USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 607 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 49:sc= -0.177 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 11 ASN : amide:sc= -1.43 K(o=-1.4,f=-3.1!) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0309 USER MOD Single : A 13 ASN : amide:sc= -1.47 K(o=-1.5,f=-9!) USER MOD Single : A 15 LYS NZ :NH3+ -100:sc= -0.965 (180deg=-2.36!) USER MOD Single : A 16 THR OG1 : rot 81:sc=0.000265 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 25 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.18) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 85:sc= 1.29 USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.0477 X(o=-0.048,f=-0.048) USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 60 GLN : amide:sc= -0.195 X(o=-0.2,f=-0.11) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.717 F(o=-3!,f=-0.72) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -0.28 F(o=-0.92,f=-0.28) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.436 X(o=-0.44,f=-0.85) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -1.05 K(o=-1.1,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -20.875 -57.132 -1.370 1.00 0.00 N ATOM 2 CA ALA A 1 -19.689 -57.599 -2.132 1.00 0.00 C ATOM 3 C ALA A 1 -18.521 -56.627 -1.981 1.00 0.00 C ATOM 4 O ALA A 1 -18.042 -56.063 -2.963 1.00 0.00 O ATOM 5 CB ALA A 1 -20.047 -57.778 -3.603 1.00 0.00 C ATOM 0 H1 ALA A 1 -21.654 -57.811 -1.490 1.00 0.00 H new ATOM 0 H2 ALA A 1 -20.632 -57.058 -0.361 1.00 0.00 H new ATOM 0 H3 ALA A 1 -21.170 -56.200 -1.724 1.00 0.00 H new ATOM 0 HA ALA A 1 -19.379 -58.561 -1.725 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -19.170 -58.121 -4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -20.844 -58.515 -3.696 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -20.383 -56.826 -4.014 1.00 0.00 H new ATOM 13 N ASP A 2 -18.066 -56.438 -0.744 1.00 0.00 N ATOM 14 CA ASP A 2 -16.953 -55.535 -0.465 1.00 0.00 C ATOM 15 C ASP A 2 -15.614 -56.249 -0.632 1.00 0.00 C ATOM 16 O ASP A 2 -14.606 -55.629 -0.970 1.00 0.00 O ATOM 17 CB ASP A 2 -17.071 -54.965 0.951 1.00 0.00 C ATOM 18 CG ASP A 2 -17.495 -53.509 0.948 1.00 0.00 C ATOM 19 OD1 ASP A 2 -18.279 -53.122 0.056 1.00 0.00 O ATOM 20 OD2 ASP A 2 -17.042 -52.757 1.836 1.00 0.00 O ATOM 0 H ASP A 2 -18.451 -56.898 0.081 1.00 0.00 H new ATOM 0 HA ASP A 2 -16.996 -54.715 -1.182 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -17.794 -55.551 1.518 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -16.113 -55.062 1.461 1.00 0.00 H new ATOM 25 N LYS A 3 -15.613 -57.556 -0.389 1.00 0.00 N ATOM 26 CA LYS A 3 -14.400 -58.359 -0.508 1.00 0.00 C ATOM 27 C LYS A 3 -13.779 -58.217 -1.893 1.00 0.00 C ATOM 28 O LYS A 3 -12.572 -58.394 -2.063 1.00 0.00 O ATOM 29 CB LYS A 3 -14.706 -59.830 -0.225 1.00 0.00 C ATOM 30 CG LYS A 3 -15.387 -60.063 1.114 1.00 0.00 C ATOM 31 CD LYS A 3 -14.627 -61.072 1.961 1.00 0.00 C ATOM 32 CE LYS A 3 -14.994 -62.499 1.585 1.00 0.00 C ATOM 33 NZ LYS A 3 -13.957 -63.135 0.725 1.00 0.00 N ATOM 0 H LYS A 3 -16.440 -58.083 -0.108 1.00 0.00 H new ATOM 0 HA LYS A 3 -13.684 -57.993 0.228 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -15.342 -60.219 -1.020 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -13.776 -60.398 -0.254 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -15.463 -59.119 1.653 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -16.404 -60.419 0.949 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -13.555 -60.924 1.831 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -14.847 -60.904 3.015 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -15.125 -63.090 2.491 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -15.950 -62.501 1.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -14.247 -64.106 0.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -13.849 -62.586 -0.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -13.050 -63.157 1.233 1.00 0.00 H new ATOM 47 N THR A 4 -14.610 -57.900 -2.879 1.00 0.00 N ATOM 48 CA THR A 4 -14.142 -57.736 -4.249 1.00 0.00 C ATOM 49 C THR A 4 -13.331 -56.451 -4.395 1.00 0.00 C ATOM 50 O THR A 4 -12.253 -56.452 -4.990 1.00 0.00 O ATOM 51 CB THR A 4 -15.330 -57.720 -5.215 1.00 0.00 C ATOM 52 OG1 THR A 4 -16.508 -57.295 -4.552 1.00 0.00 O ATOM 53 CG2 THR A 4 -15.617 -59.071 -5.835 1.00 0.00 C ATOM 0 H THR A 4 -15.611 -57.751 -2.755 1.00 0.00 H new ATOM 0 HA THR A 4 -13.497 -58.580 -4.493 1.00 0.00 H new ATOM 0 HB THR A 4 -15.048 -57.027 -6.008 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.324 -56.471 -4.054 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.470 -58.988 -6.508 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.744 -59.407 -6.395 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.844 -59.791 -5.049 1.00 0.00 H new ATOM 61 N ILE A 5 -13.856 -55.358 -3.852 1.00 0.00 N ATOM 62 CA ILE A 5 -13.178 -54.068 -3.929 1.00 0.00 C ATOM 63 C ILE A 5 -11.973 -54.017 -2.992 1.00 0.00 C ATOM 64 O ILE A 5 -10.836 -53.855 -3.436 1.00 0.00 O ATOM 65 CB ILE A 5 -14.126 -52.904 -3.576 1.00 0.00 C ATOM 66 CG1 ILE A 5 -15.522 -53.137 -4.164 1.00 0.00 C ATOM 67 CG2 ILE A 5 -13.553 -51.586 -4.076 1.00 0.00 C ATOM 68 CD1 ILE A 5 -16.599 -53.271 -3.113 1.00 0.00 C ATOM 0 H ILE A 5 -14.746 -55.339 -3.355 1.00 0.00 H new ATOM 0 HA ILE A 5 -12.843 -53.958 -4.961 1.00 0.00 H new ATOM 0 HB ILE A 5 -14.219 -52.857 -2.491 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -15.772 -52.309 -4.827 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -15.505 -54.040 -4.774 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -14.233 -50.773 -3.820 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -12.584 -51.410 -3.609 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -13.431 -51.630 -5.158 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -17.562 -53.434 -3.597 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -16.371 -54.117 -2.464 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -16.642 -52.359 -2.518 1.00 0.00 H new ATOM 80 N PHE A 6 -12.233 -54.147 -1.693 1.00 0.00 N ATOM 81 CA PHE A 6 -11.175 -54.108 -0.689 1.00 0.00 C ATOM 82 C PHE A 6 -10.418 -52.783 -0.751 1.00 0.00 C ATOM 83 O PHE A 6 -10.763 -51.899 -1.535 1.00 0.00 O ATOM 84 CB PHE A 6 -10.206 -55.280 -0.886 1.00 0.00 C ATOM 85 CG PHE A 6 -10.231 -56.277 0.239 1.00 0.00 C ATOM 86 CD1 PHE A 6 -10.152 -55.857 1.556 1.00 0.00 C ATOM 87 CD2 PHE A 6 -10.332 -57.634 -0.024 1.00 0.00 C ATOM 88 CE1 PHE A 6 -10.172 -56.772 2.592 1.00 0.00 C ATOM 89 CE2 PHE A 6 -10.353 -58.553 1.007 1.00 0.00 C ATOM 90 CZ PHE A 6 -10.273 -58.123 2.318 1.00 0.00 C ATOM 0 H PHE A 6 -13.170 -54.280 -1.312 1.00 0.00 H new ATOM 0 HA PHE A 6 -11.637 -54.196 0.294 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -10.450 -55.790 -1.818 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -9.194 -54.890 -0.992 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -10.074 -54.803 1.776 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -10.395 -57.977 -1.046 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -10.109 -56.431 3.615 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -10.432 -59.608 0.789 1.00 0.00 H new ATOM 0 HZ PHE A 6 -10.289 -58.840 3.125 1.00 0.00 H new ATOM 100 N ASN A 7 -9.389 -52.655 0.086 1.00 0.00 N ATOM 101 CA ASN A 7 -8.566 -51.444 0.143 1.00 0.00 C ATOM 102 C ASN A 7 -9.293 -50.307 0.857 1.00 0.00 C ATOM 103 O ASN A 7 -8.902 -49.898 1.951 1.00 0.00 O ATOM 104 CB ASN A 7 -8.148 -50.988 -1.260 1.00 0.00 C ATOM 105 CG ASN A 7 -6.844 -51.616 -1.711 1.00 0.00 C ATOM 106 OD1 ASN A 7 -5.785 -51.348 -1.145 1.00 0.00 O ATOM 107 ND2 ASN A 7 -6.916 -52.455 -2.737 1.00 0.00 N ATOM 0 H ASN A 7 -9.102 -53.383 0.741 1.00 0.00 H new ATOM 0 HA ASN A 7 -7.671 -51.696 0.712 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -8.935 -51.242 -1.970 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -8.048 -49.903 -1.271 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.071 -52.907 -3.086 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.816 -52.648 -3.176 1.00 0.00 H new ATOM 114 N ASP A 8 -10.343 -49.794 0.225 1.00 0.00 N ATOM 115 CA ASP A 8 -11.120 -48.693 0.790 1.00 0.00 C ATOM 116 C ASP A 8 -10.220 -47.511 1.135 1.00 0.00 C ATOM 117 O ASP A 8 -10.457 -46.801 2.114 1.00 0.00 O ATOM 118 CB ASP A 8 -11.864 -49.153 2.042 1.00 0.00 C ATOM 119 CG ASP A 8 -12.950 -48.179 2.457 1.00 0.00 C ATOM 120 OD1 ASP A 8 -13.781 -47.815 1.598 1.00 0.00 O ATOM 121 OD2 ASP A 8 -12.968 -47.779 3.639 1.00 0.00 O ATOM 0 H ASP A 8 -10.677 -50.123 -0.681 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.843 -48.374 0.039 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.307 -50.132 1.859 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.154 -49.272 2.860 1.00 0.00 H new ATOM 126 N HIS A 9 -9.187 -47.306 0.325 1.00 0.00 N ATOM 127 CA HIS A 9 -8.252 -46.210 0.542 1.00 0.00 C ATOM 128 C HIS A 9 -8.916 -44.866 0.266 1.00 0.00 C ATOM 129 O HIS A 9 -8.829 -43.941 1.073 1.00 0.00 O ATOM 130 CB HIS A 9 -7.019 -46.376 -0.353 1.00 0.00 C ATOM 131 CG HIS A 9 -5.842 -46.981 0.349 1.00 0.00 C ATOM 132 ND1 HIS A 9 -5.954 -48.022 1.245 1.00 0.00 N ATOM 133 CD2 HIS A 9 -4.520 -46.688 0.280 1.00 0.00 C ATOM 134 CE1 HIS A 9 -4.755 -48.344 1.698 1.00 0.00 C ATOM 135 NE2 HIS A 9 -3.868 -47.550 1.127 1.00 0.00 N ATOM 0 H HIS A 9 -8.977 -47.885 -0.488 1.00 0.00 H new ATOM 0 HA HIS A 9 -7.940 -46.234 1.586 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -7.282 -47.001 -1.207 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.734 -45.401 -0.748 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -4.065 -45.920 -0.328 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -4.538 -49.124 2.413 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -2.861 -47.573 1.289 1.00 0.00 H new ATOM 144 N LEU A 10 -9.569 -44.759 -0.890 1.00 0.00 N ATOM 145 CA LEU A 10 -10.240 -43.523 -1.289 1.00 0.00 C ATOM 146 C LEU A 10 -9.227 -42.479 -1.766 1.00 0.00 C ATOM 147 O LEU A 10 -9.511 -41.697 -2.674 1.00 0.00 O ATOM 148 CB LEU A 10 -11.084 -42.957 -0.141 1.00 0.00 C ATOM 149 CG LEU A 10 -12.163 -41.956 -0.571 1.00 0.00 C ATOM 150 CD1 LEU A 10 -13.552 -42.472 -0.224 1.00 0.00 C ATOM 151 CD2 LEU A 10 -11.922 -40.598 0.071 1.00 0.00 C ATOM 0 H LEU A 10 -9.648 -45.516 -1.569 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.906 -43.763 -2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.563 -43.785 0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.420 -42.470 0.574 1.00 0.00 H new ATOM 0 HG LEU A 10 -12.104 -41.841 -1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -14.300 -41.744 -0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -13.727 -43.418 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -13.625 -42.624 0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -12.698 -39.902 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.947 -40.699 1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.947 -40.219 -0.235 1.00 0.00 H new ATOM 163 N ASN A 11 -8.039 -42.477 -1.154 1.00 0.00 N ATOM 164 CA ASN A 11 -6.988 -41.537 -1.523 1.00 0.00 C ATOM 165 C ASN A 11 -7.463 -40.092 -1.344 1.00 0.00 C ATOM 166 O ASN A 11 -8.323 -39.818 -0.509 1.00 0.00 O ATOM 167 CB ASN A 11 -6.549 -41.793 -2.967 1.00 0.00 C ATOM 168 CG ASN A 11 -5.116 -41.371 -3.225 1.00 0.00 C ATOM 169 OD1 ASN A 11 -4.292 -41.335 -2.312 1.00 0.00 O ATOM 170 ND2 ASN A 11 -4.814 -41.040 -4.476 1.00 0.00 N ATOM 0 H ASN A 11 -7.786 -43.117 -0.402 1.00 0.00 H new ATOM 0 HA ASN A 11 -6.133 -41.688 -0.864 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -6.658 -42.854 -3.193 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.210 -41.253 -3.645 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -3.867 -40.741 -4.710 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -5.529 -41.085 -5.202 1.00 0.00 H new ATOM 177 N THR A 12 -6.904 -39.170 -2.129 1.00 0.00 N ATOM 178 CA THR A 12 -7.281 -37.765 -2.048 1.00 0.00 C ATOM 179 C THR A 12 -6.932 -37.180 -0.679 1.00 0.00 C ATOM 180 O THR A 12 -7.569 -36.233 -0.216 1.00 0.00 O ATOM 181 CB THR A 12 -8.778 -37.597 -2.335 1.00 0.00 C ATOM 182 OG1 THR A 12 -9.235 -38.581 -3.248 1.00 0.00 O ATOM 183 CG2 THR A 12 -9.121 -36.251 -2.927 1.00 0.00 C ATOM 0 H THR A 12 -6.189 -39.375 -2.827 1.00 0.00 H new ATOM 0 HA THR A 12 -6.715 -37.219 -2.803 1.00 0.00 H new ATOM 0 HB THR A 12 -9.266 -37.697 -1.365 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.193 -38.454 -3.414 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.195 -36.195 -3.107 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.828 -35.463 -2.233 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.588 -36.121 -3.869 1.00 0.00 H new ATOM 191 N ASN A 13 -5.910 -37.746 -0.043 1.00 0.00 N ATOM 192 CA ASN A 13 -5.464 -37.282 1.268 1.00 0.00 C ATOM 193 C ASN A 13 -4.736 -35.935 1.171 1.00 0.00 C ATOM 194 O ASN A 13 -5.063 -34.998 1.899 1.00 0.00 O ATOM 195 CB ASN A 13 -4.548 -38.320 1.920 1.00 0.00 C ATOM 196 CG ASN A 13 -5.138 -39.716 1.886 1.00 0.00 C ATOM 197 OD1 ASN A 13 -5.607 -40.180 0.847 1.00 0.00 O ATOM 198 ND2 ASN A 13 -5.119 -40.393 3.028 1.00 0.00 N ATOM 0 H ASN A 13 -5.373 -38.529 -0.416 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.351 -37.146 1.886 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.585 -38.323 1.409 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.358 -38.034 2.955 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.503 -41.337 3.068 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.720 -39.969 3.866 1.00 0.00 H new ATOM 205 N PRO A 14 -3.732 -35.817 0.277 1.00 0.00 N ATOM 206 CA PRO A 14 -2.963 -34.578 0.105 1.00 0.00 C ATOM 207 C PRO A 14 -3.854 -33.357 -0.107 1.00 0.00 C ATOM 208 O PRO A 14 -3.448 -32.226 0.165 1.00 0.00 O ATOM 209 CB PRO A 14 -2.107 -34.839 -1.146 1.00 0.00 C ATOM 210 CG PRO A 14 -2.662 -36.080 -1.760 1.00 0.00 C ATOM 211 CD PRO A 14 -3.257 -36.869 -0.633 1.00 0.00 C ATOM 0 HA PRO A 14 -2.376 -34.350 0.995 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.161 -34.000 -1.840 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.057 -34.968 -0.883 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.416 -35.841 -2.509 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -1.881 -36.649 -2.264 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.071 -37.510 -0.972 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.520 -37.515 -0.156 1.00 0.00 H new ATOM 219 N LYS A 15 -5.065 -33.589 -0.597 1.00 0.00 N ATOM 220 CA LYS A 15 -6.006 -32.505 -0.850 1.00 0.00 C ATOM 221 C LYS A 15 -6.259 -31.683 0.411 1.00 0.00 C ATOM 222 O LYS A 15 -6.586 -30.502 0.329 1.00 0.00 O ATOM 223 CB LYS A 15 -7.323 -33.064 -1.390 1.00 0.00 C ATOM 224 CG LYS A 15 -7.510 -32.832 -2.881 1.00 0.00 C ATOM 225 CD LYS A 15 -6.789 -33.887 -3.705 1.00 0.00 C ATOM 226 CE LYS A 15 -7.491 -34.130 -5.033 1.00 0.00 C ATOM 227 NZ LYS A 15 -7.139 -35.452 -5.621 1.00 0.00 N ATOM 0 H LYS A 15 -5.419 -34.518 -0.827 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.565 -31.845 -1.597 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.365 -34.134 -1.188 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.152 -32.605 -0.851 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.573 -32.845 -3.122 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.135 -31.843 -3.146 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.762 -33.569 -3.887 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.739 -34.819 -3.142 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.570 -34.075 -4.887 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.223 -33.339 -5.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.416 -35.323 -6.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.767 -36.075 -4.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.988 -35.882 -6.041 1.00 0.00 H new ATOM 241 N THR A 16 -6.112 -32.309 1.573 1.00 0.00 N ATOM 242 CA THR A 16 -6.336 -31.623 2.843 1.00 0.00 C ATOM 243 C THR A 16 -5.205 -30.642 3.151 1.00 0.00 C ATOM 244 O THR A 16 -5.451 -29.489 3.505 1.00 0.00 O ATOM 245 CB THR A 16 -6.465 -32.641 3.980 1.00 0.00 C ATOM 246 OG1 THR A 16 -7.429 -33.638 3.672 1.00 0.00 O ATOM 247 CG2 THR A 16 -6.863 -32.018 5.299 1.00 0.00 C ATOM 0 H THR A 16 -5.839 -33.288 1.664 1.00 0.00 H new ATOM 0 HA THR A 16 -7.264 -31.058 2.758 1.00 0.00 H new ATOM 0 HB THR A 16 -5.471 -33.076 4.081 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.024 -34.316 3.091 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.936 -32.794 6.061 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.112 -31.287 5.597 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.828 -31.523 5.191 1.00 0.00 H new ATOM 255 N ASN A 17 -3.969 -31.108 3.020 1.00 0.00 N ATOM 256 CA ASN A 17 -2.805 -30.273 3.290 1.00 0.00 C ATOM 257 C ASN A 17 -2.728 -29.111 2.305 1.00 0.00 C ATOM 258 O ASN A 17 -2.542 -27.959 2.698 1.00 0.00 O ATOM 259 CB ASN A 17 -1.527 -31.109 3.210 1.00 0.00 C ATOM 260 CG ASN A 17 -1.363 -32.035 4.400 1.00 0.00 C ATOM 261 OD1 ASN A 17 -1.410 -31.602 5.551 1.00 0.00 O ATOM 262 ND2 ASN A 17 -1.165 -33.320 4.126 1.00 0.00 N ATOM 0 H ASN A 17 -3.747 -32.060 2.728 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.905 -29.866 4.296 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.540 -31.699 2.294 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.665 -30.444 3.149 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -1.045 -33.991 4.885 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.133 -33.636 3.157 1.00 0.00 H new ATOM 269 N LEU A 18 -2.868 -29.425 1.023 1.00 0.00 N ATOM 270 CA LEU A 18 -2.812 -28.412 -0.024 1.00 0.00 C ATOM 271 C LEU A 18 -3.899 -27.357 0.169 1.00 0.00 C ATOM 272 O LEU A 18 -3.648 -26.163 0.014 1.00 0.00 O ATOM 273 CB LEU A 18 -2.957 -29.066 -1.403 1.00 0.00 C ATOM 274 CG LEU A 18 -1.944 -28.600 -2.455 1.00 0.00 C ATOM 275 CD1 LEU A 18 -1.953 -27.082 -2.582 1.00 0.00 C ATOM 276 CD2 LEU A 18 -0.550 -29.102 -2.109 1.00 0.00 C ATOM 0 H LEU A 18 -3.021 -30.374 0.683 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.842 -27.918 0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.866 -30.146 -1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.962 -28.870 -1.777 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.233 -29.021 -3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.226 -26.776 -3.334 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.947 -26.748 -2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.693 -26.635 -1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.157 -28.762 -2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.254 -28.712 -1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.553 -30.192 -2.078 1.00 0.00 H new ATOM 288 N ARG A 19 -5.107 -27.807 0.499 1.00 0.00 N ATOM 289 CA ARG A 19 -6.238 -26.901 0.701 1.00 0.00 C ATOM 290 C ARG A 19 -6.003 -25.966 1.883 1.00 0.00 C ATOM 291 O ARG A 19 -6.145 -24.749 1.763 1.00 0.00 O ATOM 292 CB ARG A 19 -7.527 -27.698 0.918 1.00 0.00 C ATOM 293 CG ARG A 19 -8.640 -27.331 -0.047 1.00 0.00 C ATOM 294 CD ARG A 19 -9.662 -26.422 0.612 1.00 0.00 C ATOM 295 NE ARG A 19 -10.214 -25.449 -0.324 1.00 0.00 N ATOM 296 CZ ARG A 19 -11.142 -25.740 -1.231 1.00 0.00 C ATOM 297 NH1 ARG A 19 -11.607 -26.977 -1.344 1.00 0.00 N ATOM 298 NH2 ARG A 19 -11.606 -24.791 -2.029 1.00 0.00 N ATOM 0 H ARG A 19 -5.329 -28.793 0.633 1.00 0.00 H new ATOM 0 HA ARG A 19 -6.336 -26.293 -0.198 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.308 -28.761 0.819 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.875 -27.538 1.938 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.218 -26.834 -0.921 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.131 -28.237 -0.401 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.470 -27.025 1.026 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.196 -25.898 1.446 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.868 -24.490 -0.280 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.253 -27.713 -0.733 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.319 -27.192 -2.042 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.252 -23.838 -1.948 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.318 -25.013 -2.725 1.00 0.00 H new ATOM 312 N LEU A 20 -5.652 -26.534 3.029 1.00 0.00 N ATOM 313 CA LEU A 20 -5.409 -25.733 4.220 1.00 0.00 C ATOM 314 C LEU A 20 -4.247 -24.769 3.996 1.00 0.00 C ATOM 315 O LEU A 20 -4.304 -23.609 4.400 1.00 0.00 O ATOM 316 CB LEU A 20 -5.117 -26.634 5.420 1.00 0.00 C ATOM 317 CG LEU A 20 -6.263 -27.564 5.826 1.00 0.00 C ATOM 318 CD1 LEU A 20 -5.782 -28.598 6.836 1.00 0.00 C ATOM 319 CD2 LEU A 20 -7.428 -26.759 6.389 1.00 0.00 C ATOM 0 H LEU A 20 -5.530 -27.538 3.159 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.308 -25.152 4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.240 -27.240 5.195 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.860 -26.006 6.273 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.610 -28.093 4.938 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.611 -29.250 7.112 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.983 -29.194 6.394 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.407 -28.091 7.725 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.234 -27.435 6.673 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.096 -26.203 7.265 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.788 -26.062 5.632 1.00 0.00 H new ATOM 331 N TRP A 21 -3.192 -25.259 3.351 1.00 0.00 N ATOM 332 CA TRP A 21 -2.014 -24.443 3.075 1.00 0.00 C ATOM 333 C TRP A 21 -2.351 -23.269 2.157 1.00 0.00 C ATOM 334 O TRP A 21 -2.023 -22.120 2.457 1.00 0.00 O ATOM 335 CB TRP A 21 -0.914 -25.298 2.441 1.00 0.00 C ATOM 336 CG TRP A 21 0.464 -24.762 2.673 1.00 0.00 C ATOM 337 CD1 TRP A 21 1.032 -23.675 2.072 1.00 0.00 C ATOM 338 CD2 TRP A 21 1.451 -25.289 3.566 1.00 0.00 C ATOM 339 NE1 TRP A 21 2.311 -23.492 2.540 1.00 0.00 N ATOM 340 CE2 TRP A 21 2.591 -24.470 3.458 1.00 0.00 C ATOM 341 CE3 TRP A 21 1.480 -26.373 4.448 1.00 0.00 C ATOM 342 CZ2 TRP A 21 3.747 -24.703 4.199 1.00 0.00 C ATOM 343 CZ3 TRP A 21 2.628 -26.602 5.182 1.00 0.00 C ATOM 344 CH2 TRP A 21 3.747 -25.770 5.054 1.00 0.00 C ATOM 0 H TRP A 21 -3.129 -26.218 3.009 1.00 0.00 H new ATOM 0 HA TRP A 21 -1.659 -24.042 4.024 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -0.974 -26.310 2.842 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -1.092 -25.369 1.368 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.547 -23.051 1.336 1.00 0.00 H new ATOM 0 HE1 TRP A 21 2.948 -22.749 2.251 1.00 0.00 H new ATOM 0 HE3 TRP A 21 0.621 -27.019 4.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 4.612 -24.064 4.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 2.663 -27.437 5.866 1.00 0.00 H new ATOM 0 HH2 TRP A 21 4.629 -25.975 5.643 1.00 0.00 H new ATOM 355 N VAL A 22 -2.999 -23.565 1.035 1.00 0.00 N ATOM 356 CA VAL A 22 -3.372 -22.533 0.071 1.00 0.00 C ATOM 357 C VAL A 22 -4.309 -21.500 0.691 1.00 0.00 C ATOM 358 O VAL A 22 -4.095 -20.295 0.555 1.00 0.00 O ATOM 359 CB VAL A 22 -4.055 -23.136 -1.171 1.00 0.00 C ATOM 360 CG1 VAL A 22 -3.073 -23.985 -1.963 1.00 0.00 C ATOM 361 CG2 VAL A 22 -5.269 -23.956 -0.770 1.00 0.00 C ATOM 0 H VAL A 22 -3.277 -24.510 0.770 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.444 -22.046 -0.230 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.391 -22.317 -1.808 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.574 -24.402 -2.836 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.236 -23.367 -2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.704 -24.796 -1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.737 -24.373 -1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.959 -24.766 -0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.983 -23.318 -0.250 1.00 0.00 H new ATOM 371 N ALA A 23 -5.348 -21.978 1.371 1.00 0.00 N ATOM 372 CA ALA A 23 -6.320 -21.095 2.008 1.00 0.00 C ATOM 373 C ALA A 23 -5.649 -20.186 3.032 1.00 0.00 C ATOM 374 O ALA A 23 -5.951 -18.996 3.111 1.00 0.00 O ATOM 375 CB ALA A 23 -7.428 -21.912 2.663 1.00 0.00 C ATOM 0 H ALA A 23 -5.538 -22.972 1.495 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.760 -20.463 1.237 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.146 -21.240 3.134 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.934 -22.511 1.906 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.997 -22.570 3.418 1.00 0.00 H new ATOM 381 N PHE A 24 -4.734 -20.752 3.814 1.00 0.00 N ATOM 382 CA PHE A 24 -4.020 -19.985 4.829 1.00 0.00 C ATOM 383 C PHE A 24 -3.151 -18.913 4.180 1.00 0.00 C ATOM 384 O PHE A 24 -3.105 -17.772 4.640 1.00 0.00 O ATOM 385 CB PHE A 24 -3.161 -20.909 5.695 1.00 0.00 C ATOM 386 CG PHE A 24 -3.298 -20.645 7.166 1.00 0.00 C ATOM 387 CD1 PHE A 24 -4.547 -20.472 7.740 1.00 0.00 C ATOM 388 CD2 PHE A 24 -2.176 -20.570 7.975 1.00 0.00 C ATOM 389 CE1 PHE A 24 -4.675 -20.228 9.094 1.00 0.00 C ATOM 390 CE2 PHE A 24 -2.297 -20.326 9.330 1.00 0.00 C ATOM 391 CZ PHE A 24 -3.548 -20.155 9.890 1.00 0.00 C ATOM 0 H PHE A 24 -4.470 -21.736 3.764 1.00 0.00 H new ATOM 0 HA PHE A 24 -4.756 -19.495 5.466 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.436 -21.944 5.492 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -2.115 -20.795 5.409 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.431 -20.529 7.122 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.196 -20.704 7.542 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.654 -20.095 9.529 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.415 -20.269 9.950 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.645 -19.964 10.949 1.00 0.00 H new ATOM 401 N GLN A 25 -2.468 -19.291 3.106 1.00 0.00 N ATOM 402 CA GLN A 25 -1.600 -18.366 2.386 1.00 0.00 C ATOM 403 C GLN A 25 -2.409 -17.237 1.759 1.00 0.00 C ATOM 404 O GLN A 25 -1.988 -16.080 1.764 1.00 0.00 O ATOM 405 CB GLN A 25 -0.816 -19.109 1.303 1.00 0.00 C ATOM 406 CG GLN A 25 0.403 -18.348 0.809 1.00 0.00 C ATOM 407 CD GLN A 25 1.416 -18.094 1.908 1.00 0.00 C ATOM 408 OE1 GLN A 25 1.779 -16.951 2.182 1.00 0.00 O ATOM 409 NE2 GLN A 25 1.877 -19.163 2.545 1.00 0.00 N ATOM 0 H GLN A 25 -2.498 -20.232 2.714 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.900 -17.933 3.100 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.498 -20.075 1.694 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.477 -19.309 0.459 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.878 -18.911 0.006 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.085 -17.395 0.386 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.548 -20.093 2.285 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.560 -19.055 3.295 1.00 0.00 H new ATOM 418 N MET A 26 -3.570 -17.580 1.214 1.00 0.00 N ATOM 419 CA MET A 26 -4.437 -16.598 0.579 1.00 0.00 C ATOM 420 C MET A 26 -4.972 -15.595 1.595 1.00 0.00 C ATOM 421 O MET A 26 -4.951 -14.389 1.359 1.00 0.00 O ATOM 422 CB MET A 26 -5.597 -17.305 -0.120 1.00 0.00 C ATOM 423 CG MET A 26 -6.526 -16.360 -0.864 1.00 0.00 C ATOM 424 SD MET A 26 -6.437 -16.556 -2.655 1.00 0.00 S ATOM 425 CE MET A 26 -8.174 -16.502 -3.093 1.00 0.00 C ATOM 0 H MET A 26 -3.932 -18.533 1.200 1.00 0.00 H new ATOM 0 HA MET A 26 -3.849 -16.050 -0.158 1.00 0.00 H new ATOM 0 HB2 MET A 26 -5.196 -18.035 -0.823 1.00 0.00 H new ATOM 0 HB3 MET A 26 -6.173 -17.859 0.621 1.00 0.00 H new ATOM 0 HG2 MET A 26 -7.551 -16.532 -0.535 1.00 0.00 H new ATOM 0 HG3 MET A 26 -6.276 -15.332 -0.603 1.00 0.00 H new ATOM 0 HE1 MET A 26 -8.281 -16.611 -4.172 1.00 0.00 H new ATOM 0 HE2 MET A 26 -8.701 -17.314 -2.593 1.00 0.00 H new ATOM 0 HE3 MET A 26 -8.598 -15.548 -2.781 1.00 0.00 H new ATOM 435 N MET A 27 -5.457 -16.097 2.725 1.00 0.00 N ATOM 436 CA MET A 27 -6.003 -15.236 3.770 1.00 0.00 C ATOM 437 C MET A 27 -4.915 -14.370 4.403 1.00 0.00 C ATOM 438 O MET A 27 -5.051 -13.149 4.482 1.00 0.00 O ATOM 439 CB MET A 27 -6.694 -16.081 4.843 1.00 0.00 C ATOM 440 CG MET A 27 -8.186 -15.811 4.954 1.00 0.00 C ATOM 441 SD MET A 27 -8.910 -16.506 6.452 1.00 0.00 S ATOM 442 CE MET A 27 -9.899 -15.127 7.026 1.00 0.00 C ATOM 0 H MET A 27 -5.484 -17.093 2.942 1.00 0.00 H new ATOM 0 HA MET A 27 -6.735 -14.573 3.309 1.00 0.00 H new ATOM 0 HB2 MET A 27 -6.539 -17.137 4.620 1.00 0.00 H new ATOM 0 HB3 MET A 27 -6.224 -15.886 5.807 1.00 0.00 H new ATOM 0 HG2 MET A 27 -8.358 -14.735 4.938 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.692 -16.228 4.083 1.00 0.00 H new ATOM 0 HE1 MET A 27 -10.410 -15.404 7.948 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.253 -14.269 7.213 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.637 -14.867 6.267 1.00 0.00 H new ATOM 452 N LYS A 28 -3.843 -15.008 4.859 1.00 0.00 N ATOM 453 CA LYS A 28 -2.738 -14.296 5.491 1.00 0.00 C ATOM 454 C LYS A 28 -2.015 -13.400 4.491 1.00 0.00 C ATOM 455 O LYS A 28 -1.903 -12.193 4.697 1.00 0.00 O ATOM 456 CB LYS A 28 -1.750 -15.289 6.109 1.00 0.00 C ATOM 457 CG LYS A 28 -0.649 -14.624 6.919 1.00 0.00 C ATOM 458 CD LYS A 28 0.168 -15.646 7.694 1.00 0.00 C ATOM 459 CE LYS A 28 1.625 -15.225 7.815 1.00 0.00 C ATOM 460 NZ LYS A 28 2.550 -16.391 7.748 1.00 0.00 N ATOM 0 H LYS A 28 -3.715 -16.018 4.803 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.153 -13.666 6.278 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.296 -15.980 6.751 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.298 -15.882 5.314 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.006 -14.063 6.253 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.088 -13.907 7.612 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.258 -15.774 8.689 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.109 -16.613 7.195 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.867 -14.524 7.017 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.773 -14.698 8.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.532 -16.060 7.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.337 -17.049 8.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.428 -16.879 6.838 1.00 0.00 H new ATOM 474 N GLY A 29 -1.526 -14.007 3.411 1.00 0.00 N ATOM 475 CA GLY A 29 -0.807 -13.267 2.387 1.00 0.00 C ATOM 476 C GLY A 29 -1.635 -12.168 1.745 1.00 0.00 C ATOM 477 O GLY A 29 -1.306 -10.988 1.862 1.00 0.00 O ATOM 0 H GLY A 29 -1.616 -15.006 3.227 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.088 -12.827 2.827 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.474 -13.960 1.614 1.00 0.00 H new ATOM 481 N ALA A 30 -2.700 -12.555 1.055 1.00 0.00 N ATOM 482 CA ALA A 30 -3.564 -11.592 0.383 1.00 0.00 C ATOM 483 C ALA A 30 -4.213 -10.634 1.375 1.00 0.00 C ATOM 484 O ALA A 30 -4.365 -9.445 1.096 1.00 0.00 O ATOM 485 CB ALA A 30 -4.626 -12.316 -0.430 1.00 0.00 C ATOM 0 H ALA A 30 -2.986 -13.528 0.946 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.944 -11.000 -0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.265 -11.586 -0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.145 -12.946 -1.178 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.231 -12.936 0.232 1.00 0.00 H new ATOM 491 N GLY A 31 -4.593 -11.158 2.535 1.00 0.00 N ATOM 492 CA GLY A 31 -5.220 -10.332 3.550 1.00 0.00 C ATOM 493 C GLY A 31 -4.315 -9.217 4.036 1.00 0.00 C ATOM 494 O GLY A 31 -4.692 -8.045 4.009 1.00 0.00 O ATOM 0 H GLY A 31 -4.478 -12.139 2.790 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.137 -9.901 3.147 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.506 -10.957 4.396 1.00 0.00 H new ATOM 498 N TRP A 32 -3.119 -9.580 4.492 1.00 0.00 N ATOM 499 CA TRP A 32 -2.163 -8.599 4.996 1.00 0.00 C ATOM 500 C TRP A 32 -1.750 -7.610 3.906 1.00 0.00 C ATOM 501 O TRP A 32 -1.804 -6.401 4.110 1.00 0.00 O ATOM 502 CB TRP A 32 -0.945 -9.309 5.599 1.00 0.00 C ATOM 503 CG TRP A 32 0.155 -9.624 4.620 1.00 0.00 C ATOM 504 CD1 TRP A 32 0.458 -10.848 4.098 1.00 0.00 C ATOM 505 CD2 TRP A 32 1.108 -8.708 4.067 1.00 0.00 C ATOM 506 NE1 TRP A 32 1.528 -10.748 3.242 1.00 0.00 N ATOM 507 CE2 TRP A 32 1.947 -9.445 3.207 1.00 0.00 C ATOM 508 CE3 TRP A 32 1.330 -7.337 4.209 1.00 0.00 C ATOM 509 CZ2 TRP A 32 2.989 -8.854 2.495 1.00 0.00 C ATOM 510 CZ3 TRP A 32 2.366 -6.752 3.504 1.00 0.00 C ATOM 511 CH2 TRP A 32 3.183 -7.510 2.655 1.00 0.00 C ATOM 0 H TRP A 32 -2.789 -10.545 4.523 1.00 0.00 H new ATOM 0 HA TRP A 32 -2.648 -8.021 5.783 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -0.536 -8.685 6.394 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -1.277 -10.239 6.062 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -0.068 -11.764 4.325 1.00 0.00 H new ATOM 0 HE1 TRP A 32 1.943 -11.519 2.718 1.00 0.00 H new ATOM 0 HE3 TRP A 32 0.703 -6.743 4.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 3.620 -9.436 1.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 2.548 -5.693 3.610 1.00 0.00 H new ATOM 0 HH2 TRP A 32 3.982 -7.023 2.116 1.00 0.00 H new ATOM 522 N ALA A 33 -1.346 -8.121 2.749 1.00 0.00 N ATOM 523 CA ALA A 33 -0.939 -7.262 1.645 1.00 0.00 C ATOM 524 C ALA A 33 -2.043 -6.274 1.293 1.00 0.00 C ATOM 525 O ALA A 33 -1.809 -5.071 1.212 1.00 0.00 O ATOM 526 CB ALA A 33 -0.573 -8.098 0.431 1.00 0.00 C ATOM 0 H ALA A 33 -1.292 -9.120 2.552 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.061 -6.697 1.959 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.271 -7.442 -0.385 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.251 -8.765 0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.436 -8.688 0.122 1.00 0.00 H new ATOM 532 N GLY A 34 -3.251 -6.791 1.098 1.00 0.00 N ATOM 533 CA GLY A 34 -4.372 -5.936 0.773 1.00 0.00 C ATOM 534 C GLY A 34 -4.680 -4.963 1.891 1.00 0.00 C ATOM 535 O GLY A 34 -5.025 -3.812 1.640 1.00 0.00 O ATOM 0 H GLY A 34 -3.471 -7.785 1.159 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.154 -5.383 -0.141 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.251 -6.549 0.573 1.00 0.00 H new ATOM 539 N GLY A 35 -4.546 -5.424 3.132 1.00 0.00 N ATOM 540 CA GLY A 35 -4.810 -4.561 4.268 1.00 0.00 C ATOM 541 C GLY A 35 -3.866 -3.375 4.324 1.00 0.00 C ATOM 542 O GLY A 35 -4.297 -2.227 4.426 1.00 0.00 O ATOM 0 H GLY A 35 -4.261 -6.374 3.369 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.838 -4.202 4.217 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.719 -5.138 5.188 1.00 0.00 H new ATOM 546 N VAL A 36 -2.569 -3.663 4.262 1.00 0.00 N ATOM 547 CA VAL A 36 -1.544 -2.630 4.310 1.00 0.00 C ATOM 548 C VAL A 36 -1.597 -1.728 3.080 1.00 0.00 C ATOM 549 O VAL A 36 -1.583 -0.504 3.198 1.00 0.00 O ATOM 550 CB VAL A 36 -0.140 -3.255 4.423 1.00 0.00 C ATOM 551 CG1 VAL A 36 0.912 -2.177 4.637 1.00 0.00 C ATOM 552 CG2 VAL A 36 -0.102 -4.272 5.554 1.00 0.00 C ATOM 0 H VAL A 36 -2.203 -4.611 4.178 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.743 -2.025 5.194 1.00 0.00 H new ATOM 0 HB VAL A 36 0.084 -3.769 3.488 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.896 -2.639 4.714 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.901 -1.485 3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.694 -1.633 5.556 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.896 -4.705 5.621 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.348 -3.779 6.495 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.827 -5.062 5.358 1.00 0.00 H new ATOM 562 N PHE A 37 -1.654 -2.338 1.903 1.00 0.00 N ATOM 563 CA PHE A 37 -1.706 -1.581 0.657 1.00 0.00 C ATOM 564 C PHE A 37 -2.952 -0.704 0.602 1.00 0.00 C ATOM 565 O PHE A 37 -2.871 0.482 0.288 1.00 0.00 O ATOM 566 CB PHE A 37 -1.679 -2.525 -0.547 1.00 0.00 C ATOM 567 CG PHE A 37 -0.296 -2.790 -1.075 1.00 0.00 C ATOM 568 CD1 PHE A 37 0.488 -1.751 -1.552 1.00 0.00 C ATOM 569 CD2 PHE A 37 0.219 -4.077 -1.096 1.00 0.00 C ATOM 570 CE1 PHE A 37 1.759 -1.992 -2.041 1.00 0.00 C ATOM 571 CE2 PHE A 37 1.489 -4.323 -1.585 1.00 0.00 C ATOM 572 CZ PHE A 37 2.259 -3.279 -2.057 1.00 0.00 C ATOM 0 H PHE A 37 -1.665 -3.351 1.784 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.828 -0.936 0.621 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.139 -3.472 -0.265 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.288 -2.100 -1.345 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.102 -0.742 -1.542 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.379 -4.897 -0.726 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.360 -1.174 -2.410 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.878 -5.330 -1.598 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.251 -3.469 -2.438 1.00 0.00 H new ATOM 582 N PHE A 38 -4.104 -1.292 0.907 1.00 0.00 N ATOM 583 CA PHE A 38 -5.364 -0.557 0.884 1.00 0.00 C ATOM 584 C PHE A 38 -5.384 0.540 1.947 1.00 0.00 C ATOM 585 O PHE A 38 -5.745 1.684 1.667 1.00 0.00 O ATOM 586 CB PHE A 38 -6.537 -1.514 1.103 1.00 0.00 C ATOM 587 CG PHE A 38 -7.823 -1.053 0.477 1.00 0.00 C ATOM 588 CD1 PHE A 38 -7.958 -1.014 -0.901 1.00 0.00 C ATOM 589 CD2 PHE A 38 -8.897 -0.663 1.264 1.00 0.00 C ATOM 590 CE1 PHE A 38 -9.137 -0.595 -1.485 1.00 0.00 C ATOM 591 CE2 PHE A 38 -10.081 -0.242 0.684 1.00 0.00 C ATOM 592 CZ PHE A 38 -10.200 -0.208 -0.692 1.00 0.00 C ATOM 0 H PHE A 38 -4.192 -2.273 1.172 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.460 -0.086 -0.094 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -6.277 -2.491 0.697 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.692 -1.645 2.174 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -7.131 -1.315 -1.527 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -8.808 -0.688 2.340 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -9.228 -0.570 -2.561 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -10.911 0.060 1.306 1.00 0.00 H new ATOM 0 HZ PHE A 38 -11.123 0.121 -1.147 1.00 0.00 H new ATOM 602 N GLY A 39 -4.999 0.182 3.168 1.00 0.00 N ATOM 603 CA GLY A 39 -4.985 1.147 4.253 1.00 0.00 C ATOM 604 C GLY A 39 -4.029 2.295 4.004 1.00 0.00 C ATOM 605 O GLY A 39 -4.423 3.460 4.041 1.00 0.00 O ATOM 0 H GLY A 39 -4.697 -0.758 3.426 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.991 1.542 4.395 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.707 0.643 5.178 1.00 0.00 H new ATOM 609 N THR A 40 -2.766 1.965 3.751 1.00 0.00 N ATOM 610 CA THR A 40 -1.747 2.979 3.496 1.00 0.00 C ATOM 611 C THR A 40 -2.164 3.898 2.351 1.00 0.00 C ATOM 612 O THR A 40 -1.974 5.110 2.419 1.00 0.00 O ATOM 613 CB THR A 40 -0.398 2.321 3.178 1.00 0.00 C ATOM 614 OG1 THR A 40 -0.036 1.388 4.186 1.00 0.00 O ATOM 615 CG2 THR A 40 0.738 3.318 3.055 1.00 0.00 C ATOM 0 H THR A 40 -2.424 1.005 3.717 1.00 0.00 H new ATOM 0 HA THR A 40 -1.641 3.580 4.399 1.00 0.00 H new ATOM 0 HB THR A 40 -0.541 1.827 2.217 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.460 0.524 4.000 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.664 2.789 2.830 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.518 4.023 2.253 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.850 3.860 3.994 1.00 0.00 H new ATOM 623 N LEU A 41 -2.735 3.320 1.299 1.00 0.00 N ATOM 624 CA LEU A 41 -3.174 4.105 0.151 1.00 0.00 C ATOM 625 C LEU A 41 -4.281 5.078 0.550 1.00 0.00 C ATOM 626 O LEU A 41 -4.355 6.195 0.037 1.00 0.00 O ATOM 627 CB LEU A 41 -3.663 3.189 -0.975 1.00 0.00 C ATOM 628 CG LEU A 41 -2.753 3.130 -2.204 1.00 0.00 C ATOM 629 CD1 LEU A 41 -2.480 4.530 -2.737 1.00 0.00 C ATOM 630 CD2 LEU A 41 -1.451 2.415 -1.870 1.00 0.00 C ATOM 0 H LEU A 41 -2.904 2.317 1.218 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.320 4.679 -0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.778 2.180 -0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.652 3.522 -1.290 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.263 2.564 -2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.831 4.467 -3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.421 5.002 -3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.992 5.124 -1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.816 2.382 -2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.935 2.951 -1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.668 1.399 -1.541 1.00 0.00 H new ATOM 642 N LEU A 42 -5.137 4.642 1.466 1.00 0.00 N ATOM 643 CA LEU A 42 -6.242 5.470 1.936 1.00 0.00 C ATOM 644 C LEU A 42 -5.735 6.637 2.781 1.00 0.00 C ATOM 645 O LEU A 42 -6.175 7.772 2.611 1.00 0.00 O ATOM 646 CB LEU A 42 -7.226 4.624 2.746 1.00 0.00 C ATOM 647 CG LEU A 42 -8.581 5.285 3.017 1.00 0.00 C ATOM 648 CD1 LEU A 42 -9.640 4.743 2.068 1.00 0.00 C ATOM 649 CD2 LEU A 42 -9.002 5.069 4.466 1.00 0.00 C ATOM 0 H LEU A 42 -5.088 3.720 1.899 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.753 5.879 1.064 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.396 3.686 2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.764 4.372 3.701 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.480 6.356 2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.596 5.224 2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.346 4.949 1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.738 3.667 2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.967 5.546 4.640 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.084 4.001 4.666 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.257 5.506 5.130 1.00 0.00 H new ATOM 661 N LEU A 43 -4.813 6.348 3.694 1.00 0.00 N ATOM 662 CA LEU A 43 -4.253 7.374 4.569 1.00 0.00 C ATOM 663 C LEU A 43 -3.384 8.351 3.785 1.00 0.00 C ATOM 664 O LEU A 43 -3.610 9.561 3.812 1.00 0.00 O ATOM 665 CB LEU A 43 -3.428 6.726 5.683 1.00 0.00 C ATOM 666 CG LEU A 43 -4.037 6.821 7.085 1.00 0.00 C ATOM 667 CD1 LEU A 43 -4.401 5.440 7.606 1.00 0.00 C ATOM 668 CD2 LEU A 43 -3.073 7.515 8.040 1.00 0.00 C ATOM 0 H LEU A 43 -4.437 5.412 3.848 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.082 7.928 5.009 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.280 5.674 5.439 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.442 7.191 5.700 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.949 7.415 7.023 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.832 5.529 8.603 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.127 4.978 6.937 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.505 4.821 7.652 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.522 7.574 9.031 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.144 6.947 8.096 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.862 8.521 7.677 1.00 0.00 H new ATOM 680 N ILE A 44 -2.388 7.819 3.088 1.00 0.00 N ATOM 681 CA ILE A 44 -1.488 8.648 2.301 1.00 0.00 C ATOM 682 C ILE A 44 -2.248 9.350 1.184 1.00 0.00 C ATOM 683 O ILE A 44 -2.068 10.542 0.953 1.00 0.00 O ATOM 684 CB ILE A 44 -0.334 7.819 1.697 1.00 0.00 C ATOM 685 CG1 ILE A 44 0.356 6.989 2.784 1.00 0.00 C ATOM 686 CG2 ILE A 44 0.670 8.729 1.007 1.00 0.00 C ATOM 687 CD1 ILE A 44 0.820 7.802 3.973 1.00 0.00 C ATOM 0 H ILE A 44 -2.184 6.820 3.052 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.061 9.392 2.974 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.751 7.138 0.955 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.332 6.217 3.130 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.215 6.479 2.348 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.477 8.128 0.587 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.173 9.279 0.208 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.081 9.433 1.731 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.298 7.145 4.699 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.533 8.557 3.642 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.037 8.291 4.436 1.00 0.00 H new ATOM 699 N GLY A 45 -3.108 8.604 0.499 1.00 0.00 N ATOM 700 CA GLY A 45 -3.886 9.179 -0.580 1.00 0.00 C ATOM 701 C GLY A 45 -4.803 10.290 -0.106 1.00 0.00 C ATOM 702 O GLY A 45 -4.904 11.330 -0.751 1.00 0.00 O ATOM 0 H GLY A 45 -3.279 7.613 0.672 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.212 9.569 -1.342 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.481 8.397 -1.051 1.00 0.00 H new ATOM 706 N PHE A 46 -5.472 10.068 1.023 1.00 0.00 N ATOM 707 CA PHE A 46 -6.388 11.061 1.577 1.00 0.00 C ATOM 708 C PHE A 46 -5.644 12.333 1.971 1.00 0.00 C ATOM 709 O PHE A 46 -6.039 13.435 1.595 1.00 0.00 O ATOM 710 CB PHE A 46 -7.119 10.488 2.794 1.00 0.00 C ATOM 711 CG PHE A 46 -8.304 11.302 3.230 1.00 0.00 C ATOM 712 CD1 PHE A 46 -9.471 11.301 2.482 1.00 0.00 C ATOM 713 CD2 PHE A 46 -8.255 12.063 4.388 1.00 0.00 C ATOM 714 CE1 PHE A 46 -10.564 12.046 2.879 1.00 0.00 C ATOM 715 CE2 PHE A 46 -9.347 12.810 4.789 1.00 0.00 C ATOM 716 CZ PHE A 46 -10.503 12.801 4.033 1.00 0.00 C ATOM 0 H PHE A 46 -5.397 9.211 1.571 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.117 11.313 0.807 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -7.451 9.476 2.563 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -6.417 10.412 3.625 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -9.526 10.711 1.579 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -7.354 12.072 4.983 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -11.467 12.038 2.286 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -9.296 13.400 5.692 1.00 0.00 H new ATOM 0 HZ PHE A 46 -11.358 13.384 4.344 1.00 0.00 H new ATOM 726 N PHE A 47 -4.564 12.175 2.725 1.00 0.00 N ATOM 727 CA PHE A 47 -3.769 13.317 3.165 1.00 0.00 C ATOM 728 C PHE A 47 -3.137 14.026 1.968 1.00 0.00 C ATOM 729 O PHE A 47 -2.878 15.227 2.007 1.00 0.00 O ATOM 730 CB PHE A 47 -2.687 12.861 4.150 1.00 0.00 C ATOM 731 CG PHE A 47 -2.848 13.441 5.529 1.00 0.00 C ATOM 732 CD1 PHE A 47 -3.104 14.792 5.700 1.00 0.00 C ATOM 733 CD2 PHE A 47 -2.738 12.636 6.652 1.00 0.00 C ATOM 734 CE1 PHE A 47 -3.255 15.329 6.965 1.00 0.00 C ATOM 735 CE2 PHE A 47 -2.888 13.168 7.919 1.00 0.00 C ATOM 736 CZ PHE A 47 -3.143 14.517 8.076 1.00 0.00 C ATOM 0 H PHE A 47 -4.218 11.270 3.045 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.427 14.023 3.671 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.704 11.773 4.218 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -1.709 13.141 3.759 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.187 15.433 4.835 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.533 11.582 6.536 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -3.460 16.383 7.084 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.806 12.529 8.786 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.254 14.935 9.065 1.00 0.00 H new ATOM 746 N ARG A 48 -2.896 13.271 0.905 1.00 0.00 N ATOM 747 CA ARG A 48 -2.304 13.817 -0.308 1.00 0.00 C ATOM 748 C ARG A 48 -3.286 14.735 -1.023 1.00 0.00 C ATOM 749 O ARG A 48 -3.014 15.918 -1.228 1.00 0.00 O ATOM 750 CB ARG A 48 -1.879 12.685 -1.243 1.00 0.00 C ATOM 751 CG ARG A 48 -0.499 12.132 -0.936 1.00 0.00 C ATOM 752 CD ARG A 48 0.227 11.712 -2.202 1.00 0.00 C ATOM 753 NE ARG A 48 1.469 12.458 -2.388 1.00 0.00 N ATOM 754 CZ ARG A 48 2.682 11.907 -2.387 1.00 0.00 C ATOM 755 NH1 ARG A 48 2.833 10.598 -2.224 1.00 0.00 N ATOM 756 NH2 ARG A 48 3.752 12.673 -2.550 1.00 0.00 N ATOM 0 H ARG A 48 -3.103 12.273 0.859 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.426 14.399 -0.026 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.608 11.877 -1.178 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.896 13.048 -2.271 1.00 0.00 H new ATOM 0 HG2 ARG A 48 0.088 12.886 -0.412 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -0.589 11.277 -0.266 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.447 10.645 -2.158 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -0.423 11.868 -3.063 1.00 0.00 H new ATOM 0 HE ARG A 48 1.403 13.466 -2.528 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.015 10.002 -2.098 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.767 10.188 -2.225 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.644 13.680 -2.675 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.683 12.256 -2.550 1.00 0.00 H new ATOM 770 N VAL A 49 -4.432 14.177 -1.402 1.00 0.00 N ATOM 771 CA VAL A 49 -5.461 14.940 -2.098 1.00 0.00 C ATOM 772 C VAL A 49 -6.210 15.863 -1.139 1.00 0.00 C ATOM 773 O VAL A 49 -6.307 17.068 -1.372 1.00 0.00 O ATOM 774 CB VAL A 49 -6.467 14.010 -2.820 1.00 0.00 C ATOM 775 CG1 VAL A 49 -7.179 13.093 -1.837 1.00 0.00 C ATOM 776 CG2 VAL A 49 -7.479 14.819 -3.616 1.00 0.00 C ATOM 0 H VAL A 49 -4.671 13.199 -1.238 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.953 15.548 -2.846 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.899 13.388 -3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.878 12.454 -2.376 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.446 12.474 -1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.725 13.693 -1.109 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.174 14.143 -4.114 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.030 15.476 -2.943 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.959 15.419 -4.363 1.00 0.00 H new ATOM 786 N VAL A 50 -6.745 15.291 -0.065 1.00 0.00 N ATOM 787 CA VAL A 50 -7.492 16.059 0.924 1.00 0.00 C ATOM 788 C VAL A 50 -6.581 16.914 1.791 1.00 0.00 C ATOM 789 O VAL A 50 -6.841 18.100 1.997 1.00 0.00 O ATOM 790 CB VAL A 50 -8.341 15.146 1.822 1.00 0.00 C ATOM 791 CG1 VAL A 50 -9.245 15.968 2.727 1.00 0.00 C ATOM 792 CG2 VAL A 50 -9.155 14.185 0.971 1.00 0.00 C ATOM 0 H VAL A 50 -6.674 14.295 0.143 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.152 16.719 0.361 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.673 14.565 2.457 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.837 15.301 3.354 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.636 16.615 3.359 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.911 16.579 2.118 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.753 13.543 1.618 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.814 14.751 0.312 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.483 13.571 0.371 1.00 0.00 H new ATOM 802 N GLY A 51 -5.511 16.314 2.298 1.00 0.00 N ATOM 803 CA GLY A 51 -4.588 17.052 3.138 1.00 0.00 C ATOM 804 C GLY A 51 -3.974 18.242 2.421 1.00 0.00 C ATOM 805 O GLY A 51 -3.260 19.038 3.032 1.00 0.00 O ATOM 0 H GLY A 51 -5.267 15.336 2.144 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.111 17.399 4.029 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.794 16.385 3.474 1.00 0.00 H new ATOM 809 N ARG A 52 -4.248 18.364 1.123 1.00 0.00 N ATOM 810 CA ARG A 52 -3.718 19.462 0.321 1.00 0.00 C ATOM 811 C ARG A 52 -2.241 19.243 0.029 1.00 0.00 C ATOM 812 O ARG A 52 -1.432 20.169 0.095 1.00 0.00 O ATOM 813 CB ARG A 52 -3.940 20.810 1.024 1.00 0.00 C ATOM 814 CG ARG A 52 -4.748 21.800 0.195 1.00 0.00 C ATOM 815 CD ARG A 52 -5.719 22.595 1.055 1.00 0.00 C ATOM 816 NE ARG A 52 -5.032 23.560 1.910 1.00 0.00 N ATOM 817 CZ ARG A 52 -5.646 24.540 2.570 1.00 0.00 C ATOM 818 NH1 ARG A 52 -6.960 24.705 2.464 1.00 0.00 N ATOM 819 NH2 ARG A 52 -4.942 25.357 3.339 1.00 0.00 N ATOM 0 H ARG A 52 -4.837 17.712 0.604 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.256 19.484 -0.627 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.452 20.637 1.971 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.972 21.251 1.261 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.071 22.484 -0.316 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.301 21.263 -0.576 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.426 23.120 0.412 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.298 21.910 1.674 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.020 23.478 2.007 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.507 24.078 1.873 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.422 25.458 2.973 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.933 25.234 3.424 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.409 26.109 3.846 1.00 0.00 H new ATOM 833 N MET A 53 -1.905 18.000 -0.303 1.00 0.00 N ATOM 834 CA MET A 53 -0.527 17.624 -0.624 1.00 0.00 C ATOM 835 C MET A 53 0.464 18.184 0.396 1.00 0.00 C ATOM 836 O MET A 53 1.621 18.449 0.067 1.00 0.00 O ATOM 837 CB MET A 53 -0.160 18.105 -2.033 1.00 0.00 C ATOM 838 CG MET A 53 -0.084 19.619 -2.171 1.00 0.00 C ATOM 839 SD MET A 53 0.632 20.133 -3.745 1.00 0.00 S ATOM 840 CE MET A 53 -0.029 21.791 -3.896 1.00 0.00 C ATOM 0 H MET A 53 -2.571 17.230 -0.358 1.00 0.00 H new ATOM 0 HA MET A 53 -0.465 16.536 -0.587 1.00 0.00 H new ATOM 0 HB2 MET A 53 0.802 17.676 -2.313 1.00 0.00 H new ATOM 0 HB3 MET A 53 -0.897 17.723 -2.740 1.00 0.00 H new ATOM 0 HG2 MET A 53 -1.085 20.040 -2.076 1.00 0.00 H new ATOM 0 HG3 MET A 53 0.512 20.026 -1.354 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.326 22.241 -4.823 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.118 21.749 -3.907 1.00 0.00 H new ATOM 0 HE3 MET A 53 0.302 22.393 -3.050 1.00 0.00 H new ATOM 850 N LEU A 54 0.007 18.364 1.633 1.00 0.00 N ATOM 851 CA LEU A 54 0.859 18.897 2.696 1.00 0.00 C ATOM 852 C LEU A 54 2.168 18.113 2.816 1.00 0.00 C ATOM 853 O LEU A 54 3.248 18.699 2.848 1.00 0.00 O ATOM 854 CB LEU A 54 0.109 18.885 4.034 1.00 0.00 C ATOM 855 CG LEU A 54 0.725 19.737 5.149 1.00 0.00 C ATOM 856 CD1 LEU A 54 2.028 19.124 5.638 1.00 0.00 C ATOM 857 CD2 LEU A 54 0.947 21.166 4.677 1.00 0.00 C ATOM 0 H LEU A 54 -0.947 18.149 1.925 1.00 0.00 H new ATOM 0 HA LEU A 54 1.110 19.925 2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.911 19.228 3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.043 17.855 4.383 1.00 0.00 H new ATOM 0 HG LEU A 54 0.025 19.760 5.984 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.448 19.745 6.429 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.837 18.123 6.025 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.735 19.064 4.810 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.385 21.752 5.485 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.622 21.166 3.821 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.007 21.605 4.386 1.00 0.00 H new ATOM 869 N PRO A 55 2.090 16.771 2.889 1.00 0.00 N ATOM 870 CA PRO A 55 3.276 15.915 3.010 1.00 0.00 C ATOM 871 C PRO A 55 4.387 16.294 2.032 1.00 0.00 C ATOM 872 O PRO A 55 4.269 16.076 0.827 1.00 0.00 O ATOM 873 CB PRO A 55 2.730 14.525 2.686 1.00 0.00 C ATOM 874 CG PRO A 55 1.309 14.573 3.124 1.00 0.00 C ATOM 875 CD PRO A 55 0.842 15.980 2.861 1.00 0.00 C ATOM 0 HA PRO A 55 3.737 15.997 3.994 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.810 14.305 1.621 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.282 13.748 3.215 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.706 13.852 2.572 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.218 14.322 4.181 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.337 16.062 1.898 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.137 16.317 3.621 1.00 0.00 H new ATOM 883 N ILE A 56 5.470 16.855 2.564 1.00 0.00 N ATOM 884 CA ILE A 56 6.610 17.259 1.746 1.00 0.00 C ATOM 885 C ILE A 56 6.248 18.408 0.809 1.00 0.00 C ATOM 886 O ILE A 56 5.073 18.664 0.550 1.00 0.00 O ATOM 887 CB ILE A 56 7.146 16.082 0.906 1.00 0.00 C ATOM 888 CG1 ILE A 56 7.335 14.844 1.781 1.00 0.00 C ATOM 889 CG2 ILE A 56 8.457 16.464 0.232 1.00 0.00 C ATOM 890 CD1 ILE A 56 8.369 15.029 2.870 1.00 0.00 C ATOM 0 H ILE A 56 5.582 17.040 3.561 1.00 0.00 H new ATOM 0 HA ILE A 56 7.385 17.591 2.437 1.00 0.00 H new ATOM 0 HB ILE A 56 6.415 15.848 0.132 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.381 14.582 2.237 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.628 14.004 1.151 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.822 15.623 -0.357 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.294 17.321 -0.422 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.195 16.722 0.992 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.452 14.112 3.453 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.334 15.261 2.420 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.067 15.848 3.523 1.00 0.00 H new ATOM 902 N GLN A 57 7.273 19.098 0.304 1.00 0.00 N ATOM 903 CA GLN A 57 7.086 20.225 -0.612 1.00 0.00 C ATOM 904 C GLN A 57 6.728 21.502 0.143 1.00 0.00 C ATOM 905 O GLN A 57 7.189 22.590 -0.206 1.00 0.00 O ATOM 906 CB GLN A 57 6.013 19.913 -1.657 1.00 0.00 C ATOM 907 CG GLN A 57 6.196 20.680 -2.958 1.00 0.00 C ATOM 908 CD GLN A 57 7.321 20.127 -3.812 1.00 0.00 C ATOM 909 OE1 GLN A 57 8.429 20.664 -3.824 1.00 0.00 O ATOM 910 NE2 GLN A 57 7.041 19.050 -4.536 1.00 0.00 N ATOM 0 H GLN A 57 8.249 18.893 0.517 1.00 0.00 H new ATOM 0 HA GLN A 57 8.034 20.386 -1.125 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.023 18.844 -1.870 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.033 20.146 -1.241 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.266 20.650 -3.526 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.398 21.727 -2.732 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.109 18.637 -4.496 1.00 0.00 H new ATOM 0 HE22 GLN A 57 7.758 18.636 -5.132 1.00 0.00 H new ATOM 919 N GLU A 58 5.900 21.369 1.176 1.00 0.00 N ATOM 920 CA GLU A 58 5.481 22.516 1.971 1.00 0.00 C ATOM 921 C GLU A 58 6.641 23.076 2.792 1.00 0.00 C ATOM 922 O GLU A 58 6.919 24.274 2.745 1.00 0.00 O ATOM 923 CB GLU A 58 4.326 22.124 2.895 1.00 0.00 C ATOM 924 CG GLU A 58 3.079 22.969 2.691 1.00 0.00 C ATOM 925 CD GLU A 58 3.360 24.456 2.791 1.00 0.00 C ATOM 926 OE1 GLU A 58 4.278 24.837 3.544 1.00 0.00 O ATOM 927 OE2 GLU A 58 2.659 25.236 2.113 1.00 0.00 O ATOM 0 H GLU A 58 5.507 20.478 1.481 1.00 0.00 H new ATOM 0 HA GLU A 58 5.145 23.294 1.286 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.077 21.076 2.729 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.652 22.214 3.931 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.651 22.749 1.713 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.332 22.693 3.435 1.00 0.00 H new ATOM 934 N ASN A 59 7.309 22.206 3.549 1.00 0.00 N ATOM 935 CA ASN A 59 8.435 22.617 4.387 1.00 0.00 C ATOM 936 C ASN A 59 7.991 23.572 5.499 1.00 0.00 C ATOM 937 O ASN A 59 8.823 24.143 6.202 1.00 0.00 O ATOM 938 CB ASN A 59 9.522 23.284 3.536 1.00 0.00 C ATOM 939 CG ASN A 59 10.365 22.280 2.775 1.00 0.00 C ATOM 940 OD1 ASN A 59 10.037 21.094 2.715 1.00 0.00 O ATOM 941 ND2 ASN A 59 11.461 22.751 2.190 1.00 0.00 N ATOM 0 H ASN A 59 7.090 21.211 3.599 1.00 0.00 H new ATOM 0 HA ASN A 59 8.840 21.718 4.852 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.055 23.970 2.830 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.168 23.881 4.180 1.00 0.00 H new ATOM 0 HD21 ASN A 59 12.069 22.122 1.665 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.694 23.741 2.266 1.00 0.00 H new ATOM 948 N GLN A 60 6.679 23.738 5.658 1.00 0.00 N ATOM 949 CA GLN A 60 6.141 24.620 6.688 1.00 0.00 C ATOM 950 C GLN A 60 6.716 26.030 6.561 1.00 0.00 C ATOM 951 O GLN A 60 6.757 26.782 7.535 1.00 0.00 O ATOM 952 CB GLN A 60 6.443 24.051 8.076 1.00 0.00 C ATOM 953 CG GLN A 60 5.208 23.569 8.819 1.00 0.00 C ATOM 954 CD GLN A 60 4.213 24.682 9.080 1.00 0.00 C ATOM 955 OE1 GLN A 60 3.034 24.572 8.739 1.00 0.00 O ATOM 956 NE2 GLN A 60 4.683 25.763 9.691 1.00 0.00 N ATOM 0 H GLN A 60 5.972 23.274 5.088 1.00 0.00 H new ATOM 0 HA GLN A 60 5.061 24.681 6.553 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.143 23.221 7.975 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.940 24.816 8.673 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.724 22.783 8.240 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.509 23.126 9.768 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.667 25.812 9.956 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.060 26.545 9.896 1.00 0.00 H new ATOM 965 N ALA A 61 7.160 26.381 5.357 1.00 0.00 N ATOM 966 CA ALA A 61 7.733 27.699 5.104 1.00 0.00 C ATOM 967 C ALA A 61 9.033 27.898 5.884 1.00 0.00 C ATOM 968 O ALA A 61 9.315 27.170 6.835 1.00 0.00 O ATOM 969 CB ALA A 61 6.731 28.791 5.458 1.00 0.00 C ATOM 0 H ALA A 61 7.134 25.770 4.541 1.00 0.00 H new ATOM 0 HA ALA A 61 7.965 27.764 4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.174 29.768 5.264 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.834 28.672 4.851 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.468 28.715 6.513 1.00 0.00 H new ATOM 975 N PRO A 62 9.842 28.893 5.482 1.00 0.00 N ATOM 976 CA PRO A 62 11.120 29.200 6.139 1.00 0.00 C ATOM 977 C PRO A 62 10.963 29.448 7.637 1.00 0.00 C ATOM 978 O PRO A 62 11.922 29.308 8.393 1.00 0.00 O ATOM 979 CB PRO A 62 11.588 30.479 5.437 1.00 0.00 C ATOM 980 CG PRO A 62 10.893 30.471 4.119 1.00 0.00 C ATOM 981 CD PRO A 62 9.570 29.794 4.351 1.00 0.00 C ATOM 0 HA PRO A 62 11.822 28.370 6.059 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.327 31.365 6.016 1.00 0.00 H new ATOM 0 HB3 PRO A 62 12.671 30.487 5.312 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.752 31.486 3.746 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.479 29.936 3.372 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.787 30.514 4.590 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.240 29.244 3.470 1.00 0.00 H new ATOM 989 N ALA A 63 9.742 29.821 8.040 1.00 0.00 N ATOM 990 CA ALA A 63 9.389 30.114 9.440 1.00 0.00 C ATOM 991 C ALA A 63 9.410 31.620 9.720 1.00 0.00 C ATOM 992 O ALA A 63 8.353 32.213 9.937 1.00 0.00 O ATOM 993 CB ALA A 63 10.255 29.355 10.445 1.00 0.00 C ATOM 0 H ALA A 63 8.959 29.930 7.396 1.00 0.00 H new ATOM 0 HA ALA A 63 8.369 29.756 9.577 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.947 29.613 11.458 1.00 0.00 H new ATOM 0 HB2 ALA A 63 10.136 28.283 10.291 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.301 29.628 10.303 1.00 0.00 H new ATOM 999 N PRO A 64 10.589 32.282 9.719 1.00 0.00 N ATOM 1000 CA PRO A 64 10.673 33.726 9.976 1.00 0.00 C ATOM 1001 C PRO A 64 10.100 34.552 8.822 1.00 0.00 C ATOM 1002 O PRO A 64 10.778 35.417 8.268 1.00 0.00 O ATOM 1003 CB PRO A 64 12.180 33.993 10.130 1.00 0.00 C ATOM 1004 CG PRO A 64 12.816 32.648 10.233 1.00 0.00 C ATOM 1005 CD PRO A 64 11.921 31.711 9.477 1.00 0.00 C ATOM 0 HA PRO A 64 10.093 34.011 10.853 1.00 0.00 H new ATOM 0 HB2 PRO A 64 12.570 34.547 9.276 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.383 34.592 11.018 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.820 32.657 9.808 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.913 32.341 11.274 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.165 31.685 8.415 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.998 30.689 9.847 1.00 0.00 H new ATOM 1013 N ASN A 65 8.848 34.275 8.469 1.00 0.00 N ATOM 1014 CA ASN A 65 8.175 34.983 7.387 1.00 0.00 C ATOM 1015 C ASN A 65 7.531 36.266 7.895 1.00 0.00 C ATOM 1016 O ASN A 65 7.414 37.246 7.160 1.00 0.00 O ATOM 1017 CB ASN A 65 7.111 34.088 6.751 1.00 0.00 C ATOM 1018 CG ASN A 65 7.606 33.434 5.480 1.00 0.00 C ATOM 1019 OD1 ASN A 65 8.580 32.546 5.616 1.00 0.00 O flip ATOM 1020 ND2 ASN A 65 7.118 33.723 4.388 1.00 0.00 N flip ATOM 0 H ASN A 65 8.277 33.560 8.920 1.00 0.00 H new ATOM 0 HA ASN A 65 8.922 35.243 6.637 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.813 33.318 7.462 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.223 34.681 6.532 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.369 34.413 4.331 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.462 33.273 3.540 1.00 0.00 H new ATOM 1027 N ILE A 66 7.108 36.241 9.155 1.00 0.00 N ATOM 1028 CA ILE A 66 6.464 37.390 9.784 1.00 0.00 C ATOM 1029 C ILE A 66 4.991 37.460 9.399 1.00 0.00 C ATOM 1030 O ILE A 66 4.616 37.126 8.275 1.00 0.00 O ATOM 1031 CB ILE A 66 7.152 38.726 9.415 1.00 0.00 C ATOM 1032 CG1 ILE A 66 8.673 38.605 9.541 1.00 0.00 C ATOM 1033 CG2 ILE A 66 6.638 39.846 10.307 1.00 0.00 C ATOM 1034 CD1 ILE A 66 9.423 39.749 8.894 1.00 0.00 C ATOM 0 H ILE A 66 7.201 35.429 9.766 1.00 0.00 H new ATOM 0 HA ILE A 66 6.558 37.247 10.861 1.00 0.00 H new ATOM 0 HB ILE A 66 6.911 38.962 8.378 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.940 38.556 10.597 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.994 37.667 9.088 1.00 0.00 H new ATOM 0 HG21 ILE A 66 7.130 40.781 10.037 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.561 39.951 10.175 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.854 39.610 11.349 1.00 0.00 H new ATOM 0 HD11 ILE A 66 10.495 39.599 9.021 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.185 39.785 7.831 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.130 40.688 9.364 1.00 0.00 H new ATOM 1046 N THR A 67 4.161 37.888 10.343 1.00 0.00 N ATOM 1047 CA THR A 67 2.726 37.997 10.108 1.00 0.00 C ATOM 1048 C THR A 67 2.434 38.974 8.974 1.00 0.00 C ATOM 1049 O THR A 67 1.519 38.762 8.180 1.00 0.00 O ATOM 1050 CB THR A 67 2.007 38.447 11.383 1.00 0.00 C ATOM 1051 OG1 THR A 67 0.661 38.792 11.104 1.00 0.00 O ATOM 1052 CG2 THR A 67 2.655 39.640 12.053 1.00 0.00 C ATOM 0 H THR A 67 4.457 38.165 11.279 1.00 0.00 H new ATOM 0 HA THR A 67 2.356 37.013 9.822 1.00 0.00 H new ATOM 0 HB THR A 67 2.067 37.595 12.061 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.218 39.075 11.931 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.093 39.904 12.949 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.680 39.391 12.328 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.659 40.486 11.365 1.00 0.00 H new ATOM 1060 N GLY A 68 3.219 40.044 8.904 1.00 0.00 N ATOM 1061 CA GLY A 68 3.025 41.036 7.865 1.00 0.00 C ATOM 1062 C GLY A 68 4.115 42.090 7.858 1.00 0.00 C ATOM 1063 O GLY A 68 5.141 41.932 8.519 1.00 0.00 O ATOM 0 H GLY A 68 3.985 40.241 9.548 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.997 40.540 6.895 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.058 41.519 8.004 1.00 0.00 H new ATOM 1067 N ALA A 69 3.888 43.163 7.097 1.00 0.00 N ATOM 1068 CA ALA A 69 4.840 44.271 6.979 1.00 0.00 C ATOM 1069 C ALA A 69 5.885 43.978 5.908 1.00 0.00 C ATOM 1070 O ALA A 69 6.010 44.717 4.931 1.00 0.00 O ATOM 1071 CB ALA A 69 5.510 44.598 8.314 1.00 0.00 C ATOM 0 H ALA A 69 3.039 43.289 6.545 1.00 0.00 H new ATOM 0 HA ALA A 69 4.272 45.151 6.678 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.207 45.425 8.178 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.750 44.880 9.043 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.051 43.723 8.674 1.00 0.00 H new ATOM 1077 N LEU A 70 6.635 42.895 6.103 1.00 0.00 N ATOM 1078 CA LEU A 70 7.676 42.494 5.159 1.00 0.00 C ATOM 1079 C LEU A 70 8.821 43.502 5.158 1.00 0.00 C ATOM 1080 O LEU A 70 8.717 44.567 4.554 1.00 0.00 O ATOM 1081 CB LEU A 70 7.100 42.344 3.747 1.00 0.00 C ATOM 1082 CG LEU A 70 6.660 40.926 3.373 1.00 0.00 C ATOM 1083 CD1 LEU A 70 7.858 39.989 3.328 1.00 0.00 C ATOM 1084 CD2 LEU A 70 5.615 40.414 4.355 1.00 0.00 C ATOM 0 H LEU A 70 6.540 42.278 6.909 1.00 0.00 H new ATOM 0 HA LEU A 70 8.066 41.527 5.478 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.244 43.012 3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.849 42.677 3.028 1.00 0.00 H new ATOM 0 HG LEU A 70 6.211 40.956 2.380 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.526 38.986 3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.571 40.345 2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.337 39.964 4.307 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.314 39.405 4.073 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.036 40.400 5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.745 41.070 4.336 1.00 0.00 H new ATOM 1096 N GLU A 71 9.905 43.153 5.852 1.00 0.00 N ATOM 1097 CA GLU A 71 11.086 44.012 5.955 1.00 0.00 C ATOM 1098 C GLU A 71 10.900 45.057 7.048 1.00 0.00 C ATOM 1099 O GLU A 71 9.839 45.143 7.668 1.00 0.00 O ATOM 1100 CB GLU A 71 11.414 44.697 4.619 1.00 0.00 C ATOM 1101 CG GLU A 71 11.860 43.733 3.532 1.00 0.00 C ATOM 1102 CD GLU A 71 13.370 43.646 3.417 1.00 0.00 C ATOM 1103 OE1 GLU A 71 13.998 44.667 3.067 1.00 0.00 O ATOM 1104 OE2 GLU A 71 13.924 42.558 3.679 1.00 0.00 O ATOM 0 H GLU A 71 9.989 42.271 6.357 1.00 0.00 H new ATOM 0 HA GLU A 71 11.928 43.371 6.217 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.534 45.239 4.273 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.199 45.435 4.782 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.457 42.742 3.742 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.444 44.051 2.576 1.00 0.00 H new ATOM 1111 N HIS A 72 11.940 45.848 7.276 1.00 0.00 N ATOM 1112 CA HIS A 72 11.903 46.893 8.293 1.00 0.00 C ATOM 1113 C HIS A 72 11.936 48.275 7.646 1.00 0.00 C ATOM 1114 O HIS A 72 12.319 48.415 6.485 1.00 0.00 O ATOM 1115 CB HIS A 72 13.088 46.732 9.250 1.00 0.00 C ATOM 1116 CG HIS A 72 12.684 46.520 10.675 1.00 0.00 C ATOM 1117 ND1 HIS A 72 12.577 47.548 11.588 1.00 0.00 N ATOM 1118 CD2 HIS A 72 12.363 45.389 11.346 1.00 0.00 C ATOM 1119 CE1 HIS A 72 12.210 47.057 12.759 1.00 0.00 C ATOM 1120 NE2 HIS A 72 12.073 45.750 12.637 1.00 0.00 N ATOM 0 H HIS A 72 12.823 45.786 6.769 1.00 0.00 H new ATOM 0 HA HIS A 72 10.974 46.798 8.855 1.00 0.00 H new ATOM 0 HB2 HIS A 72 13.695 45.887 8.924 1.00 0.00 H new ATOM 0 HB3 HIS A 72 13.717 47.620 9.188 1.00 0.00 H new ATOM 0 HD2 HIS A 72 12.340 44.388 10.940 1.00 0.00 H new ATOM 0 HE1 HIS A 72 12.050 47.628 13.662 1.00 0.00 H new ATOM 0 HE2 HIS A 72 11.796 45.111 13.383 1.00 0.00 H new ATOM 1129 N HIS A 73 11.533 49.291 8.403 1.00 0.00 N ATOM 1130 CA HIS A 73 11.523 50.660 7.894 1.00 0.00 C ATOM 1131 C HIS A 73 12.938 51.130 7.564 1.00 0.00 C ATOM 1132 O HIS A 73 13.313 51.223 6.395 1.00 0.00 O ATOM 1133 CB HIS A 73 10.882 51.609 8.912 1.00 0.00 C ATOM 1134 CG HIS A 73 9.596 51.102 9.485 1.00 0.00 C ATOM 1135 ND1 HIS A 73 8.822 50.049 9.132 1.00 0.00 N flip ATOM 1136 CD2 HIS A 73 8.963 51.700 10.555 1.00 0.00 C flip ATOM 1137 CE1 HIS A 73 7.749 50.029 9.988 1.00 0.00 C flip ATOM 1138 NE2 HIS A 73 7.856 51.035 10.836 1.00 0.00 N flip ATOM 0 H HIS A 73 11.211 49.194 9.366 1.00 0.00 H new ATOM 0 HA HIS A 73 10.931 50.672 6.979 1.00 0.00 H new ATOM 0 HB2 HIS A 73 11.587 51.784 9.725 1.00 0.00 H new ATOM 0 HB3 HIS A 73 10.701 52.572 8.434 1.00 0.00 H new ATOM 0 HD2 HIS A 73 9.317 52.575 11.081 1.00 0.00 H new ATOM 0 HE1 HIS A 73 6.946 49.306 9.970 1.00 0.00 H new ATOM 0 HE2 HIS A 73 7.197 51.261 11.581 1.00 0.00 H new ATOM 1147 N HIS A 74 13.721 51.425 8.600 1.00 0.00 N ATOM 1148 CA HIS A 74 15.093 51.886 8.417 1.00 0.00 C ATOM 1149 C HIS A 74 15.124 53.238 7.710 1.00 0.00 C ATOM 1150 O HIS A 74 15.920 53.456 6.796 1.00 0.00 O ATOM 1151 CB HIS A 74 15.903 50.858 7.625 1.00 0.00 C ATOM 1152 CG HIS A 74 17.342 50.787 8.034 1.00 0.00 C ATOM 1153 ND1 HIS A 74 18.332 51.549 7.449 1.00 0.00 N ATOM 1154 CD2 HIS A 74 17.958 50.040 8.984 1.00 0.00 C ATOM 1155 CE1 HIS A 74 19.493 51.274 8.018 1.00 0.00 C ATOM 1156 NE2 HIS A 74 19.292 50.363 8.952 1.00 0.00 N ATOM 0 H HIS A 74 13.427 51.353 9.574 1.00 0.00 H new ATOM 0 HA HIS A 74 15.543 52.004 9.403 1.00 0.00 H new ATOM 0 HB2 HIS A 74 15.449 49.875 7.750 1.00 0.00 H new ATOM 0 HB3 HIS A 74 15.847 51.102 6.564 1.00 0.00 H new ATOM 0 HD2 HIS A 74 17.487 49.325 9.642 1.00 0.00 H new ATOM 0 HE1 HIS A 74 20.443 51.719 7.762 1.00 0.00 H new ATOM 0 HE2 HIS A 74 20.012 49.963 9.553 1.00 0.00 H new ATOM 1165 N HIS A 75 14.252 54.145 8.142 1.00 0.00 N ATOM 1166 CA HIS A 75 14.181 55.477 7.550 1.00 0.00 C ATOM 1167 C HIS A 75 14.270 56.559 8.624 1.00 0.00 C ATOM 1168 O HIS A 75 13.263 56.943 9.218 1.00 0.00 O ATOM 1169 CB HIS A 75 12.885 55.638 6.749 1.00 0.00 C ATOM 1170 CG HIS A 75 13.101 55.776 5.271 1.00 0.00 C ATOM 1171 ND1 HIS A 75 14.318 56.107 4.711 1.00 0.00 N ATOM 1172 CD2 HIS A 75 12.243 55.623 4.236 1.00 0.00 C ATOM 1173 CE1 HIS A 75 14.197 56.151 3.395 1.00 0.00 C ATOM 1174 NE2 HIS A 75 12.948 55.861 3.081 1.00 0.00 N ATOM 0 H HIS A 75 13.587 53.982 8.898 1.00 0.00 H new ATOM 0 HA HIS A 75 15.030 55.591 6.876 1.00 0.00 H new ATOM 0 HB2 HIS A 75 12.245 54.776 6.934 1.00 0.00 H new ATOM 0 HB3 HIS A 75 12.351 56.516 7.112 1.00 0.00 H new ATOM 0 HD2 HIS A 75 11.197 55.362 4.305 1.00 0.00 H new ATOM 0 HE1 HIS A 75 14.986 56.385 2.696 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.568 55.820 2.135 1.00 0.00 H new ATOM 1183 N HIS A 76 15.482 57.049 8.864 1.00 0.00 N ATOM 1184 CA HIS A 76 15.704 58.090 9.860 1.00 0.00 C ATOM 1185 C HIS A 76 16.960 58.889 9.529 1.00 0.00 C ATOM 1186 O HIS A 76 17.884 58.376 8.898 1.00 0.00 O ATOM 1187 CB HIS A 76 15.820 57.477 11.258 1.00 0.00 C ATOM 1188 CG HIS A 76 14.635 57.748 12.132 1.00 0.00 C ATOM 1189 ND1 HIS A 76 13.745 56.769 12.519 1.00 0.00 N ATOM 1190 CD2 HIS A 76 14.197 58.897 12.698 1.00 0.00 C ATOM 1191 CE1 HIS A 76 12.811 57.303 13.285 1.00 0.00 C ATOM 1192 NE2 HIS A 76 13.063 58.593 13.409 1.00 0.00 N ATOM 0 H HIS A 76 16.326 56.741 8.381 1.00 0.00 H new ATOM 0 HA HIS A 76 14.849 58.766 9.845 1.00 0.00 H new ATOM 0 HB2 HIS A 76 15.952 56.399 11.163 1.00 0.00 H new ATOM 0 HB3 HIS A 76 16.715 57.866 11.743 1.00 0.00 H new ATOM 0 HD2 HIS A 76 14.654 59.871 12.607 1.00 0.00 H new ATOM 0 HE1 HIS A 76 11.983 56.775 13.733 1.00 0.00 H new ATOM 0 HE2 HIS A 76 12.505 59.257 13.946 1.00 0.00 H new ATOM 1201 N HIS A 77 16.982 60.149 9.948 1.00 0.00 N ATOM 1202 CA HIS A 77 18.122 61.017 9.683 1.00 0.00 C ATOM 1203 C HIS A 77 18.004 62.325 10.458 1.00 0.00 C ATOM 1204 O HIS A 77 17.149 62.400 11.365 1.00 0.00 O ATOM 1205 CB HIS A 77 18.227 61.307 8.183 1.00 0.00 C ATOM 1206 CG HIS A 77 16.950 61.803 7.570 1.00 0.00 C ATOM 1207 ND1 HIS A 77 15.745 61.138 7.685 1.00 0.00 N ATOM 1208 CD2 HIS A 77 16.693 62.911 6.833 1.00 0.00 C ATOM 1209 CE1 HIS A 77 14.807 61.815 7.049 1.00 0.00 C ATOM 1210 NE2 HIS A 77 15.355 62.894 6.524 1.00 0.00 N ATOM 1211 OXT HIS A 77 18.768 63.265 10.152 1.00 0.00 O ATOM 0 H HIS A 77 16.226 60.591 10.471 1.00 0.00 H new ATOM 0 HA HIS A 77 19.024 60.502 10.013 1.00 0.00 H new ATOM 0 HB2 HIS A 77 19.009 62.048 8.020 1.00 0.00 H new ATOM 0 HB3 HIS A 77 18.537 60.398 7.668 1.00 0.00 H new ATOM 0 HD2 HIS A 77 17.408 63.667 6.543 1.00 0.00 H new ATOM 0 HE1 HIS A 77 13.767 61.533 6.972 1.00 0.00 H new ATOM 0 HE2 HIS A 77 14.864 63.601 5.977 1.00 0.00 H new TER 1220 HIS A 77