USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 964 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 SER OG : rot 180:sc= -1.95! USER MOD Set 1.2: A 20 ASN : amide:sc= -1.02! K(o=-3!,f=2.1) USER MOD Set 2.1: A 5 SER OG : rot 180:sc= -0.195 USER MOD Set 2.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0931 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -58:sc= 0.346 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= -0.16 (180deg=-0.16) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-3.2) USER MOD Single : A 40 CYS SG : rot 151:sc= -0.445 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -4.38! C(o=-4.4!,f=-5.5!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -4.06! K(o=-4.1!,f=-1.4) USER MOD Single : A 58 THR OG1 : rot -42:sc= 1.26 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.47 K(o=-1.5,f=-3.1!) USER MOD Single : A 73 GLN : amide:sc= -0.0383 X(o=-0.038,f=-0.5) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -66:sc= 1.41 USER MOD Single : A 86 THR OG1 : rot -18:sc= -0.221 USER MOD Single : A 88 LYS NZ :NH3+ 151:sc= -0.118 (180deg=-2.46) USER MOD Single : A 91 GLN : amide:sc= -4.59! C(o=-4.6!,f=-3.2!) USER MOD Single : A 92 LYS NZ :NH3+ 170:sc= 1.17 (180deg=0.967) USER MOD Single : A 95 SER OG : rot 180:sc= -0.924 USER MOD Single : A 99 TYR OH : rot -20:sc= -0.779 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.212 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 ASN : amide:sc= -0.548 X(o=-0.55,f=-0.88) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= -0.0316 USER MOD Single : A 132 SER OG : rot 180:sc= -0.13 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.546 11.194 -5.555 1.00 0.00 N ATOM 2 CA GLY A 1 -14.312 10.493 -4.541 1.00 0.00 C ATOM 3 C GLY A 1 -13.986 9.014 -4.487 1.00 0.00 C ATOM 4 O GLY A 1 -13.130 8.533 -5.230 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.999 11.959 -5.110 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.896 10.529 -6.021 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.193 11.597 -6.262 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.115 10.941 -3.567 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.376 10.620 -4.741 1.00 0.00 H new ATOM 8 N SER A 2 -14.667 8.291 -3.604 1.00 0.00 N ATOM 9 CA SER A 2 -14.440 6.859 -3.451 1.00 0.00 C ATOM 10 C SER A 2 -12.949 6.551 -3.359 1.00 0.00 C ATOM 11 O SER A 2 -12.445 5.658 -4.040 1.00 0.00 O ATOM 12 CB SER A 2 -15.059 6.096 -4.624 1.00 0.00 C ATOM 13 OG SER A 2 -15.339 4.753 -4.268 1.00 0.00 O ATOM 0 H SER A 2 -15.381 8.673 -2.984 1.00 0.00 H new ATOM 0 HA SER A 2 -14.916 6.537 -2.525 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.977 6.591 -4.940 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.378 6.116 -5.475 1.00 0.00 H new ATOM 0 HG SER A 2 -15.735 4.287 -5.034 1.00 0.00 H new ATOM 19 N SER A 3 -12.248 7.298 -2.511 1.00 0.00 N ATOM 20 CA SER A 3 -10.814 7.109 -2.332 1.00 0.00 C ATOM 21 C SER A 3 -10.534 5.996 -1.326 1.00 0.00 C ATOM 22 O SER A 3 -9.689 6.140 -0.444 1.00 0.00 O ATOM 23 CB SER A 3 -10.161 8.411 -1.864 1.00 0.00 C ATOM 24 OG SER A 3 -8.748 8.309 -1.885 1.00 0.00 O ATOM 0 H SER A 3 -12.651 8.039 -1.938 1.00 0.00 H new ATOM 0 HA SER A 3 -10.388 6.822 -3.293 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.479 9.232 -2.506 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.497 8.647 -0.854 1.00 0.00 H new ATOM 0 HG SER A 3 -8.465 7.566 -1.312 1.00 0.00 H new ATOM 30 N GLY A 4 -11.252 4.886 -1.466 1.00 0.00 N ATOM 31 CA GLY A 4 -11.068 3.765 -0.563 1.00 0.00 C ATOM 32 C GLY A 4 -11.978 3.839 0.647 1.00 0.00 C ATOM 33 O GLY A 4 -12.336 4.928 1.097 1.00 0.00 O ATOM 0 H GLY A 4 -11.958 4.743 -2.188 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.257 2.835 -1.100 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.030 3.736 -0.232 1.00 0.00 H new ATOM 37 N SER A 5 -12.353 2.679 1.176 1.00 0.00 N ATOM 38 CA SER A 5 -13.231 2.617 2.338 1.00 0.00 C ATOM 39 C SER A 5 -12.420 2.552 3.629 1.00 0.00 C ATOM 40 O SER A 5 -12.648 3.327 4.558 1.00 0.00 O ATOM 41 CB SER A 5 -14.156 1.402 2.242 1.00 0.00 C ATOM 42 OG SER A 5 -13.414 0.194 2.268 1.00 0.00 O ATOM 0 H SER A 5 -12.062 1.769 0.818 1.00 0.00 H new ATOM 0 HA SER A 5 -13.835 3.524 2.354 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.866 1.415 3.069 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.738 1.456 1.322 1.00 0.00 H new ATOM 0 HG SER A 5 -14.027 -0.568 2.207 1.00 0.00 H new ATOM 48 N SER A 6 -11.473 1.621 3.679 1.00 0.00 N ATOM 49 CA SER A 6 -10.629 1.451 4.856 1.00 0.00 C ATOM 50 C SER A 6 -9.401 2.352 4.779 1.00 0.00 C ATOM 51 O SER A 6 -8.490 2.114 3.987 1.00 0.00 O ATOM 52 CB SER A 6 -10.196 -0.010 4.992 1.00 0.00 C ATOM 53 OG SER A 6 -11.312 -0.853 5.222 1.00 0.00 O ATOM 0 H SER A 6 -11.271 0.973 2.918 1.00 0.00 H new ATOM 0 HA SER A 6 -11.211 1.734 5.733 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.679 -0.325 4.086 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.487 -0.108 5.814 1.00 0.00 H new ATOM 0 HG SER A 6 -11.009 -1.781 5.304 1.00 0.00 H new ATOM 59 N GLY A 7 -9.383 3.391 5.609 1.00 0.00 N ATOM 60 CA GLY A 7 -8.263 4.313 5.620 1.00 0.00 C ATOM 61 C GLY A 7 -8.026 4.953 4.267 1.00 0.00 C ATOM 62 O GLY A 7 -8.913 4.963 3.413 1.00 0.00 O ATOM 0 H GLY A 7 -10.125 3.610 6.274 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.445 5.092 6.360 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.363 3.783 5.930 1.00 0.00 H new ATOM 66 N ASP A 8 -6.827 5.491 4.071 1.00 0.00 N ATOM 67 CA ASP A 8 -6.476 6.138 2.811 1.00 0.00 C ATOM 68 C ASP A 8 -5.812 5.148 1.859 1.00 0.00 C ATOM 69 O ASP A 8 -5.127 5.542 0.916 1.00 0.00 O ATOM 70 CB ASP A 8 -5.545 7.324 3.065 1.00 0.00 C ATOM 71 CG ASP A 8 -5.068 7.971 1.779 1.00 0.00 C ATOM 72 OD1 ASP A 8 -5.846 8.742 1.178 1.00 0.00 O ATOM 73 OD2 ASP A 8 -3.917 7.707 1.374 1.00 0.00 O ATOM 0 H ASP A 8 -6.082 5.492 4.768 1.00 0.00 H new ATOM 0 HA ASP A 8 -7.394 6.500 2.348 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.064 8.066 3.671 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.683 6.989 3.641 1.00 0.00 H new ATOM 78 N VAL A 9 -6.018 3.860 2.114 1.00 0.00 N ATOM 79 CA VAL A 9 -5.439 2.813 1.280 1.00 0.00 C ATOM 80 C VAL A 9 -6.160 2.716 -0.060 1.00 0.00 C ATOM 81 O VAL A 9 -7.370 2.490 -0.110 1.00 0.00 O ATOM 82 CB VAL A 9 -5.495 1.442 1.981 1.00 0.00 C ATOM 83 CG1 VAL A 9 -4.824 0.378 1.126 1.00 0.00 C ATOM 84 CG2 VAL A 9 -4.848 1.520 3.355 1.00 0.00 C ATOM 0 H VAL A 9 -6.582 3.516 2.892 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.397 3.084 1.110 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.540 1.162 2.112 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.873 -0.584 1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.336 0.306 0.167 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.781 0.648 0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.896 0.543 3.836 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.806 1.821 3.250 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.377 2.252 3.965 1.00 0.00 H new ATOM 94 N ILE A 10 -5.410 2.889 -1.143 1.00 0.00 N ATOM 95 CA ILE A 10 -5.978 2.819 -2.483 1.00 0.00 C ATOM 96 C ILE A 10 -5.820 1.423 -3.075 1.00 0.00 C ATOM 97 O ILE A 10 -4.755 0.814 -2.980 1.00 0.00 O ATOM 98 CB ILE A 10 -5.318 3.842 -3.427 1.00 0.00 C ATOM 99 CG1 ILE A 10 -5.589 5.267 -2.940 1.00 0.00 C ATOM 100 CG2 ILE A 10 -5.829 3.656 -4.849 1.00 0.00 C ATOM 101 CD1 ILE A 10 -4.574 6.276 -3.431 1.00 0.00 C ATOM 0 H ILE A 10 -4.408 3.079 -1.118 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.038 3.053 -2.389 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.241 3.676 -3.424 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.582 5.572 -3.270 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.599 5.274 -1.850 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.354 4.386 -5.505 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.590 2.650 -5.193 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.909 3.799 -4.869 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.828 7.264 -3.047 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.582 5.994 -3.079 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.580 6.297 -4.521 1.00 0.00 H new ATOM 113 N GLU A 11 -6.889 0.922 -3.688 1.00 0.00 N ATOM 114 CA GLU A 11 -6.868 -0.403 -4.296 1.00 0.00 C ATOM 115 C GLU A 11 -6.384 -0.331 -5.742 1.00 0.00 C ATOM 116 O GLU A 11 -6.758 0.574 -6.489 1.00 0.00 O ATOM 117 CB GLU A 11 -8.261 -1.034 -4.244 1.00 0.00 C ATOM 118 CG GLU A 11 -8.501 -1.879 -3.005 1.00 0.00 C ATOM 119 CD GLU A 11 -9.958 -1.904 -2.588 1.00 0.00 C ATOM 120 OE1 GLU A 11 -10.607 -0.838 -2.634 1.00 0.00 O ATOM 121 OE2 GLU A 11 -10.450 -2.990 -2.216 1.00 0.00 O ATOM 0 H GLU A 11 -7.779 1.413 -3.776 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.174 -1.024 -3.729 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.010 -0.243 -4.285 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.403 -1.654 -5.129 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.164 -2.898 -3.194 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.899 -1.491 -2.183 1.00 0.00 H new ATOM 128 N LEU A 12 -5.550 -1.289 -6.129 1.00 0.00 N ATOM 129 CA LEU A 12 -5.013 -1.335 -7.484 1.00 0.00 C ATOM 130 C LEU A 12 -5.362 -2.656 -8.163 1.00 0.00 C ATOM 131 O LEU A 12 -5.684 -3.642 -7.500 1.00 0.00 O ATOM 132 CB LEU A 12 -3.495 -1.147 -7.460 1.00 0.00 C ATOM 133 CG LEU A 12 -2.994 0.187 -6.906 1.00 0.00 C ATOM 134 CD1 LEU A 12 -1.491 0.139 -6.675 1.00 0.00 C ATOM 135 CD2 LEU A 12 -3.354 1.326 -7.849 1.00 0.00 C ATOM 0 H LEU A 12 -5.231 -2.045 -5.523 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.464 -0.523 -8.054 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.059 -1.951 -6.867 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.119 -1.260 -8.477 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.483 0.367 -5.948 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.153 1.097 -6.281 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.258 -0.650 -5.960 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.984 -0.064 -7.618 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.989 2.268 -7.438 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.894 1.152 -8.822 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.437 1.375 -7.963 1.00 0.00 H new ATOM 147 N THR A 13 -5.293 -2.669 -9.491 1.00 0.00 N ATOM 148 CA THR A 13 -5.601 -3.868 -10.261 1.00 0.00 C ATOM 149 C THR A 13 -4.399 -4.315 -11.085 1.00 0.00 C ATOM 150 O THR A 13 -3.396 -3.606 -11.172 1.00 0.00 O ATOM 151 CB THR A 13 -6.799 -3.640 -11.202 1.00 0.00 C ATOM 152 OG1 THR A 13 -7.695 -2.681 -10.630 1.00 0.00 O ATOM 153 CG2 THR A 13 -7.539 -4.943 -11.460 1.00 0.00 C ATOM 0 H THR A 13 -5.026 -1.862 -10.056 1.00 0.00 H new ATOM 0 HA THR A 13 -5.857 -4.648 -9.543 1.00 0.00 H new ATOM 0 HB THR A 13 -6.421 -3.261 -12.152 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.453 -2.540 -11.235 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.381 -4.757 -12.127 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.861 -5.661 -11.922 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.906 -5.346 -10.516 1.00 0.00 H new ATOM 161 N ASP A 14 -4.507 -5.493 -11.690 1.00 0.00 N ATOM 162 CA ASP A 14 -3.429 -6.033 -12.510 1.00 0.00 C ATOM 163 C ASP A 14 -3.087 -5.083 -13.652 1.00 0.00 C ATOM 164 O ASP A 14 -2.022 -5.187 -14.262 1.00 0.00 O ATOM 165 CB ASP A 14 -3.822 -7.402 -13.069 1.00 0.00 C ATOM 166 CG ASP A 14 -5.275 -7.455 -13.501 1.00 0.00 C ATOM 167 OD1 ASP A 14 -5.798 -6.414 -13.949 1.00 0.00 O ATOM 168 OD2 ASP A 14 -5.887 -8.538 -13.390 1.00 0.00 O ATOM 0 H ASP A 14 -5.330 -6.092 -11.628 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.547 -6.146 -11.879 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.184 -7.641 -13.920 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.643 -8.166 -12.312 1.00 0.00 H new ATOM 173 N ASP A 15 -3.995 -4.157 -13.937 1.00 0.00 N ATOM 174 CA ASP A 15 -3.790 -3.187 -15.007 1.00 0.00 C ATOM 175 C ASP A 15 -3.751 -1.766 -14.452 1.00 0.00 C ATOM 176 O ASP A 15 -2.939 -0.945 -14.878 1.00 0.00 O ATOM 177 CB ASP A 15 -4.897 -3.309 -16.055 1.00 0.00 C ATOM 178 CG ASP A 15 -4.922 -4.674 -16.715 1.00 0.00 C ATOM 179 OD1 ASP A 15 -3.834 -5.248 -16.931 1.00 0.00 O ATOM 180 OD2 ASP A 15 -6.029 -5.168 -17.015 1.00 0.00 O ATOM 0 H ASP A 15 -4.881 -4.057 -13.442 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.830 -3.400 -15.478 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.861 -3.119 -15.584 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.758 -2.543 -16.817 1.00 0.00 H new ATOM 185 N SER A 16 -4.636 -1.483 -13.502 1.00 0.00 N ATOM 186 CA SER A 16 -4.707 -0.161 -12.893 1.00 0.00 C ATOM 187 C SER A 16 -3.449 0.131 -12.080 1.00 0.00 C ATOM 188 O SER A 16 -3.110 1.289 -11.834 1.00 0.00 O ATOM 189 CB SER A 16 -5.943 -0.054 -11.997 1.00 0.00 C ATOM 190 OG SER A 16 -6.419 1.280 -11.942 1.00 0.00 O ATOM 0 H SER A 16 -5.314 -2.152 -13.137 1.00 0.00 H new ATOM 0 HA SER A 16 -4.782 0.576 -13.692 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.728 -0.708 -12.376 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.698 -0.398 -10.992 1.00 0.00 H new ATOM 0 HG SER A 16 -7.209 1.322 -11.364 1.00 0.00 H new ATOM 196 N PHE A 17 -2.761 -0.927 -11.666 1.00 0.00 N ATOM 197 CA PHE A 17 -1.541 -0.786 -10.880 1.00 0.00 C ATOM 198 C PHE A 17 -0.553 0.148 -11.572 1.00 0.00 C ATOM 199 O PHE A 17 0.117 0.952 -10.923 1.00 0.00 O ATOM 200 CB PHE A 17 -0.894 -2.154 -10.654 1.00 0.00 C ATOM 201 CG PHE A 17 0.550 -2.074 -10.247 1.00 0.00 C ATOM 202 CD1 PHE A 17 1.508 -1.611 -11.134 1.00 0.00 C ATOM 203 CD2 PHE A 17 0.948 -2.462 -8.978 1.00 0.00 C ATOM 204 CE1 PHE A 17 2.838 -1.538 -10.762 1.00 0.00 C ATOM 205 CE2 PHE A 17 2.276 -2.390 -8.601 1.00 0.00 C ATOM 206 CZ PHE A 17 3.222 -1.926 -9.494 1.00 0.00 C ATOM 0 H PHE A 17 -3.027 -1.892 -11.862 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.808 -0.354 -9.916 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.451 -2.688 -9.884 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.973 -2.740 -11.569 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.213 -1.304 -12.127 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.212 -2.825 -8.275 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.576 -1.178 -11.463 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.574 -2.696 -7.609 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.260 -1.867 -9.201 1.00 0.00 H new ATOM 216 N ASP A 18 -0.469 0.036 -12.893 1.00 0.00 N ATOM 217 CA ASP A 18 0.436 0.871 -13.674 1.00 0.00 C ATOM 218 C ASP A 18 -0.212 2.211 -14.008 1.00 0.00 C ATOM 219 O ASP A 18 0.446 3.252 -13.996 1.00 0.00 O ATOM 220 CB ASP A 18 0.843 0.152 -14.962 1.00 0.00 C ATOM 221 CG ASP A 18 -0.237 -0.781 -15.470 1.00 0.00 C ATOM 222 OD1 ASP A 18 -0.275 -1.946 -15.021 1.00 0.00 O ATOM 223 OD2 ASP A 18 -1.046 -0.348 -16.318 1.00 0.00 O ATOM 0 H ASP A 18 -1.016 -0.624 -13.445 1.00 0.00 H new ATOM 0 HA ASP A 18 1.327 1.058 -13.074 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.072 0.891 -15.730 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.756 -0.416 -14.784 1.00 0.00 H new ATOM 228 N LYS A 19 -1.506 2.178 -14.308 1.00 0.00 N ATOM 229 CA LYS A 19 -2.245 3.389 -14.645 1.00 0.00 C ATOM 230 C LYS A 19 -2.366 4.308 -13.434 1.00 0.00 C ATOM 231 O LYS A 19 -2.656 5.495 -13.571 1.00 0.00 O ATOM 232 CB LYS A 19 -3.638 3.031 -15.169 1.00 0.00 C ATOM 233 CG LYS A 19 -3.623 1.995 -16.279 1.00 0.00 C ATOM 234 CD LYS A 19 -5.023 1.713 -16.798 1.00 0.00 C ATOM 235 CE LYS A 19 -4.990 1.134 -18.204 1.00 0.00 C ATOM 236 NZ LYS A 19 -4.895 -0.352 -18.191 1.00 0.00 N ATOM 0 H LYS A 19 -2.065 1.325 -14.325 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.694 3.916 -15.424 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.243 2.657 -14.343 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.123 3.936 -15.535 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.995 2.346 -17.097 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.178 1.071 -15.910 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.527 1.016 -16.128 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.605 2.634 -16.796 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.889 1.436 -18.742 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.140 1.547 -18.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.875 -0.707 -19.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.024 -0.640 -17.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.719 -0.748 -17.695 1.00 0.00 H new ATOM 250 N ASN A 20 -2.141 3.750 -12.249 1.00 0.00 N ATOM 251 CA ASN A 20 -2.225 4.520 -11.013 1.00 0.00 C ATOM 252 C ASN A 20 -0.834 4.798 -10.451 1.00 0.00 C ATOM 253 O ASN A 20 -0.627 5.775 -9.731 1.00 0.00 O ATOM 254 CB ASN A 20 -3.066 3.772 -9.977 1.00 0.00 C ATOM 255 CG ASN A 20 -4.555 3.916 -10.228 1.00 0.00 C ATOM 256 OD1 ASN A 20 -5.255 4.613 -9.493 1.00 0.00 O ATOM 257 ND2 ASN A 20 -5.046 3.256 -11.270 1.00 0.00 N ATOM 0 H ASN A 20 -1.899 2.768 -12.118 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.704 5.473 -11.239 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.799 2.715 -9.990 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.830 4.148 -8.981 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.041 3.315 -11.488 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.429 2.690 -11.852 1.00 0.00 H new ATOM 264 N VAL A 21 0.117 3.931 -10.784 1.00 0.00 N ATOM 265 CA VAL A 21 1.489 4.084 -10.314 1.00 0.00 C ATOM 266 C VAL A 21 2.363 4.746 -11.374 1.00 0.00 C ATOM 267 O VAL A 21 2.851 5.860 -11.184 1.00 0.00 O ATOM 268 CB VAL A 21 2.106 2.725 -9.931 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.561 2.895 -9.524 1.00 0.00 C ATOM 270 CG2 VAL A 21 1.303 2.072 -8.816 1.00 0.00 C ATOM 0 H VAL A 21 -0.037 3.116 -11.377 1.00 0.00 H new ATOM 0 HA VAL A 21 1.451 4.720 -9.430 1.00 0.00 H new ATOM 0 HB VAL A 21 2.073 2.071 -10.802 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.980 1.925 -9.257 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.125 3.317 -10.356 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.623 3.565 -8.667 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.752 1.113 -8.558 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.303 2.721 -7.940 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.278 1.914 -9.151 1.00 0.00 H new ATOM 280 N LEU A 22 2.556 4.052 -12.491 1.00 0.00 N ATOM 281 CA LEU A 22 3.371 4.573 -13.583 1.00 0.00 C ATOM 282 C LEU A 22 2.790 5.876 -14.123 1.00 0.00 C ATOM 283 O LEU A 22 3.483 6.890 -14.202 1.00 0.00 O ATOM 284 CB LEU A 22 3.470 3.541 -14.708 1.00 0.00 C ATOM 285 CG LEU A 22 3.869 2.126 -14.287 1.00 0.00 C ATOM 286 CD1 LEU A 22 3.909 1.201 -15.494 1.00 0.00 C ATOM 287 CD2 LEU A 22 5.216 2.140 -13.579 1.00 0.00 C ATOM 0 H LEU A 22 2.160 3.128 -12.664 1.00 0.00 H new ATOM 0 HA LEU A 22 4.369 4.776 -13.194 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.505 3.490 -15.213 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.194 3.899 -15.440 1.00 0.00 H new ATOM 0 HG LEU A 22 3.119 1.750 -13.591 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.195 0.199 -15.175 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.924 1.167 -15.959 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.637 1.574 -16.214 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.484 1.125 -13.287 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.977 2.537 -14.252 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.154 2.769 -12.691 1.00 0.00 H new ATOM 299 N ASP A 23 1.514 5.841 -14.491 1.00 0.00 N ATOM 300 CA ASP A 23 0.838 7.020 -15.020 1.00 0.00 C ATOM 301 C ASP A 23 0.979 8.201 -14.065 1.00 0.00 C ATOM 302 O ASP A 23 0.728 9.347 -14.439 1.00 0.00 O ATOM 303 CB ASP A 23 -0.641 6.719 -15.265 1.00 0.00 C ATOM 304 CG ASP A 23 -1.218 7.538 -16.403 1.00 0.00 C ATOM 305 OD1 ASP A 23 -1.631 8.690 -16.155 1.00 0.00 O ATOM 306 OD2 ASP A 23 -1.257 7.026 -17.542 1.00 0.00 O ATOM 0 H ASP A 23 0.927 5.009 -14.433 1.00 0.00 H new ATOM 0 HA ASP A 23 1.308 7.284 -15.967 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.761 5.659 -15.487 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.205 6.920 -14.354 1.00 0.00 H new ATOM 311 N SER A 24 1.381 7.914 -12.831 1.00 0.00 N ATOM 312 CA SER A 24 1.550 8.952 -11.821 1.00 0.00 C ATOM 313 C SER A 24 3.023 9.125 -11.462 1.00 0.00 C ATOM 314 O SER A 24 3.733 8.148 -11.226 1.00 0.00 O ATOM 315 CB SER A 24 0.744 8.609 -10.567 1.00 0.00 C ATOM 316 OG SER A 24 0.514 9.763 -9.777 1.00 0.00 O ATOM 0 H SER A 24 1.596 6.971 -12.507 1.00 0.00 H new ATOM 0 HA SER A 24 1.182 9.891 -12.235 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.209 8.165 -10.854 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.279 7.863 -9.980 1.00 0.00 H new ATOM 0 HG SER A 24 -0.004 9.517 -8.982 1.00 0.00 H new ATOM 322 N GLU A 25 3.473 10.375 -11.422 1.00 0.00 N ATOM 323 CA GLU A 25 4.861 10.676 -11.092 1.00 0.00 C ATOM 324 C GLU A 25 5.055 10.762 -9.581 1.00 0.00 C ATOM 325 O GLU A 25 5.949 11.456 -9.097 1.00 0.00 O ATOM 326 CB GLU A 25 5.291 11.990 -11.748 1.00 0.00 C ATOM 327 CG GLU A 25 4.457 13.185 -11.319 1.00 0.00 C ATOM 328 CD GLU A 25 4.662 14.391 -12.216 1.00 0.00 C ATOM 329 OE1 GLU A 25 4.394 14.279 -13.430 1.00 0.00 O ATOM 330 OE2 GLU A 25 5.090 15.446 -11.703 1.00 0.00 O ATOM 0 H GLU A 25 2.897 11.195 -11.614 1.00 0.00 H new ATOM 0 HA GLU A 25 5.482 9.866 -11.475 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.337 12.182 -11.507 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.228 11.883 -12.831 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.403 12.908 -11.324 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.712 13.452 -10.293 1.00 0.00 H new ATOM 337 N ASP A 26 4.210 10.052 -8.841 1.00 0.00 N ATOM 338 CA ASP A 26 4.287 10.047 -7.385 1.00 0.00 C ATOM 339 C ASP A 26 4.650 8.659 -6.865 1.00 0.00 C ATOM 340 O ASP A 26 4.450 7.656 -7.550 1.00 0.00 O ATOM 341 CB ASP A 26 2.957 10.500 -6.780 1.00 0.00 C ATOM 342 CG ASP A 26 2.630 11.942 -7.116 1.00 0.00 C ATOM 343 OD1 ASP A 26 3.086 12.422 -8.175 1.00 0.00 O ATOM 344 OD2 ASP A 26 1.919 12.591 -6.320 1.00 0.00 O ATOM 0 H ASP A 26 3.464 9.473 -9.226 1.00 0.00 H new ATOM 0 HA ASP A 26 5.069 10.744 -7.085 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.157 9.855 -7.144 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.995 10.382 -5.697 1.00 0.00 H new ATOM 349 N VAL A 27 5.185 8.610 -5.649 1.00 0.00 N ATOM 350 CA VAL A 27 5.575 7.345 -5.037 1.00 0.00 C ATOM 351 C VAL A 27 4.353 6.539 -4.614 1.00 0.00 C ATOM 352 O VAL A 27 3.480 7.041 -3.905 1.00 0.00 O ATOM 353 CB VAL A 27 6.478 7.571 -3.809 1.00 0.00 C ATOM 354 CG1 VAL A 27 6.782 6.250 -3.119 1.00 0.00 C ATOM 355 CG2 VAL A 27 7.762 8.278 -4.216 1.00 0.00 C ATOM 0 H VAL A 27 5.358 9.431 -5.069 1.00 0.00 H new ATOM 0 HA VAL A 27 6.131 6.787 -5.790 1.00 0.00 H new ATOM 0 HB VAL A 27 5.948 8.208 -3.102 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.421 6.430 -2.254 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.851 5.787 -2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.293 5.585 -3.815 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.388 8.430 -3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.299 7.668 -4.943 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.521 9.244 -4.661 1.00 0.00 H new ATOM 365 N TRP A 28 4.297 5.286 -5.052 1.00 0.00 N ATOM 366 CA TRP A 28 3.181 4.409 -4.718 1.00 0.00 C ATOM 367 C TRP A 28 3.652 3.221 -3.887 1.00 0.00 C ATOM 368 O TRP A 28 4.397 2.370 -4.371 1.00 0.00 O ATOM 369 CB TRP A 28 2.494 3.916 -5.992 1.00 0.00 C ATOM 370 CG TRP A 28 1.500 4.891 -6.547 1.00 0.00 C ATOM 371 CD1 TRP A 28 1.763 5.958 -7.358 1.00 0.00 C ATOM 372 CD2 TRP A 28 0.085 4.889 -6.330 1.00 0.00 C ATOM 373 NE1 TRP A 28 0.597 6.619 -7.658 1.00 0.00 N ATOM 374 CE2 TRP A 28 -0.447 5.983 -7.040 1.00 0.00 C ATOM 375 CE3 TRP A 28 -0.785 4.069 -5.606 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -1.808 6.277 -7.045 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -2.136 4.362 -5.612 1.00 0.00 C ATOM 378 CH2 TRP A 28 -2.637 5.457 -6.328 1.00 0.00 C ATOM 0 H TRP A 28 5.011 4.855 -5.639 1.00 0.00 H new ATOM 0 HA TRP A 28 2.466 4.981 -4.127 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.252 3.710 -6.748 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.989 2.973 -5.782 1.00 0.00 H new ATOM 0 HD1 TRP A 28 2.744 6.240 -7.711 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.521 7.449 -8.246 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.409 3.222 -5.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.196 7.122 -7.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -2.817 3.736 -5.055 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.698 5.658 -6.314 1.00 0.00 H new ATOM 389 N MET A 29 3.212 3.169 -2.633 1.00 0.00 N ATOM 390 CA MET A 29 3.589 2.083 -1.736 1.00 0.00 C ATOM 391 C MET A 29 2.619 0.913 -1.862 1.00 0.00 C ATOM 392 O MET A 29 1.530 0.932 -1.289 1.00 0.00 O ATOM 393 CB MET A 29 3.624 2.578 -0.289 1.00 0.00 C ATOM 394 CG MET A 29 4.979 3.120 0.136 1.00 0.00 C ATOM 395 SD MET A 29 5.024 3.595 1.874 1.00 0.00 S ATOM 396 CE MET A 29 6.306 2.507 2.490 1.00 0.00 C ATOM 0 H MET A 29 2.595 3.866 -2.216 1.00 0.00 H new ATOM 0 HA MET A 29 4.584 1.739 -2.019 1.00 0.00 H new ATOM 0 HB2 MET A 29 2.874 3.359 -0.163 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.346 1.758 0.373 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.742 2.365 -0.050 1.00 0.00 H new ATOM 0 HG3 MET A 29 5.229 3.984 -0.479 1.00 0.00 H new ATOM 0 HE1 MET A 29 6.451 2.682 3.556 1.00 0.00 H new ATOM 0 HE2 MET A 29 6.011 1.470 2.329 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.238 2.706 1.960 1.00 0.00 H new ATOM 406 N VAL A 30 3.022 -0.106 -2.616 1.00 0.00 N ATOM 407 CA VAL A 30 2.189 -1.285 -2.816 1.00 0.00 C ATOM 408 C VAL A 30 2.509 -2.365 -1.789 1.00 0.00 C ATOM 409 O VAL A 30 3.646 -2.826 -1.693 1.00 0.00 O ATOM 410 CB VAL A 30 2.372 -1.867 -4.231 1.00 0.00 C ATOM 411 CG1 VAL A 30 1.610 -3.176 -4.372 1.00 0.00 C ATOM 412 CG2 VAL A 30 1.923 -0.864 -5.282 1.00 0.00 C ATOM 0 H VAL A 30 3.920 -0.138 -3.098 1.00 0.00 H new ATOM 0 HA VAL A 30 1.154 -0.966 -2.693 1.00 0.00 H new ATOM 0 HB VAL A 30 3.431 -2.072 -4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.751 -3.572 -5.378 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.984 -3.895 -3.643 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.549 -3.000 -4.197 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.059 -1.292 -6.275 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.870 -0.626 -5.131 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.517 0.046 -5.194 1.00 0.00 H new ATOM 422 N GLU A 31 1.498 -2.763 -1.023 1.00 0.00 N ATOM 423 CA GLU A 31 1.673 -3.790 -0.002 1.00 0.00 C ATOM 424 C GLU A 31 0.733 -4.967 -0.247 1.00 0.00 C ATOM 425 O GLU A 31 -0.451 -4.910 0.085 1.00 0.00 O ATOM 426 CB GLU A 31 1.422 -3.204 1.389 1.00 0.00 C ATOM 427 CG GLU A 31 1.654 -4.195 2.518 1.00 0.00 C ATOM 428 CD GLU A 31 1.535 -3.556 3.888 1.00 0.00 C ATOM 429 OE1 GLU A 31 0.427 -3.095 4.233 1.00 0.00 O ATOM 430 OE2 GLU A 31 2.549 -3.518 4.615 1.00 0.00 O ATOM 0 H GLU A 31 0.551 -2.391 -1.090 1.00 0.00 H new ATOM 0 HA GLU A 31 2.700 -4.150 -0.057 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.073 -2.342 1.534 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.396 -2.840 1.441 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.933 -5.008 2.437 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.645 -4.636 2.412 1.00 0.00 H new ATOM 437 N PHE A 32 1.270 -6.033 -0.832 1.00 0.00 N ATOM 438 CA PHE A 32 0.480 -7.223 -1.124 1.00 0.00 C ATOM 439 C PHE A 32 0.167 -7.996 0.155 1.00 0.00 C ATOM 440 O PHE A 32 1.060 -8.286 0.952 1.00 0.00 O ATOM 441 CB PHE A 32 1.224 -8.126 -2.109 1.00 0.00 C ATOM 442 CG PHE A 32 1.720 -7.402 -3.328 1.00 0.00 C ATOM 443 CD1 PHE A 32 2.900 -6.677 -3.288 1.00 0.00 C ATOM 444 CD2 PHE A 32 1.006 -7.447 -4.515 1.00 0.00 C ATOM 445 CE1 PHE A 32 3.358 -6.010 -4.408 1.00 0.00 C ATOM 446 CE2 PHE A 32 1.460 -6.781 -5.639 1.00 0.00 C ATOM 447 CZ PHE A 32 2.638 -6.063 -5.585 1.00 0.00 C ATOM 0 H PHE A 32 2.248 -6.097 -1.113 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.460 -6.903 -1.574 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.071 -8.586 -1.600 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.562 -8.934 -2.420 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.468 -6.633 -2.371 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.085 -8.008 -4.563 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.279 -5.447 -4.363 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.894 -6.823 -6.558 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.996 -5.544 -6.462 1.00 0.00 H new ATOM 457 N TYR A 33 -1.105 -8.325 0.344 1.00 0.00 N ATOM 458 CA TYR A 33 -1.537 -9.061 1.526 1.00 0.00 C ATOM 459 C TYR A 33 -2.514 -10.171 1.150 1.00 0.00 C ATOM 460 O TYR A 33 -2.892 -10.313 -0.012 1.00 0.00 O ATOM 461 CB TYR A 33 -2.190 -8.112 2.533 1.00 0.00 C ATOM 462 CG TYR A 33 -3.553 -7.618 2.104 1.00 0.00 C ATOM 463 CD1 TYR A 33 -4.677 -8.426 2.228 1.00 0.00 C ATOM 464 CD2 TYR A 33 -3.717 -6.345 1.574 1.00 0.00 C ATOM 465 CE1 TYR A 33 -5.924 -7.980 1.837 1.00 0.00 C ATOM 466 CE2 TYR A 33 -4.961 -5.889 1.182 1.00 0.00 C ATOM 467 CZ TYR A 33 -6.061 -6.711 1.315 1.00 0.00 C ATOM 468 OH TYR A 33 -7.302 -6.261 0.925 1.00 0.00 O ATOM 0 H TYR A 33 -1.856 -8.094 -0.306 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.657 -9.515 1.982 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.283 -8.621 3.492 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.535 -7.255 2.689 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.573 -9.420 2.637 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.857 -5.700 1.466 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.787 -8.621 1.939 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.072 -4.895 0.774 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.225 -5.347 0.580 1.00 0.00 H new ATOM 478 N ALA A 34 -2.917 -10.957 2.143 1.00 0.00 N ATOM 479 CA ALA A 34 -3.851 -12.053 1.919 1.00 0.00 C ATOM 480 C ALA A 34 -5.084 -11.914 2.807 1.00 0.00 C ATOM 481 O ALA A 34 -4.988 -11.674 4.011 1.00 0.00 O ATOM 482 CB ALA A 34 -3.167 -13.389 2.168 1.00 0.00 C ATOM 0 H ALA A 34 -2.611 -10.855 3.111 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.177 -12.013 0.880 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.877 -14.199 1.997 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.322 -13.497 1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.812 -13.430 3.198 1.00 0.00 H new ATOM 488 N PRO A 35 -6.271 -12.067 2.201 1.00 0.00 N ATOM 489 CA PRO A 35 -7.545 -11.963 2.918 1.00 0.00 C ATOM 490 C PRO A 35 -7.771 -13.131 3.871 1.00 0.00 C ATOM 491 O PRO A 35 -8.720 -13.130 4.655 1.00 0.00 O ATOM 492 CB PRO A 35 -8.586 -11.979 1.796 1.00 0.00 C ATOM 493 CG PRO A 35 -7.921 -12.698 0.673 1.00 0.00 C ATOM 494 CD PRO A 35 -6.460 -12.354 0.769 1.00 0.00 C ATOM 0 HA PRO A 35 -7.588 -11.073 3.545 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.497 -12.489 2.108 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -8.871 -10.968 1.505 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.075 -13.774 0.753 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.333 -12.388 -0.287 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.830 -13.180 0.438 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.208 -11.493 0.150 1.00 0.00 H new ATOM 502 N TRP A 36 -6.893 -14.125 3.800 1.00 0.00 N ATOM 503 CA TRP A 36 -6.997 -15.300 4.658 1.00 0.00 C ATOM 504 C TRP A 36 -5.735 -15.477 5.494 1.00 0.00 C ATOM 505 O TRP A 36 -5.445 -16.574 5.973 1.00 0.00 O ATOM 506 CB TRP A 36 -7.245 -16.552 3.815 1.00 0.00 C ATOM 507 CG TRP A 36 -6.530 -16.533 2.498 1.00 0.00 C ATOM 508 CD1 TRP A 36 -7.097 -16.437 1.259 1.00 0.00 C ATOM 509 CD2 TRP A 36 -5.116 -16.612 2.289 1.00 0.00 C ATOM 510 NE1 TRP A 36 -6.120 -16.453 0.293 1.00 0.00 N ATOM 511 CE2 TRP A 36 -4.897 -16.559 0.899 1.00 0.00 C ATOM 512 CE3 TRP A 36 -4.014 -16.722 3.141 1.00 0.00 C ATOM 513 CZ2 TRP A 36 -3.620 -16.612 0.345 1.00 0.00 C ATOM 514 CZ3 TRP A 36 -2.748 -16.775 2.590 1.00 0.00 C ATOM 515 CH2 TRP A 36 -2.560 -16.720 1.202 1.00 0.00 C ATOM 0 H TRP A 36 -6.101 -14.141 3.157 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.840 -15.152 5.333 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.929 -17.429 4.379 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -8.315 -16.656 3.638 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.157 -16.360 1.067 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.280 -16.395 -0.713 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.149 -16.765 4.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.472 -16.569 -0.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.889 -16.860 3.239 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.558 -16.764 0.802 1.00 0.00 H new ATOM 526 N CYS A 37 -4.988 -14.392 5.667 1.00 0.00 N ATOM 527 CA CYS A 37 -3.755 -14.428 6.446 1.00 0.00 C ATOM 528 C CYS A 37 -3.837 -13.481 7.639 1.00 0.00 C ATOM 529 O CYS A 37 -4.153 -12.302 7.487 1.00 0.00 O ATOM 530 CB CYS A 37 -2.560 -14.058 5.566 1.00 0.00 C ATOM 531 SG CYS A 37 -0.959 -14.542 6.253 1.00 0.00 S ATOM 0 H CYS A 37 -5.215 -13.477 5.278 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.621 -15.443 6.820 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.682 -14.528 4.590 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.562 -12.980 5.403 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.012 -14.189 5.436 1.00 0.00 H new ATOM 537 N GLY A 38 -3.552 -14.006 8.826 1.00 0.00 N ATOM 538 CA GLY A 38 -3.601 -13.194 10.028 1.00 0.00 C ATOM 539 C GLY A 38 -2.626 -12.034 9.984 1.00 0.00 C ATOM 540 O GLY A 38 -3.018 -10.878 10.145 1.00 0.00 O ATOM 0 H GLY A 38 -3.288 -14.980 8.977 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.612 -12.810 10.162 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.380 -13.818 10.894 1.00 0.00 H new ATOM 544 N HIS A 39 -1.352 -12.342 9.766 1.00 0.00 N ATOM 545 CA HIS A 39 -0.317 -11.315 9.702 1.00 0.00 C ATOM 546 C HIS A 39 -0.856 -10.040 9.061 1.00 0.00 C ATOM 547 O HIS A 39 -0.536 -8.933 9.495 1.00 0.00 O ATOM 548 CB HIS A 39 0.889 -11.825 8.914 1.00 0.00 C ATOM 549 CG HIS A 39 2.192 -11.245 9.371 1.00 0.00 C ATOM 550 ND1 HIS A 39 2.746 -10.110 8.817 1.00 0.00 N ATOM 551 CD2 HIS A 39 3.051 -11.648 10.337 1.00 0.00 C ATOM 552 CE1 HIS A 39 3.890 -9.841 9.421 1.00 0.00 C ATOM 553 NE2 HIS A 39 4.097 -10.759 10.348 1.00 0.00 N ATOM 0 H HIS A 39 -1.011 -13.294 9.631 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.005 -11.085 10.721 1.00 0.00 H new ATOM 0 HB2 HIS A 39 0.935 -12.911 8.998 1.00 0.00 H new ATOM 0 HB3 HIS A 39 0.748 -11.593 7.858 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.935 -12.509 10.979 1.00 0.00 H new ATOM 0 HE1 HIS A 39 4.544 -9.012 9.195 1.00 0.00 H new ATOM 0 HE2 HIS A 39 4.903 -10.801 10.971 1.00 0.00 H new ATOM 562 N CYS A 40 -1.675 -10.203 8.028 1.00 0.00 N ATOM 563 CA CYS A 40 -2.257 -9.065 7.326 1.00 0.00 C ATOM 564 C CYS A 40 -3.389 -8.445 8.140 1.00 0.00 C ATOM 565 O CYS A 40 -3.385 -7.245 8.416 1.00 0.00 O ATOM 566 CB CYS A 40 -2.777 -9.496 5.954 1.00 0.00 C ATOM 567 SG CYS A 40 -4.116 -8.464 5.314 1.00 0.00 S ATOM 0 H CYS A 40 -1.951 -11.113 7.658 1.00 0.00 H new ATOM 0 HA CYS A 40 -1.477 -8.316 7.192 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.951 -9.482 5.243 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.126 -10.527 6.017 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.087 -8.472 4.014 1.00 0.00 H new ATOM 573 N LYS A 41 -4.357 -9.271 8.521 1.00 0.00 N ATOM 574 CA LYS A 41 -5.497 -8.806 9.303 1.00 0.00 C ATOM 575 C LYS A 41 -5.045 -7.862 10.413 1.00 0.00 C ATOM 576 O LYS A 41 -5.664 -6.824 10.647 1.00 0.00 O ATOM 577 CB LYS A 41 -6.248 -9.995 9.905 1.00 0.00 C ATOM 578 CG LYS A 41 -6.981 -10.836 8.874 1.00 0.00 C ATOM 579 CD LYS A 41 -7.501 -12.130 9.477 1.00 0.00 C ATOM 580 CE LYS A 41 -8.715 -11.885 10.360 1.00 0.00 C ATOM 581 NZ LYS A 41 -8.811 -12.882 11.462 1.00 0.00 N ATOM 0 H LYS A 41 -4.375 -10.267 8.301 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.166 -8.262 8.636 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.540 -10.627 10.441 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.966 -9.627 10.638 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.813 -10.265 8.463 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.310 -11.063 8.045 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.764 -12.824 8.679 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.713 -12.602 10.063 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.660 -10.882 10.782 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.620 -11.927 9.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.651 -12.680 12.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.889 -13.838 11.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.960 -12.825 12.057 1.00 0.00 H new ATOM 595 N ASN A 42 -3.964 -8.228 11.092 1.00 0.00 N ATOM 596 CA ASN A 42 -3.429 -7.413 12.177 1.00 0.00 C ATOM 597 C ASN A 42 -2.745 -6.163 11.632 1.00 0.00 C ATOM 598 O ASN A 42 -2.649 -5.145 12.319 1.00 0.00 O ATOM 599 CB ASN A 42 -2.439 -8.226 13.014 1.00 0.00 C ATOM 600 CG ASN A 42 -1.026 -8.156 12.467 1.00 0.00 C ATOM 601 OD1 ASN A 42 -0.500 -9.140 11.948 1.00 0.00 O ATOM 602 ND2 ASN A 42 -0.405 -6.988 12.583 1.00 0.00 N ATOM 0 H ASN A 42 -3.440 -9.084 10.910 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.261 -7.104 12.810 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.447 -7.858 14.040 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.762 -9.266 13.046 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.547 -6.880 12.234 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.880 -6.199 13.021 1.00 0.00 H new ATOM 609 N LEU A 43 -2.273 -6.246 10.393 1.00 0.00 N ATOM 610 CA LEU A 43 -1.598 -5.122 9.755 1.00 0.00 C ATOM 611 C LEU A 43 -2.601 -4.213 9.051 1.00 0.00 C ATOM 612 O LEU A 43 -2.305 -3.055 8.760 1.00 0.00 O ATOM 613 CB LEU A 43 -0.560 -5.627 8.752 1.00 0.00 C ATOM 614 CG LEU A 43 -0.239 -4.690 7.587 1.00 0.00 C ATOM 615 CD1 LEU A 43 0.615 -3.523 8.061 1.00 0.00 C ATOM 616 CD2 LEU A 43 0.464 -5.447 6.470 1.00 0.00 C ATOM 0 H LEU A 43 -2.345 -7.080 9.810 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.094 -4.545 10.531 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.365 -5.834 9.290 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.910 -6.575 8.343 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.176 -4.294 7.196 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.834 -2.867 7.219 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.076 -2.964 8.826 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.548 -3.901 8.478 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.684 -4.764 5.650 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.394 -5.872 6.848 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.182 -6.248 6.111 1.00 0.00 H new ATOM 628 N GLU A 44 -3.789 -4.747 8.783 1.00 0.00 N ATOM 629 CA GLU A 44 -4.836 -3.983 8.115 1.00 0.00 C ATOM 630 C GLU A 44 -4.865 -2.543 8.620 1.00 0.00 C ATOM 631 O GLU A 44 -4.725 -1.588 7.857 1.00 0.00 O ATOM 632 CB GLU A 44 -6.199 -4.641 8.338 1.00 0.00 C ATOM 633 CG GLU A 44 -7.352 -3.652 8.384 1.00 0.00 C ATOM 634 CD GLU A 44 -7.583 -2.962 7.053 1.00 0.00 C ATOM 635 OE1 GLU A 44 -6.913 -1.942 6.789 1.00 0.00 O ATOM 636 OE2 GLU A 44 -8.433 -3.444 6.276 1.00 0.00 O ATOM 0 H GLU A 44 -4.050 -5.705 9.018 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.617 -3.971 7.047 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.380 -5.361 7.540 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.174 -5.201 9.273 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.262 -4.174 8.681 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.151 -2.901 9.148 1.00 0.00 H new ATOM 643 N PRO A 45 -5.051 -2.383 9.939 1.00 0.00 N ATOM 644 CA PRO A 45 -5.104 -1.064 10.577 1.00 0.00 C ATOM 645 C PRO A 45 -3.746 -0.370 10.585 1.00 0.00 C ATOM 646 O PRO A 45 -3.654 0.836 10.358 1.00 0.00 O ATOM 647 CB PRO A 45 -5.552 -1.378 12.006 1.00 0.00 C ATOM 648 CG PRO A 45 -5.117 -2.784 12.239 1.00 0.00 C ATOM 649 CD PRO A 45 -5.225 -3.477 10.909 1.00 0.00 C ATOM 0 HA PRO A 45 -5.769 -0.382 10.048 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.093 -0.698 12.723 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.632 -1.275 12.114 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.095 -2.819 12.615 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.748 -3.269 12.984 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.459 -4.243 10.792 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -6.190 -3.970 10.790 1.00 0.00 H new ATOM 657 N GLU A 46 -2.695 -1.140 10.848 1.00 0.00 N ATOM 658 CA GLU A 46 -1.342 -0.597 10.886 1.00 0.00 C ATOM 659 C GLU A 46 -0.981 0.059 9.556 1.00 0.00 C ATOM 660 O GLU A 46 -0.213 1.020 9.515 1.00 0.00 O ATOM 661 CB GLU A 46 -0.334 -1.701 11.213 1.00 0.00 C ATOM 662 CG GLU A 46 -0.372 -2.151 12.664 1.00 0.00 C ATOM 663 CD GLU A 46 -1.759 -2.052 13.268 1.00 0.00 C ATOM 664 OE1 GLU A 46 -2.328 -0.940 13.269 1.00 0.00 O ATOM 665 OE2 GLU A 46 -2.276 -3.086 13.742 1.00 0.00 O ATOM 0 H GLU A 46 -2.754 -2.140 11.038 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.305 0.162 11.668 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.527 -2.560 10.570 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.669 -1.346 10.978 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.023 -3.182 12.730 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.319 -1.543 13.248 1.00 0.00 H new ATOM 672 N TRP A 47 -1.541 -0.467 8.473 1.00 0.00 N ATOM 673 CA TRP A 47 -1.278 0.066 7.142 1.00 0.00 C ATOM 674 C TRP A 47 -2.164 1.273 6.854 1.00 0.00 C ATOM 675 O TRP A 47 -1.734 2.232 6.213 1.00 0.00 O ATOM 676 CB TRP A 47 -1.507 -1.014 6.083 1.00 0.00 C ATOM 677 CG TRP A 47 -1.077 -0.599 4.708 1.00 0.00 C ATOM 678 CD1 TRP A 47 -1.887 -0.234 3.671 1.00 0.00 C ATOM 679 CD2 TRP A 47 0.267 -0.509 4.222 1.00 0.00 C ATOM 680 NE1 TRP A 47 -1.128 0.077 2.569 1.00 0.00 N ATOM 681 CE2 TRP A 47 0.196 -0.082 2.881 1.00 0.00 C ATOM 682 CE3 TRP A 47 1.522 -0.745 4.788 1.00 0.00 C ATOM 683 CZ2 TRP A 47 1.334 0.111 2.101 1.00 0.00 C ATOM 684 CZ3 TRP A 47 2.650 -0.553 4.013 1.00 0.00 C ATOM 685 CH2 TRP A 47 2.550 -0.127 2.682 1.00 0.00 C ATOM 0 H TRP A 47 -2.180 -1.262 8.491 1.00 0.00 H new ATOM 0 HA TRP A 47 -0.237 0.386 7.105 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -0.964 -1.914 6.369 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -2.565 -1.273 6.062 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.966 -0.195 3.711 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.492 0.378 1.665 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.609 -1.072 5.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.259 0.437 1.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 3.625 -0.734 4.441 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.450 0.016 2.103 1.00 0.00 H new ATOM 696 N ALA A 48 -3.403 1.219 7.332 1.00 0.00 N ATOM 697 CA ALA A 48 -4.349 2.310 7.128 1.00 0.00 C ATOM 698 C ALA A 48 -3.834 3.605 7.745 1.00 0.00 C ATOM 699 O ALA A 48 -3.705 4.621 7.063 1.00 0.00 O ATOM 700 CB ALA A 48 -5.706 1.947 7.711 1.00 0.00 C ATOM 0 H ALA A 48 -3.775 0.432 7.863 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.458 2.469 6.055 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.402 2.770 7.552 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.085 1.051 7.220 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.604 1.759 8.780 1.00 0.00 H new ATOM 706 N ALA A 49 -3.542 3.563 9.041 1.00 0.00 N ATOM 707 CA ALA A 49 -3.040 4.733 9.750 1.00 0.00 C ATOM 708 C ALA A 49 -1.826 5.325 9.042 1.00 0.00 C ATOM 709 O ALA A 49 -1.768 6.528 8.789 1.00 0.00 O ATOM 710 CB ALA A 49 -2.692 4.372 11.186 1.00 0.00 C ATOM 0 H ALA A 49 -3.645 2.730 9.621 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.827 5.487 9.758 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.318 5.256 11.703 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.583 4.004 11.695 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.925 3.598 11.191 1.00 0.00 H new ATOM 716 N ALA A 50 -0.857 4.472 8.727 1.00 0.00 N ATOM 717 CA ALA A 50 0.356 4.910 8.048 1.00 0.00 C ATOM 718 C ALA A 50 0.024 5.707 6.791 1.00 0.00 C ATOM 719 O ALA A 50 0.635 6.740 6.520 1.00 0.00 O ATOM 720 CB ALA A 50 1.229 3.713 7.701 1.00 0.00 C ATOM 0 H ALA A 50 -0.889 3.473 8.931 1.00 0.00 H new ATOM 0 HA ALA A 50 0.906 5.562 8.726 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.131 4.055 7.194 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.504 3.186 8.615 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.678 3.039 7.045 1.00 0.00 H new ATOM 726 N ALA A 51 -0.947 5.219 6.026 1.00 0.00 N ATOM 727 CA ALA A 51 -1.361 5.887 4.798 1.00 0.00 C ATOM 728 C ALA A 51 -1.726 7.343 5.062 1.00 0.00 C ATOM 729 O ALA A 51 -1.298 8.241 4.337 1.00 0.00 O ATOM 730 CB ALA A 51 -2.536 5.152 4.168 1.00 0.00 C ATOM 0 H ALA A 51 -1.462 4.364 6.235 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.521 5.870 4.103 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.835 5.661 3.252 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.242 4.129 3.935 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.373 5.139 4.866 1.00 0.00 H new ATOM 736 N SER A 52 -2.520 7.571 6.104 1.00 0.00 N ATOM 737 CA SER A 52 -2.946 8.919 6.460 1.00 0.00 C ATOM 738 C SER A 52 -1.782 9.723 7.034 1.00 0.00 C ATOM 739 O SER A 52 -1.625 10.906 6.735 1.00 0.00 O ATOM 740 CB SER A 52 -4.091 8.864 7.473 1.00 0.00 C ATOM 741 OG SER A 52 -5.340 8.703 6.823 1.00 0.00 O ATOM 0 H SER A 52 -2.881 6.839 6.716 1.00 0.00 H new ATOM 0 HA SER A 52 -3.295 9.414 5.554 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.929 8.038 8.165 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.101 9.779 8.065 1.00 0.00 H new ATOM 0 HG SER A 52 -6.055 8.669 7.492 1.00 0.00 H new ATOM 747 N GLU A 53 -0.970 9.070 7.859 1.00 0.00 N ATOM 748 CA GLU A 53 0.178 9.723 8.475 1.00 0.00 C ATOM 749 C GLU A 53 1.241 10.054 7.432 1.00 0.00 C ATOM 750 O GLU A 53 2.025 10.988 7.601 1.00 0.00 O ATOM 751 CB GLU A 53 0.777 8.831 9.565 1.00 0.00 C ATOM 752 CG GLU A 53 2.080 9.362 10.138 1.00 0.00 C ATOM 753 CD GLU A 53 1.864 10.483 11.137 1.00 0.00 C ATOM 754 OE1 GLU A 53 1.081 10.285 12.090 1.00 0.00 O ATOM 755 OE2 GLU A 53 2.476 11.558 10.965 1.00 0.00 O ATOM 0 H GLU A 53 -1.086 8.090 8.116 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.166 10.654 8.926 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.053 8.722 10.372 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.949 7.836 9.155 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.618 8.547 10.622 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.710 9.722 9.325 1.00 0.00 H new ATOM 762 N VAL A 54 1.262 9.279 6.351 1.00 0.00 N ATOM 763 CA VAL A 54 2.228 9.489 5.279 1.00 0.00 C ATOM 764 C VAL A 54 1.750 10.567 4.313 1.00 0.00 C ATOM 765 O VAL A 54 2.542 11.374 3.826 1.00 0.00 O ATOM 766 CB VAL A 54 2.486 8.189 4.494 1.00 0.00 C ATOM 767 CG1 VAL A 54 3.285 8.476 3.233 1.00 0.00 C ATOM 768 CG2 VAL A 54 3.203 7.172 5.370 1.00 0.00 C ATOM 0 H VAL A 54 0.621 8.501 6.195 1.00 0.00 H new ATOM 0 HA VAL A 54 3.157 9.812 5.748 1.00 0.00 H new ATOM 0 HB VAL A 54 1.526 7.767 4.198 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.457 7.546 2.692 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.729 9.167 2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.243 8.922 3.503 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.377 6.260 4.800 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.158 7.583 5.698 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.588 6.944 6.241 1.00 0.00 H new ATOM 778 N LYS A 55 0.450 10.574 4.039 1.00 0.00 N ATOM 779 CA LYS A 55 -0.135 11.554 3.132 1.00 0.00 C ATOM 780 C LYS A 55 -0.234 12.922 3.798 1.00 0.00 C ATOM 781 O LYS A 55 -0.316 13.947 3.122 1.00 0.00 O ATOM 782 CB LYS A 55 -1.523 11.095 2.678 1.00 0.00 C ATOM 783 CG LYS A 55 -2.644 11.545 3.600 1.00 0.00 C ATOM 784 CD LYS A 55 -4.009 11.229 3.012 1.00 0.00 C ATOM 785 CE LYS A 55 -5.131 11.690 3.931 1.00 0.00 C ATOM 786 NZ LYS A 55 -6.411 11.874 3.193 1.00 0.00 N ATOM 0 H LYS A 55 -0.219 9.912 4.432 1.00 0.00 H new ATOM 0 HA LYS A 55 0.516 11.639 2.262 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.713 11.477 1.675 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.533 10.007 2.611 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.541 11.053 4.567 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.562 12.617 3.777 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.110 11.714 2.041 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.094 10.156 2.842 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.272 10.959 4.727 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.848 12.629 4.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.150 12.188 3.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.283 12.590 2.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.695 10.972 2.760 1.00 0.00 H new ATOM 800 N GLU A 56 -0.223 12.930 5.128 1.00 0.00 N ATOM 801 CA GLU A 56 -0.310 14.174 5.884 1.00 0.00 C ATOM 802 C GLU A 56 1.071 14.794 6.074 1.00 0.00 C ATOM 803 O GLU A 56 1.199 16.005 6.248 1.00 0.00 O ATOM 804 CB GLU A 56 -0.960 13.923 7.247 1.00 0.00 C ATOM 805 CG GLU A 56 0.011 13.416 8.300 1.00 0.00 C ATOM 806 CD GLU A 56 -0.598 13.384 9.688 1.00 0.00 C ATOM 807 OE1 GLU A 56 -1.572 12.629 9.891 1.00 0.00 O ATOM 808 OE2 GLU A 56 -0.103 14.115 10.571 1.00 0.00 O ATOM 0 H GLU A 56 -0.155 12.090 5.703 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.927 14.871 5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.414 14.849 7.600 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.765 13.198 7.128 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.343 12.414 8.030 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.895 14.053 8.310 1.00 0.00 H new ATOM 815 N GLN A 57 2.100 13.953 6.039 1.00 0.00 N ATOM 816 CA GLN A 57 3.472 14.419 6.208 1.00 0.00 C ATOM 817 C GLN A 57 4.130 14.675 4.856 1.00 0.00 C ATOM 818 O GLN A 57 4.817 15.680 4.668 1.00 0.00 O ATOM 819 CB GLN A 57 4.286 13.394 6.999 1.00 0.00 C ATOM 820 CG GLN A 57 3.895 13.307 8.465 1.00 0.00 C ATOM 821 CD GLN A 57 4.792 12.373 9.254 1.00 0.00 C ATOM 822 OE1 GLN A 57 5.441 12.783 10.216 1.00 0.00 O ATOM 823 NE2 GLN A 57 4.833 11.109 8.849 1.00 0.00 N ATOM 0 H GLN A 57 2.010 12.947 5.895 1.00 0.00 H new ATOM 0 HA GLN A 57 3.446 15.357 6.762 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.163 12.413 6.540 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.343 13.649 6.928 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.935 14.302 8.907 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.863 12.965 8.542 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.278 10.812 8.046 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.419 10.435 9.341 1.00 0.00 H new ATOM 832 N THR A 58 3.916 13.760 3.916 1.00 0.00 N ATOM 833 CA THR A 58 4.490 13.886 2.582 1.00 0.00 C ATOM 834 C THR A 58 3.627 14.777 1.695 1.00 0.00 C ATOM 835 O THR A 58 3.692 14.698 0.468 1.00 0.00 O ATOM 836 CB THR A 58 4.650 12.511 1.907 1.00 0.00 C ATOM 837 OG1 THR A 58 3.364 11.970 1.584 1.00 0.00 O ATOM 838 CG2 THR A 58 5.398 11.547 2.815 1.00 0.00 C ATOM 0 H THR A 58 3.349 12.923 4.054 1.00 0.00 H new ATOM 0 HA THR A 58 5.474 14.340 2.702 1.00 0.00 H new ATOM 0 HB THR A 58 5.227 12.645 0.992 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.747 12.126 2.329 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.499 10.583 2.317 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.388 11.948 3.034 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.844 11.419 3.745 1.00 0.00 H new ATOM 846 N LYS A 59 2.821 15.626 2.322 1.00 0.00 N ATOM 847 CA LYS A 59 1.946 16.534 1.591 1.00 0.00 C ATOM 848 C LYS A 59 1.132 15.781 0.544 1.00 0.00 C ATOM 849 O LYS A 59 0.770 16.335 -0.493 1.00 0.00 O ATOM 850 CB LYS A 59 2.769 17.635 0.916 1.00 0.00 C ATOM 851 CG LYS A 59 3.546 18.499 1.894 1.00 0.00 C ATOM 852 CD LYS A 59 2.643 19.503 2.590 1.00 0.00 C ATOM 853 CE LYS A 59 3.428 20.392 3.543 1.00 0.00 C ATOM 854 NZ LYS A 59 3.742 19.694 4.820 1.00 0.00 N ATOM 0 H LYS A 59 2.756 15.704 3.337 1.00 0.00 H new ATOM 0 HA LYS A 59 1.258 16.987 2.304 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.467 17.177 0.215 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.102 18.270 0.333 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.028 17.865 2.638 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.339 19.027 1.364 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.141 20.120 1.845 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.866 18.974 3.141 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.355 20.708 3.064 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.854 21.294 3.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.277 20.333 5.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.857 19.414 5.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.311 18.847 4.622 1.00 0.00 H new ATOM 868 N GLY A 60 0.845 14.513 0.824 1.00 0.00 N ATOM 869 CA GLY A 60 0.074 13.704 -0.102 1.00 0.00 C ATOM 870 C GLY A 60 0.889 13.257 -1.299 1.00 0.00 C ATOM 871 O GLY A 60 0.338 12.954 -2.357 1.00 0.00 O ATOM 0 H GLY A 60 1.133 14.032 1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.311 12.828 0.419 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.789 14.274 -0.446 1.00 0.00 H new ATOM 875 N LYS A 61 2.207 13.218 -1.134 1.00 0.00 N ATOM 876 CA LYS A 61 3.102 12.805 -2.209 1.00 0.00 C ATOM 877 C LYS A 61 3.182 11.285 -2.296 1.00 0.00 C ATOM 878 O LYS A 61 2.827 10.692 -3.315 1.00 0.00 O ATOM 879 CB LYS A 61 4.499 13.389 -1.989 1.00 0.00 C ATOM 880 CG LYS A 61 5.592 12.649 -2.741 1.00 0.00 C ATOM 881 CD LYS A 61 5.303 12.592 -4.232 1.00 0.00 C ATOM 882 CE LYS A 61 5.870 13.803 -4.957 1.00 0.00 C ATOM 883 NZ LYS A 61 5.635 13.730 -6.426 1.00 0.00 N ATOM 0 H LYS A 61 2.680 13.468 -0.265 1.00 0.00 H new ATOM 0 HA LYS A 61 2.701 13.184 -3.149 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.500 14.434 -2.299 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.727 13.372 -0.923 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.549 13.144 -2.574 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.684 11.636 -2.348 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.731 11.682 -4.652 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.226 12.541 -4.393 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.414 14.710 -4.561 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.940 13.874 -4.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.036 14.573 -6.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.092 12.878 -6.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.613 13.688 -6.612 1.00 0.00 H new ATOM 897 N VAL A 62 3.649 10.658 -1.221 1.00 0.00 N ATOM 898 CA VAL A 62 3.774 9.206 -1.176 1.00 0.00 C ATOM 899 C VAL A 62 2.449 8.553 -0.798 1.00 0.00 C ATOM 900 O VAL A 62 2.033 8.591 0.360 1.00 0.00 O ATOM 901 CB VAL A 62 4.855 8.767 -0.171 1.00 0.00 C ATOM 902 CG1 VAL A 62 5.115 7.273 -0.285 1.00 0.00 C ATOM 903 CG2 VAL A 62 6.137 9.557 -0.388 1.00 0.00 C ATOM 0 H VAL A 62 3.947 11.133 -0.369 1.00 0.00 H new ATOM 0 HA VAL A 62 4.064 8.881 -2.175 1.00 0.00 H new ATOM 0 HB VAL A 62 4.494 8.973 0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.882 6.981 0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.195 6.727 -0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.455 7.039 -1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.890 9.234 0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.504 9.385 -1.400 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.937 10.620 -0.251 1.00 0.00 H new ATOM 913 N LYS A 63 1.790 7.952 -1.783 1.00 0.00 N ATOM 914 CA LYS A 63 0.512 7.288 -1.556 1.00 0.00 C ATOM 915 C LYS A 63 0.721 5.836 -1.139 1.00 0.00 C ATOM 916 O LYS A 63 1.750 5.232 -1.447 1.00 0.00 O ATOM 917 CB LYS A 63 -0.349 7.348 -2.819 1.00 0.00 C ATOM 918 CG LYS A 63 -0.646 8.762 -3.286 1.00 0.00 C ATOM 919 CD LYS A 63 -1.313 8.770 -4.652 1.00 0.00 C ATOM 920 CE LYS A 63 -2.191 9.998 -4.836 1.00 0.00 C ATOM 921 NZ LYS A 63 -1.385 11.226 -5.078 1.00 0.00 N ATOM 0 H LYS A 63 2.120 7.911 -2.747 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.002 7.810 -0.749 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.157 6.809 -3.620 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.290 6.831 -2.632 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.293 9.257 -2.562 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.281 9.334 -3.329 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.551 8.747 -5.431 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.916 7.869 -4.769 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.868 9.837 -5.675 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.809 10.138 -3.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.021 12.040 -5.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.756 11.394 -4.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.814 11.103 -5.938 1.00 0.00 H new ATOM 935 N LEU A 64 -0.260 5.279 -0.437 1.00 0.00 N ATOM 936 CA LEU A 64 -0.185 3.896 0.021 1.00 0.00 C ATOM 937 C LEU A 64 -1.368 3.085 -0.499 1.00 0.00 C ATOM 938 O LEU A 64 -2.523 3.419 -0.240 1.00 0.00 O ATOM 939 CB LEU A 64 -0.150 3.846 1.549 1.00 0.00 C ATOM 940 CG LEU A 64 1.238 3.891 2.191 1.00 0.00 C ATOM 941 CD1 LEU A 64 1.834 5.285 2.075 1.00 0.00 C ATOM 942 CD2 LEU A 64 1.166 3.459 3.648 1.00 0.00 C ATOM 0 H LEU A 64 -1.117 5.764 -0.172 1.00 0.00 H new ATOM 0 HA LEU A 64 0.732 3.458 -0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.733 4.683 1.933 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.649 2.933 1.874 1.00 0.00 H new ATOM 0 HG LEU A 64 1.887 3.195 1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.821 5.298 2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.922 5.557 1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.187 6.001 2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.162 3.497 4.088 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.502 4.129 4.194 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.782 2.441 3.707 1.00 0.00 H new ATOM 954 N ALA A 65 -1.070 2.017 -1.231 1.00 0.00 N ATOM 955 CA ALA A 65 -2.108 1.155 -1.783 1.00 0.00 C ATOM 956 C ALA A 65 -1.845 -0.308 -1.444 1.00 0.00 C ATOM 957 O ALA A 65 -0.755 -0.665 -0.998 1.00 0.00 O ATOM 958 CB ALA A 65 -2.201 1.341 -3.290 1.00 0.00 C ATOM 0 H ALA A 65 -0.118 1.728 -1.456 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.059 1.439 -1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.980 0.691 -3.689 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.444 2.380 -3.514 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.245 1.085 -3.748 1.00 0.00 H new ATOM 964 N ALA A 66 -2.850 -1.150 -1.657 1.00 0.00 N ATOM 965 CA ALA A 66 -2.727 -2.575 -1.375 1.00 0.00 C ATOM 966 C ALA A 66 -3.144 -3.411 -2.580 1.00 0.00 C ATOM 967 O ALA A 66 -3.751 -2.901 -3.522 1.00 0.00 O ATOM 968 CB ALA A 66 -3.561 -2.946 -0.158 1.00 0.00 C ATOM 0 H ALA A 66 -3.759 -0.870 -2.024 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.680 -2.789 -1.163 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.460 -4.013 0.041 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.214 -2.381 0.707 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.608 -2.710 -0.349 1.00 0.00 H new ATOM 974 N VAL A 67 -2.814 -4.698 -2.544 1.00 0.00 N ATOM 975 CA VAL A 67 -3.155 -5.606 -3.633 1.00 0.00 C ATOM 976 C VAL A 67 -3.343 -7.030 -3.124 1.00 0.00 C ATOM 977 O VAL A 67 -2.580 -7.505 -2.283 1.00 0.00 O ATOM 978 CB VAL A 67 -2.070 -5.603 -4.727 1.00 0.00 C ATOM 979 CG1 VAL A 67 -2.430 -6.575 -5.840 1.00 0.00 C ATOM 980 CG2 VAL A 67 -1.873 -4.198 -5.277 1.00 0.00 C ATOM 0 H VAL A 67 -2.311 -5.136 -1.772 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.092 -5.249 -4.060 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.130 -5.930 -4.283 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.652 -6.559 -6.603 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.516 -7.582 -5.430 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.381 -6.282 -6.285 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.103 -4.214 -6.049 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.809 -3.841 -5.706 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.565 -3.532 -4.471 1.00 0.00 H new ATOM 990 N ASP A 68 -4.364 -7.706 -3.638 1.00 0.00 N ATOM 991 CA ASP A 68 -4.653 -9.078 -3.236 1.00 0.00 C ATOM 992 C ASP A 68 -3.890 -10.071 -4.107 1.00 0.00 C ATOM 993 O ASP A 68 -4.279 -10.342 -5.243 1.00 0.00 O ATOM 994 CB ASP A 68 -6.155 -9.352 -3.324 1.00 0.00 C ATOM 995 CG ASP A 68 -6.979 -8.291 -2.622 1.00 0.00 C ATOM 996 OD1 ASP A 68 -7.093 -7.172 -3.165 1.00 0.00 O ATOM 997 OD2 ASP A 68 -7.511 -8.580 -1.530 1.00 0.00 O ATOM 0 H ASP A 68 -5.006 -7.327 -4.334 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.329 -9.204 -2.203 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.451 -9.404 -4.372 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.370 -10.326 -2.884 1.00 0.00 H new ATOM 1002 N ALA A 69 -2.802 -10.610 -3.567 1.00 0.00 N ATOM 1003 CA ALA A 69 -1.986 -11.574 -4.294 1.00 0.00 C ATOM 1004 C ALA A 69 -2.799 -12.806 -4.676 1.00 0.00 C ATOM 1005 O ALA A 69 -2.345 -13.648 -5.451 1.00 0.00 O ATOM 1006 CB ALA A 69 -0.776 -11.975 -3.463 1.00 0.00 C ATOM 0 H ALA A 69 -2.465 -10.395 -2.628 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.641 -11.100 -5.213 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.176 -12.695 -4.019 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.175 -11.092 -3.246 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.110 -12.425 -2.528 1.00 0.00 H new ATOM 1012 N THR A 70 -4.006 -12.906 -4.128 1.00 0.00 N ATOM 1013 CA THR A 70 -4.883 -14.036 -4.409 1.00 0.00 C ATOM 1014 C THR A 70 -5.685 -13.804 -5.684 1.00 0.00 C ATOM 1015 O THR A 70 -6.288 -14.730 -6.228 1.00 0.00 O ATOM 1016 CB THR A 70 -5.856 -14.296 -3.244 1.00 0.00 C ATOM 1017 OG1 THR A 70 -6.716 -13.165 -3.062 1.00 0.00 O ATOM 1018 CG2 THR A 70 -5.096 -14.574 -1.956 1.00 0.00 C ATOM 0 H THR A 70 -4.399 -12.217 -3.486 1.00 0.00 H new ATOM 0 HA THR A 70 -4.243 -14.909 -4.539 1.00 0.00 H new ATOM 0 HB THR A 70 -6.456 -15.172 -3.489 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.333 -13.339 -2.321 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.804 -14.755 -1.147 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.465 -15.453 -2.088 1.00 0.00 H new ATOM 0 HG23 THR A 70 -4.474 -13.714 -1.708 1.00 0.00 H new ATOM 1026 N VAL A 71 -5.690 -12.562 -6.158 1.00 0.00 N ATOM 1027 CA VAL A 71 -6.417 -12.209 -7.372 1.00 0.00 C ATOM 1028 C VAL A 71 -5.486 -11.601 -8.414 1.00 0.00 C ATOM 1029 O VAL A 71 -5.713 -11.730 -9.616 1.00 0.00 O ATOM 1030 CB VAL A 71 -7.556 -11.215 -7.074 1.00 0.00 C ATOM 1031 CG1 VAL A 71 -8.154 -10.686 -8.368 1.00 0.00 C ATOM 1032 CG2 VAL A 71 -8.624 -11.872 -6.213 1.00 0.00 C ATOM 0 H VAL A 71 -5.199 -11.783 -5.720 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.843 -13.132 -7.766 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.144 -10.371 -6.520 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.957 -9.985 -8.138 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.382 -10.176 -8.944 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.553 -11.516 -8.951 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.421 -11.156 -6.012 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.035 -12.734 -6.738 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.183 -12.197 -5.271 1.00 0.00 H new ATOM 1042 N ASN A 72 -4.435 -10.936 -7.944 1.00 0.00 N ATOM 1043 CA ASN A 72 -3.467 -10.307 -8.835 1.00 0.00 C ATOM 1044 C ASN A 72 -2.348 -11.278 -9.196 1.00 0.00 C ATOM 1045 O ASN A 72 -1.472 -11.562 -8.379 1.00 0.00 O ATOM 1046 CB ASN A 72 -2.880 -9.054 -8.182 1.00 0.00 C ATOM 1047 CG ASN A 72 -3.775 -7.841 -8.349 1.00 0.00 C ATOM 1048 OD1 ASN A 72 -3.402 -6.866 -9.002 1.00 0.00 O ATOM 1049 ND2 ASN A 72 -4.963 -7.897 -7.758 1.00 0.00 N ATOM 0 H ASN A 72 -4.232 -10.819 -6.951 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.985 -10.022 -9.751 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.721 -9.242 -7.120 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.903 -8.844 -8.618 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.609 -7.111 -7.835 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.230 -8.726 -7.227 1.00 0.00 H new ATOM 1056 N GLN A 73 -2.383 -11.783 -10.425 1.00 0.00 N ATOM 1057 CA GLN A 73 -1.371 -12.723 -10.894 1.00 0.00 C ATOM 1058 C GLN A 73 -0.426 -12.055 -11.886 1.00 0.00 C ATOM 1059 O GLN A 73 0.757 -12.389 -11.955 1.00 0.00 O ATOM 1060 CB GLN A 73 -2.035 -13.938 -11.543 1.00 0.00 C ATOM 1061 CG GLN A 73 -2.943 -14.711 -10.600 1.00 0.00 C ATOM 1062 CD GLN A 73 -2.192 -15.740 -9.778 1.00 0.00 C ATOM 1063 OE1 GLN A 73 -1.365 -16.486 -10.302 1.00 0.00 O ATOM 1064 NE2 GLN A 73 -2.476 -15.784 -8.482 1.00 0.00 N ATOM 0 H GLN A 73 -3.101 -11.557 -11.114 1.00 0.00 H new ATOM 0 HA GLN A 73 -0.790 -13.052 -10.032 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.616 -13.607 -12.404 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.261 -14.607 -11.919 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.444 -14.012 -9.930 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.720 -15.211 -11.178 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.169 -15.146 -8.090 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.001 -16.455 -7.878 1.00 0.00 H new ATOM 1073 N VAL A 74 -0.955 -11.108 -12.655 1.00 0.00 N ATOM 1074 CA VAL A 74 -0.158 -10.392 -13.644 1.00 0.00 C ATOM 1075 C VAL A 74 0.997 -9.647 -12.984 1.00 0.00 C ATOM 1076 O VAL A 74 2.106 -9.599 -13.518 1.00 0.00 O ATOM 1077 CB VAL A 74 -1.017 -9.388 -14.436 1.00 0.00 C ATOM 1078 CG1 VAL A 74 -0.176 -8.677 -15.485 1.00 0.00 C ATOM 1079 CG2 VAL A 74 -2.203 -10.092 -15.077 1.00 0.00 C ATOM 0 H VAL A 74 -1.932 -10.819 -12.612 1.00 0.00 H new ATOM 0 HA VAL A 74 0.241 -11.139 -14.331 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.400 -8.638 -13.744 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.800 -7.972 -16.035 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.636 -8.139 -14.997 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.239 -9.410 -16.177 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.799 -9.368 -15.632 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.844 -10.864 -15.757 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.817 -10.549 -14.301 1.00 0.00 H new ATOM 1089 N LEU A 75 0.730 -9.066 -11.819 1.00 0.00 N ATOM 1090 CA LEU A 75 1.748 -8.322 -11.084 1.00 0.00 C ATOM 1091 C LEU A 75 2.571 -9.254 -10.200 1.00 0.00 C ATOM 1092 O LEU A 75 3.791 -9.334 -10.333 1.00 0.00 O ATOM 1093 CB LEU A 75 1.095 -7.235 -10.230 1.00 0.00 C ATOM 1094 CG LEU A 75 0.102 -6.321 -10.949 1.00 0.00 C ATOM 1095 CD1 LEU A 75 -0.550 -5.362 -9.966 1.00 0.00 C ATOM 1096 CD2 LEU A 75 0.795 -5.554 -12.066 1.00 0.00 C ATOM 0 H LEU A 75 -0.182 -9.096 -11.363 1.00 0.00 H new ATOM 0 HA LEU A 75 2.416 -7.855 -11.808 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.579 -7.715 -9.399 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.883 -6.616 -9.801 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.678 -6.941 -11.391 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.253 -4.720 -10.496 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.082 -5.930 -9.202 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.217 -4.748 -9.494 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.073 -4.909 -12.567 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.596 -4.945 -11.647 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.213 -6.258 -12.786 1.00 0.00 H new ATOM 1108 N ALA A 76 1.893 -9.959 -9.300 1.00 0.00 N ATOM 1109 CA ALA A 76 2.561 -10.888 -8.397 1.00 0.00 C ATOM 1110 C ALA A 76 3.600 -11.722 -9.139 1.00 0.00 C ATOM 1111 O ALA A 76 4.676 -12.004 -8.610 1.00 0.00 O ATOM 1112 CB ALA A 76 1.541 -11.792 -7.721 1.00 0.00 C ATOM 0 H ALA A 76 0.882 -9.904 -9.177 1.00 0.00 H new ATOM 0 HA ALA A 76 3.077 -10.307 -7.633 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.054 -12.481 -7.049 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.838 -11.185 -7.151 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.999 -12.359 -8.478 1.00 0.00 H new ATOM 1118 N SER A 77 3.271 -12.115 -10.365 1.00 0.00 N ATOM 1119 CA SER A 77 4.175 -12.922 -11.177 1.00 0.00 C ATOM 1120 C SER A 77 5.328 -12.076 -11.709 1.00 0.00 C ATOM 1121 O SER A 77 6.432 -12.577 -11.924 1.00 0.00 O ATOM 1122 CB SER A 77 3.416 -13.560 -12.342 1.00 0.00 C ATOM 1123 OG SER A 77 4.302 -14.228 -13.223 1.00 0.00 O ATOM 0 H SER A 77 2.386 -11.888 -10.818 1.00 0.00 H new ATOM 0 HA SER A 77 4.586 -13.710 -10.546 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.680 -14.266 -11.957 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.867 -12.792 -12.887 1.00 0.00 H new ATOM 0 HG SER A 77 3.792 -14.628 -13.958 1.00 0.00 H new ATOM 1129 N ARG A 78 5.062 -10.791 -11.920 1.00 0.00 N ATOM 1130 CA ARG A 78 6.076 -9.875 -12.429 1.00 0.00 C ATOM 1131 C ARG A 78 7.215 -9.714 -11.426 1.00 0.00 C ATOM 1132 O ARG A 78 8.390 -9.782 -11.789 1.00 0.00 O ATOM 1133 CB ARG A 78 5.455 -8.511 -12.734 1.00 0.00 C ATOM 1134 CG ARG A 78 6.397 -7.559 -13.453 1.00 0.00 C ATOM 1135 CD ARG A 78 5.836 -6.147 -13.496 1.00 0.00 C ATOM 1136 NE ARG A 78 6.533 -5.310 -14.470 1.00 0.00 N ATOM 1137 CZ ARG A 78 7.771 -4.860 -14.299 1.00 0.00 C ATOM 1138 NH1 ARG A 78 8.445 -5.165 -13.199 1.00 0.00 N ATOM 1139 NH2 ARG A 78 8.338 -4.104 -15.230 1.00 0.00 N ATOM 0 H ARG A 78 4.154 -10.361 -11.747 1.00 0.00 H new ATOM 0 HA ARG A 78 6.481 -10.296 -13.349 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.563 -8.656 -13.344 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.131 -8.052 -11.800 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.364 -7.552 -12.949 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.569 -7.914 -14.469 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.775 -6.186 -13.745 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.915 -5.695 -12.507 1.00 0.00 H new ATOM 0 HE ARG A 78 6.042 -5.058 -15.328 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.013 -5.747 -12.481 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.396 -4.818 -13.071 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.823 -3.868 -16.078 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.289 -3.759 -15.098 1.00 0.00 H new ATOM 1153 N TYR A 79 6.859 -9.499 -10.164 1.00 0.00 N ATOM 1154 CA TYR A 79 7.851 -9.325 -9.110 1.00 0.00 C ATOM 1155 C TYR A 79 8.098 -10.637 -8.372 1.00 0.00 C ATOM 1156 O TYR A 79 9.146 -10.829 -7.756 1.00 0.00 O ATOM 1157 CB TYR A 79 7.393 -8.251 -8.122 1.00 0.00 C ATOM 1158 CG TYR A 79 6.952 -6.966 -8.786 1.00 0.00 C ATOM 1159 CD1 TYR A 79 7.872 -5.972 -9.100 1.00 0.00 C ATOM 1160 CD2 TYR A 79 5.617 -6.745 -9.099 1.00 0.00 C ATOM 1161 CE1 TYR A 79 7.474 -4.796 -9.706 1.00 0.00 C ATOM 1162 CE2 TYR A 79 5.210 -5.572 -9.707 1.00 0.00 C ATOM 1163 CZ TYR A 79 6.142 -4.601 -10.008 1.00 0.00 C ATOM 1164 OH TYR A 79 5.741 -3.432 -10.612 1.00 0.00 O ATOM 0 H TYR A 79 5.891 -9.441 -9.847 1.00 0.00 H new ATOM 0 HA TYR A 79 8.785 -9.008 -9.574 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.569 -8.644 -7.527 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.208 -8.033 -7.432 1.00 0.00 H new ATOM 0 HD1 TYR A 79 8.916 -6.122 -8.866 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.884 -7.503 -8.863 1.00 0.00 H new ATOM 0 HE1 TYR A 79 8.202 -4.034 -9.942 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.168 -5.417 -9.945 1.00 0.00 H new ATOM 0 HH TYR A 79 5.884 -2.681 -9.999 1.00 0.00 H new ATOM 1174 N GLY A 80 7.124 -11.540 -8.441 1.00 0.00 N ATOM 1175 CA GLY A 80 7.254 -12.824 -7.777 1.00 0.00 C ATOM 1176 C GLY A 80 6.825 -12.771 -6.324 1.00 0.00 C ATOM 1177 O GLY A 80 7.554 -13.217 -5.438 1.00 0.00 O ATOM 0 H GLY A 80 6.247 -11.405 -8.945 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.652 -13.565 -8.304 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.291 -13.156 -7.835 1.00 0.00 H new ATOM 1181 N ILE A 81 5.640 -12.222 -6.078 1.00 0.00 N ATOM 1182 CA ILE A 81 5.116 -12.112 -4.723 1.00 0.00 C ATOM 1183 C ILE A 81 4.493 -13.427 -4.266 1.00 0.00 C ATOM 1184 O ILE A 81 3.458 -13.848 -4.784 1.00 0.00 O ATOM 1185 CB ILE A 81 4.064 -10.993 -4.615 1.00 0.00 C ATOM 1186 CG1 ILE A 81 4.608 -9.692 -5.209 1.00 0.00 C ATOM 1187 CG2 ILE A 81 3.654 -10.788 -3.164 1.00 0.00 C ATOM 1188 CD1 ILE A 81 5.790 -9.130 -4.451 1.00 0.00 C ATOM 0 H ILE A 81 5.025 -11.847 -6.800 1.00 0.00 H new ATOM 0 HA ILE A 81 5.960 -11.869 -4.077 1.00 0.00 H new ATOM 0 HB ILE A 81 3.182 -11.289 -5.183 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.901 -9.869 -6.244 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.811 -8.949 -5.226 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.910 -9.994 -3.105 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.230 -11.712 -2.772 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.528 -10.511 -2.575 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.123 -8.208 -4.928 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.496 -8.921 -3.422 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.604 -9.855 -4.456 1.00 0.00 H new ATOM 1200 N ARG A 82 5.128 -14.070 -3.291 1.00 0.00 N ATOM 1201 CA ARG A 82 4.635 -15.336 -2.764 1.00 0.00 C ATOM 1202 C ARG A 82 4.539 -15.291 -1.242 1.00 0.00 C ATOM 1203 O ARG A 82 3.702 -15.964 -0.642 1.00 0.00 O ATOM 1204 CB ARG A 82 5.552 -16.483 -3.193 1.00 0.00 C ATOM 1205 CG ARG A 82 5.173 -17.098 -4.531 1.00 0.00 C ATOM 1206 CD ARG A 82 5.854 -18.441 -4.740 1.00 0.00 C ATOM 1207 NE ARG A 82 7.236 -18.290 -5.186 1.00 0.00 N ATOM 1208 CZ ARG A 82 8.135 -19.267 -5.137 1.00 0.00 C ATOM 1209 NH1 ARG A 82 7.799 -20.459 -4.664 1.00 0.00 N ATOM 1210 NH2 ARG A 82 9.374 -19.053 -5.563 1.00 0.00 N ATOM 0 H ARG A 82 5.985 -13.735 -2.851 1.00 0.00 H new ATOM 0 HA ARG A 82 3.637 -15.505 -3.169 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.577 -16.116 -3.249 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.532 -17.259 -2.427 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.092 -17.226 -4.581 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.451 -16.419 -5.337 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.833 -19.007 -3.809 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.296 -19.019 -5.477 1.00 0.00 H new ATOM 0 HE ARG A 82 7.527 -17.385 -5.555 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.848 -20.628 -4.336 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.492 -21.207 -4.628 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.637 -18.138 -5.928 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.063 -19.804 -5.525 1.00 0.00 H new ATOM 1224 N GLY A 83 5.403 -14.491 -0.623 1.00 0.00 N ATOM 1225 CA GLY A 83 5.399 -14.373 0.824 1.00 0.00 C ATOM 1226 C GLY A 83 4.819 -13.055 1.296 1.00 0.00 C ATOM 1227 O GLY A 83 5.450 -12.007 1.162 1.00 0.00 O ATOM 0 H GLY A 83 6.105 -13.923 -1.097 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.823 -15.194 1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.419 -14.472 1.196 1.00 0.00 H new ATOM 1231 N PHE A 84 3.612 -13.106 1.850 1.00 0.00 N ATOM 1232 CA PHE A 84 2.945 -11.906 2.342 1.00 0.00 C ATOM 1233 C PHE A 84 3.069 -11.798 3.859 1.00 0.00 C ATOM 1234 O PHE A 84 3.236 -12.792 4.566 1.00 0.00 O ATOM 1235 CB PHE A 84 1.469 -11.916 1.939 1.00 0.00 C ATOM 1236 CG PHE A 84 1.198 -12.682 0.675 1.00 0.00 C ATOM 1237 CD1 PHE A 84 1.985 -12.491 -0.448 1.00 0.00 C ATOM 1238 CD2 PHE A 84 0.155 -13.592 0.612 1.00 0.00 C ATOM 1239 CE1 PHE A 84 1.737 -13.194 -1.612 1.00 0.00 C ATOM 1240 CE2 PHE A 84 -0.097 -14.298 -0.549 1.00 0.00 C ATOM 1241 CZ PHE A 84 0.695 -14.099 -1.663 1.00 0.00 C ATOM 0 H PHE A 84 3.076 -13.965 1.969 1.00 0.00 H new ATOM 0 HA PHE A 84 3.431 -11.040 1.893 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.882 -12.348 2.749 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.128 -10.888 1.812 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.802 -11.785 -0.414 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.468 -13.751 1.480 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.358 -13.036 -2.481 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.913 -15.005 -0.585 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.500 -14.650 -2.571 1.00 0.00 H new ATOM 1251 N PRO A 85 2.987 -10.561 4.372 1.00 0.00 N ATOM 1252 CA PRO A 85 2.789 -9.371 3.540 1.00 0.00 C ATOM 1253 C PRO A 85 4.015 -9.044 2.695 1.00 0.00 C ATOM 1254 O PRO A 85 5.103 -9.571 2.930 1.00 0.00 O ATOM 1255 CB PRO A 85 2.534 -8.261 4.563 1.00 0.00 C ATOM 1256 CG PRO A 85 3.205 -8.732 5.807 1.00 0.00 C ATOM 1257 CD PRO A 85 3.081 -10.230 5.804 1.00 0.00 C ATOM 0 HA PRO A 85 1.978 -9.505 2.824 1.00 0.00 H new ATOM 0 HB2 PRO A 85 2.946 -7.310 4.226 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.467 -8.107 4.723 1.00 0.00 H new ATOM 0 HG2 PRO A 85 4.251 -8.427 5.825 1.00 0.00 H new ATOM 0 HG3 PRO A 85 2.733 -8.303 6.691 1.00 0.00 H new ATOM 0 HD2 PRO A 85 3.944 -10.706 6.271 1.00 0.00 H new ATOM 0 HD3 PRO A 85 2.199 -10.561 6.352 1.00 0.00 H new ATOM 1265 N THR A 86 3.834 -8.171 1.709 1.00 0.00 N ATOM 1266 CA THR A 86 4.925 -7.774 0.828 1.00 0.00 C ATOM 1267 C THR A 86 4.841 -6.292 0.480 1.00 0.00 C ATOM 1268 O THR A 86 4.000 -5.880 -0.320 1.00 0.00 O ATOM 1269 CB THR A 86 4.922 -8.596 -0.475 1.00 0.00 C ATOM 1270 OG1 THR A 86 5.067 -9.989 -0.176 1.00 0.00 O ATOM 1271 CG2 THR A 86 6.046 -8.151 -1.398 1.00 0.00 C ATOM 0 H THR A 86 2.941 -7.725 1.500 1.00 0.00 H new ATOM 0 HA THR A 86 5.852 -7.965 1.368 1.00 0.00 H new ATOM 0 HB THR A 86 3.971 -8.430 -0.981 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.413 -10.094 0.735 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.024 -8.746 -2.311 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.917 -7.098 -1.647 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.004 -8.290 -0.898 1.00 0.00 H new ATOM 1279 N ILE A 87 5.716 -5.497 1.086 1.00 0.00 N ATOM 1280 CA ILE A 87 5.740 -4.061 0.838 1.00 0.00 C ATOM 1281 C ILE A 87 6.808 -3.698 -0.187 1.00 0.00 C ATOM 1282 O ILE A 87 7.987 -4.007 -0.009 1.00 0.00 O ATOM 1283 CB ILE A 87 6.000 -3.270 2.135 1.00 0.00 C ATOM 1284 CG1 ILE A 87 4.909 -3.567 3.166 1.00 0.00 C ATOM 1285 CG2 ILE A 87 6.067 -1.779 1.841 1.00 0.00 C ATOM 1286 CD1 ILE A 87 5.376 -3.423 4.597 1.00 0.00 C ATOM 0 H ILE A 87 6.417 -5.823 1.752 1.00 0.00 H new ATOM 0 HA ILE A 87 4.759 -3.792 0.448 1.00 0.00 H new ATOM 0 HB ILE A 87 6.959 -3.582 2.548 1.00 0.00 H new ATOM 0 HG12 ILE A 87 4.068 -2.894 2.997 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.542 -4.582 3.012 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.251 -1.234 2.767 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.876 -1.583 1.137 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.122 -1.451 1.408 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.551 -3.648 5.273 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.197 -4.115 4.783 1.00 0.00 H new ATOM 0 HD13 ILE A 87 5.716 -2.402 4.768 1.00 0.00 H new ATOM 1298 N LYS A 88 6.389 -3.039 -1.262 1.00 0.00 N ATOM 1299 CA LYS A 88 7.309 -2.630 -2.317 1.00 0.00 C ATOM 1300 C LYS A 88 7.124 -1.155 -2.659 1.00 0.00 C ATOM 1301 O LYS A 88 5.998 -0.663 -2.735 1.00 0.00 O ATOM 1302 CB LYS A 88 7.096 -3.485 -3.568 1.00 0.00 C ATOM 1303 CG LYS A 88 7.279 -4.973 -3.326 1.00 0.00 C ATOM 1304 CD LYS A 88 8.719 -5.402 -3.552 1.00 0.00 C ATOM 1305 CE LYS A 88 8.842 -6.916 -3.640 1.00 0.00 C ATOM 1306 NZ LYS A 88 9.073 -7.532 -2.305 1.00 0.00 N ATOM 0 H LYS A 88 5.417 -2.776 -1.426 1.00 0.00 H new ATOM 0 HA LYS A 88 8.326 -2.776 -1.954 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.091 -3.309 -3.952 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.793 -3.163 -4.341 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.982 -5.216 -2.306 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.623 -5.534 -3.991 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.094 -4.951 -4.471 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.342 -5.032 -2.738 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.934 -7.329 -4.078 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.664 -7.175 -4.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.679 -8.494 -2.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.094 -7.574 -2.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.607 -6.959 -1.573 1.00 0.00 H new ATOM 1320 N ILE A 89 8.235 -0.456 -2.864 1.00 0.00 N ATOM 1321 CA ILE A 89 8.194 0.962 -3.201 1.00 0.00 C ATOM 1322 C ILE A 89 8.526 1.187 -4.672 1.00 0.00 C ATOM 1323 O ILE A 89 9.405 0.530 -5.229 1.00 0.00 O ATOM 1324 CB ILE A 89 9.174 1.774 -2.335 1.00 0.00 C ATOM 1325 CG1 ILE A 89 8.705 1.796 -0.878 1.00 0.00 C ATOM 1326 CG2 ILE A 89 9.310 3.190 -2.874 1.00 0.00 C ATOM 1327 CD1 ILE A 89 9.198 0.619 -0.067 1.00 0.00 C ATOM 0 H ILE A 89 9.175 -0.848 -2.803 1.00 0.00 H new ATOM 0 HA ILE A 89 7.178 1.304 -3.004 1.00 0.00 H new ATOM 0 HB ILE A 89 10.152 1.295 -2.375 1.00 0.00 H new ATOM 0 HG12 ILE A 89 9.046 2.719 -0.409 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.615 1.811 -0.856 1.00 0.00 H new ATOM 0 HG21 ILE A 89 10.006 3.751 -2.251 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.685 3.156 -3.897 1.00 0.00 H new ATOM 0 HG23 ILE A 89 8.336 3.679 -2.861 1.00 0.00 H new ATOM 0 HD11 ILE A 89 8.827 0.700 0.955 1.00 0.00 H new ATOM 0 HD12 ILE A 89 8.835 -0.307 -0.512 1.00 0.00 H new ATOM 0 HD13 ILE A 89 10.288 0.614 -0.058 1.00 0.00 H new ATOM 1339 N PHE A 90 7.817 2.122 -5.296 1.00 0.00 N ATOM 1340 CA PHE A 90 8.036 2.436 -6.703 1.00 0.00 C ATOM 1341 C PHE A 90 8.237 3.936 -6.900 1.00 0.00 C ATOM 1342 O PHE A 90 7.312 4.726 -6.714 1.00 0.00 O ATOM 1343 CB PHE A 90 6.854 1.954 -7.545 1.00 0.00 C ATOM 1344 CG PHE A 90 6.714 0.459 -7.582 1.00 0.00 C ATOM 1345 CD1 PHE A 90 6.068 -0.215 -6.558 1.00 0.00 C ATOM 1346 CD2 PHE A 90 7.230 -0.273 -8.639 1.00 0.00 C ATOM 1347 CE1 PHE A 90 5.938 -1.591 -6.589 1.00 0.00 C ATOM 1348 CE2 PHE A 90 7.103 -1.649 -8.675 1.00 0.00 C ATOM 1349 CZ PHE A 90 6.457 -2.309 -7.648 1.00 0.00 C ATOM 0 H PHE A 90 7.086 2.675 -4.849 1.00 0.00 H new ATOM 0 HA PHE A 90 8.939 1.920 -7.028 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.936 2.387 -7.149 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.968 2.325 -8.563 1.00 0.00 H new ATOM 0 HD1 PHE A 90 5.661 0.341 -5.726 1.00 0.00 H new ATOM 0 HD2 PHE A 90 7.737 0.237 -9.444 1.00 0.00 H new ATOM 0 HE1 PHE A 90 5.431 -2.104 -5.785 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.509 -2.208 -9.506 1.00 0.00 H new ATOM 0 HZ PHE A 90 6.358 -3.384 -7.673 1.00 0.00 H new ATOM 1359 N GLN A 91 9.453 4.319 -7.279 1.00 0.00 N ATOM 1360 CA GLN A 91 9.776 5.724 -7.500 1.00 0.00 C ATOM 1361 C GLN A 91 10.062 5.990 -8.974 1.00 0.00 C ATOM 1362 O GLN A 91 11.210 6.198 -9.368 1.00 0.00 O ATOM 1363 CB GLN A 91 10.982 6.131 -6.653 1.00 0.00 C ATOM 1364 CG GLN A 91 10.797 5.871 -5.166 1.00 0.00 C ATOM 1365 CD GLN A 91 12.073 6.081 -4.374 1.00 0.00 C ATOM 1366 OE1 GLN A 91 12.758 7.091 -4.535 1.00 0.00 O ATOM 1367 NE2 GLN A 91 12.398 5.125 -3.512 1.00 0.00 N ATOM 0 H GLN A 91 10.229 3.677 -7.439 1.00 0.00 H new ATOM 0 HA GLN A 91 8.914 6.321 -7.202 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.860 5.588 -7.002 1.00 0.00 H new ATOM 0 HB3 GLN A 91 11.182 7.192 -6.806 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.021 6.531 -4.779 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.447 4.849 -5.020 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.800 4.305 -3.411 1.00 0.00 H new ATOM 0 HE22 GLN A 91 13.245 5.211 -2.951 1.00 0.00 H new ATOM 1376 N LYS A 92 9.010 5.983 -9.787 1.00 0.00 N ATOM 1377 CA LYS A 92 9.147 6.225 -11.218 1.00 0.00 C ATOM 1378 C LYS A 92 10.260 7.230 -11.496 1.00 0.00 C ATOM 1379 O LYS A 92 10.149 8.405 -11.151 1.00 0.00 O ATOM 1380 CB LYS A 92 7.826 6.737 -11.798 1.00 0.00 C ATOM 1381 CG LYS A 92 8.002 7.638 -13.008 1.00 0.00 C ATOM 1382 CD LYS A 92 6.736 7.701 -13.845 1.00 0.00 C ATOM 1383 CE LYS A 92 6.487 6.391 -14.578 1.00 0.00 C ATOM 1384 NZ LYS A 92 5.664 6.589 -15.803 1.00 0.00 N ATOM 0 H LYS A 92 8.053 5.812 -9.478 1.00 0.00 H new ATOM 0 HA LYS A 92 9.406 5.281 -11.698 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.207 5.885 -12.077 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.286 7.283 -11.024 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.272 8.642 -12.679 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.826 7.270 -13.620 1.00 0.00 H new ATOM 0 HD2 LYS A 92 5.885 7.927 -13.203 1.00 0.00 H new ATOM 0 HD3 LYS A 92 6.816 8.514 -14.567 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.441 5.940 -14.850 1.00 0.00 H new ATOM 0 HE3 LYS A 92 5.983 5.692 -13.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 5.658 5.712 -16.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 4.690 6.833 -15.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 6.068 7.360 -16.372 1.00 0.00 H new ATOM 1398 N GLY A 93 11.333 6.758 -12.124 1.00 0.00 N ATOM 1399 CA GLY A 93 12.451 7.629 -12.439 1.00 0.00 C ATOM 1400 C GLY A 93 13.785 6.915 -12.353 1.00 0.00 C ATOM 1401 O GLY A 93 14.705 7.213 -13.113 1.00 0.00 O ATOM 0 H GLY A 93 11.448 5.789 -12.420 1.00 0.00 H new ATOM 0 HA2 GLY A 93 12.322 8.031 -13.444 1.00 0.00 H new ATOM 0 HA3 GLY A 93 12.451 8.477 -11.754 1.00 0.00 H new ATOM 1405 N GLU A 94 13.890 5.971 -11.423 1.00 0.00 N ATOM 1406 CA GLU A 94 15.123 5.215 -11.239 1.00 0.00 C ATOM 1407 C GLU A 94 14.848 3.714 -11.249 1.00 0.00 C ATOM 1408 O GLU A 94 15.121 3.028 -12.234 1.00 0.00 O ATOM 1409 CB GLU A 94 15.800 5.611 -9.925 1.00 0.00 C ATOM 1410 CG GLU A 94 16.270 7.056 -9.894 1.00 0.00 C ATOM 1411 CD GLU A 94 17.174 7.350 -8.713 1.00 0.00 C ATOM 1412 OE1 GLU A 94 18.365 6.981 -8.770 1.00 0.00 O ATOM 1413 OE2 GLU A 94 16.688 7.950 -7.731 1.00 0.00 O ATOM 0 H GLU A 94 13.137 5.712 -10.786 1.00 0.00 H new ATOM 0 HA GLU A 94 15.790 5.451 -12.068 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.103 5.447 -9.103 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.654 4.956 -9.754 1.00 0.00 H new ATOM 0 HG2 GLU A 94 16.802 7.281 -10.819 1.00 0.00 H new ATOM 0 HG3 GLU A 94 15.403 7.715 -9.856 1.00 0.00 H new ATOM 1420 N SER A 95 14.304 3.210 -10.146 1.00 0.00 N ATOM 1421 CA SER A 95 13.995 1.790 -10.025 1.00 0.00 C ATOM 1422 C SER A 95 13.283 1.500 -8.707 1.00 0.00 C ATOM 1423 O SER A 95 13.581 2.088 -7.668 1.00 0.00 O ATOM 1424 CB SER A 95 15.275 0.958 -10.120 1.00 0.00 C ATOM 1425 OG SER A 95 14.996 -0.359 -10.560 1.00 0.00 O ATOM 0 H SER A 95 14.068 3.764 -9.323 1.00 0.00 H new ATOM 0 HA SER A 95 13.331 1.516 -10.845 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.972 1.435 -10.809 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.763 0.924 -9.146 1.00 0.00 H new ATOM 0 HG SER A 95 15.831 -0.870 -10.614 1.00 0.00 H new ATOM 1431 N PRO A 96 12.317 0.569 -8.751 1.00 0.00 N ATOM 1432 CA PRO A 96 11.542 0.178 -7.570 1.00 0.00 C ATOM 1433 C PRO A 96 12.379 -0.597 -6.558 1.00 0.00 C ATOM 1434 O PRO A 96 13.444 -1.118 -6.887 1.00 0.00 O ATOM 1435 CB PRO A 96 10.441 -0.714 -8.148 1.00 0.00 C ATOM 1436 CG PRO A 96 11.015 -1.253 -9.413 1.00 0.00 C ATOM 1437 CD PRO A 96 11.909 -0.172 -9.956 1.00 0.00 C ATOM 0 HA PRO A 96 11.166 1.043 -7.024 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.179 -1.517 -7.459 1.00 0.00 H new ATOM 0 HB3 PRO A 96 9.530 -0.146 -8.337 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.578 -2.168 -9.227 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.227 -1.502 -10.124 1.00 0.00 H new ATOM 0 HD2 PRO A 96 12.768 -0.588 -10.483 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.382 0.469 -10.663 1.00 0.00 H new ATOM 1445 N VAL A 97 11.889 -0.670 -5.324 1.00 0.00 N ATOM 1446 CA VAL A 97 12.591 -1.383 -4.264 1.00 0.00 C ATOM 1447 C VAL A 97 11.623 -2.204 -3.419 1.00 0.00 C ATOM 1448 O VAL A 97 10.413 -2.184 -3.647 1.00 0.00 O ATOM 1449 CB VAL A 97 13.359 -0.412 -3.347 1.00 0.00 C ATOM 1450 CG1 VAL A 97 14.680 -0.008 -3.984 1.00 0.00 C ATOM 1451 CG2 VAL A 97 12.510 0.812 -3.039 1.00 0.00 C ATOM 0 H VAL A 97 11.009 -0.244 -5.034 1.00 0.00 H new ATOM 0 HA VAL A 97 13.302 -2.051 -4.750 1.00 0.00 H new ATOM 0 HB VAL A 97 13.577 -0.921 -2.408 1.00 0.00 H new ATOM 0 HG11 VAL A 97 15.208 0.678 -3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 97 15.291 -0.896 -4.149 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.489 0.484 -4.938 1.00 0.00 H new ATOM 0 HG21 VAL A 97 13.067 1.488 -2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 97 12.260 1.325 -3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.593 0.502 -2.538 1.00 0.00 H new ATOM 1461 N ASP A 98 12.163 -2.924 -2.442 1.00 0.00 N ATOM 1462 CA ASP A 98 11.347 -3.752 -1.561 1.00 0.00 C ATOM 1463 C ASP A 98 11.601 -3.402 -0.098 1.00 0.00 C ATOM 1464 O ASP A 98 12.724 -3.520 0.393 1.00 0.00 O ATOM 1465 CB ASP A 98 11.640 -5.233 -1.802 1.00 0.00 C ATOM 1466 CG ASP A 98 13.080 -5.596 -1.496 1.00 0.00 C ATOM 1467 OD1 ASP A 98 13.953 -4.711 -1.615 1.00 0.00 O ATOM 1468 OD2 ASP A 98 13.335 -6.766 -1.139 1.00 0.00 O ATOM 0 H ASP A 98 13.162 -2.951 -2.240 1.00 0.00 H new ATOM 0 HA ASP A 98 10.299 -3.556 -1.786 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.977 -5.837 -1.183 1.00 0.00 H new ATOM 0 HB3 ASP A 98 11.419 -5.480 -2.840 1.00 0.00 H new ATOM 1473 N TYR A 99 10.551 -2.970 0.592 1.00 0.00 N ATOM 1474 CA TYR A 99 10.661 -2.599 1.997 1.00 0.00 C ATOM 1475 C TYR A 99 10.806 -3.836 2.878 1.00 0.00 C ATOM 1476 O TYR A 99 9.923 -4.693 2.914 1.00 0.00 O ATOM 1477 CB TYR A 99 9.436 -1.792 2.431 1.00 0.00 C ATOM 1478 CG TYR A 99 9.487 -1.340 3.873 1.00 0.00 C ATOM 1479 CD1 TYR A 99 9.031 -2.161 4.896 1.00 0.00 C ATOM 1480 CD2 TYR A 99 9.993 -0.091 4.211 1.00 0.00 C ATOM 1481 CE1 TYR A 99 9.076 -1.752 6.214 1.00 0.00 C ATOM 1482 CE2 TYR A 99 10.043 0.327 5.527 1.00 0.00 C ATOM 1483 CZ TYR A 99 9.583 -0.507 6.525 1.00 0.00 C ATOM 1484 OH TYR A 99 9.631 -0.096 7.837 1.00 0.00 O ATOM 0 H TYR A 99 9.614 -2.868 0.201 1.00 0.00 H new ATOM 0 HA TYR A 99 11.554 -1.984 2.115 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.342 -0.917 1.788 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.541 -2.396 2.280 1.00 0.00 H new ATOM 0 HD1 TYR A 99 8.634 -3.136 4.656 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.353 0.564 3.432 1.00 0.00 H new ATOM 0 HE1 TYR A 99 8.716 -2.403 6.997 1.00 0.00 H new ATOM 0 HE2 TYR A 99 10.440 1.301 5.773 1.00 0.00 H new ATOM 0 HH TYR A 99 9.002 -0.627 8.369 1.00 0.00 H new ATOM 1494 N ASP A 100 11.927 -3.922 3.586 1.00 0.00 N ATOM 1495 CA ASP A 100 12.189 -5.053 4.468 1.00 0.00 C ATOM 1496 C ASP A 100 12.332 -4.592 5.915 1.00 0.00 C ATOM 1497 O ASP A 100 13.443 -4.428 6.418 1.00 0.00 O ATOM 1498 CB ASP A 100 13.455 -5.789 4.027 1.00 0.00 C ATOM 1499 CG ASP A 100 14.073 -6.601 5.147 1.00 0.00 C ATOM 1500 OD1 ASP A 100 13.477 -7.628 5.536 1.00 0.00 O ATOM 1501 OD2 ASP A 100 15.154 -6.211 5.636 1.00 0.00 O ATOM 0 H ASP A 100 12.669 -3.222 3.566 1.00 0.00 H new ATOM 0 HA ASP A 100 11.341 -5.735 4.405 1.00 0.00 H new ATOM 0 HB2 ASP A 100 13.216 -6.449 3.193 1.00 0.00 H new ATOM 0 HB3 ASP A 100 14.184 -5.065 3.662 1.00 0.00 H new ATOM 1506 N GLY A 101 11.200 -4.383 6.580 1.00 0.00 N ATOM 1507 CA GLY A 101 11.221 -3.942 7.962 1.00 0.00 C ATOM 1508 C GLY A 101 9.897 -4.170 8.664 1.00 0.00 C ATOM 1509 O GLY A 101 9.194 -5.138 8.379 1.00 0.00 O ATOM 0 H GLY A 101 10.268 -4.511 6.186 1.00 0.00 H new ATOM 0 HA2 GLY A 101 12.009 -4.472 8.497 1.00 0.00 H new ATOM 0 HA3 GLY A 101 11.470 -2.881 7.998 1.00 0.00 H new ATOM 1513 N GLY A 102 9.557 -3.276 9.587 1.00 0.00 N ATOM 1514 CA GLY A 102 8.310 -3.403 10.319 1.00 0.00 C ATOM 1515 C GLY A 102 7.117 -2.919 9.520 1.00 0.00 C ATOM 1516 O GLY A 102 7.223 -1.967 8.747 1.00 0.00 O ATOM 0 H GLY A 102 10.123 -2.466 9.841 1.00 0.00 H new ATOM 0 HA2 GLY A 102 8.159 -4.447 10.595 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.377 -2.834 11.246 1.00 0.00 H new ATOM 1520 N ARG A 103 5.977 -3.578 9.705 1.00 0.00 N ATOM 1521 CA ARG A 103 4.759 -3.211 8.993 1.00 0.00 C ATOM 1522 C ARG A 103 3.874 -2.314 9.854 1.00 0.00 C ATOM 1523 O ARG A 103 2.660 -2.247 9.658 1.00 0.00 O ATOM 1524 CB ARG A 103 3.985 -4.465 8.582 1.00 0.00 C ATOM 1525 CG ARG A 103 3.275 -5.149 9.739 1.00 0.00 C ATOM 1526 CD ARG A 103 4.103 -6.293 10.303 1.00 0.00 C ATOM 1527 NE ARG A 103 3.724 -6.618 11.676 1.00 0.00 N ATOM 1528 CZ ARG A 103 4.573 -7.098 12.578 1.00 0.00 C ATOM 1529 NH1 ARG A 103 5.841 -7.307 12.255 1.00 0.00 N ATOM 1530 NH2 ARG A 103 4.152 -7.369 13.807 1.00 0.00 N ATOM 0 H ARG A 103 5.872 -4.368 10.342 1.00 0.00 H new ATOM 0 HA ARG A 103 5.045 -2.659 8.098 1.00 0.00 H new ATOM 0 HB2 ARG A 103 3.250 -4.196 7.824 1.00 0.00 H new ATOM 0 HB3 ARG A 103 4.674 -5.172 8.121 1.00 0.00 H new ATOM 0 HG2 ARG A 103 3.074 -4.421 10.525 1.00 0.00 H new ATOM 0 HG3 ARG A 103 2.310 -5.528 9.402 1.00 0.00 H new ATOM 0 HD2 ARG A 103 3.979 -7.175 9.674 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.159 -6.026 10.272 1.00 0.00 H new ATOM 0 HE ARG A 103 2.755 -6.468 11.957 1.00 0.00 H new ATOM 0 HH11 ARG A 103 6.168 -7.099 11.311 1.00 0.00 H new ATOM 0 HH12 ARG A 103 6.490 -7.676 12.950 1.00 0.00 H new ATOM 0 HH21 ARG A 103 3.177 -7.209 14.059 1.00 0.00 H new ATOM 0 HH22 ARG A 103 4.804 -7.738 14.500 1.00 0.00 H new ATOM 1544 N THR A 104 4.491 -1.626 10.811 1.00 0.00 N ATOM 1545 CA THR A 104 3.761 -0.735 11.703 1.00 0.00 C ATOM 1546 C THR A 104 3.787 0.700 11.191 1.00 0.00 C ATOM 1547 O THR A 104 4.848 1.231 10.860 1.00 0.00 O ATOM 1548 CB THR A 104 4.341 -0.770 13.130 1.00 0.00 C ATOM 1549 OG1 THR A 104 5.752 -0.532 13.090 1.00 0.00 O ATOM 1550 CG2 THR A 104 4.066 -2.111 13.794 1.00 0.00 C ATOM 0 H THR A 104 5.495 -1.670 10.987 1.00 0.00 H new ATOM 0 HA THR A 104 2.730 -1.089 11.728 1.00 0.00 H new ATOM 0 HB THR A 104 3.857 0.012 13.715 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.113 -0.554 14.001 1.00 0.00 H new ATOM 0 HG21 THR A 104 4.485 -2.111 14.800 1.00 0.00 H new ATOM 0 HG22 THR A 104 2.990 -2.276 13.849 1.00 0.00 H new ATOM 0 HG23 THR A 104 4.526 -2.908 13.209 1.00 0.00 H new ATOM 1558 N ARG A 105 2.615 1.323 11.127 1.00 0.00 N ATOM 1559 CA ARG A 105 2.505 2.697 10.654 1.00 0.00 C ATOM 1560 C ARG A 105 3.732 3.510 11.054 1.00 0.00 C ATOM 1561 O ARG A 105 4.181 4.383 10.311 1.00 0.00 O ATOM 1562 CB ARG A 105 1.241 3.352 11.214 1.00 0.00 C ATOM 1563 CG ARG A 105 1.416 3.913 12.616 1.00 0.00 C ATOM 1564 CD ARG A 105 0.078 4.076 13.321 1.00 0.00 C ATOM 1565 NE ARG A 105 0.222 4.715 14.626 1.00 0.00 N ATOM 1566 CZ ARG A 105 0.367 6.025 14.791 1.00 0.00 C ATOM 1567 NH1 ARG A 105 0.387 6.831 13.739 1.00 0.00 N ATOM 1568 NH2 ARG A 105 0.493 6.531 16.012 1.00 0.00 N ATOM 0 H ARG A 105 1.728 0.898 11.397 1.00 0.00 H new ATOM 0 HA ARG A 105 2.444 2.676 9.566 1.00 0.00 H new ATOM 0 HB2 ARG A 105 0.932 4.156 10.546 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.435 2.618 11.223 1.00 0.00 H new ATOM 0 HG2 ARG A 105 2.057 3.250 13.197 1.00 0.00 H new ATOM 0 HG3 ARG A 105 1.921 4.878 12.563 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.590 4.671 12.698 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -0.388 3.098 13.445 1.00 0.00 H new ATOM 0 HE ARG A 105 0.211 4.123 15.456 1.00 0.00 H new ATOM 0 HH11 ARG A 105 0.291 6.446 12.799 1.00 0.00 H new ATOM 0 HH12 ARG A 105 0.498 7.837 13.869 1.00 0.00 H new ATOM 0 HH21 ARG A 105 0.479 5.914 16.824 1.00 0.00 H new ATOM 0 HH22 ARG A 105 0.604 7.537 16.138 1.00 0.00 H new ATOM 1582 N SER A 106 4.270 3.218 12.235 1.00 0.00 N ATOM 1583 CA SER A 106 5.442 3.925 12.736 1.00 0.00 C ATOM 1584 C SER A 106 6.607 3.809 11.757 1.00 0.00 C ATOM 1585 O SER A 106 7.125 4.814 11.270 1.00 0.00 O ATOM 1586 CB SER A 106 5.853 3.371 14.102 1.00 0.00 C ATOM 1587 OG SER A 106 4.884 3.678 15.089 1.00 0.00 O ATOM 0 H SER A 106 3.912 2.497 12.862 1.00 0.00 H new ATOM 0 HA SER A 106 5.182 4.978 12.842 1.00 0.00 H new ATOM 0 HB2 SER A 106 5.980 2.290 14.036 1.00 0.00 H new ATOM 0 HB3 SER A 106 6.817 3.788 14.392 1.00 0.00 H new ATOM 0 HG SER A 106 5.169 3.312 15.952 1.00 0.00 H new ATOM 1593 N ASP A 107 7.013 2.577 11.474 1.00 0.00 N ATOM 1594 CA ASP A 107 8.115 2.328 10.552 1.00 0.00 C ATOM 1595 C ASP A 107 7.718 2.681 9.122 1.00 0.00 C ATOM 1596 O ASP A 107 8.400 3.456 8.452 1.00 0.00 O ATOM 1597 CB ASP A 107 8.550 0.863 10.627 1.00 0.00 C ATOM 1598 CG ASP A 107 8.972 0.456 12.025 1.00 0.00 C ATOM 1599 OD1 ASP A 107 8.153 0.595 12.957 1.00 0.00 O ATOM 1600 OD2 ASP A 107 10.122 -0.003 12.187 1.00 0.00 O ATOM 0 H ASP A 107 6.596 1.735 11.870 1.00 0.00 H new ATOM 0 HA ASP A 107 8.951 2.963 10.845 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.729 0.226 10.298 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.378 0.697 9.938 1.00 0.00 H new ATOM 1605 N ILE A 108 6.612 2.106 8.662 1.00 0.00 N ATOM 1606 CA ILE A 108 6.125 2.360 7.312 1.00 0.00 C ATOM 1607 C ILE A 108 6.164 3.849 6.984 1.00 0.00 C ATOM 1608 O ILE A 108 6.624 4.248 5.914 1.00 0.00 O ATOM 1609 CB ILE A 108 4.686 1.843 7.126 1.00 0.00 C ATOM 1610 CG1 ILE A 108 4.622 0.339 7.399 1.00 0.00 C ATOM 1611 CG2 ILE A 108 4.189 2.153 5.722 1.00 0.00 C ATOM 1612 CD1 ILE A 108 3.245 -0.145 7.797 1.00 0.00 C ATOM 0 H ILE A 108 6.037 1.461 9.204 1.00 0.00 H new ATOM 0 HA ILE A 108 6.786 1.823 6.632 1.00 0.00 H new ATOM 0 HB ILE A 108 4.038 2.351 7.840 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.943 -0.198 6.506 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.328 0.091 8.191 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.171 1.781 5.606 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.202 3.231 5.561 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.837 1.669 4.991 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.275 -1.220 7.975 1.00 0.00 H new ATOM 0 HD12 ILE A 108 2.929 0.365 8.707 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.538 0.071 6.996 1.00 0.00 H new ATOM 1624 N VAL A 109 5.681 4.667 7.914 1.00 0.00 N ATOM 1625 CA VAL A 109 5.663 6.112 7.726 1.00 0.00 C ATOM 1626 C VAL A 109 7.069 6.695 7.811 1.00 0.00 C ATOM 1627 O VAL A 109 7.475 7.491 6.965 1.00 0.00 O ATOM 1628 CB VAL A 109 4.768 6.803 8.771 1.00 0.00 C ATOM 1629 CG1 VAL A 109 4.939 8.314 8.706 1.00 0.00 C ATOM 1630 CG2 VAL A 109 3.312 6.414 8.567 1.00 0.00 C ATOM 0 H VAL A 109 5.297 4.353 8.805 1.00 0.00 H new ATOM 0 HA VAL A 109 5.256 6.297 6.732 1.00 0.00 H new ATOM 0 HB VAL A 109 5.074 6.469 9.763 1.00 0.00 H new ATOM 0 HG11 VAL A 109 4.299 8.785 9.452 1.00 0.00 H new ATOM 0 HG12 VAL A 109 5.979 8.571 8.906 1.00 0.00 H new ATOM 0 HG13 VAL A 109 4.662 8.669 7.713 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.694 6.912 9.314 1.00 0.00 H new ATOM 0 HG22 VAL A 109 2.991 6.717 7.570 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.206 5.334 8.670 1.00 0.00 H new ATOM 1640 N SER A 110 7.809 6.292 8.840 1.00 0.00 N ATOM 1641 CA SER A 110 9.170 6.777 9.039 1.00 0.00 C ATOM 1642 C SER A 110 9.987 6.642 7.758 1.00 0.00 C ATOM 1643 O SER A 110 10.802 7.506 7.435 1.00 0.00 O ATOM 1644 CB SER A 110 9.847 6.005 10.173 1.00 0.00 C ATOM 1645 OG SER A 110 11.140 6.521 10.439 1.00 0.00 O ATOM 0 H SER A 110 7.489 5.631 9.548 1.00 0.00 H new ATOM 0 HA SER A 110 9.119 7.832 9.307 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.236 6.064 11.074 1.00 0.00 H new ATOM 0 HB3 SER A 110 9.920 4.951 9.907 1.00 0.00 H new ATOM 0 HG SER A 110 11.552 6.012 11.168 1.00 0.00 H new ATOM 1651 N ARG A 111 9.762 5.552 7.032 1.00 0.00 N ATOM 1652 CA ARG A 111 10.478 5.302 5.786 1.00 0.00 C ATOM 1653 C ARG A 111 9.972 6.219 4.676 1.00 0.00 C ATOM 1654 O ARG A 111 10.746 6.954 4.064 1.00 0.00 O ATOM 1655 CB ARG A 111 10.320 3.840 5.367 1.00 0.00 C ATOM 1656 CG ARG A 111 10.766 3.564 3.940 1.00 0.00 C ATOM 1657 CD ARG A 111 12.274 3.691 3.793 1.00 0.00 C ATOM 1658 NE ARG A 111 12.795 2.834 2.732 1.00 0.00 N ATOM 1659 CZ ARG A 111 13.009 1.531 2.877 1.00 0.00 C ATOM 1660 NH1 ARG A 111 12.749 0.939 4.034 1.00 0.00 N ATOM 1661 NH2 ARG A 111 13.485 0.818 1.864 1.00 0.00 N ATOM 0 H ARG A 111 9.090 4.828 7.285 1.00 0.00 H new ATOM 0 HA ARG A 111 11.534 5.512 5.954 1.00 0.00 H new ATOM 0 HB2 ARG A 111 10.896 3.212 6.047 1.00 0.00 H new ATOM 0 HB3 ARG A 111 9.275 3.551 5.474 1.00 0.00 H new ATOM 0 HG2 ARG A 111 10.454 2.561 3.648 1.00 0.00 H new ATOM 0 HG3 ARG A 111 10.273 4.261 3.262 1.00 0.00 H new ATOM 0 HD2 ARG A 111 12.531 4.729 3.580 1.00 0.00 H new ATOM 0 HD3 ARG A 111 12.753 3.431 4.737 1.00 0.00 H new ATOM 0 HE ARG A 111 13.006 3.259 1.829 1.00 0.00 H new ATOM 0 HH11 ARG A 111 12.384 1.484 4.815 1.00 0.00 H new ATOM 0 HH12 ARG A 111 12.914 -0.062 4.143 1.00 0.00 H new ATOM 0 HH21 ARG A 111 13.687 1.270 0.972 1.00 0.00 H new ATOM 0 HH22 ARG A 111 13.649 -0.182 1.977 1.00 0.00 H new ATOM 1675 N ALA A 112 8.669 6.167 4.421 1.00 0.00 N ATOM 1676 CA ALA A 112 8.060 6.993 3.386 1.00 0.00 C ATOM 1677 C ALA A 112 8.570 8.428 3.457 1.00 0.00 C ATOM 1678 O ALA A 112 8.779 9.076 2.431 1.00 0.00 O ATOM 1679 CB ALA A 112 6.544 6.962 3.510 1.00 0.00 C ATOM 0 H ALA A 112 8.015 5.562 4.917 1.00 0.00 H new ATOM 0 HA ALA A 112 8.342 6.583 2.416 1.00 0.00 H new ATOM 0 HB1 ALA A 112 6.102 7.583 2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 112 6.191 5.937 3.400 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.251 7.344 4.488 1.00 0.00 H new ATOM 1685 N LEU A 113 8.767 8.920 4.675 1.00 0.00 N ATOM 1686 CA LEU A 113 9.253 10.281 4.881 1.00 0.00 C ATOM 1687 C LEU A 113 10.606 10.484 4.207 1.00 0.00 C ATOM 1688 O LEU A 113 10.858 11.525 3.600 1.00 0.00 O ATOM 1689 CB LEU A 113 9.364 10.582 6.377 1.00 0.00 C ATOM 1690 CG LEU A 113 8.075 11.022 7.071 1.00 0.00 C ATOM 1691 CD1 LEU A 113 8.249 11.004 8.581 1.00 0.00 C ATOM 1692 CD2 LEU A 113 7.659 12.406 6.597 1.00 0.00 C ATOM 0 H LEU A 113 8.598 8.398 5.535 1.00 0.00 H new ATOM 0 HA LEU A 113 8.538 10.969 4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 113 9.737 9.690 6.880 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.112 11.363 6.516 1.00 0.00 H new ATOM 0 HG LEU A 113 7.286 10.318 6.808 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.321 11.320 9.058 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.499 9.994 8.906 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.052 11.685 8.863 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.740 12.702 7.102 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.447 13.122 6.829 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.492 12.387 5.520 1.00 0.00 H new ATOM 1704 N ASP A 114 11.472 9.482 4.317 1.00 0.00 N ATOM 1705 CA ASP A 114 12.799 9.549 3.715 1.00 0.00 C ATOM 1706 C ASP A 114 12.703 9.814 2.216 1.00 0.00 C ATOM 1707 O ASP A 114 13.484 10.587 1.660 1.00 0.00 O ATOM 1708 CB ASP A 114 13.563 8.249 3.969 1.00 0.00 C ATOM 1709 CG ASP A 114 15.066 8.440 3.909 1.00 0.00 C ATOM 1710 OD1 ASP A 114 15.645 8.908 4.912 1.00 0.00 O ATOM 1711 OD2 ASP A 114 15.663 8.121 2.860 1.00 0.00 O ATOM 0 H ASP A 114 11.279 8.614 4.817 1.00 0.00 H new ATOM 0 HA ASP A 114 13.340 10.375 4.177 1.00 0.00 H new ATOM 0 HB2 ASP A 114 13.288 7.855 4.947 1.00 0.00 H new ATOM 0 HB3 ASP A 114 13.264 7.505 3.230 1.00 0.00 H new ATOM 1716 N LEU A 115 11.741 9.167 1.567 1.00 0.00 N ATOM 1717 CA LEU A 115 11.543 9.331 0.131 1.00 0.00 C ATOM 1718 C LEU A 115 10.926 10.691 -0.182 1.00 0.00 C ATOM 1719 O LEU A 115 11.343 11.373 -1.118 1.00 0.00 O ATOM 1720 CB LEU A 115 10.649 8.215 -0.412 1.00 0.00 C ATOM 1721 CG LEU A 115 11.059 6.789 -0.045 1.00 0.00 C ATOM 1722 CD1 LEU A 115 9.873 5.844 -0.170 1.00 0.00 C ATOM 1723 CD2 LEU A 115 12.210 6.322 -0.923 1.00 0.00 C ATOM 0 H LEU A 115 11.086 8.524 2.012 1.00 0.00 H new ATOM 0 HA LEU A 115 12.518 9.275 -0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.633 8.383 -0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.621 8.295 -1.499 1.00 0.00 H new ATOM 0 HG LEU A 115 11.395 6.783 0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 115 10.184 4.833 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.078 6.167 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.507 5.853 -1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 115 12.488 5.305 -0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 115 11.902 6.343 -1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 115 13.066 6.983 -0.783 1.00 0.00 H new ATOM 1735 N PHE A 116 9.931 11.079 0.609 1.00 0.00 N ATOM 1736 CA PHE A 116 9.257 12.358 0.418 1.00 0.00 C ATOM 1737 C PHE A 116 10.266 13.500 0.349 1.00 0.00 C ATOM 1738 O PHE A 116 10.113 14.431 -0.442 1.00 0.00 O ATOM 1739 CB PHE A 116 8.262 12.609 1.553 1.00 0.00 C ATOM 1740 CG PHE A 116 7.594 13.952 1.478 1.00 0.00 C ATOM 1741 CD1 PHE A 116 6.796 14.284 0.395 1.00 0.00 C ATOM 1742 CD2 PHE A 116 7.763 14.882 2.491 1.00 0.00 C ATOM 1743 CE1 PHE A 116 6.181 15.520 0.324 1.00 0.00 C ATOM 1744 CE2 PHE A 116 7.150 16.119 2.426 1.00 0.00 C ATOM 1745 CZ PHE A 116 6.357 16.438 1.341 1.00 0.00 C ATOM 0 H PHE A 116 9.574 10.526 1.388 1.00 0.00 H new ATOM 0 HA PHE A 116 8.716 12.317 -0.527 1.00 0.00 H new ATOM 0 HB2 PHE A 116 7.499 11.831 1.535 1.00 0.00 H new ATOM 0 HB3 PHE A 116 8.782 12.524 2.507 1.00 0.00 H new ATOM 0 HD1 PHE A 116 6.653 13.570 -0.402 1.00 0.00 H new ATOM 0 HD2 PHE A 116 8.381 14.637 3.342 1.00 0.00 H new ATOM 0 HE1 PHE A 116 5.563 15.768 -0.526 1.00 0.00 H new ATOM 0 HE2 PHE A 116 7.291 16.835 3.222 1.00 0.00 H new ATOM 0 HZ PHE A 116 5.876 17.403 1.288 1.00 0.00 H new ATOM 1755 N SER A 117 11.297 13.421 1.184 1.00 0.00 N ATOM 1756 CA SER A 117 12.330 14.450 1.222 1.00 0.00 C ATOM 1757 C SER A 117 13.454 14.128 0.242 1.00 0.00 C ATOM 1758 O SER A 117 14.590 14.569 0.416 1.00 0.00 O ATOM 1759 CB SER A 117 12.895 14.583 2.638 1.00 0.00 C ATOM 1760 OG SER A 117 11.989 15.266 3.486 1.00 0.00 O ATOM 0 H SER A 117 11.439 12.656 1.843 1.00 0.00 H new ATOM 0 HA SER A 117 11.876 15.397 0.929 1.00 0.00 H new ATOM 0 HB2 SER A 117 13.103 13.593 3.044 1.00 0.00 H new ATOM 0 HB3 SER A 117 13.843 15.120 2.606 1.00 0.00 H new ATOM 0 HG SER A 117 12.372 15.337 4.385 1.00 0.00 H new ATOM 1766 N ASP A 118 13.128 13.356 -0.789 1.00 0.00 N ATOM 1767 CA ASP A 118 14.109 12.975 -1.799 1.00 0.00 C ATOM 1768 C ASP A 118 13.567 13.224 -3.203 1.00 0.00 C ATOM 1769 O ASP A 118 14.320 13.541 -4.123 1.00 0.00 O ATOM 1770 CB ASP A 118 14.491 11.503 -1.639 1.00 0.00 C ATOM 1771 CG ASP A 118 15.824 11.178 -2.283 1.00 0.00 C ATOM 1772 OD1 ASP A 118 16.009 11.520 -3.470 1.00 0.00 O ATOM 1773 OD2 ASP A 118 16.683 10.580 -1.601 1.00 0.00 O ATOM 0 H ASP A 118 12.192 12.982 -0.947 1.00 0.00 H new ATOM 0 HA ASP A 118 14.998 13.590 -1.658 1.00 0.00 H new ATOM 0 HB2 ASP A 118 14.533 11.255 -0.578 1.00 0.00 H new ATOM 0 HB3 ASP A 118 13.715 10.879 -2.082 1.00 0.00 H new ATOM 1778 N ASN A 119 12.255 13.076 -3.361 1.00 0.00 N ATOM 1779 CA ASN A 119 11.613 13.283 -4.654 1.00 0.00 C ATOM 1780 C ASN A 119 10.550 14.374 -4.565 1.00 0.00 C ATOM 1781 O ASN A 119 10.406 15.190 -5.474 1.00 0.00 O ATOM 1782 CB ASN A 119 10.982 11.980 -5.147 1.00 0.00 C ATOM 1783 CG ASN A 119 10.534 11.086 -4.007 1.00 0.00 C ATOM 1784 OD1 ASN A 119 11.206 10.113 -3.666 1.00 0.00 O ATOM 1785 ND2 ASN A 119 9.393 11.414 -3.412 1.00 0.00 N ATOM 0 H ASN A 119 11.616 12.814 -2.610 1.00 0.00 H new ATOM 0 HA ASN A 119 12.376 13.601 -5.364 1.00 0.00 H new ATOM 0 HB2 ASN A 119 10.126 12.211 -5.781 1.00 0.00 H new ATOM 0 HB3 ASN A 119 11.701 11.443 -5.765 1.00 0.00 H new ATOM 0 HD21 ASN A 119 9.041 10.850 -2.638 1.00 0.00 H new ATOM 0 HD22 ASN A 119 8.869 12.230 -3.728 1.00 0.00 H new ATOM 1792 N ALA A 120 9.808 14.381 -3.462 1.00 0.00 N ATOM 1793 CA ALA A 120 8.761 15.373 -3.253 1.00 0.00 C ATOM 1794 C ALA A 120 9.348 16.775 -3.131 1.00 0.00 C ATOM 1795 O ALA A 120 10.536 16.955 -2.864 1.00 0.00 O ATOM 1796 CB ALA A 120 7.949 15.029 -2.012 1.00 0.00 C ATOM 0 H ALA A 120 9.913 13.711 -2.700 1.00 0.00 H new ATOM 0 HA ALA A 120 8.102 15.358 -4.121 1.00 0.00 H new ATOM 0 HB1 ALA A 120 7.170 15.778 -1.867 1.00 0.00 H new ATOM 0 HB2 ALA A 120 7.490 14.048 -2.138 1.00 0.00 H new ATOM 0 HB3 ALA A 120 8.604 15.014 -1.141 1.00 0.00 H new ATOM 1802 N PRO A 121 8.498 17.793 -3.332 1.00 0.00 N ATOM 1803 CA PRO A 121 8.911 19.197 -3.250 1.00 0.00 C ATOM 1804 C PRO A 121 9.238 19.623 -1.823 1.00 0.00 C ATOM 1805 O PRO A 121 8.634 19.158 -0.857 1.00 0.00 O ATOM 1806 CB PRO A 121 7.688 19.957 -3.768 1.00 0.00 C ATOM 1807 CG PRO A 121 6.537 19.050 -3.501 1.00 0.00 C ATOM 1808 CD PRO A 121 7.068 17.652 -3.653 1.00 0.00 C ATOM 0 HA PRO A 121 9.821 19.388 -3.819 1.00 0.00 H new ATOM 0 HB2 PRO A 121 7.568 20.911 -3.254 1.00 0.00 H new ATOM 0 HB3 PRO A 121 7.780 20.177 -4.832 1.00 0.00 H new ATOM 0 HG2 PRO A 121 6.139 19.209 -2.499 1.00 0.00 H new ATOM 0 HG3 PRO A 121 5.723 19.236 -4.201 1.00 0.00 H new ATOM 0 HD2 PRO A 121 6.571 16.958 -2.976 1.00 0.00 H new ATOM 0 HD3 PRO A 121 6.919 17.273 -4.664 1.00 0.00 H new ATOM 1816 N PRO A 122 10.218 20.529 -1.685 1.00 0.00 N ATOM 1817 CA PRO A 122 10.647 21.038 -0.379 1.00 0.00 C ATOM 1818 C PRO A 122 9.594 21.932 0.269 1.00 0.00 C ATOM 1819 O PRO A 122 9.134 22.913 -0.315 1.00 0.00 O ATOM 1820 CB PRO A 122 11.905 21.845 -0.708 1.00 0.00 C ATOM 1821 CG PRO A 122 11.734 22.249 -2.132 1.00 0.00 C ATOM 1822 CD PRO A 122 10.982 21.127 -2.793 1.00 0.00 C ATOM 0 HA PRO A 122 10.816 20.233 0.337 1.00 0.00 H new ATOM 0 HB2 PRO A 122 11.998 22.715 -0.058 1.00 0.00 H new ATOM 0 HB3 PRO A 122 12.806 21.247 -0.572 1.00 0.00 H new ATOM 0 HG2 PRO A 122 11.183 23.186 -2.208 1.00 0.00 H new ATOM 0 HG3 PRO A 122 12.700 22.407 -2.612 1.00 0.00 H new ATOM 0 HD2 PRO A 122 10.325 21.493 -3.582 1.00 0.00 H new ATOM 0 HD3 PRO A 122 11.658 20.405 -3.251 1.00 0.00 H new ATOM 1830 N PRO A 123 9.203 21.587 1.505 1.00 0.00 N ATOM 1831 CA PRO A 123 8.202 22.347 2.259 1.00 0.00 C ATOM 1832 C PRO A 123 8.719 23.713 2.697 1.00 0.00 C ATOM 1833 O PRO A 123 9.731 23.809 3.391 1.00 0.00 O ATOM 1834 CB PRO A 123 7.929 21.462 3.478 1.00 0.00 C ATOM 1835 CG PRO A 123 9.171 20.657 3.647 1.00 0.00 C ATOM 1836 CD PRO A 123 9.710 20.430 2.262 1.00 0.00 C ATOM 0 HA PRO A 123 7.315 22.558 1.661 1.00 0.00 H new ATOM 0 HB2 PRO A 123 7.722 22.062 4.364 1.00 0.00 H new ATOM 0 HB3 PRO A 123 7.061 20.822 3.317 1.00 0.00 H new ATOM 0 HG2 PRO A 123 9.896 21.184 4.266 1.00 0.00 H new ATOM 0 HG3 PRO A 123 8.958 19.710 4.143 1.00 0.00 H new ATOM 0 HD2 PRO A 123 10.799 20.392 2.256 1.00 0.00 H new ATOM 0 HD3 PRO A 123 9.356 19.489 1.842 1.00 0.00 H new ATOM 1844 N GLU A 124 8.017 24.765 2.289 1.00 0.00 N ATOM 1845 CA GLU A 124 8.408 26.126 2.640 1.00 0.00 C ATOM 1846 C GLU A 124 8.664 26.248 4.139 1.00 0.00 C ATOM 1847 O GLU A 124 8.313 25.358 4.916 1.00 0.00 O ATOM 1848 CB GLU A 124 7.323 27.117 2.215 1.00 0.00 C ATOM 1849 CG GLU A 124 5.971 26.852 2.856 1.00 0.00 C ATOM 1850 CD GLU A 124 4.843 27.597 2.168 1.00 0.00 C ATOM 1851 OE1 GLU A 124 4.949 28.832 2.022 1.00 0.00 O ATOM 1852 OE2 GLU A 124 3.854 26.943 1.774 1.00 0.00 O ATOM 0 H GLU A 124 7.176 24.702 1.716 1.00 0.00 H new ATOM 0 HA GLU A 124 9.332 26.360 2.110 1.00 0.00 H new ATOM 0 HB2 GLU A 124 7.645 28.127 2.470 1.00 0.00 H new ATOM 0 HB3 GLU A 124 7.215 27.081 1.131 1.00 0.00 H new ATOM 0 HG2 GLU A 124 5.764 25.782 2.830 1.00 0.00 H new ATOM 0 HG3 GLU A 124 6.007 27.144 3.906 1.00 0.00 H new ATOM 1859 N LEU A 125 9.278 27.355 4.540 1.00 0.00 N ATOM 1860 CA LEU A 125 9.583 27.595 5.946 1.00 0.00 C ATOM 1861 C LEU A 125 8.305 27.808 6.752 1.00 0.00 C ATOM 1862 O LEU A 125 7.421 28.562 6.345 1.00 0.00 O ATOM 1863 CB LEU A 125 10.498 28.813 6.090 1.00 0.00 C ATOM 1864 CG LEU A 125 11.964 28.598 5.713 1.00 0.00 C ATOM 1865 CD1 LEU A 125 12.162 28.779 4.215 1.00 0.00 C ATOM 1866 CD2 LEU A 125 12.860 29.552 6.490 1.00 0.00 C ATOM 0 H LEU A 125 9.575 28.101 3.911 1.00 0.00 H new ATOM 0 HA LEU A 125 10.095 26.715 6.336 1.00 0.00 H new ATOM 0 HB2 LEU A 125 10.099 29.618 5.472 1.00 0.00 H new ATOM 0 HB3 LEU A 125 10.456 29.154 7.124 1.00 0.00 H new ATOM 0 HG LEU A 125 12.241 27.577 5.975 1.00 0.00 H new ATOM 0 HD11 LEU A 125 13.211 28.622 3.965 1.00 0.00 H new ATOM 0 HD12 LEU A 125 11.549 28.056 3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 125 11.868 29.789 3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 125 13.900 29.385 6.209 1.00 0.00 H new ATOM 0 HD22 LEU A 125 12.583 30.581 6.260 1.00 0.00 H new ATOM 0 HD23 LEU A 125 12.740 29.375 7.559 1.00 0.00 H new ATOM 1878 N LEU A 126 8.216 27.140 7.896 1.00 0.00 N ATOM 1879 CA LEU A 126 7.047 27.257 8.761 1.00 0.00 C ATOM 1880 C LEU A 126 7.401 26.913 10.205 1.00 0.00 C ATOM 1881 O LEU A 126 8.023 25.886 10.473 1.00 0.00 O ATOM 1882 CB LEU A 126 5.928 26.339 8.266 1.00 0.00 C ATOM 1883 CG LEU A 126 4.500 26.804 8.556 1.00 0.00 C ATOM 1884 CD1 LEU A 126 4.235 28.151 7.900 1.00 0.00 C ATOM 1885 CD2 LEU A 126 3.494 25.769 8.076 1.00 0.00 C ATOM 0 H LEU A 126 8.939 26.512 8.247 1.00 0.00 H new ATOM 0 HA LEU A 126 6.703 28.291 8.727 1.00 0.00 H new ATOM 0 HB2 LEU A 126 6.037 26.215 7.188 1.00 0.00 H new ATOM 0 HB3 LEU A 126 6.067 25.356 8.715 1.00 0.00 H new ATOM 0 HG LEU A 126 4.387 26.918 9.634 1.00 0.00 H new ATOM 0 HD11 LEU A 126 3.214 28.467 8.117 1.00 0.00 H new ATOM 0 HD12 LEU A 126 4.934 28.890 8.291 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.366 28.063 6.822 1.00 0.00 H new ATOM 0 HD21 LEU A 126 2.484 26.117 8.291 1.00 0.00 H new ATOM 0 HD22 LEU A 126 3.607 25.623 7.002 1.00 0.00 H new ATOM 0 HD23 LEU A 126 3.670 24.825 8.591 1.00 0.00 H new ATOM 1897 N GLU A 127 6.998 27.779 11.130 1.00 0.00 N ATOM 1898 CA GLU A 127 7.272 27.566 12.546 1.00 0.00 C ATOM 1899 C GLU A 127 5.975 27.399 13.332 1.00 0.00 C ATOM 1900 O GLU A 127 5.812 26.440 14.086 1.00 0.00 O ATOM 1901 CB GLU A 127 8.079 28.735 13.114 1.00 0.00 C ATOM 1902 CG GLU A 127 8.784 28.410 14.420 1.00 0.00 C ATOM 1903 CD GLU A 127 7.815 28.102 15.545 1.00 0.00 C ATOM 1904 OE1 GLU A 127 7.017 28.993 15.902 1.00 0.00 O ATOM 1905 OE2 GLU A 127 7.855 26.968 16.067 1.00 0.00 O ATOM 0 H GLU A 127 6.481 28.634 10.924 1.00 0.00 H new ATOM 0 HA GLU A 127 7.856 26.651 12.643 1.00 0.00 H new ATOM 0 HB2 GLU A 127 8.821 29.045 12.378 1.00 0.00 H new ATOM 0 HB3 GLU A 127 7.413 29.583 13.272 1.00 0.00 H new ATOM 0 HG2 GLU A 127 9.444 27.555 14.270 1.00 0.00 H new ATOM 0 HG3 GLU A 127 9.414 29.252 14.708 1.00 0.00 H new ATOM 1912 N SER A 128 5.055 28.341 13.151 1.00 0.00 N ATOM 1913 CA SER A 128 3.774 28.302 13.846 1.00 0.00 C ATOM 1914 C SER A 128 2.722 29.110 13.092 1.00 0.00 C ATOM 1915 O SER A 128 2.937 30.276 12.762 1.00 0.00 O ATOM 1916 CB SER A 128 3.925 28.843 15.269 1.00 0.00 C ATOM 1917 OG SER A 128 2.661 29.011 15.888 1.00 0.00 O ATOM 0 H SER A 128 5.173 29.141 12.529 1.00 0.00 H new ATOM 0 HA SER A 128 3.446 27.264 13.892 1.00 0.00 H new ATOM 0 HB2 SER A 128 4.534 28.158 15.859 1.00 0.00 H new ATOM 0 HB3 SER A 128 4.451 29.797 15.245 1.00 0.00 H new ATOM 0 HG SER A 128 2.785 29.356 16.797 1.00 0.00 H new ATOM 1923 N GLY A 129 1.582 28.481 12.822 1.00 0.00 N ATOM 1924 CA GLY A 129 0.513 29.155 12.109 1.00 0.00 C ATOM 1925 C GLY A 129 -0.220 30.159 12.977 1.00 0.00 C ATOM 1926 O GLY A 129 -0.240 31.357 12.696 1.00 0.00 O ATOM 0 H GLY A 129 1.380 27.516 13.085 1.00 0.00 H new ATOM 0 HA2 GLY A 129 0.926 29.665 11.239 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -0.196 28.414 11.738 1.00 0.00 H new ATOM 1930 N PRO A 130 -0.841 29.668 14.060 1.00 0.00 N ATOM 1931 CA PRO A 130 -1.592 30.513 14.993 1.00 0.00 C ATOM 1932 C PRO A 130 -0.682 31.426 15.808 1.00 0.00 C ATOM 1933 O PRO A 130 -1.146 32.168 16.673 1.00 0.00 O ATOM 1934 CB PRO A 130 -2.290 29.501 15.905 1.00 0.00 C ATOM 1935 CG PRO A 130 -1.434 28.284 15.845 1.00 0.00 C ATOM 1936 CD PRO A 130 -0.858 28.250 14.456 1.00 0.00 C ATOM 0 HA PRO A 130 -2.277 31.184 14.475 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -2.372 29.878 16.925 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -3.303 29.290 15.561 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -0.643 28.326 16.594 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -2.018 27.386 16.047 1.00 0.00 H new ATOM 0 HD2 PRO A 130 0.143 27.818 14.446 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -1.470 27.652 13.781 1.00 0.00 H new ATOM 1944 N SER A 131 0.615 31.367 15.525 1.00 0.00 N ATOM 1945 CA SER A 131 1.591 32.186 16.235 1.00 0.00 C ATOM 1946 C SER A 131 1.003 33.550 16.584 1.00 0.00 C ATOM 1947 O SER A 131 1.217 34.068 17.680 1.00 0.00 O ATOM 1948 CB SER A 131 2.852 32.364 15.387 1.00 0.00 C ATOM 1949 OG SER A 131 2.589 33.155 14.241 1.00 0.00 O ATOM 0 H SER A 131 1.015 30.761 14.809 1.00 0.00 H new ATOM 0 HA SER A 131 1.854 31.674 17.161 1.00 0.00 H new ATOM 0 HB2 SER A 131 3.633 32.833 15.985 1.00 0.00 H new ATOM 0 HB3 SER A 131 3.229 31.388 15.080 1.00 0.00 H new ATOM 0 HG SER A 131 3.411 33.255 13.717 1.00 0.00 H new ATOM 1955 N SER A 132 0.260 34.126 15.644 1.00 0.00 N ATOM 1956 CA SER A 132 -0.357 35.431 15.850 1.00 0.00 C ATOM 1957 C SER A 132 -1.867 35.356 15.649 1.00 0.00 C ATOM 1958 O SER A 132 -2.638 35.472 16.600 1.00 0.00 O ATOM 1959 CB SER A 132 0.247 36.460 14.893 1.00 0.00 C ATOM 1960 OG SER A 132 0.003 36.106 13.543 1.00 0.00 O ATOM 0 H SER A 132 0.071 33.709 14.732 1.00 0.00 H new ATOM 0 HA SER A 132 -0.161 35.741 16.876 1.00 0.00 H new ATOM 0 HB2 SER A 132 -0.177 37.443 15.097 1.00 0.00 H new ATOM 0 HB3 SER A 132 1.321 36.534 15.064 1.00 0.00 H new ATOM 0 HG SER A 132 0.398 36.780 12.952 1.00 0.00 H new ATOM 1966 N GLY A 133 -2.282 35.162 14.400 1.00 0.00 N ATOM 1967 CA GLY A 133 -3.698 35.075 14.095 1.00 0.00 C ATOM 1968 C GLY A 133 -3.972 34.266 12.842 1.00 0.00 C ATOM 1969 O GLY A 133 -4.885 33.441 12.816 1.00 0.00 O ATOM 0 H GLY A 133 -1.663 35.064 13.595 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -4.221 34.623 14.938 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -4.102 36.080 13.971 1.00 0.00 H new TER 1973 GLY A 133