USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 938 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 ASN : amide:sc= -2.76! C(o=-7.2!,f=-18!) USER MOD Set 1.2: A 81 HIS :FLIP no HD1:sc= -4.39! C(o=-8!,f=-7.2!) USER MOD Set 2.1: A 29 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 31 MET CE :methyl 144:sc= -0.612 (180deg=-3.62!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 48:sc= 0.71 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -161:sc= -0.057 (180deg=-0.429) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -156:sc= -0.121 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc=-0.00134 X(o=-0.0013,f=0) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 48:sc= -0.677 USER MOD Single : A 32 SER OG : rot 24:sc= 1.25 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 80:sc= 1.11 USER MOD Single : A 44 ASN :FLIP amide:sc= -0.439 F(o=-1.3,f=-0.44) USER MOD Single : A 45 ASN : amide:sc= -0.329 K(o=-0.33,f=-11!) USER MOD Single : A 46 SER OG : rot -48:sc= 0.742 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 180:sc= -0.0425 USER MOD Single : A 50 ASN : amide:sc= -0.0795 K(o=-0.079,f=-1.5) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -1.31 K(o=-1.3,f=-3.9!) USER MOD Single : A 53 LYS NZ :NH3+ -144:sc= 0.156 (180deg=-0.768) USER MOD Single : A 54 GLN : amide:sc= 0.502 K(o=0.5,f=-0.073) USER MOD Single : A 56 SER OG : rot -44:sc= 1.03 USER MOD Single : A 58 GLN : amide:sc= -1.07 K(o=-1.1,f=-3.4!) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.629! F(o=-2,f=-0.63!) USER MOD Single : A 62 ASN : amide:sc= 0.117 K(o=0.12,f=-3.9!) USER MOD Single : A 63 TYR OH : rot 100:sc= -2.07 USER MOD Single : A 64 SER OG : rot -16:sc= 0.789 USER MOD Single : A 67 GLN : amide:sc= -1.16 K(o=-1.2,f=-3.6!) USER MOD Single : A 68 ASN :FLIP amide:sc=-0.000145 F(o=-2.6!,f=-0.00015) USER MOD Single : A 70 MET CE :methyl -161:sc= -0.104 (180deg=-0.63) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 14:sc= 0.416 USER MOD Single : A 78 SER OG : rot -46:sc= 1.22 USER MOD Single : A 80 SER OG : rot -51:sc= 0.984 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 ASN : amide:sc= -1.02 K(o=-1,f=-5.8!) USER MOD Single : A 92 GLN : amide:sc=-0.00116 X(o=-0.0012,f=0) USER MOD Single : A 93 ASN : amide:sc= -1.31 X(o=-1.3,f=-1.5!) USER MOD Single : A 95 LYS NZ :NH3+ 161:sc= -0.104 (180deg=-0.509) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS :FLIP no HD1:sc= -0.174 F(o=-1.6,f=-0.17) USER MOD Single : A 104 GLN : amide:sc= 1.12 K(o=1.1,f=-1.8) USER MOD Single : A 111 GLN :FLIP amide:sc= -2.08! C(o=-2.7!,f=-2.1!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= -1.47 USER MOD Single : A 118 SER OG : rot 23:sc= 0.556 USER MOD Single : A 119 SER OG : rot -20:sc= 0.294 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 24:sc= 0.98 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -51.358 7.856 21.093 1.00 0.00 N ATOM 2 CA GLY A 1 -51.645 6.848 20.035 1.00 0.00 C ATOM 3 C GLY A 1 -53.078 6.351 20.081 1.00 0.00 C ATOM 4 O GLY A 1 -53.368 5.352 20.739 1.00 0.00 O ATOM 0 H1 GLY A 1 -50.367 8.164 21.019 1.00 0.00 H new ATOM 0 H2 GLY A 1 -51.986 8.676 20.970 1.00 0.00 H new ATOM 0 H3 GLY A 1 -51.520 7.433 22.029 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -51.447 7.286 19.057 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -50.967 6.003 20.149 1.00 0.00 H new ATOM 10 N PRO A 2 -54.004 7.032 19.384 1.00 0.00 N ATOM 11 CA PRO A 2 -55.417 6.640 19.356 1.00 0.00 C ATOM 12 C PRO A 2 -55.603 5.176 18.973 1.00 0.00 C ATOM 13 O PRO A 2 -54.958 4.679 18.050 1.00 0.00 O ATOM 14 CB PRO A 2 -56.020 7.554 18.288 1.00 0.00 C ATOM 15 CG PRO A 2 -55.126 8.745 18.259 1.00 0.00 C ATOM 16 CD PRO A 2 -53.746 8.234 18.570 1.00 0.00 C ATOM 0 HA PRO A 2 -55.887 6.740 20.334 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -56.053 7.060 17.317 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -57.043 7.833 18.538 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -55.152 9.229 17.283 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -55.441 9.488 18.992 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -53.192 7.994 17.662 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -53.158 8.971 19.117 1.00 0.00 H new ATOM 24 N LEU A 3 -56.489 4.491 19.688 1.00 0.00 N ATOM 25 CA LEU A 3 -56.760 3.083 19.422 1.00 0.00 C ATOM 26 C LEU A 3 -57.816 2.929 18.332 1.00 0.00 C ATOM 27 O LEU A 3 -58.838 3.614 18.343 1.00 0.00 O ATOM 28 CB LEU A 3 -57.223 2.376 20.700 1.00 0.00 C ATOM 29 CG LEU A 3 -56.198 2.342 21.837 1.00 0.00 C ATOM 30 CD1 LEU A 3 -55.868 3.750 22.308 1.00 0.00 C ATOM 31 CD2 LEU A 3 -56.717 1.501 22.994 1.00 0.00 C ATOM 0 H LEU A 3 -57.031 4.888 20.456 1.00 0.00 H new ATOM 0 HA LEU A 3 -55.835 2.622 19.076 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -58.126 2.869 21.061 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -57.497 1.351 20.450 1.00 0.00 H new ATOM 0 HG LEU A 3 -55.283 1.886 21.459 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -55.138 3.702 23.116 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -55.454 4.323 21.479 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -56.775 4.235 22.667 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -55.977 1.487 23.794 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -57.647 1.930 23.367 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -56.900 0.483 22.650 1.00 0.00 H new ATOM 43 N GLY A 4 -57.560 2.026 17.391 1.00 0.00 N ATOM 44 CA GLY A 4 -58.497 1.799 16.307 1.00 0.00 C ATOM 45 C GLY A 4 -57.895 0.975 15.186 1.00 0.00 C ATOM 46 O GLY A 4 -58.455 -0.045 14.785 1.00 0.00 O ATOM 0 H GLY A 4 -56.720 1.448 17.360 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -59.380 1.291 16.694 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -58.830 2.758 15.911 1.00 0.00 H new ATOM 50 N SER A 5 -56.748 1.418 14.682 1.00 0.00 N ATOM 51 CA SER A 5 -56.064 0.715 13.604 1.00 0.00 C ATOM 52 C SER A 5 -54.595 0.502 13.954 1.00 0.00 C ATOM 53 O SER A 5 -53.719 1.205 13.450 1.00 0.00 O ATOM 54 CB SER A 5 -56.183 1.501 12.297 1.00 0.00 C ATOM 55 OG SER A 5 -55.605 2.789 12.422 1.00 0.00 O ATOM 0 H SER A 5 -56.273 2.261 15.003 1.00 0.00 H new ATOM 0 HA SER A 5 -56.537 -0.258 13.474 1.00 0.00 H new ATOM 0 HB2 SER A 5 -55.689 0.954 11.494 1.00 0.00 H new ATOM 0 HB3 SER A 5 -57.233 1.595 12.020 1.00 0.00 H new ATOM 0 HG SER A 5 -54.720 2.712 12.835 1.00 0.00 H new ATOM 61 N PRO A 6 -54.305 -0.474 14.831 1.00 0.00 N ATOM 62 CA PRO A 6 -52.933 -0.775 15.252 1.00 0.00 C ATOM 63 C PRO A 6 -52.114 -1.439 14.149 1.00 0.00 C ATOM 64 O PRO A 6 -51.576 -2.531 14.331 1.00 0.00 O ATOM 65 CB PRO A 6 -53.127 -1.735 16.427 1.00 0.00 C ATOM 66 CG PRO A 6 -54.437 -2.393 16.164 1.00 0.00 C ATOM 67 CD PRO A 6 -55.291 -1.358 15.484 1.00 0.00 C ATOM 0 HA PRO A 6 -52.379 0.129 15.507 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -52.320 -2.466 16.479 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -53.135 -1.201 17.377 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -54.312 -3.272 15.532 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -54.898 -2.730 17.092 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -55.968 -1.809 14.759 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -55.907 -0.813 16.199 1.00 0.00 H new ATOM 75 N SER A 7 -52.022 -0.770 13.003 1.00 0.00 N ATOM 76 CA SER A 7 -51.266 -1.293 11.871 1.00 0.00 C ATOM 77 C SER A 7 -50.458 -0.192 11.184 1.00 0.00 C ATOM 78 O SER A 7 -49.847 -0.425 10.141 1.00 0.00 O ATOM 79 CB SER A 7 -52.211 -1.950 10.864 1.00 0.00 C ATOM 80 OG SER A 7 -52.926 -3.020 11.457 1.00 0.00 O ATOM 0 H SER A 7 -52.462 0.135 12.835 1.00 0.00 H new ATOM 0 HA SER A 7 -50.568 -2.039 12.252 1.00 0.00 H new ATOM 0 HB2 SER A 7 -52.912 -1.208 10.481 1.00 0.00 H new ATOM 0 HB3 SER A 7 -51.640 -2.318 10.012 1.00 0.00 H new ATOM 0 HG SER A 7 -53.524 -3.422 10.793 1.00 0.00 H new ATOM 86 N LYS A 8 -50.456 1.006 11.770 1.00 0.00 N ATOM 87 CA LYS A 8 -49.720 2.133 11.207 1.00 0.00 C ATOM 88 C LYS A 8 -50.263 2.507 9.830 1.00 0.00 C ATOM 89 O LYS A 8 -51.034 3.458 9.696 1.00 0.00 O ATOM 90 CB LYS A 8 -48.225 1.808 11.113 1.00 0.00 C ATOM 91 CG LYS A 8 -47.529 1.689 12.462 1.00 0.00 C ATOM 92 CD LYS A 8 -48.116 0.570 13.308 1.00 0.00 C ATOM 93 CE LYS A 8 -47.330 0.377 14.595 1.00 0.00 C ATOM 94 NZ LYS A 8 -45.908 0.025 14.330 1.00 0.00 N ATOM 0 H LYS A 8 -50.956 1.218 12.633 1.00 0.00 H new ATOM 0 HA LYS A 8 -49.853 2.986 11.873 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -48.101 0.872 10.568 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -47.731 2.584 10.529 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -46.466 1.507 12.307 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -47.615 2.633 12.999 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -49.155 0.798 13.545 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -48.116 -0.358 12.737 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -47.373 1.291 15.187 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -47.794 -0.410 15.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -45.493 -0.406 15.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -45.859 -0.650 13.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -45.378 0.885 14.083 1.00 0.00 H new ATOM 108 N ASP A 9 -49.859 1.756 8.811 1.00 0.00 N ATOM 109 CA ASP A 9 -50.307 2.012 7.447 1.00 0.00 C ATOM 110 C ASP A 9 -50.312 0.725 6.627 1.00 0.00 C ATOM 111 O ASP A 9 -49.446 -0.134 6.797 1.00 0.00 O ATOM 112 CB ASP A 9 -49.408 3.054 6.779 1.00 0.00 C ATOM 113 CG ASP A 9 -47.961 2.608 6.706 1.00 0.00 C ATOM 114 OD1 ASP A 9 -47.361 2.362 7.774 1.00 0.00 O ATOM 115 OD2 ASP A 9 -47.428 2.503 5.582 1.00 0.00 O ATOM 0 H ASP A 9 -49.222 0.965 8.904 1.00 0.00 H new ATOM 0 HA ASP A 9 -51.325 2.398 7.491 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -49.775 3.254 5.772 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -49.469 3.991 7.333 1.00 0.00 H new ATOM 120 N CYS A 10 -51.291 0.599 5.738 1.00 0.00 N ATOM 121 CA CYS A 10 -51.408 -0.583 4.892 1.00 0.00 C ATOM 122 C CYS A 10 -51.406 -0.199 3.416 1.00 0.00 C ATOM 123 O CYS A 10 -50.748 -0.843 2.598 1.00 0.00 O ATOM 124 CB CYS A 10 -52.687 -1.353 5.229 1.00 0.00 C ATOM 125 SG CYS A 10 -52.771 -1.930 6.940 1.00 0.00 S ATOM 0 H CYS A 10 -52.015 1.301 5.584 1.00 0.00 H new ATOM 0 HA CYS A 10 -50.546 -1.222 5.083 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -53.547 -0.713 5.030 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -52.768 -2.212 4.563 1.00 0.00 H new ATOM 0 HG CYS A 10 -53.888 -2.567 7.129 1.00 0.00 H new ATOM 131 N GLY A 11 -52.147 0.852 3.082 1.00 0.00 N ATOM 132 CA GLY A 11 -52.217 1.302 1.704 1.00 0.00 C ATOM 133 C GLY A 11 -51.033 2.166 1.314 1.00 0.00 C ATOM 134 O GLY A 11 -50.231 1.783 0.463 1.00 0.00 O ATOM 0 H GLY A 11 -52.700 1.400 3.741 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -52.263 0.436 1.044 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -53.138 1.865 1.556 1.00 0.00 H new ATOM 138 N SER A 12 -50.925 3.335 1.938 1.00 0.00 N ATOM 139 CA SER A 12 -49.833 4.259 1.653 1.00 0.00 C ATOM 140 C SER A 12 -49.887 4.735 0.202 1.00 0.00 C ATOM 141 O SER A 12 -50.258 3.978 -0.695 1.00 0.00 O ATOM 142 CB SER A 12 -48.484 3.593 1.934 1.00 0.00 C ATOM 143 OG SER A 12 -48.382 3.202 3.293 1.00 0.00 O ATOM 0 H SER A 12 -51.582 3.665 2.645 1.00 0.00 H new ATOM 0 HA SER A 12 -49.944 5.125 2.306 1.00 0.00 H new ATOM 0 HB2 SER A 12 -48.364 2.721 1.291 1.00 0.00 H new ATOM 0 HB3 SER A 12 -47.676 4.283 1.689 1.00 0.00 H new ATOM 0 HG SER A 12 -47.437 3.147 3.547 1.00 0.00 H new ATOM 149 N PRO A 13 -49.522 6.005 -0.048 1.00 0.00 N ATOM 150 CA PRO A 13 -49.536 6.582 -1.396 1.00 0.00 C ATOM 151 C PRO A 13 -48.824 5.706 -2.423 1.00 0.00 C ATOM 152 O PRO A 13 -49.458 5.130 -3.307 1.00 0.00 O ATOM 153 CB PRO A 13 -48.795 7.909 -1.219 1.00 0.00 C ATOM 154 CG PRO A 13 -49.033 8.280 0.203 1.00 0.00 C ATOM 155 CD PRO A 13 -49.071 6.982 0.964 1.00 0.00 C ATOM 0 HA PRO A 13 -50.551 6.688 -1.779 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -47.731 7.801 -1.429 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -49.178 8.671 -1.898 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -48.241 8.929 0.576 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -49.970 8.826 0.313 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -48.091 6.722 1.365 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -49.758 7.031 1.809 1.00 0.00 H new ATOM 163 N LYS A 14 -47.502 5.623 -2.311 1.00 0.00 N ATOM 164 CA LYS A 14 -46.703 4.839 -3.235 1.00 0.00 C ATOM 165 C LYS A 14 -46.512 3.412 -2.731 1.00 0.00 C ATOM 166 O LYS A 14 -46.801 2.449 -3.442 1.00 0.00 O ATOM 167 CB LYS A 14 -45.353 5.518 -3.413 1.00 0.00 C ATOM 168 CG LYS A 14 -44.503 4.929 -4.519 1.00 0.00 C ATOM 169 CD LYS A 14 -43.192 5.678 -4.637 1.00 0.00 C ATOM 170 CE LYS A 14 -42.280 5.396 -3.454 1.00 0.00 C ATOM 171 NZ LYS A 14 -40.989 6.130 -3.560 1.00 0.00 N ATOM 0 H LYS A 14 -46.963 6.093 -1.584 1.00 0.00 H new ATOM 0 HA LYS A 14 -47.223 4.782 -4.191 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -45.515 6.576 -3.619 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -44.802 5.457 -2.475 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -44.310 3.876 -4.315 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -45.042 4.977 -5.465 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -42.690 5.391 -5.561 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -43.388 6.748 -4.700 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -42.785 5.681 -2.531 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -42.085 4.325 -3.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -40.396 5.911 -2.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -40.495 5.840 -4.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -41.173 7.153 -3.592 1.00 0.00 H new ATOM 185 N TYR A 15 -46.016 3.283 -1.505 1.00 0.00 N ATOM 186 CA TYR A 15 -45.780 1.972 -0.910 1.00 0.00 C ATOM 187 C TYR A 15 -44.739 1.204 -1.717 1.00 0.00 C ATOM 188 O TYR A 15 -45.031 0.696 -2.800 1.00 0.00 O ATOM 189 CB TYR A 15 -47.086 1.176 -0.838 1.00 0.00 C ATOM 190 CG TYR A 15 -46.960 -0.148 -0.113 1.00 0.00 C ATOM 191 CD1 TYR A 15 -46.188 -1.181 -0.631 1.00 0.00 C ATOM 192 CD2 TYR A 15 -47.614 -0.360 1.094 1.00 0.00 C ATOM 193 CE1 TYR A 15 -46.073 -2.388 0.034 1.00 0.00 C ATOM 194 CE2 TYR A 15 -47.503 -1.564 1.764 1.00 0.00 C ATOM 195 CZ TYR A 15 -46.732 -2.574 1.230 1.00 0.00 C ATOM 196 OH TYR A 15 -46.619 -3.773 1.895 1.00 0.00 O ATOM 0 H TYR A 15 -45.770 4.070 -0.904 1.00 0.00 H new ATOM 0 HA TYR A 15 -45.402 2.114 0.103 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -47.842 1.782 -0.338 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -47.444 0.992 -1.851 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -45.670 -1.039 -1.568 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -48.219 0.429 1.516 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -45.470 -3.181 -0.382 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -48.018 -1.713 2.702 1.00 0.00 H new ATOM 0 HH TYR A 15 -47.144 -3.739 2.722 1.00 0.00 H new ATOM 206 N ALA A 16 -43.522 1.128 -1.188 1.00 0.00 N ATOM 207 CA ALA A 16 -42.441 0.426 -1.867 1.00 0.00 C ATOM 208 C ALA A 16 -41.659 -0.466 -0.907 1.00 0.00 C ATOM 209 O ALA A 16 -40.482 -0.741 -1.131 1.00 0.00 O ATOM 210 CB ALA A 16 -41.508 1.424 -2.537 1.00 0.00 C ATOM 0 H ALA A 16 -43.261 1.543 -0.294 1.00 0.00 H new ATOM 0 HA ALA A 16 -42.886 -0.216 -2.627 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -40.704 0.888 -3.041 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -42.066 2.011 -3.266 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -41.085 2.089 -1.784 1.00 0.00 H new ATOM 216 N TYR A 17 -42.323 -0.907 0.165 1.00 0.00 N ATOM 217 CA TYR A 17 -41.708 -1.765 1.175 1.00 0.00 C ATOM 218 C TYR A 17 -40.935 -0.945 2.196 1.00 0.00 C ATOM 219 O TYR A 17 -40.393 -1.500 3.147 1.00 0.00 O ATOM 220 CB TYR A 17 -40.789 -2.822 0.550 1.00 0.00 C ATOM 221 CG TYR A 17 -41.474 -3.740 -0.446 1.00 0.00 C ATOM 222 CD1 TYR A 17 -42.841 -3.650 -0.697 1.00 0.00 C ATOM 223 CD2 TYR A 17 -40.746 -4.704 -1.134 1.00 0.00 C ATOM 224 CE1 TYR A 17 -43.457 -4.491 -1.604 1.00 0.00 C ATOM 225 CE2 TYR A 17 -41.357 -5.548 -2.042 1.00 0.00 C ATOM 226 CZ TYR A 17 -42.711 -5.437 -2.273 1.00 0.00 C ATOM 227 OH TYR A 17 -43.322 -6.277 -3.177 1.00 0.00 O ATOM 0 H TYR A 17 -43.299 -0.679 0.355 1.00 0.00 H new ATOM 0 HA TYR A 17 -42.522 -2.284 1.682 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -39.962 -2.317 0.051 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -40.358 -3.428 1.347 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -43.429 -2.911 -0.174 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -39.685 -4.795 -0.956 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -44.518 -4.407 -1.788 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -40.776 -6.291 -2.568 1.00 0.00 H new ATOM 0 HH TYR A 17 -42.656 -6.884 -3.562 1.00 0.00 H new ATOM 237 N PHE A 18 -40.896 0.376 1.998 1.00 0.00 N ATOM 238 CA PHE A 18 -40.203 1.277 2.916 1.00 0.00 C ATOM 239 C PHE A 18 -40.645 0.992 4.350 1.00 0.00 C ATOM 240 O PHE A 18 -41.394 1.761 4.952 1.00 0.00 O ATOM 241 CB PHE A 18 -40.501 2.738 2.550 1.00 0.00 C ATOM 242 CG PHE A 18 -41.922 3.165 2.820 1.00 0.00 C ATOM 243 CD1 PHE A 18 -42.993 2.497 2.244 1.00 0.00 C ATOM 244 CD2 PHE A 18 -42.184 4.236 3.662 1.00 0.00 C ATOM 245 CE1 PHE A 18 -44.292 2.886 2.501 1.00 0.00 C ATOM 246 CE2 PHE A 18 -43.483 4.631 3.921 1.00 0.00 C ATOM 247 CZ PHE A 18 -44.538 3.955 3.340 1.00 0.00 C ATOM 0 H PHE A 18 -41.338 0.844 1.207 1.00 0.00 H new ATOM 0 HA PHE A 18 -39.129 1.111 2.835 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -39.826 3.386 3.109 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -40.283 2.888 1.493 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -42.808 1.661 1.586 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -41.363 4.767 4.121 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -45.115 2.355 2.046 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -43.673 5.468 4.577 1.00 0.00 H new ATOM 0 HZ PHE A 18 -45.554 4.262 3.541 1.00 0.00 H new ATOM 257 N ASN A 19 -40.202 -0.140 4.878 1.00 0.00 N ATOM 258 CA ASN A 19 -40.574 -0.555 6.218 1.00 0.00 C ATOM 259 C ASN A 19 -40.378 0.575 7.226 1.00 0.00 C ATOM 260 O ASN A 19 -41.344 1.117 7.763 1.00 0.00 O ATOM 261 CB ASN A 19 -39.762 -1.782 6.640 1.00 0.00 C ATOM 262 CG ASN A 19 -40.140 -2.282 8.021 1.00 0.00 C ATOM 263 OD1 ASN A 19 -41.289 -2.644 8.271 1.00 0.00 O ATOM 264 ND2 ASN A 19 -39.170 -2.304 8.928 1.00 0.00 N ATOM 0 H ASN A 19 -39.581 -0.789 4.394 1.00 0.00 H new ATOM 0 HA ASN A 19 -41.633 -0.815 6.203 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -39.913 -2.581 5.914 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -38.701 -1.534 6.625 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -39.364 -2.630 9.875 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -38.231 -1.995 8.678 1.00 0.00 H new ATOM 271 N GLY A 20 -39.120 0.925 7.476 1.00 0.00 N ATOM 272 CA GLY A 20 -38.818 1.988 8.417 1.00 0.00 C ATOM 273 C GLY A 20 -37.868 3.018 7.844 1.00 0.00 C ATOM 274 O GLY A 20 -38.299 4.001 7.242 1.00 0.00 O ATOM 0 H GLY A 20 -38.304 0.491 7.044 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -39.744 2.479 8.715 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -38.381 1.558 9.318 1.00 0.00 H new ATOM 278 N CYS A 21 -36.571 2.797 8.031 1.00 0.00 N ATOM 279 CA CYS A 21 -35.565 3.720 7.525 1.00 0.00 C ATOM 280 C CYS A 21 -35.467 3.647 6.009 1.00 0.00 C ATOM 281 O CYS A 21 -35.369 2.565 5.430 1.00 0.00 O ATOM 282 CB CYS A 21 -34.198 3.425 8.139 1.00 0.00 C ATOM 283 SG CYS A 21 -34.133 3.632 9.934 1.00 0.00 S ATOM 0 H CYS A 21 -36.194 1.990 8.527 1.00 0.00 H new ATOM 0 HA CYS A 21 -35.874 4.726 7.809 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -33.914 2.402 7.892 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -33.457 4.081 7.682 1.00 0.00 H new ATOM 0 HG CYS A 21 -32.936 3.357 10.359 1.00 0.00 H new ATOM 289 N SER A 22 -35.487 4.810 5.373 1.00 0.00 N ATOM 290 CA SER A 22 -35.393 4.893 3.922 1.00 0.00 C ATOM 291 C SER A 22 -34.121 4.220 3.416 1.00 0.00 C ATOM 292 O SER A 22 -34.174 3.317 2.580 1.00 0.00 O ATOM 293 CB SER A 22 -35.416 6.355 3.480 1.00 0.00 C ATOM 294 OG SER A 22 -36.649 6.970 3.810 1.00 0.00 O ATOM 0 H SER A 22 -35.568 5.713 5.841 1.00 0.00 H new ATOM 0 HA SER A 22 -36.250 4.372 3.496 1.00 0.00 H new ATOM 0 HB2 SER A 22 -34.598 6.895 3.957 1.00 0.00 H new ATOM 0 HB3 SER A 22 -35.253 6.415 2.404 1.00 0.00 H new ATOM 0 HG SER A 22 -36.637 7.905 3.518 1.00 0.00 H new ATOM 300 N SER A 23 -32.978 4.667 3.927 1.00 0.00 N ATOM 301 CA SER A 23 -31.690 4.111 3.526 1.00 0.00 C ATOM 302 C SER A 23 -31.625 2.610 3.789 1.00 0.00 C ATOM 303 O SER A 23 -31.552 2.180 4.941 1.00 0.00 O ATOM 304 CB SER A 23 -30.550 4.804 4.278 1.00 0.00 C ATOM 305 OG SER A 23 -30.438 6.164 3.897 1.00 0.00 O ATOM 0 H SER A 23 -32.917 5.413 4.620 1.00 0.00 H new ATOM 0 HA SER A 23 -31.581 4.283 2.455 1.00 0.00 H new ATOM 0 HB2 SER A 23 -30.726 4.738 5.352 1.00 0.00 H new ATOM 0 HB3 SER A 23 -29.611 4.288 4.076 1.00 0.00 H new ATOM 0 HG SER A 23 -29.704 6.583 4.393 1.00 0.00 H new ATOM 311 N PRO A 24 -31.625 1.784 2.726 1.00 0.00 N ATOM 312 CA PRO A 24 -31.537 0.329 2.872 1.00 0.00 C ATOM 313 C PRO A 24 -30.326 -0.069 3.710 1.00 0.00 C ATOM 314 O PRO A 24 -30.270 -1.166 4.265 1.00 0.00 O ATOM 315 CB PRO A 24 -31.383 -0.172 1.433 1.00 0.00 C ATOM 316 CG PRO A 24 -31.964 0.910 0.588 1.00 0.00 C ATOM 317 CD PRO A 24 -31.682 2.197 1.312 1.00 0.00 C ATOM 0 HA PRO A 24 -32.404 -0.092 3.381 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -30.336 -0.348 1.185 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -31.909 -1.115 1.284 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -31.514 0.914 -0.405 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -33.036 0.766 0.452 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -30.744 2.645 0.985 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -32.465 2.936 1.140 1.00 0.00 H new ATOM 325 N THR A 25 -29.361 0.847 3.795 1.00 0.00 N ATOM 326 CA THR A 25 -28.142 0.633 4.562 1.00 0.00 C ATOM 327 C THR A 25 -28.455 0.399 6.037 1.00 0.00 C ATOM 328 O THR A 25 -28.281 1.290 6.868 1.00 0.00 O ATOM 329 CB THR A 25 -27.225 1.848 4.413 1.00 0.00 C ATOM 330 OG1 THR A 25 -27.910 3.038 4.763 1.00 0.00 O ATOM 331 CG2 THR A 25 -26.684 2.023 3.010 1.00 0.00 C ATOM 0 H THR A 25 -29.406 1.756 3.333 1.00 0.00 H new ATOM 0 HA THR A 25 -27.643 -0.256 4.176 1.00 0.00 H new ATOM 0 HB THR A 25 -26.387 1.662 5.085 1.00 0.00 H new ATOM 0 HG1 THR A 25 -28.368 2.912 5.620 1.00 0.00 H new ATOM 0 HG21 THR A 25 -26.042 2.903 2.975 1.00 0.00 H new ATOM 0 HG22 THR A 25 -26.108 1.141 2.730 1.00 0.00 H new ATOM 0 HG23 THR A 25 -27.513 2.151 2.314 1.00 0.00 H new ATOM 339 N ALA A 26 -28.917 -0.803 6.353 1.00 0.00 N ATOM 340 CA ALA A 26 -29.254 -1.155 7.726 1.00 0.00 C ATOM 341 C ALA A 26 -28.006 -1.202 8.604 1.00 0.00 C ATOM 342 O ALA A 26 -27.921 -0.499 9.610 1.00 0.00 O ATOM 343 CB ALA A 26 -29.983 -2.491 7.764 1.00 0.00 C ATOM 0 H ALA A 26 -29.067 -1.552 5.677 1.00 0.00 H new ATOM 0 HA ALA A 26 -29.914 -0.383 8.122 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -30.229 -2.742 8.796 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -30.900 -2.422 7.179 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -29.343 -3.267 7.345 1.00 0.00 H new ATOM 349 N PRO A 27 -27.019 -2.039 8.233 1.00 0.00 N ATOM 350 CA PRO A 27 -25.771 -2.184 8.986 1.00 0.00 C ATOM 351 C PRO A 27 -25.217 -0.852 9.480 1.00 0.00 C ATOM 352 O PRO A 27 -25.385 0.183 8.835 1.00 0.00 O ATOM 353 CB PRO A 27 -24.827 -2.805 7.961 1.00 0.00 C ATOM 354 CG PRO A 27 -25.713 -3.620 7.083 1.00 0.00 C ATOM 355 CD PRO A 27 -27.046 -2.915 7.047 1.00 0.00 C ATOM 0 HA PRO A 27 -25.907 -2.777 9.890 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -24.300 -2.039 7.392 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -24.069 -3.423 8.443 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -25.293 -3.707 6.081 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -25.820 -4.632 7.472 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -27.169 -2.340 6.129 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -27.873 -3.623 7.093 1.00 0.00 H new ATOM 363 N LEU A 28 -24.553 -0.891 10.630 1.00 0.00 N ATOM 364 CA LEU A 28 -23.967 0.311 11.217 1.00 0.00 C ATOM 365 C LEU A 28 -22.966 -0.034 12.319 1.00 0.00 C ATOM 366 O LEU A 28 -21.984 0.681 12.520 1.00 0.00 O ATOM 367 CB LEU A 28 -25.063 1.247 11.755 1.00 0.00 C ATOM 368 CG LEU A 28 -25.947 0.696 12.887 1.00 0.00 C ATOM 369 CD1 LEU A 28 -26.578 -0.631 12.497 1.00 0.00 C ATOM 370 CD2 LEU A 28 -25.158 0.561 14.182 1.00 0.00 C ATOM 0 H LEU A 28 -24.407 -1.741 11.175 1.00 0.00 H new ATOM 0 HA LEU A 28 -23.425 0.831 10.427 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -24.586 2.161 12.110 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -25.710 1.527 10.924 1.00 0.00 H new ATOM 0 HG LEU A 28 -26.751 1.412 13.055 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -27.197 -0.995 13.317 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -27.196 -0.493 11.610 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -25.794 -1.358 12.284 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -25.808 0.169 14.965 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -24.322 -0.121 14.029 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -24.779 1.538 14.481 1.00 0.00 H new ATOM 382 N SER A 29 -23.217 -1.129 13.030 1.00 0.00 N ATOM 383 CA SER A 29 -22.337 -1.561 14.108 1.00 0.00 C ATOM 384 C SER A 29 -20.946 -1.896 13.583 1.00 0.00 C ATOM 385 O SER A 29 -20.804 -2.526 12.535 1.00 0.00 O ATOM 386 CB SER A 29 -22.929 -2.779 14.818 1.00 0.00 C ATOM 387 OG SER A 29 -23.100 -3.861 13.919 1.00 0.00 O ATOM 0 H SER A 29 -24.024 -1.734 12.878 1.00 0.00 H new ATOM 0 HA SER A 29 -22.247 -0.738 14.817 1.00 0.00 H new ATOM 0 HB2 SER A 29 -22.274 -3.081 15.635 1.00 0.00 H new ATOM 0 HB3 SER A 29 -23.889 -2.515 15.260 1.00 0.00 H new ATOM 0 HG SER A 29 -23.478 -4.628 14.398 1.00 0.00 H new ATOM 393 N PRO A 30 -19.892 -1.492 14.317 1.00 0.00 N ATOM 394 CA PRO A 30 -18.509 -1.772 13.925 1.00 0.00 C ATOM 395 C PRO A 30 -18.191 -3.263 14.000 1.00 0.00 C ATOM 396 O PRO A 30 -17.120 -3.701 13.580 1.00 0.00 O ATOM 397 CB PRO A 30 -17.679 -0.994 14.949 1.00 0.00 C ATOM 398 CG PRO A 30 -18.569 -0.857 16.135 1.00 0.00 C ATOM 399 CD PRO A 30 -19.967 -0.753 15.592 1.00 0.00 C ATOM 0 HA PRO A 30 -18.306 -1.482 12.894 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -16.762 -1.527 15.202 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -17.384 -0.019 14.561 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.471 -1.716 16.798 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -18.310 0.027 16.718 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -20.696 -1.195 16.271 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -20.263 0.285 15.439 1.00 0.00 H new ATOM 407 N MET A 31 -19.135 -4.037 14.539 1.00 0.00 N ATOM 408 CA MET A 31 -18.971 -5.484 14.674 1.00 0.00 C ATOM 409 C MET A 31 -18.380 -6.097 13.405 1.00 0.00 C ATOM 410 O MET A 31 -17.371 -6.801 13.457 1.00 0.00 O ATOM 411 CB MET A 31 -20.323 -6.131 14.986 1.00 0.00 C ATOM 412 CG MET A 31 -20.270 -7.646 15.094 1.00 0.00 C ATOM 413 SD MET A 31 -21.889 -8.369 15.419 1.00 0.00 S ATOM 414 CE MET A 31 -22.817 -7.762 14.012 1.00 0.00 C ATOM 0 H MET A 31 -20.025 -3.683 14.890 1.00 0.00 H new ATOM 0 HA MET A 31 -18.277 -5.673 15.493 1.00 0.00 H new ATOM 0 HB2 MET A 31 -20.703 -5.723 15.923 1.00 0.00 H new ATOM 0 HB3 MET A 31 -21.034 -5.857 14.207 1.00 0.00 H new ATOM 0 HG2 MET A 31 -19.870 -8.060 14.168 1.00 0.00 H new ATOM 0 HG3 MET A 31 -19.583 -7.927 15.892 1.00 0.00 H new ATOM 0 HE1 MET A 31 -23.527 -8.523 13.689 1.00 0.00 H new ATOM 0 HE2 MET A 31 -23.357 -6.858 14.295 1.00 0.00 H new ATOM 0 HE3 MET A 31 -22.132 -7.535 13.195 1.00 0.00 H new ATOM 424 N SER A 32 -19.015 -5.823 12.269 1.00 0.00 N ATOM 425 CA SER A 32 -18.555 -6.344 10.984 1.00 0.00 C ATOM 426 C SER A 32 -18.316 -7.852 11.050 1.00 0.00 C ATOM 427 O SER A 32 -17.185 -8.302 11.233 1.00 0.00 O ATOM 428 CB SER A 32 -17.271 -5.632 10.551 1.00 0.00 C ATOM 429 OG SER A 32 -16.233 -5.827 11.496 1.00 0.00 O ATOM 0 H SER A 32 -19.851 -5.242 12.212 1.00 0.00 H new ATOM 0 HA SER A 32 -19.337 -6.154 10.249 1.00 0.00 H new ATOM 0 HB2 SER A 32 -16.955 -6.007 9.577 1.00 0.00 H new ATOM 0 HB3 SER A 32 -17.465 -4.566 10.435 1.00 0.00 H new ATOM 0 HG SER A 32 -16.403 -6.648 12.003 1.00 0.00 H new ATOM 435 N PRO A 33 -19.384 -8.654 10.897 1.00 0.00 N ATOM 436 CA PRO A 33 -19.286 -10.118 10.937 1.00 0.00 C ATOM 437 C PRO A 33 -18.313 -10.670 9.894 1.00 0.00 C ATOM 438 O PRO A 33 -17.500 -11.543 10.199 1.00 0.00 O ATOM 439 CB PRO A 33 -20.713 -10.589 10.636 1.00 0.00 C ATOM 440 CG PRO A 33 -21.583 -9.426 10.967 1.00 0.00 C ATOM 441 CD PRO A 33 -20.767 -8.200 10.672 1.00 0.00 C ATOM 0 HA PRO A 33 -18.903 -10.467 11.896 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -20.821 -10.877 9.590 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -20.975 -11.461 11.235 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -22.496 -9.440 10.371 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -21.885 -9.451 12.014 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -20.916 -7.854 9.649 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -21.031 -7.372 11.330 1.00 0.00 H new ATOM 449 N PRO A 34 -18.382 -10.172 8.644 1.00 0.00 N ATOM 450 CA PRO A 34 -17.500 -10.629 7.563 1.00 0.00 C ATOM 451 C PRO A 34 -16.038 -10.706 7.990 1.00 0.00 C ATOM 452 O PRO A 34 -15.302 -11.591 7.554 1.00 0.00 O ATOM 453 CB PRO A 34 -17.688 -9.561 6.487 1.00 0.00 C ATOM 454 CG PRO A 34 -19.075 -9.062 6.698 1.00 0.00 C ATOM 455 CD PRO A 34 -19.321 -9.129 8.181 1.00 0.00 C ATOM 0 HA PRO A 34 -17.747 -11.639 7.235 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -16.957 -8.759 6.591 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -17.563 -9.978 5.488 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -19.182 -8.041 6.331 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -19.796 -9.673 6.155 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -19.125 -8.171 8.663 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -20.355 -9.393 8.404 1.00 0.00 H new ATOM 463 N GLY A 35 -15.623 -9.777 8.845 1.00 0.00 N ATOM 464 CA GLY A 35 -14.250 -9.765 9.312 1.00 0.00 C ATOM 465 C GLY A 35 -13.655 -8.372 9.341 1.00 0.00 C ATOM 466 O GLY A 35 -13.985 -7.568 10.213 1.00 0.00 O ATOM 0 H GLY A 35 -16.212 -9.034 9.222 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -14.207 -10.195 10.313 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.645 -10.401 8.666 1.00 0.00 H new ATOM 470 N TYR A 36 -12.764 -8.092 8.394 1.00 0.00 N ATOM 471 CA TYR A 36 -12.106 -6.793 8.321 1.00 0.00 C ATOM 472 C TYR A 36 -11.241 -6.585 9.552 1.00 0.00 C ATOM 473 O TYR A 36 -11.460 -5.664 10.339 1.00 0.00 O ATOM 474 CB TYR A 36 -13.134 -5.666 8.194 1.00 0.00 C ATOM 475 CG TYR A 36 -13.923 -5.706 6.905 1.00 0.00 C ATOM 476 CD1 TYR A 36 -14.760 -6.775 6.609 1.00 0.00 C ATOM 477 CD2 TYR A 36 -13.825 -4.674 5.981 1.00 0.00 C ATOM 478 CE1 TYR A 36 -15.478 -6.812 5.429 1.00 0.00 C ATOM 479 CE2 TYR A 36 -14.541 -4.703 4.800 1.00 0.00 C ATOM 480 CZ TYR A 36 -15.366 -5.774 4.528 1.00 0.00 C ATOM 481 OH TYR A 36 -16.080 -5.807 3.352 1.00 0.00 O ATOM 0 H TYR A 36 -12.482 -8.749 7.666 1.00 0.00 H new ATOM 0 HA TYR A 36 -11.474 -6.773 7.433 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -13.825 -5.720 9.035 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -12.620 -4.707 8.266 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -14.851 -7.590 7.312 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -13.178 -3.835 6.189 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -16.124 -7.650 5.213 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -14.455 -3.891 4.093 1.00 0.00 H new ATOM 0 HH TYR A 36 -15.889 -5.000 2.830 1.00 0.00 H new ATOM 491 N LYS A 37 -10.268 -7.470 9.718 1.00 0.00 N ATOM 492 CA LYS A 37 -9.371 -7.417 10.860 1.00 0.00 C ATOM 493 C LYS A 37 -7.995 -7.974 10.507 1.00 0.00 C ATOM 494 O LYS A 37 -6.970 -7.385 10.849 1.00 0.00 O ATOM 495 CB LYS A 37 -9.976 -8.208 12.018 1.00 0.00 C ATOM 496 CG LYS A 37 -11.267 -7.609 12.554 1.00 0.00 C ATOM 497 CD LYS A 37 -11.880 -8.479 13.640 1.00 0.00 C ATOM 498 CE LYS A 37 -12.345 -9.817 13.088 1.00 0.00 C ATOM 499 NZ LYS A 37 -12.919 -10.688 14.150 1.00 0.00 N ATOM 0 H LYS A 37 -10.081 -8.236 9.072 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.244 -6.375 11.154 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.168 -9.229 11.689 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.248 -8.266 12.827 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.069 -6.614 12.953 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.979 -7.489 11.738 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.148 -8.645 14.430 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.724 -7.958 14.092 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.093 -9.649 12.313 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.505 -10.326 12.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.224 -11.590 13.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.198 -10.869 14.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.737 -10.214 14.584 1.00 0.00 H new ATOM 513 N LEU A 38 -7.981 -9.115 9.825 1.00 0.00 N ATOM 514 CA LEU A 38 -6.731 -9.755 9.430 1.00 0.00 C ATOM 515 C LEU A 38 -5.929 -10.174 10.659 1.00 0.00 C ATOM 516 O LEU A 38 -4.779 -9.771 10.835 1.00 0.00 O ATOM 517 CB LEU A 38 -5.902 -8.811 8.555 1.00 0.00 C ATOM 518 CG LEU A 38 -4.616 -9.414 7.984 1.00 0.00 C ATOM 519 CD1 LEU A 38 -4.933 -10.628 7.125 1.00 0.00 C ATOM 520 CD2 LEU A 38 -3.854 -8.372 7.179 1.00 0.00 C ATOM 0 H LEU A 38 -8.821 -9.615 9.534 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.971 -10.648 8.853 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.523 -8.469 7.727 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.642 -7.931 9.143 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.986 -9.736 8.813 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.007 -11.044 6.727 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.438 -11.380 7.731 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.581 -10.331 6.300 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.942 -8.816 6.780 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.477 -8.021 6.356 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.596 -7.532 7.823 1.00 0.00 H new ATOM 532 N VAL A 39 -6.549 -10.985 11.508 1.00 0.00 N ATOM 533 CA VAL A 39 -5.902 -11.462 12.724 1.00 0.00 C ATOM 534 C VAL A 39 -5.580 -12.947 12.616 1.00 0.00 C ATOM 535 O VAL A 39 -4.570 -13.419 13.138 1.00 0.00 O ATOM 536 CB VAL A 39 -6.792 -11.229 13.960 1.00 0.00 C ATOM 537 CG1 VAL A 39 -8.080 -12.035 13.861 1.00 0.00 C ATOM 538 CG2 VAL A 39 -6.037 -11.568 15.235 1.00 0.00 C ATOM 0 H VAL A 39 -7.501 -11.327 11.376 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.978 -10.896 12.841 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.059 -10.173 13.993 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.691 -11.854 14.745 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.631 -11.733 12.970 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.841 -13.096 13.797 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.682 -11.397 16.096 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.734 -12.615 15.211 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.153 -10.936 15.313 1.00 0.00 H new ATOM 548 N THR A 40 -6.452 -13.674 11.931 1.00 0.00 N ATOM 549 CA THR A 40 -6.282 -15.108 11.741 1.00 0.00 C ATOM 550 C THR A 40 -5.132 -15.402 10.783 1.00 0.00 C ATOM 551 O THR A 40 -4.477 -16.440 10.884 1.00 0.00 O ATOM 552 CB THR A 40 -7.578 -15.721 11.211 1.00 0.00 C ATOM 553 OG1 THR A 40 -8.017 -15.036 10.052 1.00 0.00 O ATOM 554 CG2 THR A 40 -8.708 -15.694 12.217 1.00 0.00 C ATOM 0 H THR A 40 -7.290 -13.291 11.495 1.00 0.00 H new ATOM 0 HA THR A 40 -6.041 -15.555 12.706 1.00 0.00 H new ATOM 0 HB THR A 40 -7.337 -16.761 10.989 1.00 0.00 H new ATOM 0 HG1 THR A 40 -7.512 -15.353 9.274 1.00 0.00 H new ATOM 0 HG21 THR A 40 -9.598 -16.144 11.777 1.00 0.00 H new ATOM 0 HG22 THR A 40 -8.418 -16.256 13.105 1.00 0.00 H new ATOM 0 HG23 THR A 40 -8.923 -14.662 12.495 1.00 0.00 H new ATOM 562 N GLY A 41 -4.890 -14.483 9.854 1.00 0.00 N ATOM 563 CA GLY A 41 -3.817 -14.663 8.893 1.00 0.00 C ATOM 564 C GLY A 41 -4.327 -14.936 7.490 1.00 0.00 C ATOM 565 O GLY A 41 -3.586 -15.431 6.641 1.00 0.00 O ATOM 0 H GLY A 41 -5.418 -13.616 9.749 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.192 -13.770 8.881 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.184 -15.491 9.212 1.00 0.00 H new ATOM 569 N ASP A 42 -5.593 -14.613 7.245 1.00 0.00 N ATOM 570 CA ASP A 42 -6.195 -14.827 5.934 1.00 0.00 C ATOM 571 C ASP A 42 -7.333 -13.839 5.687 1.00 0.00 C ATOM 572 O ASP A 42 -8.230 -14.101 4.886 1.00 0.00 O ATOM 573 CB ASP A 42 -6.716 -16.260 5.818 1.00 0.00 C ATOM 574 CG ASP A 42 -7.760 -16.584 6.868 1.00 0.00 C ATOM 575 OD1 ASP A 42 -7.438 -16.498 8.072 1.00 0.00 O ATOM 576 OD2 ASP A 42 -8.900 -16.922 6.487 1.00 0.00 O ATOM 0 H ASP A 42 -6.221 -14.203 7.936 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.426 -14.663 5.179 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.144 -16.409 4.827 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.882 -16.955 5.913 1.00 0.00 H new ATOM 581 N ARG A 43 -7.290 -12.704 6.379 1.00 0.00 N ATOM 582 CA ARG A 43 -8.318 -11.679 6.233 1.00 0.00 C ATOM 583 C ARG A 43 -9.709 -12.244 6.515 1.00 0.00 C ATOM 584 O ARG A 43 -10.714 -11.680 6.082 1.00 0.00 O ATOM 585 CB ARG A 43 -8.276 -11.083 4.824 1.00 0.00 C ATOM 586 CG ARG A 43 -6.950 -10.423 4.482 1.00 0.00 C ATOM 587 CD ARG A 43 -6.961 -9.852 3.072 1.00 0.00 C ATOM 588 NE ARG A 43 -7.998 -8.836 2.898 1.00 0.00 N ATOM 589 CZ ARG A 43 -7.995 -7.657 3.516 1.00 0.00 C ATOM 590 NH1 ARG A 43 -6.989 -7.317 4.312 1.00 0.00 N ATOM 591 NH2 ARG A 43 -8.996 -6.808 3.326 1.00 0.00 N ATOM 0 H ARG A 43 -6.554 -12.471 7.046 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.113 -10.896 6.963 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.478 -11.871 4.099 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.074 -10.348 4.726 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.743 -9.627 5.197 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.145 -11.152 4.575 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.987 -9.417 2.850 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -7.120 -10.658 2.356 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.770 -9.043 2.265 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.211 -7.961 4.454 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.994 -6.412 4.782 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.767 -7.059 2.707 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.995 -5.904 3.799 1.00 0.00 H new ATOM 605 N ASN A 44 -9.762 -13.358 7.243 1.00 0.00 N ATOM 606 CA ASN A 44 -11.032 -13.998 7.583 1.00 0.00 C ATOM 607 C ASN A 44 -11.686 -14.588 6.338 1.00 0.00 C ATOM 608 O ASN A 44 -11.819 -15.804 6.205 1.00 0.00 O ATOM 609 CB ASN A 44 -11.987 -12.988 8.226 1.00 0.00 C ATOM 610 CG ASN A 44 -11.309 -12.127 9.271 1.00 0.00 C ATOM 611 OD1 ASN A 44 -11.291 -10.821 9.028 1.00 0.00 O flip ATOM 612 ND2 ASN A 44 -10.808 -12.625 10.278 1.00 0.00 N flip ATOM 0 H ASN A 44 -8.939 -13.837 7.609 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.825 -14.799 8.292 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -12.408 -12.348 7.451 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -12.819 -13.522 8.685 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.847 -13.634 10.421 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -10.354 -12.029 10.970 1.00 0.00 H new ATOM 619 N ASN A 45 -12.095 -13.706 5.434 1.00 0.00 N ATOM 620 CA ASN A 45 -12.744 -14.107 4.192 1.00 0.00 C ATOM 621 C ASN A 45 -11.725 -14.316 3.079 1.00 0.00 C ATOM 622 O ASN A 45 -11.848 -15.248 2.285 1.00 0.00 O ATOM 623 CB ASN A 45 -13.765 -13.045 3.776 1.00 0.00 C ATOM 624 CG ASN A 45 -13.187 -11.643 3.833 1.00 0.00 C ATOM 625 OD1 ASN A 45 -12.303 -11.290 3.053 1.00 0.00 O ATOM 626 ND2 ASN A 45 -13.675 -10.842 4.775 1.00 0.00 N ATOM 0 H ASN A 45 -11.987 -12.697 5.540 1.00 0.00 H new ATOM 0 HA ASN A 45 -13.254 -15.055 4.363 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -14.111 -13.253 2.764 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -14.636 -13.104 4.429 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -13.316 -9.892 4.873 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -14.408 -11.177 5.400 1.00 0.00 H new ATOM 633 N SER A 46 -10.729 -13.431 3.019 1.00 0.00 N ATOM 634 CA SER A 46 -9.684 -13.493 1.996 1.00 0.00 C ATOM 635 C SER A 46 -10.187 -12.865 0.706 1.00 0.00 C ATOM 636 O SER A 46 -9.808 -13.272 -0.392 1.00 0.00 O ATOM 637 CB SER A 46 -9.228 -14.935 1.741 1.00 0.00 C ATOM 638 OG SER A 46 -8.131 -14.969 0.843 1.00 0.00 O ATOM 0 H SER A 46 -10.624 -12.656 3.674 1.00 0.00 H new ATOM 0 HA SER A 46 -8.822 -12.934 2.360 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.946 -15.403 2.684 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.055 -15.515 1.332 1.00 0.00 H new ATOM 0 HG SER A 46 -8.330 -14.411 0.062 1.00 0.00 H new ATOM 644 N SER A 47 -11.045 -11.863 0.860 1.00 0.00 N ATOM 645 CA SER A 47 -11.623 -11.147 -0.268 1.00 0.00 C ATOM 646 C SER A 47 -10.560 -10.782 -1.301 1.00 0.00 C ATOM 647 O SER A 47 -9.899 -9.750 -1.192 1.00 0.00 O ATOM 648 CB SER A 47 -12.324 -9.888 0.237 1.00 0.00 C ATOM 649 OG SER A 47 -12.660 -9.021 -0.832 1.00 0.00 O ATOM 0 H SER A 47 -11.358 -11.525 1.770 1.00 0.00 H new ATOM 0 HA SER A 47 -12.346 -11.799 -0.757 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.227 -10.165 0.780 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.676 -9.366 0.941 1.00 0.00 H new ATOM 0 HG SER A 47 -13.109 -8.225 -0.479 1.00 0.00 H new ATOM 655 N CYS A 48 -10.405 -11.642 -2.301 1.00 0.00 N ATOM 656 CA CYS A 48 -9.424 -11.423 -3.359 1.00 0.00 C ATOM 657 C CYS A 48 -10.097 -11.412 -4.725 1.00 0.00 C ATOM 658 O CYS A 48 -9.549 -11.924 -5.701 1.00 0.00 O ATOM 659 CB CYS A 48 -8.357 -12.516 -3.323 1.00 0.00 C ATOM 660 SG CYS A 48 -8.991 -14.179 -3.644 1.00 0.00 S ATOM 0 H CYS A 48 -10.947 -12.500 -2.402 1.00 0.00 H new ATOM 0 HA CYS A 48 -8.954 -10.454 -3.191 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -7.589 -12.283 -4.061 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -7.874 -12.505 -2.346 1.00 0.00 H new ATOM 0 HG CYS A 48 -8.013 -15.034 -3.594 1.00 0.00 H new ATOM 666 N ARG A 49 -11.292 -10.837 -4.788 1.00 0.00 N ATOM 667 CA ARG A 49 -12.037 -10.778 -6.038 1.00 0.00 C ATOM 668 C ARG A 49 -12.214 -9.335 -6.499 1.00 0.00 C ATOM 669 O ARG A 49 -13.293 -8.940 -6.940 1.00 0.00 O ATOM 670 CB ARG A 49 -13.402 -11.447 -5.868 1.00 0.00 C ATOM 671 CG ARG A 49 -13.342 -12.786 -5.146 1.00 0.00 C ATOM 672 CD ARG A 49 -12.311 -13.719 -5.764 1.00 0.00 C ATOM 673 NE ARG A 49 -12.355 -15.052 -5.167 1.00 0.00 N ATOM 674 CZ ARG A 49 -11.558 -16.054 -5.531 1.00 0.00 C ATOM 675 NH1 ARG A 49 -10.655 -15.879 -6.489 1.00 0.00 N ATOM 676 NH2 ARG A 49 -11.663 -17.234 -4.936 1.00 0.00 N ATOM 0 H ARG A 49 -11.763 -10.407 -3.992 1.00 0.00 H new ATOM 0 HA ARG A 49 -11.470 -11.313 -6.800 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -14.059 -10.776 -5.316 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.850 -11.594 -6.851 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.099 -12.622 -4.096 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -14.324 -13.259 -5.176 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.488 -13.796 -6.837 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.315 -13.296 -5.635 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.036 -15.225 -4.428 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.570 -14.973 -6.950 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.047 -16.650 -6.764 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.355 -17.374 -4.199 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.052 -18.002 -5.215 1.00 0.00 H new ATOM 690 N ASN A 50 -11.146 -8.552 -6.395 1.00 0.00 N ATOM 691 CA ASN A 50 -11.180 -7.154 -6.803 1.00 0.00 C ATOM 692 C ASN A 50 -11.087 -7.028 -8.321 1.00 0.00 C ATOM 693 O ASN A 50 -10.215 -7.626 -8.951 1.00 0.00 O ATOM 694 CB ASN A 50 -10.036 -6.383 -6.143 1.00 0.00 C ATOM 695 CG ASN A 50 -10.143 -6.374 -4.630 1.00 0.00 C ATOM 696 OD1 ASN A 50 -10.136 -7.426 -3.990 1.00 0.00 O ATOM 697 ND2 ASN A 50 -10.242 -5.183 -4.051 1.00 0.00 N ATOM 0 H ASN A 50 -10.245 -8.863 -6.031 1.00 0.00 H new ATOM 0 HA ASN A 50 -12.130 -6.728 -6.480 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.085 -6.829 -6.435 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.033 -5.357 -6.511 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.316 -5.114 -3.036 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -10.244 -4.337 -4.621 1.00 0.00 H new ATOM 704 N TYR A 51 -11.994 -6.250 -8.902 1.00 0.00 N ATOM 705 CA TYR A 51 -12.015 -6.049 -10.347 1.00 0.00 C ATOM 706 C TYR A 51 -11.383 -4.712 -10.723 1.00 0.00 C ATOM 707 O TYR A 51 -12.067 -3.797 -11.181 1.00 0.00 O ATOM 708 CB TYR A 51 -13.451 -6.107 -10.869 1.00 0.00 C ATOM 709 CG TYR A 51 -14.140 -7.430 -10.617 1.00 0.00 C ATOM 710 CD1 TYR A 51 -14.361 -7.887 -9.323 1.00 0.00 C ATOM 711 CD2 TYR A 51 -14.568 -8.223 -11.674 1.00 0.00 C ATOM 712 CE1 TYR A 51 -14.989 -9.096 -9.092 1.00 0.00 C ATOM 713 CE2 TYR A 51 -15.197 -9.433 -11.451 1.00 0.00 C ATOM 714 CZ TYR A 51 -15.405 -9.865 -10.158 1.00 0.00 C ATOM 715 OH TYR A 51 -16.032 -11.068 -9.931 1.00 0.00 O ATOM 0 H TYR A 51 -12.724 -5.749 -8.395 1.00 0.00 H new ATOM 0 HA TYR A 51 -11.433 -6.848 -10.806 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -14.030 -5.311 -10.400 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -13.446 -5.909 -11.941 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -14.037 -7.288 -8.485 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -14.406 -7.888 -12.688 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -15.153 -9.437 -8.081 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -15.524 -10.037 -12.285 1.00 0.00 H new ATOM 0 HH TYR A 51 -16.262 -11.484 -10.788 1.00 0.00 H new ATOM 725 N ASN A 52 -10.073 -4.607 -10.529 1.00 0.00 N ATOM 726 CA ASN A 52 -9.348 -3.383 -10.850 1.00 0.00 C ATOM 727 C ASN A 52 -7.864 -3.530 -10.537 1.00 0.00 C ATOM 728 O ASN A 52 -7.009 -3.119 -11.321 1.00 0.00 O ATOM 729 CB ASN A 52 -9.929 -2.199 -10.073 1.00 0.00 C ATOM 730 CG ASN A 52 -9.898 -2.419 -8.573 1.00 0.00 C ATOM 731 OD1 ASN A 52 -10.479 -3.378 -8.063 1.00 0.00 O ATOM 732 ND2 ASN A 52 -9.221 -1.529 -7.857 1.00 0.00 N ATOM 0 H ASN A 52 -9.491 -5.355 -10.151 1.00 0.00 H new ATOM 0 HA ASN A 52 -9.459 -3.197 -11.918 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -9.367 -1.297 -10.317 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.958 -2.029 -10.391 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -9.167 -1.625 -6.843 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.755 -0.750 -8.321 1.00 0.00 H new ATOM 739 N LYS A 53 -7.564 -4.118 -9.383 1.00 0.00 N ATOM 740 CA LYS A 53 -6.179 -4.317 -8.964 1.00 0.00 C ATOM 741 C LYS A 53 -5.410 -2.998 -8.966 1.00 0.00 C ATOM 742 O LYS A 53 -4.185 -2.984 -9.087 1.00 0.00 O ATOM 743 CB LYS A 53 -5.483 -5.323 -9.884 1.00 0.00 C ATOM 744 CG LYS A 53 -6.081 -6.719 -9.828 1.00 0.00 C ATOM 745 CD LYS A 53 -5.972 -7.316 -8.434 1.00 0.00 C ATOM 746 CE LYS A 53 -6.502 -8.740 -8.395 1.00 0.00 C ATOM 747 NZ LYS A 53 -7.932 -8.813 -8.803 1.00 0.00 N ATOM 0 H LYS A 53 -8.259 -4.465 -8.722 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.191 -4.709 -7.947 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.532 -4.958 -10.910 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.428 -5.378 -9.615 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.128 -6.680 -10.127 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.569 -7.364 -10.542 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.930 -7.305 -8.113 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.529 -6.700 -7.729 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.904 -9.368 -9.055 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.391 -9.141 -7.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.417 -9.541 -8.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.386 -7.891 -8.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.993 -9.058 -9.812 1.00 0.00 H new ATOM 761 N GLN A 54 -6.135 -1.891 -8.833 1.00 0.00 N ATOM 762 CA GLN A 54 -5.518 -0.570 -8.821 1.00 0.00 C ATOM 763 C GLN A 54 -5.309 -0.077 -7.392 1.00 0.00 C ATOM 764 O GLN A 54 -5.569 -0.801 -6.431 1.00 0.00 O ATOM 765 CB GLN A 54 -6.383 0.427 -9.595 1.00 0.00 C ATOM 766 CG GLN A 54 -6.589 0.051 -11.053 1.00 0.00 C ATOM 767 CD GLN A 54 -5.285 -0.049 -11.819 1.00 0.00 C ATOM 768 OE1 GLN A 54 -4.535 0.922 -11.922 1.00 0.00 O ATOM 769 NE2 GLN A 54 -5.007 -1.228 -12.363 1.00 0.00 N ATOM 0 H GLN A 54 -7.150 -1.883 -8.732 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.544 -0.648 -9.304 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.355 0.506 -9.108 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.920 1.412 -9.545 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.112 -0.904 -11.108 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.230 0.793 -11.529 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -5.657 -2.006 -12.253 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.144 -1.355 -12.891 1.00 0.00 H new ATOM 778 N ALA A 55 -4.839 1.159 -7.262 1.00 0.00 N ATOM 779 CA ALA A 55 -4.595 1.752 -5.953 1.00 0.00 C ATOM 780 C ALA A 55 -4.557 3.274 -6.040 1.00 0.00 C ATOM 781 O ALA A 55 -3.730 3.921 -5.399 1.00 0.00 O ATOM 782 CB ALA A 55 -3.295 1.221 -5.368 1.00 0.00 C ATOM 0 H ALA A 55 -4.619 1.770 -8.049 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.417 1.472 -5.294 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.125 1.672 -4.390 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.359 0.138 -5.262 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.468 1.472 -6.032 1.00 0.00 H new ATOM 788 N SER A 56 -5.456 3.837 -6.845 1.00 0.00 N ATOM 789 CA SER A 56 -5.532 5.283 -7.031 1.00 0.00 C ATOM 790 C SER A 56 -4.328 5.785 -7.816 1.00 0.00 C ATOM 791 O SER A 56 -3.882 6.918 -7.638 1.00 0.00 O ATOM 792 CB SER A 56 -5.619 6.004 -5.681 1.00 0.00 C ATOM 793 OG SER A 56 -5.743 7.404 -5.858 1.00 0.00 O ATOM 0 H SER A 56 -6.145 3.310 -7.381 1.00 0.00 H new ATOM 0 HA SER A 56 -6.437 5.502 -7.598 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.474 5.628 -5.119 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.729 5.786 -5.091 1.00 0.00 H new ATOM 0 HG SER A 56 -5.119 7.702 -6.553 1.00 0.00 H new ATOM 799 N GLU A 57 -3.808 4.927 -8.686 1.00 0.00 N ATOM 800 CA GLU A 57 -2.655 5.268 -9.507 1.00 0.00 C ATOM 801 C GLU A 57 -1.448 5.620 -8.637 1.00 0.00 C ATOM 802 O GLU A 57 -0.609 4.764 -8.356 1.00 0.00 O ATOM 803 CB GLU A 57 -2.995 6.426 -10.450 1.00 0.00 C ATOM 804 CG GLU A 57 -4.094 6.096 -11.448 1.00 0.00 C ATOM 805 CD GLU A 57 -3.709 4.975 -12.397 1.00 0.00 C ATOM 806 OE1 GLU A 57 -2.568 4.475 -12.297 1.00 0.00 O ATOM 807 OE2 GLU A 57 -4.548 4.601 -13.243 1.00 0.00 O ATOM 0 H GLU A 57 -4.170 3.986 -8.841 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.395 4.396 -10.107 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.301 7.288 -9.857 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.096 6.716 -10.995 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.997 5.814 -10.907 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.334 6.989 -12.026 1.00 0.00 H new ATOM 814 N GLN A 58 -1.360 6.880 -8.213 1.00 0.00 N ATOM 815 CA GLN A 58 -0.250 7.333 -7.378 1.00 0.00 C ATOM 816 C GLN A 58 1.090 6.871 -7.947 1.00 0.00 C ATOM 817 O GLN A 58 2.051 6.660 -7.208 1.00 0.00 O ATOM 818 CB GLN A 58 -0.414 6.812 -5.948 1.00 0.00 C ATOM 819 CG GLN A 58 -1.697 7.270 -5.275 1.00 0.00 C ATOM 820 CD GLN A 58 -1.794 8.780 -5.165 1.00 0.00 C ATOM 821 OE1 GLN A 58 -1.797 9.489 -6.171 1.00 0.00 O ATOM 822 NE2 GLN A 58 -1.873 9.279 -3.937 1.00 0.00 N ATOM 0 H GLN A 58 -2.044 7.604 -8.434 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.262 8.423 -7.367 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.391 5.722 -5.963 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.437 7.141 -5.351 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.552 6.895 -5.838 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.756 6.833 -4.278 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.867 8.654 -3.131 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.940 10.288 -3.800 1.00 0.00 H new ATOM 831 N ASN A 59 1.143 6.713 -9.266 1.00 0.00 N ATOM 832 CA ASN A 59 2.361 6.273 -9.935 1.00 0.00 C ATOM 833 C ASN A 59 2.539 6.990 -11.270 1.00 0.00 C ATOM 834 O ASN A 59 2.978 6.393 -12.253 1.00 0.00 O ATOM 835 CB ASN A 59 2.324 4.760 -10.156 1.00 0.00 C ATOM 836 CG ASN A 59 1.139 4.328 -11.000 1.00 0.00 C ATOM 837 OD1 ASN A 59 0.271 3.503 -10.425 1.00 0.00 O flip ATOM 838 ND2 ASN A 59 1.004 4.734 -12.154 1.00 0.00 N flip ATOM 0 H ASN A 59 0.356 6.883 -9.892 1.00 0.00 H new ATOM 0 HA ASN A 59 3.208 6.521 -9.296 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.247 4.444 -10.642 1.00 0.00 H new ATOM 0 HB3 ASN A 59 2.282 4.255 -9.191 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.695 5.367 -12.556 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.201 4.437 -12.708 1.00 0.00 H new ATOM 845 N TRP A 60 2.195 8.274 -11.297 1.00 0.00 N ATOM 846 CA TRP A 60 2.316 9.072 -12.512 1.00 0.00 C ATOM 847 C TRP A 60 3.254 10.258 -12.301 1.00 0.00 C ATOM 848 O TRP A 60 3.958 10.675 -13.221 1.00 0.00 O ATOM 849 CB TRP A 60 0.941 9.569 -12.960 1.00 0.00 C ATOM 850 CG TRP A 60 0.194 10.291 -11.881 1.00 0.00 C ATOM 851 CD1 TRP A 60 -0.298 9.754 -10.727 1.00 0.00 C ATOM 852 CD2 TRP A 60 -0.137 11.683 -11.851 1.00 0.00 C ATOM 853 NE1 TRP A 60 -0.917 10.726 -9.981 1.00 0.00 N ATOM 854 CE2 TRP A 60 -0.831 11.918 -10.649 1.00 0.00 C ATOM 855 CE3 TRP A 60 0.086 12.754 -12.721 1.00 0.00 C ATOM 856 CZ2 TRP A 60 -1.302 13.178 -10.297 1.00 0.00 C ATOM 857 CZ3 TRP A 60 -0.384 14.005 -12.370 1.00 0.00 C ATOM 858 CH2 TRP A 60 -1.071 14.209 -11.166 1.00 0.00 C ATOM 0 H TRP A 60 1.831 8.784 -10.492 1.00 0.00 H new ATOM 0 HA TRP A 60 2.738 8.436 -13.290 1.00 0.00 H new ATOM 0 HB2 TRP A 60 1.063 10.233 -13.815 1.00 0.00 H new ATOM 0 HB3 TRP A 60 0.347 8.720 -13.298 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -0.213 8.716 -10.442 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -1.367 10.583 -9.077 1.00 0.00 H new ATOM 0 HE3 TRP A 60 0.616 12.606 -13.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -1.832 13.337 -9.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -0.219 14.840 -13.035 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -1.425 15.199 -10.919 1.00 0.00 H new ATOM 869 N ALA A 61 3.260 10.798 -11.086 1.00 0.00 N ATOM 870 CA ALA A 61 4.112 11.934 -10.759 1.00 0.00 C ATOM 871 C ALA A 61 4.657 11.818 -9.340 1.00 0.00 C ATOM 872 O ALA A 61 5.808 11.429 -9.139 1.00 0.00 O ATOM 873 CB ALA A 61 3.344 13.237 -10.929 1.00 0.00 C ATOM 0 H ALA A 61 2.684 10.466 -10.312 1.00 0.00 H new ATOM 0 HA ALA A 61 4.958 11.934 -11.446 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.993 14.077 -10.681 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.009 13.330 -11.962 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.479 13.239 -10.266 1.00 0.00 H new ATOM 879 N ASN A 62 3.821 12.155 -8.359 1.00 0.00 N ATOM 880 CA ASN A 62 4.205 12.089 -6.950 1.00 0.00 C ATOM 881 C ASN A 62 5.261 13.140 -6.605 1.00 0.00 C ATOM 882 O ASN A 62 5.043 13.989 -5.741 1.00 0.00 O ATOM 883 CB ASN A 62 4.719 10.690 -6.598 1.00 0.00 C ATOM 884 CG ASN A 62 3.664 9.620 -6.797 1.00 0.00 C ATOM 885 OD1 ASN A 62 3.164 9.423 -7.905 1.00 0.00 O ATOM 886 ND2 ASN A 62 3.318 8.922 -5.721 1.00 0.00 N ATOM 0 H ASN A 62 2.867 12.479 -8.516 1.00 0.00 H new ATOM 0 HA ASN A 62 3.315 12.300 -6.357 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.588 10.459 -7.215 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.053 10.679 -5.560 1.00 0.00 H new ATOM 0 HD21 ASN A 62 2.612 8.189 -5.794 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.758 9.119 -4.822 1.00 0.00 H new ATOM 893 N TYR A 63 6.403 13.077 -7.281 1.00 0.00 N ATOM 894 CA TYR A 63 7.491 14.021 -7.043 1.00 0.00 C ATOM 895 C TYR A 63 7.896 14.729 -8.333 1.00 0.00 C ATOM 896 O TYR A 63 7.678 15.931 -8.485 1.00 0.00 O ATOM 897 CB TYR A 63 8.697 13.306 -6.416 1.00 0.00 C ATOM 898 CG TYR A 63 8.978 11.937 -7.002 1.00 0.00 C ATOM 899 CD1 TYR A 63 8.062 10.903 -6.858 1.00 0.00 C ATOM 900 CD2 TYR A 63 10.150 11.682 -7.703 1.00 0.00 C ATOM 901 CE1 TYR A 63 8.302 9.655 -7.395 1.00 0.00 C ATOM 902 CE2 TYR A 63 10.399 10.433 -8.243 1.00 0.00 C ATOM 903 CZ TYR A 63 9.472 9.424 -8.087 1.00 0.00 C ATOM 904 OH TYR A 63 9.714 8.181 -8.624 1.00 0.00 O ATOM 0 H TYR A 63 6.600 12.381 -8.000 1.00 0.00 H new ATOM 0 HA TYR A 63 7.135 14.777 -6.343 1.00 0.00 H new ATOM 0 HB2 TYR A 63 9.581 13.931 -6.540 1.00 0.00 H new ATOM 0 HB3 TYR A 63 8.528 13.203 -5.344 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.145 11.079 -6.316 1.00 0.00 H new ATOM 0 HD2 TYR A 63 10.877 12.470 -7.828 1.00 0.00 H new ATOM 0 HE1 TYR A 63 7.577 8.863 -7.274 1.00 0.00 H new ATOM 0 HE2 TYR A 63 11.315 10.249 -8.784 1.00 0.00 H new ATOM 0 HH TYR A 63 9.504 8.192 -9.581 1.00 0.00 H new ATOM 914 N SER A 64 8.479 13.979 -9.260 1.00 0.00 N ATOM 915 CA SER A 64 8.907 14.534 -10.538 1.00 0.00 C ATOM 916 C SER A 64 9.214 13.423 -11.537 1.00 0.00 C ATOM 917 O SER A 64 9.988 13.615 -12.475 1.00 0.00 O ATOM 918 CB SER A 64 10.139 15.422 -10.348 1.00 0.00 C ATOM 919 OG SER A 64 9.855 16.518 -9.497 1.00 0.00 O ATOM 0 H SER A 64 8.667 12.982 -9.150 1.00 0.00 H new ATOM 0 HA SER A 64 8.092 15.139 -10.934 1.00 0.00 H new ATOM 0 HB2 SER A 64 10.954 14.833 -9.927 1.00 0.00 H new ATOM 0 HB3 SER A 64 10.479 15.789 -11.317 1.00 0.00 H new ATOM 0 HG SER A 64 8.884 16.627 -9.417 1.00 0.00 H new ATOM 925 N ALA A 65 8.601 12.258 -11.332 1.00 0.00 N ATOM 926 CA ALA A 65 8.807 11.114 -12.217 1.00 0.00 C ATOM 927 C ALA A 65 10.292 10.877 -12.490 1.00 0.00 C ATOM 928 O ALA A 65 10.662 10.362 -13.544 1.00 0.00 O ATOM 929 CB ALA A 65 8.057 11.323 -13.524 1.00 0.00 C ATOM 0 H ALA A 65 7.958 12.082 -10.560 1.00 0.00 H new ATOM 0 HA ALA A 65 8.416 10.228 -11.717 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.217 10.465 -14.177 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.992 11.429 -13.319 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.424 12.225 -14.014 1.00 0.00 H new ATOM 935 N GLU A 66 11.136 11.259 -11.536 1.00 0.00 N ATOM 936 CA GLU A 66 12.580 11.093 -11.678 1.00 0.00 C ATOM 937 C GLU A 66 12.950 9.636 -11.934 1.00 0.00 C ATOM 938 O GLU A 66 13.758 9.339 -12.814 1.00 0.00 O ATOM 939 CB GLU A 66 13.298 11.596 -10.424 1.00 0.00 C ATOM 940 CG GLU A 66 13.029 13.058 -10.115 1.00 0.00 C ATOM 941 CD GLU A 66 13.461 13.980 -11.238 1.00 0.00 C ATOM 942 OE1 GLU A 66 14.664 13.986 -11.572 1.00 0.00 O ATOM 943 OE2 GLU A 66 12.595 14.696 -11.784 1.00 0.00 O ATOM 0 H GLU A 66 10.846 11.686 -10.656 1.00 0.00 H new ATOM 0 HA GLU A 66 12.898 11.682 -12.538 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.990 10.990 -9.572 1.00 0.00 H new ATOM 0 HB3 GLU A 66 14.371 11.451 -10.547 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.964 13.196 -9.926 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.554 13.335 -9.200 1.00 0.00 H new ATOM 950 N GLN A 67 12.364 8.731 -11.159 1.00 0.00 N ATOM 951 CA GLN A 67 12.645 7.307 -11.305 1.00 0.00 C ATOM 952 C GLN A 67 12.422 6.838 -12.732 1.00 0.00 C ATOM 953 O GLN A 67 13.264 6.147 -13.296 1.00 0.00 O ATOM 954 CB GLN A 67 11.787 6.484 -10.350 1.00 0.00 C ATOM 955 CG GLN A 67 12.059 6.770 -8.882 1.00 0.00 C ATOM 956 CD GLN A 67 13.477 6.425 -8.471 1.00 0.00 C ATOM 957 OE1 GLN A 67 14.442 6.985 -8.991 1.00 0.00 O ATOM 958 NE2 GLN A 67 13.611 5.496 -7.531 1.00 0.00 N ATOM 0 H GLN A 67 11.693 8.957 -10.425 1.00 0.00 H new ATOM 0 HA GLN A 67 13.696 7.158 -11.056 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.736 6.680 -10.560 1.00 0.00 H new ATOM 0 HB3 GLN A 67 11.959 5.425 -10.542 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.874 7.825 -8.681 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.359 6.201 -8.270 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.784 5.057 -7.126 1.00 0.00 H new ATOM 0 HE22 GLN A 67 14.541 5.222 -7.214 1.00 0.00 H new ATOM 967 N ASN A 68 11.294 7.213 -13.321 1.00 0.00 N ATOM 968 CA ASN A 68 11.001 6.814 -14.690 1.00 0.00 C ATOM 969 C ASN A 68 12.159 7.185 -15.598 1.00 0.00 C ATOM 970 O ASN A 68 12.603 6.383 -16.426 1.00 0.00 O ATOM 971 CB ASN A 68 9.707 7.462 -15.180 1.00 0.00 C ATOM 972 CG ASN A 68 8.498 7.011 -14.383 1.00 0.00 C ATOM 973 OD1 ASN A 68 7.823 7.958 -13.744 1.00 0.00 O flip ATOM 974 ND2 ASN A 68 8.176 5.823 -14.342 1.00 0.00 N flip ATOM 0 H ASN A 68 10.575 7.786 -12.878 1.00 0.00 H new ATOM 0 HA ASN A 68 10.866 5.733 -14.715 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.799 8.546 -15.114 1.00 0.00 H new ATOM 0 HB3 ASN A 68 9.557 7.218 -16.232 1.00 0.00 H new ATOM 0 HD21 ASN A 68 8.724 5.128 -14.849 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.361 5.534 -13.801 1.00 0.00 H new ATOM 981 N ARG A 69 12.665 8.393 -15.416 1.00 0.00 N ATOM 982 CA ARG A 69 13.791 8.855 -16.197 1.00 0.00 C ATOM 983 C ARG A 69 14.997 7.965 -15.947 1.00 0.00 C ATOM 984 O ARG A 69 15.682 7.548 -16.881 1.00 0.00 O ATOM 985 CB ARG A 69 14.131 10.302 -15.851 1.00 0.00 C ATOM 986 CG ARG A 69 13.290 11.327 -16.596 1.00 0.00 C ATOM 987 CD ARG A 69 11.811 11.172 -16.281 1.00 0.00 C ATOM 988 NE ARG A 69 10.988 12.122 -17.027 1.00 0.00 N ATOM 989 CZ ARG A 69 10.846 12.105 -18.351 1.00 0.00 C ATOM 990 NH1 ARG A 69 11.429 11.159 -19.077 1.00 0.00 N ATOM 991 NH2 ARG A 69 10.106 13.028 -18.949 1.00 0.00 N ATOM 0 H ARG A 69 12.313 9.067 -14.736 1.00 0.00 H new ATOM 0 HA ARG A 69 13.522 8.806 -17.252 1.00 0.00 H new ATOM 0 HB2 ARG A 69 14.000 10.449 -14.779 1.00 0.00 H new ATOM 0 HB3 ARG A 69 15.183 10.480 -16.071 1.00 0.00 H new ATOM 0 HG2 ARG A 69 13.617 12.331 -16.327 1.00 0.00 H new ATOM 0 HG3 ARG A 69 13.448 11.217 -17.669 1.00 0.00 H new ATOM 0 HD2 ARG A 69 11.495 10.156 -16.517 1.00 0.00 H new ATOM 0 HD3 ARG A 69 11.651 11.316 -15.212 1.00 0.00 H new ATOM 0 HE ARG A 69 10.492 12.842 -16.501 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.990 10.439 -18.621 1.00 0.00 H new ATOM 0 HH12 ARG A 69 11.316 11.152 -20.091 1.00 0.00 H new ATOM 0 HH21 ARG A 69 9.646 13.750 -18.395 1.00 0.00 H new ATOM 0 HH22 ARG A 69 9.997 13.016 -19.963 1.00 0.00 H new ATOM 1005 N MET A 70 15.243 7.671 -14.677 1.00 0.00 N ATOM 1006 CA MET A 70 16.362 6.817 -14.303 1.00 0.00 C ATOM 1007 C MET A 70 16.188 5.431 -14.895 1.00 0.00 C ATOM 1008 O MET A 70 17.160 4.774 -15.268 1.00 0.00 O ATOM 1009 CB MET A 70 16.496 6.730 -12.784 1.00 0.00 C ATOM 1010 CG MET A 70 16.703 8.078 -12.113 1.00 0.00 C ATOM 1011 SD MET A 70 18.192 8.919 -12.686 1.00 0.00 S ATOM 1012 CE MET A 70 19.451 7.732 -12.224 1.00 0.00 C ATOM 0 H MET A 70 14.686 8.009 -13.892 1.00 0.00 H new ATOM 0 HA MET A 70 17.275 7.258 -14.702 1.00 0.00 H new ATOM 0 HB2 MET A 70 15.600 6.264 -12.375 1.00 0.00 H new ATOM 0 HB3 MET A 70 17.335 6.079 -12.538 1.00 0.00 H new ATOM 0 HG2 MET A 70 15.837 8.711 -12.304 1.00 0.00 H new ATOM 0 HG3 MET A 70 16.763 7.937 -11.034 1.00 0.00 H new ATOM 0 HE1 MET A 70 20.423 8.225 -12.195 1.00 0.00 H new ATOM 0 HE2 MET A 70 19.222 7.323 -11.240 1.00 0.00 H new ATOM 0 HE3 MET A 70 19.476 6.925 -12.956 1.00 0.00 H new ATOM 1022 N GLY A 71 14.940 5.005 -15.005 1.00 0.00 N ATOM 1023 CA GLY A 71 14.652 3.715 -15.580 1.00 0.00 C ATOM 1024 C GLY A 71 15.113 3.656 -17.015 1.00 0.00 C ATOM 1025 O GLY A 71 15.816 2.730 -17.419 1.00 0.00 O ATOM 0 H GLY A 71 14.121 5.534 -14.704 1.00 0.00 H new ATOM 0 HA2 GLY A 71 15.147 2.935 -15.002 1.00 0.00 H new ATOM 0 HA3 GLY A 71 13.581 3.519 -15.529 1.00 0.00 H new ATOM 1029 N GLN A 72 14.745 4.681 -17.777 1.00 0.00 N ATOM 1030 CA GLN A 72 15.153 4.781 -19.169 1.00 0.00 C ATOM 1031 C GLN A 72 16.670 4.762 -19.259 1.00 0.00 C ATOM 1032 O GLN A 72 17.265 3.854 -19.836 1.00 0.00 O ATOM 1033 CB GLN A 72 14.625 6.079 -19.776 1.00 0.00 C ATOM 1034 CG GLN A 72 13.130 6.065 -20.046 1.00 0.00 C ATOM 1035 CD GLN A 72 12.637 7.362 -20.657 1.00 0.00 C ATOM 1036 OE1 GLN A 72 13.075 7.760 -21.737 1.00 0.00 O ATOM 1037 NE2 GLN A 72 11.719 8.030 -19.968 1.00 0.00 N ATOM 0 H GLN A 72 14.164 5.454 -17.451 1.00 0.00 H new ATOM 0 HA GLN A 72 14.744 3.935 -19.720 1.00 0.00 H new ATOM 0 HB2 GLN A 72 14.856 6.904 -19.103 1.00 0.00 H new ATOM 0 HB3 GLN A 72 15.152 6.273 -20.710 1.00 0.00 H new ATOM 0 HG2 GLN A 72 12.893 5.239 -20.716 1.00 0.00 H new ATOM 0 HG3 GLN A 72 12.597 5.881 -19.113 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.384 7.664 -19.077 1.00 0.00 H new ATOM 0 HE22 GLN A 72 11.349 8.909 -20.330 1.00 0.00 H new ATOM 1046 N ALA A 73 17.277 5.781 -18.663 1.00 0.00 N ATOM 1047 CA ALA A 73 18.731 5.928 -18.631 1.00 0.00 C ATOM 1048 C ALA A 73 19.431 4.584 -18.439 1.00 0.00 C ATOM 1049 O ALA A 73 20.384 4.262 -19.148 1.00 0.00 O ATOM 1050 CB ALA A 73 19.128 6.887 -17.516 1.00 0.00 C ATOM 0 H ALA A 73 16.776 6.531 -18.187 1.00 0.00 H new ATOM 0 HA ALA A 73 19.048 6.332 -19.592 1.00 0.00 H new ATOM 0 HB1 ALA A 73 20.213 6.993 -17.496 1.00 0.00 H new ATOM 0 HB2 ALA A 73 18.671 7.861 -17.694 1.00 0.00 H new ATOM 0 HB3 ALA A 73 18.784 6.494 -16.559 1.00 0.00 H new ATOM 1056 N GLY A 74 18.952 3.807 -17.473 1.00 0.00 N ATOM 1057 CA GLY A 74 19.543 2.510 -17.203 1.00 0.00 C ATOM 1058 C GLY A 74 19.302 1.515 -18.322 1.00 0.00 C ATOM 1059 O GLY A 74 20.169 0.699 -18.632 1.00 0.00 O ATOM 0 H GLY A 74 18.165 4.053 -16.872 1.00 0.00 H new ATOM 0 HA2 GLY A 74 20.616 2.628 -17.052 1.00 0.00 H new ATOM 0 HA3 GLY A 74 19.132 2.114 -16.275 1.00 0.00 H new ATOM 1063 N SER A 75 18.122 1.583 -18.928 1.00 0.00 N ATOM 1064 CA SER A 75 17.771 0.679 -20.018 1.00 0.00 C ATOM 1065 C SER A 75 18.511 1.054 -21.299 1.00 0.00 C ATOM 1066 O SER A 75 18.807 0.195 -22.130 1.00 0.00 O ATOM 1067 CB SER A 75 16.261 0.704 -20.263 1.00 0.00 C ATOM 1068 OG SER A 75 15.900 -0.169 -21.319 1.00 0.00 O ATOM 0 H SER A 75 17.393 2.253 -18.684 1.00 0.00 H new ATOM 0 HA SER A 75 18.070 -0.329 -19.730 1.00 0.00 H new ATOM 0 HB2 SER A 75 15.737 0.414 -19.352 1.00 0.00 H new ATOM 0 HB3 SER A 75 15.945 1.719 -20.503 1.00 0.00 H new ATOM 0 HG SER A 75 14.930 -0.135 -21.454 1.00 0.00 H new ATOM 1074 N THR A 76 18.801 2.344 -21.451 1.00 0.00 N ATOM 1075 CA THR A 76 19.505 2.850 -22.627 1.00 0.00 C ATOM 1076 C THR A 76 18.820 2.423 -23.925 1.00 0.00 C ATOM 1077 O THR A 76 19.434 2.453 -24.991 1.00 0.00 O ATOM 1078 CB THR A 76 20.959 2.370 -22.627 1.00 0.00 C ATOM 1079 OG1 THR A 76 21.026 0.956 -22.672 1.00 0.00 O ATOM 1080 CG2 THR A 76 21.739 2.828 -21.414 1.00 0.00 C ATOM 0 H THR A 76 18.557 3.063 -20.769 1.00 0.00 H new ATOM 0 HA THR A 76 19.482 3.939 -22.576 1.00 0.00 H new ATOM 0 HB THR A 76 21.406 2.812 -23.517 1.00 0.00 H new ATOM 0 HG1 THR A 76 20.149 0.595 -22.920 1.00 0.00 H new ATOM 0 HG21 THR A 76 22.761 2.454 -21.476 1.00 0.00 H new ATOM 0 HG22 THR A 76 21.753 3.917 -21.380 1.00 0.00 H new ATOM 0 HG23 THR A 76 21.266 2.443 -20.511 1.00 0.00 H new ATOM 1088 N ILE A 77 17.546 2.032 -23.830 1.00 0.00 N ATOM 1089 CA ILE A 77 16.772 1.601 -24.996 1.00 0.00 C ATOM 1090 C ILE A 77 17.625 0.804 -25.981 1.00 0.00 C ATOM 1091 O ILE A 77 18.278 1.374 -26.855 1.00 0.00 O ATOM 1092 CB ILE A 77 16.145 2.804 -25.727 1.00 0.00 C ATOM 1093 CG1 ILE A 77 15.255 3.593 -24.768 1.00 0.00 C ATOM 1094 CG2 ILE A 77 15.347 2.343 -26.941 1.00 0.00 C ATOM 1095 CD1 ILE A 77 14.142 2.768 -24.160 1.00 0.00 C ATOM 0 H ILE A 77 17.027 2.005 -22.952 1.00 0.00 H new ATOM 0 HA ILE A 77 15.979 0.956 -24.619 1.00 0.00 H new ATOM 0 HB ILE A 77 16.947 3.454 -26.077 1.00 0.00 H new ATOM 0 HG12 ILE A 77 15.871 4.003 -23.968 1.00 0.00 H new ATOM 0 HG13 ILE A 77 14.820 4.439 -25.301 1.00 0.00 H new ATOM 0 HG21 ILE A 77 14.913 3.209 -27.442 1.00 0.00 H new ATOM 0 HG22 ILE A 77 16.006 1.817 -27.631 1.00 0.00 H new ATOM 0 HG23 ILE A 77 14.550 1.673 -26.619 1.00 0.00 H new ATOM 0 HD11 ILE A 77 13.551 3.392 -23.490 1.00 0.00 H new ATOM 0 HD12 ILE A 77 13.503 2.379 -24.953 1.00 0.00 H new ATOM 0 HD13 ILE A 77 14.570 1.937 -23.599 1.00 0.00 H new ATOM 1107 N SER A 78 17.609 -0.514 -25.835 1.00 0.00 N ATOM 1108 CA SER A 78 18.376 -1.386 -26.713 1.00 0.00 C ATOM 1109 C SER A 78 17.571 -2.624 -27.090 1.00 0.00 C ATOM 1110 O SER A 78 18.125 -3.612 -27.572 1.00 0.00 O ATOM 1111 CB SER A 78 19.685 -1.801 -26.038 1.00 0.00 C ATOM 1112 OG SER A 78 20.443 -2.655 -26.876 1.00 0.00 O ATOM 0 H SER A 78 17.073 -1.002 -25.117 1.00 0.00 H new ATOM 0 HA SER A 78 18.604 -0.832 -27.624 1.00 0.00 H new ATOM 0 HB2 SER A 78 20.269 -0.914 -25.794 1.00 0.00 H new ATOM 0 HB3 SER A 78 19.468 -2.308 -25.098 1.00 0.00 H new ATOM 0 HG SER A 78 19.857 -3.341 -27.260 1.00 0.00 H new ATOM 1118 N ASN A 79 16.260 -2.569 -26.869 1.00 0.00 N ATOM 1119 CA ASN A 79 15.393 -3.693 -27.191 1.00 0.00 C ATOM 1120 C ASN A 79 13.919 -3.317 -27.059 1.00 0.00 C ATOM 1121 O ASN A 79 13.139 -3.498 -27.995 1.00 0.00 O ATOM 1122 CB ASN A 79 15.739 -4.890 -26.301 1.00 0.00 C ATOM 1123 CG ASN A 79 15.613 -4.593 -24.818 1.00 0.00 C ATOM 1124 OD1 ASN A 79 14.517 -4.374 -24.304 1.00 0.00 O ATOM 1125 ND2 ASN A 79 16.743 -4.583 -24.120 1.00 0.00 N ATOM 0 H ASN A 79 15.779 -1.762 -26.471 1.00 0.00 H new ATOM 0 HA ASN A 79 15.561 -3.970 -28.232 1.00 0.00 H new ATOM 0 HB2 ASN A 79 15.084 -5.723 -26.554 1.00 0.00 H new ATOM 0 HB3 ASN A 79 16.759 -5.210 -26.515 1.00 0.00 H new ATOM 0 HD21 ASN A 79 16.722 -4.389 -23.119 1.00 0.00 H new ATOM 0 HD22 ASN A 79 17.631 -4.770 -24.585 1.00 0.00 H new ATOM 1132 N SER A 80 13.541 -2.799 -25.898 1.00 0.00 N ATOM 1133 CA SER A 80 12.161 -2.402 -25.646 1.00 0.00 C ATOM 1134 C SER A 80 11.249 -3.618 -25.674 1.00 0.00 C ATOM 1135 O SER A 80 10.134 -3.566 -26.194 1.00 0.00 O ATOM 1136 CB SER A 80 11.698 -1.372 -26.680 1.00 0.00 C ATOM 1137 OG SER A 80 10.359 -0.974 -26.440 1.00 0.00 O ATOM 0 H SER A 80 14.173 -2.643 -25.113 1.00 0.00 H new ATOM 0 HA SER A 80 12.110 -1.946 -24.657 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.351 -0.500 -26.647 1.00 0.00 H new ATOM 0 HB3 SER A 80 11.781 -1.795 -27.681 1.00 0.00 H new ATOM 0 HG SER A 80 9.793 -1.769 -26.348 1.00 0.00 H new ATOM 1143 N HIS A 81 11.740 -4.716 -25.115 1.00 0.00 N ATOM 1144 CA HIS A 81 10.986 -5.959 -25.073 1.00 0.00 C ATOM 1145 C HIS A 81 10.266 -6.124 -23.739 1.00 0.00 C ATOM 1146 O HIS A 81 10.094 -7.241 -23.254 1.00 0.00 O ATOM 1147 CB HIS A 81 11.923 -7.144 -25.308 1.00 0.00 C ATOM 1148 CG HIS A 81 13.058 -7.215 -24.333 1.00 0.00 C ATOM 1149 ND1 HIS A 81 14.395 -7.291 -24.535 1.00 0.00 N flip ATOM 1150 CD2 HIS A 81 12.880 -7.215 -22.965 1.00 0.00 C flip ATOM 1151 CE1 HIS A 81 14.992 -7.331 -23.300 1.00 0.00 C flip ATOM 1152 NE2 HIS A 81 14.056 -7.282 -22.370 1.00 0.00 N flip ATOM 0 H HIS A 81 12.662 -4.770 -24.683 1.00 0.00 H new ATOM 0 HA HIS A 81 10.235 -5.926 -25.862 1.00 0.00 H new ATOM 0 HB2 HIS A 81 11.348 -8.068 -25.251 1.00 0.00 H new ATOM 0 HB3 HIS A 81 12.327 -7.082 -26.319 1.00 0.00 H new ATOM 0 HD2 HIS A 81 11.927 -7.168 -22.460 1.00 0.00 H new ATOM 0 HE1 HIS A 81 16.055 -7.393 -23.118 1.00 0.00 H new ATOM 0 HE2 HIS A 81 14.215 -7.294 -21.363 1.00 0.00 H new ATOM 1161 N ALA A 82 9.848 -5.010 -23.148 1.00 0.00 N ATOM 1162 CA ALA A 82 9.149 -5.046 -21.868 1.00 0.00 C ATOM 1163 C ALA A 82 7.713 -5.528 -22.039 1.00 0.00 C ATOM 1164 O ALA A 82 6.761 -4.800 -21.758 1.00 0.00 O ATOM 1165 CB ALA A 82 9.176 -3.673 -21.212 1.00 0.00 C ATOM 0 H ALA A 82 9.980 -4.075 -23.533 1.00 0.00 H new ATOM 0 HA ALA A 82 9.665 -5.754 -21.220 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.651 -3.715 -20.258 1.00 0.00 H new ATOM 0 HB2 ALA A 82 10.210 -3.370 -21.044 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.687 -2.949 -21.864 1.00 0.00 H new ATOM 1171 N GLN A 83 7.570 -6.766 -22.496 1.00 0.00 N ATOM 1172 CA GLN A 83 6.255 -7.361 -22.701 1.00 0.00 C ATOM 1173 C GLN A 83 6.071 -8.603 -21.826 1.00 0.00 C ATOM 1174 O GLN A 83 5.165 -8.643 -20.994 1.00 0.00 O ATOM 1175 CB GLN A 83 6.034 -7.696 -24.180 1.00 0.00 C ATOM 1176 CG GLN A 83 5.945 -6.469 -25.072 1.00 0.00 C ATOM 1177 CD GLN A 83 5.722 -6.823 -26.529 1.00 0.00 C ATOM 1178 OE1 GLN A 83 6.535 -7.514 -27.144 1.00 0.00 O ATOM 1179 NE2 GLN A 83 4.615 -6.350 -27.090 1.00 0.00 N ATOM 0 H GLN A 83 8.350 -7.379 -22.732 1.00 0.00 H new ATOM 0 HA GLN A 83 5.504 -6.629 -22.403 1.00 0.00 H new ATOM 0 HB2 GLN A 83 6.850 -8.329 -24.527 1.00 0.00 H new ATOM 0 HB3 GLN A 83 5.116 -8.276 -24.280 1.00 0.00 H new ATOM 0 HG2 GLN A 83 5.130 -5.832 -24.728 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.863 -5.889 -24.979 1.00 0.00 H new ATOM 0 HE21 GLN A 83 3.969 -5.781 -26.543 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.411 -6.555 -28.068 1.00 0.00 H new ATOM 1188 N PRO A 84 6.926 -9.636 -21.982 1.00 0.00 N ATOM 1189 CA PRO A 84 6.825 -10.850 -21.178 1.00 0.00 C ATOM 1190 C PRO A 84 7.450 -10.681 -19.797 1.00 0.00 C ATOM 1191 O PRO A 84 7.209 -11.484 -18.896 1.00 0.00 O ATOM 1192 CB PRO A 84 7.602 -11.873 -21.998 1.00 0.00 C ATOM 1193 CG PRO A 84 8.646 -11.075 -22.697 1.00 0.00 C ATOM 1194 CD PRO A 84 8.055 -9.707 -22.934 1.00 0.00 C ATOM 0 HA PRO A 84 5.790 -11.134 -20.986 1.00 0.00 H new ATOM 0 HB2 PRO A 84 8.047 -12.637 -21.361 1.00 0.00 H new ATOM 0 HB3 PRO A 84 6.954 -12.387 -22.708 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.551 -11.007 -22.093 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.926 -11.545 -23.640 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.785 -8.919 -22.747 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.717 -9.591 -23.964 1.00 0.00 H new ATOM 1202 N PHE A 85 8.246 -9.625 -19.629 1.00 0.00 N ATOM 1203 CA PHE A 85 8.889 -9.357 -18.349 1.00 0.00 C ATOM 1204 C PHE A 85 7.945 -8.589 -17.435 1.00 0.00 C ATOM 1205 O PHE A 85 7.938 -8.794 -16.221 1.00 0.00 O ATOM 1206 CB PHE A 85 10.183 -8.563 -18.545 1.00 0.00 C ATOM 1207 CG PHE A 85 11.243 -9.306 -19.309 1.00 0.00 C ATOM 1208 CD1 PHE A 85 11.047 -9.656 -20.635 1.00 0.00 C ATOM 1209 CD2 PHE A 85 12.436 -9.657 -18.697 1.00 0.00 C ATOM 1210 CE1 PHE A 85 12.020 -10.341 -21.337 1.00 0.00 C ATOM 1211 CE2 PHE A 85 13.413 -10.342 -19.394 1.00 0.00 C ATOM 1212 CZ PHE A 85 13.205 -10.684 -20.716 1.00 0.00 C ATOM 0 H PHE A 85 8.458 -8.947 -20.360 1.00 0.00 H new ATOM 0 HA PHE A 85 9.135 -10.313 -17.887 1.00 0.00 H new ATOM 0 HB2 PHE A 85 9.953 -7.636 -19.070 1.00 0.00 H new ATOM 0 HB3 PHE A 85 10.580 -8.286 -17.568 1.00 0.00 H new ATOM 0 HD1 PHE A 85 10.122 -9.390 -21.126 1.00 0.00 H new ATOM 0 HD2 PHE A 85 12.604 -9.392 -17.664 1.00 0.00 H new ATOM 0 HE1 PHE A 85 11.854 -10.608 -22.370 1.00 0.00 H new ATOM 0 HE2 PHE A 85 14.338 -10.610 -18.906 1.00 0.00 H new ATOM 0 HZ PHE A 85 13.968 -11.219 -21.263 1.00 0.00 H new ATOM 1222 N ASP A 86 7.144 -7.707 -18.035 1.00 0.00 N ATOM 1223 CA ASP A 86 6.176 -6.891 -17.297 1.00 0.00 C ATOM 1224 C ASP A 86 6.717 -6.483 -15.932 1.00 0.00 C ATOM 1225 O ASP A 86 5.982 -6.428 -14.946 1.00 0.00 O ATOM 1226 CB ASP A 86 4.860 -7.646 -17.138 1.00 0.00 C ATOM 1227 CG ASP A 86 4.990 -8.891 -16.280 1.00 0.00 C ATOM 1228 OD1 ASP A 86 5.705 -9.827 -16.693 1.00 0.00 O ATOM 1229 OD2 ASP A 86 4.376 -8.928 -15.193 1.00 0.00 O ATOM 0 H ASP A 86 7.147 -7.538 -19.041 1.00 0.00 H new ATOM 0 HA ASP A 86 5.999 -5.982 -17.872 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.118 -6.982 -16.695 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.488 -7.928 -18.123 1.00 0.00 H new ATOM 1234 N PHE A 87 8.011 -6.209 -15.895 1.00 0.00 N ATOM 1235 CA PHE A 87 8.682 -5.811 -14.660 1.00 0.00 C ATOM 1236 C PHE A 87 9.015 -4.318 -14.654 1.00 0.00 C ATOM 1237 O PHE A 87 10.180 -3.931 -14.746 1.00 0.00 O ATOM 1238 CB PHE A 87 9.957 -6.642 -14.450 1.00 0.00 C ATOM 1239 CG PHE A 87 10.997 -6.523 -15.542 1.00 0.00 C ATOM 1240 CD1 PHE A 87 10.820 -5.680 -16.633 1.00 0.00 C ATOM 1241 CD2 PHE A 87 12.165 -7.267 -15.466 1.00 0.00 C ATOM 1242 CE1 PHE A 87 11.784 -5.586 -17.619 1.00 0.00 C ATOM 1243 CE2 PHE A 87 13.131 -7.176 -16.450 1.00 0.00 C ATOM 1244 CZ PHE A 87 12.940 -6.334 -17.528 1.00 0.00 C ATOM 0 H PHE A 87 8.624 -6.254 -16.709 1.00 0.00 H new ATOM 0 HA PHE A 87 7.994 -6.001 -13.836 1.00 0.00 H new ATOM 0 HB2 PHE A 87 10.412 -6.346 -13.505 1.00 0.00 H new ATOM 0 HB3 PHE A 87 9.675 -7.690 -14.353 1.00 0.00 H new ATOM 0 HD1 PHE A 87 9.918 -5.091 -16.711 1.00 0.00 H new ATOM 0 HD2 PHE A 87 12.322 -7.927 -14.626 1.00 0.00 H new ATOM 0 HE1 PHE A 87 11.632 -4.927 -18.461 1.00 0.00 H new ATOM 0 HE2 PHE A 87 14.035 -7.763 -16.376 1.00 0.00 H new ATOM 0 HZ PHE A 87 13.694 -6.261 -18.298 1.00 0.00 H new ATOM 1254 N PRO A 88 7.991 -3.454 -14.537 1.00 0.00 N ATOM 1255 CA PRO A 88 8.184 -2.001 -14.514 1.00 0.00 C ATOM 1256 C PRO A 88 9.049 -1.555 -13.341 1.00 0.00 C ATOM 1257 O PRO A 88 8.699 -1.783 -12.183 1.00 0.00 O ATOM 1258 CB PRO A 88 6.762 -1.443 -14.374 1.00 0.00 C ATOM 1259 CG PRO A 88 5.950 -2.576 -13.849 1.00 0.00 C ATOM 1260 CD PRO A 88 6.572 -3.821 -14.409 1.00 0.00 C ATOM 0 HA PRO A 88 8.702 -1.648 -15.406 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.738 -0.592 -13.693 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.379 -1.095 -15.333 1.00 0.00 H new ATOM 0 HG2 PRO A 88 5.959 -2.591 -12.759 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.909 -2.486 -14.158 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.434 -4.675 -13.745 1.00 0.00 H new ATOM 0 HD3 PRO A 88 6.137 -4.092 -15.371 1.00 0.00 H new ATOM 1268 N ASP A 89 10.182 -0.926 -13.647 1.00 0.00 N ATOM 1269 CA ASP A 89 11.108 -0.450 -12.619 1.00 0.00 C ATOM 1270 C ASP A 89 11.821 -1.618 -11.942 1.00 0.00 C ATOM 1271 O ASP A 89 13.050 -1.670 -11.909 1.00 0.00 O ATOM 1272 CB ASP A 89 10.373 0.393 -11.572 1.00 0.00 C ATOM 1273 CG ASP A 89 9.656 1.583 -12.183 1.00 0.00 C ATOM 1274 OD1 ASP A 89 9.730 1.751 -13.419 1.00 0.00 O ATOM 1275 OD2 ASP A 89 9.022 2.346 -11.425 1.00 0.00 O ATOM 0 H ASP A 89 10.483 -0.733 -14.602 1.00 0.00 H new ATOM 0 HA ASP A 89 11.855 0.175 -13.110 1.00 0.00 H new ATOM 0 HB2 ASP A 89 9.650 -0.233 -11.048 1.00 0.00 H new ATOM 0 HB3 ASP A 89 11.087 0.746 -10.828 1.00 0.00 H new ATOM 1280 N ASP A 90 11.044 -2.554 -11.405 1.00 0.00 N ATOM 1281 CA ASP A 90 11.605 -3.719 -10.730 1.00 0.00 C ATOM 1282 C ASP A 90 12.508 -3.296 -9.575 1.00 0.00 C ATOM 1283 O ASP A 90 13.596 -3.840 -9.389 1.00 0.00 O ATOM 1284 CB ASP A 90 12.390 -4.578 -11.724 1.00 0.00 C ATOM 1285 CG ASP A 90 12.937 -5.844 -11.093 1.00 0.00 C ATOM 1286 OD1 ASP A 90 12.128 -6.657 -10.597 1.00 0.00 O ATOM 1287 OD2 ASP A 90 14.173 -6.023 -11.095 1.00 0.00 O ATOM 0 H ASP A 90 10.025 -2.528 -11.424 1.00 0.00 H new ATOM 0 HA ASP A 90 10.782 -4.307 -10.324 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.743 -4.843 -12.560 1.00 0.00 H new ATOM 0 HB3 ASP A 90 13.215 -3.994 -12.132 1.00 0.00 H new ATOM 1292 N ASN A 91 12.048 -2.318 -8.801 1.00 0.00 N ATOM 1293 CA ASN A 91 12.813 -1.819 -7.664 1.00 0.00 C ATOM 1294 C ASN A 91 12.136 -2.186 -6.347 1.00 0.00 C ATOM 1295 O ASN A 91 12.802 -2.515 -5.366 1.00 0.00 O ATOM 1296 CB ASN A 91 12.978 -0.301 -7.760 1.00 0.00 C ATOM 1297 CG ASN A 91 11.647 0.425 -7.771 1.00 0.00 C ATOM 1298 OD1 ASN A 91 10.818 0.214 -8.655 1.00 0.00 O ATOM 1299 ND2 ASN A 91 11.436 1.288 -6.783 1.00 0.00 N ATOM 0 H ASN A 91 11.150 -1.856 -8.940 1.00 0.00 H new ATOM 0 HA ASN A 91 13.797 -2.287 -7.688 1.00 0.00 H new ATOM 0 HB2 ASN A 91 13.574 0.051 -6.918 1.00 0.00 H new ATOM 0 HB3 ASN A 91 13.531 -0.055 -8.667 1.00 0.00 H new ATOM 0 HD21 ASN A 91 10.559 1.806 -6.737 1.00 0.00 H new ATOM 0 HD22 ASN A 91 12.151 1.432 -6.070 1.00 0.00 H new ATOM 1306 N GLN A 92 10.808 -2.126 -6.333 1.00 0.00 N ATOM 1307 CA GLN A 92 10.042 -2.452 -5.136 1.00 0.00 C ATOM 1308 C GLN A 92 10.198 -3.926 -4.775 1.00 0.00 C ATOM 1309 O GLN A 92 10.573 -4.268 -3.653 1.00 0.00 O ATOM 1310 CB GLN A 92 8.564 -2.118 -5.344 1.00 0.00 C ATOM 1311 CG GLN A 92 8.308 -0.651 -5.648 1.00 0.00 C ATOM 1312 CD GLN A 92 6.837 -0.346 -5.851 1.00 0.00 C ATOM 1313 OE1 GLN A 92 6.019 -0.555 -4.956 1.00 0.00 O ATOM 1314 NE2 GLN A 92 6.493 0.152 -7.033 1.00 0.00 N ATOM 0 H GLN A 92 10.241 -1.855 -7.136 1.00 0.00 H new ATOM 0 HA GLN A 92 10.429 -1.852 -4.312 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.175 -2.723 -6.163 1.00 0.00 H new ATOM 0 HB3 GLN A 92 8.008 -2.397 -4.449 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.692 -0.042 -4.830 1.00 0.00 H new ATOM 0 HG3 GLN A 92 8.861 -0.367 -6.543 1.00 0.00 H new ATOM 0 HE21 GLN A 92 7.205 0.309 -7.747 1.00 0.00 H new ATOM 0 HE22 GLN A 92 5.517 0.377 -7.227 1.00 0.00 H new ATOM 1323 N ASN A 93 9.911 -4.795 -5.735 1.00 0.00 N ATOM 1324 CA ASN A 93 10.023 -6.232 -5.520 1.00 0.00 C ATOM 1325 C ASN A 93 11.481 -6.651 -5.340 1.00 0.00 C ATOM 1326 O ASN A 93 11.765 -7.768 -4.908 1.00 0.00 O ATOM 1327 CB ASN A 93 9.405 -6.993 -6.694 1.00 0.00 C ATOM 1328 CG ASN A 93 10.078 -6.668 -8.012 1.00 0.00 C ATOM 1329 OD1 ASN A 93 11.276 -6.895 -8.183 1.00 0.00 O ATOM 1330 ND2 ASN A 93 9.310 -6.130 -8.952 1.00 0.00 N ATOM 0 H ASN A 93 9.599 -4.531 -6.669 1.00 0.00 H new ATOM 0 HA ASN A 93 9.481 -6.477 -4.607 1.00 0.00 H new ATOM 0 HB2 ASN A 93 9.477 -8.064 -6.507 1.00 0.00 H new ATOM 0 HB3 ASN A 93 8.344 -6.752 -6.762 1.00 0.00 H new ATOM 0 HD21 ASN A 93 9.708 -5.888 -9.859 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.322 -5.959 -8.767 1.00 0.00 H new ATOM 1337 N ALA A 94 12.404 -5.751 -5.675 1.00 0.00 N ATOM 1338 CA ALA A 94 13.828 -6.035 -5.551 1.00 0.00 C ATOM 1339 C ALA A 94 14.397 -5.493 -4.243 1.00 0.00 C ATOM 1340 O ALA A 94 15.435 -5.958 -3.772 1.00 0.00 O ATOM 1341 CB ALA A 94 14.584 -5.454 -6.736 1.00 0.00 C ATOM 0 H ALA A 94 12.189 -4.821 -6.034 1.00 0.00 H new ATOM 0 HA ALA A 94 13.953 -7.118 -5.543 1.00 0.00 H new ATOM 0 HB1 ALA A 94 15.647 -5.673 -6.632 1.00 0.00 H new ATOM 0 HB2 ALA A 94 14.211 -5.898 -7.659 1.00 0.00 H new ATOM 0 HB3 ALA A 94 14.437 -4.374 -6.767 1.00 0.00 H new ATOM 1347 N LYS A 95 13.721 -4.506 -3.659 1.00 0.00 N ATOM 1348 CA LYS A 95 14.179 -3.912 -2.407 1.00 0.00 C ATOM 1349 C LYS A 95 13.592 -4.643 -1.206 1.00 0.00 C ATOM 1350 O LYS A 95 14.285 -4.890 -0.219 1.00 0.00 O ATOM 1351 CB LYS A 95 13.805 -2.432 -2.342 1.00 0.00 C ATOM 1352 CG LYS A 95 12.307 -2.180 -2.295 1.00 0.00 C ATOM 1353 CD LYS A 95 11.993 -0.694 -2.249 1.00 0.00 C ATOM 1354 CE LYS A 95 10.519 -0.441 -1.976 1.00 0.00 C ATOM 1355 NZ LYS A 95 10.090 -1.019 -0.672 1.00 0.00 N ATOM 0 H LYS A 95 12.860 -4.104 -4.030 1.00 0.00 H new ATOM 0 HA LYS A 95 15.264 -4.006 -2.376 1.00 0.00 H new ATOM 0 HB2 LYS A 95 14.267 -1.989 -1.460 1.00 0.00 H new ATOM 0 HB3 LYS A 95 14.223 -1.923 -3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 95 11.834 -2.626 -3.170 1.00 0.00 H new ATOM 0 HG3 LYS A 95 11.882 -2.670 -1.419 1.00 0.00 H new ATOM 0 HD2 LYS A 95 12.594 -0.219 -1.474 1.00 0.00 H new ATOM 0 HD3 LYS A 95 12.272 -0.233 -3.196 1.00 0.00 H new ATOM 0 HE2 LYS A 95 10.328 0.632 -1.978 1.00 0.00 H new ATOM 0 HE3 LYS A 95 9.921 -0.873 -2.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 9.203 -0.569 -0.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.941 -2.043 -0.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.827 -0.849 0.042 1.00 0.00 H new ATOM 1369 N LYS A 96 12.312 -4.991 -1.296 1.00 0.00 N ATOM 1370 CA LYS A 96 11.637 -5.699 -0.214 1.00 0.00 C ATOM 1371 C LYS A 96 12.378 -6.984 0.152 1.00 0.00 C ATOM 1372 O LYS A 96 12.170 -7.545 1.228 1.00 0.00 O ATOM 1373 CB LYS A 96 10.195 -6.025 -0.608 1.00 0.00 C ATOM 1374 CG LYS A 96 9.333 -4.794 -0.833 1.00 0.00 C ATOM 1375 CD LYS A 96 7.918 -5.170 -1.245 1.00 0.00 C ATOM 1376 CE LYS A 96 7.904 -5.966 -2.540 1.00 0.00 C ATOM 1377 NZ LYS A 96 6.520 -6.320 -2.960 1.00 0.00 N ATOM 0 H LYS A 96 11.723 -4.795 -2.105 1.00 0.00 H new ATOM 0 HA LYS A 96 11.631 -5.046 0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 96 10.203 -6.624 -1.518 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.743 -6.637 0.173 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.301 -4.199 0.080 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.784 -4.169 -1.604 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.451 -5.755 -0.453 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.322 -4.266 -1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 96 8.385 -5.386 -3.328 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.489 -6.877 -2.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 6.554 -6.862 -3.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.069 -6.895 -2.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.969 -5.450 -3.107 1.00 0.00 H new ATOM 1391 N VAL A 97 13.244 -7.447 -0.748 1.00 0.00 N ATOM 1392 CA VAL A 97 14.012 -8.664 -0.514 1.00 0.00 C ATOM 1393 C VAL A 97 14.842 -8.552 0.762 1.00 0.00 C ATOM 1394 O VAL A 97 15.112 -9.550 1.430 1.00 0.00 O ATOM 1395 CB VAL A 97 14.947 -8.972 -1.700 1.00 0.00 C ATOM 1396 CG1 VAL A 97 15.968 -7.859 -1.880 1.00 0.00 C ATOM 1397 CG2 VAL A 97 15.636 -10.316 -1.506 1.00 0.00 C ATOM 0 H VAL A 97 13.430 -6.997 -1.644 1.00 0.00 H new ATOM 0 HA VAL A 97 13.295 -9.478 -0.406 1.00 0.00 H new ATOM 0 HB VAL A 97 14.345 -9.029 -2.607 1.00 0.00 H new ATOM 0 HG11 VAL A 97 16.619 -8.095 -2.722 1.00 0.00 H new ATOM 0 HG12 VAL A 97 15.451 -6.919 -2.073 1.00 0.00 H new ATOM 0 HG13 VAL A 97 16.567 -7.764 -0.974 1.00 0.00 H new ATOM 0 HG21 VAL A 97 16.291 -10.515 -2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 97 16.225 -10.294 -0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 97 14.885 -11.103 -1.436 1.00 0.00 H new ATOM 1407 N ALA A 98 15.243 -7.330 1.093 1.00 0.00 N ATOM 1408 CA ALA A 98 16.041 -7.084 2.287 1.00 0.00 C ATOM 1409 C ALA A 98 15.261 -6.262 3.305 1.00 0.00 C ATOM 1410 O ALA A 98 15.261 -6.568 4.498 1.00 0.00 O ATOM 1411 CB ALA A 98 17.338 -6.381 1.920 1.00 0.00 C ATOM 0 H ALA A 98 15.028 -6.494 0.550 1.00 0.00 H new ATOM 0 HA ALA A 98 16.280 -8.046 2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 98 17.924 -6.204 2.822 1.00 0.00 H new ATOM 0 HB2 ALA A 98 17.909 -7.006 1.234 1.00 0.00 H new ATOM 0 HB3 ALA A 98 17.112 -5.428 1.441 1.00 0.00 H new ATOM 1417 N ALA A 99 14.598 -5.215 2.826 1.00 0.00 N ATOM 1418 CA ALA A 99 13.814 -4.346 3.690 1.00 0.00 C ATOM 1419 C ALA A 99 12.436 -4.939 3.966 1.00 0.00 C ATOM 1420 O ALA A 99 11.412 -4.322 3.671 1.00 0.00 O ATOM 1421 CB ALA A 99 13.682 -2.967 3.066 1.00 0.00 C ATOM 0 H ALA A 99 14.589 -4.949 1.841 1.00 0.00 H new ATOM 0 HA ALA A 99 14.336 -4.255 4.643 1.00 0.00 H new ATOM 0 HB1 ALA A 99 13.093 -2.326 3.722 1.00 0.00 H new ATOM 0 HB2 ALA A 99 14.673 -2.534 2.928 1.00 0.00 H new ATOM 0 HB3 ALA A 99 13.185 -3.051 2.099 1.00 0.00 H new ATOM 1427 N GLY A 100 12.418 -6.140 4.532 1.00 0.00 N ATOM 1428 CA GLY A 100 11.160 -6.795 4.835 1.00 0.00 C ATOM 1429 C GLY A 100 11.284 -8.302 4.844 1.00 0.00 C ATOM 1430 O GLY A 100 10.763 -8.971 5.737 1.00 0.00 O ATOM 0 H GLY A 100 13.251 -6.671 4.786 1.00 0.00 H new ATOM 0 HA2 GLY A 100 10.802 -6.457 5.807 1.00 0.00 H new ATOM 0 HA3 GLY A 100 10.412 -6.499 4.099 1.00 0.00 H new ATOM 1434 N HIS A 101 11.987 -8.840 3.852 1.00 0.00 N ATOM 1435 CA HIS A 101 12.191 -10.279 3.754 1.00 0.00 C ATOM 1436 C HIS A 101 13.467 -10.687 4.474 1.00 0.00 C ATOM 1437 O HIS A 101 14.141 -11.638 4.078 1.00 0.00 O ATOM 1438 CB HIS A 101 12.246 -10.715 2.289 1.00 0.00 C ATOM 1439 CG HIS A 101 10.955 -10.519 1.556 1.00 0.00 C ATOM 1440 ND1 HIS A 101 10.667 -9.808 0.441 1.00 0.00 N flip ATOM 1441 CD2 HIS A 101 9.769 -11.098 1.955 1.00 0.00 C flip ATOM 1442 CE1 HIS A 101 9.327 -9.968 0.190 1.00 0.00 C flip ATOM 1443 NE2 HIS A 101 8.808 -10.751 1.117 1.00 0.00 N flip ATOM 0 H HIS A 101 12.424 -8.300 3.105 1.00 0.00 H new ATOM 0 HA HIS A 101 11.348 -10.777 4.233 1.00 0.00 H new ATOM 0 HB2 HIS A 101 13.031 -10.155 1.781 1.00 0.00 H new ATOM 0 HB3 HIS A 101 12.524 -11.768 2.242 1.00 0.00 H new ATOM 0 HD2 HIS A 101 9.645 -11.736 2.818 1.00 0.00 H new ATOM 0 HE1 HIS A 101 8.785 -9.525 -0.633 1.00 0.00 H new ATOM 0 HE2 HIS A 101 7.831 -11.039 1.176 1.00 0.00 H new ATOM 1452 N GLU A 102 13.795 -9.954 5.532 1.00 0.00 N ATOM 1453 CA GLU A 102 14.991 -10.224 6.311 1.00 0.00 C ATOM 1454 C GLU A 102 14.795 -9.807 7.764 1.00 0.00 C ATOM 1455 O GLU A 102 15.082 -10.574 8.683 1.00 0.00 O ATOM 1456 CB GLU A 102 16.175 -9.481 5.700 1.00 0.00 C ATOM 1457 CG GLU A 102 16.529 -9.960 4.301 1.00 0.00 C ATOM 1458 CD GLU A 102 17.114 -11.359 4.290 1.00 0.00 C ATOM 1459 OE1 GLU A 102 16.423 -12.297 4.739 1.00 0.00 O ATOM 1460 OE2 GLU A 102 18.265 -11.517 3.832 1.00 0.00 O ATOM 0 H GLU A 102 13.244 -9.165 5.869 1.00 0.00 H new ATOM 0 HA GLU A 102 15.190 -11.296 6.292 1.00 0.00 H new ATOM 0 HB2 GLU A 102 15.947 -8.416 5.665 1.00 0.00 H new ATOM 0 HB3 GLU A 102 17.043 -9.600 6.348 1.00 0.00 H new ATOM 0 HG2 GLU A 102 15.635 -9.940 3.678 1.00 0.00 H new ATOM 0 HG3 GLU A 102 17.244 -9.269 3.855 1.00 0.00 H new ATOM 1467 N LEU A 103 14.295 -8.589 7.965 1.00 0.00 N ATOM 1468 CA LEU A 103 14.052 -8.074 9.310 1.00 0.00 C ATOM 1469 C LEU A 103 13.475 -6.663 9.246 1.00 0.00 C ATOM 1470 O LEU A 103 12.391 -6.401 9.769 1.00 0.00 O ATOM 1471 CB LEU A 103 15.350 -8.074 10.127 1.00 0.00 C ATOM 1472 CG LEU A 103 15.170 -7.975 11.646 1.00 0.00 C ATOM 1473 CD1 LEU A 103 16.522 -7.984 12.343 1.00 0.00 C ATOM 1474 CD2 LEU A 103 14.387 -6.726 12.022 1.00 0.00 C ATOM 0 H LEU A 103 14.051 -7.942 7.215 1.00 0.00 H new ATOM 0 HA LEU A 103 13.329 -8.726 9.800 1.00 0.00 H new ATOM 0 HB2 LEU A 103 15.901 -8.987 9.902 1.00 0.00 H new ATOM 0 HB3 LEU A 103 15.968 -7.239 9.796 1.00 0.00 H new ATOM 0 HG LEU A 103 14.601 -8.844 11.977 1.00 0.00 H new ATOM 0 HD11 LEU A 103 16.376 -7.913 13.421 1.00 0.00 H new ATOM 0 HD12 LEU A 103 17.046 -8.910 12.108 1.00 0.00 H new ATOM 0 HD13 LEU A 103 17.114 -7.135 12.000 1.00 0.00 H new ATOM 0 HD21 LEU A 103 14.273 -6.680 13.105 1.00 0.00 H new ATOM 0 HD22 LEU A 103 14.923 -5.842 11.676 1.00 0.00 H new ATOM 0 HD23 LEU A 103 13.403 -6.759 11.555 1.00 0.00 H new ATOM 1486 N GLN A 104 14.206 -5.756 8.604 1.00 0.00 N ATOM 1487 CA GLN A 104 13.766 -4.371 8.474 1.00 0.00 C ATOM 1488 C GLN A 104 14.681 -3.597 7.526 1.00 0.00 C ATOM 1489 O GLN A 104 15.846 -3.952 7.349 1.00 0.00 O ATOM 1490 CB GLN A 104 13.741 -3.693 9.846 1.00 0.00 C ATOM 1491 CG GLN A 104 15.115 -3.544 10.480 1.00 0.00 C ATOM 1492 CD GLN A 104 15.049 -2.982 11.887 1.00 0.00 C ATOM 1493 OE1 GLN A 104 14.441 -3.578 12.777 1.00 0.00 O ATOM 1494 NE2 GLN A 104 15.673 -1.829 12.095 1.00 0.00 N ATOM 0 H GLN A 104 15.105 -5.955 8.166 1.00 0.00 H new ATOM 0 HA GLN A 104 12.759 -4.371 8.058 1.00 0.00 H new ATOM 0 HB2 GLN A 104 13.288 -2.707 9.746 1.00 0.00 H new ATOM 0 HB3 GLN A 104 13.103 -4.270 10.515 1.00 0.00 H new ATOM 0 HG2 GLN A 104 15.608 -4.516 10.503 1.00 0.00 H new ATOM 0 HG3 GLN A 104 15.729 -2.890 9.860 1.00 0.00 H new ATOM 0 HE21 GLN A 104 16.165 -1.370 11.328 1.00 0.00 H new ATOM 0 HE22 GLN A 104 15.661 -1.402 13.021 1.00 0.00 H new ATOM 1503 N PRO A 105 14.163 -2.525 6.902 1.00 0.00 N ATOM 1504 CA PRO A 105 14.941 -1.703 5.968 1.00 0.00 C ATOM 1505 C PRO A 105 16.134 -1.030 6.640 1.00 0.00 C ATOM 1506 O PRO A 105 17.271 -1.169 6.191 1.00 0.00 O ATOM 1507 CB PRO A 105 13.938 -0.650 5.481 1.00 0.00 C ATOM 1508 CG PRO A 105 12.862 -0.632 6.512 1.00 0.00 C ATOM 1509 CD PRO A 105 12.784 -2.030 7.053 1.00 0.00 C ATOM 0 HA PRO A 105 15.367 -2.304 5.164 1.00 0.00 H new ATOM 0 HB2 PRO A 105 14.409 0.328 5.386 1.00 0.00 H new ATOM 0 HB3 PRO A 105 13.540 -0.909 4.500 1.00 0.00 H new ATOM 0 HG2 PRO A 105 13.092 0.081 7.304 1.00 0.00 H new ATOM 0 HG3 PRO A 105 11.910 -0.328 6.077 1.00 0.00 H new ATOM 0 HD2 PRO A 105 12.464 -2.042 8.095 1.00 0.00 H new ATOM 0 HD3 PRO A 105 12.074 -2.639 6.494 1.00 0.00 H new ATOM 1517 N LEU A 106 15.867 -0.299 7.718 1.00 0.00 N ATOM 1518 CA LEU A 106 16.920 0.396 8.449 1.00 0.00 C ATOM 1519 C LEU A 106 17.567 -0.521 9.481 1.00 0.00 C ATOM 1520 O LEU A 106 17.301 -0.411 10.678 1.00 0.00 O ATOM 1521 CB LEU A 106 16.356 1.641 9.136 1.00 0.00 C ATOM 1522 CG LEU A 106 15.742 2.678 8.194 1.00 0.00 C ATOM 1523 CD1 LEU A 106 15.219 3.869 8.981 1.00 0.00 C ATOM 1524 CD2 LEU A 106 16.762 3.126 7.159 1.00 0.00 C ATOM 0 H LEU A 106 14.931 -0.173 8.104 1.00 0.00 H new ATOM 0 HA LEU A 106 17.684 0.699 7.733 1.00 0.00 H new ATOM 0 HB2 LEU A 106 15.597 1.329 9.853 1.00 0.00 H new ATOM 0 HB3 LEU A 106 17.155 2.117 9.705 1.00 0.00 H new ATOM 0 HG LEU A 106 14.903 2.217 7.672 1.00 0.00 H new ATOM 0 HD11 LEU A 106 14.786 4.597 8.295 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.456 3.534 9.684 1.00 0.00 H new ATOM 0 HD13 LEU A 106 16.040 4.331 9.529 1.00 0.00 H new ATOM 0 HD21 LEU A 106 16.309 3.864 6.497 1.00 0.00 H new ATOM 0 HD22 LEU A 106 17.621 3.570 7.663 1.00 0.00 H new ATOM 0 HD23 LEU A 106 17.089 2.266 6.574 1.00 0.00 H new ATOM 1536 N ALA A 107 18.421 -1.424 9.010 1.00 0.00 N ATOM 1537 CA ALA A 107 19.109 -2.355 9.882 1.00 0.00 C ATOM 1538 C ALA A 107 20.600 -2.391 9.558 1.00 0.00 C ATOM 1539 O ALA A 107 21.043 -3.228 8.772 1.00 0.00 O ATOM 1540 CB ALA A 107 18.506 -3.745 9.748 1.00 0.00 C ATOM 0 H ALA A 107 18.651 -1.527 8.022 1.00 0.00 H new ATOM 0 HA ALA A 107 18.988 -2.018 10.912 1.00 0.00 H new ATOM 0 HB1 ALA A 107 19.032 -4.435 10.408 1.00 0.00 H new ATOM 0 HB2 ALA A 107 17.452 -3.712 10.023 1.00 0.00 H new ATOM 0 HB3 ALA A 107 18.602 -4.085 8.717 1.00 0.00 H new ATOM 1546 N ILE A 108 21.370 -1.475 10.158 1.00 0.00 N ATOM 1547 CA ILE A 108 22.812 -1.401 9.925 1.00 0.00 C ATOM 1548 C ILE A 108 23.111 -0.668 8.621 1.00 0.00 C ATOM 1549 O ILE A 108 24.116 -0.932 7.962 1.00 0.00 O ATOM 1550 CB ILE A 108 23.454 -2.803 9.874 1.00 0.00 C ATOM 1551 CG1 ILE A 108 23.012 -3.631 11.080 1.00 0.00 C ATOM 1552 CG2 ILE A 108 24.971 -2.689 9.837 1.00 0.00 C ATOM 1553 CD1 ILE A 108 23.219 -5.116 10.895 1.00 0.00 C ATOM 0 H ILE A 108 21.015 -0.775 10.809 1.00 0.00 H new ATOM 0 HA ILE A 108 23.242 -0.851 10.762 1.00 0.00 H new ATOM 0 HB ILE A 108 23.122 -3.306 8.966 1.00 0.00 H new ATOM 0 HG12 ILE A 108 23.564 -3.301 11.960 1.00 0.00 H new ATOM 0 HG13 ILE A 108 21.957 -3.440 11.276 1.00 0.00 H new ATOM 0 HG21 ILE A 108 25.410 -3.686 9.801 1.00 0.00 H new ATOM 0 HG22 ILE A 108 25.272 -2.128 8.952 1.00 0.00 H new ATOM 0 HG23 ILE A 108 25.319 -2.171 10.731 1.00 0.00 H new ATOM 0 HD11 ILE A 108 22.884 -5.644 11.788 1.00 0.00 H new ATOM 0 HD12 ILE A 108 22.645 -5.459 10.034 1.00 0.00 H new ATOM 0 HD13 ILE A 108 24.277 -5.318 10.729 1.00 0.00 H new ATOM 1565 N VAL A 109 22.226 0.255 8.254 1.00 0.00 N ATOM 1566 CA VAL A 109 22.389 1.028 7.029 1.00 0.00 C ATOM 1567 C VAL A 109 21.887 2.457 7.217 1.00 0.00 C ATOM 1568 O VAL A 109 21.049 2.941 6.454 1.00 0.00 O ATOM 1569 CB VAL A 109 21.638 0.372 5.852 1.00 0.00 C ATOM 1570 CG1 VAL A 109 21.877 1.142 4.561 1.00 0.00 C ATOM 1571 CG2 VAL A 109 22.055 -1.083 5.698 1.00 0.00 C ATOM 0 H VAL A 109 21.388 0.485 8.789 1.00 0.00 H new ATOM 0 HA VAL A 109 23.454 1.050 6.799 1.00 0.00 H new ATOM 0 HB VAL A 109 20.570 0.401 6.069 1.00 0.00 H new ATOM 0 HG11 VAL A 109 21.338 0.661 3.745 1.00 0.00 H new ATOM 0 HG12 VAL A 109 21.522 2.166 4.677 1.00 0.00 H new ATOM 0 HG13 VAL A 109 22.943 1.151 4.335 1.00 0.00 H new ATOM 0 HG21 VAL A 109 21.515 -1.530 4.863 1.00 0.00 H new ATOM 0 HG22 VAL A 109 23.127 -1.136 5.507 1.00 0.00 H new ATOM 0 HG23 VAL A 109 21.822 -1.627 6.613 1.00 0.00 H new ATOM 1581 N ASP A 110 22.404 3.127 8.242 1.00 0.00 N ATOM 1582 CA ASP A 110 22.011 4.500 8.537 1.00 0.00 C ATOM 1583 C ASP A 110 22.368 5.434 7.385 1.00 0.00 C ATOM 1584 O ASP A 110 21.553 6.255 6.965 1.00 0.00 O ATOM 1585 CB ASP A 110 22.686 4.977 9.824 1.00 0.00 C ATOM 1586 CG ASP A 110 22.304 4.134 11.025 1.00 0.00 C ATOM 1587 OD1 ASP A 110 22.572 2.914 11.002 1.00 0.00 O ATOM 1588 OD2 ASP A 110 21.738 4.693 11.987 1.00 0.00 O ATOM 0 H ASP A 110 23.097 2.741 8.883 1.00 0.00 H new ATOM 0 HA ASP A 110 20.929 4.520 8.670 1.00 0.00 H new ATOM 0 HB2 ASP A 110 23.768 4.951 9.695 1.00 0.00 H new ATOM 0 HB3 ASP A 110 22.413 6.015 10.011 1.00 0.00 H new ATOM 1593 N GLN A 111 23.590 5.305 6.878 1.00 0.00 N ATOM 1594 CA GLN A 111 24.050 6.142 5.774 1.00 0.00 C ATOM 1595 C GLN A 111 23.737 5.499 4.432 1.00 0.00 C ATOM 1596 O GLN A 111 23.191 6.147 3.544 1.00 0.00 O ATOM 1597 CB GLN A 111 25.562 6.389 5.868 1.00 0.00 C ATOM 1598 CG GLN A 111 25.983 7.174 7.101 1.00 0.00 C ATOM 1599 CD GLN A 111 25.650 6.461 8.396 1.00 0.00 C ATOM 1600 OE1 GLN A 111 24.849 7.106 9.237 1.00 0.00 O flip ATOM 1601 NE2 GLN A 111 26.108 5.345 8.640 1.00 0.00 N flip ATOM 0 H GLN A 111 24.278 4.631 7.213 1.00 0.00 H new ATOM 0 HA GLN A 111 23.522 7.093 5.848 1.00 0.00 H new ATOM 0 HB2 GLN A 111 26.078 5.429 5.867 1.00 0.00 H new ATOM 0 HB3 GLN A 111 25.888 6.927 4.978 1.00 0.00 H new ATOM 0 HG2 GLN A 111 27.057 7.358 7.059 1.00 0.00 H new ATOM 0 HG3 GLN A 111 25.492 8.147 7.091 1.00 0.00 H new ATOM 0 HE21 GLN A 111 26.720 4.886 7.965 1.00 0.00 H new ATOM 0 HE22 GLN A 111 25.876 4.879 9.517 1.00 0.00 H new ATOM 1610 N ARG A 112 24.134 4.230 4.303 1.00 0.00 N ATOM 1611 CA ARG A 112 23.971 3.429 3.083 1.00 0.00 C ATOM 1612 C ARG A 112 25.326 3.271 2.395 1.00 0.00 C ATOM 1613 O ARG A 112 25.803 2.151 2.222 1.00 0.00 O ATOM 1614 CB ARG A 112 22.916 3.986 2.109 1.00 0.00 C ATOM 1615 CG ARG A 112 21.488 3.584 2.458 1.00 0.00 C ATOM 1616 CD ARG A 112 21.029 4.175 3.783 1.00 0.00 C ATOM 1617 NE ARG A 112 20.782 5.612 3.692 1.00 0.00 N ATOM 1618 CZ ARG A 112 19.819 6.155 2.949 1.00 0.00 C ATOM 1619 NH1 ARG A 112 18.983 5.383 2.265 1.00 0.00 N ATOM 1620 NH2 ARG A 112 19.683 7.473 2.901 1.00 0.00 N ATOM 0 H ARG A 112 24.588 3.718 5.060 1.00 0.00 H new ATOM 0 HA ARG A 112 23.591 2.454 3.389 1.00 0.00 H new ATOM 0 HB2 ARG A 112 22.985 5.074 2.096 1.00 0.00 H new ATOM 0 HB3 ARG A 112 23.146 3.640 1.101 1.00 0.00 H new ATOM 0 HG2 ARG A 112 20.816 3.912 1.664 1.00 0.00 H new ATOM 0 HG3 ARG A 112 21.420 2.497 2.505 1.00 0.00 H new ATOM 0 HD2 ARG A 112 20.118 3.672 4.107 1.00 0.00 H new ATOM 0 HD3 ARG A 112 21.786 3.986 4.544 1.00 0.00 H new ATOM 0 HE ARG A 112 21.383 6.237 4.230 1.00 0.00 H new ATOM 0 HH11 ARG A 112 19.076 4.368 2.307 1.00 0.00 H new ATOM 0 HH12 ARG A 112 18.248 5.805 1.698 1.00 0.00 H new ATOM 0 HH21 ARG A 112 20.316 8.071 3.433 1.00 0.00 H new ATOM 0 HH22 ARG A 112 18.946 7.889 2.332 1.00 0.00 H new ATOM 1634 N PRO A 113 25.987 4.386 2.015 1.00 0.00 N ATOM 1635 CA PRO A 113 27.305 4.333 1.380 1.00 0.00 C ATOM 1636 C PRO A 113 28.346 3.697 2.293 1.00 0.00 C ATOM 1637 O PRO A 113 29.177 4.391 2.880 1.00 0.00 O ATOM 1638 CB PRO A 113 27.659 5.807 1.139 1.00 0.00 C ATOM 1639 CG PRO A 113 26.361 6.527 1.193 1.00 0.00 C ATOM 1640 CD PRO A 113 25.526 5.774 2.185 1.00 0.00 C ATOM 0 HA PRO A 113 27.291 3.732 0.471 1.00 0.00 H new ATOM 0 HB2 PRO A 113 28.348 6.177 1.899 1.00 0.00 H new ATOM 0 HB3 PRO A 113 28.146 5.943 0.174 1.00 0.00 H new ATOM 0 HG2 PRO A 113 26.499 7.563 1.503 1.00 0.00 H new ATOM 0 HG3 PRO A 113 25.883 6.548 0.214 1.00 0.00 H new ATOM 0 HD2 PRO A 113 25.686 6.131 3.202 1.00 0.00 H new ATOM 0 HD3 PRO A 113 24.461 5.875 1.976 1.00 0.00 H new ATOM 1648 N SER A 114 28.306 2.376 2.413 1.00 0.00 N ATOM 1649 CA SER A 114 29.256 1.659 3.257 1.00 0.00 C ATOM 1650 C SER A 114 30.651 1.668 2.633 1.00 0.00 C ATOM 1651 O SER A 114 31.354 0.657 2.652 1.00 0.00 O ATOM 1652 CB SER A 114 28.790 0.219 3.477 1.00 0.00 C ATOM 1653 OG SER A 114 28.678 -0.474 2.246 1.00 0.00 O ATOM 0 H SER A 114 27.628 1.780 1.938 1.00 0.00 H new ATOM 0 HA SER A 114 29.305 2.167 4.220 1.00 0.00 H new ATOM 0 HB2 SER A 114 29.495 -0.299 4.127 1.00 0.00 H new ATOM 0 HB3 SER A 114 27.827 0.219 3.987 1.00 0.00 H new ATOM 0 HG SER A 114 28.380 -1.393 2.414 1.00 0.00 H new ATOM 1659 N SER A 115 31.041 2.821 2.083 1.00 0.00 N ATOM 1660 CA SER A 115 32.346 2.994 1.446 1.00 0.00 C ATOM 1661 C SER A 115 32.345 4.237 0.561 1.00 0.00 C ATOM 1662 O SER A 115 33.329 4.975 0.507 1.00 0.00 O ATOM 1663 CB SER A 115 32.726 1.767 0.609 1.00 0.00 C ATOM 1664 OG SER A 115 31.699 1.437 -0.311 1.00 0.00 O ATOM 0 H SER A 115 30.460 3.659 2.068 1.00 0.00 H new ATOM 0 HA SER A 115 33.086 3.113 2.238 1.00 0.00 H new ATOM 0 HB2 SER A 115 33.652 1.964 0.069 1.00 0.00 H new ATOM 0 HB3 SER A 115 32.915 0.919 1.267 1.00 0.00 H new ATOM 0 HG SER A 115 31.967 0.652 -0.833 1.00 0.00 H new ATOM 1670 N ARG A 116 31.231 4.461 -0.128 1.00 0.00 N ATOM 1671 CA ARG A 116 31.092 5.614 -1.010 1.00 0.00 C ATOM 1672 C ARG A 116 30.872 6.889 -0.203 1.00 0.00 C ATOM 1673 O ARG A 116 30.961 6.880 1.025 1.00 0.00 O ATOM 1674 CB ARG A 116 29.928 5.405 -1.985 1.00 0.00 C ATOM 1675 CG ARG A 116 30.175 4.323 -3.027 1.00 0.00 C ATOM 1676 CD ARG A 116 30.420 2.964 -2.389 1.00 0.00 C ATOM 1677 NE ARG A 116 30.531 1.901 -3.386 1.00 0.00 N ATOM 1678 CZ ARG A 116 31.524 1.809 -4.268 1.00 0.00 C ATOM 1679 NH1 ARG A 116 32.522 2.684 -4.250 1.00 0.00 N ATOM 1680 NH2 ARG A 116 31.527 0.830 -5.162 1.00 0.00 N ATOM 0 H ARG A 116 30.409 3.858 -0.092 1.00 0.00 H new ATOM 0 HA ARG A 116 32.016 5.718 -1.579 1.00 0.00 H new ATOM 0 HB2 ARG A 116 29.034 5.149 -1.417 1.00 0.00 H new ATOM 0 HB3 ARG A 116 29.723 6.346 -2.496 1.00 0.00 H new ATOM 0 HG2 ARG A 116 29.316 4.260 -3.695 1.00 0.00 H new ATOM 0 HG3 ARG A 116 31.035 4.597 -3.638 1.00 0.00 H new ATOM 0 HD2 ARG A 116 31.334 3.002 -1.796 1.00 0.00 H new ATOM 0 HD3 ARG A 116 29.605 2.734 -1.703 1.00 0.00 H new ATOM 0 HE ARG A 116 29.804 1.186 -3.407 1.00 0.00 H new ATOM 0 HH11 ARG A 116 32.531 3.433 -3.557 1.00 0.00 H new ATOM 0 HH12 ARG A 116 33.280 2.608 -4.929 1.00 0.00 H new ATOM 0 HH21 ARG A 116 30.769 0.148 -5.174 1.00 0.00 H new ATOM 0 HH22 ARG A 116 32.288 0.759 -5.838 1.00 0.00 H new ATOM 1694 N ALA A 117 30.588 7.986 -0.899 1.00 0.00 N ATOM 1695 CA ALA A 117 30.361 9.268 -0.244 1.00 0.00 C ATOM 1696 C ALA A 117 31.627 9.763 0.449 1.00 0.00 C ATOM 1697 O ALA A 117 31.567 10.615 1.336 1.00 0.00 O ATOM 1698 CB ALA A 117 29.217 9.157 0.754 1.00 0.00 C ATOM 0 H ALA A 117 30.510 8.012 -1.916 1.00 0.00 H new ATOM 0 HA ALA A 117 30.090 9.996 -1.009 1.00 0.00 H new ATOM 0 HB1 ALA A 117 29.059 10.122 1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 117 28.307 8.858 0.233 1.00 0.00 H new ATOM 0 HB3 ALA A 117 29.464 8.411 1.509 1.00 0.00 H new ATOM 1704 N SER A 118 32.774 9.224 0.039 1.00 0.00 N ATOM 1705 CA SER A 118 34.057 9.611 0.619 1.00 0.00 C ATOM 1706 C SER A 118 34.017 9.545 2.139 1.00 0.00 C ATOM 1707 O SER A 118 34.442 10.475 2.825 1.00 0.00 O ATOM 1708 CB SER A 118 34.446 11.019 0.162 1.00 0.00 C ATOM 1709 OG SER A 118 33.480 11.974 0.568 1.00 0.00 O ATOM 0 H SER A 118 32.840 8.517 -0.694 1.00 0.00 H new ATOM 0 HA SER A 118 34.809 8.904 0.269 1.00 0.00 H new ATOM 0 HB2 SER A 118 35.419 11.283 0.576 1.00 0.00 H new ATOM 0 HB3 SER A 118 34.546 11.038 -0.923 1.00 0.00 H new ATOM 0 HG SER A 118 32.983 11.629 1.339 1.00 0.00 H new ATOM 1715 N SER A 119 33.519 8.430 2.660 1.00 0.00 N ATOM 1716 CA SER A 119 33.443 8.236 4.100 1.00 0.00 C ATOM 1717 C SER A 119 34.842 8.093 4.698 1.00 0.00 C ATOM 1718 O SER A 119 35.011 8.125 5.917 1.00 0.00 O ATOM 1719 CB SER A 119 32.605 6.999 4.428 1.00 0.00 C ATOM 1720 OG SER A 119 32.522 6.795 5.828 1.00 0.00 O ATOM 0 H SER A 119 33.163 7.650 2.108 1.00 0.00 H new ATOM 0 HA SER A 119 32.965 9.112 4.538 1.00 0.00 H new ATOM 0 HB2 SER A 119 31.603 7.115 4.014 1.00 0.00 H new ATOM 0 HB3 SER A 119 33.046 6.121 3.955 1.00 0.00 H new ATOM 0 HG SER A 119 33.257 7.267 6.272 1.00 0.00 H new ATOM 1726 N ARG A 120 35.844 7.939 3.832 1.00 0.00 N ATOM 1727 CA ARG A 120 37.224 7.797 4.280 1.00 0.00 C ATOM 1728 C ARG A 120 37.884 9.162 4.433 1.00 0.00 C ATOM 1729 O ARG A 120 38.616 9.408 5.392 1.00 0.00 O ATOM 1730 CB ARG A 120 38.016 6.948 3.287 1.00 0.00 C ATOM 1731 CG ARG A 120 37.464 5.544 3.108 1.00 0.00 C ATOM 1732 CD ARG A 120 38.261 4.765 2.075 1.00 0.00 C ATOM 1733 NE ARG A 120 37.782 3.392 1.936 1.00 0.00 N ATOM 1734 CZ ARG A 120 38.312 2.504 1.097 1.00 0.00 C ATOM 1735 NH1 ARG A 120 39.335 2.841 0.322 1.00 0.00 N ATOM 1736 NH2 ARG A 120 37.817 1.275 1.034 1.00 0.00 N ATOM 0 H ARG A 120 35.724 7.910 2.820 1.00 0.00 H new ATOM 0 HA ARG A 120 37.218 7.301 5.251 1.00 0.00 H new ATOM 0 HB2 ARG A 120 38.026 7.451 2.320 1.00 0.00 H new ATOM 0 HB3 ARG A 120 39.051 6.882 3.623 1.00 0.00 H new ATOM 0 HG2 ARG A 120 37.488 5.017 4.062 1.00 0.00 H new ATOM 0 HG3 ARG A 120 36.420 5.598 2.800 1.00 0.00 H new ATOM 0 HD2 ARG A 120 38.197 5.270 1.111 1.00 0.00 H new ATOM 0 HD3 ARG A 120 39.313 4.755 2.361 1.00 0.00 H new ATOM 0 HE ARG A 120 36.996 3.096 2.515 1.00 0.00 H new ATOM 0 HH11 ARG A 120 39.720 3.785 0.367 1.00 0.00 H new ATOM 0 HH12 ARG A 120 39.737 2.156 -0.319 1.00 0.00 H new ATOM 0 HH21 ARG A 120 37.031 1.011 1.628 1.00 0.00 H new ATOM 0 HH22 ARG A 120 38.222 0.594 0.392 1.00 0.00 H new ATOM 1750 N ALA A 121 37.619 10.046 3.475 1.00 0.00 N ATOM 1751 CA ALA A 121 38.185 11.393 3.488 1.00 0.00 C ATOM 1752 C ALA A 121 38.066 12.042 4.865 1.00 0.00 C ATOM 1753 O ALA A 121 39.068 12.429 5.467 1.00 0.00 O ATOM 1754 CB ALA A 121 37.503 12.258 2.438 1.00 0.00 C ATOM 0 H ALA A 121 37.014 9.853 2.677 1.00 0.00 H new ATOM 0 HA ALA A 121 39.246 11.310 3.252 1.00 0.00 H new ATOM 0 HB1 ALA A 121 37.933 13.260 2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 121 37.651 11.818 1.452 1.00 0.00 H new ATOM 0 HB3 ALA A 121 36.436 12.317 2.652 1.00 0.00 H new ATOM 1760 N SER A 122 36.836 12.160 5.360 1.00 0.00 N ATOM 1761 CA SER A 122 36.589 12.764 6.666 1.00 0.00 C ATOM 1762 C SER A 122 37.444 12.106 7.746 1.00 0.00 C ATOM 1763 O SER A 122 38.193 12.780 8.454 1.00 0.00 O ATOM 1764 CB SER A 122 35.108 12.649 7.032 1.00 0.00 C ATOM 1765 OG SER A 122 34.294 13.306 6.076 1.00 0.00 O ATOM 0 H SER A 122 35.995 11.845 4.876 1.00 0.00 H new ATOM 0 HA SER A 122 36.862 13.817 6.606 1.00 0.00 H new ATOM 0 HB2 SER A 122 34.826 11.598 7.094 1.00 0.00 H new ATOM 0 HB3 SER A 122 34.939 13.083 8.018 1.00 0.00 H new ATOM 0 HG SER A 122 33.352 13.217 6.332 1.00 0.00 H new ATOM 1771 N SER A 123 37.326 10.787 7.866 1.00 0.00 N ATOM 1772 CA SER A 123 38.086 10.032 8.859 1.00 0.00 C ATOM 1773 C SER A 123 37.955 10.656 10.246 1.00 0.00 C ATOM 1774 O SER A 123 38.869 11.325 10.726 1.00 0.00 O ATOM 1775 CB SER A 123 39.561 9.960 8.456 1.00 0.00 C ATOM 1776 OG SER A 123 40.130 11.254 8.358 1.00 0.00 O ATOM 0 H SER A 123 36.710 10.217 7.287 1.00 0.00 H new ATOM 0 HA SER A 123 37.675 9.023 8.899 1.00 0.00 H new ATOM 0 HB2 SER A 123 40.113 9.372 9.190 1.00 0.00 H new ATOM 0 HB3 SER A 123 39.655 9.446 7.500 1.00 0.00 H new ATOM 0 HG SER A 123 39.623 11.878 8.919 1.00 0.00 H new ATOM 1782 N ARG A 124 36.810 10.432 10.883 1.00 0.00 N ATOM 1783 CA ARG A 124 36.555 10.971 12.214 1.00 0.00 C ATOM 1784 C ARG A 124 37.404 10.252 13.263 1.00 0.00 C ATOM 1785 O ARG A 124 37.194 9.070 13.535 1.00 0.00 O ATOM 1786 CB ARG A 124 35.071 10.835 12.559 1.00 0.00 C ATOM 1787 CG ARG A 124 34.154 11.540 11.574 1.00 0.00 C ATOM 1788 CD ARG A 124 32.690 11.334 11.926 1.00 0.00 C ATOM 1789 NE ARG A 124 32.362 11.872 13.244 1.00 0.00 N ATOM 1790 CZ ARG A 124 31.144 11.831 13.779 1.00 0.00 C ATOM 1791 NH1 ARG A 124 30.137 11.281 13.112 1.00 0.00 N ATOM 1792 NH2 ARG A 124 30.931 12.343 14.983 1.00 0.00 N ATOM 0 H ARG A 124 36.043 9.880 10.498 1.00 0.00 H new ATOM 0 HA ARG A 124 36.828 12.026 12.215 1.00 0.00 H new ATOM 0 HB2 ARG A 124 34.809 9.777 12.594 1.00 0.00 H new ATOM 0 HB3 ARG A 124 34.899 11.239 13.557 1.00 0.00 H new ATOM 0 HG2 ARG A 124 34.380 12.606 11.565 1.00 0.00 H new ATOM 0 HG3 ARG A 124 34.343 11.165 10.568 1.00 0.00 H new ATOM 0 HD2 ARG A 124 32.065 11.814 11.173 1.00 0.00 H new ATOM 0 HD3 ARG A 124 32.458 10.269 11.901 1.00 0.00 H new ATOM 0 HE ARG A 124 33.110 12.304 13.786 1.00 0.00 H new ATOM 0 HH11 ARG A 124 30.294 10.887 12.184 1.00 0.00 H new ATOM 0 HH12 ARG A 124 29.206 11.252 13.527 1.00 0.00 H new ATOM 0 HH21 ARG A 124 31.701 12.769 15.500 1.00 0.00 H new ATOM 0 HH22 ARG A 124 29.997 12.311 15.393 1.00 0.00 H new ATOM 1806 N PRO A 125 38.381 10.955 13.868 1.00 0.00 N ATOM 1807 CA PRO A 125 39.259 10.368 14.884 1.00 0.00 C ATOM 1808 C PRO A 125 38.578 10.242 16.243 1.00 0.00 C ATOM 1809 O PRO A 125 38.120 11.232 16.813 1.00 0.00 O ATOM 1810 CB PRO A 125 40.415 11.363 14.957 1.00 0.00 C ATOM 1811 CG PRO A 125 39.802 12.673 14.600 1.00 0.00 C ATOM 1812 CD PRO A 125 38.711 12.371 13.606 1.00 0.00 C ATOM 0 HA PRO A 125 39.561 9.353 14.627 1.00 0.00 H new ATOM 0 HB2 PRO A 125 40.854 11.389 15.954 1.00 0.00 H new ATOM 0 HB3 PRO A 125 41.213 11.096 14.264 1.00 0.00 H new ATOM 0 HG2 PRO A 125 39.398 13.167 15.483 1.00 0.00 H new ATOM 0 HG3 PRO A 125 40.544 13.346 14.170 1.00 0.00 H new ATOM 0 HD2 PRO A 125 37.846 13.018 13.752 1.00 0.00 H new ATOM 0 HD3 PRO A 125 39.051 12.520 12.581 1.00 0.00 H new ATOM 1820 N ARG A 126 38.528 9.018 16.761 1.00 0.00 N ATOM 1821 CA ARG A 126 37.913 8.760 18.061 1.00 0.00 C ATOM 1822 C ARG A 126 38.421 7.457 18.687 1.00 0.00 C ATOM 1823 O ARG A 126 38.804 7.441 19.857 1.00 0.00 O ATOM 1824 CB ARG A 126 36.382 8.736 17.955 1.00 0.00 C ATOM 1825 CG ARG A 126 35.776 10.074 17.567 1.00 0.00 C ATOM 1826 CD ARG A 126 34.256 10.017 17.564 1.00 0.00 C ATOM 1827 NE ARG A 126 33.659 11.325 17.301 1.00 0.00 N ATOM 1828 CZ ARG A 126 33.755 12.364 18.128 1.00 0.00 C ATOM 1829 NH1 ARG A 126 34.381 12.241 19.292 1.00 0.00 N ATOM 1830 NH2 ARG A 126 33.210 13.527 17.798 1.00 0.00 N ATOM 0 H ARG A 126 38.905 8.189 16.301 1.00 0.00 H new ATOM 0 HA ARG A 126 38.205 9.581 18.716 1.00 0.00 H new ATOM 0 HB2 ARG A 126 36.089 7.987 17.219 1.00 0.00 H new ATOM 0 HB3 ARG A 126 35.965 8.422 18.912 1.00 0.00 H new ATOM 0 HG2 ARG A 126 36.111 10.842 18.264 1.00 0.00 H new ATOM 0 HG3 ARG A 126 36.132 10.363 16.578 1.00 0.00 H new ATOM 0 HD2 ARG A 126 33.921 9.307 16.807 1.00 0.00 H new ATOM 0 HD3 ARG A 126 33.905 9.646 18.527 1.00 0.00 H new ATOM 0 HE ARG A 126 33.138 11.449 16.433 1.00 0.00 H new ATOM 0 HH11 ARG A 126 34.792 11.346 19.558 1.00 0.00 H new ATOM 0 HH12 ARG A 126 34.451 13.041 19.921 1.00 0.00 H new ATOM 0 HH21 ARG A 126 32.717 13.626 16.910 1.00 0.00 H new ATOM 0 HH22 ARG A 126 33.284 14.323 18.432 1.00 0.00 H new ATOM 1844 N PRO A 127 38.428 6.342 17.931 1.00 0.00 N ATOM 1845 CA PRO A 127 38.886 5.045 18.441 1.00 0.00 C ATOM 1846 C PRO A 127 40.399 5.003 18.648 1.00 0.00 C ATOM 1847 O PRO A 127 41.100 4.197 18.036 1.00 0.00 O ATOM 1848 CB PRO A 127 38.460 4.049 17.347 1.00 0.00 C ATOM 1849 CG PRO A 127 37.539 4.812 16.453 1.00 0.00 C ATOM 1850 CD PRO A 127 37.988 6.239 16.537 1.00 0.00 C ATOM 0 HA PRO A 127 38.460 4.823 19.419 1.00 0.00 H new ATOM 0 HB2 PRO A 127 39.324 3.677 16.796 1.00 0.00 H new ATOM 0 HB3 PRO A 127 37.960 3.182 17.778 1.00 0.00 H new ATOM 0 HG2 PRO A 127 37.593 4.444 15.429 1.00 0.00 H new ATOM 0 HG3 PRO A 127 36.503 4.707 16.776 1.00 0.00 H new ATOM 0 HD2 PRO A 127 38.796 6.454 15.838 1.00 0.00 H new ATOM 0 HD3 PRO A 127 37.179 6.934 16.313 1.00 0.00 H new ATOM 1858 N ASP A 128 40.895 5.875 19.522 1.00 0.00 N ATOM 1859 CA ASP A 128 42.322 5.940 19.820 1.00 0.00 C ATOM 1860 C ASP A 128 43.142 6.156 18.549 1.00 0.00 C ATOM 1861 O ASP A 128 44.194 5.546 18.363 1.00 0.00 O ATOM 1862 CB ASP A 128 42.772 4.658 20.524 1.00 0.00 C ATOM 1863 CG ASP A 128 44.218 4.720 20.975 1.00 0.00 C ATOM 1864 OD1 ASP A 128 44.867 5.764 20.752 1.00 0.00 O ATOM 1865 OD2 ASP A 128 44.702 3.723 21.552 1.00 0.00 O ATOM 0 H ASP A 128 40.327 6.548 20.037 1.00 0.00 H new ATOM 0 HA ASP A 128 42.491 6.790 20.481 1.00 0.00 H new ATOM 0 HB2 ASP A 128 42.133 4.478 21.388 1.00 0.00 H new ATOM 0 HB3 ASP A 128 42.641 3.812 19.849 1.00 0.00 H new ATOM 1870 N ASP A 129 42.649 7.033 17.680 1.00 0.00 N ATOM 1871 CA ASP A 129 43.325 7.346 16.422 1.00 0.00 C ATOM 1872 C ASP A 129 43.281 6.169 15.467 1.00 0.00 C ATOM 1873 O ASP A 129 44.234 5.903 14.734 1.00 0.00 O ATOM 1874 CB ASP A 129 44.773 7.779 16.672 1.00 0.00 C ATOM 1875 CG ASP A 129 45.470 8.244 15.407 1.00 0.00 C ATOM 1876 OD1 ASP A 129 44.819 8.263 14.341 1.00 0.00 O ATOM 1877 OD2 ASP A 129 46.667 8.592 15.484 1.00 0.00 O ATOM 0 H ASP A 129 41.778 7.544 17.824 1.00 0.00 H new ATOM 0 HA ASP A 129 42.792 8.177 15.960 1.00 0.00 H new ATOM 0 HB2 ASP A 129 44.786 8.584 17.406 1.00 0.00 H new ATOM 0 HB3 ASP A 129 45.328 6.946 17.103 1.00 0.00 H new ATOM 1882 N LEU A 130 42.152 5.478 15.476 1.00 0.00 N ATOM 1883 CA LEU A 130 41.928 4.329 14.613 1.00 0.00 C ATOM 1884 C LEU A 130 43.165 3.437 14.495 1.00 0.00 C ATOM 1885 O LEU A 130 43.343 2.749 13.490 1.00 0.00 O ATOM 1886 CB LEU A 130 41.493 4.785 13.218 1.00 0.00 C ATOM 1887 CG LEU A 130 40.233 5.654 13.174 1.00 0.00 C ATOM 1888 CD1 LEU A 130 40.494 7.013 13.804 1.00 0.00 C ATOM 1889 CD2 LEU A 130 39.748 5.813 11.740 1.00 0.00 C ATOM 0 H LEU A 130 41.363 5.699 16.084 1.00 0.00 H new ATOM 0 HA LEU A 130 41.136 3.740 15.074 1.00 0.00 H new ATOM 0 HB2 LEU A 130 42.313 5.341 12.764 1.00 0.00 H new ATOM 0 HB3 LEU A 130 41.326 3.902 12.601 1.00 0.00 H new ATOM 0 HG LEU A 130 39.453 5.157 13.750 1.00 0.00 H new ATOM 0 HD11 LEU A 130 39.586 7.614 13.762 1.00 0.00 H new ATOM 0 HD12 LEU A 130 40.794 6.881 14.844 1.00 0.00 H new ATOM 0 HD13 LEU A 130 41.290 7.520 13.259 1.00 0.00 H new ATOM 0 HD21 LEU A 130 38.852 6.433 11.726 1.00 0.00 H new ATOM 0 HD22 LEU A 130 40.527 6.287 11.143 1.00 0.00 H new ATOM 0 HD23 LEU A 130 39.517 4.833 11.323 1.00 0.00 H new ATOM 1901 N GLU A 131 44.021 3.450 15.514 1.00 0.00 N ATOM 1902 CA GLU A 131 45.232 2.634 15.485 1.00 0.00 C ATOM 1903 C GLU A 131 44.916 1.158 15.729 1.00 0.00 C ATOM 1904 O GLU A 131 45.786 0.300 15.580 1.00 0.00 O ATOM 1905 CB GLU A 131 46.247 3.127 16.520 1.00 0.00 C ATOM 1906 CG GLU A 131 45.809 2.923 17.960 1.00 0.00 C ATOM 1907 CD GLU A 131 46.866 3.367 18.953 1.00 0.00 C ATOM 1908 OE1 GLU A 131 47.973 2.789 18.939 1.00 0.00 O ATOM 1909 OE2 GLU A 131 46.589 4.295 19.740 1.00 0.00 O ATOM 0 H GLU A 131 43.902 4.008 16.359 1.00 0.00 H new ATOM 0 HA GLU A 131 45.666 2.732 14.490 1.00 0.00 H new ATOM 0 HB2 GLU A 131 47.193 2.609 16.362 1.00 0.00 H new ATOM 0 HB3 GLU A 131 46.433 4.188 16.354 1.00 0.00 H new ATOM 0 HG2 GLU A 131 44.889 3.479 18.140 1.00 0.00 H new ATOM 0 HG3 GLU A 131 45.581 1.869 18.122 1.00 0.00 H new ATOM 1916 N ILE A 132 43.671 0.865 16.099 1.00 0.00 N ATOM 1917 CA ILE A 132 43.258 -0.511 16.353 1.00 0.00 C ATOM 1918 C ILE A 132 41.846 -0.764 15.834 1.00 0.00 C ATOM 1919 O ILE A 132 41.597 -1.874 15.318 1.00 0.00 O ATOM 1920 CB ILE A 132 43.312 -0.859 17.856 1.00 0.00 C ATOM 1921 CG1 ILE A 132 42.318 -0.008 18.652 1.00 0.00 C ATOM 1922 CG2 ILE A 132 44.724 -0.672 18.393 1.00 0.00 C ATOM 1923 CD1 ILE A 132 42.628 1.473 18.632 1.00 0.00 C ATOM 1924 OXT ILE A 132 41.001 0.149 15.948 1.00 0.00 O ATOM 0 H ILE A 132 42.935 1.559 16.229 1.00 0.00 H new ATOM 0 HA ILE A 132 43.962 -1.151 15.821 1.00 0.00 H new ATOM 0 HB ILE A 132 43.030 -1.905 17.973 1.00 0.00 H new ATOM 0 HG12 ILE A 132 41.317 -0.165 18.251 1.00 0.00 H new ATOM 0 HG13 ILE A 132 42.305 -0.353 19.686 1.00 0.00 H new ATOM 0 HG21 ILE A 132 44.746 -0.921 19.454 1.00 0.00 H new ATOM 0 HG22 ILE A 132 45.408 -1.326 17.852 1.00 0.00 H new ATOM 0 HG23 ILE A 132 45.030 0.365 18.258 1.00 0.00 H new ATOM 0 HD11 ILE A 132 41.881 2.009 19.217 1.00 0.00 H new ATOM 0 HD12 ILE A 132 43.615 1.644 19.061 1.00 0.00 H new ATOM 0 HD13 ILE A 132 42.612 1.834 17.604 1.00 0.00 H new TER 1936 ILE A 132