15.127 -3.235 1.00 10.00 H new ATOM 0 HD2 PRO A 69 7.567 15.812 -2.856 1.00 10.00 H new ATOM 0 HD3 PRO A 69 7.963 14.252 -3.549 1.00 10.00 H new ATOM 987 N ALA A 70 8.673 14.126 1.311 1.00 10.00 N ATOM 988 CA ALA A 70 8.797 14.009 2.752 1.00 10.00 C ATOM 989 C ALA A 70 7.557 13.491 3.418 1.00 10.00 C ATOM 990 O ALA A 70 7.623 12.918 4.497 1.00 10.00 O ATOM 991 CB ALA A 70 9.240 15.286 3.361 1.00 10.00 C ATOM 0 H ALA A 70 8.562 15.080 0.967 1.00 10.00 H new ATOM 0 HA ALA A 70 9.568 13.259 2.926 1.00 10.00 H new ATOM 0 HB1 ALA A 70 9.323 15.165 4.441 1.00 10.00 H new ATOM 0 HB2 ALA A 70 10.210 15.567 2.952 1.00 10.00 H new ATOM 0 HB3 ALA A 70 8.513 16.067 3.139 1.00 10.00 H new ATOM 997 N ALA A 71 6.459 13.683 2.803 1.00 10.00 N ATOM 998 CA ALA A 71 5.222 13.169 3.302 1.00 10.00 C ATOM 999 C ALA A 71 5.223 11.691 3.094 1.00 10.00 C ATOM 1000 O ALA A 71 4.869 10.913 3.972 1.00 10.00 O ATOM 1001 CB ALA A 71 4.103 13.748 2.529 1.00 10.00 C ATOM 0 H ALA A 71 6.378 14.204 1.930 1.00 10.00 H new ATOM 0 HA ALA A 71 5.108 13.418 4.357 1.00 10.00 H new ATOM 0 HB1 ALA A 71 3.159 13.357 2.908 1.00 10.00 H new ATOM 0 HB2 ALA A 71 4.114 14.833 2.631 1.00 10.00 H new ATOM 0 HB3 ALA A 71 4.210 13.481 1.478 1.00 10.00 H new ATOM 1007 N VAL A 72 5.679 11.334 1.908 1.00 10.00 N ATOM 1008 CA VAL A 72 5.793 9.969 1.472 1.00 10.00 C ATOM 1009 C VAL A 72 6.732 9.267 2.410 1.00 10.00 C ATOM 1010 O VAL A 72 6.475 8.168 2.815 1.00 10.00 O ATOM 1011 CB VAL A 72 6.400 9.878 0.050 1.00 10.00 C ATOM 1012 CG1 VAL A 72 5.979 8.649 -0.631 1.00 10.00 C ATOM 1013 CG2 VAL A 72 6.064 11.045 -0.796 1.00 10.00 C ATOM 0 H VAL A 72 5.987 12.009 1.208 1.00 10.00 H new ATOM 0 HA VAL A 72 4.800 9.521 1.461 1.00 10.00 H new ATOM 0 HB VAL A 72 7.481 9.867 0.191 1.00 10.00 H new ATOM 0 HG11 VAL A 72 6.422 8.615 -1.627 1.00 10.00 H new ATOM 0 HG12 VAL A 72 6.310 7.783 -0.057 1.00 10.00 H new ATOM 0 HG13 VAL A 72 4.892 8.634 -0.716 1.00 10.00 H new ATOM 0 HG21 VAL A 72 6.517 10.924 -1.780 1.00 10.00 H new ATOM 0 HG22 VAL A 72 4.982 11.118 -0.902 1.00 10.00 H new ATOM 0 HG23 VAL A 72 6.445 11.954 -0.330 1.00 10.00 H new ATOM 1023 N ALA A 73 7.812 9.942 2.763 1.00 10.00 N ATOM 1024 CA ALA A 73 8.814 9.401 3.657 1.00 10.00 C ATOM 1025 C ALA A 73 8.354 9.342 5.105 1.00 10.00 C ATOM 1026 O ALA A 73 8.719 8.431 5.827 1.00 10.00 O ATOM 1027 CB ALA A 73 10.076 10.165 3.565 1.00 10.00 C ATOM 0 H ALA A 73 8.017 10.886 2.434 1.00 10.00 H new ATOM 0 HA ALA A 73 8.984 8.376 3.329 1.00 10.00 H new ATOM 0 HB1 ALA A 73 10.811 9.737 4.247 1.00 10.00 H new ATOM 0 HB2 ALA A 73 10.457 10.117 2.545 1.00 10.00 H new ATOM 0 HB3 ALA A 73 9.892 11.205 3.835 1.00 10.00 H new ATOM 1033 N GLU A 74 7.590 10.330 5.531 1.00 10.00 N ATOM 1034 CA GLU A 74 6.967 10.329 6.875 1.00 10.00 C ATOM 1035 C GLU A 74 6.093 9.091 6.972 1.00 10.00 C ATOM 1036 O GLU A 74 6.021 8.411 8.013 1.00 10.00 O ATOM 1037 CB GLU A 74 6.121 11.608 7.047 1.00 10.00 C ATOM 1038 CG GLU A 74 5.502 11.806 8.420 1.00 10.00 C ATOM 1039 CD GLU A 74 4.623 13.040 8.482 1.00 10.00 C ATOM 1040 OE1 GLU A 74 5.118 14.154 8.233 1.00 10.00 O ATOM 1041 OE2 GLU A 74 3.416 12.924 8.811 1.00 10.00 O ATOM 0 H GLU A 74 7.375 11.157 4.974 1.00 10.00 H new ATOM 0 HA GLU A 74 7.722 10.314 7.661 1.00 10.00 H new ATOM 0 HB2 GLU A 74 6.749 12.470 6.824 1.00 10.00 H new ATOM 0 HB3 GLU A 74 5.322 11.596 6.306 1.00 10.00 H new ATOM 0 HG2 GLU A 74 4.911 10.928 8.680 1.00 10.00 H new ATOM 0 HG3 GLU A 74 6.294 11.889 9.165 1.00 10.00 H new ATOM 1048 N VAL A 75 5.458 8.810 5.874 1.00 10.00 N ATOM 1049 CA VAL A 75 4.715 7.628 5.693 1.00 10.00 C ATOM 1050 C VAL A 75 5.663 6.408 5.647 1.00 10.00 C ATOM 1051 O VAL A 75 5.468 5.483 6.417 1.00 10.00 O ATOM 1052 CB VAL A 75 3.829 7.750 4.428 1.00 10.00 C ATOM 1053 CG1 VAL A 75 3.284 6.428 3.993 1.00 10.00 C ATOM 1054 CG2 VAL A 75 2.681 8.701 4.704 1.00 10.00 C ATOM 0 H VAL A 75 5.451 9.426 5.061 1.00 10.00 H new ATOM 0 HA VAL A 75 4.044 7.476 6.539 1.00 10.00 H new ATOM 0 HB VAL A 75 4.455 8.133 3.622 1.00 10.00 H new ATOM 0 HG11 VAL A 75 2.669 6.563 3.103 1.00 10.00 H new ATOM 0 HG12 VAL A 75 4.108 5.752 3.766 1.00 10.00 H new ATOM 0 HG13 VAL A 75 2.677 6.004 4.793 1.00 10.00 H new ATOM 0 HG21 VAL A 75 2.058 8.787 3.814 1.00 10.00 H new ATOM 0 HG22 VAL A 75 2.082 8.319 5.531 1.00 10.00 H new ATOM 0 HG23 VAL A 75 3.076 9.682 4.966 1.00 10.00 H new ATOM 1064 N MET A 76 6.700 6.431 4.767 1.00 10.00 N ATOM 1065 CA MET A 76 7.697 5.363 4.673 1.00 10.00 C ATOM 1066 C MET A 76 8.242 4.981 6.004 1.00 10.00 C ATOM 1067 O MET A 76 8.178 3.848 6.338 1.00 10.00 O ATOM 1068 CB MET A 76 8.862 5.731 3.750 1.00 10.00 C ATOM 1069 CG MET A 76 8.511 5.963 2.285 1.00 10.00 C ATOM 1070 SD MET A 76 8.242 4.490 1.266 1.00 10.00 S ATOM 1071 CE MET A 76 6.802 3.769 2.003 1.00 10.00 C ATOM 0 H MET A 76 6.856 7.195 4.110 1.00 10.00 H new ATOM 0 HA MET A 76 7.165 4.512 4.248 1.00 10.00 H new ATOM 0 HB2 MET A 76 9.334 6.634 4.137 1.00 10.00 H new ATOM 0 HB3 MET A 76 9.606 4.936 3.803 1.00 10.00 H new ATOM 0 HG2 MET A 76 7.609 6.573 2.244 1.00 10.00 H new ATOM 0 HG3 MET A 76 9.312 6.548 1.832 1.00 10.00 H new ATOM 0 HE1 MET A 76 6.224 3.249 1.239 1.00 10.00 H new ATOM 0 HE2 MET A 76 7.104 3.061 2.775 1.00 10.00 H new ATOM 0 HE3 MET A 76 6.190 4.553 2.449 1.00 10.00 H new ATOM 1081 N SER A 77 8.710 5.935 6.776 1.00 10.00 N ATOM 1082 CA SER A 77 9.267 5.662 8.094 1.00 10.00 C ATOM 1083 C SER A 77 8.246 4.928 8.957 1.00 10.00 C ATOM 1084 O SER A 77 8.552 3.885 9.533 1.00 10.00 O ATOM 1085 CB SER A 77 9.724 6.976 8.751 1.00 10.00 C ATOM 1086 OG SER A 77 10.372 6.753 9.992 1.00 10.00 O ATOM 0 H SER A 77 8.718 6.921 6.515 1.00 10.00 H new ATOM 0 HA SER A 77 10.138 5.015 7.992 1.00 10.00 H new ATOM 0 HB2 SER A 77 10.401 7.501 8.078 1.00 10.00 H new ATOM 0 HB3 SER A 77 8.861 7.624 8.904 1.00 10.00 H new ATOM 0 HG SER A 77 10.648 7.611 10.376 1.00 10.00 H new ATOM 1092 N HIS A 78 7.013 5.407 8.947 1.00 10.00 N ATOM 1093 CA HIS A 78 5.939 4.766 9.718 1.00 10.00 C ATOM 1094 C HIS A 78 5.655 3.324 9.209 1.00 10.00 C ATOM 1095 O HIS A 78 5.249 2.453 9.980 1.00 10.00 O ATOM 1096 CB HIS A 78 4.662 5.631 9.661 1.00 10.00 C ATOM 1097 CG HIS A 78 3.511 5.125 10.493 1.00 10.00 C ATOM 1098 ND1 HIS A 78 2.237 4.930 9.988 1.00 10.00 N ATOM 1099 CD2 HIS A 78 3.437 4.832 11.813 1.00 10.00 C ATOM 1100 CE1 HIS A 78 1.439 4.543 10.958 1.00 10.00 C ATOM 1101 NE2 HIS A 78 2.141 4.473 12.076 1.00 10.00 N ATOM 0 H HIS A 78 6.723 6.231 8.420 1.00 10.00 H new ATOM 0 HA HIS A 78 6.265 4.685 10.755 1.00 10.00 H new ATOM 0 HB2 HIS A 78 4.911 6.641 9.988 1.00 10.00 H new ATOM 0 HB3 HIS A 78 4.336 5.703 8.623 1.00 10.00 H new ATOM 0 HD1 HIS A 78 1.961 5.065 9.015 1.00 10.00 H new ATOM 0 HD2 HIS A 78 4.248 4.874 12.525 1.00 10.00 H new ATOM 0 HE1 HIS A 78 0.387 4.320 10.858 1.00 10.00 H new ATOM 1110 N ILE A 79 5.892 3.091 7.925 1.00 10.00 N ATOM 1111 CA ILE A 79 5.623 1.789 7.294 1.00 10.00 C ATOM 1112 C ILE A 79 6.844 0.870 7.340 1.00 10.00 C ATOM 1113 O ILE A 79 6.708 -0.368 7.399 1.00 10.00 O ATOM 1114 CB ILE A 79 5.198 1.936 5.801 1.00 10.00 C ATOM 1115 CG1 ILE A 79 4.126 2.971 5.603 1.00 10.00 C ATOM 1116 CG2 ILE A 79 4.704 0.637 5.285 1.00 10.00 C ATOM 1117 CD1 ILE A 79 3.598 3.040 4.174 1.00 10.00 C ATOM 0 H ILE A 79 6.274 3.790 7.287 1.00 10.00 H new ATOM 0 HA ILE A 79 4.806 1.353 7.869 1.00 10.00 H new ATOM 0 HB ILE A 79 6.084 2.259 5.254 1.00 10.00 H new ATOM 0 HG12 ILE A 79 3.297 2.756 6.277 1.00 10.00 H new ATOM 0 HG13 ILE A 79 4.520 3.948 5.883 1.00 10.00 H new ATOM 0 HG21 ILE A 79 4.409 0.748 4.242 1.00 10.00 H new ATOM 0 HG22 ILE A 79 5.495 -0.109 5.361 1.00 10.00 H new ATOM 0 HG23 ILE A 79 3.844 0.315 5.873 1.00 10.00 H new ATOM 0 HD11 ILE A 79 2.828 3.809 4.107 1.00 10.00 H new ATOM 0 HD12 ILE A 79 4.415 3.285 3.496 1.00 10.00 H new ATOM 0 HD13 ILE A 79 3.173 2.075 3.896 1.00 10.00 H new ATOM 1129 N GLN A 80 8.023 1.452 7.287 1.00 10.00 N ATOM 1130 CA GLN A 80 9.257 0.687 7.238 1.00 10.00 C ATOM 1131 C GLN A 80 9.601 0.059 8.575 1.00 10.00 C ATOM 1132 O GLN A 80 10.555 -0.681 8.705 1.00 10.00 O ATOM 1133 CB GLN A 80 10.409 1.481 6.598 1.00 10.00 C ATOM 1134 CG GLN A 80 10.117 1.899 5.136 1.00 10.00 C ATOM 1135 CD GLN A 80 9.541 0.793 4.347 1.00 10.00 C ATOM 1136 OE1 GLN A 80 8.251 0.775 4.284 1.00 10.00 O flip ATOM 1137 NE2 GLN A 80 10.244 -0.015 3.766 1.00 10.00 N flip ATOM 0 H GLN A 80 8.156 2.463 7.277 1.00 10.00 H new ATOM 0 HA GLN A 80 9.088 -0.156 6.568 1.00 10.00 H new ATOM 0 HB2 GLN A 80 10.603 2.373 7.193 1.00 10.00 H new ATOM 0 HB3 GLN A 80 11.317 0.878 6.623 1.00 10.00 H new ATOM 0 HG2 GLN A 80 9.428 2.744 5.132 1.00 10.00 H new ATOM 0 HG3 GLN A 80 11.040 2.238 4.665 1.00 10.00 H new ATOM 0 HE21 GLN A 80 11.259 0.041 3.847 1.00 10.00 H new ATOM 0 HE22 GLN A 80 9.817 -0.747 3.199 1.00 10.00 H new ATOM 1146 N ARG A 81 8.778 0.358 9.556 1.00 10.00 N ATOM 1147 CA ARG A 81 8.773 -0.342 10.836 1.00 10.00 C ATOM 1148 C ARG A 81 7.903 -1.624 10.725 1.00 10.00 C ATOM 1149 O ARG A 81 7.324 -2.070 11.707 1.00 10.00 O ATOM 1150 CB ARG A 81 8.226 0.576 11.938 1.00 10.00 C ATOM 1151 CG ARG A 81 9.253 1.490 12.611 1.00 10.00 C ATOM 1152 CD ARG A 81 10.049 2.330 11.634 1.00 10.00 C ATOM 1153 NE ARG A 81 10.885 3.309 12.324 1.00 10.00 N ATOM 1154 CZ ARG A 81 11.814 4.096 11.760 1.00 10.00 C ATOM 1155 NH1 ARG A 81 12.148 3.957 10.472 1.00 10.00 N ATOM 1156 NH2 ARG A 81 12.406 5.023 12.499 1.00 10.00 N ATOM 0 H ARG A 81 8.083 1.102 9.493 1.00 10.00 H new ATOM 0 HA ARG A 81 9.794 -0.624 11.094 1.00 10.00 H new ATOM 0 HB2 ARG A 81 7.439 1.197 11.510 1.00 10.00 H new ATOM 0 HB3 ARG A 81 7.761 -0.044 12.705 1.00 10.00 H new ATOM 0 HG2 ARG A 81 8.738 2.150 13.309 1.00 10.00 H new ATOM 0 HG3 ARG A 81 9.940 0.880 13.197 1.00 10.00 H new ATOM 0 HD2 ARG A 81 10.676 1.681 11.023 1.00 10.00 H new ATOM 0 HD3 ARG A 81 9.368 2.845 10.957 1.00 10.00 H new ATOM 0 HE ARG A 81 10.750 3.403 13.331 1.00 10.00 H new ATOM 0 HH11 ARG A 81 11.694 3.244 9.902 1.00 10.00 H new ATOM 0 HH12 ARG A 81 12.857 4.564 10.060 1.00 10.00 H new ATOM 0 HH21 ARG A 81 12.153 5.130 13.481 1.00 10.00 H new ATOM 0 HH22 ARG A 81 13.114 5.629 12.085 1.00 10.00 H new ATOM 1170 N ASP A 82 7.808 -2.148 9.477 1.00 10.00 N ATOM 1171 CA ASP A 82 7.135 -3.423 9.078 1.00 10.00 C ATOM 1172 C ASP A 82 6.843 -4.457 10.139 1.00 10.00 C ATOM 1173 O ASP A 82 7.646 -4.763 11.036 1.00 10.00 O ATOM 1174 CB ASP A 82 7.703 -4.018 7.779 1.00 10.00 C ATOM 1175 CG ASP A 82 7.448 -5.516 7.549 1.00 10.00 C ATOM 1176 OD1 ASP A 82 6.274 -5.902 7.383 1.00 10.00 O ATOM 1177 OD2 ASP A 82 8.399 -6.281 7.515 1.00 10.00 O ATOM 0 H ASP A 82 8.219 -1.671 8.674 1.00 10.00 H new ATOM 0 HA ASP A 82 6.124 -3.069 8.877 1.00 10.00 H new ATOM 0 HB2 ASP A 82 7.284 -3.466 6.938 1.00 10.00 H new ATOM 0 HB3 ASP A 82 8.780 -3.848 7.767 1.00 10.00 H new ATOM 1182 N ARG A 83 5.686 -5.043 9.916 1.00 10.00 N ATOM 1183 CA ARG A 83 4.919 -5.836 10.838 1.00 10.00 C ATOM 1184 C ARG A 83 3.586 -6.145 10.149 1.00 10.00 C ATOM 1185 O ARG A 83 3.022 -7.215 10.293 1.00 10.00 O ATOM 1186 CB ARG A 83 4.684 -5.020 12.137 1.00 10.00 C ATOM 1187 CG ARG A 83 4.315 -3.548 11.886 1.00 10.00 C ATOM 1188 CD ARG A 83 4.205 -2.757 13.186 1.00 10.00 C ATOM 1189 NE ARG A 83 2.968 -3.039 13.918 1.00 10.00 N ATOM 1190 CZ ARG A 83 2.850 -3.699 15.075 1.00 10.00 C ATOM 1191 NH1 ARG A 83 3.910 -4.235 15.676 1.00 10.00 N ATOM 1192 NH2 ARG A 83 1.660 -3.787 15.635 1.00 10.00 N ATOM 0 H ARG A 83 5.225 -4.967 9.009 1.00 10.00 H new ATOM 0 HA ARG A 83 5.433 -6.759 11.106 1.00 10.00 H new ATOM 0 HB2 ARG A 83 3.887 -5.492 12.712 1.00 10.00 H new ATOM 0 HB3 ARG A 83 5.585 -5.060 12.748 1.00 10.00 H new ATOM 0 HG2 ARG A 83 5.068 -3.090 11.245 1.00 10.00 H new ATOM 0 HG3 ARG A 83 3.367 -3.498 11.350 1.00 10.00 H new ATOM 0 HD2 ARG A 83 5.059 -2.990 13.822 1.00 10.00 H new ATOM 0 HD3 ARG A 83 4.255 -1.691 12.963 1.00 10.00 H new ATOM 0 HE ARG A 83 2.103 -2.695 13.500 1.00 10.00 H new ATOM 0 HH11 ARG A 83 4.834 -4.146 15.254 1.00 10.00 H new ATOM 0 HH12 ARG A 83 3.798 -4.734 16.558 1.00 10.00 H new ATOM 0 HH21 ARG A 83 0.852 -3.356 15.186 1.00 10.00 H new ATOM 0 HH22 ARG A 83 1.547 -4.286 16.518 1.00 10.00 H new ATOM 1206 N ARG A 84 3.129 -5.175 9.343 1.00 10.00 N ATOM 1207 CA ARG A 84 1.853 -5.257 8.623 1.00 10.00 C ATOM 1208 C ARG A 84 1.995 -5.838 7.223 1.00 10.00 C ATOM 1209 O ARG A 84 1.090 -5.741 6.417 1.00 10.00 O ATOM 1210 CB ARG A 84 1.252 -3.885 8.456 1.00 10.00 C ATOM 1211 CG ARG A 84 0.818 -3.173 9.721 1.00 10.00 C ATOM 1212 CD ARG A 84 -0.144 -4.020 10.501 1.00 10.00 C ATOM 1213 NE ARG A 84 -0.879 -3.264 11.502 1.00 10.00 N ATOM 1214 CZ ARG A 84 -1.731 -3.815 12.337 1.00 10.00 C ATOM 1215 NH1 ARG A 84 -1.681 -5.113 12.540 1.00 10.00 N ATOM 1216 NH2 ARG A 84 -2.573 -3.061 13.022 1.00 10.00 N ATOM 0 H ARG A 84 3.638 -4.308 9.173 1.00 10.00 H new ATOM 0 HA ARG A 84 1.223 -5.910 9.226 1.00 10.00 H new ATOM 0 HB2 ARG A 84 1.979 -3.255 7.944 1.00 10.00 H new ATOM 0 HB3 ARG A 84 0.386 -3.971 7.800 1.00 10.00 H new ATOM 0 HG2 ARG A 84 1.690 -2.946 10.334 1.00 10.00 H new ATOM 0 HG3 ARG A 84 0.350 -2.222 9.467 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -0.850 -4.486 9.814 1.00 10.00 H new ATOM 0 HD3 ARG A 84 0.403 -4.826 10.991 1.00 10.00 H new ATOM 0 HE ARG A 84 -0.726 -2.257 11.559 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -0.987 -5.679 12.052 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -2.336 -5.554 13.185 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -2.563 -2.048 12.903 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -3.233 -3.492 13.669 1.00 10.00 H new ATOM 1230 N HIS A 85 3.101 -6.411 6.930 1.00 10.00 N ATOM 1231 CA HIS A 85 3.381 -6.951 5.648 1.00 10.00 C ATOM 1232 C HIS A 85 4.499 -7.896 5.795 1.00 10.00 C ATOM 1233 O HIS A 85 4.770 -8.313 6.898 1.00 10.00 O ATOM 1234 CB HIS A 85 3.594 -5.891 4.504 1.00 10.00 C ATOM 1235 CG HIS A 85 4.113 -4.526 4.866 1.00 10.00 C ATOM 1236 ND1 HIS A 85 4.904 -4.087 5.857 1.00 10.00 N flip ATOM 1237 CD2 HIS A 85 3.813 -3.418 4.133 1.00 10.00 C flip ATOM 1238 CE1 HIS A 85 5.046 -2.776 5.713 1.00 10.00 C flip ATOM 1239 NE2 HIS A 85 4.395 -2.400 4.666 1.00 10.00 N flip ATOM 0 H HIS A 85 3.865 -6.523 7.597 1.00 10.00 H new ATOM 0 HA HIS A 85 2.492 -7.475 5.296 1.00 10.00 H new ATOM 0 HB2 HIS A 85 4.282 -6.323 3.778 1.00 10.00 H new ATOM 0 HB3 HIS A 85 2.639 -5.757 3.997 1.00 10.00 H new ATOM 0 HD1 HIS A 85 5.322 -4.660 6.591 1.00 10.00 H new ATOM 0 HD2 HIS A 85 3.190 -3.397 3.251 1.00 10.00 H new ATOM 0 HE1 HIS A 85 5.614 -2.130 6.366 1.00 10.00 H new ATOM 1248 N SER A 86 5.113 -8.302 4.737 1.00 10.00 N ATOM 1249 CA SER A 86 6.111 -9.303 4.914 1.00 10.00 C ATOM 1250 C SER A 86 7.517 -8.816 4.679 1.00 10.00 C ATOM 1251 O SER A 86 8.464 -9.559 4.919 1.00 10.00 O ATOM 1252 CB SER A 86 5.796 -10.436 4.017 1.00 10.00 C ATOM 1253 OG SER A 86 6.304 -11.681 4.490 1.00 10.00 O ATOM 0 H SER A 86 4.955 -7.977 3.783 1.00 10.00 H new ATOM 0 HA SER A 86 6.088 -9.610 5.960 1.00 10.00 H new ATOM 0 HB2 SER A 86 4.715 -10.511 3.903 1.00 10.00 H new ATOM 0 HB3 SER A 86 6.208 -10.234 3.028 1.00 10.00 H new ATOM 0 HG SER A 86 7.213 -11.554 4.833 1.00 10.00 H new ATOM 1259 N ASN A 87 7.679 -7.572 4.270 1.00 10.00 N ATOM 1260 CA ASN A 87 9.038 -7.160 3.852 1.00 10.00 C ATOM 1261 C ASN A 87 9.182 -5.699 3.612 1.00 10.00 C ATOM 1262 O ASN A 87 10.082 -5.040 4.118 1.00 10.00 O ATOM 1263 CB ASN A 87 9.468 -7.917 2.586 1.00 10.00 C ATOM 1264 CG ASN A 87 10.874 -8.425 2.664 1.00 10.00 C ATOM 1265 OD1 ASN A 87 11.822 -7.717 2.373 1.00 10.00 O ATOM 1266 ND2 ASN A 87 11.015 -9.674 3.008 1.00 10.00 N ATOM 0 H ASN A 87 6.952 -6.859 4.213 1.00 10.00 H new ATOM 0 HA ASN A 87 9.685 -7.412 4.692 1.00 10.00 H new ATOM 0 HB2 ASN A 87 8.792 -8.756 2.423 1.00 10.00 H new ATOM 0 HB3 ASN A 87 9.372 -7.258 1.723 1.00 10.00 H new ATOM 0 HD21 ASN A 87 11.945 -10.092 3.041 1.00 10.00 H new ATOM 0 HD22 ASN A 87 10.196 -10.233 3.245 1.00 10.00 H new ATOM 1273 N VAL A 88 8.260 -5.241 2.883 1.00 10.00 N ATOM 1274 CA VAL A 88 8.172 -3.937 2.325 1.00 10.00 C ATOM 1275 C VAL A 88 9.403 -3.403 1.681 1.00 10.00 C ATOM 1276 O VAL A 88 10.245 -2.739 2.277 1.00 10.00 O ATOM 1277 CB VAL A 88 7.374 -2.947 3.140 1.00 10.00 C ATOM 1278 CG1 VAL A 88 7.951 -2.674 4.462 1.00 10.00 C ATOM 1279 CG2 VAL A 88 7.089 -1.684 2.408 1.00 10.00 C ATOM 0 H VAL A 88 7.458 -5.816 2.626 1.00 10.00 H new ATOM 0 HA VAL A 88 7.542 -4.106 1.452 1.00 10.00 H new ATOM 0 HB VAL A 88 6.419 -3.444 3.312 1.00 10.00 H new ATOM 0 HG11 VAL A 88 7.325 -1.955 4.991 1.00 10.00 H new ATOM 0 HG12 VAL A 88 8.003 -3.600 5.035 1.00 10.00 H new ATOM 0 HG13 VAL A 88 8.954 -2.264 4.344 1.00 10.00 H new ATOM 0 HG21 VAL A 88 6.513 -1.015 3.047 1.00 10.00 H new ATOM 0 HG22 VAL A 88 8.028 -1.204 2.132 1.00 10.00 H new ATOM 0 HG23 VAL A 88 6.517 -1.907 1.507 1.00 10.00 H new ATOM 1289 N GLU A 89 9.496 -3.728 0.459 1.00 10.00 N ATOM 1290 CA GLU A 89 10.562 -3.321 -0.350 1.00 10.00 C ATOM 1291 C GLU A 89 10.035 -2.309 -1.305 1.00 10.00 C ATOM 1292 O GLU A 89 9.387 -2.666 -2.296 1.00 10.00 O ATOM 1293 CB GLU A 89 11.105 -4.511 -1.081 1.00 10.00 C ATOM 1294 CG GLU A 89 11.405 -5.626 -0.153 1.00 10.00 C ATOM 1295 CD GLU A 89 11.654 -6.916 -0.846 1.00 10.00 C ATOM 1296 OE1 GLU A 89 12.761 -7.126 -1.354 1.00 10.00 O ATOM 1297 OE2 GLU A 89 10.724 -7.734 -0.946 1.00 10.00 O ATOM 0 H GLU A 89 8.807 -4.306 -0.023 1.00 10.00 H new ATOM 0 HA GLU A 89 11.369 -2.887 0.240 1.00 10.00 H new ATOM 0 HB2 GLU A 89 10.383 -4.842 -1.828 1.00 10.00 H new ATOM 0 HB3 GLU A 89 12.011 -4.228 -1.617 1.00 10.00 H new ATOM 0 HG2 GLU A 89 12.280 -5.367 0.444 1.00 10.00 H new ATOM 0 HG3 GLU A 89 10.572 -5.748 0.539 1.00 10.00 H new ATOM 1304 N ILE A 90 10.129 -1.062 -0.878 1.00 10.00 N ATOM 1305 CA ILE A 90 9.839 0.113 -1.696 1.00 10.00 C ATOM 1306 C ILE A 90 10.449 -0.123 -3.038 1.00 10.00 C ATOM 1307 O ILE A 90 9.758 -0.381 -3.984 1.00 10.00 O ATOM 1308 CB ILE A 90 10.409 1.419 -1.045 1.00 10.00 C ATOM 1309 CG1 ILE A 90 10.295 1.370 0.475 1.00 10.00 C ATOM 1310 CG2 ILE A 90 9.672 2.669 -1.540 1.00 10.00 C ATOM 1311 CD1 ILE A 90 8.895 1.160 0.964 1.00 10.00 C ATOM 0 H ILE A 90 10.417 -0.827 0.072 1.00 10.00 H new ATOM 0 HA ILE A 90 8.762 0.256 -1.781 1.00 10.00 H new ATOM 0 HB ILE A 90 11.457 1.477 -1.339 1.00 10.00 H new ATOM 0 HG12 ILE A 90 10.927 0.567 0.853 1.00 10.00 H new ATOM 0 HG13 ILE A 90 10.680 2.301 0.890 1.00 10.00 H new ATOM 0 HG21 ILE A 90 10.097 3.554 -1.065 1.00 10.00 H new ATOM 0 HG22 ILE A 90 9.780 2.750 -2.622 1.00 10.00 H new ATOM 0 HG23 ILE A 90 8.615 2.593 -1.285 1.00 10.00 H new ATOM 0 HD11 ILE A 90 8.890 1.136 2.054 1.00 10.00 H new ATOM 0 HD12 ILE A 90 8.262 1.976 0.616 1.00 10.00 H new ATOM 0 HD13 ILE A 90 8.513 0.215 0.578 1.00 10.00 H new ATOM 1323 N LEU A 91 11.737 -0.099 -3.082 1.00 10.00 N ATOM 1324 CA LEU A 91 12.551 -0.444 -4.255 1.00 10.00 C ATOM 1325 C LEU A 91 12.463 0.606 -5.361 1.00 10.00 C ATOM 1326 O LEU A 91 13.434 0.828 -6.098 1.00 10.00 O ATOM 1327 CB LEU A 91 12.201 -1.846 -4.816 1.00 10.00 C ATOM 1328 CG LEU A 91 12.422 -3.050 -3.888 1.00 10.00 C ATOM 1329 CD1 LEU A 91 11.954 -4.317 -4.570 1.00 10.00 C ATOM 1330 CD2 LEU A 91 13.886 -3.180 -3.514 1.00 10.00 C ATOM 0 H LEU A 91 12.302 0.171 -2.277 1.00 10.00 H new ATOM 0 HA LEU A 91 13.582 -0.466 -3.901 1.00 10.00 H new ATOM 0 HB2 LEU A 91 11.153 -1.838 -5.115 1.00 10.00 H new ATOM 0 HB3 LEU A 91 12.789 -2.004 -5.720 1.00 10.00 H new ATOM 0 HG LEU A 91 11.845 -2.893 -2.977 1.00 10.00 H new ATOM 0 HD11 LEU A 91 12.113 -5.167 -3.907 1.00 10.00 H new ATOM 0 HD12 LEU A 91 10.893 -4.233 -4.804 1.00 10.00 H new ATOM 0 HD13 LEU A 91 12.518 -4.464 -5.491 1.00 10.00 H new ATOM 0 HD21 LEU A 91 14.019 -4.039 -2.857 1.00 10.00 H new ATOM 0 HD22 LEU A 91 14.481 -3.318 -4.417 1.00 10.00 H new ATOM 0 HD23 LEU A 91 14.212 -2.276 -3.000 1.00 10.00 H new ATOM 1342 N ALA A 92 11.325 1.249 -5.468 1.00 10.00 N ATOM 1343 CA ALA A 92 11.094 2.229 -6.501 1.00 10.00 C ATOM 1344 C ALA A 92 10.544 3.496 -5.915 1.00 10.00 C ATOM 1345 O ALA A 92 9.472 3.489 -5.313 1.00 10.00 O ATOM 1346 CB ALA A 92 10.110 1.690 -7.515 1.00 10.00 C ATOM 0 H ALA A 92 10.533 1.107 -4.841 1.00 10.00 H new ATOM 0 HA ALA A 92 12.047 2.442 -6.986 1.00 10.00 H new ATOM 0 HB1 ALA A 92 9.942 2.437 -8.291 1.00 10.00 H new ATOM 0 HB2 ALA A 92 10.512 0.783 -7.966 1.00 10.00 H new ATOM 0 HB3 ALA A 92 9.166 1.462 -7.020 1.00 10.00 H new ATOM 1352 N GLU A 93 11.271 4.565 -6.066 1.00 10.00 N ATOM 1353 CA GLU A 93 10.834 5.869 -5.636 1.00 10.00 C ATOM 1354 C GLU A 93 11.173 6.847 -6.739 1.00 10.00 C ATOM 1355 O GLU A 93 12.339 7.091 -7.022 1.00 10.00 O ATOM 1356 CB GLU A 93 11.499 6.277 -4.312 1.00 10.00 C ATOM 1357 CG GLU A 93 11.226 5.338 -3.182 1.00 10.00 C ATOM 1358 CD GLU A 93 11.940 5.706 -1.917 1.00 10.00 C ATOM 1359 OE1 GLU A 93 11.505 6.669 -1.211 1.00 10.00 O ATOM 1360 OE2 GLU A 93 12.957 5.049 -1.598 1.00 10.00 O ATOM 0 H GLU A 93 12.196 4.560 -6.496 1.00 10.00 H new ATOM 0 HA GLU A 93 9.760 5.861 -5.450 1.00 10.00 H new ATOM 0 HB2 GLU A 93 12.576 6.344 -4.464 1.00 10.00 H new ATOM 0 HB3 GLU A 93 11.154 7.273 -4.035 1.00 10.00 H new ATOM 0 HG2 GLU A 93 10.153 5.313 -2.991 1.00 10.00 H new ATOM 0 HG3 GLU A 93 11.521 4.331 -3.477 1.00 10.00 H new ATOM 1367 N GLU A 94 10.159 7.353 -7.384 1.00 10.00 N ATOM 1368 CA GLU A 94 10.336 8.243 -8.514 1.00 10.00 C ATOM 1369 C GLU A 94 9.735 9.613 -8.254 1.00 10.00 C ATOM 1370 O GLU A 94 8.723 9.725 -7.568 1.00 10.00 O ATOM 1371 CB GLU A 94 9.729 7.627 -9.787 1.00 10.00 C ATOM 1372 CG GLU A 94 8.300 7.110 -9.636 1.00 10.00 C ATOM 1373 CD GLU A 94 7.707 6.655 -10.952 1.00 10.00 C ATOM 1374 OE1 GLU A 94 8.035 5.540 -11.406 1.00 10.00 O ATOM 1375 OE2 GLU A 94 6.889 7.390 -11.558 1.00 10.00 O ATOM 0 H GLU A 94 9.185 7.165 -7.147 1.00 10.00 H new ATOM 0 HA GLU A 94 11.408 8.375 -8.659 1.00 10.00 H new ATOM 0 HB2 GLU A 94 9.747 8.376 -10.579 1.00 10.00 H new ATOM 0 HB3 GLU A 94 10.365 6.804 -10.113 1.00 10.00 H new ATOM 0 HG2 GLU A 94 8.290 6.280 -8.930 1.00 10.00 H new ATOM 0 HG3 GLU A 94 7.675 7.896 -9.212 1.00 10.00 H new ATOM 1382 N SER A 95 10.361 10.648 -8.784 1.00 10.00 N ATOM 1383 CA SER A 95 9.853 11.994 -8.661 1.00 10.00 C ATOM 1384 C SER A 95 8.731 12.193 -9.656 1.00 10.00 C ATOM 1385 O SER A 95 8.937 12.110 -10.871 1.00 10.00 O ATOM 1386 CB SER A 95 10.987 13.004 -8.874 1.00 10.00 C ATOM 1387 OG SER A 95 11.721 12.711 -10.071 1.00 10.00 O ATOM 0 H SER A 95 11.232 10.575 -9.309 1.00 10.00 H new ATOM 0 HA SER A 95 9.456 12.155 -7.659 1.00 10.00 H new ATOM 0 HB2 SER A 95 10.575 14.011 -8.934 1.00 10.00 H new ATOM 0 HB3 SER A 95 11.660 12.986 -8.017 1.00 10.00 H new ATOM 0 HG SER A 95 11.101 12.424 -10.773 1.00 10.00 H new ATOM 1393 N ILE A 96 7.555 12.412 -9.154 1.00 10.00 N ATOM 1394 CA ILE A 96 6.381 12.516 -9.998 1.00 10.00 C ATOM 1395 C ILE A 96 5.709 13.877 -9.991 1.00 10.00 C ATOM 1396 O ILE A 96 6.084 14.784 -9.249 1.00 10.00 O ATOM 1397 CB ILE A 96 5.335 11.501 -9.620 1.00 10.00 C ATOM 1398 CG1 ILE A 96 4.919 11.714 -8.193 1.00 10.00 C ATOM 1399 CG2 ILE A 96 5.886 10.108 -9.844 1.00 10.00 C ATOM 1400 CD1 ILE A 96 3.606 11.170 -7.824 1.00 10.00 C ATOM 0 H ILE A 96 7.371 12.525 -8.157 1.00 10.00 H new ATOM 0 HA ILE A 96 6.772 12.336 -10.999 1.00 10.00 H new ATOM 0 HB ILE A 96 4.450 11.619 -10.245 1.00 10.00 H new ATOM 0 HG12 ILE A 96 5.672 11.267 -7.544 1.00 10.00 H new ATOM 0 HG13 ILE A 96 4.918 12.785 -7.990 1.00 10.00 H new ATOM 0 HG21 ILE A 96 5.131 9.370 -9.571 1.00 10.00 H new ATOM 0 HG22 ILE A 96 6.150 9.986 -10.894 1.00 10.00 H new ATOM 0 HG23 ILE A 96 6.773 9.964 -9.228 1.00 10.00 H new ATOM 0 HD11 ILE A 96 3.407 11.380 -6.773 1.00 10.00 H new ATOM 0 HD12 ILE A 96 2.834 11.633 -8.439 1.00 10.00 H new ATOM 0 HD13 ILE A 96 3.600 10.092 -7.986 1.00 10.00 H new ATOM 1412 N ALA A 97 4.681 13.989 -10.824 1.00 10.00 N ATOM 1413 CA ALA A 97 3.861 15.187 -10.899 1.00 10.00 C ATOM 1414 C ALA A 97 2.515 14.921 -10.318 1.00 10.00 C ATOM 1415 O ALA A 97 1.662 15.812 -10.196 1.00 10.00 O ATOM 1416 CB ALA A 97 3.728 15.667 -12.301 1.00 10.00 C ATOM 0 H ALA A 97 4.394 13.250 -11.466 1.00 10.00 H new ATOM 0 HA ALA A 97 4.354 15.970 -10.323 1.00 10.00 H new ATOM 0 HB1 ALA A 97 3.109 16.564 -12.321 1.00 10.00 H new ATOM 0 HB2 ALA A 97 4.715 15.898 -12.702 1.00 10.00 H new ATOM 0 HB3 ALA A 97 3.262 14.891 -12.909 1.00 10.00 H new ATOM 1422 N LYS A 98 2.379 13.702 -9.930 1.00 10.00 N ATOM 1423 CA LYS A 98 1.241 13.131 -9.340 1.00 10.00 C ATOM 1424 C LYS A 98 -0.007 13.351 -10.192 1.00 10.00 C ATOM 1425 O LYS A 98 0.095 13.539 -11.413 1.00 10.00 O ATOM 1426 CB LYS A 98 1.191 13.737 -7.980 1.00 10.00 C ATOM 1427 CG LYS A 98 0.430 13.021 -6.966 1.00 10.00 C ATOM 1428 CD LYS A 98 -0.715 13.795 -6.442 1.00 10.00 C ATOM 1429 CE LYS A 98 -0.293 14.525 -5.248 1.00 10.00 C ATOM 1430 NZ LYS A 98 -1.413 15.245 -4.572 1.00 10.00 N ATOM 0 H LYS A 98 3.136 13.026 -10.031 1.00 10.00 H new ATOM 0 HA LYS A 98 1.286 12.044 -9.266 1.00 10.00 H new ATOM 0 HB2 LYS A 98 2.214 13.848 -7.621 1.00 10.00 H new ATOM 0 HB3 LYS A 98 0.774 14.740 -8.071 1.00 10.00 H new ATOM 0 HG2 LYS A 98 0.064 12.085 -7.389 1.00 10.00 H new ATOM 0 HG3 LYS A 98 1.092 12.761 -6.140 1.00 10.00 H new ATOM 0 HD2 LYS A 98 -1.077 14.490 -7.199 1.00 10.00 H new ATOM 0 HD3 LYS A 98 -1.542 13.127 -6.201 1.00 10.00 H new ATOM 0 HE2 LYS A 98 0.159 13.826 -4.544 1.00 10.00 H new ATOM 0 HE3 LYS A 98 0.479 15.244 -5.523 1.00 10.00 H new ATOM 0 HZ1 LYS A 98 -1.162 16.248 -4.458 1.00 10.00 H new ATOM 0 HZ2 LYS A 98 -2.275 15.167 -5.149 1.00 10.00 H new ATOM 0 HZ3 LYS A 98 -1.583 14.822 -3.637 1.00 10.00 H new ATOM 1444 N ARG A 99 -1.148 13.198 -9.567 1.00 10.00 N ATOM 1445 CA ARG A 99 -2.442 13.501 -10.138 1.00 10.00 C ATOM 1446 C ARG A 99 -2.949 12.344 -10.997 1.00 10.00 C ATOM 1447 O ARG A 99 -3.753 12.519 -11.911 1.00 10.00 O ATOM 1448 CB ARG A 99 -2.414 14.876 -10.879 1.00 10.00 C ATOM 1449 CG ARG A 99 -3.768 15.451 -11.251 1.00 10.00 C ATOM 1450 CD ARG A 99 -4.579 15.774 -10.012 1.00 10.00 C ATOM 1451 NE ARG A 99 -5.909 16.263 -10.343 1.00 10.00 N ATOM 1452 CZ ARG A 99 -6.673 17.023 -9.549 1.00 10.00 C ATOM 1453 NH1 ARG A 99 -6.218 17.448 -8.363 1.00 10.00 N ATOM 1454 NH2 ARG A 99 -7.882 17.369 -9.946 1.00 10.00 N ATOM 0 H ARG A 99 -1.206 12.846 -8.611 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.170 13.610 -9.334 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -1.894 15.597 -10.248 1.00 10.00 H new ATOM 0 HB3 ARG A 99 -1.824 14.765 -11.789 1.00 10.00 H new ATOM 0 HG2 ARG A 99 -3.633 16.353 -11.847 1.00 10.00 H new ATOM 0 HG3 ARG A 99 -4.312 14.738 -11.871 1.00 10.00 H new ATOM 0 HD2 ARG A 99 -4.665 14.882 -9.392 1.00 10.00 H new ATOM 0 HD3 ARG A 99 -4.054 16.524 -9.420 1.00 10.00 H new ATOM 0 HE ARG A 99 -6.290 16.006 -11.254 1.00 10.00 H new ATOM 0 HH11 ARG A 99 -5.279 17.193 -8.056 1.00 10.00 H new ATOM 0 HH12 ARG A 99 -6.810 18.027 -7.767 1.00 10.00 H new ATOM 0 HH21 ARG A 99 -8.230 17.058 -10.853 1.00 10.00 H new ATOM 0 HH22 ARG A 99 -8.470 17.948 -9.346 1.00 10.00 H new ATOM 1468 N ARG A 100 -2.536 11.154 -10.649 1.00 10.00 N ATOM 1469 CA ARG A 100 -2.986 9.990 -11.365 1.00 10.00 C ATOM 1470 C ARG A 100 -4.223 9.413 -10.707 1.00 10.00 C ATOM 1471 O ARG A 100 -5.261 9.252 -11.345 1.00 10.00 O ATOM 1472 CB ARG A 100 -1.918 8.945 -11.383 1.00 10.00 C ATOM 1473 CG ARG A 100 -0.600 9.414 -11.930 1.00 10.00 C ATOM 1474 CD ARG A 100 0.410 8.311 -11.718 1.00 10.00 C ATOM 1475 NE ARG A 100 1.767 8.611 -12.170 1.00 10.00 N ATOM 1476 CZ ARG A 100 2.833 8.448 -11.383 1.00 10.00 C ATOM 1477 NH1 ARG A 100 2.690 8.582 -10.057 1.00 10.00 N ATOM 1478 NH2 ARG A 100 4.046 8.299 -11.916 1.00 10.00 N ATOM 0 H ARG A 100 -1.893 10.966 -9.880 1.00 10.00 H new ATOM 0 HA ARG A 100 -3.220 10.291 -12.386 1.00 10.00 H new ATOM 0 HB2 ARG A 100 -1.767 8.580 -10.367 1.00 10.00 H new ATOM 0 HB3 ARG A 100 -2.264 8.099 -11.977 1.00 10.00 H new ATOM 0 HG2 ARG A 100 -0.689 9.651 -12.990 1.00 10.00 H new ATOM 0 HG3 ARG A 100 -0.280 10.326 -11.426 1.00 10.00 H new ATOM 0 HD2 ARG A 100 0.444 8.071 -10.655 1.00 10.00 H new ATOM 0 HD3 ARG A 100 0.062 7.417 -12.236 1.00 10.00 H new ATOM 0 HE ARG A 100 1.904 8.957 -13.120 1.00 10.00 H new ATOM 0 HH11 ARG A 100 1.776 8.805 -9.663 1.00 10.00 H new ATOM 0 HH12 ARG A 100 3.495 8.460 -9.442 1.00 10.00 H new ATOM 0 HH21 ARG A 100 4.163 8.309 -12.929 1.00 10.00 H new ATOM 0 HH22 ARG A 100 4.857 8.175 -11.310 1.00 10.00 H new ATOM 1492 N PHE A 101 -4.127 9.098 -9.425 1.00 10.00 N ATOM 1493 CA PHE A 101 -5.260 8.464 -8.748 1.00 10.00 C ATOM 1494 C PHE A 101 -6.104 9.399 -7.915 1.00 10.00 C ATOM 1495 O PHE A 101 -7.193 9.041 -7.492 1.00 10.00 O ATOM 1496 CB PHE A 101 -4.863 7.188 -7.999 1.00 10.00 C ATOM 1497 CG PHE A 101 -4.642 6.014 -8.918 1.00 10.00 C ATOM 1498 CD1 PHE A 101 -3.501 5.920 -9.692 1.00 10.00 C ATOM 1499 CD2 PHE A 101 -5.602 5.022 -9.023 1.00 10.00 C ATOM 1500 CE1 PHE A 101 -3.317 4.855 -10.548 1.00 10.00 C ATOM 1501 CE2 PHE A 101 -5.425 3.955 -9.879 1.00 10.00 C ATOM 1502 CZ PHE A 101 -4.280 3.870 -10.640 1.00 10.00 C ATOM 0 H PHE A 101 -3.306 9.262 -8.842 1.00 10.00 H new ATOM 0 HA PHE A 101 -5.923 8.157 -9.557 1.00 10.00 H new ATOM 0 HB2 PHE A 101 -3.952 7.375 -7.431 1.00 10.00 H new ATOM 0 HB3 PHE A 101 -5.642 6.938 -7.279 1.00 10.00 H new ATOM 0 HD1 PHE A 101 -2.745 6.689 -9.626 1.00 10.00 H new ATOM 0 HD2 PHE A 101 -6.501 5.084 -8.427 1.00 10.00 H new ATOM 0 HE1 PHE A 101 -2.420 4.791 -11.146 1.00 10.00 H new ATOM 0 HE2 PHE A 101 -6.182 3.188 -9.952 1.00 10.00 H new ATOM 0 HZ PHE A 101 -4.136 3.034 -11.308 1.00 10.00 H new ATOM 1512 N ALA A 102 -5.583 10.574 -7.684 1.00 10.00 N ATOM 1513 CA ALA A 102 -6.261 11.696 -6.935 1.00 10.00 C ATOM 1514 C ALA A 102 -6.603 11.405 -5.443 1.00 10.00 C ATOM 1515 O ALA A 102 -6.810 12.336 -4.655 1.00 10.00 O ATOM 1516 CB ALA A 102 -7.462 12.247 -7.698 1.00 10.00 C ATOM 0 H ALA A 102 -4.648 10.824 -8.005 1.00 10.00 H new ATOM 0 HA ALA A 102 -5.499 12.473 -6.882 1.00 10.00 H new ATOM 0 HB1 ALA A 102 -7.920 13.052 -7.123 1.00 10.00 H new ATOM 0 HB2 ALA A 102 -7.134 12.632 -8.664 1.00 10.00 H new ATOM 0 HB3 ALA A 102 -8.191 11.452 -7.853 1.00 10.00 H new ATOM 1522 N GLY A 103 -6.656 10.152 -5.091 1.00 10.00 N ATOM 1523 CA GLY A 103 -6.823 9.695 -3.722 1.00 10.00 C ATOM 1524 C GLY A 103 -6.169 8.336 -3.601 1.00 10.00 C ATOM 1525 O GLY A 103 -5.762 7.782 -4.630 1.00 10.00 O ATOM 0 H GLY A 103 -6.583 9.388 -5.763 1.00 10.00 H new ATOM 0 HA2 GLY A 103 -6.368 10.400 -3.026 1.00 10.00 H new ATOM 0 HA3 GLY A 103 -7.881 9.633 -3.467 1.00 10.00 H new ATOM 1529 N TRP A 104 -6.013 7.801 -2.400 1.00 10.00 N ATOM 1530 CA TRP A 104 -5.465 6.460 -2.233 1.00 10.00 C ATOM 1531 C TRP A 104 -6.613 5.436 -2.303 1.00 10.00 C ATOM 1532 O TRP A 104 -7.723 5.717 -1.841 1.00 10.00 O ATOM 1533 CB TRP A 104 -4.598 6.367 -0.938 1.00 10.00 C ATOM 1534 CG TRP A 104 -4.117 4.991 -0.562 1.00 10.00 C ATOM 1535 CD1 TRP A 104 -2.893 4.421 -0.775 1.00 10.00 C ATOM 1536 CD2 TRP A 104 -4.877 4.039 0.131 1.00 10.00 C ATOM 1537 NE1 TRP A 104 -2.889 3.148 -0.270 1.00 10.00 N ATOM 1538 CE2 TRP A 104 -4.109 2.901 0.296 1.00 10.00 C ATOM 1539 CE3 TRP A 104 -6.154 4.051 0.615 1.00 10.00 C ATOM 1540 CZ2 TRP A 104 -4.613 1.793 0.946 1.00 10.00 C ATOM 1541 CZ3 TRP A 104 -6.643 3.016 1.230 1.00 10.00 C ATOM 1542 CH2 TRP A 104 -5.897 1.891 1.406 1.00 10.00 C ATOM 0 H TRP A 104 -6.257 8.271 -1.528 1.00 10.00 H new ATOM 0 HA TRP A 104 -4.778 6.223 -3.046 1.00 10.00 H new ATOM 0 HB2 TRP A 104 -3.729 7.013 -1.060 1.00 10.00 H new ATOM 0 HB3 TRP A 104 -5.179 6.767 -0.107 1.00 10.00 H new ATOM 0 HD1 TRP A 104 -2.059 4.900 -1.265 1.00 10.00 H new ATOM 0 HE1 TRP A 104 -2.107 2.494 -0.309 1.00 10.00 H new ATOM 0 HE3 TRP A 104 -6.765 4.932 0.485 1.00 10.00 H new ATOM 0 HZ2 TRP A 104 -4.025 0.897 1.084 1.00 10.00 H new ATOM 0 HZ3 TRP A 104 -7.655 3.049 1.607 1.00 10.00 H new ATOM 0 HH2 TRP A 104 -6.333 1.050 1.925 1.00 10.00 H new ATOM 1553 N HIS A 105 -6.358 4.282 -2.915 1.00 10.00 N ATOM 1554 CA HIS A 105 -7.390 3.281 -3.159 1.00 10.00 C ATOM 1555 C HIS A 105 -6.920 1.923 -2.678 1.00 10.00 C ATOM 1556 O HIS A 105 -5.722 1.684 -2.606 1.00 10.00 O ATOM 1557 CB HIS A 105 -7.639 3.192 -4.671 1.00 10.00 C ATOM 1558 CG HIS A 105 -8.181 4.435 -5.307 1.00 10.00 C ATOM 1559 ND1 HIS A 105 -7.377 5.463 -5.739 1.00 10.00 N ATOM 1560 CD2 HIS A 105 -9.442 4.803 -5.619 1.00 10.00 C ATOM 1561 CE1 HIS A 105 -8.123 6.394 -6.288 1.00 10.00 C ATOM 1562 NE2 HIS A 105 -9.367 6.019 -6.229 1.00 10.00 N ATOM 0 H HIS A 105 -5.433 4.016 -3.254 1.00 10.00 H new ATOM 0 HA HIS A 105 -8.298 3.565 -2.628 1.00 10.00 H new ATOM 0 HB2 HIS A 105 -6.701 2.932 -5.162 1.00 10.00 H new ATOM 0 HB3 HIS A 105 -8.335 2.374 -4.860 1.00 10.00 H new ATOM 0 HD1 HIS A 105 -6.362 5.497 -5.648 1.00 10.00 H new ATOM 0 HD2 HIS A 105 -10.342 4.239 -5.422 1.00 10.00 H new ATOM 0 HE1 HIS A 105 -7.763 7.318 -6.717 1.00 10.00 H new ATOM 1571 N MET A 106 -7.832 1.039 -2.357 1.00 10.00 N ATOM 1572 CA MET A 106 -7.440 -0.307 -1.994 1.00 10.00 C ATOM 1573 C MET A 106 -8.271 -1.319 -2.751 1.00 10.00 C ATOM 1574 O MET A 106 -9.495 -1.271 -2.724 1.00 10.00 O ATOM 1575 CB MET A 106 -7.526 -0.575 -0.485 1.00 10.00 C ATOM 1576 CG MET A 106 -6.967 -1.943 -0.099 1.00 10.00 C ATOM 1577 SD MET A 106 -7.016 -2.295 1.661 1.00 10.00 S ATOM 1578 CE MET A 106 -6.123 -3.864 1.727 1.00 10.00 C ATOM 0 H MET A 106 -8.836 1.219 -2.338 1.00 10.00 H new ATOM 0 HA MET A 106 -6.391 -0.410 -2.272 1.00 10.00 H new ATOM 0 HB2 MET A 106 -6.979 0.201 0.050 1.00 10.00 H new ATOM 0 HB3 MET A 106 -8.566 -0.509 -0.167 1.00 10.00 H new ATOM 0 HG2 MET A 106 -7.529 -2.714 -0.627 1.00 10.00 H new ATOM 0 HG3 MET A 106 -5.934 -2.010 -0.442 1.00 10.00 H new ATOM 0 HE1 MET A 106 -6.520 -4.475 2.537 1.00 10.00 H new ATOM 0 HE2 MET A 106 -6.245 -4.392 0.781 1.00 10.00 H new ATOM 0 HE3 MET A 106 -5.064 -3.673 1.902 1.00 10.00 H new ATOM 1588 N GLN A 107 -7.598 -2.215 -3.445 1.00 10.00 N ATOM 1589 CA GLN A 107 -8.249 -3.271 -4.216 1.00 10.00 C ATOM 1590 C GLN A 107 -9.091 -4.177 -3.317 1.00 10.00 C ATOM 1591 O GLN A 107 -10.281 -4.368 -3.543 1.00 10.00 O ATOM 1592 CB GLN A 107 -7.186 -4.107 -4.914 1.00 10.00 C ATOM 1593 CG GLN A 107 -7.723 -5.228 -5.783 1.00 10.00 C ATOM 1594 CD GLN A 107 -6.618 -6.115 -6.298 1.00 10.00 C ATOM 1595 OE1 GLN A 107 -5.592 -6.289 -5.645 1.00 10.00 O ATOM 1596 NE2 GLN A 107 -6.803 -6.669 -7.452 1.00 10.00 N ATOM 0 H GLN A 107 -6.579 -2.237 -3.494 1.00 10.00 H new ATOM 0 HA GLN A 107 -8.909 -2.805 -4.947 1.00 10.00 H new ATOM 0 HB2 GLN A 107 -6.575 -3.449 -5.532 1.00 10.00 H new ATOM 0 HB3 GLN A 107 -6.528 -4.536 -4.158 1.00 10.00 H new ATOM 0 HG2 GLN A 107 -8.431 -5.826 -5.209 1.00 10.00 H new ATOM 0 HG3 GLN A 107 -8.272 -4.805 -6.624 1.00 10.00 H new ATOM 0 HE21 GLN A 107 -7.668 -6.501 -7.965 1.00 10.00 H new ATOM 0 HE22 GLN A 107 -6.084 -7.274 -7.849 1.00 10.00 H new ATOM 1605 N LEU A 108 -8.477 -4.695 -2.266 1.00 10.00 N ATOM 1606 CA LEU A 108 -9.141 -5.659 -1.402 1.00 10.00 C ATOM 1607 C LEU A 108 -9.961 -5.019 -0.286 1.00 10.00 C ATOM 1608 O LEU A 108 -10.046 -5.560 0.809 1.00 10.00 O ATOM 1609 CB LEU A 108 -8.153 -6.687 -0.829 1.00 10.00 C ATOM 1610 CG LEU A 108 -7.442 -7.597 -1.841 1.00 10.00 C ATOM 1611 CD1 LEU A 108 -6.651 -8.664 -1.112 1.00 10.00 C ATOM 1612 CD2 LEU A 108 -8.432 -8.240 -2.808 1.00 10.00 C ATOM 0 H LEU A 108 -7.522 -4.465 -1.990 1.00 10.00 H new ATOM 0 HA LEU A 108 -9.850 -6.180 -2.046 1.00 10.00 H new ATOM 0 HB2 LEU A 108 -7.393 -6.149 -0.262 1.00 10.00 H new ATOM 0 HB3 LEU A 108 -8.691 -7.319 -0.122 1.00 10.00 H new ATOM 0 HG LEU A 108 -6.760 -6.981 -2.427 1.00 10.00 H new ATOM 0 HD11 LEU A 108 -6.150 -9.305 -1.837 1.00 10.00 H new ATOM 0 HD12 LEU A 108 -5.907 -8.191 -0.471 1.00 10.00 H new ATOM 0 HD13 LEU A 108 -7.326 -9.265 -0.502 1.00 10.00 H new ATOM 0 HD21 LEU A 108 -7.894 -8.877 -3.510 1.00 10.00 H new ATOM 0 HD22 LEU A 108 -9.149 -8.841 -2.249 1.00 10.00 H new ATOM 0 HD23 LEU A 108 -8.962 -7.462 -3.357 1.00 10.00 H new ATOM 1624 N SER A 109 -10.576 -3.880 -0.567 0.20 90.00 N ATOM 1625 CA SER A 109 -11.533 -3.326 0.364 0.20 90.00 C ATOM 1626 C SER A 109 -12.779 -4.205 0.302 0.20 90.00 C ATOM 1627 O SER A 109 -13.459 -4.449 1.304 0.20 90.00 O ATOM 1628 CB SER A 109 -11.880 -1.891 -0.016 0.20 90.00 C ATOM 1629 OG SER A 109 -10.718 -1.074 -0.024 0.20 90.00 O ATOM 0 H SER A 109 -10.430 -3.334 -1.416 0.20 90.00 H new ATOM 0 HA SER A 109 -11.120 -3.307 1.373 0.20 90.00 H new ATOM 0 HB2 SER A 109 -12.348 -1.874 -1.000 0.20 90.00 H new ATOM 0 HB3 SER A 109 -12.607 -1.489 0.690 0.20 90.00 H new ATOM 0 HG SER A 109 -10.345 -1.045 -0.930 0.20 90.00 H new ATOM 1635 N CYS A 110 -13.028 -4.717 -0.883 0.20 90.00 N ATOM 1636 CA CYS A 110 -14.099 -5.612 -1.127 0.20 90.00 C ATOM 1637 C CYS A 110 -13.507 -6.997 -1.333 0.20 90.00 C ATOM 1638 O CYS A 110 -12.824 -7.251 -2.330 0.20 90.00 O ATOM 1639 CB CYS A 110 -14.887 -5.170 -2.368 0.20 90.00 C ATOM 1640 SG CYS A 110 -16.340 -6.180 -2.737 0.20 90.00 S ATOM 0 H CYS A 110 -12.470 -4.508 -1.711 0.20 90.00 H new ATOM 0 HA CYS A 110 -14.790 -5.621 -0.284 0.20 90.00 H new ATOM 0 HB2 CYS A 110 -15.205 -4.136 -2.231 0.20 90.00 H new ATOM 0 HB3 CYS A 110 -14.221 -5.187 -3.230 0.20 90.00 H new ATOM 0 HG CYS A 110 -16.930 -5.719 -3.800 0.20 90.00 H new ATOM 1646 N SER A 111 -13.698 -7.853 -0.366 0.20 90.00 N ATOM 1647 CA SER A 111 -13.214 -9.202 -0.439 0.20 90.00 C ATOM 1648 C SER A 111 -14.189 -10.046 -1.274 0.20 90.00 C ATOM 1649 O SER A 111 -15.303 -9.573 -1.590 0.20 90.00 O ATOM 1650 CB SER A 111 -13.054 -9.745 0.985 0.20 90.00 C ATOM 1651 OG SER A 111 -14.241 -9.562 1.752 0.20 90.00 O ATOM 0 H SER A 111 -14.195 -7.632 0.497 0.20 90.00 H new ATOM 0 HA SER A 111 -12.241 -9.243 -0.929 0.20 90.00 H new ATOM 0 HB2 SER A 111 -12.806 -10.806 0.945 0.20 90.00 H new ATOM 0 HB3 SER A 111 -12.221 -9.241 1.476 0.20 90.00 H new ATOM 0 HG SER A 111 -14.106 -9.920 2.654 0.20 90.00 H new ATOM 1657 N GLU A 112 -13.802 -11.256 -1.655 0.20 90.00 N ATOM 1658 CA GLU A 112 -14.684 -12.073 -2.466 0.20 90.00 C ATOM 1659 C GLU A 112 -15.840 -12.693 -1.673 0.20 90.00 C ATOM 1660 O GLU A 112 -16.985 -12.584 -2.088 0.20 90.00 O ATOM 1661 CB GLU A 112 -13.938 -13.084 -3.405 0.20 90.00 C ATOM 1662 CG GLU A 112 -12.802 -13.928 -2.791 0.20 90.00 C ATOM 1663 CD GLU A 112 -13.233 -14.778 -1.629 0.20 90.00 C ATOM 1664 OE1 GLU A 112 -13.927 -15.780 -1.828 0.20 90.00 O ATOM 1665 OE2 GLU A 112 -12.917 -14.421 -0.490 0.20 90.00 O ATOM 0 H GLU A 112 -12.905 -11.683 -1.421 0.20 90.00 H new ATOM 0 HA GLU A 112 -15.159 -11.374 -3.154 0.20 90.00 H new ATOM 0 HB2 GLU A 112 -14.679 -13.769 -3.817 0.20 90.00 H new ATOM 0 HB3 GLU A 112 -13.523 -12.522 -4.242 0.20 90.00 H new ATOM 0 HG2 GLU A 112 -12.383 -14.572 -3.564 0.20 90.00 H new ATOM 0 HG3 GLU A 112 -12.004 -13.262 -2.464 0.20 90.00 H new ATOM 1672 N ALA A 113 -15.523 -13.341 -0.541 0.20 90.00 N ATOM 1673 CA ALA A 113 -16.505 -13.984 0.352 0.20 90.00 C ATOM 1674 C ALA A 113 -17.341 -15.032 -0.400 0.20 90.00 C ATOM 1675 O ALA A 113 -18.435 -15.402 0.024 0.20 90.00 O ATOM 1676 CB ALA A 113 -17.405 -12.934 1.008 0.20 90.00 C ATOM 0 H ALA A 113 -14.562 -13.435 -0.213 0.20 90.00 H new ATOM 0 HA ALA A 113 -15.956 -14.503 1.137 0.20 90.00 H new ATOM 0 HB1 ALA A 113 -18.123 -13.428 1.663 0.20 90.00 H new ATOM 0 HB2 ALA A 113 -16.795 -12.245 1.592 0.20 90.00 H new ATOM 0 HB3 ALA A 113 -17.940 -12.380 0.237 0.20 90.00 H new ATOM 1682 N ASP A 114 -16.781 -15.568 -1.457 0.20 90.00 N ATOM 1683 CA ASP A 114 -17.512 -16.475 -2.338 0.20 90.00 C ATOM 1684 C ASP A 114 -16.797 -17.793 -2.448 0.20 90.00 C ATOM 1685 O ASP A 114 -17.382 -18.862 -2.259 0.20 90.00 O ATOM 1686 CB ASP A 114 -17.658 -15.844 -3.727 0.20 90.00 C ATOM 1687 CG ASP A 114 -18.419 -16.719 -4.700 0.20 90.00 C ATOM 1688 OD1 ASP A 114 -19.673 -16.667 -4.714 0.20 90.00 O ATOM 1689 OD2 ASP A 114 -17.786 -17.432 -5.501 0.20 90.00 O ATOM 0 H ASP A 114 -15.815 -15.396 -1.738 0.20 90.00 H new ATOM 0 HA ASP A 114 -18.501 -16.650 -1.915 0.20 90.00 H new ATOM 0 HB2 ASP A 114 -18.170 -14.886 -3.632 0.20 90.00 H new ATOM 0 HB3 ASP A 114 -16.667 -15.638 -4.132 0.20 90.00 H new ATOM 1694 N MET A 115 -15.526 -17.704 -2.686 0.20 90.00 N ATOM 1695 CA MET A 115 -14.674 -18.841 -2.873 0.20 90.00 C ATOM 1696 C MET A 115 -14.356 -19.366 -1.511 0.20 90.00 C ATOM 1697 O MET A 115 -14.491 -20.549 -1.246 0.20 90.00 O ATOM 1698 CB MET A 115 -13.407 -18.381 -3.586 0.20 90.00 C ATOM 1699 CG MET A 115 -13.719 -17.634 -4.866 0.20 90.00 C ATOM 1700 SD MET A 115 -12.306 -16.805 -5.597 0.20 90.00 S ATOM 1701 CE MET A 115 -13.169 -15.851 -6.852 0.20 90.00 C ATOM 0 H MET A 115 -15.036 -16.812 -2.758 0.20 90.00 H new ATOM 0 HA MET A 115 -15.144 -19.619 -3.474 0.20 90.00 H new ATOM 0 HB2 MET A 115 -12.830 -17.738 -2.922 0.20 90.00 H new ATOM 0 HB3 MET A 115 -12.784 -19.246 -3.813 0.20 90.00 H new ATOM 0 HG2 MET A 115 -14.130 -18.336 -5.592 0.20 90.00 H new ATOM 0 HG3 MET A 115 -14.494 -16.895 -4.663 0.20 90.00 H new ATOM 0 HE1 MET A 115 -12.449 -15.261 -7.420 0.20 90.00 H new ATOM 0 HE2 MET A 115 -13.695 -16.528 -7.525 0.20 90.00 H new ATOM 0 HE3 MET A 115 -13.887 -15.185 -6.373 0.20 90.00 H new ATOM 1711 N ARG A 116 -13.935 -18.444 -0.636 0.20 90.00 N ATOM 1712 CA ARG A 116 -13.693 -18.677 0.808 0.20 90.00 C ATOM 1713 C ARG A 116 -12.600 -19.721 1.150 0.20 90.00 C ATOM 1714 O ARG A 116 -12.093 -19.743 2.257 0.20 90.00 O ATOM 1715 CB ARG A 116 -15.015 -18.987 1.528 0.20 90.00 C ATOM 1716 CG ARG A 116 -16.023 -17.841 1.433 0.20 90.00 C ATOM 1717 CD ARG A 116 -17.348 -18.157 2.113 0.20 90.00 C ATOM 1718 NE ARG A 116 -18.037 -19.319 1.521 0.20 90.00 N ATOM 1719 CZ ARG A 116 -19.324 -19.633 1.733 0.20 90.00 C ATOM 1720 NH1 ARG A 116 -20.133 -18.772 2.358 0.20 90.00 N ATOM 1721 NH2 ARG A 116 -19.808 -20.781 1.265 0.20 90.00 N ATOM 0 H ARG A 116 -13.745 -17.481 -0.915 0.20 90.00 H new ATOM 0 HA ARG A 116 -13.278 -17.740 1.180 0.20 90.00 H new ATOM 0 HB2 ARG A 116 -15.454 -19.888 1.100 0.20 90.00 H new ATOM 0 HB3 ARG A 116 -14.811 -19.200 2.577 0.20 90.00 H new ATOM 0 HG2 ARG A 116 -15.593 -16.947 1.885 0.20 90.00 H new ATOM 0 HG3 ARG A 116 -16.205 -17.611 0.383 0.20 90.00 H new ATOM 0 HD2 ARG A 116 -17.171 -18.347 3.171 0.20 90.00 H new ATOM 0 HD3 ARG A 116 -17.999 -17.285 2.051 0.20 90.00 H new ATOM 0 HE ARG A 116 -17.496 -19.927 0.906 0.20 90.00 H new ATOM 0 HH11 ARG A 116 -19.773 -17.872 2.676 0.20 90.00 H new ATOM 0 HH12 ARG A 116 -21.111 -19.015 2.517 0.20 90.00 H new ATOM 0 HH21 ARG A 116 -19.201 -21.417 0.748 0.20 90.00 H new ATOM 0 HH22 ARG A 116 -20.786 -21.025 1.423 0.20 90.00 H new ATOM 1735 N SER A 117 -12.235 -20.553 0.211 0.20 90.00 N ATOM 1736 CA SER A 117 -11.243 -21.599 0.405 0.20 90.00 C ATOM 1737 C SER A 117 -9.825 -21.035 0.498 0.20 90.00 C ATOM 1738 O SER A 117 -8.874 -21.769 0.777 0.20 90.00 O ATOM 1739 CB SER A 117 -11.338 -22.562 -0.759 0.20 90.00 C ATOM 1740 OG SER A 117 -12.690 -22.976 -0.957 0.20 90.00 O ATOM 0 H SER A 117 -12.622 -20.529 -0.733 0.20 90.00 H new ATOM 0 HA SER A 117 -11.448 -22.105 1.348 0.20 90.00 H new ATOM 0 HB2 SER A 117 -10.961 -22.086 -1.664 0.20 90.00 H new ATOM 0 HB3 SER A 117 -10.709 -23.432 -0.571 0.20 90.00 H new ATOM 0 HG SER A 117 -12.735 -23.597 -1.714 0.20 90.00 H new ATOM 1746 N LEU A 118 -9.698 -19.734 0.298 0.20 90.00 N ATOM 1747 CA LEU A 118 -8.409 -19.074 0.314 0.20 90.00 C ATOM 1748 C LEU A 118 -7.829 -19.087 1.729 0.20 90.00 C ATOM 1749 O LEU A 118 -6.617 -19.075 1.916 0.20 90.00 O ATOM 1750 CB LEU A 118 -8.541 -17.638 -0.213 0.20 90.00 C ATOM 1751 CG LEU A 118 -9.224 -17.476 -1.585 0.20 90.00 C ATOM 1752 CD1 LEU A 118 -9.263 -16.018 -2.001 0.20 90.00 C ATOM 1753 CD2 LEU A 118 -8.545 -18.327 -2.654 0.20 90.00 C ATOM 0 H LEU A 118 -10.485 -19.109 0.121 0.20 90.00 H new ATOM 0 HA LEU A 118 -7.725 -19.614 -0.341 0.20 90.00 H new ATOM 0 HB2 LEU A 118 -9.100 -17.055 0.519 0.20 90.00 H new ATOM 0 HB3 LEU A 118 -7.544 -17.202 -0.273 0.20 90.00 H new ATOM 0 HG LEU A 118 -10.250 -17.831 -1.484 0.20 90.00 H new ATOM 0 HD11 LEU A 118 -9.750 -15.930 -2.972 0.20 90.00 H new ATOM 0 HD12 LEU A 118 -9.821 -15.444 -1.262 0.20 90.00 H new ATOM 0 HD13 LEU A 118 -8.246 -15.631 -2.068 0.20 90.00 H new ATOM 0 HD21 LEU A 118 -9.054 -18.187 -3.608 0.20 90.00 H new ATOM 0 HD22 LEU A 118 -7.502 -18.025 -2.751 0.20 90.00 H new ATOM 0 HD23 LEU A 118 -8.593 -19.378 -2.368 0.20 90.00 H new ATOM 1765 N GLY A 119 -8.704 -19.134 2.714 0.20 90.00 N ATOM 1766 CA GLY A 119 -8.258 -19.193 4.077 0.20 90.00 C ATOM 1767 C GLY A 119 -9.378 -19.457 5.063 0.20 90.00 C ATOM 1768 O GLY A 119 -9.162 -20.117 6.081 0.20 90.00 O ATOM 0 H GLY A 119 -9.717 -19.132 2.591 0.20 90.00 H new ATOM 0 HA2 GLY A 119 -7.507 -19.977 4.173 0.20 90.00 H new ATOM 0 HA3 GLY A 119 -7.771 -18.252 4.334 0.20 90.00 H new ATOM 1772 N LEU A 120 -10.561 -18.948 4.767 0.20 90.00 N ATOM 1773 CA LEU A 120 -11.720 -19.082 5.655 0.20 90.00 C ATOM 1774 C LEU A 120 -12.198 -20.530 5.725 0.20 90.00 C ATOM 1775 O LEU A 120 -12.401 -21.093 6.819 0.20 90.00 O ATOM 1776 CB LEU A 120 -12.867 -18.205 5.142 0.20 90.00 C ATOM 1777 CG LEU A 120 -14.120 -18.123 6.024 0.20 90.00 C ATOM 1778 CD1 LEU A 120 -13.802 -17.484 7.370 0.20 90.00 C ATOM 1779 CD2 LEU A 120 -15.220 -17.355 5.314 0.20 90.00 C ATOM 0 H LEU A 120 -10.753 -18.431 3.909 0.20 90.00 H new ATOM 0 HA LEU A 120 -11.417 -18.764 6.653 0.20 90.00 H new ATOM 0 HB2 LEU A 120 -12.485 -17.194 4.999 0.20 90.00 H new ATOM 0 HB3 LEU A 120 -13.165 -18.575 4.161 0.20 90.00 H new ATOM 0 HG LEU A 120 -14.470 -19.138 6.209 0.20 90.00 H new ATOM 0 HD11 LEU A 120 -14.708 -17.439 7.974 0.20 90.00 H new ATOM 0 HD12 LEU A 120 -13.050 -18.080 7.887 0.20 90.00 H new ATOM 0 HD13 LEU A 120 -13.420 -16.475 7.213 0.20 90.00 H new ATOM 0 HD21 LEU A 120 -16.101 -17.307 5.954 0.20 90.00 H new ATOM 0 HD22 LEU A 120 -14.875 -16.345 5.094 0.20 90.00 H new ATOM 0 HD23 LEU A 120 -15.475 -17.862 4.383 0.20 90.00 H new ATOM 1791 N ALA A 121 -12.377 -21.133 4.571 0.20 90.00 N ATOM 1792 CA ALA A 121 -12.889 -22.467 4.504 0.20 90.00 C ATOM 1793 C ALA A 121 -11.822 -23.519 4.765 0.20 90.00 C ATOM 1794 O ALA A 121 -11.219 -24.083 3.852 0.20 90.00 O ATOM 1795 CB ALA A 121 -13.662 -22.736 3.219 0.20 90.00 C ATOM 0 H ALA A 121 -12.172 -20.711 3.666 0.20 90.00 H new ATOM 0 HA ALA A 121 -13.608 -22.551 5.319 0.20 90.00 H new ATOM 0 HB1 ALA A 121 -14.027 -23.763 3.222 0.20 90.00 H new ATOM 0 HB2 ALA A 121 -14.507 -22.051 3.152 0.20 90.00 H new ATOM 0 HB3 ALA A 121 -13.006 -22.587 2.362 0.20 90.00 H new ATOM 1801 N GLU A 122 -11.529 -23.680 6.026 0.20 90.00 N ATOM 1802 CA GLU A 122 -10.658 -24.726 6.520 0.20 90.00 C ATOM 1803 C GLU A 122 -11.580 -25.815 7.069 0.20 90.00 C ATOM 1804 O GLU A 122 -11.169 -26.912 7.467 0.20 90.00 O ATOM 1805 CB GLU A 122 -9.802 -24.153 7.659 0.20 90.00 C ATOM 1806 CG GLU A 122 -8.681 -25.057 8.139 0.20 90.00 C ATOM 1807 CD GLU A 122 -7.621 -25.252 7.090 0.20 90.00 C ATOM 1808 OE1 GLU A 122 -6.936 -24.274 6.745 0.20 90.00 O ATOM 1809 OE2 GLU A 122 -7.429 -26.386 6.614 0.20 90.00 O ATOM 0 H GLU A 122 -11.895 -23.076 6.762 0.20 90.00 H new ATOM 0 HA GLU A 122 -9.998 -25.117 5.745 0.20 90.00 H new ATOM 0 HB2 GLU A 122 -9.370 -23.209 7.328 0.20 90.00 H new ATOM 0 HB3 GLU A 122 -10.453 -23.927 8.504 0.20 90.00 H new ATOM 0 HG2 GLU A 122 -8.230 -24.629 9.034 0.20 90.00 H new ATOM 0 HG3 GLU A 122 -9.093 -26.026 8.421 0.20 90.00 H new ATOM 1816 N SER A 123 -12.831 -25.484 7.073 0.20 90.00 N ATOM 1817 CA SER A 123 -13.846 -26.290 7.602 0.20 90.00 C ATOM 1818 C SER A 123 -14.392 -27.279 6.588 0.20 90.00 C ATOM 1819 O SER A 123 -15.248 -26.951 5.766 0.20 90.00 O ATOM 1820 CB SER A 123 -14.926 -25.378 8.161 0.20 90.00 C ATOM 1821 OG SER A 123 -15.120 -24.265 7.278 0.20 90.00 O ATOM 0 H SER A 123 -13.172 -24.603 6.687 0.20 90.00 H new ATOM 0 HA SER A 123 -13.439 -26.908 8.402 0.20 90.00 H new ATOM 0 HB2 SER A 123 -15.859 -25.930 8.277 0.20 90.00 H new ATOM 0 HB3 SER A 123 -14.640 -25.024 9.152 0.20 90.00 H new ATOM 0 HG SER A 123 -15.253 -24.592 6.364 0.20 90.00 H new ATOM 1827 N ARG A 124 -13.834 -28.464 6.602 0.20 90.00 N ATOM 1828 CA ARG A 124 -14.377 -29.561 5.815 0.20 90.00 C ATOM 1829 C ARG A 124 -15.412 -30.283 6.660 0.20 90.00 C ATOM 1830 O ARG A 124 -16.204 -31.073 6.175 0.20 90.00 O ATOM 1831 CB ARG A 124 -13.299 -30.558 5.300 0.20 90.00 C ATOM 1832 CG ARG A 124 -12.402 -31.211 6.367 0.20 90.00 C ATOM 1833 CD ARG A 124 -11.215 -30.327 6.740 0.20 90.00 C ATOM 1834 NE ARG A 124 -10.358 -30.087 5.577 0.20 90.00 N ATOM 1835 CZ ARG A 124 -9.332 -29.224 5.511 0.20 90.00 C ATOM 1836 NH1 ARG A 124 -8.994 -28.504 6.567 0.20 90.00 N ATOM 1837 NH2 ARG A 124 -8.641 -29.107 4.379 0.20 90.00 N ATOM 0 H ARG A 124 -13.005 -28.701 7.147 0.20 90.00 H new ATOM 0 HA ARG A 124 -14.827 -29.137 4.918 0.20 90.00 H new ATOM 0 HB2 ARG A 124 -13.803 -31.350 4.747 0.20 90.00 H new ATOM 0 HB3 ARG A 124 -12.659 -30.032 4.591 0.20 90.00 H new ATOM 0 HG2 ARG A 124 -12.993 -31.418 7.259 0.20 90.00 H new ATOM 0 HG3 ARG A 124 -12.037 -32.169 5.996 0.20 90.00 H new ATOM 0 HD2 ARG A 124 -11.574 -29.377 7.135 0.20 90.00 H new ATOM 0 HD3 ARG A 124 -10.636 -30.803 7.532 0.20 90.00 H new ATOM 0 HE ARG A 124 -10.560 -30.628 4.736 0.20 90.00 H new ATOM 0 HH11 ARG A 124 -9.514 -28.602 7.439 0.20 90.00 H new ATOM 0 HH12 ARG A 124 -8.213 -27.850 6.510 0.20 90.00 H new ATOM 0 HH21 ARG A 124 -8.892 -29.672 3.567 0.20 90.00 H new ATOM 0 HH22 ARG A 124 -7.860 -28.453 4.323 0.20 90.00 H new ATOM 1851 N GLN A 125 -15.398 -29.956 7.930 0.20 90.00 N ATOM 1852 CA GLN A 125 -16.288 -30.512 8.910 0.20 90.00 C ATOM 1853 C GLN A 125 -16.719 -29.396 9.832 0.20 90.00 C ATOM 1854 O GLN A 125 -16.062 -28.327 9.839 0.20 90.00 O ATOM 1855 CB GLN A 125 -15.566 -31.606 9.702 0.20 90.00 C ATOM 1856 CG GLN A 125 -16.409 -32.272 10.779 0.20 90.00 C ATOM 1857 CD GLN A 125 -17.685 -32.857 10.225 0.20 90.00 C ATOM 1858 OE1 GLN A 125 -18.725 -32.200 10.199 0.20 90.00 O ATOM 1859 NE2 GLN A 125 -17.615 -34.061 9.754 0.20 90.00 N ATOM 0 H GLN A 125 -14.745 -29.275 8.318 0.20 90.00 H new ATOM 0 HA GLN A 125 -17.159 -30.957 8.429 0.20 90.00 H new ATOM 0 HB2 GLN A 125 -15.219 -32.370 9.007 0.20 90.00 H new ATOM 0 HB3 GLN A 125 -14.681 -31.174 10.168 0.20 90.00 H new ATOM 0 HG2 GLN A 125 -15.828 -33.060 11.257 0.20 90.00 H new ATOM 0 HG3 GLN A 125 -16.651 -31.542 11.551 0.20 90.00 H new ATOM 0 HE21 GLN A 125 -16.734 -34.574 9.794 0.20 90.00 H new ATOM 0 HE22 GLN A 125 -18.441 -34.497 9.343 0.20 90.00 H new TER 1868 GLN A 125 HETATM 1869 PA FAD A1126 -1.358 1.221 15.731 1.00 10.00 P HETATM 1870 O1A FAD A1126 -2.481 1.918 14.976 1.00 10.00 O HETATM 1871 O2A FAD A1126 -1.610 1.045 17.214 1.00 10.00 O HETATM 1872 O5B FAD A1126 -0.020 2.035 15.585 1.00 10.00 O HETATM 1873 C5B FAD A1126 1.236 1.470 16.006 1.00 10.00 C HETATM 1874 C4B FAD A1126 1.979 2.429 16.920 1.00 10.00 C HETATM 1875 O4B FAD A1126 1.553 3.785 16.637 1.00 10.00 O HETATM 1876 C3B FAD A1126 1.730 2.244 18.413 1.00 10.00 C HETATM 1877 O3B FAD A1126 2.848 2.664 19.196 1.00 10.00 O HETATM 1878 C2B FAD A1126 0.530 3.123 18.677 1.00 10.00 C HETATM 1879 O2B FAD A1126 0.505 3.587 20.017 1.00 10.00 O HETATM 1880 C1B FAD A1126 0.819 4.297 17.736 1.00 10.00 C HETATM 1881 N9A FAD A1126 -0.387 4.959 17.232 1.00 10.00 N HETATM 1882 C8A FAD A1126 -1.609 5.047 17.850 1.00 10.00 C HETATM 1883 N7A FAD A1126 -2.495 5.723 17.169 1.00 10.00 N HETATM 1884 C5A FAD A1126 -1.824 6.109 16.031 1.00 10.00 C HETATM 1885 C6A FAD A1126 -2.223 6.859 14.923 1.00 10.00 C HETATM 1886 N6A FAD A1126 -3.439 7.374 14.796 1.00 10.00 N HETATM 1887 N1A FAD A1126 -1.322 7.071 13.950 1.00 10.00 N HETATM 1888 C2A FAD A1126 -0.092 6.567 14.091 1.00 10.00 C HETATM 1889 N3A FAD A1126 0.410 5.843 15.091 1.00 10.00 N HETATM 1890 C4A FAD A1126 -0.522 5.651 16.046 1.00 10.00 C HETATM 1891 N1 FAD A1126 1.206 4.292 7.147 1.00 10.00 N HETATM 1892 C2 FAD A1126 0.935 5.599 6.853 1.00 10.00 C HETATM 1893 O2 FAD A1126 1.275 6.503 7.637 1.00 10.00 O HETATM 1894 N3 FAD A1126 0.280 5.922 5.658 1.00 10.00 N HETATM 1895 C4 FAD A1126 -0.096 4.964 4.801 1.00 10.00 C HETATM 1896 O4 FAD A1126 -0.664 5.227 3.763 1.00 10.00 O HETATM 1897 C4X FAD A1126 0.165 3.638 5.087 1.00 10.00 C HETATM 1898 N5 FAD A1126 -0.219 2.686 4.207 1.00 10.00 N HETATM 1899 C5X FAD A1126 0.013 1.378 4.424 1.00 10.00 C HETATM 1900 C6 FAD A1126 -0.413 0.449 3.474 1.00 10.00 C HETATM 1901 C7 FAD A1126 -0.193 -0.911 3.668 1.00 10.00 C HETATM 1902 C7M FAD A1126 -0.668 -1.897 2.610 1.00 10.00 C HETATM 1903 C8 FAD A1126 0.467 -1.367 4.836 1.00 10.00 C HETATM 1904 C8M FAD A1126 0.713 -2.850 5.054 1.00 10.00 C HETATM 1905 C9 FAD A1126 0.902 -0.444 5.802 1.00 10.00 C HETATM 1906 C9A FAD A1126 0.678 0.948 5.602 1.00 10.00 C HETATM 1907 N10 FAD A1126 1.098 1.930 6.554 1.00 10.00 N HETATM 1908 C10 FAD A1126 0.829 3.297 6.276 1.00 10.00 C HETATM 1909 C1' FAD A1126 1.784 1.559 7.772 1.00 10.00 C HETATM 1910 C2' FAD A1126 0.897 0.910 8.809 1.00 10.00 C HETATM 1911 O2' FAD A1126 -0.119 1.814 9.199 1.00 10.00 O HETATM 1912 C3' FAD A1126 1.954 0.665 9.923 1.00 10.00 C HETATM 1913 O3' FAD A1126 2.937 -0.285 9.514 1.00 10.00 O HETATM 1914 C4' FAD A1126 1.169 0.116 11.109 1.00 10.00 C HETATM 1915 O4' FAD A1126 1.990 -0.857 11.777 1.00 10.00 O HETATM 1916 C5' FAD A1126 0.707 1.155 12.112 1.00 10.00 C HETATM 1917 O5' FAD A1126 0.665 0.589 13.415 1.00 10.00 O HETATM 1918 P FAD A1126 -0.295 -0.613 13.739 1.00 10.00 P HETATM 1919 O1P FAD A1126 -1.240 -0.772 12.604 1.00 10.00 O HETATM 1920 O2P FAD A1126 0.584 -1.802 13.981 1.00 10.00 O HETATM 1921 O3P FAD A1126 -1.098 -0.265 15.122 1.00 10.00 O HETATM 0 HO4' FAD A1126 2.186 -0.550 12.687 1.00 10.00 H new HETATM 0 HO3A FAD A1126 2.531 3.034 20.046 1.00 10.00 H new HETATM 0 HO3' FAD A1126 3.098 -0.923 10.240 1.00 10.00 H new HETATM 0 HO2A FAD A1126 -0.283 4.154 20.152 1.00 10.00 H new HETATM 0 HO2' FAD A1126 -0.832 1.814 8.527 1.00 10.00 H new HETATM 0 HM83 FAD A1126 -0.240 -3.378 5.074 1.00 10.00 H new HETATM 0 HM82 FAD A1126 1.327 -3.240 4.242 1.00 10.00 H new HETATM 0 HM81 FAD A1126 1.229 -2.998 6.002 1.00 10.00 H new HETATM 0 HM73 FAD A1126 -1.748 -1.811 2.491 1.00 10.00 H new HETATM 0 HM72 FAD A1126 -0.180 -1.676 1.661 1.00 10.00 H new HETATM 0 HM71 FAD A1126 -0.417 -2.912 2.919 1.00 10.00 H new HETATM 0 H62A FAD A1126 -3.680 7.915 13.965 1.00 10.00 H new HETATM 0 H61A FAD A1126 -4.133 7.229 15.529 1.00 10.00 H new HETATM 0 H52A FAD A1126 1.060 0.528 16.525 1.00 10.00 H new HETATM 0 H51A FAD A1126 1.849 1.244 15.133 1.00 10.00 H new HETATM 0 H5'2 FAD A1126 1.383 2.010 12.100 1.00 10.00 H new HETATM 0 H5'1 FAD A1126 -0.280 1.525 11.836 1.00 10.00 H new HETATM 0 H1'2 FAD A1126 2.596 0.875 7.525 1.00 10.00 H new HETATM 0 H1'1 FAD A1126 2.239 2.450 8.205 1.00 10.00 H new HETATM 0 HN3 FAD A1126 0.087 6.899 5.438 1.00 10.00 H new HETATM 0 H9 FAD A1126 1.409 -0.792 6.702 1.00 10.00 H new HETATM 0 H8A FAD A1126 -1.821 4.595 18.819 1.00 10.00 H new HETATM 0 H6 FAD A1126 -0.922 0.791 2.573 1.00 10.00 H new HETATM 0 H4B FAD A1126 3.031 2.226 16.718 1.00 10.00 H new HETATM 0 H4' FAD A1126 0.255 -0.315 10.702 1.00 10.00 H new HETATM 0 H3B FAD A1126 1.571 1.200 18.681 1.00 10.00 H new HETATM 0 H3' FAD A1126 2.489 1.584 10.161 1.00 10.00 H new HETATM 0 H2B FAD A1126 -0.423 2.618 18.523 1.00 10.00 H new HETATM 0 H2A FAD A1126 0.597 6.778 13.273 1.00 10.00 H new HETATM 0 H2' FAD A1126 0.357 0.013 8.508 1.00 10.00 H new HETATM 0 H1B FAD A1126 1.370 5.050 18.299 1.00 10.00 H new