USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 757 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 68 HIS : no HD1:sc= 0.787 K(o=2,f=-1.3!) USER MOD Set 1.2: A 88 TYR OH : rot -2:sc= 1.25 USER MOD Set 2.1: A 76 ASN : amide:sc= 2.13 K(o=3.1,f=2.1) USER MOD Set 2.2: A 82 THR OG1 : rot 150:sc= 0.98 USER MOD Set 3.1: A 60 GLN : amide:sc=-0.00894 K(o=0.19,f=-4.3!) USER MOD Set 3.2: A 62 SER OG : rot -81:sc= 0.197 USER MOD Set 4.1: A 51 HIS : no HE2:sc= -0.0849 K(o=-3,f=-4.7) USER MOD Set 4.2: A 112 HIS : no HE2:sc= -2.94! C(o=-3!,f=-3.6!) USER MOD Set 5.1: A 19 TYR OH : rot 30:sc= 0.609 USER MOD Set 5.2: A 84 SER OG : rot -136:sc= 1.37 USER MOD Set 6.1: A 15 GLN : amide:sc= -0.452 K(o=0.2,f=1.5) USER MOD Set 6.2: A 87 ASN : amide:sc= 0.656 K(o=0.2,f=-5.8!) USER MOD Set 7.1: A 11 TYR OH : rot 180:sc= 0.0173 USER MOD Set 7.2: A 34 ASN : amide:sc= -0.873 K(o=-0.86,f=1.1) USER MOD Set 8.1: A 3 SER OG : rot 180:sc= 0.0106 USER MOD Set 8.2: A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0147 USER MOD Single : A 6 HIS : no HD1:sc= 1.3 K(o=1.3,f=-4.9!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 1.38 K(o=1.4,f=-5.3!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 180:sc= 0.109 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot -56:sc= -0.724 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -44:sc= 1.13 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.00218 USER MOD Single : A 36 ASN : amide:sc= 0.379 K(o=0.38,f=-6.3!) USER MOD Single : A 37 ASN : amide:sc= -3.41! C(o=-3.4!,f=-6.2!) USER MOD Single : A 43 GLN : amide:sc= -0.0451 K(o=-0.045,f=-0.75) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -2.05! K(o=-2!,f=-0.82) USER MOD Single : A 52 THR OG1 : rot -54:sc= 1.04 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0538) USER MOD Single : A 61 SER OG : rot 131:sc= 0.772 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -3:sc= 1 USER MOD Single : A 77 SER OG : rot -33:sc= 0.0626 USER MOD Single : A 80 SER OG : rot 180:sc= 0.00278 USER MOD Single : A 86 MET CE :methyl 151:sc= -1.03 (180deg=-2.16) USER MOD Single : A 89 SER OG : rot -47:sc= 0.698 USER MOD Single : A 94 SER OG : rot -81:sc= -0.691! USER MOD Single : A 96 SER OG : rot 64:sc= 0.732 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 1.24 K(o=1.2,f=-0.19) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.716 2.162 6.406 1.00 0.00 N ATOM 2 CA GLY A 1 -23.090 2.718 6.315 1.00 0.00 C ATOM 3 C GLY A 1 -24.083 1.907 7.121 1.00 0.00 C ATOM 4 O GLY A 1 -24.120 0.682 7.011 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.067 2.746 5.841 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.406 2.163 7.399 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.711 1.188 6.042 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.089 3.748 6.671 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.403 2.742 5.271 1.00 0.00 H new ATOM 10 N SER A 2 -24.898 2.594 7.914 1.00 0.00 N ATOM 11 CA SER A 2 -25.842 1.941 8.816 1.00 0.00 C ATOM 12 C SER A 2 -26.978 1.248 8.059 1.00 0.00 C ATOM 13 O SER A 2 -27.614 0.334 8.582 1.00 0.00 O ATOM 14 CB SER A 2 -26.411 2.969 9.794 1.00 0.00 C ATOM 15 OG SER A 2 -26.866 4.124 9.106 1.00 0.00 O ATOM 0 H SER A 2 -24.924 3.613 7.951 1.00 0.00 H new ATOM 0 HA SER A 2 -25.301 1.169 9.363 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.234 2.527 10.355 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.647 3.250 10.519 1.00 0.00 H new ATOM 0 HG SER A 2 -27.227 4.768 9.751 1.00 0.00 H new ATOM 21 N SER A 3 -27.230 1.683 6.829 1.00 0.00 N ATOM 22 CA SER A 3 -28.267 1.073 6.003 1.00 0.00 C ATOM 23 C SER A 3 -27.783 -0.251 5.416 1.00 0.00 C ATOM 24 O SER A 3 -28.546 -0.977 4.780 1.00 0.00 O ATOM 25 CB SER A 3 -28.689 2.035 4.890 1.00 0.00 C ATOM 26 OG SER A 3 -27.558 2.558 4.207 1.00 0.00 O ATOM 0 H SER A 3 -26.732 2.453 6.383 1.00 0.00 H new ATOM 0 HA SER A 3 -29.133 0.866 6.632 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.336 1.516 4.183 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.271 2.853 5.314 1.00 0.00 H new ATOM 0 HG SER A 3 -27.856 3.168 3.500 1.00 0.00 H new ATOM 32 N ILE A 4 -26.508 -0.554 5.655 1.00 0.00 N ATOM 33 CA ILE A 4 -25.877 -1.782 5.181 1.00 0.00 C ATOM 34 C ILE A 4 -26.038 -1.940 3.670 1.00 0.00 C ATOM 35 O ILE A 4 -26.872 -2.709 3.185 1.00 0.00 O ATOM 36 CB ILE A 4 -26.415 -3.040 5.903 1.00 0.00 C ATOM 37 CG1 ILE A 4 -26.378 -2.854 7.426 1.00 0.00 C ATOM 38 CG2 ILE A 4 -25.606 -4.268 5.507 1.00 0.00 C ATOM 39 CD1 ILE A 4 -24.986 -2.646 7.993 1.00 0.00 C ATOM 0 H ILE A 4 -25.881 0.050 6.186 1.00 0.00 H new ATOM 0 HA ILE A 4 -24.817 -1.692 5.418 1.00 0.00 H new ATOM 0 HB ILE A 4 -27.451 -3.187 5.598 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -26.998 -1.998 7.691 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -26.824 -3.729 7.899 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -25.998 -5.144 6.024 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -25.678 -4.420 4.430 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -24.562 -4.120 5.783 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -25.048 -2.523 9.074 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -24.366 -3.512 7.761 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -24.543 -1.754 7.551 1.00 0.00 H new ATOM 51 N SER A 5 -25.256 -1.166 2.939 1.00 0.00 N ATOM 52 CA SER A 5 -25.201 -1.267 1.489 1.00 0.00 C ATOM 53 C SER A 5 -23.769 -1.574 1.083 1.00 0.00 C ATOM 54 O SER A 5 -23.502 -2.507 0.327 1.00 0.00 O ATOM 55 CB SER A 5 -25.675 0.041 0.848 1.00 0.00 C ATOM 56 OG SER A 5 -26.945 0.415 1.354 1.00 0.00 O ATOM 0 H SER A 5 -24.642 -0.451 3.331 1.00 0.00 H new ATOM 0 HA SER A 5 -25.859 -2.065 1.145 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.952 0.832 1.046 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.730 -0.077 -0.234 1.00 0.00 H new ATOM 0 HG SER A 5 -27.230 1.253 0.934 1.00 0.00 H new ATOM 62 N HIS A 6 -22.854 -0.779 1.615 1.00 0.00 N ATOM 63 CA HIS A 6 -21.436 -1.043 1.496 1.00 0.00 C ATOM 64 C HIS A 6 -20.799 -0.881 2.866 1.00 0.00 C ATOM 65 O HIS A 6 -21.026 0.124 3.544 1.00 0.00 O ATOM 66 CB HIS A 6 -20.775 -0.093 0.491 1.00 0.00 C ATOM 67 CG HIS A 6 -19.327 -0.398 0.247 1.00 0.00 C ATOM 68 ND1 HIS A 6 -18.306 0.132 1.004 1.00 0.00 N ATOM 69 CD2 HIS A 6 -18.735 -1.197 -0.669 1.00 0.00 C ATOM 70 CE1 HIS A 6 -17.152 -0.327 0.563 1.00 0.00 C ATOM 71 NE2 HIS A 6 -17.384 -1.135 -0.450 1.00 0.00 N ATOM 0 H HIS A 6 -23.077 0.066 2.141 1.00 0.00 H new ATOM 0 HA HIS A 6 -21.291 -2.059 1.129 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -21.314 -0.144 -0.455 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -20.867 0.930 0.855 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -19.234 -1.776 -1.432 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -16.180 -0.082 0.965 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -16.673 -1.634 -0.985 1.00 0.00 H new ATOM 80 N SER A 7 -20.042 -1.875 3.282 1.00 0.00 N ATOM 81 CA SER A 7 -19.399 -1.840 4.579 1.00 0.00 C ATOM 82 C SER A 7 -17.887 -1.733 4.420 1.00 0.00 C ATOM 83 O SER A 7 -17.311 -2.320 3.501 1.00 0.00 O ATOM 84 CB SER A 7 -19.759 -3.103 5.361 1.00 0.00 C ATOM 85 OG SER A 7 -21.162 -3.318 5.361 1.00 0.00 O ATOM 0 H SER A 7 -19.857 -2.719 2.740 1.00 0.00 H new ATOM 0 HA SER A 7 -19.749 -0.965 5.127 1.00 0.00 H new ATOM 0 HB2 SER A 7 -19.256 -3.964 4.921 1.00 0.00 H new ATOM 0 HB3 SER A 7 -19.401 -3.015 6.387 1.00 0.00 H new ATOM 0 HG SER A 7 -21.368 -4.132 5.866 1.00 0.00 H new ATOM 91 N GLY A 8 -17.256 -0.960 5.292 1.00 0.00 N ATOM 92 CA GLY A 8 -15.811 -0.857 5.281 1.00 0.00 C ATOM 93 C GLY A 8 -15.328 0.554 5.026 1.00 0.00 C ATOM 94 O GLY A 8 -15.552 1.449 5.840 1.00 0.00 O ATOM 0 H GLY A 8 -17.720 -0.401 6.008 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -15.419 -1.204 6.237 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -15.410 -1.518 4.513 1.00 0.00 H new ATOM 98 N ASN A 9 -14.671 0.760 3.895 1.00 0.00 N ATOM 99 CA ASN A 9 -14.132 2.071 3.556 1.00 0.00 C ATOM 100 C ASN A 9 -14.793 2.609 2.286 1.00 0.00 C ATOM 101 O ASN A 9 -15.890 2.183 1.928 1.00 0.00 O ATOM 102 CB ASN A 9 -12.603 2.016 3.408 1.00 0.00 C ATOM 103 CG ASN A 9 -12.132 1.133 2.268 1.00 0.00 C ATOM 104 OD1 ASN A 9 -12.028 1.576 1.124 1.00 0.00 O ATOM 105 ND2 ASN A 9 -11.808 -0.110 2.578 1.00 0.00 N ATOM 0 H ASN A 9 -14.497 0.038 3.196 1.00 0.00 H new ATOM 0 HA ASN A 9 -14.359 2.757 4.372 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -12.225 3.027 3.253 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.169 1.653 4.340 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -11.457 -0.741 1.857 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.909 -0.439 3.538 1.00 0.00 H new ATOM 112 N LEU A 10 -14.134 3.548 1.616 1.00 0.00 N ATOM 113 CA LEU A 10 -14.727 4.236 0.473 1.00 0.00 C ATOM 114 C LEU A 10 -14.626 3.420 -0.815 1.00 0.00 C ATOM 115 O LEU A 10 -15.469 3.552 -1.702 1.00 0.00 O ATOM 116 CB LEU A 10 -14.034 5.581 0.260 1.00 0.00 C ATOM 117 CG LEU A 10 -14.076 6.542 1.451 1.00 0.00 C ATOM 118 CD1 LEU A 10 -13.309 7.814 1.126 1.00 0.00 C ATOM 119 CD2 LEU A 10 -15.516 6.867 1.826 1.00 0.00 C ATOM 0 H LEU A 10 -13.187 3.851 1.845 1.00 0.00 H new ATOM 0 HA LEU A 10 -15.783 4.379 0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -12.991 5.396 0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -14.492 6.074 -0.598 1.00 0.00 H new ATOM 0 HG LEU A 10 -13.602 6.058 2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -13.346 8.490 1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.271 7.566 0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -13.759 8.299 0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -15.525 7.551 2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -16.016 7.334 0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -16.038 5.949 2.095 1.00 0.00 H new ATOM 131 N TYR A 11 -13.605 2.579 -0.918 1.00 0.00 N ATOM 132 CA TYR A 11 -13.307 1.914 -2.180 1.00 0.00 C ATOM 133 C TYR A 11 -14.198 0.689 -2.389 1.00 0.00 C ATOM 134 O TYR A 11 -15.136 0.456 -1.630 1.00 0.00 O ATOM 135 CB TYR A 11 -11.825 1.527 -2.240 1.00 0.00 C ATOM 136 CG TYR A 11 -11.193 1.796 -3.590 1.00 0.00 C ATOM 137 CD1 TYR A 11 -10.767 3.074 -3.934 1.00 0.00 C ATOM 138 CD2 TYR A 11 -11.032 0.781 -4.522 1.00 0.00 C ATOM 139 CE1 TYR A 11 -10.199 3.329 -5.168 1.00 0.00 C ATOM 140 CE2 TYR A 11 -10.465 1.029 -5.757 1.00 0.00 C ATOM 141 CZ TYR A 11 -10.051 2.303 -6.075 1.00 0.00 C ATOM 142 OH TYR A 11 -9.488 2.554 -7.306 1.00 0.00 O ATOM 0 H TYR A 11 -12.975 2.343 -0.151 1.00 0.00 H new ATOM 0 HA TYR A 11 -13.517 2.614 -2.989 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -11.280 2.080 -1.474 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.723 0.468 -2.002 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.882 3.881 -3.225 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -11.355 -0.220 -4.278 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -9.873 4.327 -5.420 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -10.347 0.227 -6.470 1.00 0.00 H new ATOM 0 HH TYR A 11 -9.455 1.724 -7.826 1.00 0.00 H new ATOM 152 N THR A 12 -13.884 -0.091 -3.416 1.00 0.00 N ATOM 153 CA THR A 12 -14.721 -1.209 -3.836 1.00 0.00 C ATOM 154 C THR A 12 -14.682 -2.365 -2.829 1.00 0.00 C ATOM 155 O THR A 12 -15.389 -2.348 -1.820 1.00 0.00 O ATOM 156 CB THR A 12 -14.268 -1.717 -5.222 1.00 0.00 C ATOM 157 OG1 THR A 12 -14.080 -0.607 -6.106 1.00 0.00 O ATOM 158 CG2 THR A 12 -15.279 -2.683 -5.821 1.00 0.00 C ATOM 0 H THR A 12 -13.044 0.033 -3.981 1.00 0.00 H new ATOM 0 HA THR A 12 -15.747 -0.846 -3.890 1.00 0.00 H new ATOM 0 HB THR A 12 -13.327 -2.251 -5.093 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.791 -0.933 -6.984 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.927 -3.020 -6.796 1.00 0.00 H new ATOM 0 HG22 THR A 12 -15.396 -3.542 -5.161 1.00 0.00 H new ATOM 0 HG23 THR A 12 -16.239 -2.180 -5.936 1.00 0.00 H new ATOM 166 N ALA A 13 -13.835 -3.350 -3.111 1.00 0.00 N ATOM 167 CA ALA A 13 -13.711 -4.547 -2.297 1.00 0.00 C ATOM 168 C ALA A 13 -12.651 -5.445 -2.904 1.00 0.00 C ATOM 169 O ALA A 13 -12.745 -5.823 -4.073 1.00 0.00 O ATOM 170 CB ALA A 13 -15.039 -5.296 -2.190 1.00 0.00 C ATOM 0 H ALA A 13 -13.212 -3.337 -3.918 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.422 -4.254 -1.288 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.907 -6.185 -1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.787 -4.647 -1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -15.372 -5.591 -3.185 1.00 0.00 H new ATOM 176 N GLY A 14 -11.629 -5.761 -2.127 1.00 0.00 N ATOM 177 CA GLY A 14 -10.530 -6.537 -2.651 1.00 0.00 C ATOM 178 C GLY A 14 -9.767 -5.764 -3.704 1.00 0.00 C ATOM 179 O GLY A 14 -9.565 -6.236 -4.816 1.00 0.00 O ATOM 0 H GLY A 14 -11.541 -5.495 -1.146 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.857 -6.813 -1.839 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.909 -7.465 -3.080 1.00 0.00 H new ATOM 183 N GLN A 15 -9.384 -4.546 -3.370 1.00 0.00 N ATOM 184 CA GLN A 15 -8.608 -3.719 -4.281 1.00 0.00 C ATOM 185 C GLN A 15 -7.253 -3.397 -3.673 1.00 0.00 C ATOM 186 O GLN A 15 -7.090 -3.450 -2.451 1.00 0.00 O ATOM 187 CB GLN A 15 -9.362 -2.426 -4.614 1.00 0.00 C ATOM 188 CG GLN A 15 -10.673 -2.657 -5.348 1.00 0.00 C ATOM 189 CD GLN A 15 -10.468 -3.133 -6.771 1.00 0.00 C ATOM 190 OE1 GLN A 15 -10.454 -2.341 -7.709 1.00 0.00 O ATOM 191 NE2 GLN A 15 -10.260 -4.424 -6.931 1.00 0.00 N ATOM 0 H GLN A 15 -9.597 -4.105 -2.475 1.00 0.00 H new ATOM 0 HA GLN A 15 -8.455 -4.275 -5.206 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.563 -1.885 -3.690 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.721 -1.789 -5.224 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -11.265 -3.393 -4.804 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -11.248 -1.731 -5.358 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.280 -5.048 -6.124 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -10.079 -4.800 -7.862 1.00 0.00 H new ATOM 200 N CYS A 16 -6.296 -3.053 -4.524 1.00 0.00 N ATOM 201 CA CYS A 16 -4.939 -2.745 -4.084 1.00 0.00 C ATOM 202 C CYS A 16 -4.930 -1.587 -3.093 1.00 0.00 C ATOM 203 O CYS A 16 -4.228 -1.626 -2.087 1.00 0.00 O ATOM 204 CB CYS A 16 -4.067 -2.417 -5.297 1.00 0.00 C ATOM 205 SG CYS A 16 -4.850 -1.291 -6.477 1.00 0.00 S ATOM 0 H CYS A 16 -6.435 -2.979 -5.532 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.534 -3.619 -3.575 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.133 -1.974 -4.952 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.810 -3.344 -5.809 1.00 0.00 H new ATOM 0 HG CYS A 16 -4.039 -1.069 -7.468 1.00 0.00 H new ATOM 211 N THR A 17 -5.740 -0.574 -3.359 1.00 0.00 N ATOM 212 CA THR A 17 -5.777 0.604 -2.502 1.00 0.00 C ATOM 213 C THR A 17 -6.899 0.484 -1.473 1.00 0.00 C ATOM 214 O THR A 17 -7.086 1.356 -0.627 1.00 0.00 O ATOM 215 CB THR A 17 -5.956 1.887 -3.336 1.00 0.00 C ATOM 216 OG1 THR A 17 -7.156 1.797 -4.112 1.00 0.00 O ATOM 217 CG2 THR A 17 -4.769 2.096 -4.264 1.00 0.00 C ATOM 0 H THR A 17 -6.377 -0.542 -4.155 1.00 0.00 H new ATOM 0 HA THR A 17 -4.824 0.667 -1.976 1.00 0.00 H new ATOM 0 HB THR A 17 -6.021 2.734 -2.653 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.267 2.616 -4.639 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.916 3.007 -4.843 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.857 2.185 -3.674 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.682 1.246 -4.941 1.00 0.00 H new ATOM 225 N TRP A 18 -7.633 -0.619 -1.555 1.00 0.00 N ATOM 226 CA TRP A 18 -8.737 -0.888 -0.650 1.00 0.00 C ATOM 227 C TRP A 18 -8.233 -1.600 0.600 1.00 0.00 C ATOM 228 O TRP A 18 -8.503 -1.169 1.719 1.00 0.00 O ATOM 229 CB TRP A 18 -9.784 -1.741 -1.371 1.00 0.00 C ATOM 230 CG TRP A 18 -10.934 -2.174 -0.519 1.00 0.00 C ATOM 231 CD1 TRP A 18 -12.111 -1.512 -0.342 1.00 0.00 C ATOM 232 CD2 TRP A 18 -11.025 -3.374 0.259 1.00 0.00 C ATOM 233 NE1 TRP A 18 -12.926 -2.227 0.495 1.00 0.00 N ATOM 234 CE2 TRP A 18 -12.286 -3.370 0.877 1.00 0.00 C ATOM 235 CE3 TRP A 18 -10.170 -4.452 0.490 1.00 0.00 C ATOM 236 CZ2 TRP A 18 -12.710 -4.394 1.716 1.00 0.00 C ATOM 237 CZ3 TRP A 18 -10.592 -5.469 1.324 1.00 0.00 C ATOM 238 CH2 TRP A 18 -11.853 -5.435 1.926 1.00 0.00 C ATOM 0 H TRP A 18 -7.478 -1.349 -2.250 1.00 0.00 H new ATOM 0 HA TRP A 18 -9.193 0.053 -0.343 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -10.171 -1.176 -2.219 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.295 -2.628 -1.775 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -12.364 -0.564 -0.794 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -13.863 -1.949 0.787 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.196 -4.491 0.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -13.683 -4.367 2.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -9.936 -6.305 1.514 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.155 -6.248 2.570 1.00 0.00 H new ATOM 249 N TYR A 19 -7.485 -2.685 0.397 1.00 0.00 N ATOM 250 CA TYR A 19 -6.958 -3.471 1.510 1.00 0.00 C ATOM 251 C TYR A 19 -6.055 -2.611 2.384 1.00 0.00 C ATOM 252 O TYR A 19 -6.115 -2.671 3.612 1.00 0.00 O ATOM 253 CB TYR A 19 -6.187 -4.685 0.981 1.00 0.00 C ATOM 254 CG TYR A 19 -5.542 -5.535 2.060 1.00 0.00 C ATOM 255 CD1 TYR A 19 -6.267 -6.511 2.735 1.00 0.00 C ATOM 256 CD2 TYR A 19 -4.205 -5.363 2.399 1.00 0.00 C ATOM 257 CE1 TYR A 19 -5.678 -7.288 3.717 1.00 0.00 C ATOM 258 CE2 TYR A 19 -3.611 -6.135 3.379 1.00 0.00 C ATOM 259 CZ TYR A 19 -4.350 -7.095 4.035 1.00 0.00 C ATOM 260 OH TYR A 19 -3.756 -7.867 5.011 1.00 0.00 O ATOM 0 H TYR A 19 -7.232 -3.038 -0.526 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.793 -3.824 2.115 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.868 -5.309 0.402 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.413 -4.339 0.297 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.307 -6.665 2.489 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.620 -4.613 1.887 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.255 -8.042 4.232 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.571 -5.986 3.630 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.185 -8.748 5.037 1.00 0.00 H new ATOM 270 N VAL A 20 -5.222 -1.814 1.732 1.00 0.00 N ATOM 271 CA VAL A 20 -4.336 -0.891 2.427 1.00 0.00 C ATOM 272 C VAL A 20 -5.124 0.048 3.338 1.00 0.00 C ATOM 273 O VAL A 20 -4.851 0.140 4.536 1.00 0.00 O ATOM 274 CB VAL A 20 -3.512 -0.050 1.431 1.00 0.00 C ATOM 275 CG1 VAL A 20 -2.672 0.977 2.166 1.00 0.00 C ATOM 276 CG2 VAL A 20 -2.635 -0.946 0.572 1.00 0.00 C ATOM 0 H VAL A 20 -5.141 -1.788 0.716 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.659 -1.495 3.031 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.203 0.480 0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.098 1.560 1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.324 1.641 2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.990 0.469 2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.061 -0.334 -0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.952 -1.506 1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.262 -1.641 0.013 1.00 0.00 H new ATOM 286 N TYR A 21 -6.121 0.720 2.770 1.00 0.00 N ATOM 287 CA TYR A 21 -6.881 1.725 3.501 1.00 0.00 C ATOM 288 C TYR A 21 -7.673 1.090 4.639 1.00 0.00 C ATOM 289 O TYR A 21 -7.854 1.693 5.700 1.00 0.00 O ATOM 290 CB TYR A 21 -7.825 2.475 2.560 1.00 0.00 C ATOM 291 CG TYR A 21 -8.385 3.739 3.163 1.00 0.00 C ATOM 292 CD1 TYR A 21 -7.564 4.828 3.418 1.00 0.00 C ATOM 293 CD2 TYR A 21 -9.728 3.838 3.484 1.00 0.00 C ATOM 294 CE1 TYR A 21 -8.067 5.982 3.980 1.00 0.00 C ATOM 295 CE2 TYR A 21 -10.243 4.988 4.042 1.00 0.00 C ATOM 296 CZ TYR A 21 -9.411 6.058 4.291 1.00 0.00 C ATOM 297 OH TYR A 21 -9.925 7.205 4.854 1.00 0.00 O ATOM 0 H TYR A 21 -6.421 0.585 1.804 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.173 2.435 3.928 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.291 2.723 1.643 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.648 1.817 2.282 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.514 4.771 3.172 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.383 3.000 3.294 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.415 6.821 4.176 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.294 5.050 4.283 1.00 0.00 H new ATOM 0 HH TYR A 21 -9.432 7.416 5.674 1.00 0.00 H new ATOM 307 N ASP A 22 -8.135 -0.128 4.415 1.00 0.00 N ATOM 308 CA ASP A 22 -8.898 -0.853 5.420 1.00 0.00 C ATOM 309 C ASP A 22 -7.994 -1.266 6.579 1.00 0.00 C ATOM 310 O ASP A 22 -8.366 -1.130 7.747 1.00 0.00 O ATOM 311 CB ASP A 22 -9.560 -2.081 4.792 1.00 0.00 C ATOM 312 CG ASP A 22 -10.489 -2.803 5.745 1.00 0.00 C ATOM 313 OD1 ASP A 22 -11.677 -2.413 5.835 1.00 0.00 O ATOM 314 OD2 ASP A 22 -10.048 -3.773 6.392 1.00 0.00 O ATOM 0 H ASP A 22 -7.995 -0.638 3.543 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.677 -0.198 5.810 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.121 -1.773 3.909 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.787 -2.771 4.454 1.00 0.00 H new ATOM 319 N LYS A 23 -6.794 -1.737 6.248 1.00 0.00 N ATOM 320 CA LYS A 23 -5.822 -2.162 7.253 1.00 0.00 C ATOM 321 C LYS A 23 -5.311 -0.988 8.089 1.00 0.00 C ATOM 322 O LYS A 23 -5.017 -1.150 9.272 1.00 0.00 O ATOM 323 CB LYS A 23 -4.644 -2.884 6.595 1.00 0.00 C ATOM 324 CG LYS A 23 -4.894 -4.363 6.347 1.00 0.00 C ATOM 325 CD LYS A 23 -4.946 -5.152 7.652 1.00 0.00 C ATOM 326 CE LYS A 23 -3.629 -5.053 8.416 1.00 0.00 C ATOM 327 NZ LYS A 23 -3.614 -5.904 9.633 1.00 0.00 N ATOM 0 H LYS A 23 -6.470 -1.834 5.286 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.337 -2.851 7.923 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.417 -2.399 5.646 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.763 -2.775 7.228 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.833 -4.488 5.808 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.105 -4.764 5.710 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.758 -4.776 8.274 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.166 -6.198 7.438 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.809 -5.347 7.761 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.454 -4.015 8.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.699 -5.802 10.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.379 -5.608 10.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.754 -6.899 9.363 1.00 0.00 H new ATOM 341 N VAL A 24 -5.206 0.190 7.483 1.00 0.00 N ATOM 342 CA VAL A 24 -4.726 1.363 8.210 1.00 0.00 C ATOM 343 C VAL A 24 -5.863 2.040 8.976 1.00 0.00 C ATOM 344 O VAL A 24 -5.648 3.020 9.686 1.00 0.00 O ATOM 345 CB VAL A 24 -4.036 2.394 7.284 1.00 0.00 C ATOM 346 CG1 VAL A 24 -2.843 1.768 6.579 1.00 0.00 C ATOM 347 CG2 VAL A 24 -5.014 2.973 6.273 1.00 0.00 C ATOM 0 H VAL A 24 -5.442 0.359 6.505 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.981 0.999 8.917 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.678 3.214 7.907 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.372 2.509 5.933 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.122 1.423 7.320 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.178 0.923 5.977 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.498 3.693 5.638 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.418 2.170 5.656 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.829 3.471 6.799 1.00 0.00 H new ATOM 357 N GLY A 25 -7.075 1.519 8.822 1.00 0.00 N ATOM 358 CA GLY A 25 -8.213 2.044 9.559 1.00 0.00 C ATOM 359 C GLY A 25 -8.715 3.361 9.001 1.00 0.00 C ATOM 360 O GLY A 25 -9.650 3.959 9.537 1.00 0.00 O ATOM 0 H GLY A 25 -7.292 0.741 8.199 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.022 1.314 9.539 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.933 2.180 10.603 1.00 0.00 H new ATOM 364 N GLY A 26 -8.092 3.817 7.928 1.00 0.00 N ATOM 365 CA GLY A 26 -8.498 5.058 7.310 1.00 0.00 C ATOM 366 C GLY A 26 -7.774 6.269 7.866 1.00 0.00 C ATOM 367 O GLY A 26 -8.041 7.396 7.445 1.00 0.00 O ATOM 0 H GLY A 26 -7.309 3.347 7.473 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.319 4.997 6.237 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.571 5.190 7.447 1.00 0.00 H new ATOM 371 N GLU A 27 -6.849 6.052 8.799 1.00 0.00 N ATOM 372 CA GLU A 27 -6.125 7.161 9.405 1.00 0.00 C ATOM 373 C GLU A 27 -5.177 7.807 8.393 1.00 0.00 C ATOM 374 O GLU A 27 -4.803 8.971 8.531 1.00 0.00 O ATOM 375 CB GLU A 27 -5.366 6.695 10.654 1.00 0.00 C ATOM 376 CG GLU A 27 -4.179 5.788 10.375 1.00 0.00 C ATOM 377 CD GLU A 27 -3.515 5.296 11.645 1.00 0.00 C ATOM 378 OE1 GLU A 27 -2.806 6.090 12.299 1.00 0.00 O ATOM 379 OE2 GLU A 27 -3.706 4.114 12.002 1.00 0.00 O ATOM 0 H GLU A 27 -6.587 5.129 9.147 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.849 7.915 9.714 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.015 7.572 11.198 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.061 6.170 11.310 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.510 4.932 9.787 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.448 6.326 9.772 1.00 0.00 H new ATOM 386 N ILE A 28 -4.814 7.051 7.362 1.00 0.00 N ATOM 387 CA ILE A 28 -3.972 7.565 6.290 1.00 0.00 C ATOM 388 C ILE A 28 -4.601 7.269 4.931 1.00 0.00 C ATOM 389 O ILE A 28 -5.113 6.173 4.701 1.00 0.00 O ATOM 390 CB ILE A 28 -2.511 7.002 6.359 1.00 0.00 C ATOM 391 CG1 ILE A 28 -2.019 6.497 4.984 1.00 0.00 C ATOM 392 CG2 ILE A 28 -2.399 5.897 7.405 1.00 0.00 C ATOM 393 CD1 ILE A 28 -2.247 5.015 4.743 1.00 0.00 C ATOM 0 H ILE A 28 -5.092 6.076 7.247 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.903 8.645 6.422 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.865 7.829 6.656 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.524 7.062 4.201 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.954 6.708 4.893 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.375 5.524 7.432 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.667 6.294 8.384 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.075 5.082 7.147 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.873 4.745 3.755 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.719 4.438 5.502 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.314 4.797 4.799 1.00 0.00 H new ATOM 405 N GLY A 29 -4.600 8.261 4.051 1.00 0.00 N ATOM 406 CA GLY A 29 -4.983 8.025 2.676 1.00 0.00 C ATOM 407 C GLY A 29 -6.330 8.604 2.299 1.00 0.00 C ATOM 408 O GLY A 29 -6.661 9.719 2.691 1.00 0.00 O ATOM 0 H GLY A 29 -4.341 9.224 4.266 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.222 8.448 2.021 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.998 6.950 2.494 1.00 0.00 H new ATOM 412 N SER A 30 -7.079 7.822 1.512 1.00 0.00 N ATOM 413 CA SER A 30 -8.400 8.180 0.964 1.00 0.00 C ATOM 414 C SER A 30 -8.287 9.202 -0.168 1.00 0.00 C ATOM 415 O SER A 30 -8.976 9.090 -1.177 1.00 0.00 O ATOM 416 CB SER A 30 -9.387 8.670 2.042 1.00 0.00 C ATOM 417 OG SER A 30 -9.165 10.019 2.413 1.00 0.00 O ATOM 0 H SER A 30 -6.775 6.891 1.228 1.00 0.00 H new ATOM 0 HA SER A 30 -8.809 7.257 0.553 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.406 8.562 1.671 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.300 8.036 2.924 1.00 0.00 H new ATOM 0 HG SER A 30 -8.204 10.174 2.522 1.00 0.00 H new ATOM 423 N THR A 31 -7.406 10.178 -0.014 1.00 0.00 N ATOM 424 CA THR A 31 -7.225 11.207 -1.024 1.00 0.00 C ATOM 425 C THR A 31 -5.996 10.925 -1.883 1.00 0.00 C ATOM 426 O THR A 31 -5.566 11.771 -2.670 1.00 0.00 O ATOM 427 CB THR A 31 -7.078 12.589 -0.364 1.00 0.00 C ATOM 428 OG1 THR A 31 -6.071 12.537 0.653 1.00 0.00 O ATOM 429 CG2 THR A 31 -8.393 13.046 0.246 1.00 0.00 C ATOM 0 H THR A 31 -6.804 10.279 0.803 1.00 0.00 H new ATOM 0 HA THR A 31 -8.109 11.201 -1.662 1.00 0.00 H new ATOM 0 HB THR A 31 -6.787 13.304 -1.134 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.980 13.420 1.069 1.00 0.00 H new ATOM 0 HG21 THR A 31 -8.260 14.025 0.705 1.00 0.00 H new ATOM 0 HG22 THR A 31 -9.152 13.111 -0.533 1.00 0.00 H new ATOM 0 HG23 THR A 31 -8.711 12.330 1.004 1.00 0.00 H new ATOM 437 N TRP A 32 -5.447 9.721 -1.748 1.00 0.00 N ATOM 438 CA TRP A 32 -4.206 9.372 -2.429 1.00 0.00 C ATOM 439 C TRP A 32 -4.456 8.896 -3.863 1.00 0.00 C ATOM 440 O TRP A 32 -3.517 8.549 -4.573 1.00 0.00 O ATOM 441 CB TRP A 32 -3.435 8.304 -1.641 1.00 0.00 C ATOM 442 CG TRP A 32 -4.157 6.997 -1.521 1.00 0.00 C ATOM 443 CD1 TRP A 32 -4.996 6.445 -2.435 1.00 0.00 C ATOM 444 CD2 TRP A 32 -4.083 6.070 -0.440 1.00 0.00 C ATOM 445 NE1 TRP A 32 -5.460 5.249 -1.995 1.00 0.00 N ATOM 446 CE2 TRP A 32 -4.919 4.986 -0.765 1.00 0.00 C ATOM 447 CE3 TRP A 32 -3.396 6.051 0.773 1.00 0.00 C ATOM 448 CZ2 TRP A 32 -5.085 3.896 0.079 1.00 0.00 C ATOM 449 CZ3 TRP A 32 -3.562 4.965 1.611 1.00 0.00 C ATOM 450 CH2 TRP A 32 -4.402 3.901 1.261 1.00 0.00 C ATOM 0 H TRP A 32 -5.841 8.974 -1.176 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.602 10.278 -2.481 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.473 8.133 -2.125 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.225 8.685 -0.641 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.257 6.896 -3.381 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -6.108 4.643 -2.499 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.747 6.868 1.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.731 3.074 -0.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -3.034 4.936 2.553 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -4.512 3.068 1.939 1.00 0.00 H new ATOM 461 N GLY A 33 -5.718 8.858 -4.274 1.00 0.00 N ATOM 462 CA GLY A 33 -6.047 8.395 -5.608 1.00 0.00 C ATOM 463 C GLY A 33 -5.854 6.902 -5.770 1.00 0.00 C ATOM 464 O GLY A 33 -6.522 6.101 -5.109 1.00 0.00 O ATOM 0 H GLY A 33 -6.518 9.139 -3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.083 8.650 -5.832 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.425 8.919 -6.334 1.00 0.00 H new ATOM 468 N ASN A 34 -4.940 6.527 -6.650 1.00 0.00 N ATOM 469 CA ASN A 34 -4.607 5.131 -6.867 1.00 0.00 C ATOM 470 C ASN A 34 -3.112 4.919 -6.674 1.00 0.00 C ATOM 471 O ASN A 34 -2.366 5.877 -6.478 1.00 0.00 O ATOM 472 CB ASN A 34 -5.024 4.664 -8.263 1.00 0.00 C ATOM 473 CG ASN A 34 -6.522 4.744 -8.506 1.00 0.00 C ATOM 474 OD1 ASN A 34 -6.967 5.005 -9.625 1.00 0.00 O ATOM 475 ND2 ASN A 34 -7.309 4.512 -7.469 1.00 0.00 N ATOM 0 H ASN A 34 -4.411 7.178 -7.230 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.158 4.538 -6.137 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.510 5.270 -9.009 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.695 3.635 -8.407 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -8.322 4.546 -7.580 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.903 4.299 -6.558 1.00 0.00 H new ATOM 482 N ALA A 35 -2.678 3.669 -6.779 1.00 0.00 N ATOM 483 CA ALA A 35 -1.324 3.267 -6.399 1.00 0.00 C ATOM 484 C ALA A 35 -0.229 4.000 -7.179 1.00 0.00 C ATOM 485 O ALA A 35 0.891 4.161 -6.686 1.00 0.00 O ATOM 486 CB ALA A 35 -1.172 1.766 -6.573 1.00 0.00 C ATOM 0 H ALA A 35 -3.253 2.903 -7.130 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.193 3.545 -5.353 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.163 1.467 -6.290 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.894 1.251 -5.939 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.350 1.501 -7.615 1.00 0.00 H new ATOM 492 N ASN A 36 -0.544 4.436 -8.386 1.00 0.00 N ATOM 493 CA ASN A 36 0.446 5.090 -9.241 1.00 0.00 C ATOM 494 C ASN A 36 0.658 6.544 -8.848 1.00 0.00 C ATOM 495 O ASN A 36 1.788 7.033 -8.835 1.00 0.00 O ATOM 496 CB ASN A 36 0.052 4.994 -10.723 1.00 0.00 C ATOM 497 CG ASN A 36 -1.354 5.490 -11.023 1.00 0.00 C ATOM 498 OD1 ASN A 36 -2.263 5.383 -10.199 1.00 0.00 O ATOM 499 ND2 ASN A 36 -1.539 6.035 -12.212 1.00 0.00 N ATOM 0 H ASN A 36 -1.472 4.352 -8.800 1.00 0.00 H new ATOM 0 HA ASN A 36 1.388 4.561 -9.097 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.763 5.570 -11.315 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.136 3.956 -11.044 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.460 6.385 -12.475 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.761 6.106 -12.867 1.00 0.00 H new ATOM 506 N ASN A 37 -0.419 7.231 -8.509 1.00 0.00 N ATOM 507 CA ASN A 37 -0.343 8.635 -8.171 1.00 0.00 C ATOM 508 C ASN A 37 -0.227 8.828 -6.666 1.00 0.00 C ATOM 509 O ASN A 37 -0.345 9.949 -6.167 1.00 0.00 O ATOM 510 CB ASN A 37 -1.574 9.359 -8.709 1.00 0.00 C ATOM 511 CG ASN A 37 -2.862 8.979 -8.016 1.00 0.00 C ATOM 512 OD1 ASN A 37 -3.519 8.012 -8.388 1.00 0.00 O ATOM 513 ND2 ASN A 37 -3.248 9.761 -7.024 1.00 0.00 N ATOM 0 H ASN A 37 -1.358 6.835 -8.461 1.00 0.00 H new ATOM 0 HA ASN A 37 0.551 9.057 -8.631 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.423 10.434 -8.609 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.670 9.148 -9.774 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -4.123 9.571 -6.535 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.671 10.555 -6.747 1.00 0.00 H new ATOM 520 N TRP A 38 0.029 7.730 -5.962 1.00 0.00 N ATOM 521 CA TRP A 38 0.129 7.734 -4.506 1.00 0.00 C ATOM 522 C TRP A 38 1.054 8.814 -3.991 1.00 0.00 C ATOM 523 O TRP A 38 0.610 9.720 -3.309 1.00 0.00 O ATOM 524 CB TRP A 38 0.639 6.400 -3.997 1.00 0.00 C ATOM 525 CG TRP A 38 -0.393 5.590 -3.317 1.00 0.00 C ATOM 526 CD1 TRP A 38 -1.665 5.345 -3.728 1.00 0.00 C ATOM 527 CD2 TRP A 38 -0.222 4.915 -2.081 1.00 0.00 C ATOM 528 NE1 TRP A 38 -2.297 4.536 -2.815 1.00 0.00 N ATOM 529 CE2 TRP A 38 -1.429 4.272 -1.781 1.00 0.00 C ATOM 530 CE3 TRP A 38 0.850 4.795 -1.199 1.00 0.00 C ATOM 531 CZ2 TRP A 38 -1.590 3.520 -0.617 1.00 0.00 C ATOM 532 CZ3 TRP A 38 0.686 4.053 -0.060 1.00 0.00 C ATOM 533 CH2 TRP A 38 -0.525 3.432 0.224 1.00 0.00 C ATOM 0 H TRP A 38 0.173 6.813 -6.384 1.00 0.00 H new ATOM 0 HA TRP A 38 -0.879 7.927 -4.138 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.041 5.831 -4.835 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.464 6.576 -3.306 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -2.111 5.728 -4.634 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.253 4.188 -2.891 1.00 0.00 H new ATOM 0 HE3 TRP A 38 1.793 5.278 -1.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.524 3.027 -0.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.511 3.948 0.629 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.623 2.864 1.137 1.00 0.00 H new ATOM 544 N ALA A 39 2.339 8.706 -4.320 1.00 0.00 N ATOM 545 CA ALA A 39 3.350 9.617 -3.790 1.00 0.00 C ATOM 546 C ALA A 39 2.925 11.077 -3.952 1.00 0.00 C ATOM 547 O ALA A 39 3.060 11.874 -3.030 1.00 0.00 O ATOM 548 CB ALA A 39 4.694 9.370 -4.467 1.00 0.00 C ATOM 0 H ALA A 39 2.705 7.995 -4.953 1.00 0.00 H new ATOM 0 HA ALA A 39 3.454 9.419 -2.723 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.437 10.056 -4.062 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.010 8.343 -4.284 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.596 9.534 -5.540 1.00 0.00 H new ATOM 554 N ALA A 40 2.371 11.401 -5.114 1.00 0.00 N ATOM 555 CA ALA A 40 1.936 12.763 -5.409 1.00 0.00 C ATOM 556 C ALA A 40 0.723 13.159 -4.563 1.00 0.00 C ATOM 557 O ALA A 40 0.683 14.250 -3.991 1.00 0.00 O ATOM 558 CB ALA A 40 1.617 12.901 -6.891 1.00 0.00 C ATOM 0 H ALA A 40 2.211 10.737 -5.871 1.00 0.00 H new ATOM 0 HA ALA A 40 2.752 13.440 -5.155 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.294 13.921 -7.100 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.508 12.675 -7.477 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.821 12.206 -7.158 1.00 0.00 H new ATOM 564 N ALA A 41 -0.261 12.268 -4.481 1.00 0.00 N ATOM 565 CA ALA A 41 -1.482 12.541 -3.727 1.00 0.00 C ATOM 566 C ALA A 41 -1.217 12.504 -2.225 1.00 0.00 C ATOM 567 O ALA A 41 -1.749 13.315 -1.466 1.00 0.00 O ATOM 568 CB ALA A 41 -2.566 11.545 -4.102 1.00 0.00 C ATOM 0 H ALA A 41 -0.237 11.351 -4.927 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.824 13.544 -3.983 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.470 11.760 -3.533 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.780 11.625 -5.168 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.226 10.535 -3.875 1.00 0.00 H new ATOM 574 N ALA A 42 -0.388 11.557 -1.812 1.00 0.00 N ATOM 575 CA ALA A 42 0.029 11.427 -0.426 1.00 0.00 C ATOM 576 C ALA A 42 0.693 12.714 0.051 1.00 0.00 C ATOM 577 O ALA A 42 0.355 13.244 1.109 1.00 0.00 O ATOM 578 CB ALA A 42 0.988 10.254 -0.290 1.00 0.00 C ATOM 0 H ALA A 42 0.015 10.855 -2.432 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.848 11.244 0.195 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.300 10.158 0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.489 9.338 -0.606 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.863 10.425 -0.917 1.00 0.00 H new ATOM 584 N GLN A 43 1.628 13.223 -0.748 1.00 0.00 N ATOM 585 CA GLN A 43 2.321 14.466 -0.423 1.00 0.00 C ATOM 586 C GLN A 43 1.356 15.646 -0.438 1.00 0.00 C ATOM 587 O GLN A 43 1.563 16.634 0.267 1.00 0.00 O ATOM 588 CB GLN A 43 3.472 14.709 -1.399 1.00 0.00 C ATOM 589 CG GLN A 43 4.619 13.726 -1.231 1.00 0.00 C ATOM 590 CD GLN A 43 5.697 13.897 -2.283 1.00 0.00 C ATOM 591 OE1 GLN A 43 5.421 14.285 -3.417 1.00 0.00 O ATOM 592 NE2 GLN A 43 6.934 13.622 -1.912 1.00 0.00 N ATOM 0 H GLN A 43 1.923 12.793 -1.625 1.00 0.00 H new ATOM 0 HA GLN A 43 2.731 14.372 0.583 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.094 14.645 -2.419 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.848 15.723 -1.262 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.059 13.854 -0.242 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.230 12.709 -1.278 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.122 13.302 -0.962 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.701 13.729 -2.576 1.00 0.00 H new ATOM 601 N GLY A 44 0.302 15.534 -1.237 1.00 0.00 N ATOM 602 CA GLY A 44 -0.737 16.545 -1.248 1.00 0.00 C ATOM 603 C GLY A 44 -1.492 16.585 0.065 1.00 0.00 C ATOM 604 O GLY A 44 -1.893 17.650 0.532 1.00 0.00 O ATOM 0 H GLY A 44 0.148 14.757 -1.880 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.293 17.521 -1.443 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.433 16.343 -2.062 1.00 0.00 H new ATOM 608 N ALA A 45 -1.681 15.416 0.665 1.00 0.00 N ATOM 609 CA ALA A 45 -2.317 15.320 1.972 1.00 0.00 C ATOM 610 C ALA A 45 -1.345 15.741 3.067 1.00 0.00 C ATOM 611 O ALA A 45 -1.753 16.206 4.131 1.00 0.00 O ATOM 612 CB ALA A 45 -2.817 13.903 2.219 1.00 0.00 C ATOM 0 H ALA A 45 -1.402 14.520 0.266 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.173 15.995 1.991 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.289 13.850 3.200 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.543 13.634 1.452 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.977 13.209 2.182 1.00 0.00 H new ATOM 618 N GLY A 46 -0.056 15.582 2.793 1.00 0.00 N ATOM 619 CA GLY A 46 0.962 15.999 3.735 1.00 0.00 C ATOM 620 C GLY A 46 1.926 14.888 4.100 1.00 0.00 C ATOM 621 O GLY A 46 2.781 15.067 4.969 1.00 0.00 O ATOM 0 H GLY A 46 0.302 15.170 1.931 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.522 16.832 3.310 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.481 16.367 4.641 1.00 0.00 H new ATOM 625 N PHE A 47 1.808 13.750 3.428 1.00 0.00 N ATOM 626 CA PHE A 47 2.654 12.597 3.722 1.00 0.00 C ATOM 627 C PHE A 47 4.088 12.853 3.262 1.00 0.00 C ATOM 628 O PHE A 47 4.327 13.639 2.344 1.00 0.00 O ATOM 629 CB PHE A 47 2.142 11.329 3.024 1.00 0.00 C ATOM 630 CG PHE A 47 0.723 10.911 3.350 1.00 0.00 C ATOM 631 CD1 PHE A 47 -0.109 11.685 4.145 1.00 0.00 C ATOM 632 CD2 PHE A 47 0.217 9.733 2.821 1.00 0.00 C ATOM 633 CE1 PHE A 47 -1.410 11.293 4.398 1.00 0.00 C ATOM 634 CE2 PHE A 47 -1.078 9.331 3.073 1.00 0.00 C ATOM 635 CZ PHE A 47 -1.894 10.115 3.861 1.00 0.00 C ATOM 0 H PHE A 47 1.136 13.599 2.676 1.00 0.00 H new ATOM 0 HA PHE A 47 2.625 12.449 4.801 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.216 11.478 1.947 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.809 10.505 3.279 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.264 12.605 4.571 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.850 9.118 2.199 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.049 11.907 5.015 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.451 8.407 2.656 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.911 9.809 4.058 1.00 0.00 H new ATOM 645 N THR A 48 5.031 12.182 3.901 1.00 0.00 N ATOM 646 CA THR A 48 6.430 12.247 3.504 1.00 0.00 C ATOM 647 C THR A 48 6.860 10.892 2.946 1.00 0.00 C ATOM 648 O THR A 48 6.838 9.893 3.653 1.00 0.00 O ATOM 649 CB THR A 48 7.330 12.625 4.695 1.00 0.00 C ATOM 650 OG1 THR A 48 6.798 13.778 5.363 1.00 0.00 O ATOM 651 CG2 THR A 48 8.750 12.913 4.232 1.00 0.00 C ATOM 0 H THR A 48 4.852 11.580 4.705 1.00 0.00 H new ATOM 0 HA THR A 48 6.537 13.017 2.740 1.00 0.00 H new ATOM 0 HB THR A 48 7.354 11.782 5.386 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.374 14.012 6.120 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.366 13.178 5.091 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.162 12.027 3.749 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.741 13.741 3.523 1.00 0.00 H new ATOM 659 N VAL A 49 7.240 10.845 1.688 1.00 0.00 N ATOM 660 CA VAL A 49 7.446 9.565 1.026 1.00 0.00 C ATOM 661 C VAL A 49 8.899 9.090 1.092 1.00 0.00 C ATOM 662 O VAL A 49 9.763 9.765 1.647 1.00 0.00 O ATOM 663 CB VAL A 49 7.004 9.618 -0.451 1.00 0.00 C ATOM 664 CG1 VAL A 49 5.614 10.218 -0.574 1.00 0.00 C ATOM 665 CG2 VAL A 49 8.001 10.399 -1.291 1.00 0.00 C ATOM 0 H VAL A 49 7.412 11.664 1.105 1.00 0.00 H new ATOM 0 HA VAL A 49 6.828 8.851 1.570 1.00 0.00 H new ATOM 0 HB VAL A 49 6.972 8.596 -0.829 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.321 10.246 -1.624 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.904 9.608 -0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.618 11.231 -0.171 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.665 10.421 -2.328 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.076 11.418 -0.912 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.978 9.919 -1.236 1.00 0.00 H new ATOM 675 N ASN A 50 9.102 7.871 0.577 1.00 0.00 N ATOM 676 CA ASN A 50 10.424 7.308 0.239 1.00 0.00 C ATOM 677 C ASN A 50 11.011 6.438 1.334 1.00 0.00 C ATOM 678 O ASN A 50 11.992 5.741 1.087 1.00 0.00 O ATOM 679 CB ASN A 50 11.453 8.390 -0.150 1.00 0.00 C ATOM 680 CG ASN A 50 12.643 8.491 0.814 1.00 0.00 C ATOM 681 OD1 ASN A 50 13.796 8.485 0.383 1.00 0.00 O ATOM 682 ND2 ASN A 50 12.381 8.635 2.113 1.00 0.00 N ATOM 0 H ASN A 50 8.335 7.229 0.377 1.00 0.00 H new ATOM 0 HA ASN A 50 10.228 6.677 -0.628 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.827 8.179 -1.152 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.951 9.356 -0.194 1.00 0.00 H new ATOM 0 HD21 ASN A 50 13.146 8.744 2.779 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.415 8.636 2.441 1.00 0.00 H new ATOM 689 N HIS A 51 10.417 6.477 2.528 1.00 0.00 N ATOM 690 CA HIS A 51 11.072 5.951 3.736 1.00 0.00 C ATOM 691 C HIS A 51 11.541 4.505 3.604 1.00 0.00 C ATOM 692 O HIS A 51 12.283 4.027 4.463 1.00 0.00 O ATOM 693 CB HIS A 51 10.156 6.082 4.962 1.00 0.00 C ATOM 694 CG HIS A 51 10.764 5.563 6.242 1.00 0.00 C ATOM 695 ND1 HIS A 51 10.486 4.312 6.752 1.00 0.00 N ATOM 696 CD2 HIS A 51 11.648 6.124 7.102 1.00 0.00 C ATOM 697 CE1 HIS A 51 11.169 4.131 7.867 1.00 0.00 C ATOM 698 NE2 HIS A 51 11.883 5.214 8.103 1.00 0.00 N ATOM 0 H HIS A 51 9.487 6.865 2.688 1.00 0.00 H new ATOM 0 HA HIS A 51 11.963 6.564 3.869 1.00 0.00 H new ATOM 0 HB2 HIS A 51 9.894 7.131 5.096 1.00 0.00 H new ATOM 0 HB3 HIS A 51 9.228 5.544 4.768 1.00 0.00 H new ATOM 0 HD1 HIS A 51 9.851 3.632 6.333 1.00 0.00 H new ATOM 0 HD2 HIS A 51 12.087 7.107 7.016 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.147 3.244 8.483 1.00 0.00 H new ATOM 707 N THR A 52 11.156 3.827 2.526 1.00 0.00 N ATOM 708 CA THR A 52 11.426 2.409 2.399 1.00 0.00 C ATOM 709 C THR A 52 10.512 1.613 3.349 1.00 0.00 C ATOM 710 O THR A 52 10.271 2.027 4.489 1.00 0.00 O ATOM 711 CB THR A 52 12.934 2.149 2.656 1.00 0.00 C ATOM 712 OG1 THR A 52 13.642 2.060 1.410 1.00 0.00 O ATOM 713 CG2 THR A 52 13.178 0.895 3.488 1.00 0.00 C ATOM 0 H THR A 52 10.660 4.239 1.736 1.00 0.00 H new ATOM 0 HA THR A 52 11.203 2.067 1.388 1.00 0.00 H new ATOM 0 HB THR A 52 13.310 2.995 3.231 1.00 0.00 H new ATOM 0 HG1 THR A 52 13.217 1.386 0.840 1.00 0.00 H new ATOM 0 HG21 THR A 52 14.249 0.760 3.638 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.687 0.999 4.455 1.00 0.00 H new ATOM 0 HG23 THR A 52 12.773 0.028 2.966 1.00 0.00 H new ATOM 721 N PRO A 53 9.950 0.491 2.862 1.00 0.00 N ATOM 722 CA PRO A 53 8.933 -0.291 3.592 1.00 0.00 C ATOM 723 C PRO A 53 9.331 -0.659 5.026 1.00 0.00 C ATOM 724 O PRO A 53 10.506 -0.882 5.325 1.00 0.00 O ATOM 725 CB PRO A 53 8.789 -1.553 2.747 1.00 0.00 C ATOM 726 CG PRO A 53 9.183 -1.138 1.374 1.00 0.00 C ATOM 727 CD PRO A 53 10.256 -0.105 1.545 1.00 0.00 C ATOM 0 HA PRO A 53 8.016 0.286 3.713 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.430 -2.353 3.118 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.766 -1.929 2.768 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.549 -1.989 0.799 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.331 -0.729 0.831 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.250 -0.551 1.527 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.227 0.640 0.750 1.00 0.00 H new ATOM 735 N SER A 54 8.329 -0.744 5.896 1.00 0.00 N ATOM 736 CA SER A 54 8.540 -1.035 7.304 1.00 0.00 C ATOM 737 C SER A 54 7.202 -1.426 7.930 1.00 0.00 C ATOM 738 O SER A 54 6.152 -1.186 7.335 1.00 0.00 O ATOM 739 CB SER A 54 9.136 0.185 8.018 1.00 0.00 C ATOM 740 OG SER A 54 9.570 -0.139 9.328 1.00 0.00 O ATOM 0 H SER A 54 7.350 -0.613 5.642 1.00 0.00 H new ATOM 0 HA SER A 54 9.245 -1.860 7.409 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.976 0.571 7.441 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.391 0.979 8.067 1.00 0.00 H new ATOM 0 HG SER A 54 9.946 0.659 9.755 1.00 0.00 H new ATOM 746 N LYS A 55 7.244 -2.033 9.110 1.00 0.00 N ATOM 747 CA LYS A 55 6.039 -2.528 9.774 1.00 0.00 C ATOM 748 C LYS A 55 5.018 -1.418 10.012 1.00 0.00 C ATOM 749 O LYS A 55 5.346 -0.367 10.570 1.00 0.00 O ATOM 750 CB LYS A 55 6.408 -3.190 11.107 1.00 0.00 C ATOM 751 CG LYS A 55 5.224 -3.448 12.027 1.00 0.00 C ATOM 752 CD LYS A 55 5.643 -4.201 13.279 1.00 0.00 C ATOM 753 CE LYS A 55 4.544 -4.198 14.334 1.00 0.00 C ATOM 754 NZ LYS A 55 3.261 -4.752 13.818 1.00 0.00 N ATOM 0 H LYS A 55 8.105 -2.196 9.632 1.00 0.00 H new ATOM 0 HA LYS A 55 5.580 -3.262 9.112 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.908 -4.137 10.903 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.126 -2.556 11.627 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.767 -2.499 12.308 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.466 -4.021 11.493 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.894 -5.229 13.018 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.544 -3.748 13.691 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.869 -4.782 15.195 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.382 -3.178 14.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.598 -4.887 14.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.849 -4.090 13.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.439 -5.666 13.355 1.00 0.00 H new ATOM 768 N GLY A 56 3.782 -1.667 9.587 1.00 0.00 N ATOM 769 CA GLY A 56 2.708 -0.718 9.802 1.00 0.00 C ATOM 770 C GLY A 56 2.744 0.423 8.809 1.00 0.00 C ATOM 771 O GLY A 56 2.550 1.583 9.175 1.00 0.00 O ATOM 0 H GLY A 56 3.506 -2.516 9.094 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.750 -1.233 9.726 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.776 -0.319 10.814 1.00 0.00 H new ATOM 775 N ALA A 57 2.974 0.090 7.551 1.00 0.00 N ATOM 776 CA ALA A 57 3.104 1.092 6.508 1.00 0.00 C ATOM 777 C ALA A 57 2.607 0.550 5.182 1.00 0.00 C ATOM 778 O ALA A 57 1.892 -0.445 5.142 1.00 0.00 O ATOM 779 CB ALA A 57 4.548 1.519 6.381 1.00 0.00 C ATOM 0 H ALA A 57 3.075 -0.872 7.226 1.00 0.00 H new ATOM 0 HA ALA A 57 2.496 1.955 6.779 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.638 2.271 5.597 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.888 1.940 7.327 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.162 0.655 6.127 1.00 0.00 H new ATOM 785 N ILE A 58 2.986 1.208 4.093 1.00 0.00 N ATOM 786 CA ILE A 58 2.576 0.775 2.771 1.00 0.00 C ATOM 787 C ILE A 58 3.730 0.888 1.780 1.00 0.00 C ATOM 788 O ILE A 58 4.677 1.652 1.986 1.00 0.00 O ATOM 789 CB ILE A 58 1.387 1.586 2.203 1.00 0.00 C ATOM 790 CG1 ILE A 58 0.365 1.978 3.279 1.00 0.00 C ATOM 791 CG2 ILE A 58 0.697 0.773 1.120 1.00 0.00 C ATOM 792 CD1 ILE A 58 0.748 3.209 4.077 1.00 0.00 C ATOM 0 H ILE A 58 3.575 2.041 4.103 1.00 0.00 H new ATOM 0 HA ILE A 58 2.263 -0.262 2.893 1.00 0.00 H new ATOM 0 HB ILE A 58 1.792 2.512 1.794 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.600 2.153 2.802 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.235 1.140 3.964 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.142 1.341 0.717 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.406 0.556 0.321 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.331 -0.162 1.544 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.026 3.419 4.816 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.696 3.033 4.585 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.849 4.061 3.405 1.00 0.00 H new ATOM 804 N LEU A 59 3.634 0.102 0.719 1.00 0.00 N ATOM 805 CA LEU A 59 4.580 0.126 -0.383 1.00 0.00 C ATOM 806 C LEU A 59 4.095 1.110 -1.444 1.00 0.00 C ATOM 807 O LEU A 59 2.917 1.469 -1.451 1.00 0.00 O ATOM 808 CB LEU A 59 4.642 -1.279 -0.996 1.00 0.00 C ATOM 809 CG LEU A 59 5.877 -1.606 -1.824 1.00 0.00 C ATOM 810 CD1 LEU A 59 6.977 -2.146 -0.926 1.00 0.00 C ATOM 811 CD2 LEU A 59 5.533 -2.601 -2.925 1.00 0.00 C ATOM 0 H LEU A 59 2.885 -0.580 0.599 1.00 0.00 H new ATOM 0 HA LEU A 59 5.564 0.431 -0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.571 -2.007 -0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.763 -1.415 -1.626 1.00 0.00 H new ATOM 0 HG LEU A 59 6.237 -0.693 -2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.857 -2.377 -1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.236 -1.397 -0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.629 -3.051 -0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.427 -2.823 -3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.152 -3.520 -2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.773 -2.173 -3.578 1.00 0.00 H new ATOM 823 N GLN A 60 4.979 1.533 -2.340 1.00 0.00 N ATOM 824 CA GLN A 60 4.572 2.403 -3.435 1.00 0.00 C ATOM 825 C GLN A 60 5.622 2.433 -4.531 1.00 0.00 C ATOM 826 O GLN A 60 6.822 2.480 -4.267 1.00 0.00 O ATOM 827 CB GLN A 60 4.288 3.822 -2.926 1.00 0.00 C ATOM 828 CG GLN A 60 3.441 4.673 -3.867 1.00 0.00 C ATOM 829 CD GLN A 60 4.207 5.266 -5.037 1.00 0.00 C ATOM 830 OE1 GLN A 60 5.392 5.575 -4.932 1.00 0.00 O ATOM 831 NE2 GLN A 60 3.531 5.419 -6.168 1.00 0.00 N ATOM 0 H GLN A 60 5.970 1.291 -2.331 1.00 0.00 H new ATOM 0 HA GLN A 60 3.653 1.997 -3.858 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.782 3.755 -1.963 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.237 4.329 -2.753 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.625 4.062 -4.254 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.989 5.484 -3.296 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.548 5.150 -6.215 1.00 0.00 H new ATOM 0 HE22 GLN A 60 3.994 5.805 -6.991 1.00 0.00 H new ATOM 840 N SER A 61 5.138 2.379 -5.758 1.00 0.00 N ATOM 841 CA SER A 61 5.964 2.506 -6.941 1.00 0.00 C ATOM 842 C SER A 61 5.098 2.985 -8.095 1.00 0.00 C ATOM 843 O SER A 61 3.962 2.534 -8.250 1.00 0.00 O ATOM 844 CB SER A 61 6.622 1.166 -7.284 1.00 0.00 C ATOM 845 OG SER A 61 7.197 1.186 -8.579 1.00 0.00 O ATOM 0 H SER A 61 4.148 2.244 -5.962 1.00 0.00 H new ATOM 0 HA SER A 61 6.758 3.229 -6.755 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.392 0.938 -6.547 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.880 0.370 -7.227 1.00 0.00 H new ATOM 0 HG SER A 61 8.116 0.849 -8.534 1.00 0.00 H new ATOM 851 N SER A 62 5.616 3.905 -8.889 1.00 0.00 N ATOM 852 CA SER A 62 4.870 4.433 -10.019 1.00 0.00 C ATOM 853 C SER A 62 5.251 3.687 -11.295 1.00 0.00 C ATOM 854 O SER A 62 4.827 4.043 -12.396 1.00 0.00 O ATOM 855 CB SER A 62 5.142 5.930 -10.164 1.00 0.00 C ATOM 856 OG SER A 62 4.913 6.604 -8.933 1.00 0.00 O ATOM 0 H SER A 62 6.548 4.302 -8.773 1.00 0.00 H new ATOM 0 HA SER A 62 3.804 4.289 -9.845 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.172 6.088 -10.485 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.499 6.348 -10.938 1.00 0.00 H new ATOM 0 HG SER A 62 3.954 6.776 -8.828 1.00 0.00 H new ATOM 862 N GLU A 63 6.028 2.622 -11.125 1.00 0.00 N ATOM 863 CA GLU A 63 6.517 1.825 -12.243 1.00 0.00 C ATOM 864 C GLU A 63 5.451 0.842 -12.726 1.00 0.00 C ATOM 865 O GLU A 63 5.678 -0.370 -12.756 1.00 0.00 O ATOM 866 CB GLU A 63 7.760 1.051 -11.811 1.00 0.00 C ATOM 867 CG GLU A 63 8.805 1.908 -11.119 1.00 0.00 C ATOM 868 CD GLU A 63 9.935 1.080 -10.557 1.00 0.00 C ATOM 869 OE1 GLU A 63 9.748 0.466 -9.483 1.00 0.00 O ATOM 870 OE2 GLU A 63 11.007 1.023 -11.197 1.00 0.00 O ATOM 0 H GLU A 63 6.335 2.289 -10.211 1.00 0.00 H new ATOM 0 HA GLU A 63 6.762 2.499 -13.064 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.461 0.246 -11.139 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.209 0.584 -12.688 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.205 2.634 -11.827 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.335 2.473 -10.314 1.00 0.00 H new ATOM 877 N GLY A 64 4.292 1.359 -13.090 1.00 0.00 N ATOM 878 CA GLY A 64 3.219 0.508 -13.556 1.00 0.00 C ATOM 879 C GLY A 64 2.012 1.306 -13.990 1.00 0.00 C ATOM 880 O GLY A 64 1.931 2.503 -13.714 1.00 0.00 O ATOM 0 H GLY A 64 4.073 2.355 -13.072 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.573 -0.097 -14.391 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.932 -0.181 -12.762 1.00 0.00 H new ATOM 884 N PRO A 65 1.050 0.660 -14.666 1.00 0.00 N ATOM 885 CA PRO A 65 -0.157 1.328 -15.165 1.00 0.00 C ATOM 886 C PRO A 65 -1.015 1.885 -14.034 1.00 0.00 C ATOM 887 O PRO A 65 -1.555 2.986 -14.131 1.00 0.00 O ATOM 888 CB PRO A 65 -0.907 0.218 -15.911 1.00 0.00 C ATOM 889 CG PRO A 65 -0.357 -1.061 -15.375 1.00 0.00 C ATOM 890 CD PRO A 65 1.068 -0.775 -15.000 1.00 0.00 C ATOM 0 HA PRO A 65 0.084 2.186 -15.792 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.981 0.286 -15.740 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.750 0.293 -16.987 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.928 -1.399 -14.510 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.412 -1.853 -16.122 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.390 -1.381 -14.153 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.751 -0.988 -15.823 1.00 0.00 H new ATOM 898 N PHE A 66 -1.133 1.118 -12.960 1.00 0.00 N ATOM 899 CA PHE A 66 -1.920 1.536 -11.811 1.00 0.00 C ATOM 900 C PHE A 66 -1.050 1.646 -10.568 1.00 0.00 C ATOM 901 O PHE A 66 -1.560 1.705 -9.456 1.00 0.00 O ATOM 902 CB PHE A 66 -3.069 0.558 -11.562 1.00 0.00 C ATOM 903 CG PHE A 66 -4.121 0.585 -12.635 1.00 0.00 C ATOM 904 CD1 PHE A 66 -5.084 1.582 -12.650 1.00 0.00 C ATOM 905 CD2 PHE A 66 -4.144 -0.380 -13.631 1.00 0.00 C ATOM 906 CE1 PHE A 66 -6.051 1.615 -13.637 1.00 0.00 C ATOM 907 CE2 PHE A 66 -5.109 -0.351 -14.620 1.00 0.00 C ATOM 908 CZ PHE A 66 -6.063 0.648 -14.623 1.00 0.00 C ATOM 0 H PHE A 66 -0.693 0.203 -12.861 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.336 2.519 -12.029 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.666 -0.452 -11.484 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.533 0.791 -10.603 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.079 2.341 -11.882 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.400 -1.163 -13.634 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.797 2.396 -13.637 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.117 -1.109 -15.390 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.817 0.673 -15.395 1.00 0.00 H new ATOM 918 N GLY A 67 0.262 1.691 -10.772 1.00 0.00 N ATOM 919 CA GLY A 67 1.188 1.827 -9.660 1.00 0.00 C ATOM 920 C GLY A 67 1.418 0.528 -8.910 1.00 0.00 C ATOM 921 O GLY A 67 1.038 -0.539 -9.381 1.00 0.00 O ATOM 0 H GLY A 67 0.703 1.636 -11.690 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.143 2.197 -10.034 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.805 2.576 -8.967 1.00 0.00 H new ATOM 925 N HIS A 68 2.061 0.619 -7.750 1.00 0.00 N ATOM 926 CA HIS A 68 2.368 -0.557 -6.933 1.00 0.00 C ATOM 927 C HIS A 68 2.247 -0.227 -5.453 1.00 0.00 C ATOM 928 O HIS A 68 3.248 0.121 -4.835 1.00 0.00 O ATOM 929 CB HIS A 68 3.811 -1.052 -7.160 1.00 0.00 C ATOM 930 CG HIS A 68 4.121 -1.566 -8.535 1.00 0.00 C ATOM 931 ND1 HIS A 68 4.261 -2.908 -8.824 1.00 0.00 N ATOM 932 CD2 HIS A 68 4.357 -0.912 -9.695 1.00 0.00 C ATOM 933 CE1 HIS A 68 4.569 -3.051 -10.098 1.00 0.00 C ATOM 934 NE2 HIS A 68 4.634 -1.856 -10.652 1.00 0.00 N ATOM 0 H HIS A 68 2.383 1.500 -7.350 1.00 0.00 H new ATOM 0 HA HIS A 68 1.656 -1.327 -7.228 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.494 -0.233 -6.937 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.019 -1.845 -6.442 1.00 0.00 H new ATOM 0 HD2 HIS A 68 4.332 0.158 -9.842 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.740 -3.990 -10.603 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.854 -1.665 -11.630 1.00 0.00 H new ATOM 943 N VAL A 69 1.054 -0.290 -4.877 1.00 0.00 N ATOM 944 CA VAL A 69 0.951 -0.130 -3.442 1.00 0.00 C ATOM 945 C VAL A 69 0.408 -1.385 -2.785 1.00 0.00 C ATOM 946 O VAL A 69 -0.592 -1.959 -3.216 1.00 0.00 O ATOM 947 CB VAL A 69 0.106 1.092 -3.045 1.00 0.00 C ATOM 948 CG1 VAL A 69 0.643 2.320 -3.748 1.00 0.00 C ATOM 949 CG2 VAL A 69 -1.372 0.890 -3.346 1.00 0.00 C ATOM 0 H VAL A 69 0.173 -0.446 -5.366 1.00 0.00 H new ATOM 0 HA VAL A 69 1.964 0.043 -3.079 1.00 0.00 H new ATOM 0 HB VAL A 69 0.184 1.228 -1.966 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.047 3.189 -3.469 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.680 2.483 -3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.589 2.174 -4.827 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.929 1.779 -3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.506 0.718 -4.414 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.742 0.028 -2.791 1.00 0.00 H new ATOM 959 N ALA A 70 1.117 -1.820 -1.766 1.00 0.00 N ATOM 960 CA ALA A 70 0.719 -2.956 -0.973 1.00 0.00 C ATOM 961 C ALA A 70 1.010 -2.651 0.478 1.00 0.00 C ATOM 962 O ALA A 70 2.073 -2.124 0.800 1.00 0.00 O ATOM 963 CB ALA A 70 1.460 -4.200 -1.418 1.00 0.00 C ATOM 0 H ALA A 70 1.992 -1.390 -1.465 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.347 -3.144 -1.103 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.147 -5.048 -0.808 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.234 -4.403 -2.465 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.533 -4.046 -1.301 1.00 0.00 H new ATOM 969 N TYR A 71 0.077 -2.966 1.347 1.00 0.00 N ATOM 970 CA TYR A 71 0.206 -2.613 2.743 1.00 0.00 C ATOM 971 C TYR A 71 1.291 -3.457 3.402 1.00 0.00 C ATOM 972 O TYR A 71 1.261 -4.685 3.355 1.00 0.00 O ATOM 973 CB TYR A 71 -1.146 -2.771 3.439 1.00 0.00 C ATOM 974 CG TYR A 71 -1.069 -2.738 4.943 1.00 0.00 C ATOM 975 CD1 TYR A 71 -1.128 -1.539 5.638 1.00 0.00 C ATOM 976 CD2 TYR A 71 -0.932 -3.913 5.667 1.00 0.00 C ATOM 977 CE1 TYR A 71 -1.051 -1.511 7.017 1.00 0.00 C ATOM 978 CE2 TYR A 71 -0.855 -3.893 7.042 1.00 0.00 C ATOM 979 CZ TYR A 71 -0.914 -2.692 7.714 1.00 0.00 C ATOM 980 OH TYR A 71 -0.842 -2.677 9.088 1.00 0.00 O ATOM 0 H TYR A 71 -0.780 -3.466 1.112 1.00 0.00 H new ATOM 0 HA TYR A 71 0.509 -1.570 2.833 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.811 -1.976 3.102 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -1.594 -3.715 3.129 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -1.236 -0.613 5.093 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.885 -4.857 5.145 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.098 -0.570 7.545 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.749 -4.816 7.592 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.748 -3.594 9.421 1.00 0.00 H new ATOM 990 N VAL A 72 2.257 -2.782 4.000 1.00 0.00 N ATOM 991 CA VAL A 72 3.400 -3.442 4.598 1.00 0.00 C ATOM 992 C VAL A 72 3.089 -3.860 6.023 1.00 0.00 C ATOM 993 O VAL A 72 2.853 -3.020 6.895 1.00 0.00 O ATOM 994 CB VAL A 72 4.643 -2.533 4.618 1.00 0.00 C ATOM 995 CG1 VAL A 72 5.843 -3.288 5.164 1.00 0.00 C ATOM 996 CG2 VAL A 72 4.935 -1.977 3.233 1.00 0.00 C ATOM 0 H VAL A 72 2.270 -1.766 4.084 1.00 0.00 H new ATOM 0 HA VAL A 72 3.612 -4.318 3.985 1.00 0.00 H new ATOM 0 HB VAL A 72 4.439 -1.690 5.278 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.713 -2.632 5.172 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.631 -3.622 6.180 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.047 -4.153 4.533 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.817 -1.339 3.276 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.116 -2.800 2.541 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.082 -1.393 2.888 1.00 0.00 H new ATOM 1006 N GLU A 73 3.095 -5.159 6.253 1.00 0.00 N ATOM 1007 CA GLU A 73 2.854 -5.693 7.578 1.00 0.00 C ATOM 1008 C GLU A 73 4.100 -5.539 8.440 1.00 0.00 C ATOM 1009 O GLU A 73 4.020 -5.063 9.572 1.00 0.00 O ATOM 1010 CB GLU A 73 2.422 -7.159 7.480 1.00 0.00 C ATOM 1011 CG GLU A 73 1.006 -7.334 6.948 1.00 0.00 C ATOM 1012 CD GLU A 73 -0.050 -7.164 8.024 1.00 0.00 C ATOM 1013 OE1 GLU A 73 0.009 -6.169 8.773 1.00 0.00 O ATOM 1014 OE2 GLU A 73 -0.936 -8.036 8.131 1.00 0.00 O ATOM 0 H GLU A 73 3.265 -5.865 5.537 1.00 0.00 H new ATOM 0 HA GLU A 73 2.048 -5.133 8.052 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.116 -7.693 6.830 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.492 -7.618 8.466 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.829 -6.609 6.153 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.909 -8.324 6.503 1.00 0.00 H new ATOM 1021 N SER A 74 5.258 -5.894 7.881 1.00 0.00 N ATOM 1022 CA SER A 74 6.523 -5.862 8.613 1.00 0.00 C ATOM 1023 C SER A 74 7.700 -6.086 7.671 1.00 0.00 C ATOM 1024 O SER A 74 7.562 -6.736 6.633 1.00 0.00 O ATOM 1025 CB SER A 74 6.554 -6.945 9.702 1.00 0.00 C ATOM 1026 OG SER A 74 5.637 -6.666 10.746 1.00 0.00 O ATOM 0 H SER A 74 5.345 -6.210 6.915 1.00 0.00 H new ATOM 0 HA SER A 74 6.605 -4.878 9.075 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.318 -7.913 9.259 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.561 -7.019 10.113 1.00 0.00 H new ATOM 0 HG SER A 74 5.203 -5.804 10.578 1.00 0.00 H new ATOM 1032 N VAL A 75 8.852 -5.534 8.027 1.00 0.00 N ATOM 1033 CA VAL A 75 10.095 -5.863 7.345 1.00 0.00 C ATOM 1034 C VAL A 75 10.829 -6.932 8.149 1.00 0.00 C ATOM 1035 O VAL A 75 10.974 -6.815 9.367 1.00 0.00 O ATOM 1036 CB VAL A 75 11.005 -4.623 7.134 1.00 0.00 C ATOM 1037 CG1 VAL A 75 11.289 -3.909 8.445 1.00 0.00 C ATOM 1038 CG2 VAL A 75 12.305 -5.017 6.447 1.00 0.00 C ATOM 0 H VAL A 75 8.951 -4.857 8.783 1.00 0.00 H new ATOM 0 HA VAL A 75 9.849 -6.238 6.351 1.00 0.00 H new ATOM 0 HB VAL A 75 10.468 -3.929 6.488 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.929 -3.046 8.258 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.351 -3.576 8.888 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.792 -4.592 9.130 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.927 -4.132 6.310 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.837 -5.742 7.063 1.00 0.00 H new ATOM 0 HG23 VAL A 75 12.084 -5.459 5.476 1.00 0.00 H new ATOM 1048 N ASN A 76 11.266 -7.981 7.479 1.00 0.00 N ATOM 1049 CA ASN A 76 11.861 -9.117 8.161 1.00 0.00 C ATOM 1050 C ASN A 76 13.308 -8.830 8.515 1.00 0.00 C ATOM 1051 O ASN A 76 13.937 -7.951 7.927 1.00 0.00 O ATOM 1052 CB ASN A 76 11.783 -10.375 7.294 1.00 0.00 C ATOM 1053 CG ASN A 76 10.366 -10.704 6.877 1.00 0.00 C ATOM 1054 OD1 ASN A 76 9.631 -11.368 7.606 1.00 0.00 O ATOM 1055 ND2 ASN A 76 9.980 -10.257 5.692 1.00 0.00 N ATOM 0 H ASN A 76 11.221 -8.071 6.464 1.00 0.00 H new ATOM 0 HA ASN A 76 11.298 -9.287 9.078 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.398 -10.238 6.404 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.202 -11.218 7.844 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.040 -10.460 5.352 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.622 -9.709 5.119 1.00 0.00 H new ATOM 1062 N SER A 77 13.843 -9.594 9.456 1.00 0.00 N ATOM 1063 CA SER A 77 15.222 -9.427 9.881 1.00 0.00 C ATOM 1064 C SER A 77 16.154 -9.972 8.805 1.00 0.00 C ATOM 1065 O SER A 77 17.362 -9.739 8.825 1.00 0.00 O ATOM 1066 CB SER A 77 15.455 -10.140 11.218 1.00 0.00 C ATOM 1067 OG SER A 77 16.730 -9.828 11.755 1.00 0.00 O ATOM 0 H SER A 77 13.340 -10.338 9.940 1.00 0.00 H new ATOM 0 HA SER A 77 15.432 -8.367 10.024 1.00 0.00 H new ATOM 0 HB2 SER A 77 14.679 -9.850 11.927 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.372 -11.218 11.077 1.00 0.00 H new ATOM 0 HG SER A 77 17.369 -9.694 11.024 1.00 0.00 H new ATOM 1073 N ASP A 78 15.564 -10.688 7.855 1.00 0.00 N ATOM 1074 CA ASP A 78 16.294 -11.238 6.724 1.00 0.00 C ATOM 1075 C ASP A 78 16.764 -10.129 5.794 1.00 0.00 C ATOM 1076 O ASP A 78 17.704 -10.310 5.020 1.00 0.00 O ATOM 1077 CB ASP A 78 15.408 -12.209 5.942 1.00 0.00 C ATOM 1078 CG ASP A 78 14.954 -13.387 6.773 1.00 0.00 C ATOM 1079 OD1 ASP A 78 13.918 -13.271 7.458 1.00 0.00 O ATOM 1080 OD2 ASP A 78 15.632 -14.435 6.748 1.00 0.00 O ATOM 0 H ASP A 78 14.567 -10.902 7.849 1.00 0.00 H new ATOM 0 HA ASP A 78 17.163 -11.769 7.112 1.00 0.00 H new ATOM 0 HB2 ASP A 78 14.534 -11.676 5.568 1.00 0.00 H new ATOM 0 HB3 ASP A 78 15.955 -12.573 5.072 1.00 0.00 H new ATOM 1085 N GLY A 79 16.109 -8.977 5.878 1.00 0.00 N ATOM 1086 CA GLY A 79 16.415 -7.881 4.983 1.00 0.00 C ATOM 1087 C GLY A 79 15.342 -7.708 3.933 1.00 0.00 C ATOM 1088 O GLY A 79 15.378 -6.775 3.136 1.00 0.00 O ATOM 0 H GLY A 79 15.369 -8.784 6.553 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.517 -6.959 5.556 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.374 -8.063 4.498 1.00 0.00 H new ATOM 1092 N SER A 80 14.383 -8.620 3.939 1.00 0.00 N ATOM 1093 CA SER A 80 13.287 -8.581 2.995 1.00 0.00 C ATOM 1094 C SER A 80 12.008 -8.117 3.681 1.00 0.00 C ATOM 1095 O SER A 80 11.830 -8.310 4.882 1.00 0.00 O ATOM 1096 CB SER A 80 13.096 -9.963 2.379 1.00 0.00 C ATOM 1097 OG SER A 80 13.096 -10.970 3.378 1.00 0.00 O ATOM 0 H SER A 80 14.345 -9.401 4.594 1.00 0.00 H new ATOM 0 HA SER A 80 13.522 -7.869 2.204 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.156 -9.993 1.828 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.893 -10.158 1.661 1.00 0.00 H new ATOM 0 HG SER A 80 12.970 -11.847 2.959 1.00 0.00 H new ATOM 1103 N VAL A 81 11.124 -7.504 2.917 1.00 0.00 N ATOM 1104 CA VAL A 81 9.892 -6.956 3.459 1.00 0.00 C ATOM 1105 C VAL A 81 8.688 -7.809 3.073 1.00 0.00 C ATOM 1106 O VAL A 81 8.560 -8.233 1.922 1.00 0.00 O ATOM 1107 CB VAL A 81 9.671 -5.515 2.962 1.00 0.00 C ATOM 1108 CG1 VAL A 81 8.427 -4.915 3.591 1.00 0.00 C ATOM 1109 CG2 VAL A 81 10.890 -4.659 3.257 1.00 0.00 C ATOM 0 H VAL A 81 11.236 -7.372 1.912 1.00 0.00 H new ATOM 0 HA VAL A 81 9.989 -6.955 4.545 1.00 0.00 H new ATOM 0 HB VAL A 81 9.524 -5.542 1.882 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.290 -3.897 3.226 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.558 -5.516 3.324 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.539 -4.900 4.675 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.717 -3.644 2.899 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.069 -4.639 4.332 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.760 -5.078 2.752 1.00 0.00 H new ATOM 1119 N THR A 82 7.813 -8.055 4.039 1.00 0.00 N ATOM 1120 CA THR A 82 6.588 -8.793 3.795 1.00 0.00 C ATOM 1121 C THR A 82 5.411 -7.831 3.655 1.00 0.00 C ATOM 1122 O THR A 82 4.998 -7.186 4.626 1.00 0.00 O ATOM 1123 CB THR A 82 6.299 -9.798 4.931 1.00 0.00 C ATOM 1124 OG1 THR A 82 7.389 -10.720 5.060 1.00 0.00 O ATOM 1125 CG2 THR A 82 5.013 -10.570 4.668 1.00 0.00 C ATOM 0 H THR A 82 7.934 -7.750 5.005 1.00 0.00 H new ATOM 0 HA THR A 82 6.718 -9.350 2.867 1.00 0.00 H new ATOM 0 HB THR A 82 6.182 -9.234 5.856 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.462 -11.012 5.993 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.835 -11.270 5.484 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.178 -9.873 4.599 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.104 -11.120 3.732 1.00 0.00 H new ATOM 1133 N ILE A 83 4.895 -7.717 2.441 1.00 0.00 N ATOM 1134 CA ILE A 83 3.751 -6.860 2.180 1.00 0.00 C ATOM 1135 C ILE A 83 2.497 -7.696 1.981 1.00 0.00 C ATOM 1136 O ILE A 83 2.570 -8.860 1.581 1.00 0.00 O ATOM 1137 CB ILE A 83 3.960 -5.976 0.931 1.00 0.00 C ATOM 1138 CG1 ILE A 83 4.175 -6.844 -0.314 1.00 0.00 C ATOM 1139 CG2 ILE A 83 5.134 -5.030 1.137 1.00 0.00 C ATOM 1140 CD1 ILE A 83 4.281 -6.056 -1.601 1.00 0.00 C ATOM 0 H ILE A 83 5.251 -8.208 1.621 1.00 0.00 H new ATOM 0 HA ILE A 83 3.639 -6.211 3.049 1.00 0.00 H new ATOM 0 HB ILE A 83 3.062 -5.378 0.778 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.084 -7.431 -0.183 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.349 -7.550 -0.399 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.266 -4.415 0.247 1.00 0.00 H new ATOM 0 HG22 ILE A 83 4.938 -4.388 1.996 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.040 -5.608 1.316 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.432 -6.741 -2.435 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.363 -5.490 -1.758 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.125 -5.369 -1.538 1.00 0.00 H new ATOM 1152 N SER A 84 1.355 -7.105 2.264 1.00 0.00 N ATOM 1153 CA SER A 84 0.086 -7.762 2.052 1.00 0.00 C ATOM 1154 C SER A 84 -0.772 -6.921 1.116 1.00 0.00 C ATOM 1155 O SER A 84 -1.076 -5.759 1.398 1.00 0.00 O ATOM 1156 CB SER A 84 -0.626 -7.996 3.385 1.00 0.00 C ATOM 1157 OG SER A 84 -1.766 -8.821 3.217 1.00 0.00 O ATOM 0 H SER A 84 1.282 -6.162 2.645 1.00 0.00 H new ATOM 0 HA SER A 84 0.258 -8.735 1.592 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.062 -8.461 4.092 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.925 -7.040 3.814 1.00 0.00 H new ATOM 0 HG SER A 84 -2.517 -8.449 3.725 1.00 0.00 H new ATOM 1163 N GLU A 85 -1.139 -7.507 -0.008 1.00 0.00 N ATOM 1164 CA GLU A 85 -1.932 -6.817 -1.013 1.00 0.00 C ATOM 1165 C GLU A 85 -3.073 -7.698 -1.495 1.00 0.00 C ATOM 1166 O GLU A 85 -2.852 -8.772 -2.051 1.00 0.00 O ATOM 1167 CB GLU A 85 -1.057 -6.394 -2.198 1.00 0.00 C ATOM 1168 CG GLU A 85 -0.191 -7.517 -2.750 1.00 0.00 C ATOM 1169 CD GLU A 85 0.542 -7.128 -4.018 1.00 0.00 C ATOM 1170 OE1 GLU A 85 1.363 -6.192 -3.974 1.00 0.00 O ATOM 1171 OE2 GLU A 85 0.320 -7.779 -5.061 1.00 0.00 O ATOM 0 H GLU A 85 -0.899 -8.468 -0.251 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.352 -5.922 -0.554 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.698 -6.016 -2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.414 -5.570 -1.888 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.535 -7.814 -1.993 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.817 -8.387 -2.950 1.00 0.00 H new ATOM 1178 N MET A 86 -4.294 -7.256 -1.260 1.00 0.00 N ATOM 1179 CA MET A 86 -5.459 -7.995 -1.706 1.00 0.00 C ATOM 1180 C MET A 86 -5.761 -7.687 -3.168 1.00 0.00 C ATOM 1181 O MET A 86 -6.062 -6.541 -3.518 1.00 0.00 O ATOM 1182 CB MET A 86 -6.672 -7.664 -0.838 1.00 0.00 C ATOM 1183 CG MET A 86 -7.875 -8.538 -1.138 1.00 0.00 C ATOM 1184 SD MET A 86 -9.226 -8.296 0.027 1.00 0.00 S ATOM 1185 CE MET A 86 -8.523 -9.004 1.517 1.00 0.00 C ATOM 0 H MET A 86 -4.504 -6.390 -0.764 1.00 0.00 H new ATOM 0 HA MET A 86 -5.243 -9.059 -1.610 1.00 0.00 H new ATOM 0 HB2 MET A 86 -6.401 -7.777 0.212 1.00 0.00 H new ATOM 0 HB3 MET A 86 -6.944 -6.619 -0.987 1.00 0.00 H new ATOM 0 HG2 MET A 86 -8.229 -8.325 -2.147 1.00 0.00 H new ATOM 0 HG3 MET A 86 -7.571 -9.584 -1.121 1.00 0.00 H new ATOM 0 HE1 MET A 86 -8.949 -8.511 2.390 1.00 0.00 H new ATOM 0 HE2 MET A 86 -8.749 -10.070 1.555 1.00 0.00 H new ATOM 0 HE3 MET A 86 -7.442 -8.863 1.512 1.00 0.00 H new ATOM 1195 N ASN A 87 -5.647 -8.718 -4.004 1.00 0.00 N ATOM 1196 CA ASN A 87 -5.974 -8.645 -5.428 1.00 0.00 C ATOM 1197 C ASN A 87 -4.914 -7.880 -6.211 1.00 0.00 C ATOM 1198 O ASN A 87 -4.132 -8.485 -6.944 1.00 0.00 O ATOM 1199 CB ASN A 87 -7.361 -8.026 -5.643 1.00 0.00 C ATOM 1200 CG ASN A 87 -7.678 -7.753 -7.101 1.00 0.00 C ATOM 1201 OD1 ASN A 87 -7.201 -8.436 -7.993 1.00 0.00 O ATOM 1202 ND2 ASN A 87 -8.483 -6.736 -7.350 1.00 0.00 N ATOM 0 H ASN A 87 -5.321 -9.638 -3.708 1.00 0.00 H new ATOM 0 HA ASN A 87 -5.992 -9.666 -5.809 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.117 -8.696 -5.233 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.425 -7.093 -5.084 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -8.724 -6.500 -8.313 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -8.864 -6.186 -6.580 1.00 0.00 H new ATOM 1209 N TYR A 88 -4.879 -6.560 -6.034 1.00 0.00 N ATOM 1210 CA TYR A 88 -3.980 -5.696 -6.794 1.00 0.00 C ATOM 1211 C TYR A 88 -4.106 -5.956 -8.304 1.00 0.00 C ATOM 1212 O TYR A 88 -3.204 -6.507 -8.937 1.00 0.00 O ATOM 1213 CB TYR A 88 -2.526 -5.859 -6.306 1.00 0.00 C ATOM 1214 CG TYR A 88 -1.501 -5.126 -7.148 1.00 0.00 C ATOM 1215 CD1 TYR A 88 -1.679 -3.794 -7.504 1.00 0.00 C ATOM 1216 CD2 TYR A 88 -0.360 -5.778 -7.598 1.00 0.00 C ATOM 1217 CE1 TYR A 88 -0.751 -3.135 -8.286 1.00 0.00 C ATOM 1218 CE2 TYR A 88 0.575 -5.125 -8.376 1.00 0.00 C ATOM 1219 CZ TYR A 88 0.373 -3.807 -8.719 1.00 0.00 C ATOM 1220 OH TYR A 88 1.296 -3.154 -9.502 1.00 0.00 O ATOM 0 H TYR A 88 -5.468 -6.064 -5.365 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.273 -4.661 -6.620 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.458 -5.502 -5.278 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.276 -6.920 -6.292 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.557 -3.266 -7.163 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.202 -6.813 -7.335 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.904 -2.101 -8.557 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.459 -5.645 -8.713 1.00 0.00 H new ATOM 0 HH TYR A 88 0.983 -2.244 -9.687 1.00 0.00 H new ATOM 1230 N SER A 89 -5.268 -5.596 -8.857 1.00 0.00 N ATOM 1231 CA SER A 89 -5.502 -5.642 -10.304 1.00 0.00 C ATOM 1232 C SER A 89 -5.275 -7.048 -10.876 1.00 0.00 C ATOM 1233 O SER A 89 -4.857 -7.200 -12.026 1.00 0.00 O ATOM 1234 CB SER A 89 -4.589 -4.624 -11.005 1.00 0.00 C ATOM 1235 OG SER A 89 -4.880 -4.526 -12.390 1.00 0.00 O ATOM 0 H SER A 89 -6.069 -5.266 -8.318 1.00 0.00 H new ATOM 0 HA SER A 89 -6.545 -5.385 -10.487 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.708 -3.646 -10.538 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.548 -4.917 -10.872 1.00 0.00 H new ATOM 0 HG SER A 89 -4.945 -5.425 -12.775 1.00 0.00 H new ATOM 1241 N GLY A 90 -5.581 -8.068 -10.090 1.00 0.00 N ATOM 1242 CA GLY A 90 -5.373 -9.427 -10.535 1.00 0.00 C ATOM 1243 C GLY A 90 -6.535 -10.330 -10.187 1.00 0.00 C ATOM 1244 O GLY A 90 -7.620 -10.204 -10.755 1.00 0.00 O ATOM 0 H GLY A 90 -5.970 -7.978 -9.151 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.221 -9.434 -11.614 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.463 -9.820 -10.082 1.00 0.00 H new ATOM 1248 N GLY A 91 -6.312 -11.232 -9.243 1.00 0.00 N ATOM 1249 CA GLY A 91 -7.352 -12.154 -8.840 1.00 0.00 C ATOM 1250 C GLY A 91 -8.183 -11.615 -7.693 1.00 0.00 C ATOM 1251 O GLY A 91 -7.637 -11.082 -6.729 1.00 0.00 O ATOM 0 H GLY A 91 -5.427 -11.342 -8.748 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.001 -12.361 -9.691 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.901 -13.102 -8.545 1.00 0.00 H new ATOM 1255 N PRO A 92 -9.516 -11.740 -7.772 1.00 0.00 N ATOM 1256 CA PRO A 92 -10.431 -11.237 -6.741 1.00 0.00 C ATOM 1257 C PRO A 92 -10.072 -11.730 -5.340 1.00 0.00 C ATOM 1258 O PRO A 92 -10.024 -12.938 -5.086 1.00 0.00 O ATOM 1259 CB PRO A 92 -11.793 -11.788 -7.169 1.00 0.00 C ATOM 1260 CG PRO A 92 -11.671 -11.989 -8.638 1.00 0.00 C ATOM 1261 CD PRO A 92 -10.240 -12.381 -8.883 1.00 0.00 C ATOM 0 HA PRO A 92 -10.398 -10.150 -6.672 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.020 -12.724 -6.658 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -12.596 -11.091 -6.929 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.353 -12.765 -8.984 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.924 -11.078 -9.179 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.113 -13.464 -8.874 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.886 -12.026 -9.851 1.00 0.00 H new ATOM 1269 N PHE A 93 -9.792 -10.774 -4.455 1.00 0.00 N ATOM 1270 CA PHE A 93 -9.519 -11.043 -3.044 1.00 0.00 C ATOM 1271 C PHE A 93 -8.295 -11.925 -2.824 1.00 0.00 C ATOM 1272 O PHE A 93 -8.208 -12.613 -1.803 1.00 0.00 O ATOM 1273 CB PHE A 93 -10.727 -11.679 -2.354 1.00 0.00 C ATOM 1274 CG PHE A 93 -11.884 -10.739 -2.153 1.00 0.00 C ATOM 1275 CD1 PHE A 93 -12.806 -10.524 -3.163 1.00 0.00 C ATOM 1276 CD2 PHE A 93 -12.047 -10.073 -0.949 1.00 0.00 C ATOM 1277 CE1 PHE A 93 -13.871 -9.663 -2.975 1.00 0.00 C ATOM 1278 CE2 PHE A 93 -13.110 -9.211 -0.755 1.00 0.00 C ATOM 1279 CZ PHE A 93 -14.023 -9.006 -1.770 1.00 0.00 C ATOM 0 H PHE A 93 -9.748 -9.785 -4.699 1.00 0.00 H new ATOM 0 HA PHE A 93 -9.310 -10.070 -2.600 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -11.063 -12.531 -2.945 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -10.415 -12.067 -1.384 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -12.692 -11.034 -4.108 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -11.335 -10.229 -0.152 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -14.584 -9.504 -3.770 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -13.226 -8.699 0.189 1.00 0.00 H new ATOM 0 HZ PHE A 93 -14.855 -8.333 -1.622 1.00 0.00 H new ATOM 1289 N SER A 94 -7.346 -11.909 -3.748 1.00 0.00 N ATOM 1290 CA SER A 94 -6.080 -12.569 -3.490 1.00 0.00 C ATOM 1291 C SER A 94 -5.270 -11.737 -2.514 1.00 0.00 C ATOM 1292 O SER A 94 -4.457 -10.911 -2.928 1.00 0.00 O ATOM 1293 CB SER A 94 -5.267 -12.794 -4.772 1.00 0.00 C ATOM 1294 OG SER A 94 -5.206 -11.611 -5.552 1.00 0.00 O ATOM 0 H SER A 94 -7.425 -11.458 -4.660 1.00 0.00 H new ATOM 0 HA SER A 94 -6.299 -13.549 -3.067 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.258 -13.116 -4.515 1.00 0.00 H new ATOM 0 HB3 SER A 94 -5.718 -13.596 -5.356 1.00 0.00 H new ATOM 0 HG SER A 94 -6.030 -11.520 -6.074 1.00 0.00 H new ATOM 1300 N VAL A 95 -5.545 -11.889 -1.225 1.00 0.00 N ATOM 1301 CA VAL A 95 -4.715 -11.259 -0.216 1.00 0.00 C ATOM 1302 C VAL A 95 -3.313 -11.870 -0.279 1.00 0.00 C ATOM 1303 O VAL A 95 -2.982 -12.837 0.414 1.00 0.00 O ATOM 1304 CB VAL A 95 -5.323 -11.361 1.205 1.00 0.00 C ATOM 1305 CG1 VAL A 95 -5.712 -12.790 1.540 1.00 0.00 C ATOM 1306 CG2 VAL A 95 -4.366 -10.795 2.248 1.00 0.00 C ATOM 0 H VAL A 95 -6.325 -12.435 -0.861 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.657 -10.192 -0.430 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.233 -10.761 1.220 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -6.135 -12.826 2.544 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -6.451 -13.144 0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.829 -13.427 1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.816 -10.878 3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.431 -11.355 2.226 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.166 -9.747 2.027 1.00 0.00 H new ATOM 1316 N SER A 96 -2.516 -11.324 -1.175 1.00 0.00 N ATOM 1317 CA SER A 96 -1.240 -11.897 -1.517 1.00 0.00 C ATOM 1318 C SER A 96 -0.139 -11.303 -0.662 1.00 0.00 C ATOM 1319 O SER A 96 -0.329 -10.287 0.009 1.00 0.00 O ATOM 1320 CB SER A 96 -0.952 -11.664 -3.001 1.00 0.00 C ATOM 1321 OG SER A 96 -2.011 -12.159 -3.808 1.00 0.00 O ATOM 0 H SER A 96 -2.740 -10.469 -1.685 1.00 0.00 H new ATOM 0 HA SER A 96 -1.273 -12.970 -1.325 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.816 -10.598 -3.186 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.019 -12.157 -3.276 1.00 0.00 H new ATOM 0 HG SER A 96 -2.831 -11.659 -3.614 1.00 0.00 H new ATOM 1327 N SER A 97 1.005 -11.947 -0.692 1.00 0.00 N ATOM 1328 CA SER A 97 2.144 -11.515 0.098 1.00 0.00 C ATOM 1329 C SER A 97 3.435 -11.645 -0.697 1.00 0.00 C ATOM 1330 O SER A 97 3.934 -12.747 -0.925 1.00 0.00 O ATOM 1331 CB SER A 97 2.223 -12.321 1.396 1.00 0.00 C ATOM 1332 OG SER A 97 1.041 -12.149 2.163 1.00 0.00 O ATOM 0 H SER A 97 1.176 -12.778 -1.258 1.00 0.00 H new ATOM 0 HA SER A 97 2.010 -10.463 0.350 1.00 0.00 H new ATOM 0 HB2 SER A 97 2.364 -13.377 1.167 1.00 0.00 H new ATOM 0 HB3 SER A 97 3.089 -12.003 1.976 1.00 0.00 H new ATOM 0 HG SER A 97 1.108 -12.673 2.989 1.00 0.00 H new ATOM 1338 N ARG A 98 3.955 -10.512 -1.136 1.00 0.00 N ATOM 1339 CA ARG A 98 5.194 -10.481 -1.892 1.00 0.00 C ATOM 1340 C ARG A 98 6.351 -10.152 -0.955 1.00 0.00 C ATOM 1341 O ARG A 98 6.176 -9.409 0.012 1.00 0.00 O ATOM 1342 CB ARG A 98 5.092 -9.446 -3.016 1.00 0.00 C ATOM 1343 CG ARG A 98 6.235 -9.496 -4.016 1.00 0.00 C ATOM 1344 CD ARG A 98 6.087 -8.422 -5.090 1.00 0.00 C ATOM 1345 NE ARG A 98 4.896 -8.626 -5.919 1.00 0.00 N ATOM 1346 CZ ARG A 98 3.747 -7.965 -5.755 1.00 0.00 C ATOM 1347 NH1 ARG A 98 3.651 -7.016 -4.833 1.00 0.00 N ATOM 1348 NH2 ARG A 98 2.708 -8.236 -6.532 1.00 0.00 N ATOM 0 H ARG A 98 3.535 -9.596 -0.980 1.00 0.00 H new ATOM 0 HA ARG A 98 5.375 -11.457 -2.342 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.152 -9.595 -3.548 1.00 0.00 H new ATOM 0 HB3 ARG A 98 5.054 -8.450 -2.575 1.00 0.00 H new ATOM 0 HG2 ARG A 98 7.182 -9.362 -3.494 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.266 -10.479 -4.485 1.00 0.00 H new ATOM 0 HD2 ARG A 98 6.034 -7.442 -4.616 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.973 -8.421 -5.725 1.00 0.00 H new ATOM 0 HE ARG A 98 4.948 -9.316 -6.668 1.00 0.00 H new ATOM 0 HH11 ARG A 98 4.455 -6.790 -4.248 1.00 0.00 H new ATOM 0 HH12 ARG A 98 2.773 -6.512 -4.709 1.00 0.00 H new ATOM 0 HH21 ARG A 98 2.785 -8.950 -7.256 1.00 0.00 H new ATOM 0 HH22 ARG A 98 1.831 -7.731 -6.406 1.00 0.00 H new ATOM 1362 N THR A 99 7.518 -10.711 -1.228 1.00 0.00 N ATOM 1363 CA THR A 99 8.672 -10.502 -0.378 1.00 0.00 C ATOM 1364 C THR A 99 9.690 -9.614 -1.083 1.00 0.00 C ATOM 1365 O THR A 99 10.336 -10.035 -2.042 1.00 0.00 O ATOM 1366 CB THR A 99 9.318 -11.847 0.001 1.00 0.00 C ATOM 1367 OG1 THR A 99 8.298 -12.756 0.434 1.00 0.00 O ATOM 1368 CG2 THR A 99 10.341 -11.665 1.110 1.00 0.00 C ATOM 0 H THR A 99 7.689 -11.313 -2.033 1.00 0.00 H new ATOM 0 HA THR A 99 8.341 -10.007 0.535 1.00 0.00 H new ATOM 0 HB THR A 99 9.829 -12.247 -0.875 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.705 -13.614 0.675 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.783 -12.630 1.359 1.00 0.00 H new ATOM 0 HG22 THR A 99 11.123 -10.983 0.775 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.852 -11.251 1.992 1.00 0.00 H new ATOM 1376 N ILE A 100 9.813 -8.381 -0.618 1.00 0.00 N ATOM 1377 CA ILE A 100 10.699 -7.411 -1.246 1.00 0.00 C ATOM 1378 C ILE A 100 12.089 -7.475 -0.632 1.00 0.00 C ATOM 1379 O ILE A 100 12.269 -7.171 0.544 1.00 0.00 O ATOM 1380 CB ILE A 100 10.164 -5.962 -1.119 1.00 0.00 C ATOM 1381 CG1 ILE A 100 8.870 -5.774 -1.910 1.00 0.00 C ATOM 1382 CG2 ILE A 100 11.202 -4.961 -1.586 1.00 0.00 C ATOM 1383 CD1 ILE A 100 7.649 -6.311 -1.211 1.00 0.00 C ATOM 0 H ILE A 100 9.309 -8.026 0.195 1.00 0.00 H new ATOM 0 HA ILE A 100 10.745 -7.672 -2.303 1.00 0.00 H new ATOM 0 HB ILE A 100 9.951 -5.786 -0.065 1.00 0.00 H new ATOM 0 HG12 ILE A 100 8.727 -4.712 -2.108 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.971 -6.267 -2.877 1.00 0.00 H new ATOM 0 HG21 ILE A 100 10.804 -3.951 -1.488 1.00 0.00 H new ATOM 0 HG22 ILE A 100 12.101 -5.058 -0.977 1.00 0.00 H new ATOM 0 HG23 ILE A 100 11.449 -5.153 -2.630 1.00 0.00 H new ATOM 0 HD11 ILE A 100 6.770 -6.142 -1.833 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.770 -7.380 -1.037 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.522 -5.800 -0.256 1.00 0.00 H new ATOM 1395 N SER A 101 13.060 -7.888 -1.423 1.00 0.00 N ATOM 1396 CA SER A 101 14.446 -7.880 -0.989 1.00 0.00 C ATOM 1397 C SER A 101 14.936 -6.436 -0.835 1.00 0.00 C ATOM 1398 O SER A 101 14.382 -5.520 -1.445 1.00 0.00 O ATOM 1399 CB SER A 101 15.308 -8.645 -1.991 1.00 0.00 C ATOM 1400 OG SER A 101 14.856 -9.985 -2.137 1.00 0.00 O ATOM 0 H SER A 101 12.916 -8.234 -2.372 1.00 0.00 H new ATOM 0 HA SER A 101 14.525 -8.374 -0.021 1.00 0.00 H new ATOM 0 HB2 SER A 101 15.281 -8.142 -2.957 1.00 0.00 H new ATOM 0 HB3 SER A 101 16.346 -8.642 -1.659 1.00 0.00 H new ATOM 0 HG SER A 101 15.423 -10.453 -2.785 1.00 0.00 H new ATOM 1406 N ALA A 102 15.967 -6.245 -0.017 1.00 0.00 N ATOM 1407 CA ALA A 102 16.475 -4.912 0.317 1.00 0.00 C ATOM 1408 C ALA A 102 16.780 -4.063 -0.922 1.00 0.00 C ATOM 1409 O ALA A 102 16.528 -2.854 -0.928 1.00 0.00 O ATOM 1410 CB ALA A 102 17.714 -5.036 1.188 1.00 0.00 C ATOM 0 H ALA A 102 16.475 -7.006 0.434 1.00 0.00 H new ATOM 0 HA ALA A 102 15.686 -4.395 0.864 1.00 0.00 H new ATOM 0 HB1 ALA A 102 18.087 -4.042 1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 102 17.461 -5.566 2.107 1.00 0.00 H new ATOM 0 HB3 ALA A 102 18.483 -5.590 0.650 1.00 0.00 H new ATOM 1416 N SER A 103 17.311 -4.693 -1.964 1.00 0.00 N ATOM 1417 CA SER A 103 17.643 -3.991 -3.199 1.00 0.00 C ATOM 1418 C SER A 103 16.401 -3.316 -3.787 1.00 0.00 C ATOM 1419 O SER A 103 16.469 -2.190 -4.283 1.00 0.00 O ATOM 1420 CB SER A 103 18.248 -4.964 -4.214 1.00 0.00 C ATOM 1421 OG SER A 103 18.844 -4.279 -5.301 1.00 0.00 O ATOM 0 H SER A 103 17.521 -5.691 -1.978 1.00 0.00 H new ATOM 0 HA SER A 103 18.378 -3.219 -2.970 1.00 0.00 H new ATOM 0 HB2 SER A 103 18.995 -5.586 -3.722 1.00 0.00 H new ATOM 0 HB3 SER A 103 17.471 -5.632 -4.586 1.00 0.00 H new ATOM 0 HG SER A 103 19.222 -4.929 -5.930 1.00 0.00 H new ATOM 1427 N GLU A 104 15.264 -3.999 -3.708 1.00 0.00 N ATOM 1428 CA GLU A 104 14.011 -3.454 -4.209 1.00 0.00 C ATOM 1429 C GLU A 104 13.337 -2.604 -3.137 1.00 0.00 C ATOM 1430 O GLU A 104 12.525 -1.731 -3.440 1.00 0.00 O ATOM 1431 CB GLU A 104 13.055 -4.567 -4.660 1.00 0.00 C ATOM 1432 CG GLU A 104 13.560 -5.402 -5.831 1.00 0.00 C ATOM 1433 CD GLU A 104 14.628 -6.402 -5.437 1.00 0.00 C ATOM 1434 OE1 GLU A 104 14.297 -7.401 -4.769 1.00 0.00 O ATOM 1435 OE2 GLU A 104 15.800 -6.216 -5.819 1.00 0.00 O ATOM 0 H GLU A 104 15.186 -4.931 -3.301 1.00 0.00 H new ATOM 0 HA GLU A 104 14.245 -2.832 -5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.864 -5.228 -3.815 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.101 -4.118 -4.936 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.720 -5.935 -6.277 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.959 -4.737 -6.597 1.00 0.00 H new ATOM 1442 N ALA A 105 13.679 -2.864 -1.881 1.00 0.00 N ATOM 1443 CA ALA A 105 13.129 -2.104 -0.768 1.00 0.00 C ATOM 1444 C ALA A 105 13.534 -0.643 -0.880 1.00 0.00 C ATOM 1445 O ALA A 105 12.768 0.256 -0.529 1.00 0.00 O ATOM 1446 CB ALA A 105 13.579 -2.686 0.565 1.00 0.00 C ATOM 0 H ALA A 105 14.335 -3.596 -1.609 1.00 0.00 H new ATOM 0 HA ALA A 105 12.042 -2.170 -0.811 1.00 0.00 H new ATOM 0 HB1 ALA A 105 13.154 -2.100 1.380 1.00 0.00 H new ATOM 0 HB2 ALA A 105 13.239 -3.718 0.645 1.00 0.00 H new ATOM 0 HB3 ALA A 105 14.667 -2.657 0.626 1.00 0.00 H new ATOM 1452 N GLY A 106 14.736 -0.413 -1.400 1.00 0.00 N ATOM 1453 CA GLY A 106 15.196 0.942 -1.650 1.00 0.00 C ATOM 1454 C GLY A 106 14.695 1.487 -2.977 1.00 0.00 C ATOM 1455 O GLY A 106 15.323 2.358 -3.578 1.00 0.00 O ATOM 0 H GLY A 106 15.402 -1.143 -1.653 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.859 1.592 -0.843 1.00 0.00 H new ATOM 0 HA3 GLY A 106 16.286 0.961 -1.641 1.00 0.00 H new ATOM 1459 N ASN A 107 13.570 0.956 -3.442 1.00 0.00 N ATOM 1460 CA ASN A 107 12.948 1.414 -4.682 1.00 0.00 C ATOM 1461 C ASN A 107 11.511 1.862 -4.427 1.00 0.00 C ATOM 1462 O ASN A 107 10.922 2.596 -5.222 1.00 0.00 O ATOM 1463 CB ASN A 107 12.979 0.290 -5.732 1.00 0.00 C ATOM 1464 CG ASN A 107 12.241 0.636 -7.016 1.00 0.00 C ATOM 1465 OD1 ASN A 107 12.799 1.271 -7.909 1.00 0.00 O ATOM 1466 ND2 ASN A 107 10.994 0.190 -7.132 1.00 0.00 N ATOM 0 H ASN A 107 13.066 0.202 -2.976 1.00 0.00 H new ATOM 0 HA ASN A 107 13.511 2.267 -5.061 1.00 0.00 H new ATOM 0 HB2 ASN A 107 14.016 0.056 -5.971 1.00 0.00 H new ATOM 0 HB3 ASN A 107 12.540 -0.610 -5.302 1.00 0.00 H new ATOM 0 HD21 ASN A 107 10.465 0.371 -7.985 1.00 0.00 H new ATOM 0 HD22 ASN A 107 10.566 -0.333 -6.368 1.00 0.00 H new ATOM 1473 N TYR A 108 10.956 1.436 -3.302 1.00 0.00 N ATOM 1474 CA TYR A 108 9.555 1.699 -3.005 1.00 0.00 C ATOM 1475 C TYR A 108 9.395 2.849 -2.016 1.00 0.00 C ATOM 1476 O TYR A 108 10.182 2.998 -1.079 1.00 0.00 O ATOM 1477 CB TYR A 108 8.890 0.435 -2.465 1.00 0.00 C ATOM 1478 CG TYR A 108 8.854 -0.703 -3.463 1.00 0.00 C ATOM 1479 CD1 TYR A 108 8.168 -0.576 -4.663 1.00 0.00 C ATOM 1480 CD2 TYR A 108 9.498 -1.905 -3.202 1.00 0.00 C ATOM 1481 CE1 TYR A 108 8.125 -1.614 -5.574 1.00 0.00 C ATOM 1482 CE2 TYR A 108 9.459 -2.949 -4.109 1.00 0.00 C ATOM 1483 CZ TYR A 108 8.772 -2.795 -5.293 1.00 0.00 C ATOM 1484 OH TYR A 108 8.732 -3.826 -6.200 1.00 0.00 O ATOM 0 H TYR A 108 11.451 0.909 -2.583 1.00 0.00 H new ATOM 0 HA TYR A 108 9.065 1.995 -3.933 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.422 0.108 -1.572 1.00 0.00 H new ATOM 0 HB3 TYR A 108 7.871 0.672 -2.160 1.00 0.00 H new ATOM 0 HD1 TYR A 108 7.659 0.350 -4.888 1.00 0.00 H new ATOM 0 HD2 TYR A 108 10.039 -2.027 -2.275 1.00 0.00 H new ATOM 0 HE1 TYR A 108 7.586 -1.499 -6.503 1.00 0.00 H new ATOM 0 HE2 TYR A 108 9.964 -3.878 -3.890 1.00 0.00 H new ATOM 0 HH TYR A 108 9.239 -4.589 -5.851 1.00 0.00 H new ATOM 1494 N ASN A 109 8.362 3.651 -2.230 1.00 0.00 N ATOM 1495 CA ASN A 109 8.130 4.843 -1.427 1.00 0.00 C ATOM 1496 C ASN A 109 7.201 4.556 -0.249 1.00 0.00 C ATOM 1497 O ASN A 109 6.039 4.210 -0.426 1.00 0.00 O ATOM 1498 CB ASN A 109 7.538 5.962 -2.296 1.00 0.00 C ATOM 1499 CG ASN A 109 8.477 6.408 -3.400 1.00 0.00 C ATOM 1500 OD1 ASN A 109 8.487 5.840 -4.490 1.00 0.00 O ATOM 1501 ND2 ASN A 109 9.264 7.437 -3.128 1.00 0.00 N ATOM 0 H ASN A 109 7.666 3.496 -2.959 1.00 0.00 H new ATOM 0 HA ASN A 109 9.092 5.163 -1.028 1.00 0.00 H new ATOM 0 HB2 ASN A 109 6.603 5.617 -2.738 1.00 0.00 H new ATOM 0 HB3 ASN A 109 7.295 6.817 -1.664 1.00 0.00 H new ATOM 0 HD21 ASN A 109 9.910 7.786 -3.836 1.00 0.00 H new ATOM 0 HD22 ASN A 109 9.225 7.881 -2.210 1.00 0.00 H new ATOM 1508 N TYR A 110 7.734 4.701 0.955 1.00 0.00 N ATOM 1509 CA TYR A 110 6.943 4.602 2.174 1.00 0.00 C ATOM 1510 C TYR A 110 6.360 5.975 2.450 1.00 0.00 C ATOM 1511 O TYR A 110 7.116 6.935 2.620 1.00 0.00 O ATOM 1512 CB TYR A 110 7.884 4.150 3.312 1.00 0.00 C ATOM 1513 CG TYR A 110 7.351 4.173 4.743 1.00 0.00 C ATOM 1514 CD1 TYR A 110 6.688 5.280 5.270 1.00 0.00 C ATOM 1515 CD2 TYR A 110 7.579 3.096 5.589 1.00 0.00 C ATOM 1516 CE1 TYR A 110 6.260 5.305 6.582 1.00 0.00 C ATOM 1517 CE2 TYR A 110 7.165 3.120 6.908 1.00 0.00 C ATOM 1518 CZ TYR A 110 6.503 4.223 7.397 1.00 0.00 C ATOM 1519 OH TYR A 110 6.092 4.246 8.709 1.00 0.00 O ATOM 0 H TYR A 110 8.723 4.890 1.115 1.00 0.00 H new ATOM 0 HA TYR A 110 6.130 3.882 2.087 1.00 0.00 H new ATOM 0 HB2 TYR A 110 8.206 3.132 3.093 1.00 0.00 H new ATOM 0 HB3 TYR A 110 8.773 4.779 3.278 1.00 0.00 H new ATOM 0 HD1 TYR A 110 6.505 6.137 4.638 1.00 0.00 H new ATOM 0 HD2 TYR A 110 8.089 2.223 5.210 1.00 0.00 H new ATOM 0 HE1 TYR A 110 5.738 6.168 6.967 1.00 0.00 H new ATOM 0 HE2 TYR A 110 7.361 2.276 7.553 1.00 0.00 H new ATOM 0 HH TYR A 110 6.341 3.404 9.144 1.00 0.00 H new ATOM 1529 N ILE A 111 5.042 6.093 2.481 1.00 0.00 N ATOM 1530 CA ILE A 111 4.436 7.386 2.711 1.00 0.00 C ATOM 1531 C ILE A 111 4.171 7.595 4.195 1.00 0.00 C ATOM 1532 O ILE A 111 3.363 6.900 4.809 1.00 0.00 O ATOM 1533 CB ILE A 111 3.148 7.597 1.880 1.00 0.00 C ATOM 1534 CG1 ILE A 111 2.151 6.462 2.093 1.00 0.00 C ATOM 1535 CG2 ILE A 111 3.500 7.706 0.404 1.00 0.00 C ATOM 1536 CD1 ILE A 111 0.789 6.734 1.482 1.00 0.00 C ATOM 0 H ILE A 111 4.386 5.323 2.352 1.00 0.00 H new ATOM 0 HA ILE A 111 5.149 8.138 2.373 1.00 0.00 H new ATOM 0 HB ILE A 111 2.679 8.522 2.216 1.00 0.00 H new ATOM 0 HG12 ILE A 111 2.557 5.546 1.664 1.00 0.00 H new ATOM 0 HG13 ILE A 111 2.033 6.288 3.163 1.00 0.00 H new ATOM 0 HG21 ILE A 111 2.590 7.854 -0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 111 4.170 8.552 0.251 1.00 0.00 H new ATOM 0 HG23 ILE A 111 3.993 6.790 0.079 1.00 0.00 H new ATOM 0 HD11 ILE A 111 0.130 5.887 1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 111 0.363 7.632 1.929 1.00 0.00 H new ATOM 0 HD13 ILE A 111 0.895 6.879 0.407 1.00 0.00 H new ATOM 1548 N HIS A 112 4.922 8.522 4.768 1.00 0.00 N ATOM 1549 CA HIS A 112 4.786 8.884 6.176 1.00 0.00 C ATOM 1550 C HIS A 112 3.425 9.507 6.451 1.00 0.00 C ATOM 1551 O HIS A 112 2.682 9.823 5.530 1.00 0.00 O ATOM 1552 CB HIS A 112 5.872 9.882 6.583 1.00 0.00 C ATOM 1553 CG HIS A 112 7.220 9.286 6.846 1.00 0.00 C ATOM 1554 ND1 HIS A 112 7.717 9.133 8.114 1.00 0.00 N ATOM 1555 CD2 HIS A 112 8.208 8.879 6.006 1.00 0.00 C ATOM 1556 CE1 HIS A 112 8.947 8.675 8.054 1.00 0.00 C ATOM 1557 NE2 HIS A 112 9.281 8.513 6.785 1.00 0.00 N ATOM 0 H HIS A 112 5.644 9.046 4.273 1.00 0.00 H new ATOM 0 HA HIS A 112 4.889 7.968 6.758 1.00 0.00 H new ATOM 0 HB2 HIS A 112 5.970 10.629 5.795 1.00 0.00 H new ATOM 0 HB3 HIS A 112 5.543 10.406 7.480 1.00 0.00 H new ATOM 0 HD1 HIS A 112 7.209 9.343 8.973 1.00 0.00 H new ATOM 0 HD2 HIS A 112 8.160 8.849 4.928 1.00 0.00 H new ATOM 0 HE1 HIS A 112 9.581 8.465 8.902 1.00 0.00 H new ATOM 1566 N ILE A 113 3.119 9.702 7.721 1.00 0.00 N ATOM 1567 CA ILE A 113 1.866 10.316 8.116 1.00 0.00 C ATOM 1568 C ILE A 113 2.138 11.691 8.714 1.00 0.00 C ATOM 1569 O ILE A 113 1.934 12.700 8.013 1.00 0.00 O ATOM 1570 CB ILE A 113 1.107 9.439 9.135 1.00 0.00 C ATOM 1571 CG1 ILE A 113 0.981 8.004 8.606 1.00 0.00 C ATOM 1572 CG2 ILE A 113 -0.273 10.025 9.418 1.00 0.00 C ATOM 1573 CD1 ILE A 113 0.385 7.033 9.603 1.00 0.00 C ATOM 1574 OXT ILE A 113 2.610 11.750 9.869 1.00 0.00 O ATOM 0 H ILE A 113 3.725 9.442 8.499 1.00 0.00 H new ATOM 0 HA ILE A 113 1.240 10.417 7.230 1.00 0.00 H new ATOM 0 HB ILE A 113 1.671 9.420 10.068 1.00 0.00 H new ATOM 0 HG12 ILE A 113 0.364 8.011 7.707 1.00 0.00 H new ATOM 0 HG13 ILE A 113 1.968 7.648 8.312 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.795 9.395 10.138 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.165 11.030 9.826 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.846 10.069 8.492 1.00 0.00 H new ATOM 0 HD11 ILE A 113 0.329 6.041 9.155 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.013 6.994 10.493 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.616 7.364 9.879 1.00 0.00 H new TER 1586 ILE A 113