USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 870 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 42 ASN : amide:sc= 0.463 X(o=0.13,f=-0.061) USER MOD Set 1.2: A 92 ASN : amide:sc= -0.332 X(o=0.13,f=0.6) USER MOD Set 2.1: A 64 THR OG1 : rot 180:sc= 1.03 USER MOD Set 2.2: A 81 THR OG1 : rot -81:sc= 1.22 USER MOD Set 3.1: A 41 CYS SG : rot -79:sc= -0.304 USER MOD Set 3.2: A 44 THR OG1 : rot 76:sc= 1.05 USER MOD Set 4.1: A 38 HIS : no HE2:sc= -0.96 K(o=-0.24,f=-4.2!) USER MOD Set 4.2: A 105 SER OG : rot -145:sc= 0.723 USER MOD Single : A 25 THR OG1 : rot 180:sc= -3.01! USER MOD Single : A 27 SER OG : rot 140:sc= -3.26! USER MOD Single : A 29 ASN : amide:sc= -0.4 X(o=-0.4,f=-0.51) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -80:sc= 0.766 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 160:sc= -0.485 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -55:sc= 0.984 USER MOD Single : A 79 ASN : amide:sc= 1.24 K(o=1.2,f=-0.017) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0234) USER MOD Single : A 86 ASN : amide:sc= -0.0311 X(o=-0.031,f=-0.047) USER MOD Single : A 87 GLN : amide:sc= 1.2 K(o=1.2,f=-3.4!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -175:sc= 1.4 (180deg=1.2) USER MOD Single : A 107 THR OG1 : rot -170:sc= 0 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 30:sc= 0.617 USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.374 USER MOD Single : A 115 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 118 GLN : amide:sc= -0.0788 X(o=-0.079,f=-0.16) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot -160:sc= 1.11 USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 21 -8.338 -10.590 -11.947 1.00 1.00 N ATOM 2 CA GLU A 21 -7.864 -9.772 -10.798 1.00 1.00 C ATOM 3 C GLU A 21 -8.512 -8.380 -10.790 1.00 1.00 C ATOM 4 O GLU A 21 -9.309 -8.072 -11.671 1.00 1.00 O ATOM 5 CB GLU A 21 -6.326 -9.679 -10.743 1.00 1.00 C ATOM 6 CG GLU A 21 -5.512 -9.696 -12.054 1.00 1.00 C ATOM 7 CD GLU A 21 -5.191 -11.115 -12.540 1.00 1.00 C ATOM 8 OE1 GLU A 21 -6.179 -11.795 -12.910 1.00 1.00 O ATOM 9 OE2 GLU A 21 -3.999 -11.492 -12.516 1.00 1.00 O ATOM 0 HA GLU A 21 -8.182 -10.289 -9.892 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -6.074 -8.759 -10.215 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -5.971 -10.507 -10.129 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -6.070 -9.170 -12.829 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -4.581 -9.149 -11.905 1.00 1.00 H new ATOM 17 N LEU A 22 -8.213 -7.560 -9.778 1.00 1.00 N ATOM 18 CA LEU A 22 -8.699 -6.208 -9.583 1.00 1.00 C ATOM 19 C LEU A 22 -7.599 -5.502 -8.770 1.00 1.00 C ATOM 20 O LEU A 22 -6.490 -6.048 -8.612 1.00 1.00 O ATOM 21 CB LEU A 22 -10.087 -6.291 -8.905 1.00 1.00 C ATOM 22 CG LEU A 22 -11.352 -6.121 -9.784 1.00 1.00 C ATOM 23 CD1 LEU A 22 -12.617 -6.184 -8.910 1.00 1.00 C ATOM 24 CD2 LEU A 22 -11.371 -4.800 -10.572 1.00 1.00 C ATOM 0 H LEU A 22 -7.584 -7.850 -9.030 1.00 1.00 H new ATOM 0 HA LEU A 22 -8.866 -5.631 -10.493 1.00 1.00 H new ATOM 0 HB2 LEU A 22 -10.156 -7.259 -8.409 1.00 1.00 H new ATOM 0 HB3 LEU A 22 -10.121 -5.530 -8.125 1.00 1.00 H new ATOM 0 HG LEU A 22 -11.331 -6.939 -10.504 1.00 1.00 H new ATOM 0 HD11 LEU A 22 -13.500 -6.063 -9.538 1.00 1.00 H new ATOM 0 HD12 LEU A 22 -12.661 -7.148 -8.403 1.00 1.00 H new ATOM 0 HD13 LEU A 22 -12.587 -5.385 -8.169 1.00 1.00 H new ATOM 0 HD21 LEU A 22 -12.283 -4.744 -11.167 1.00 1.00 H new ATOM 0 HD22 LEU A 22 -11.339 -3.961 -9.877 1.00 1.00 H new ATOM 0 HD23 LEU A 22 -10.504 -4.757 -11.232 1.00 1.00 H new ATOM 36 N VAL A 23 -7.811 -4.265 -8.339 1.00 1.00 N ATOM 37 CA VAL A 23 -6.899 -3.611 -7.383 1.00 1.00 C ATOM 38 C VAL A 23 -7.036 -4.362 -6.032 1.00 1.00 C ATOM 39 O VAL A 23 -7.621 -3.852 -5.072 1.00 1.00 O ATOM 40 CB VAL A 23 -7.194 -2.083 -7.293 1.00 1.00 C ATOM 41 CG1 VAL A 23 -6.146 -1.351 -6.442 1.00 1.00 C ATOM 42 CG2 VAL A 23 -7.237 -1.396 -8.675 1.00 1.00 C ATOM 0 H VAL A 23 -8.601 -3.689 -8.629 1.00 1.00 H new ATOM 0 HA VAL A 23 -5.860 -3.672 -7.707 1.00 1.00 H new ATOM 0 HB VAL A 23 -8.178 -2.015 -6.828 1.00 1.00 H new ATOM 0 HG11 VAL A 23 -6.386 -0.289 -6.403 1.00 1.00 H new ATOM 0 HG12 VAL A 23 -6.147 -1.760 -5.432 1.00 1.00 H new ATOM 0 HG13 VAL A 23 -5.159 -1.484 -6.886 1.00 1.00 H new ATOM 0 HG21 VAL A 23 -7.446 -0.334 -8.547 1.00 1.00 H new ATOM 0 HG22 VAL A 23 -6.275 -1.519 -9.173 1.00 1.00 H new ATOM 0 HG23 VAL A 23 -8.020 -1.849 -9.282 1.00 1.00 H new ATOM 52 N ARG A 24 -6.521 -5.611 -5.956 1.00 1.00 N ATOM 53 CA ARG A 24 -6.399 -6.392 -4.702 1.00 1.00 C ATOM 54 C ARG A 24 -5.554 -5.711 -3.582 1.00 1.00 C ATOM 55 O ARG A 24 -4.856 -4.727 -3.814 1.00 1.00 O ATOM 56 CB ARG A 24 -5.904 -7.815 -5.005 1.00 1.00 C ATOM 57 CG ARG A 24 -4.466 -7.982 -5.501 1.00 1.00 C ATOM 58 CD ARG A 24 -3.942 -9.374 -5.135 1.00 1.00 C ATOM 59 NE ARG A 24 -3.057 -9.879 -6.195 1.00 1.00 N ATOM 60 CZ ARG A 24 -2.896 -11.122 -6.615 1.00 1.00 C ATOM 61 NH1 ARG A 24 -3.491 -12.151 -6.077 1.00 1.00 N ATOM 62 NH2 ARG A 24 -2.116 -11.359 -7.631 1.00 1.00 N ATOM 0 H ARG A 24 -6.174 -6.112 -6.774 1.00 1.00 H new ATOM 0 HA ARG A 24 -7.404 -6.440 -4.284 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -6.016 -8.408 -4.098 1.00 1.00 H new ATOM 0 HB3 ARG A 24 -6.568 -8.248 -5.753 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -4.427 -7.843 -6.581 1.00 1.00 H new ATOM 0 HG3 ARG A 24 -3.829 -7.217 -5.058 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -3.401 -9.330 -4.190 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -4.778 -10.059 -4.992 1.00 1.00 H new ATOM 0 HE ARG A 24 -2.491 -9.176 -6.670 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -4.122 -12.020 -5.286 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -3.325 -13.087 -6.447 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -1.635 -10.589 -8.096 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -1.986 -12.315 -7.962 1.00 1.00 H new ATOM 76 N THR A 25 -5.592 -6.277 -2.365 1.00 1.00 N ATOM 77 CA THR A 25 -4.854 -5.855 -1.154 1.00 1.00 C ATOM 78 C THR A 25 -4.188 -7.076 -0.484 1.00 1.00 C ATOM 79 O THR A 25 -4.413 -8.225 -0.872 1.00 1.00 O ATOM 80 CB THR A 25 -5.782 -5.125 -0.137 1.00 1.00 C ATOM 81 OG1 THR A 25 -6.672 -6.020 0.490 1.00 1.00 O ATOM 82 CG2 THR A 25 -6.672 -4.007 -0.692 1.00 1.00 C ATOM 0 H THR A 25 -6.175 -7.094 -2.185 1.00 1.00 H new ATOM 0 HA THR A 25 -4.084 -5.149 -1.465 1.00 1.00 H new ATOM 0 HB THR A 25 -5.051 -4.681 0.539 1.00 1.00 H new ATOM 0 HG1 THR A 25 -7.238 -5.530 1.122 1.00 1.00 H new ATOM 0 HG21 THR A 25 -7.267 -3.581 0.116 1.00 1.00 H new ATOM 0 HG22 THR A 25 -6.048 -3.229 -1.132 1.00 1.00 H new ATOM 0 HG23 THR A 25 -7.335 -4.415 -1.455 1.00 1.00 H new ATOM 90 N ASP A 26 -3.423 -6.838 0.587 1.00 1.00 N ATOM 91 CA ASP A 26 -2.814 -7.815 1.504 1.00 1.00 C ATOM 92 C ASP A 26 -3.874 -8.551 2.388 1.00 1.00 C ATOM 93 O ASP A 26 -3.555 -9.070 3.458 1.00 1.00 O ATOM 94 CB ASP A 26 -1.749 -7.043 2.315 1.00 1.00 C ATOM 95 CG ASP A 26 -0.445 -6.743 1.547 1.00 1.00 C ATOM 96 OD1 ASP A 26 -0.517 -6.177 0.431 1.00 1.00 O ATOM 97 OD2 ASP A 26 0.630 -7.075 2.097 1.00 1.00 O ATOM 0 H ASP A 26 -3.194 -5.882 0.859 1.00 1.00 H new ATOM 0 HA ASP A 26 -2.341 -8.629 0.955 1.00 1.00 H new ATOM 0 HB2 ASP A 26 -2.181 -6.101 2.652 1.00 1.00 H new ATOM 0 HB3 ASP A 26 -1.504 -7.618 3.208 1.00 1.00 H new ATOM 102 N SER A 27 -5.146 -8.568 1.949 1.00 1.00 N ATOM 103 CA SER A 27 -6.318 -9.146 2.631 1.00 1.00 C ATOM 104 C SER A 27 -6.442 -10.682 2.505 1.00 1.00 C ATOM 105 O SER A 27 -5.810 -11.282 1.630 1.00 1.00 O ATOM 106 CB SER A 27 -7.561 -8.507 2.007 1.00 1.00 C ATOM 107 OG SER A 27 -8.547 -8.147 2.949 1.00 1.00 O ATOM 0 H SER A 27 -5.398 -8.152 1.052 1.00 1.00 H new ATOM 0 HA SER A 27 -6.209 -8.940 3.696 1.00 1.00 H new ATOM 0 HB2 SER A 27 -7.262 -7.619 1.450 1.00 1.00 H new ATOM 0 HB3 SER A 27 -7.994 -9.203 1.288 1.00 1.00 H new ATOM 0 HG SER A 27 -8.937 -7.283 2.701 1.00 1.00 H new ATOM 113 N PRO A 28 -7.341 -11.332 3.288 1.00 1.00 N ATOM 114 CA PRO A 28 -7.645 -12.759 3.154 1.00 1.00 C ATOM 115 C PRO A 28 -8.303 -13.132 1.803 1.00 1.00 C ATOM 116 O PRO A 28 -8.034 -14.222 1.310 1.00 1.00 O ATOM 117 CB PRO A 28 -8.547 -13.116 4.342 1.00 1.00 C ATOM 118 CG PRO A 28 -9.214 -11.790 4.707 1.00 1.00 C ATOM 119 CD PRO A 28 -8.199 -10.728 4.298 1.00 1.00 C ATOM 0 HA PRO A 28 -6.719 -13.334 3.162 1.00 1.00 H new ATOM 0 HB2 PRO A 28 -9.283 -13.873 4.072 1.00 1.00 H new ATOM 0 HB3 PRO A 28 -7.970 -13.516 5.176 1.00 1.00 H new ATOM 0 HG2 PRO A 28 -10.158 -11.662 4.178 1.00 1.00 H new ATOM 0 HG3 PRO A 28 -9.436 -11.737 5.773 1.00 1.00 H new ATOM 0 HD2 PRO A 28 -8.701 -9.846 3.901 1.00 1.00 H new ATOM 0 HD3 PRO A 28 -7.613 -10.402 5.158 1.00 1.00 H new ATOM 127 N ASN A 29 -9.125 -12.242 1.204 1.00 1.00 N ATOM 128 CA ASN A 29 -9.789 -12.341 -0.113 1.00 1.00 C ATOM 129 C ASN A 29 -10.537 -11.014 -0.474 1.00 1.00 C ATOM 130 O ASN A 29 -11.769 -10.940 -0.456 1.00 1.00 O ATOM 131 CB ASN A 29 -10.740 -13.568 -0.125 1.00 1.00 C ATOM 132 CG ASN A 29 -10.146 -14.892 -0.574 1.00 1.00 C ATOM 133 OD1 ASN A 29 -9.422 -15.003 -1.552 1.00 1.00 O ATOM 134 ND2 ASN A 29 -10.526 -15.959 0.089 1.00 1.00 N ATOM 0 H ASN A 29 -9.360 -11.364 1.668 1.00 1.00 H new ATOM 0 HA ASN A 29 -9.032 -12.488 -0.883 1.00 1.00 H new ATOM 0 HB2 ASN A 29 -11.138 -13.699 0.881 1.00 1.00 H new ATOM 0 HB3 ASN A 29 -11.584 -13.337 -0.775 1.00 1.00 H new ATOM 0 HD21 ASN A 29 -10.217 -16.883 -0.212 1.00 1.00 H new ATOM 0 HD22 ASN A 29 -11.130 -15.864 0.905 1.00 1.00 H new ATOM 141 N PHE A 30 -9.796 -9.943 -0.803 1.00 1.00 N ATOM 142 CA PHE A 30 -10.336 -8.594 -1.079 1.00 1.00 C ATOM 143 C PHE A 30 -9.916 -8.010 -2.446 1.00 1.00 C ATOM 144 O PHE A 30 -8.723 -7.965 -2.762 1.00 1.00 O ATOM 145 CB PHE A 30 -9.891 -7.681 0.064 1.00 1.00 C ATOM 146 CG PHE A 30 -10.820 -6.566 0.489 1.00 1.00 C ATOM 147 CD1 PHE A 30 -10.996 -5.428 -0.329 1.00 1.00 C ATOM 148 CD2 PHE A 30 -11.486 -6.655 1.734 1.00 1.00 C ATOM 149 CE1 PHE A 30 -11.842 -4.384 0.094 1.00 1.00 C ATOM 150 CE2 PHE A 30 -12.338 -5.609 2.153 1.00 1.00 C ATOM 151 CZ PHE A 30 -12.517 -4.474 1.332 1.00 1.00 C ATOM 0 H PHE A 30 -8.781 -9.988 -0.887 1.00 1.00 H new ATOM 0 HA PHE A 30 -11.422 -8.668 -1.137 1.00 1.00 H new ATOM 0 HB2 PHE A 30 -9.701 -8.307 0.936 1.00 1.00 H new ATOM 0 HB3 PHE A 30 -8.939 -7.232 -0.219 1.00 1.00 H new ATOM 0 HD1 PHE A 30 -10.483 -5.358 -1.277 1.00 1.00 H new ATOM 0 HD2 PHE A 30 -11.343 -7.521 2.363 1.00 1.00 H new ATOM 0 HE1 PHE A 30 -11.975 -3.512 -0.530 1.00 1.00 H new ATOM 0 HE2 PHE A 30 -12.852 -5.677 3.100 1.00 1.00 H new ATOM 0 HZ PHE A 30 -13.170 -3.675 1.650 1.00 1.00 H new ATOM 161 N LEU A 31 -10.895 -7.524 -3.236 1.00 1.00 N ATOM 162 CA LEU A 31 -10.703 -6.894 -4.554 1.00 1.00 C ATOM 163 C LEU A 31 -11.309 -5.466 -4.614 1.00 1.00 C ATOM 164 O LEU A 31 -12.462 -5.251 -4.235 1.00 1.00 O ATOM 165 CB LEU A 31 -11.334 -7.793 -5.642 1.00 1.00 C ATOM 166 CG LEU A 31 -10.797 -9.213 -5.943 1.00 1.00 C ATOM 167 CD1 LEU A 31 -9.286 -9.230 -6.209 1.00 1.00 C ATOM 168 CD2 LEU A 31 -11.163 -10.255 -4.876 1.00 1.00 C ATOM 0 H LEU A 31 -11.877 -7.562 -2.961 1.00 1.00 H new ATOM 0 HA LEU A 31 -9.632 -6.791 -4.729 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -12.388 -7.903 -5.387 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -11.288 -7.235 -6.577 1.00 1.00 H new ATOM 0 HG LEU A 31 -11.309 -9.505 -6.860 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -8.964 -10.251 -6.414 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -9.061 -8.599 -7.069 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -8.758 -8.852 -5.333 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -10.751 -11.224 -5.158 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -10.750 -9.951 -3.914 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -12.248 -10.330 -4.798 1.00 1.00 H new ATOM 180 N CYS A 32 -10.554 -4.498 -5.157 1.00 1.00 N ATOM 181 CA CYS A 32 -10.972 -3.100 -5.367 1.00 1.00 C ATOM 182 C CYS A 32 -10.945 -2.709 -6.864 1.00 1.00 C ATOM 183 O CYS A 32 -10.244 -3.300 -7.679 1.00 1.00 O ATOM 184 CB CYS A 32 -10.077 -2.164 -4.530 1.00 1.00 C ATOM 185 SG CYS A 32 -10.121 -2.519 -2.746 1.00 1.00 S ATOM 0 H CYS A 32 -9.600 -4.672 -5.474 1.00 1.00 H new ATOM 0 HA CYS A 32 -12.005 -2.996 -5.036 1.00 1.00 H new ATOM 0 HB2 CYS A 32 -9.049 -2.246 -4.883 1.00 1.00 H new ATOM 0 HB3 CYS A 32 -10.389 -1.133 -4.695 1.00 1.00 H new ATOM 0 HG CYS A 32 -9.341 -1.689 -2.119 1.00 1.00 H new ATOM 191 N SER A 33 -11.700 -1.677 -7.242 1.00 1.00 N ATOM 192 CA SER A 33 -11.869 -1.152 -8.602 1.00 1.00 C ATOM 193 C SER A 33 -11.846 0.383 -8.573 1.00 1.00 C ATOM 194 O SER A 33 -12.835 1.028 -8.217 1.00 1.00 O ATOM 195 CB SER A 33 -13.159 -1.708 -9.221 1.00 1.00 C ATOM 196 OG SER A 33 -13.154 -1.549 -10.625 1.00 1.00 O ATOM 0 H SER A 33 -12.247 -1.149 -6.562 1.00 1.00 H new ATOM 0 HA SER A 33 -11.042 -1.478 -9.233 1.00 1.00 H new ATOM 0 HB2 SER A 33 -13.261 -2.764 -8.971 1.00 1.00 H new ATOM 0 HB3 SER A 33 -14.022 -1.195 -8.796 1.00 1.00 H new ATOM 0 HG SER A 33 -13.984 -1.912 -10.998 1.00 1.00 H new ATOM 202 N VAL A 34 -10.671 0.947 -8.886 1.00 1.00 N ATOM 203 CA VAL A 34 -10.367 2.385 -9.028 1.00 1.00 C ATOM 204 C VAL A 34 -9.237 2.592 -10.057 1.00 1.00 C ATOM 205 O VAL A 34 -8.280 1.818 -10.098 1.00 1.00 O ATOM 206 CB VAL A 34 -10.023 3.039 -7.660 1.00 1.00 C ATOM 207 CG1 VAL A 34 -8.818 2.416 -6.925 1.00 1.00 C ATOM 208 CG2 VAL A 34 -9.793 4.557 -7.802 1.00 1.00 C ATOM 0 H VAL A 34 -9.846 0.372 -9.060 1.00 1.00 H new ATOM 0 HA VAL A 34 -11.262 2.886 -9.397 1.00 1.00 H new ATOM 0 HB VAL A 34 -10.901 2.841 -7.046 1.00 1.00 H new ATOM 0 HG11 VAL A 34 -8.657 2.939 -5.982 1.00 1.00 H new ATOM 0 HG12 VAL A 34 -9.018 1.363 -6.726 1.00 1.00 H new ATOM 0 HG13 VAL A 34 -7.927 2.505 -7.546 1.00 1.00 H new ATOM 0 HG21 VAL A 34 -9.555 4.982 -6.827 1.00 1.00 H new ATOM 0 HG22 VAL A 34 -8.965 4.737 -8.488 1.00 1.00 H new ATOM 0 HG23 VAL A 34 -10.696 5.027 -8.192 1.00 1.00 H new ATOM 218 N LEU A 35 -9.363 3.641 -10.883 1.00 1.00 N ATOM 219 CA LEU A 35 -8.382 4.058 -11.892 1.00 1.00 C ATOM 220 C LEU A 35 -7.114 4.715 -11.271 1.00 1.00 C ATOM 221 O LEU A 35 -6.041 4.119 -11.403 1.00 1.00 O ATOM 222 CB LEU A 35 -9.110 4.919 -12.948 1.00 1.00 C ATOM 223 CG LEU A 35 -8.244 5.476 -14.099 1.00 1.00 C ATOM 224 CD1 LEU A 35 -8.096 4.397 -15.175 1.00 1.00 C ATOM 225 CD2 LEU A 35 -8.856 6.741 -14.713 1.00 1.00 C ATOM 0 H LEU A 35 -10.184 4.245 -10.864 1.00 1.00 H new ATOM 0 HA LEU A 35 -7.973 3.184 -12.398 1.00 1.00 H new ATOM 0 HB2 LEU A 35 -9.911 4.321 -13.382 1.00 1.00 H new ATOM 0 HB3 LEU A 35 -9.580 5.759 -12.438 1.00 1.00 H new ATOM 0 HG LEU A 35 -7.269 5.748 -13.695 1.00 1.00 H new ATOM 0 HD11 LEU A 35 -7.486 4.780 -15.993 1.00 1.00 H new ATOM 0 HD12 LEU A 35 -7.616 3.518 -14.745 1.00 1.00 H new ATOM 0 HD13 LEU A 35 -9.081 4.124 -15.554 1.00 1.00 H new ATOM 0 HD21 LEU A 35 -8.216 7.101 -15.519 1.00 1.00 H new ATOM 0 HD22 LEU A 35 -9.845 6.511 -15.110 1.00 1.00 H new ATOM 0 HD23 LEU A 35 -8.943 7.512 -13.947 1.00 1.00 H new ATOM 237 N PRO A 36 -7.176 5.911 -10.627 1.00 1.00 N ATOM 238 CA PRO A 36 -6.012 6.577 -10.029 1.00 1.00 C ATOM 239 C PRO A 36 -5.412 5.805 -8.831 1.00 1.00 C ATOM 240 O PRO A 36 -6.133 5.255 -8.000 1.00 1.00 O ATOM 241 CB PRO A 36 -6.480 7.980 -9.627 1.00 1.00 C ATOM 242 CG PRO A 36 -7.990 7.838 -9.465 1.00 1.00 C ATOM 243 CD PRO A 36 -8.363 6.740 -10.454 1.00 1.00 C ATOM 0 HA PRO A 36 -5.197 6.620 -10.752 1.00 1.00 H new ATOM 0 HB2 PRO A 36 -6.009 8.307 -8.700 1.00 1.00 H new ATOM 0 HB3 PRO A 36 -6.229 8.717 -10.389 1.00 1.00 H new ATOM 0 HG2 PRO A 36 -8.258 7.565 -8.445 1.00 1.00 H new ATOM 0 HG3 PRO A 36 -8.506 8.771 -9.691 1.00 1.00 H new ATOM 0 HD2 PRO A 36 -9.197 6.148 -10.078 1.00 1.00 H new ATOM 0 HD3 PRO A 36 -8.679 7.167 -11.406 1.00 1.00 H new ATOM 251 N THR A 37 -4.072 5.815 -8.715 1.00 1.00 N ATOM 252 CA THR A 37 -3.270 5.224 -7.615 1.00 1.00 C ATOM 253 C THR A 37 -2.281 6.214 -6.962 1.00 1.00 C ATOM 254 O THR A 37 -2.172 6.224 -5.740 1.00 1.00 O ATOM 255 CB THR A 37 -2.466 3.955 -8.027 1.00 1.00 C ATOM 256 OG1 THR A 37 -3.049 3.168 -9.049 1.00 1.00 O ATOM 257 CG2 THR A 37 -2.267 3.040 -6.813 1.00 1.00 C ATOM 0 H THR A 37 -3.483 6.258 -9.420 1.00 1.00 H new ATOM 0 HA THR A 37 -4.035 4.945 -6.891 1.00 1.00 H new ATOM 0 HB THR A 37 -1.530 4.352 -8.419 1.00 1.00 H new ATOM 0 HG1 THR A 37 -3.751 2.601 -8.666 1.00 1.00 H new ATOM 0 HG21 THR A 37 -1.704 2.156 -7.112 1.00 1.00 H new ATOM 0 HG22 THR A 37 -1.717 3.576 -6.040 1.00 1.00 H new ATOM 0 HG23 THR A 37 -3.239 2.737 -6.423 1.00 1.00 H new ATOM 265 N HIS A 38 -1.496 7.000 -7.728 1.00 1.00 N ATOM 266 CA HIS A 38 -0.523 8.008 -7.221 1.00 1.00 C ATOM 267 C HIS A 38 -0.548 9.319 -8.053 1.00 1.00 C ATOM 268 O HIS A 38 0.426 9.683 -8.700 1.00 1.00 O ATOM 269 CB HIS A 38 0.917 7.437 -7.129 1.00 1.00 C ATOM 270 CG HIS A 38 1.267 6.219 -6.295 1.00 1.00 C ATOM 271 ND1 HIS A 38 0.420 5.408 -5.568 1.00 1.00 N ATOM 272 CD2 HIS A 38 2.531 5.708 -6.189 1.00 1.00 C ATOM 273 CE1 HIS A 38 1.148 4.381 -5.078 1.00 1.00 C ATOM 274 NE2 HIS A 38 2.442 4.556 -5.424 1.00 1.00 N ATOM 0 H HIS A 38 -1.517 6.955 -8.747 1.00 1.00 H new ATOM 0 HA HIS A 38 -0.844 8.256 -6.209 1.00 1.00 H new ATOM 0 HB2 HIS A 38 1.228 7.214 -8.150 1.00 1.00 H new ATOM 0 HB3 HIS A 38 1.551 8.249 -6.773 1.00 1.00 H new ATOM 0 HD1 HIS A 38 -0.579 5.557 -5.426 1.00 1.00 H new ATOM 0 HD2 HIS A 38 3.430 6.124 -6.620 1.00 1.00 H new ATOM 0 HE1 HIS A 38 0.759 3.554 -4.503 1.00 1.00 H new ATOM 283 N TRP A 39 -1.690 10.008 -8.049 1.00 1.00 N ATOM 284 CA TRP A 39 -2.008 11.328 -8.624 1.00 1.00 C ATOM 285 C TRP A 39 -2.911 12.133 -7.669 1.00 1.00 C ATOM 286 O TRP A 39 -3.638 11.546 -6.864 1.00 1.00 O ATOM 287 CB TRP A 39 -2.644 11.169 -10.030 1.00 1.00 C ATOM 288 CG TRP A 39 -4.015 11.721 -10.326 1.00 1.00 C ATOM 289 CD1 TRP A 39 -5.138 11.446 -9.622 1.00 1.00 C ATOM 290 CD2 TRP A 39 -4.420 12.672 -11.366 1.00 1.00 C ATOM 291 NE1 TRP A 39 -6.191 12.187 -10.112 1.00 1.00 N ATOM 292 CE2 TRP A 39 -5.816 12.952 -11.198 1.00 1.00 C ATOM 293 CE3 TRP A 39 -3.760 13.337 -12.431 1.00 1.00 C ATOM 294 CZ2 TRP A 39 -6.507 13.846 -12.042 1.00 1.00 C ATOM 295 CZ3 TRP A 39 -4.450 14.206 -13.307 1.00 1.00 C ATOM 296 CH2 TRP A 39 -5.825 14.460 -13.110 1.00 1.00 C ATOM 0 H TRP A 39 -2.512 9.614 -7.592 1.00 1.00 H new ATOM 0 HA TRP A 39 -1.083 11.892 -8.746 1.00 1.00 H new ATOM 0 HB2 TRP A 39 -1.956 11.621 -10.745 1.00 1.00 H new ATOM 0 HB3 TRP A 39 -2.675 10.101 -10.248 1.00 1.00 H new ATOM 0 HD1 TRP A 39 -5.199 10.750 -8.799 1.00 1.00 H new ATOM 0 HE1 TRP A 39 -7.133 12.172 -9.720 1.00 1.00 H new ATOM 0 HE3 TRP A 39 -2.702 13.175 -12.577 1.00 1.00 H new ATOM 0 HZ2 TRP A 39 -7.552 14.058 -11.870 1.00 1.00 H new ATOM 0 HZ3 TRP A 39 -3.926 14.675 -14.126 1.00 1.00 H new ATOM 0 HH2 TRP A 39 -6.353 15.125 -13.778 1.00 1.00 H new ATOM 307 N ARG A 40 -2.911 13.470 -7.791 1.00 1.00 N ATOM 308 CA ARG A 40 -3.729 14.410 -7.008 1.00 1.00 C ATOM 309 C ARG A 40 -5.243 14.318 -7.324 1.00 1.00 C ATOM 310 O ARG A 40 -5.686 14.840 -8.346 1.00 1.00 O ATOM 311 CB ARG A 40 -3.187 15.829 -7.251 1.00 1.00 C ATOM 312 CG ARG A 40 -3.980 16.902 -6.489 1.00 1.00 C ATOM 313 CD ARG A 40 -3.750 18.321 -7.007 1.00 1.00 C ATOM 314 NE ARG A 40 -4.550 18.541 -8.219 1.00 1.00 N ATOM 315 CZ ARG A 40 -5.445 19.480 -8.439 1.00 1.00 C ATOM 316 NH1 ARG A 40 -5.713 20.425 -7.581 1.00 1.00 N ATOM 317 NH2 ARG A 40 -6.101 19.488 -9.563 1.00 1.00 N ATOM 0 H ARG A 40 -2.315 13.946 -8.468 1.00 1.00 H new ATOM 0 HA ARG A 40 -3.648 14.145 -5.954 1.00 1.00 H new ATOM 0 HB2 ARG A 40 -2.141 15.871 -6.948 1.00 1.00 H new ATOM 0 HB3 ARG A 40 -3.219 16.048 -8.318 1.00 1.00 H new ATOM 0 HG2 ARG A 40 -5.043 16.669 -6.553 1.00 1.00 H new ATOM 0 HG3 ARG A 40 -3.708 16.861 -5.434 1.00 1.00 H new ATOM 0 HD2 ARG A 40 -4.025 19.047 -6.242 1.00 1.00 H new ATOM 0 HD3 ARG A 40 -2.693 18.472 -7.225 1.00 1.00 H new ATOM 0 HE ARG A 40 -4.392 17.885 -8.984 1.00 1.00 H new ATOM 0 HH11 ARG A 40 -5.219 20.460 -6.689 1.00 1.00 H new ATOM 0 HH12 ARG A 40 -6.417 21.129 -7.802 1.00 1.00 H new ATOM 0 HH21 ARG A 40 -5.919 18.770 -10.265 1.00 1.00 H new ATOM 0 HH22 ARG A 40 -6.797 20.212 -9.742 1.00 1.00 H new ATOM 331 N CYS A 41 -5.999 13.702 -6.400 1.00 1.00 N ATOM 332 CA CYS A 41 -7.473 13.614 -6.293 1.00 1.00 C ATOM 333 C CYS A 41 -8.133 12.345 -6.888 1.00 1.00 C ATOM 334 O CYS A 41 -8.146 12.158 -8.106 1.00 1.00 O ATOM 335 CB CYS A 41 -8.105 14.920 -6.814 1.00 1.00 C ATOM 336 SG CYS A 41 -9.731 15.284 -6.117 1.00 1.00 S ATOM 0 H CYS A 41 -5.553 13.202 -5.631 1.00 1.00 H new ATOM 0 HA CYS A 41 -7.687 13.497 -5.231 1.00 1.00 H new ATOM 0 HB2 CYS A 41 -7.433 15.749 -6.593 1.00 1.00 H new ATOM 0 HB3 CYS A 41 -8.192 14.861 -7.899 1.00 1.00 H new ATOM 0 HG CYS A 41 -10.633 14.570 -6.723 1.00 1.00 H new ATOM 342 N ASN A 42 -8.721 11.497 -6.019 1.00 1.00 N ATOM 343 CA ASN A 42 -9.554 10.318 -6.331 1.00 1.00 C ATOM 344 C ASN A 42 -10.787 10.667 -7.208 1.00 1.00 C ATOM 345 O ASN A 42 -10.849 10.301 -8.381 1.00 1.00 O ATOM 346 CB ASN A 42 -9.961 9.659 -4.984 1.00 1.00 C ATOM 347 CG ASN A 42 -10.713 8.329 -5.100 1.00 1.00 C ATOM 348 OD1 ASN A 42 -10.337 7.450 -5.848 1.00 1.00 O ATOM 349 ND2 ASN A 42 -11.766 8.082 -4.343 1.00 1.00 N ATOM 0 H ASN A 42 -8.619 11.627 -5.012 1.00 1.00 H new ATOM 0 HA ASN A 42 -8.977 9.616 -6.933 1.00 1.00 H new ATOM 0 HB2 ASN A 42 -9.060 9.496 -4.392 1.00 1.00 H new ATOM 0 HB3 ASN A 42 -10.584 10.361 -4.430 1.00 1.00 H new ATOM 0 HD21 ASN A 42 -12.234 7.177 -4.399 1.00 1.00 H new ATOM 0 HD22 ASN A 42 -12.112 8.796 -3.702 1.00 1.00 H new ATOM 356 N LYS A 43 -11.774 11.356 -6.608 1.00 1.00 N ATOM 357 CA LYS A 43 -13.013 11.870 -7.225 1.00 1.00 C ATOM 358 C LYS A 43 -12.792 13.163 -8.043 1.00 1.00 C ATOM 359 O LYS A 43 -11.778 13.847 -7.893 1.00 1.00 O ATOM 360 CB LYS A 43 -14.049 12.066 -6.104 1.00 1.00 C ATOM 361 CG LYS A 43 -15.483 12.172 -6.637 1.00 1.00 C ATOM 362 CD LYS A 43 -16.513 12.623 -5.600 1.00 1.00 C ATOM 363 CE LYS A 43 -16.853 11.533 -4.582 1.00 1.00 C ATOM 364 NZ LYS A 43 -17.412 12.106 -3.340 1.00 1.00 N ATOM 0 H LYS A 43 -11.726 11.584 -5.615 1.00 1.00 H new ATOM 0 HA LYS A 43 -13.377 11.144 -7.952 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -13.986 11.231 -5.406 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -13.806 12.969 -5.544 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -15.496 12.873 -7.472 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -15.784 11.201 -7.031 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -16.131 13.498 -5.074 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -17.425 12.932 -6.112 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -17.570 10.838 -5.018 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -15.956 10.960 -4.348 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -17.631 11.340 -2.672 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -16.717 12.750 -2.912 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -18.282 12.632 -3.561 1.00 1.00 H new ATOM 377 N THR A 44 -13.786 13.527 -8.870 1.00 1.00 N ATOM 378 CA THR A 44 -13.847 14.639 -9.878 1.00 1.00 C ATOM 379 C THR A 44 -13.392 14.185 -11.292 1.00 1.00 C ATOM 380 O THR A 44 -13.536 14.937 -12.250 1.00 1.00 O ATOM 381 CB THR A 44 -13.112 15.969 -9.490 1.00 1.00 C ATOM 382 OG1 THR A 44 -12.950 16.132 -8.098 1.00 1.00 O ATOM 383 CG2 THR A 44 -13.823 17.244 -9.965 1.00 1.00 C ATOM 0 H THR A 44 -14.664 13.007 -8.861 1.00 1.00 H new ATOM 0 HA THR A 44 -14.909 14.883 -9.889 1.00 1.00 H new ATOM 0 HB THR A 44 -12.153 15.854 -9.995 1.00 1.00 H new ATOM 0 HG1 THR A 44 -12.231 15.546 -7.782 1.00 1.00 H new ATOM 0 HG21 THR A 44 -13.249 18.117 -9.656 1.00 1.00 H new ATOM 0 HG22 THR A 44 -13.906 17.231 -11.052 1.00 1.00 H new ATOM 0 HG23 THR A 44 -14.819 17.290 -9.525 1.00 1.00 H new ATOM 391 N LEU A 45 -12.854 12.961 -11.416 1.00 1.00 N ATOM 392 CA LEU A 45 -12.368 12.270 -12.614 1.00 1.00 C ATOM 393 C LEU A 45 -13.499 11.649 -13.484 1.00 1.00 C ATOM 394 O LEU A 45 -14.588 11.377 -12.969 1.00 1.00 O ATOM 395 CB LEU A 45 -11.433 11.151 -12.100 1.00 1.00 C ATOM 396 CG LEU A 45 -9.962 11.480 -11.778 1.00 1.00 C ATOM 397 CD1 LEU A 45 -9.147 11.680 -13.064 1.00 1.00 C ATOM 398 CD2 LEU A 45 -9.817 12.685 -10.841 1.00 1.00 C ATOM 0 H LEU A 45 -12.738 12.372 -10.591 1.00 1.00 H new ATOM 0 HA LEU A 45 -11.868 12.988 -13.265 1.00 1.00 H new ATOM 0 HB2 LEU A 45 -11.882 10.740 -11.195 1.00 1.00 H new ATOM 0 HB3 LEU A 45 -11.434 10.356 -12.846 1.00 1.00 H new ATOM 0 HG LEU A 45 -9.559 10.619 -11.245 1.00 1.00 H new ATOM 0 HD11 LEU A 45 -8.113 11.911 -12.807 1.00 1.00 H new ATOM 0 HD12 LEU A 45 -9.178 10.768 -13.660 1.00 1.00 H new ATOM 0 HD13 LEU A 45 -9.571 12.503 -13.639 1.00 1.00 H new ATOM 0 HD21 LEU A 45 -8.760 12.871 -10.648 1.00 1.00 H new ATOM 0 HD22 LEU A 45 -10.261 13.564 -11.308 1.00 1.00 H new ATOM 0 HD23 LEU A 45 -10.326 12.477 -9.900 1.00 1.00 H new ATOM 410 N PRO A 46 -13.228 11.306 -14.767 1.00 1.00 N ATOM 411 CA PRO A 46 -14.152 10.591 -15.667 1.00 1.00 C ATOM 412 C PRO A 46 -14.342 9.075 -15.357 1.00 1.00 C ATOM 413 O PRO A 46 -14.601 8.281 -16.260 1.00 1.00 O ATOM 414 CB PRO A 46 -13.604 10.834 -17.081 1.00 1.00 C ATOM 415 CG PRO A 46 -12.106 11.022 -16.868 1.00 1.00 C ATOM 416 CD PRO A 46 -11.977 11.598 -15.459 1.00 1.00 C ATOM 0 HA PRO A 46 -15.163 10.977 -15.536 1.00 1.00 H new ATOM 0 HB2 PRO A 46 -13.811 9.991 -17.740 1.00 1.00 H new ATOM 0 HB3 PRO A 46 -14.056 11.714 -17.539 1.00 1.00 H new ATOM 0 HG2 PRO A 46 -11.573 10.076 -16.958 1.00 1.00 H new ATOM 0 HG3 PRO A 46 -11.683 11.698 -17.611 1.00 1.00 H new ATOM 0 HD2 PRO A 46 -11.132 11.151 -14.935 1.00 1.00 H new ATOM 0 HD3 PRO A 46 -11.797 12.672 -15.496 1.00 1.00 H new ATOM 424 N ILE A 47 -14.206 8.664 -14.084 1.00 1.00 N ATOM 425 CA ILE A 47 -14.333 7.311 -13.512 1.00 1.00 C ATOM 426 C ILE A 47 -14.920 7.384 -12.078 1.00 1.00 C ATOM 427 O ILE A 47 -15.081 8.452 -11.487 1.00 1.00 O ATOM 428 CB ILE A 47 -12.976 6.531 -13.556 1.00 1.00 C ATOM 429 CG1 ILE A 47 -11.736 7.326 -13.097 1.00 1.00 C ATOM 430 CG2 ILE A 47 -12.681 5.951 -14.953 1.00 1.00 C ATOM 431 CD1 ILE A 47 -11.604 7.622 -11.601 1.00 1.00 C ATOM 0 H ILE A 47 -13.981 9.341 -13.355 1.00 1.00 H new ATOM 0 HA ILE A 47 -15.030 6.745 -14.129 1.00 1.00 H new ATOM 0 HB ILE A 47 -13.137 5.734 -12.830 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -10.848 6.777 -13.411 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -11.729 8.276 -13.631 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -11.730 5.419 -14.933 1.00 1.00 H new ATOM 0 HG22 ILE A 47 -13.476 5.261 -15.236 1.00 1.00 H new ATOM 0 HG23 ILE A 47 -12.628 6.762 -15.680 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -10.689 8.186 -11.421 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -12.462 8.207 -11.269 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -11.568 6.684 -11.046 1.00 1.00 H new ATOM 443 N ALA A 48 -15.224 6.211 -11.520 1.00 1.00 N ATOM 444 CA ALA A 48 -15.810 5.940 -10.195 1.00 1.00 C ATOM 445 C ALA A 48 -15.034 4.828 -9.418 1.00 1.00 C ATOM 446 O ALA A 48 -14.032 4.294 -9.904 1.00 1.00 O ATOM 447 CB ALA A 48 -17.311 5.637 -10.406 1.00 1.00 C ATOM 0 H ALA A 48 -15.052 5.343 -12.027 1.00 1.00 H new ATOM 0 HA ALA A 48 -15.717 6.811 -9.547 1.00 1.00 H new ATOM 0 HB1 ALA A 48 -17.779 5.431 -9.444 1.00 1.00 H new ATOM 0 HB2 ALA A 48 -17.795 6.498 -10.868 1.00 1.00 H new ATOM 0 HB3 ALA A 48 -17.419 4.768 -11.056 1.00 1.00 H new ATOM 453 N PHE A 49 -15.491 4.489 -8.200 1.00 1.00 N ATOM 454 CA PHE A 49 -14.904 3.514 -7.266 1.00 1.00 C ATOM 455 C PHE A 49 -15.865 2.361 -6.911 1.00 1.00 C ATOM 456 O PHE A 49 -17.065 2.573 -6.698 1.00 1.00 O ATOM 457 CB PHE A 49 -14.528 4.262 -5.981 1.00 1.00 C ATOM 458 CG PHE A 49 -13.285 3.841 -5.228 1.00 1.00 C ATOM 459 CD1 PHE A 49 -13.266 2.672 -4.430 1.00 1.00 C ATOM 460 CD2 PHE A 49 -12.155 4.684 -5.259 1.00 1.00 C ATOM 461 CE1 PHE A 49 -12.111 2.343 -3.687 1.00 1.00 C ATOM 462 CE2 PHE A 49 -11.010 4.371 -4.493 1.00 1.00 C ATOM 463 CZ PHE A 49 -10.983 3.192 -3.718 1.00 1.00 C ATOM 0 H PHE A 49 -16.334 4.917 -7.818 1.00 1.00 H new ATOM 0 HA PHE A 49 -14.037 3.065 -7.750 1.00 1.00 H new ATOM 0 HB2 PHE A 49 -14.419 5.317 -6.233 1.00 1.00 H new ATOM 0 HB3 PHE A 49 -15.371 4.184 -5.295 1.00 1.00 H new ATOM 0 HD1 PHE A 49 -14.135 2.032 -4.389 1.00 1.00 H new ATOM 0 HD2 PHE A 49 -12.165 5.573 -5.871 1.00 1.00 H new ATOM 0 HE1 PHE A 49 -12.090 1.441 -3.094 1.00 1.00 H new ATOM 0 HE2 PHE A 49 -10.157 5.033 -4.501 1.00 1.00 H new ATOM 0 HZ PHE A 49 -10.100 2.939 -3.149 1.00 1.00 H new ATOM 473 N LYS A 50 -15.317 1.144 -6.762 1.00 1.00 N ATOM 474 CA LYS A 50 -16.001 -0.071 -6.289 1.00 1.00 C ATOM 475 C LYS A 50 -15.042 -0.978 -5.500 1.00 1.00 C ATOM 476 O LYS A 50 -13.852 -1.027 -5.798 1.00 1.00 O ATOM 477 CB LYS A 50 -16.564 -0.872 -7.487 1.00 1.00 C ATOM 478 CG LYS A 50 -17.380 -0.057 -8.506 1.00 1.00 C ATOM 479 CD LYS A 50 -18.160 -0.924 -9.496 1.00 1.00 C ATOM 480 CE LYS A 50 -19.022 -0.023 -10.381 1.00 1.00 C ATOM 481 NZ LYS A 50 -19.727 -0.796 -11.422 1.00 1.00 N ATOM 0 H LYS A 50 -14.335 0.972 -6.979 1.00 1.00 H new ATOM 0 HA LYS A 50 -16.814 0.246 -5.635 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -15.732 -1.344 -8.009 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -17.194 -1.674 -7.101 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -18.078 0.586 -7.970 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -16.706 0.596 -9.060 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -17.472 -1.506 -10.109 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -18.788 -1.635 -8.959 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -19.749 0.505 -9.764 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -18.394 0.734 -10.852 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -20.302 -0.153 -12.003 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -19.032 -1.280 -12.026 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -20.345 -1.501 -10.972 1.00 1.00 H new ATOM 494 N VAL A 51 -15.544 -1.688 -4.488 1.00 1.00 N ATOM 495 CA VAL A 51 -14.816 -2.778 -3.781 1.00 1.00 C ATOM 496 C VAL A 51 -15.756 -3.967 -3.574 1.00 1.00 C ATOM 497 O VAL A 51 -16.906 -3.765 -3.183 1.00 1.00 O ATOM 498 CB VAL A 51 -14.018 -2.407 -2.493 1.00 1.00 C ATOM 499 CG1 VAL A 51 -13.384 -1.003 -2.520 1.00 1.00 C ATOM 500 CG2 VAL A 51 -14.744 -2.662 -1.157 1.00 1.00 C ATOM 0 H VAL A 51 -16.482 -1.530 -4.120 1.00 1.00 H new ATOM 0 HA VAL A 51 -13.999 -3.044 -4.452 1.00 1.00 H new ATOM 0 HB VAL A 51 -13.204 -3.131 -2.526 1.00 1.00 H new ATOM 0 HG11 VAL A 51 -12.849 -0.827 -1.587 1.00 1.00 H new ATOM 0 HG12 VAL A 51 -12.688 -0.934 -3.356 1.00 1.00 H new ATOM 0 HG13 VAL A 51 -14.166 -0.253 -2.636 1.00 1.00 H new ATOM 0 HG21 VAL A 51 -14.098 -2.369 -0.330 1.00 1.00 H new ATOM 0 HG22 VAL A 51 -15.663 -2.077 -1.125 1.00 1.00 H new ATOM 0 HG23 VAL A 51 -14.986 -3.721 -1.071 1.00 1.00 H new ATOM 510 N VAL A 52 -15.269 -5.180 -3.845 1.00 1.00 N ATOM 511 CA VAL A 52 -15.979 -6.457 -3.633 1.00 1.00 C ATOM 512 C VAL A 52 -15.001 -7.451 -2.987 1.00 1.00 C ATOM 513 O VAL A 52 -13.983 -7.816 -3.587 1.00 1.00 O ATOM 514 CB VAL A 52 -16.571 -7.017 -4.960 1.00 1.00 C ATOM 515 CG1 VAL A 52 -17.348 -8.329 -4.725 1.00 1.00 C ATOM 516 CG2 VAL A 52 -17.534 -6.028 -5.650 1.00 1.00 C ATOM 0 H VAL A 52 -14.335 -5.312 -4.233 1.00 1.00 H new ATOM 0 HA VAL A 52 -16.829 -6.294 -2.970 1.00 1.00 H new ATOM 0 HB VAL A 52 -15.708 -7.190 -5.603 1.00 1.00 H new ATOM 0 HG11 VAL A 52 -17.747 -8.690 -5.673 1.00 1.00 H new ATOM 0 HG12 VAL A 52 -16.678 -9.078 -4.304 1.00 1.00 H new ATOM 0 HG13 VAL A 52 -18.169 -8.146 -4.032 1.00 1.00 H new ATOM 0 HG21 VAL A 52 -17.915 -6.473 -6.569 1.00 1.00 H new ATOM 0 HG22 VAL A 52 -18.366 -5.805 -4.983 1.00 1.00 H new ATOM 0 HG23 VAL A 52 -17.002 -5.107 -5.886 1.00 1.00 H new ATOM 526 N ALA A 53 -15.317 -7.909 -1.773 1.00 1.00 N ATOM 527 CA ALA A 53 -14.581 -8.960 -1.065 1.00 1.00 C ATOM 528 C ALA A 53 -15.257 -10.347 -1.228 1.00 1.00 C ATOM 529 O ALA A 53 -16.440 -10.453 -1.561 1.00 1.00 O ATOM 530 CB ALA A 53 -14.390 -8.523 0.395 1.00 1.00 C ATOM 0 H ALA A 53 -16.111 -7.551 -1.242 1.00 1.00 H new ATOM 0 HA ALA A 53 -13.593 -9.091 -1.505 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -13.843 -9.295 0.937 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -13.827 -7.590 0.425 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -15.364 -8.374 0.860 1.00 1.00 H new ATOM 536 N LEU A 54 -14.488 -11.419 -0.995 1.00 1.00 N ATOM 537 CA LEU A 54 -14.911 -12.826 -1.108 1.00 1.00 C ATOM 538 C LEU A 54 -14.751 -13.580 0.232 1.00 1.00 C ATOM 539 O LEU A 54 -13.644 -13.782 0.730 1.00 1.00 O ATOM 540 CB LEU A 54 -14.134 -13.455 -2.280 1.00 1.00 C ATOM 541 CG LEU A 54 -14.849 -13.409 -3.648 1.00 1.00 C ATOM 542 CD1 LEU A 54 -13.808 -13.271 -4.762 1.00 1.00 C ATOM 543 CD2 LEU A 54 -15.701 -14.664 -3.889 1.00 1.00 C ATOM 0 H LEU A 54 -13.513 -11.328 -0.711 1.00 1.00 H new ATOM 0 HA LEU A 54 -15.977 -12.896 -1.326 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -13.175 -12.946 -2.373 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -13.920 -14.495 -2.035 1.00 1.00 H new ATOM 0 HG LEU A 54 -15.518 -12.548 -3.649 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -14.311 -13.238 -5.728 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -13.240 -12.352 -4.617 1.00 1.00 H new ATOM 0 HD13 LEU A 54 -13.130 -14.124 -4.734 1.00 1.00 H new ATOM 0 HD21 LEU A 54 -16.187 -14.592 -4.862 1.00 1.00 H new ATOM 0 HD22 LEU A 54 -15.062 -15.547 -3.867 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -16.459 -14.744 -3.110 1.00 1.00 H new ATOM 555 N GLY A 55 -15.883 -14.021 0.800 1.00 1.00 N ATOM 556 CA GLY A 55 -15.993 -14.614 2.143 1.00 1.00 C ATOM 557 C GLY A 55 -16.317 -13.571 3.230 1.00 1.00 C ATOM 558 O GLY A 55 -16.263 -12.362 2.989 1.00 1.00 O ATOM 0 H GLY A 55 -16.781 -13.973 0.319 1.00 1.00 H new ATOM 0 HA2 GLY A 55 -16.770 -15.378 2.136 1.00 1.00 H new ATOM 0 HA3 GLY A 55 -15.057 -15.114 2.393 1.00 1.00 H new ATOM 562 N ASP A 56 -16.643 -14.056 4.441 1.00 1.00 N ATOM 563 CA ASP A 56 -17.126 -13.269 5.592 1.00 1.00 C ATOM 564 C ASP A 56 -18.486 -12.541 5.355 1.00 1.00 C ATOM 565 O ASP A 56 -19.199 -12.845 4.397 1.00 1.00 O ATOM 566 CB ASP A 56 -15.967 -12.355 6.062 1.00 1.00 C ATOM 567 CG ASP A 56 -15.696 -12.402 7.562 1.00 1.00 C ATOM 568 OD1 ASP A 56 -16.682 -12.198 8.312 1.00 1.00 O ATOM 569 OD2 ASP A 56 -14.522 -12.646 7.915 1.00 1.00 O ATOM 0 H ASP A 56 -16.574 -15.051 4.655 1.00 1.00 H new ATOM 0 HA ASP A 56 -17.390 -13.946 6.405 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -15.058 -12.640 5.532 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -16.193 -11.327 5.778 1.00 1.00 H new ATOM 574 N VAL A 57 -18.845 -11.634 6.278 1.00 1.00 N ATOM 575 CA VAL A 57 -19.981 -10.662 6.314 1.00 1.00 C ATOM 576 C VAL A 57 -20.089 -10.028 7.731 1.00 1.00 C ATOM 577 O VAL A 57 -20.977 -10.386 8.505 1.00 1.00 O ATOM 578 CB VAL A 57 -21.321 -11.178 5.693 1.00 1.00 C ATOM 579 CG1 VAL A 57 -21.893 -12.469 6.308 1.00 1.00 C ATOM 580 CG2 VAL A 57 -22.419 -10.097 5.662 1.00 1.00 C ATOM 0 H VAL A 57 -18.285 -11.543 7.126 1.00 1.00 H new ATOM 0 HA VAL A 57 -19.746 -9.853 5.622 1.00 1.00 H new ATOM 0 HB VAL A 57 -21.023 -11.431 4.676 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -22.821 -12.733 5.801 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -21.172 -13.278 6.191 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -22.091 -12.310 7.368 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -23.325 -10.512 5.221 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -22.630 -9.763 6.678 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -22.080 -9.251 5.065 1.00 1.00 H new ATOM 590 N PRO A 58 -19.153 -9.111 8.110 1.00 1.00 N ATOM 591 CA PRO A 58 -19.026 -8.526 9.460 1.00 1.00 C ATOM 592 C PRO A 58 -19.744 -7.173 9.732 1.00 1.00 C ATOM 593 O PRO A 58 -19.549 -6.608 10.806 1.00 1.00 O ATOM 594 CB PRO A 58 -17.514 -8.351 9.649 1.00 1.00 C ATOM 595 CG PRO A 58 -17.034 -7.991 8.243 1.00 1.00 C ATOM 596 CD PRO A 58 -17.999 -8.712 7.307 1.00 1.00 C ATOM 0 HA PRO A 58 -19.525 -9.195 10.161 1.00 1.00 H new ATOM 0 HB2 PRO A 58 -17.285 -7.564 10.368 1.00 1.00 H new ATOM 0 HB3 PRO A 58 -17.044 -9.264 10.015 1.00 1.00 H new ATOM 0 HG2 PRO A 58 -17.056 -6.913 8.081 1.00 1.00 H new ATOM 0 HG3 PRO A 58 -16.007 -8.317 8.080 1.00 1.00 H new ATOM 0 HD2 PRO A 58 -18.305 -8.059 6.490 1.00 1.00 H new ATOM 0 HD3 PRO A 58 -17.522 -9.583 6.857 1.00 1.00 H new ATOM 604 N ASP A 59 -20.524 -6.646 8.772 1.00 1.00 N ATOM 605 CA ASP A 59 -21.349 -5.422 8.767 1.00 1.00 C ATOM 606 C ASP A 59 -20.895 -4.209 9.640 1.00 1.00 C ATOM 607 O ASP A 59 -21.256 -4.089 10.811 1.00 1.00 O ATOM 608 CB ASP A 59 -22.817 -5.839 8.987 1.00 1.00 C ATOM 609 CG ASP A 59 -23.424 -6.447 7.723 1.00 1.00 C ATOM 610 OD1 ASP A 59 -23.573 -5.697 6.733 1.00 1.00 O ATOM 611 OD2 ASP A 59 -23.693 -7.665 7.749 1.00 1.00 O ATOM 0 H ASP A 59 -20.601 -7.124 7.874 1.00 1.00 H new ATOM 0 HA ASP A 59 -21.206 -4.972 7.785 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -22.873 -6.561 9.802 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -23.401 -4.970 9.290 1.00 1.00 H new ATOM 616 N GLY A 60 -20.134 -3.263 9.044 1.00 1.00 N ATOM 617 CA GLY A 60 -19.535 -2.090 9.708 1.00 1.00 C ATOM 618 C GLY A 60 -18.046 -1.842 9.410 1.00 1.00 C ATOM 619 O GLY A 60 -17.472 -0.937 10.002 1.00 1.00 O ATOM 0 H GLY A 60 -19.914 -3.300 8.049 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -20.098 -1.203 9.415 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -19.657 -2.204 10.785 1.00 1.00 H new ATOM 623 N THR A 61 -17.415 -2.613 8.508 1.00 1.00 N ATOM 624 CA THR A 61 -15.967 -2.610 8.180 1.00 1.00 C ATOM 625 C THR A 61 -15.477 -1.212 7.779 1.00 1.00 C ATOM 626 O THR A 61 -15.866 -0.716 6.719 1.00 1.00 O ATOM 627 CB THR A 61 -15.653 -3.633 7.064 1.00 1.00 C ATOM 628 OG1 THR A 61 -15.959 -4.928 7.531 1.00 1.00 O ATOM 629 CG2 THR A 61 -14.189 -3.665 6.601 1.00 1.00 C ATOM 0 H THR A 61 -17.927 -3.298 7.952 1.00 1.00 H new ATOM 0 HA THR A 61 -15.431 -2.903 9.083 1.00 1.00 H new ATOM 0 HB THR A 61 -16.257 -3.319 6.213 1.00 1.00 H new ATOM 0 HG1 THR A 61 -16.075 -5.532 6.768 1.00 1.00 H new ATOM 0 HG21 THR A 61 -14.071 -4.414 5.817 1.00 1.00 H new ATOM 0 HG22 THR A 61 -13.909 -2.686 6.212 1.00 1.00 H new ATOM 0 HG23 THR A 61 -13.546 -3.918 7.444 1.00 1.00 H new ATOM 637 N LEU A 62 -14.630 -0.588 8.615 1.00 1.00 N ATOM 638 CA LEU A 62 -14.057 0.749 8.414 1.00 1.00 C ATOM 639 C LEU A 62 -12.935 0.725 7.352 1.00 1.00 C ATOM 640 O LEU A 62 -11.843 0.201 7.584 1.00 1.00 O ATOM 641 CB LEU A 62 -13.546 1.281 9.776 1.00 1.00 C ATOM 642 CG LEU A 62 -14.465 2.186 10.627 1.00 1.00 C ATOM 643 CD1 LEU A 62 -14.715 3.542 9.954 1.00 1.00 C ATOM 644 CD2 LEU A 62 -15.798 1.527 10.985 1.00 1.00 C ATOM 0 H LEU A 62 -14.315 -1.021 9.483 1.00 1.00 H new ATOM 0 HA LEU A 62 -14.826 1.422 8.034 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -13.280 0.418 10.386 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -12.626 1.834 9.587 1.00 1.00 H new ATOM 0 HG LEU A 62 -13.923 2.350 11.558 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -15.366 4.147 10.585 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -13.766 4.058 9.811 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -15.192 3.386 8.986 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -16.395 2.215 11.583 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -16.338 1.278 10.071 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -15.612 0.618 11.556 1.00 1.00 H new ATOM 656 N VAL A 63 -13.169 1.341 6.187 1.00 1.00 N ATOM 657 CA VAL A 63 -12.135 1.539 5.155 1.00 1.00 C ATOM 658 C VAL A 63 -11.530 2.922 5.423 1.00 1.00 C ATOM 659 O VAL A 63 -12.199 3.939 5.216 1.00 1.00 O ATOM 660 CB VAL A 63 -12.657 1.327 3.702 1.00 1.00 C ATOM 661 CG1 VAL A 63 -13.162 -0.119 3.496 1.00 1.00 C ATOM 662 CG2 VAL A 63 -13.770 2.274 3.217 1.00 1.00 C ATOM 0 H VAL A 63 -14.081 1.718 5.930 1.00 1.00 H new ATOM 0 HA VAL A 63 -11.360 0.776 5.225 1.00 1.00 H new ATOM 0 HB VAL A 63 -11.774 1.555 3.104 1.00 1.00 H new ATOM 0 HG11 VAL A 63 -13.520 -0.237 2.473 1.00 1.00 H new ATOM 0 HG12 VAL A 63 -12.346 -0.819 3.678 1.00 1.00 H new ATOM 0 HG13 VAL A 63 -13.976 -0.322 4.191 1.00 1.00 H new ATOM 0 HG21 VAL A 63 -14.042 2.021 2.192 1.00 1.00 H new ATOM 0 HG22 VAL A 63 -14.643 2.169 3.861 1.00 1.00 H new ATOM 0 HG23 VAL A 63 -13.413 3.303 3.254 1.00 1.00 H new ATOM 672 N THR A 64 -10.284 2.954 5.937 1.00 1.00 N ATOM 673 CA THR A 64 -9.553 4.214 6.227 1.00 1.00 C ATOM 674 C THR A 64 -8.327 4.360 5.308 1.00 1.00 C ATOM 675 O THR A 64 -7.359 3.600 5.343 1.00 1.00 O ATOM 676 CB THR A 64 -9.264 4.377 7.744 1.00 1.00 C ATOM 677 OG1 THR A 64 -10.209 5.287 8.297 1.00 1.00 O ATOM 678 CG2 THR A 64 -7.893 4.938 8.151 1.00 1.00 C ATOM 0 H THR A 64 -9.754 2.113 6.164 1.00 1.00 H new ATOM 0 HA THR A 64 -10.194 5.062 5.986 1.00 1.00 H new ATOM 0 HB THR A 64 -9.313 3.352 8.113 1.00 1.00 H new ATOM 0 HG1 THR A 64 -10.036 5.396 9.255 1.00 1.00 H new ATOM 0 HG21 THR A 64 -7.832 4.996 9.238 1.00 1.00 H new ATOM 0 HG22 THR A 64 -7.106 4.282 7.778 1.00 1.00 H new ATOM 0 HG23 THR A 64 -7.767 5.934 7.726 1.00 1.00 H new ATOM 686 N VAL A 65 -8.344 5.402 4.477 1.00 1.00 N ATOM 687 CA VAL A 65 -7.356 5.631 3.415 1.00 1.00 C ATOM 688 C VAL A 65 -6.335 6.678 3.851 1.00 1.00 C ATOM 689 O VAL A 65 -6.682 7.688 4.466 1.00 1.00 O ATOM 690 CB VAL A 65 -8.053 6.015 2.078 1.00 1.00 C ATOM 691 CG1 VAL A 65 -7.081 6.155 0.896 1.00 1.00 C ATOM 692 CG2 VAL A 65 -9.143 4.995 1.699 1.00 1.00 C ATOM 0 H VAL A 65 -9.059 6.128 4.522 1.00 1.00 H new ATOM 0 HA VAL A 65 -6.816 4.701 3.236 1.00 1.00 H new ATOM 0 HB VAL A 65 -8.498 6.992 2.264 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -7.637 6.424 -0.002 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -6.350 6.932 1.117 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -6.566 5.208 0.734 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -9.610 5.293 0.760 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -8.694 4.009 1.584 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -9.898 4.960 2.485 1.00 1.00 H new ATOM 702 N MET A 66 -5.071 6.449 3.486 1.00 1.00 N ATOM 703 CA MET A 66 -3.990 7.433 3.633 1.00 1.00 C ATOM 704 C MET A 66 -3.123 7.511 2.362 1.00 1.00 C ATOM 705 O MET A 66 -2.312 6.620 2.124 1.00 1.00 O ATOM 706 CB MET A 66 -3.161 7.131 4.897 1.00 1.00 C ATOM 707 CG MET A 66 -3.847 7.503 6.219 1.00 1.00 C ATOM 708 SD MET A 66 -4.618 6.199 7.211 1.00 1.00 S ATOM 709 CE MET A 66 -5.022 7.185 8.682 1.00 1.00 C ATOM 0 H MET A 66 -4.764 5.567 3.076 1.00 1.00 H new ATOM 0 HA MET A 66 -4.432 8.421 3.760 1.00 1.00 H new ATOM 0 HB2 MET A 66 -2.924 6.067 4.914 1.00 1.00 H new ATOM 0 HB3 MET A 66 -2.215 7.668 4.831 1.00 1.00 H new ATOM 0 HG2 MET A 66 -3.105 7.997 6.846 1.00 1.00 H new ATOM 0 HG3 MET A 66 -4.616 8.242 5.993 1.00 1.00 H new ATOM 0 HE1 MET A 66 -5.511 6.551 9.422 1.00 1.00 H new ATOM 0 HE2 MET A 66 -4.107 7.598 9.106 1.00 1.00 H new ATOM 0 HE3 MET A 66 -5.691 7.999 8.402 1.00 1.00 H new ATOM 719 N ALA A 67 -3.247 8.561 1.525 1.00 1.00 N ATOM 720 CA ALA A 67 -2.366 8.777 0.391 1.00 1.00 C ATOM 721 C ALA A 67 -1.319 9.829 0.805 1.00 1.00 C ATOM 722 O ALA A 67 -1.629 10.998 1.056 1.00 1.00 O ATOM 723 CB ALA A 67 -3.200 9.106 -0.846 1.00 1.00 C ATOM 0 H ALA A 67 -3.967 9.277 1.628 1.00 1.00 H new ATOM 0 HA ALA A 67 -1.804 7.887 0.106 1.00 1.00 H new ATOM 0 HB1 ALA A 67 -2.539 9.268 -1.698 1.00 1.00 H new ATOM 0 HB2 ALA A 67 -3.873 8.277 -1.062 1.00 1.00 H new ATOM 0 HB3 ALA A 67 -3.783 10.008 -0.662 1.00 1.00 H new ATOM 729 N GLY A 68 -0.093 9.336 0.969 1.00 1.00 N ATOM 730 CA GLY A 68 1.118 10.040 1.391 1.00 1.00 C ATOM 731 C GLY A 68 1.831 9.260 2.495 1.00 1.00 C ATOM 732 O GLY A 68 1.511 9.468 3.662 1.00 1.00 O ATOM 0 H GLY A 68 0.095 8.349 0.795 1.00 1.00 H new ATOM 0 HA2 GLY A 68 1.786 10.170 0.540 1.00 1.00 H new ATOM 0 HA3 GLY A 68 0.861 11.037 1.749 1.00 1.00 H new ATOM 736 N ASN A 69 2.765 8.377 2.110 1.00 1.00 N ATOM 737 CA ASN A 69 3.588 7.518 2.971 1.00 1.00 C ATOM 738 C ASN A 69 4.994 7.365 2.352 1.00 1.00 C ATOM 739 O ASN A 69 5.825 8.235 2.597 1.00 1.00 O ATOM 740 CB ASN A 69 2.837 6.192 3.221 1.00 1.00 C ATOM 741 CG ASN A 69 3.441 5.308 4.306 1.00 1.00 C ATOM 742 OD1 ASN A 69 4.626 5.033 4.363 1.00 1.00 O ATOM 743 ND2 ASN A 69 2.616 4.844 5.213 1.00 1.00 N ATOM 0 H ASN A 69 2.979 8.236 1.123 1.00 1.00 H new ATOM 0 HA ASN A 69 3.750 7.962 3.953 1.00 1.00 H new ATOM 0 HB2 ASN A 69 1.806 6.420 3.491 1.00 1.00 H new ATOM 0 HB3 ASN A 69 2.805 5.628 2.289 1.00 1.00 H new ATOM 0 HD21 ASN A 69 2.967 4.253 5.967 1.00 1.00 H new ATOM 0 HD22 ASN A 69 1.624 5.074 5.165 1.00 1.00 H new ATOM 750 N ASP A 70 5.216 6.377 1.457 1.00 1.00 N ATOM 751 CA ASP A 70 6.485 6.003 0.792 1.00 1.00 C ATOM 752 C ASP A 70 7.363 7.178 0.260 1.00 1.00 C ATOM 753 O ASP A 70 8.583 7.037 0.208 1.00 1.00 O ATOM 754 CB ASP A 70 6.169 5.041 -0.387 1.00 1.00 C ATOM 755 CG ASP A 70 5.240 3.826 -0.120 1.00 1.00 C ATOM 756 OD1 ASP A 70 4.021 4.047 0.045 1.00 1.00 O ATOM 757 OD2 ASP A 70 5.694 2.659 -0.159 1.00 1.00 O ATOM 0 H ASP A 70 4.452 5.772 1.157 1.00 1.00 H new ATOM 0 HA ASP A 70 7.084 5.538 1.575 1.00 1.00 H new ATOM 0 HB2 ASP A 70 5.722 5.632 -1.187 1.00 1.00 H new ATOM 0 HB3 ASP A 70 7.116 4.658 -0.766 1.00 1.00 H new ATOM 762 N GLU A 71 6.758 8.322 -0.115 1.00 1.00 N ATOM 763 CA GLU A 71 7.415 9.572 -0.561 1.00 1.00 C ATOM 764 C GLU A 71 7.573 10.670 0.514 1.00 1.00 C ATOM 765 O GLU A 71 8.445 11.522 0.336 1.00 1.00 O ATOM 766 CB GLU A 71 6.602 10.166 -1.731 1.00 1.00 C ATOM 767 CG GLU A 71 6.845 9.540 -3.110 1.00 1.00 C ATOM 768 CD GLU A 71 8.107 10.068 -3.791 1.00 1.00 C ATOM 769 OE1 GLU A 71 8.041 11.205 -4.311 1.00 1.00 O ATOM 770 OE2 GLU A 71 9.098 9.309 -3.812 1.00 1.00 O ATOM 0 H GLU A 71 5.741 8.406 -0.116 1.00 1.00 H new ATOM 0 HA GLU A 71 8.427 9.279 -0.840 1.00 1.00 H new ATOM 0 HB2 GLU A 71 5.542 10.073 -1.494 1.00 1.00 H new ATOM 0 HB3 GLU A 71 6.822 11.232 -1.795 1.00 1.00 H new ATOM 0 HG2 GLU A 71 6.922 8.458 -3.003 1.00 1.00 H new ATOM 0 HG3 GLU A 71 5.984 9.737 -3.749 1.00 1.00 H new ATOM 777 N ASN A 72 6.740 10.711 1.577 1.00 1.00 N ATOM 778 CA ASN A 72 6.784 11.782 2.588 1.00 1.00 C ATOM 779 C ASN A 72 6.063 11.426 3.909 1.00 1.00 C ATOM 780 O ASN A 72 6.706 11.063 4.889 1.00 1.00 O ATOM 781 CB ASN A 72 6.275 13.093 1.932 1.00 1.00 C ATOM 782 CG ASN A 72 6.517 14.363 2.741 1.00 1.00 C ATOM 783 OD1 ASN A 72 7.601 14.640 3.218 1.00 1.00 O ATOM 784 ND2 ASN A 72 5.520 15.202 2.929 1.00 1.00 N ATOM 0 H ASN A 72 6.024 10.006 1.755 1.00 1.00 H new ATOM 0 HA ASN A 72 7.817 11.923 2.907 1.00 1.00 H new ATOM 0 HB2 ASN A 72 6.756 13.204 0.960 1.00 1.00 H new ATOM 0 HB3 ASN A 72 5.205 12.997 1.749 1.00 1.00 H new ATOM 0 HD21 ASN A 72 5.668 16.058 3.463 1.00 1.00 H new ATOM 0 HD22 ASN A 72 4.600 14.996 2.541 1.00 1.00 H new ATOM 791 N TYR A 73 4.726 11.553 3.894 1.00 1.00 N ATOM 792 CA TYR A 73 3.707 11.492 4.947 1.00 1.00 C ATOM 793 C TYR A 73 2.721 12.651 4.703 1.00 1.00 C ATOM 794 O TYR A 73 3.065 13.822 4.872 1.00 1.00 O ATOM 795 CB TYR A 73 4.232 11.478 6.396 1.00 1.00 C ATOM 796 CG TYR A 73 3.174 11.727 7.465 1.00 1.00 C ATOM 797 CD1 TYR A 73 2.076 10.839 7.605 1.00 1.00 C ATOM 798 CD2 TYR A 73 3.259 12.880 8.276 1.00 1.00 C ATOM 799 CE1 TYR A 73 1.077 11.099 8.569 1.00 1.00 C ATOM 800 CE2 TYR A 73 2.269 13.134 9.258 1.00 1.00 C ATOM 801 CZ TYR A 73 1.176 12.247 9.404 1.00 1.00 C ATOM 802 OH TYR A 73 0.214 12.488 10.330 1.00 1.00 O ATOM 0 H TYR A 73 4.270 11.728 2.999 1.00 1.00 H new ATOM 0 HA TYR A 73 3.217 10.521 4.868 1.00 1.00 H new ATOM 0 HB2 TYR A 73 4.701 10.513 6.588 1.00 1.00 H new ATOM 0 HB3 TYR A 73 5.010 12.235 6.492 1.00 1.00 H new ATOM 0 HD1 TYR A 73 2.004 9.965 6.975 1.00 1.00 H new ATOM 0 HD2 TYR A 73 4.080 13.570 8.148 1.00 1.00 H new ATOM 0 HE1 TYR A 73 0.238 10.427 8.672 1.00 1.00 H new ATOM 0 HE2 TYR A 73 2.349 14.003 9.894 1.00 1.00 H new ATOM 0 HH TYR A 73 0.429 13.310 10.819 1.00 1.00 H new ATOM 812 N SER A 74 1.510 12.299 4.256 1.00 1.00 N ATOM 813 CA SER A 74 0.365 13.210 4.088 1.00 1.00 C ATOM 814 C SER A 74 -0.858 12.713 4.863 1.00 1.00 C ATOM 815 O SER A 74 -1.137 13.270 5.922 1.00 1.00 O ATOM 816 CB SER A 74 0.074 13.506 2.603 1.00 1.00 C ATOM 817 OG SER A 74 0.665 14.730 2.220 1.00 1.00 O ATOM 0 H SER A 74 1.290 11.339 3.991 1.00 1.00 H new ATOM 0 HA SER A 74 0.634 14.171 4.526 1.00 1.00 H new ATOM 0 HB2 SER A 74 0.461 12.698 1.982 1.00 1.00 H new ATOM 0 HB3 SER A 74 -1.003 13.547 2.438 1.00 1.00 H new ATOM 0 HG SER A 74 0.360 15.442 2.820 1.00 1.00 H new ATOM 823 N ALA A 75 -1.608 11.704 4.370 1.00 1.00 N ATOM 824 CA ALA A 75 -2.892 11.254 4.964 1.00 1.00 C ATOM 825 C ALA A 75 -4.024 12.328 5.068 1.00 1.00 C ATOM 826 O ALA A 75 -5.137 11.991 5.472 1.00 1.00 O ATOM 827 CB ALA A 75 -2.614 10.563 6.317 1.00 1.00 C ATOM 0 H ALA A 75 -1.340 11.172 3.542 1.00 1.00 H new ATOM 0 HA ALA A 75 -3.313 10.543 4.253 1.00 1.00 H new ATOM 0 HB1 ALA A 75 -3.555 10.231 6.756 1.00 1.00 H new ATOM 0 HB2 ALA A 75 -1.964 9.703 6.159 1.00 1.00 H new ATOM 0 HB3 ALA A 75 -2.127 11.267 6.992 1.00 1.00 H new ATOM 833 N GLU A 76 -3.777 13.590 4.667 1.00 1.00 N ATOM 834 CA GLU A 76 -4.685 14.756 4.595 1.00 1.00 C ATOM 835 C GLU A 76 -5.853 14.544 3.587 1.00 1.00 C ATOM 836 O GLU A 76 -5.980 15.267 2.593 1.00 1.00 O ATOM 837 CB GLU A 76 -3.869 16.025 4.222 1.00 1.00 C ATOM 838 CG GLU A 76 -2.535 16.362 4.919 1.00 1.00 C ATOM 839 CD GLU A 76 -1.566 17.036 3.940 1.00 1.00 C ATOM 840 OE1 GLU A 76 -0.807 16.287 3.246 1.00 1.00 O ATOM 841 OE2 GLU A 76 -1.599 18.274 3.861 1.00 1.00 O ATOM 0 H GLU A 76 -2.841 13.846 4.353 1.00 1.00 H new ATOM 0 HA GLU A 76 -5.140 14.882 5.577 1.00 1.00 H new ATOM 0 HB2 GLU A 76 -3.661 15.965 3.154 1.00 1.00 H new ATOM 0 HB3 GLU A 76 -4.528 16.880 4.371 1.00 1.00 H new ATOM 0 HG2 GLU A 76 -2.719 17.021 5.768 1.00 1.00 H new ATOM 0 HG3 GLU A 76 -2.085 15.451 5.314 1.00 1.00 H new ATOM 848 N LEU A 77 -6.705 13.533 3.823 1.00 1.00 N ATOM 849 CA LEU A 77 -7.739 13.076 2.912 1.00 1.00 C ATOM 850 C LEU A 77 -9.141 13.643 3.176 1.00 1.00 C ATOM 851 O LEU A 77 -9.400 14.247 4.222 1.00 1.00 O ATOM 852 CB LEU A 77 -7.658 11.552 2.864 1.00 1.00 C ATOM 853 CG LEU A 77 -6.346 10.908 2.335 1.00 1.00 C ATOM 854 CD1 LEU A 77 -6.649 9.539 1.712 1.00 1.00 C ATOM 855 CD2 LEU A 77 -5.627 11.752 1.279 1.00 1.00 C ATOM 0 H LEU A 77 -6.682 12.998 4.691 1.00 1.00 H new ATOM 0 HA LEU A 77 -7.548 13.482 1.919 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -7.832 11.176 3.872 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -8.480 11.193 2.244 1.00 1.00 H new ATOM 0 HG LEU A 77 -5.690 10.824 3.201 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -5.725 9.094 1.344 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -7.091 8.886 2.465 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -7.347 9.662 0.884 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -4.721 11.238 0.958 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -6.284 11.899 0.422 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -5.364 12.720 1.705 1.00 1.00 H new ATOM 867 N ARG A 78 -10.062 13.453 2.207 1.00 1.00 N ATOM 868 CA ARG A 78 -11.368 14.143 2.221 1.00 1.00 C ATOM 869 C ARG A 78 -12.524 13.189 1.949 1.00 1.00 C ATOM 870 O ARG A 78 -12.963 13.044 0.807 1.00 1.00 O ATOM 871 CB ARG A 78 -11.260 15.339 1.256 1.00 1.00 C ATOM 872 CG ARG A 78 -12.387 16.362 1.386 1.00 1.00 C ATOM 873 CD ARG A 78 -11.858 17.797 1.283 1.00 1.00 C ATOM 874 NE ARG A 78 -11.737 18.431 2.611 1.00 1.00 N ATOM 875 CZ ARG A 78 -10.670 18.977 3.173 1.00 1.00 C ATOM 876 NH1 ARG A 78 -9.511 19.087 2.578 1.00 1.00 N ATOM 877 NH2 ARG A 78 -10.741 19.435 4.392 1.00 1.00 N ATOM 0 H ARG A 78 -9.926 12.831 1.410 1.00 1.00 H new ATOM 0 HA ARG A 78 -11.606 14.529 3.212 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -10.308 15.842 1.426 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -11.243 14.964 0.233 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -13.128 16.189 0.606 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -12.893 16.228 2.342 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -10.885 17.792 0.792 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -12.527 18.388 0.657 1.00 1.00 H new ATOM 0 HE ARG A 78 -12.590 18.451 3.170 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -9.392 18.741 1.626 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -8.726 19.519 3.066 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -11.617 19.372 4.910 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -9.920 19.856 4.827 1.00 1.00 H new ATOM 891 N ASN A 79 -12.964 12.523 3.026 1.00 1.00 N ATOM 892 CA ASN A 79 -13.943 11.452 3.101 1.00 1.00 C ATOM 893 C ASN A 79 -13.256 10.073 3.089 1.00 1.00 C ATOM 894 O ASN A 79 -13.971 9.086 3.193 1.00 1.00 O ATOM 895 CB ASN A 79 -15.074 11.644 2.065 1.00 1.00 C ATOM 896 CG ASN A 79 -16.469 11.603 2.659 1.00 1.00 C ATOM 897 OD1 ASN A 79 -17.010 12.604 3.095 1.00 1.00 O ATOM 898 ND2 ASN A 79 -17.086 10.448 2.718 1.00 1.00 N ATOM 0 H ASN A 79 -12.602 12.750 3.952 1.00 1.00 H new ATOM 0 HA ASN A 79 -14.454 11.496 4.063 1.00 1.00 H new ATOM 0 HB2 ASN A 79 -14.933 12.600 1.561 1.00 1.00 H new ATOM 0 HB3 ASN A 79 -14.991 10.868 1.304 1.00 1.00 H new ATOM 0 HD21 ASN A 79 -18.018 10.388 3.128 1.00 1.00 H new ATOM 0 HD22 ASN A 79 -16.634 9.609 2.353 1.00 1.00 H new ATOM 905 N ALA A 80 -11.899 9.968 3.067 1.00 1.00 N ATOM 906 CA ALA A 80 -11.077 8.731 3.140 1.00 1.00 C ATOM 907 C ALA A 80 -11.430 7.695 4.213 1.00 1.00 C ATOM 908 O ALA A 80 -10.853 6.609 4.235 1.00 1.00 O ATOM 909 CB ALA A 80 -9.630 9.162 3.336 1.00 1.00 C ATOM 0 H ALA A 80 -11.314 10.800 2.993 1.00 1.00 H new ATOM 0 HA ALA A 80 -11.277 8.205 2.206 1.00 1.00 H new ATOM 0 HB1 ALA A 80 -8.992 8.280 3.395 1.00 1.00 H new ATOM 0 HB2 ALA A 80 -9.317 9.780 2.495 1.00 1.00 H new ATOM 0 HB3 ALA A 80 -9.543 9.735 4.259 1.00 1.00 H new ATOM 915 N THR A 81 -12.371 8.054 5.074 1.00 1.00 N ATOM 916 CA THR A 81 -12.965 7.184 6.110 1.00 1.00 C ATOM 917 C THR A 81 -14.467 6.938 5.852 1.00 1.00 C ATOM 918 O THR A 81 -15.275 7.857 5.970 1.00 1.00 O ATOM 919 CB THR A 81 -12.696 7.723 7.535 1.00 1.00 C ATOM 920 OG1 THR A 81 -11.308 7.767 7.801 1.00 1.00 O ATOM 921 CG2 THR A 81 -13.302 6.845 8.637 1.00 1.00 C ATOM 0 H THR A 81 -12.766 8.995 5.080 1.00 1.00 H new ATOM 0 HA THR A 81 -12.470 6.215 6.044 1.00 1.00 H new ATOM 0 HB THR A 81 -13.155 8.712 7.551 1.00 1.00 H new ATOM 0 HG1 THR A 81 -10.997 6.876 8.063 1.00 1.00 H new ATOM 0 HG21 THR A 81 -13.078 7.278 9.612 1.00 1.00 H new ATOM 0 HG22 THR A 81 -14.383 6.789 8.505 1.00 1.00 H new ATOM 0 HG23 THR A 81 -12.877 5.843 8.579 1.00 1.00 H new ATOM 929 N ALA A 82 -14.829 5.681 5.545 1.00 1.00 N ATOM 930 CA ALA A 82 -16.168 5.140 5.319 1.00 1.00 C ATOM 931 C ALA A 82 -16.280 3.723 5.947 1.00 1.00 C ATOM 932 O ALA A 82 -15.281 3.081 6.273 1.00 1.00 O ATOM 933 CB ALA A 82 -16.457 5.147 3.807 1.00 1.00 C ATOM 0 H ALA A 82 -14.120 4.955 5.440 1.00 1.00 H new ATOM 0 HA ALA A 82 -16.923 5.758 5.806 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -17.454 4.745 3.625 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -16.403 6.169 3.431 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -15.719 4.532 3.293 1.00 1.00 H new ATOM 939 N ALA A 83 -17.508 3.245 6.135 1.00 1.00 N ATOM 940 CA ALA A 83 -17.874 1.910 6.654 1.00 1.00 C ATOM 941 C ALA A 83 -18.668 1.064 5.618 1.00 1.00 C ATOM 942 O ALA A 83 -19.508 1.610 4.896 1.00 1.00 O ATOM 943 CB ALA A 83 -18.634 2.085 7.979 1.00 1.00 C ATOM 0 H ALA A 83 -18.332 3.807 5.919 1.00 1.00 H new ATOM 0 HA ALA A 83 -16.963 1.341 6.841 1.00 1.00 H new ATOM 0 HB1 ALA A 83 -18.910 1.107 8.372 1.00 1.00 H new ATOM 0 HB2 ALA A 83 -17.997 2.599 8.699 1.00 1.00 H new ATOM 0 HB3 ALA A 83 -19.535 2.674 7.807 1.00 1.00 H new ATOM 949 N MET A 84 -18.448 -0.266 5.577 1.00 1.00 N ATOM 950 CA MET A 84 -18.994 -1.204 4.570 1.00 1.00 C ATOM 951 C MET A 84 -19.801 -2.342 5.244 1.00 1.00 C ATOM 952 O MET A 84 -19.584 -2.637 6.419 1.00 1.00 O ATOM 953 CB MET A 84 -17.871 -1.702 3.639 1.00 1.00 C ATOM 954 CG MET A 84 -17.181 -0.554 2.874 1.00 1.00 C ATOM 955 SD MET A 84 -18.271 0.546 1.918 1.00 1.00 S ATOM 956 CE MET A 84 -17.273 2.056 1.857 1.00 1.00 C ATOM 0 H MET A 84 -17.864 -0.735 6.269 1.00 1.00 H new ATOM 0 HA MET A 84 -19.709 -0.678 3.936 1.00 1.00 H new ATOM 0 HB2 MET A 84 -17.128 -2.239 4.228 1.00 1.00 H new ATOM 0 HB3 MET A 84 -18.286 -2.413 2.924 1.00 1.00 H new ATOM 0 HG2 MET A 84 -16.628 0.052 3.592 1.00 1.00 H new ATOM 0 HG3 MET A 84 -16.450 -0.988 2.192 1.00 1.00 H new ATOM 0 HE1 MET A 84 -17.810 2.825 1.302 1.00 1.00 H new ATOM 0 HE2 MET A 84 -17.082 2.407 2.871 1.00 1.00 H new ATOM 0 HE3 MET A 84 -16.325 1.846 1.362 1.00 1.00 H new ATOM 966 N LYS A 85 -20.695 -3.000 4.487 1.00 1.00 N ATOM 967 CA LYS A 85 -21.701 -3.941 5.051 1.00 1.00 C ATOM 968 C LYS A 85 -21.561 -5.373 4.556 1.00 1.00 C ATOM 969 O LYS A 85 -20.790 -6.165 5.113 1.00 1.00 O ATOM 970 CB LYS A 85 -23.107 -3.298 4.903 1.00 1.00 C ATOM 971 CG LYS A 85 -23.485 -2.347 6.052 1.00 1.00 C ATOM 972 CD LYS A 85 -22.653 -1.056 6.065 1.00 1.00 C ATOM 973 CE LYS A 85 -23.020 -0.094 7.196 1.00 1.00 C ATOM 974 NZ LYS A 85 -24.406 0.407 7.084 1.00 1.00 N ATOM 0 H LYS A 85 -20.748 -2.902 3.473 1.00 1.00 H new ATOM 0 HA LYS A 85 -21.518 -4.081 6.116 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -23.147 -2.748 3.962 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -23.853 -4.090 4.841 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -24.541 -2.090 5.971 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -23.355 -2.865 7.002 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -21.598 -1.316 6.150 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -22.779 -0.544 5.111 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -22.896 -0.600 8.154 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -22.330 0.750 7.189 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -24.579 1.118 7.823 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -24.544 0.839 6.148 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -25.071 -0.383 7.202 1.00 1.00 H new ATOM 987 N ASN A 86 -22.190 -5.694 3.414 1.00 1.00 N ATOM 988 CA ASN A 86 -22.153 -6.947 2.664 1.00 1.00 C ATOM 989 C ASN A 86 -20.818 -7.082 1.888 1.00 1.00 C ATOM 990 O ASN A 86 -20.796 -7.405 0.699 1.00 1.00 O ATOM 991 CB ASN A 86 -23.412 -7.001 1.764 1.00 1.00 C ATOM 992 CG ASN A 86 -24.725 -6.620 2.441 1.00 1.00 C ATOM 993 OD1 ASN A 86 -25.176 -5.489 2.352 1.00 1.00 O ATOM 994 ND2 ASN A 86 -25.371 -7.509 3.163 1.00 1.00 N ATOM 0 H ASN A 86 -22.794 -5.013 2.954 1.00 1.00 H new ATOM 0 HA ASN A 86 -22.180 -7.809 3.330 1.00 1.00 H new ATOM 0 HB2 ASN A 86 -23.257 -6.337 0.913 1.00 1.00 H new ATOM 0 HB3 ASN A 86 -23.509 -8.011 1.366 1.00 1.00 H new ATOM 0 HD21 ASN A 86 -26.235 -7.249 3.638 1.00 1.00 H new ATOM 0 HD22 ASN A 86 -25.008 -8.458 3.248 1.00 1.00 H new ATOM 1001 N GLN A 87 -19.707 -6.744 2.574 1.00 1.00 N ATOM 1002 CA GLN A 87 -18.302 -6.731 2.113 1.00 1.00 C ATOM 1003 C GLN A 87 -18.088 -6.003 0.758 1.00 1.00 C ATOM 1004 O GLN A 87 -17.230 -6.379 -0.051 1.00 1.00 O ATOM 1005 CB GLN A 87 -17.726 -8.161 2.174 1.00 1.00 C ATOM 1006 CG GLN A 87 -18.360 -9.158 1.189 1.00 1.00 C ATOM 1007 CD GLN A 87 -19.222 -10.222 1.866 1.00 1.00 C ATOM 1008 OE1 GLN A 87 -20.395 -10.045 2.150 1.00 1.00 O ATOM 1009 NE2 GLN A 87 -18.662 -11.360 2.201 1.00 1.00 N ATOM 0 H GLN A 87 -19.775 -6.448 3.548 1.00 1.00 H new ATOM 0 HA GLN A 87 -17.723 -6.115 2.801 1.00 1.00 H new ATOM 0 HB2 GLN A 87 -16.654 -8.114 1.981 1.00 1.00 H new ATOM 0 HB3 GLN A 87 -17.851 -8.544 3.187 1.00 1.00 H new ATOM 0 HG2 GLN A 87 -18.971 -8.609 0.472 1.00 1.00 H new ATOM 0 HG3 GLN A 87 -17.569 -9.649 0.623 1.00 1.00 H new ATOM 0 HE21 GLN A 87 -17.682 -11.532 1.975 1.00 1.00 H new ATOM 0 HE22 GLN A 87 -19.206 -12.072 2.688 1.00 1.00 H new ATOM 1018 N VAL A 88 -18.911 -4.962 0.517 1.00 1.00 N ATOM 1019 CA VAL A 88 -19.024 -4.204 -0.741 1.00 1.00 C ATOM 1020 C VAL A 88 -19.020 -2.677 -0.539 1.00 1.00 C ATOM 1021 O VAL A 88 -19.608 -2.172 0.421 1.00 1.00 O ATOM 1022 CB VAL A 88 -20.254 -4.710 -1.545 1.00 1.00 C ATOM 1023 CG1 VAL A 88 -21.613 -4.444 -0.863 1.00 1.00 C ATOM 1024 CG2 VAL A 88 -20.293 -4.151 -2.977 1.00 1.00 C ATOM 0 H VAL A 88 -19.547 -4.611 1.233 1.00 1.00 H new ATOM 0 HA VAL A 88 -18.127 -4.394 -1.330 1.00 1.00 H new ATOM 0 HB VAL A 88 -20.111 -5.790 -1.580 1.00 1.00 H new ATOM 0 HG11 VAL A 88 -22.417 -4.829 -1.491 1.00 1.00 H new ATOM 0 HG12 VAL A 88 -21.638 -4.944 0.105 1.00 1.00 H new ATOM 0 HG13 VAL A 88 -21.745 -3.371 -0.721 1.00 1.00 H new ATOM 0 HG21 VAL A 88 -21.172 -4.536 -3.494 1.00 1.00 H new ATOM 0 HG22 VAL A 88 -20.341 -3.063 -2.942 1.00 1.00 H new ATOM 0 HG23 VAL A 88 -19.394 -4.458 -3.512 1.00 1.00 H new ATOM 1034 N ALA A 89 -18.412 -1.955 -1.491 1.00 1.00 N ATOM 1035 CA ALA A 89 -18.362 -0.485 -1.633 1.00 1.00 C ATOM 1036 C ALA A 89 -18.714 -0.022 -3.070 1.00 1.00 C ATOM 1037 O ALA A 89 -18.404 -0.710 -4.051 1.00 1.00 O ATOM 1038 CB ALA A 89 -16.996 0.068 -1.206 1.00 1.00 C ATOM 0 H ALA A 89 -17.901 -2.416 -2.243 1.00 1.00 H new ATOM 0 HA ALA A 89 -19.122 -0.079 -0.966 1.00 1.00 H new ATOM 0 HB1 ALA A 89 -16.990 1.152 -1.322 1.00 1.00 H new ATOM 0 HB2 ALA A 89 -16.810 -0.187 -0.163 1.00 1.00 H new ATOM 0 HB3 ALA A 89 -16.216 -0.368 -1.830 1.00 1.00 H new ATOM 1044 N ARG A 90 -19.354 1.157 -3.169 1.00 1.00 N ATOM 1045 CA ARG A 90 -19.973 1.796 -4.353 1.00 1.00 C ATOM 1046 C ARG A 90 -19.673 3.310 -4.477 1.00 1.00 C ATOM 1047 O ARG A 90 -19.310 3.964 -3.502 1.00 1.00 O ATOM 1048 CB ARG A 90 -21.500 1.543 -4.298 1.00 1.00 C ATOM 1049 CG ARG A 90 -22.134 1.976 -2.965 1.00 1.00 C ATOM 1050 CD ARG A 90 -23.664 1.959 -2.955 1.00 1.00 C ATOM 1051 NE ARG A 90 -24.249 2.616 -1.760 1.00 1.00 N ATOM 1052 CZ ARG A 90 -24.250 2.193 -0.507 1.00 1.00 C ATOM 1053 NH1 ARG A 90 -23.868 0.998 -0.160 1.00 1.00 N ATOM 1054 NH2 ARG A 90 -24.621 2.984 0.463 1.00 1.00 N ATOM 0 H ARG A 90 -19.463 1.746 -2.344 1.00 1.00 H new ATOM 0 HA ARG A 90 -19.532 1.345 -5.242 1.00 1.00 H new ATOM 0 HB2 ARG A 90 -21.981 2.081 -5.115 1.00 1.00 H new ATOM 0 HB3 ARG A 90 -21.693 0.482 -4.458 1.00 1.00 H new ATOM 0 HG2 ARG A 90 -21.771 1.320 -2.174 1.00 1.00 H new ATOM 0 HG3 ARG A 90 -21.793 2.983 -2.725 1.00 1.00 H new ATOM 0 HD2 ARG A 90 -24.032 2.457 -3.852 1.00 1.00 H new ATOM 0 HD3 ARG A 90 -24.010 0.926 -2.999 1.00 1.00 H new ATOM 0 HE ARG A 90 -24.710 3.510 -1.927 1.00 1.00 H new ATOM 0 HH11 ARG A 90 -23.549 0.339 -0.870 1.00 1.00 H new ATOM 0 HH12 ARG A 90 -23.888 0.721 0.821 1.00 1.00 H new ATOM 0 HH21 ARG A 90 -24.914 3.939 0.258 1.00 1.00 H new ATOM 0 HH22 ARG A 90 -24.618 2.647 1.426 1.00 1.00 H new ATOM 1068 N PHE A 91 -19.897 3.867 -5.676 1.00 1.00 N ATOM 1069 CA PHE A 91 -19.749 5.288 -6.071 1.00 1.00 C ATOM 1070 C PHE A 91 -18.302 5.824 -5.917 1.00 1.00 C ATOM 1071 O PHE A 91 -17.545 5.804 -6.884 1.00 1.00 O ATOM 1072 CB PHE A 91 -20.788 6.188 -5.357 1.00 1.00 C ATOM 1073 CG PHE A 91 -22.272 6.021 -5.661 1.00 1.00 C ATOM 1074 CD1 PHE A 91 -22.997 4.962 -5.072 1.00 1.00 C ATOM 1075 CD2 PHE A 91 -22.962 6.988 -6.433 1.00 1.00 C ATOM 1076 CE1 PHE A 91 -24.389 4.850 -5.265 1.00 1.00 C ATOM 1077 CE2 PHE A 91 -24.359 6.887 -6.617 1.00 1.00 C ATOM 1078 CZ PHE A 91 -25.071 5.815 -6.036 1.00 1.00 C ATOM 0 H PHE A 91 -20.211 3.297 -6.461 1.00 1.00 H new ATOM 0 HA PHE A 91 -19.959 5.329 -7.140 1.00 1.00 H new ATOM 0 HB2 PHE A 91 -20.658 6.046 -4.284 1.00 1.00 H new ATOM 0 HB3 PHE A 91 -20.526 7.223 -5.576 1.00 1.00 H new ATOM 0 HD1 PHE A 91 -22.480 4.231 -4.468 1.00 1.00 H new ATOM 0 HD2 PHE A 91 -22.418 7.805 -6.883 1.00 1.00 H new ATOM 0 HE1 PHE A 91 -24.932 4.027 -4.824 1.00 1.00 H new ATOM 0 HE2 PHE A 91 -24.882 7.629 -7.202 1.00 1.00 H new ATOM 0 HZ PHE A 91 -26.138 5.734 -6.182 1.00 1.00 H new ATOM 1088 N ASN A 92 -17.929 6.313 -4.723 1.00 1.00 N ATOM 1089 CA ASN A 92 -16.588 6.778 -4.331 1.00 1.00 C ATOM 1090 C ASN A 92 -16.390 6.575 -2.820 1.00 1.00 C ATOM 1091 O ASN A 92 -15.556 5.782 -2.417 1.00 1.00 O ATOM 1092 CB ASN A 92 -16.344 8.241 -4.763 1.00 1.00 C ATOM 1093 CG ASN A 92 -15.707 8.386 -6.143 1.00 1.00 C ATOM 1094 OD1 ASN A 92 -16.358 8.687 -7.125 1.00 1.00 O ATOM 1095 ND2 ASN A 92 -14.404 8.249 -6.272 1.00 1.00 N ATOM 0 H ASN A 92 -18.598 6.400 -3.958 1.00 1.00 H new ATOM 0 HA ASN A 92 -15.841 6.181 -4.854 1.00 1.00 H new ATOM 0 HB2 ASN A 92 -17.295 8.774 -4.756 1.00 1.00 H new ATOM 0 HB3 ASN A 92 -15.702 8.724 -4.026 1.00 1.00 H new ATOM 0 HD21 ASN A 92 -13.963 8.395 -7.180 1.00 1.00 H new ATOM 0 HD22 ASN A 92 -13.835 7.997 -5.464 1.00 1.00 H new ATOM 1102 N ASP A 93 -17.140 7.308 -1.986 1.00 1.00 N ATOM 1103 CA ASP A 93 -17.236 7.270 -0.518 1.00 1.00 C ATOM 1104 C ASP A 93 -15.993 7.766 0.255 1.00 1.00 C ATOM 1105 O ASP A 93 -16.146 8.224 1.388 1.00 1.00 O ATOM 1106 CB ASP A 93 -17.730 5.870 -0.090 1.00 1.00 C ATOM 1107 CG ASP A 93 -19.230 5.604 -0.340 1.00 1.00 C ATOM 1108 OD1 ASP A 93 -19.855 6.375 -1.116 1.00 1.00 O ATOM 1109 OD2 ASP A 93 -19.739 4.628 0.257 1.00 1.00 O ATOM 0 H ASP A 93 -17.763 8.021 -2.364 1.00 1.00 H new ATOM 0 HA ASP A 93 -17.972 8.018 -0.223 1.00 1.00 H new ATOM 0 HB2 ASP A 93 -17.149 5.117 -0.623 1.00 1.00 H new ATOM 0 HB3 ASP A 93 -17.525 5.738 0.972 1.00 1.00 H new ATOM 1114 N LEU A 94 -14.815 7.774 -0.385 1.00 1.00 N ATOM 1115 CA LEU A 94 -13.510 8.227 0.152 1.00 1.00 C ATOM 1116 C LEU A 94 -12.676 9.126 -0.784 1.00 1.00 C ATOM 1117 O LEU A 94 -12.952 9.117 -2.000 1.00 1.00 O ATOM 1118 CB LEU A 94 -12.738 7.009 0.708 1.00 1.00 C ATOM 1119 CG LEU A 94 -12.000 5.990 -0.193 1.00 1.00 C ATOM 1120 CD1 LEU A 94 -12.895 5.301 -1.216 1.00 1.00 C ATOM 1121 CD2 LEU A 94 -10.793 6.586 -0.935 1.00 1.00 C ATOM 0 H LEU A 94 -14.736 7.447 -1.348 1.00 1.00 H new ATOM 0 HA LEU A 94 -13.725 8.914 0.971 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -11.994 7.405 1.399 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -13.451 6.436 1.301 1.00 1.00 H new ATOM 0 HG LEU A 94 -11.651 5.246 0.523 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -12.302 4.603 -1.807 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -13.686 4.758 -0.700 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -13.338 6.049 -1.874 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -10.325 5.815 -1.547 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -11.126 7.404 -1.574 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -10.071 6.963 -0.211 1.00 1.00 H new ATOM 1133 N ARG A 95 -11.637 9.874 -0.283 1.00 1.00 N ATOM 1134 CA ARG A 95 -10.796 10.617 -1.270 1.00 1.00 C ATOM 1135 C ARG A 95 -9.295 10.654 -0.988 1.00 1.00 C ATOM 1136 O ARG A 95 -8.861 11.342 -0.068 1.00 1.00 O ATOM 1137 CB ARG A 95 -11.378 12.037 -1.460 1.00 1.00 C ATOM 1138 CG ARG A 95 -11.415 12.482 -2.925 1.00 1.00 C ATOM 1139 CD ARG A 95 -11.377 14.000 -3.148 1.00 1.00 C ATOM 1140 NE ARG A 95 -12.645 14.676 -2.840 1.00 1.00 N ATOM 1141 CZ ARG A 95 -12.821 15.926 -2.443 1.00 1.00 C ATOM 1142 NH1 ARG A 95 -11.873 16.787 -2.195 1.00 1.00 N ATOM 1143 NH2 ARG A 95 -14.024 16.391 -2.288 1.00 1.00 N ATOM 0 H ARG A 95 -11.382 9.972 0.700 1.00 1.00 H new ATOM 0 HA ARG A 95 -10.852 10.046 -2.197 1.00 1.00 H new ATOM 0 HB2 ARG A 95 -12.388 12.066 -1.052 1.00 1.00 H new ATOM 0 HB3 ARG A 95 -10.782 12.747 -0.886 1.00 1.00 H new ATOM 0 HG2 ARG A 95 -10.569 12.033 -3.446 1.00 1.00 H new ATOM 0 HG3 ARG A 95 -12.320 12.086 -3.386 1.00 1.00 H new ATOM 0 HD2 ARG A 95 -10.588 14.429 -2.531 1.00 1.00 H new ATOM 0 HD3 ARG A 95 -11.113 14.199 -4.187 1.00 1.00 H new ATOM 0 HE ARG A 95 -13.490 14.115 -2.945 1.00 1.00 H new ATOM 0 HH11 ARG A 95 -10.896 16.515 -2.304 1.00 1.00 H new ATOM 0 HH12 ARG A 95 -12.109 17.732 -1.892 1.00 1.00 H new ATOM 0 HH21 ARG A 95 -14.830 15.793 -2.472 1.00 1.00 H new ATOM 0 HH22 ARG A 95 -14.163 17.354 -1.982 1.00 1.00 H new ATOM 1157 N PHE A 96 -8.510 10.045 -1.889 1.00 1.00 N ATOM 1158 CA PHE A 96 -7.043 9.991 -1.876 1.00 1.00 C ATOM 1159 C PHE A 96 -6.433 11.224 -2.575 1.00 1.00 C ATOM 1160 O PHE A 96 -6.836 11.589 -3.685 1.00 1.00 O ATOM 1161 CB PHE A 96 -6.552 8.614 -2.359 1.00 1.00 C ATOM 1162 CG PHE A 96 -6.108 8.443 -3.794 1.00 1.00 C ATOM 1163 CD1 PHE A 96 -7.019 8.075 -4.803 1.00 1.00 C ATOM 1164 CD2 PHE A 96 -4.751 8.642 -4.121 1.00 1.00 C ATOM 1165 CE1 PHE A 96 -6.591 7.998 -6.144 1.00 1.00 C ATOM 1166 CE2 PHE A 96 -4.324 8.593 -5.460 1.00 1.00 C ATOM 1167 CZ PHE A 96 -5.251 8.290 -6.476 1.00 1.00 C ATOM 0 H PHE A 96 -8.904 9.550 -2.689 1.00 1.00 H new ATOM 0 HA PHE A 96 -6.668 10.068 -0.855 1.00 1.00 H new ATOM 0 HB2 PHE A 96 -5.717 8.323 -1.722 1.00 1.00 H new ATOM 0 HB3 PHE A 96 -7.355 7.899 -2.178 1.00 1.00 H new ATOM 0 HD1 PHE A 96 -8.045 7.852 -4.550 1.00 1.00 H new ATOM 0 HD2 PHE A 96 -4.034 8.834 -3.337 1.00 1.00 H new ATOM 0 HE1 PHE A 96 -7.289 7.715 -6.918 1.00 1.00 H new ATOM 0 HE2 PHE A 96 -3.291 8.787 -5.708 1.00 1.00 H new ATOM 0 HZ PHE A 96 -4.936 8.281 -7.509 1.00 1.00 H new ATOM 1177 N VAL A 97 -5.528 11.906 -1.846 1.00 1.00 N ATOM 1178 CA VAL A 97 -4.863 13.203 -2.145 1.00 1.00 C ATOM 1179 C VAL A 97 -5.817 14.228 -2.815 1.00 1.00 C ATOM 1180 O VAL A 97 -5.462 14.977 -3.727 1.00 1.00 O ATOM 1181 CB VAL A 97 -3.476 12.983 -2.819 1.00 1.00 C ATOM 1182 CG1 VAL A 97 -2.396 12.624 -1.773 1.00 1.00 C ATOM 1183 CG2 VAL A 97 -3.456 11.862 -3.871 1.00 1.00 C ATOM 0 H VAL A 97 -5.211 11.535 -0.950 1.00 1.00 H new ATOM 0 HA VAL A 97 -4.621 13.702 -1.207 1.00 1.00 H new ATOM 0 HB VAL A 97 -3.269 13.933 -3.311 1.00 1.00 H new ATOM 0 HG11 VAL A 97 -1.439 12.476 -2.274 1.00 1.00 H new ATOM 0 HG12 VAL A 97 -2.306 13.435 -1.050 1.00 1.00 H new ATOM 0 HG13 VAL A 97 -2.680 11.707 -1.256 1.00 1.00 H new ATOM 0 HG21 VAL A 97 -2.454 11.775 -4.291 1.00 1.00 H new ATOM 0 HG22 VAL A 97 -3.736 10.919 -3.403 1.00 1.00 H new ATOM 0 HG23 VAL A 97 -4.164 12.097 -4.666 1.00 1.00 H new ATOM 1193 N GLY A 98 -7.057 14.253 -2.296 1.00 1.00 N ATOM 1194 CA GLY A 98 -8.295 14.931 -2.713 1.00 1.00 C ATOM 1195 C GLY A 98 -8.296 16.454 -2.874 1.00 1.00 C ATOM 1196 O GLY A 98 -9.161 17.092 -2.273 1.00 1.00 O ATOM 0 H GLY A 98 -7.237 13.717 -1.447 1.00 1.00 H new ATOM 0 HA2 GLY A 98 -8.599 14.500 -3.667 1.00 1.00 H new ATOM 0 HA3 GLY A 98 -9.068 14.677 -1.988 1.00 1.00 H new ATOM 1200 N ARG A 99 -7.371 16.986 -3.696 1.00 1.00 N ATOM 1201 CA ARG A 99 -7.011 18.395 -4.041 1.00 1.00 C ATOM 1202 C ARG A 99 -5.561 18.777 -3.650 1.00 1.00 C ATOM 1203 O ARG A 99 -5.113 19.882 -3.976 1.00 1.00 O ATOM 1204 CB ARG A 99 -8.017 19.414 -3.457 1.00 1.00 C ATOM 1205 CG ARG A 99 -8.015 20.785 -4.147 1.00 1.00 C ATOM 1206 CD ARG A 99 -7.786 21.969 -3.193 1.00 1.00 C ATOM 1207 NE ARG A 99 -6.372 22.088 -2.801 1.00 1.00 N ATOM 1208 CZ ARG A 99 -5.810 23.000 -2.028 1.00 1.00 C ATOM 1209 NH1 ARG A 99 -6.482 23.958 -1.451 1.00 1.00 N ATOM 1210 NH2 ARG A 99 -4.528 22.977 -1.814 1.00 1.00 N ATOM 0 H ARG A 99 -6.765 16.350 -4.214 1.00 1.00 H new ATOM 0 HA ARG A 99 -7.067 18.442 -5.129 1.00 1.00 H new ATOM 0 HB2 ARG A 99 -9.020 18.992 -3.521 1.00 1.00 H new ATOM 0 HB3 ARG A 99 -7.798 19.555 -2.399 1.00 1.00 H new ATOM 0 HG2 ARG A 99 -7.238 20.793 -4.912 1.00 1.00 H new ATOM 0 HG3 ARG A 99 -8.968 20.924 -4.658 1.00 1.00 H new ATOM 0 HD2 ARG A 99 -8.109 22.892 -3.675 1.00 1.00 H new ATOM 0 HD3 ARG A 99 -8.401 21.842 -2.302 1.00 1.00 H new ATOM 0 HE ARG A 99 -5.746 21.375 -3.174 1.00 1.00 H new ATOM 0 HH11 ARG A 99 -7.490 24.028 -1.588 1.00 1.00 H new ATOM 0 HH12 ARG A 99 -5.999 24.637 -0.863 1.00 1.00 H new ATOM 0 HH21 ARG A 99 -3.952 22.253 -2.244 1.00 1.00 H new ATOM 0 HH22 ARG A 99 -4.098 23.683 -1.217 1.00 1.00 H new ATOM 1224 N SER A 100 -4.828 17.888 -2.959 1.00 1.00 N ATOM 1225 CA SER A 100 -3.480 18.080 -2.392 1.00 1.00 C ATOM 1226 C SER A 100 -2.622 16.811 -2.549 1.00 1.00 C ATOM 1227 O SER A 100 -2.663 15.908 -1.714 1.00 1.00 O ATOM 1228 CB SER A 100 -3.590 18.505 -0.920 1.00 1.00 C ATOM 1229 OG SER A 100 -2.415 19.163 -0.489 1.00 1.00 O ATOM 0 H SER A 100 -5.185 16.952 -2.768 1.00 1.00 H new ATOM 0 HA SER A 100 -2.978 18.874 -2.945 1.00 1.00 H new ATOM 0 HB2 SER A 100 -4.448 19.166 -0.793 1.00 1.00 H new ATOM 0 HB3 SER A 100 -3.768 17.628 -0.298 1.00 1.00 H new ATOM 0 HG SER A 100 -2.512 19.424 0.451 1.00 1.00 H new ATOM 1235 N GLY A 101 -1.868 16.758 -3.653 1.00 1.00 N ATOM 1236 CA GLY A 101 -0.956 15.687 -4.058 1.00 1.00 C ATOM 1237 C GLY A 101 -0.069 16.102 -5.241 1.00 1.00 C ATOM 1238 O GLY A 101 -0.532 16.754 -6.174 1.00 1.00 O ATOM 0 H GLY A 101 -1.882 17.517 -4.334 1.00 1.00 H new ATOM 0 HA2 GLY A 101 -0.326 15.409 -3.213 1.00 1.00 H new ATOM 0 HA3 GLY A 101 -1.533 14.803 -4.330 1.00 1.00 H new ATOM 1242 N ARG A 102 1.213 15.718 -5.154 1.00 1.00 N ATOM 1243 CA ARG A 102 2.331 16.005 -6.074 1.00 1.00 C ATOM 1244 C ARG A 102 3.571 15.263 -5.537 1.00 1.00 C ATOM 1245 O ARG A 102 4.244 15.758 -4.628 1.00 1.00 O ATOM 1246 CB ARG A 102 2.539 17.533 -6.202 1.00 1.00 C ATOM 1247 CG ARG A 102 3.513 17.936 -7.314 1.00 1.00 C ATOM 1248 CD ARG A 102 3.801 19.442 -7.333 1.00 1.00 C ATOM 1249 NE ARG A 102 4.931 19.773 -8.219 1.00 1.00 N ATOM 1250 CZ ARG A 102 4.831 19.945 -9.528 1.00 1.00 C ATOM 1251 NH1 ARG A 102 3.685 20.080 -10.120 1.00 1.00 N ATOM 1252 NH2 ARG A 102 5.863 19.962 -10.320 1.00 1.00 N ATOM 0 H ARG A 102 1.525 15.147 -4.368 1.00 1.00 H new ATOM 0 HA ARG A 102 2.125 15.651 -7.084 1.00 1.00 H new ATOM 0 HB2 ARG A 102 1.575 18.007 -6.388 1.00 1.00 H new ATOM 0 HB3 ARG A 102 2.907 17.921 -5.252 1.00 1.00 H new ATOM 0 HG2 ARG A 102 4.449 17.393 -7.185 1.00 1.00 H new ATOM 0 HG3 ARG A 102 3.101 17.637 -8.278 1.00 1.00 H new ATOM 0 HD2 ARG A 102 2.911 19.978 -7.663 1.00 1.00 H new ATOM 0 HD3 ARG A 102 4.021 19.783 -6.321 1.00 1.00 H new ATOM 0 HE ARG A 102 5.853 19.877 -7.795 1.00 1.00 H new ATOM 0 HH11 ARG A 102 2.823 20.055 -9.575 1.00 1.00 H new ATOM 0 HH12 ARG A 102 3.645 20.211 -11.131 1.00 1.00 H new ATOM 0 HH21 ARG A 102 6.801 19.839 -9.938 1.00 1.00 H new ATOM 0 HH22 ARG A 102 5.734 20.098 -11.323 1.00 1.00 H new ATOM 1266 N GLY A 103 3.762 14.006 -5.978 1.00 1.00 N ATOM 1267 CA GLY A 103 4.796 13.088 -5.474 1.00 1.00 C ATOM 1268 C GLY A 103 4.427 12.475 -4.114 1.00 1.00 C ATOM 1269 O GLY A 103 4.836 12.990 -3.072 1.00 1.00 O ATOM 0 H GLY A 103 3.187 13.592 -6.712 1.00 1.00 H new ATOM 0 HA2 GLY A 103 4.952 12.289 -6.199 1.00 1.00 H new ATOM 0 HA3 GLY A 103 5.740 13.625 -5.383 1.00 1.00 H new ATOM 1273 N LYS A 104 3.596 11.418 -4.122 1.00 1.00 N ATOM 1274 CA LYS A 104 3.133 10.631 -2.953 1.00 1.00 C ATOM 1275 C LYS A 104 2.747 9.177 -3.336 1.00 1.00 C ATOM 1276 O LYS A 104 2.471 8.879 -4.497 1.00 1.00 O ATOM 1277 CB LYS A 104 1.949 11.379 -2.286 1.00 1.00 C ATOM 1278 CG LYS A 104 2.326 12.370 -1.170 1.00 1.00 C ATOM 1279 CD LYS A 104 1.982 13.819 -1.549 1.00 1.00 C ATOM 1280 CE LYS A 104 2.875 14.841 -0.836 1.00 1.00 C ATOM 1281 NZ LYS A 104 4.073 15.172 -1.642 1.00 1.00 N ATOM 0 H LYS A 104 3.203 11.065 -4.994 1.00 1.00 H new ATOM 0 HA LYS A 104 3.955 10.542 -2.243 1.00 1.00 H new ATOM 0 HB2 LYS A 104 1.405 11.921 -3.059 1.00 1.00 H new ATOM 0 HB3 LYS A 104 1.263 10.639 -1.873 1.00 1.00 H new ATOM 0 HG2 LYS A 104 1.802 12.101 -0.253 1.00 1.00 H new ATOM 0 HG3 LYS A 104 3.393 12.293 -0.962 1.00 1.00 H new ATOM 0 HD2 LYS A 104 2.083 13.943 -2.627 1.00 1.00 H new ATOM 0 HD3 LYS A 104 0.939 14.018 -1.302 1.00 1.00 H new ATOM 0 HE2 LYS A 104 2.305 15.749 -0.640 1.00 1.00 H new ATOM 0 HE3 LYS A 104 3.184 14.444 0.131 1.00 1.00 H new ATOM 0 HZ1 LYS A 104 4.697 15.800 -1.095 1.00 1.00 H new ATOM 0 HZ2 LYS A 104 4.584 14.298 -1.880 1.00 1.00 H new ATOM 0 HZ3 LYS A 104 3.781 15.651 -2.518 1.00 1.00 H new ATOM 1294 N SER A 105 2.676 8.286 -2.335 1.00 1.00 N ATOM 1295 CA SER A 105 2.181 6.896 -2.418 1.00 1.00 C ATOM 1296 C SER A 105 0.785 6.714 -1.805 1.00 1.00 C ATOM 1297 O SER A 105 0.365 7.461 -0.926 1.00 1.00 O ATOM 1298 CB SER A 105 3.156 5.991 -1.717 1.00 1.00 C ATOM 1299 OG SER A 105 2.869 4.612 -1.877 1.00 1.00 O ATOM 0 H SER A 105 2.979 8.526 -1.391 1.00 1.00 H new ATOM 0 HA SER A 105 2.096 6.643 -3.475 1.00 1.00 H new ATOM 0 HB2 SER A 105 4.159 6.191 -2.094 1.00 1.00 H new ATOM 0 HB3 SER A 105 3.161 6.231 -0.654 1.00 1.00 H new ATOM 0 HG SER A 105 3.102 4.132 -1.055 1.00 1.00 H new ATOM 1305 N PHE A 106 0.074 5.691 -2.280 1.00 1.00 N ATOM 1306 CA PHE A 106 -1.279 5.296 -1.896 1.00 1.00 C ATOM 1307 C PHE A 106 -1.253 4.205 -0.813 1.00 1.00 C ATOM 1308 O PHE A 106 -1.005 3.043 -1.135 1.00 1.00 O ATOM 1309 CB PHE A 106 -2.005 4.816 -3.166 1.00 1.00 C ATOM 1310 CG PHE A 106 -3.490 4.514 -3.050 1.00 1.00 C ATOM 1311 CD1 PHE A 106 -4.342 5.390 -2.346 1.00 1.00 C ATOM 1312 CD2 PHE A 106 -4.041 3.371 -3.676 1.00 1.00 C ATOM 1313 CE1 PHE A 106 -5.724 5.124 -2.264 1.00 1.00 C ATOM 1314 CE2 PHE A 106 -5.424 3.103 -3.597 1.00 1.00 C ATOM 1315 CZ PHE A 106 -6.269 3.988 -2.892 1.00 1.00 C ATOM 0 H PHE A 106 0.458 5.073 -2.995 1.00 1.00 H new ATOM 0 HA PHE A 106 -1.811 6.143 -1.463 1.00 1.00 H new ATOM 0 HB2 PHE A 106 -1.875 5.576 -3.936 1.00 1.00 H new ATOM 0 HB3 PHE A 106 -1.504 3.915 -3.520 1.00 1.00 H new ATOM 0 HD1 PHE A 106 -3.934 6.268 -1.868 1.00 1.00 H new ATOM 0 HD2 PHE A 106 -3.396 2.697 -4.220 1.00 1.00 H new ATOM 0 HE1 PHE A 106 -6.368 5.796 -1.716 1.00 1.00 H new ATOM 0 HE2 PHE A 106 -5.835 2.225 -4.074 1.00 1.00 H new ATOM 0 HZ PHE A 106 -7.330 3.794 -2.835 1.00 1.00 H new ATOM 1325 N THR A 107 -1.516 4.563 0.458 1.00 1.00 N ATOM 1326 CA THR A 107 -1.654 3.588 1.573 1.00 1.00 C ATOM 1327 C THR A 107 -3.119 3.437 2.051 1.00 1.00 C ATOM 1328 O THR A 107 -3.556 4.034 3.040 1.00 1.00 O ATOM 1329 CB THR A 107 -0.677 3.864 2.744 1.00 1.00 C ATOM 1330 OG1 THR A 107 0.654 3.992 2.291 1.00 1.00 O ATOM 1331 CG2 THR A 107 -0.653 2.702 3.748 1.00 1.00 C ATOM 0 H THR A 107 -1.640 5.533 0.748 1.00 1.00 H new ATOM 0 HA THR A 107 -1.362 2.623 1.160 1.00 1.00 H new ATOM 0 HB THR A 107 -1.035 4.785 3.205 1.00 1.00 H new ATOM 0 HG1 THR A 107 1.261 4.007 3.060 1.00 1.00 H new ATOM 0 HG21 THR A 107 0.043 2.932 4.554 1.00 1.00 H new ATOM 0 HG22 THR A 107 -1.651 2.557 4.161 1.00 1.00 H new ATOM 0 HG23 THR A 107 -0.334 1.791 3.242 1.00 1.00 H new ATOM 1339 N LEU A 108 -3.896 2.600 1.348 1.00 1.00 N ATOM 1340 CA LEU A 108 -5.258 2.191 1.712 1.00 1.00 C ATOM 1341 C LEU A 108 -5.246 1.197 2.906 1.00 1.00 C ATOM 1342 O LEU A 108 -4.788 0.059 2.748 1.00 1.00 O ATOM 1343 CB LEU A 108 -5.935 1.600 0.455 1.00 1.00 C ATOM 1344 CG LEU A 108 -7.444 1.846 0.272 1.00 1.00 C ATOM 1345 CD1 LEU A 108 -7.921 1.197 -1.036 1.00 1.00 C ATOM 1346 CD2 LEU A 108 -8.263 1.276 1.436 1.00 1.00 C ATOM 0 H LEU A 108 -3.580 2.174 0.477 1.00 1.00 H new ATOM 0 HA LEU A 108 -5.834 3.052 2.051 1.00 1.00 H new ATOM 0 HB2 LEU A 108 -5.422 1.998 -0.421 1.00 1.00 H new ATOM 0 HB3 LEU A 108 -5.769 0.523 0.460 1.00 1.00 H new ATOM 0 HG LEU A 108 -7.597 2.925 0.242 1.00 1.00 H new ATOM 0 HD11 LEU A 108 -8.989 1.374 -1.161 1.00 1.00 H new ATOM 0 HD12 LEU A 108 -7.380 1.632 -1.876 1.00 1.00 H new ATOM 0 HD13 LEU A 108 -7.732 0.124 -1.000 1.00 1.00 H new ATOM 0 HD21 LEU A 108 -9.322 1.472 1.266 1.00 1.00 H new ATOM 0 HD22 LEU A 108 -8.099 0.201 1.504 1.00 1.00 H new ATOM 0 HD23 LEU A 108 -7.951 1.750 2.367 1.00 1.00 H new ATOM 1358 N THR A 109 -5.738 1.619 4.091 1.00 1.00 N ATOM 1359 CA THR A 109 -5.826 0.753 5.309 1.00 1.00 C ATOM 1360 C THR A 109 -7.279 0.354 5.677 1.00 1.00 C ATOM 1361 O THR A 109 -8.041 1.136 6.251 1.00 1.00 O ATOM 1362 CB THR A 109 -5.099 1.347 6.545 1.00 1.00 C ATOM 1363 OG1 THR A 109 -3.829 1.878 6.220 1.00 1.00 O ATOM 1364 CG2 THR A 109 -4.857 0.256 7.599 1.00 1.00 C ATOM 0 H THR A 109 -6.087 2.566 4.240 1.00 1.00 H new ATOM 0 HA THR A 109 -5.297 -0.157 5.025 1.00 1.00 H new ATOM 0 HB THR A 109 -5.747 2.139 6.920 1.00 1.00 H new ATOM 0 HG1 THR A 109 -3.410 2.242 7.028 1.00 1.00 H new ATOM 0 HG21 THR A 109 -4.346 0.688 8.460 1.00 1.00 H new ATOM 0 HG22 THR A 109 -5.812 -0.162 7.916 1.00 1.00 H new ATOM 0 HG23 THR A 109 -4.240 -0.534 7.170 1.00 1.00 H new ATOM 1372 N ILE A 110 -7.679 -0.899 5.404 1.00 1.00 N ATOM 1373 CA ILE A 110 -9.037 -1.403 5.699 1.00 1.00 C ATOM 1374 C ILE A 110 -9.010 -2.073 7.077 1.00 1.00 C ATOM 1375 O ILE A 110 -8.381 -3.112 7.244 1.00 1.00 O ATOM 1376 CB ILE A 110 -9.538 -2.346 4.573 1.00 1.00 C ATOM 1377 CG1 ILE A 110 -9.836 -1.555 3.277 1.00 1.00 C ATOM 1378 CG2 ILE A 110 -10.836 -3.088 4.962 1.00 1.00 C ATOM 1379 CD1 ILE A 110 -9.485 -2.286 1.976 1.00 1.00 C ATOM 0 H ILE A 110 -7.071 -1.595 4.972 1.00 1.00 H new ATOM 0 HA ILE A 110 -9.753 -0.582 5.729 1.00 1.00 H new ATOM 0 HB ILE A 110 -8.736 -3.067 4.415 1.00 1.00 H new ATOM 0 HG12 ILE A 110 -10.896 -1.302 3.259 1.00 1.00 H new ATOM 0 HG13 ILE A 110 -9.285 -0.615 3.308 1.00 1.00 H new ATOM 0 HG21 ILE A 110 -11.145 -3.735 4.141 1.00 1.00 H new ATOM 0 HG22 ILE A 110 -10.657 -3.691 5.852 1.00 1.00 H new ATOM 0 HG23 ILE A 110 -11.622 -2.362 5.168 1.00 1.00 H new ATOM 0 HD11 ILE A 110 -9.730 -1.651 1.124 1.00 1.00 H new ATOM 0 HD12 ILE A 110 -8.419 -2.515 1.963 1.00 1.00 H new ATOM 0 HD13 ILE A 110 -10.056 -3.212 1.914 1.00 1.00 H new ATOM 1391 N THR A 111 -9.713 -1.475 8.044 1.00 1.00 N ATOM 1392 CA THR A 111 -9.827 -1.917 9.459 1.00 1.00 C ATOM 1393 C THR A 111 -11.245 -2.415 9.794 1.00 1.00 C ATOM 1394 O THR A 111 -12.187 -1.623 9.717 1.00 1.00 O ATOM 1395 CB THR A 111 -9.461 -0.776 10.443 1.00 1.00 C ATOM 1396 OG1 THR A 111 -10.322 0.328 10.266 1.00 1.00 O ATOM 1397 CG2 THR A 111 -8.016 -0.282 10.317 1.00 1.00 C ATOM 0 H THR A 111 -10.249 -0.626 7.864 1.00 1.00 H new ATOM 0 HA THR A 111 -9.122 -2.740 9.574 1.00 1.00 H new ATOM 0 HB THR A 111 -9.575 -1.211 11.436 1.00 1.00 H new ATOM 0 HG1 THR A 111 -11.199 0.013 9.963 1.00 1.00 H new ATOM 0 HG21 THR A 111 -7.840 0.515 11.039 1.00 1.00 H new ATOM 0 HG22 THR A 111 -7.331 -1.107 10.513 1.00 1.00 H new ATOM 0 HG23 THR A 111 -7.848 0.097 9.309 1.00 1.00 H new ATOM 1405 N VAL A 112 -11.431 -3.673 10.240 1.00 1.00 N ATOM 1406 CA VAL A 112 -12.782 -4.214 10.524 1.00 1.00 C ATOM 1407 C VAL A 112 -13.410 -3.594 11.795 1.00 1.00 C ATOM 1408 O VAL A 112 -12.796 -2.835 12.544 1.00 1.00 O ATOM 1409 CB VAL A 112 -12.800 -5.772 10.541 1.00 1.00 C ATOM 1410 CG1 VAL A 112 -12.728 -6.398 11.946 1.00 1.00 C ATOM 1411 CG2 VAL A 112 -14.012 -6.363 9.799 1.00 1.00 C ATOM 0 H VAL A 112 -10.671 -4.332 10.411 1.00 1.00 H new ATOM 0 HA VAL A 112 -13.421 -3.911 9.695 1.00 1.00 H new ATOM 0 HB VAL A 112 -11.883 -6.035 10.014 1.00 1.00 H new ATOM 0 HG11 VAL A 112 -12.746 -7.485 11.862 1.00 1.00 H new ATOM 0 HG12 VAL A 112 -11.805 -6.087 12.436 1.00 1.00 H new ATOM 0 HG13 VAL A 112 -13.582 -6.066 12.537 1.00 1.00 H new ATOM 0 HG21 VAL A 112 -13.971 -7.451 9.844 1.00 1.00 H new ATOM 0 HG22 VAL A 112 -14.932 -6.015 10.269 1.00 1.00 H new ATOM 0 HG23 VAL A 112 -13.993 -6.042 8.757 1.00 1.00 H new ATOM 1421 N PHE A 113 -14.680 -3.938 12.002 1.00 1.00 N ATOM 1422 CA PHE A 113 -15.560 -3.508 13.095 1.00 1.00 C ATOM 1423 C PHE A 113 -16.304 -4.679 13.791 1.00 1.00 C ATOM 1424 O PHE A 113 -17.481 -4.577 14.141 1.00 1.00 O ATOM 1425 CB PHE A 113 -16.469 -2.400 12.543 1.00 1.00 C ATOM 1426 CG PHE A 113 -17.110 -1.500 13.581 1.00 1.00 C ATOM 1427 CD1 PHE A 113 -16.331 -0.537 14.261 1.00 1.00 C ATOM 1428 CD2 PHE A 113 -18.484 -1.638 13.893 1.00 1.00 C ATOM 1429 CE1 PHE A 113 -16.925 0.281 15.253 1.00 1.00 C ATOM 1430 CE2 PHE A 113 -19.076 -0.819 14.877 1.00 1.00 C ATOM 1431 CZ PHE A 113 -18.294 0.141 15.559 1.00 1.00 C ATOM 0 H PHE A 113 -15.160 -4.572 11.363 1.00 1.00 H new ATOM 0 HA PHE A 113 -14.970 -3.100 13.916 1.00 1.00 H new ATOM 0 HB2 PHE A 113 -15.884 -1.781 11.863 1.00 1.00 H new ATOM 0 HB3 PHE A 113 -17.259 -2.864 11.953 1.00 1.00 H new ATOM 0 HD1 PHE A 113 -15.283 -0.425 14.024 1.00 1.00 H new ATOM 0 HD2 PHE A 113 -19.082 -2.374 13.375 1.00 1.00 H new ATOM 0 HE1 PHE A 113 -16.328 1.013 15.776 1.00 1.00 H new ATOM 0 HE2 PHE A 113 -20.125 -0.925 15.109 1.00 1.00 H new ATOM 0 HZ PHE A 113 -18.745 0.767 16.314 1.00 1.00 H new ATOM 1441 N THR A 114 -15.604 -5.810 13.998 1.00 1.00 N ATOM 1442 CA THR A 114 -16.042 -6.996 14.770 1.00 1.00 C ATOM 1443 C THR A 114 -14.972 -7.413 15.797 1.00 1.00 C ATOM 1444 O THR A 114 -13.833 -6.951 15.740 1.00 1.00 O ATOM 1445 CB THR A 114 -16.489 -8.157 13.847 1.00 1.00 C ATOM 1446 OG1 THR A 114 -16.915 -9.260 14.616 1.00 1.00 O ATOM 1447 CG2 THR A 114 -15.425 -8.715 12.897 1.00 1.00 C ATOM 0 H THR A 114 -14.668 -5.931 13.612 1.00 1.00 H new ATOM 0 HA THR A 114 -16.929 -6.718 15.339 1.00 1.00 H new ATOM 0 HB THR A 114 -17.275 -7.699 13.246 1.00 1.00 H new ATOM 0 HG1 THR A 114 -17.196 -9.985 14.020 1.00 1.00 H new ATOM 0 HG21 THR A 114 -15.855 -9.522 12.303 1.00 1.00 H new ATOM 0 HG22 THR A 114 -15.077 -7.922 12.235 1.00 1.00 H new ATOM 0 HG23 THR A 114 -14.585 -9.099 13.476 1.00 1.00 H new ATOM 1455 N ASN A 115 -15.357 -8.272 16.759 1.00 1.00 N ATOM 1456 CA ASN A 115 -14.531 -8.746 17.879 1.00 1.00 C ATOM 1457 C ASN A 115 -13.127 -9.238 17.423 1.00 1.00 C ATOM 1458 O ASN A 115 -12.140 -8.795 18.013 1.00 1.00 O ATOM 1459 CB ASN A 115 -15.366 -9.745 18.702 1.00 1.00 C ATOM 1460 CG ASN A 115 -14.864 -10.013 20.120 1.00 1.00 C ATOM 1461 OD1 ASN A 115 -13.940 -9.411 20.638 1.00 1.00 O ATOM 1462 ND2 ASN A 115 -15.480 -10.930 20.828 1.00 1.00 N ATOM 0 H ASN A 115 -16.296 -8.671 16.775 1.00 1.00 H new ATOM 0 HA ASN A 115 -14.273 -7.923 18.546 1.00 1.00 H new ATOM 0 HB2 ASN A 115 -16.389 -9.373 18.762 1.00 1.00 H new ATOM 0 HB3 ASN A 115 -15.402 -10.692 18.163 1.00 1.00 H new ATOM 0 HD21 ASN A 115 -15.182 -11.122 21.784 1.00 1.00 H new ATOM 0 HD22 ASN A 115 -16.257 -11.451 20.422 1.00 1.00 H new ATOM 1469 N PRO A 116 -12.998 -10.098 16.380 1.00 1.00 N ATOM 1470 CA PRO A 116 -11.714 -10.444 15.759 1.00 1.00 C ATOM 1471 C PRO A 116 -11.221 -9.283 14.839 1.00 1.00 C ATOM 1472 O PRO A 116 -11.850 -9.035 13.805 1.00 1.00 O ATOM 1473 CB PRO A 116 -11.964 -11.731 14.965 1.00 1.00 C ATOM 1474 CG PRO A 116 -13.447 -11.635 14.605 1.00 1.00 C ATOM 1475 CD PRO A 116 -14.070 -10.884 15.780 1.00 1.00 C ATOM 0 HA PRO A 116 -10.930 -10.596 16.501 1.00 1.00 H new ATOM 0 HB2 PRO A 116 -11.336 -11.784 14.076 1.00 1.00 H new ATOM 0 HB3 PRO A 116 -11.750 -12.619 15.560 1.00 1.00 H new ATOM 0 HG2 PRO A 116 -13.595 -11.100 13.667 1.00 1.00 H new ATOM 0 HG3 PRO A 116 -13.892 -12.623 14.483 1.00 1.00 H new ATOM 0 HD2 PRO A 116 -14.882 -10.240 15.443 1.00 1.00 H new ATOM 0 HD3 PRO A 116 -14.494 -11.579 16.504 1.00 1.00 H new ATOM 1483 N PRO A 117 -10.126 -8.556 15.178 1.00 1.00 N ATOM 1484 CA PRO A 117 -9.627 -7.390 14.422 1.00 1.00 C ATOM 1485 C PRO A 117 -9.109 -7.767 13.021 1.00 1.00 C ATOM 1486 O PRO A 117 -8.021 -8.345 12.907 1.00 1.00 O ATOM 1487 CB PRO A 117 -8.508 -6.770 15.275 1.00 1.00 C ATOM 1488 CG PRO A 117 -8.018 -7.941 16.127 1.00 1.00 C ATOM 1489 CD PRO A 117 -9.254 -8.817 16.317 1.00 1.00 C ATOM 0 HA PRO A 117 -10.439 -6.684 14.246 1.00 1.00 H new ATOM 0 HB2 PRO A 117 -7.709 -6.363 14.655 1.00 1.00 H new ATOM 0 HB3 PRO A 117 -8.880 -5.952 15.892 1.00 1.00 H new ATOM 0 HG2 PRO A 117 -7.217 -8.487 15.629 1.00 1.00 H new ATOM 0 HG3 PRO A 117 -7.623 -7.598 17.083 1.00 1.00 H new ATOM 0 HD2 PRO A 117 -8.979 -9.871 16.362 1.00 1.00 H new ATOM 0 HD3 PRO A 117 -9.758 -8.579 17.254 1.00 1.00 H new ATOM 1497 N GLN A 118 -9.851 -7.431 11.944 1.00 1.00 N ATOM 1498 CA GLN A 118 -9.440 -7.756 10.566 1.00 1.00 C ATOM 1499 C GLN A 118 -8.934 -6.490 9.852 1.00 1.00 C ATOM 1500 O GLN A 118 -9.704 -5.700 9.311 1.00 1.00 O ATOM 1501 CB GLN A 118 -10.508 -8.600 9.836 1.00 1.00 C ATOM 1502 CG GLN A 118 -10.262 -8.918 8.351 1.00 1.00 C ATOM 1503 CD GLN A 118 -8.840 -9.377 8.028 1.00 1.00 C ATOM 1504 OE1 GLN A 118 -8.146 -8.823 7.194 1.00 1.00 O ATOM 1505 NE2 GLN A 118 -8.318 -10.384 8.693 1.00 1.00 N ATOM 0 H GLN A 118 -10.739 -6.934 12.005 1.00 1.00 H new ATOM 0 HA GLN A 118 -8.578 -8.423 10.568 1.00 1.00 H new ATOM 0 HB2 GLN A 118 -10.615 -9.544 10.370 1.00 1.00 H new ATOM 0 HB3 GLN A 118 -11.462 -8.079 9.916 1.00 1.00 H new ATOM 0 HG2 GLN A 118 -10.961 -9.694 8.038 1.00 1.00 H new ATOM 0 HG3 GLN A 118 -10.487 -8.030 7.760 1.00 1.00 H new ATOM 0 HE21 GLN A 118 -8.871 -10.871 9.399 1.00 1.00 H new ATOM 0 HE22 GLN A 118 -7.360 -10.679 8.503 1.00 1.00 H new ATOM 1514 N VAL A 119 -7.612 -6.278 9.924 1.00 1.00 N ATOM 1515 CA VAL A 119 -6.889 -5.157 9.295 1.00 1.00 C ATOM 1516 C VAL A 119 -6.095 -5.621 8.061 1.00 1.00 C ATOM 1517 O VAL A 119 -5.205 -6.464 8.160 1.00 1.00 O ATOM 1518 CB VAL A 119 -6.042 -4.331 10.297 1.00 1.00 C ATOM 1519 CG1 VAL A 119 -4.927 -5.119 11.009 1.00 1.00 C ATOM 1520 CG2 VAL A 119 -5.446 -3.097 9.593 1.00 1.00 C ATOM 0 H VAL A 119 -6.992 -6.903 10.440 1.00 1.00 H new ATOM 0 HA VAL A 119 -7.645 -4.458 8.937 1.00 1.00 H new ATOM 0 HB VAL A 119 -6.735 -4.032 11.083 1.00 1.00 H new ATOM 0 HG11 VAL A 119 -4.391 -4.457 11.689 1.00 1.00 H new ATOM 0 HG12 VAL A 119 -5.366 -5.941 11.574 1.00 1.00 H new ATOM 0 HG13 VAL A 119 -4.234 -5.518 10.269 1.00 1.00 H new ATOM 0 HG21 VAL A 119 -4.853 -2.523 10.305 1.00 1.00 H new ATOM 0 HG22 VAL A 119 -4.811 -3.420 8.768 1.00 1.00 H new ATOM 0 HG23 VAL A 119 -6.252 -2.474 9.207 1.00 1.00 H new ATOM 1530 N ALA A 120 -6.417 -5.035 6.902 1.00 1.00 N ATOM 1531 CA ALA A 120 -5.802 -5.277 5.598 1.00 1.00 C ATOM 1532 C ALA A 120 -5.147 -3.988 5.047 1.00 1.00 C ATOM 1533 O ALA A 120 -5.639 -2.873 5.255 1.00 1.00 O ATOM 1534 CB ALA A 120 -6.872 -5.867 4.666 1.00 1.00 C ATOM 0 H ALA A 120 -7.159 -4.337 6.850 1.00 1.00 H new ATOM 0 HA ALA A 120 -4.989 -5.998 5.681 1.00 1.00 H new ATOM 0 HB1 ALA A 120 -6.436 -6.056 3.685 1.00 1.00 H new ATOM 0 HB2 ALA A 120 -7.243 -6.802 5.085 1.00 1.00 H new ATOM 0 HB3 ALA A 120 -7.697 -5.161 4.566 1.00 1.00 H new ATOM 1540 N THR A 121 -4.034 -4.154 4.320 1.00 1.00 N ATOM 1541 CA THR A 121 -3.166 -3.069 3.803 1.00 1.00 C ATOM 1542 C THR A 121 -3.055 -3.165 2.276 1.00 1.00 C ATOM 1543 O THR A 121 -2.955 -4.263 1.724 1.00 1.00 O ATOM 1544 CB THR A 121 -1.755 -3.131 4.449 1.00 1.00 C ATOM 1545 OG1 THR A 121 -1.856 -2.957 5.848 1.00 1.00 O ATOM 1546 CG2 THR A 121 -0.781 -2.052 3.962 1.00 1.00 C ATOM 0 H THR A 121 -3.694 -5.080 4.062 1.00 1.00 H new ATOM 0 HA THR A 121 -3.619 -2.113 4.067 1.00 1.00 H new ATOM 0 HB THR A 121 -1.367 -4.108 4.160 1.00 1.00 H new ATOM 0 HG1 THR A 121 -0.962 -2.999 6.248 1.00 1.00 H new ATOM 0 HG21 THR A 121 0.178 -2.173 4.466 1.00 1.00 H new ATOM 0 HG22 THR A 121 -0.639 -2.149 2.886 1.00 1.00 H new ATOM 0 HG23 THR A 121 -1.188 -1.066 4.187 1.00 1.00 H new ATOM 1554 N TYR A 122 -3.054 -2.018 1.583 1.00 1.00 N ATOM 1555 CA TYR A 122 -2.796 -1.929 0.142 1.00 1.00 C ATOM 1556 C TYR A 122 -1.302 -1.681 -0.197 1.00 1.00 C ATOM 1557 O TYR A 122 -0.599 -0.915 0.468 1.00 1.00 O ATOM 1558 CB TYR A 122 -3.682 -0.834 -0.465 1.00 1.00 C ATOM 1559 CG TYR A 122 -3.493 -0.665 -1.959 1.00 1.00 C ATOM 1560 CD1 TYR A 122 -4.011 -1.627 -2.855 1.00 1.00 C ATOM 1561 CD2 TYR A 122 -2.646 0.359 -2.437 1.00 1.00 C ATOM 1562 CE1 TYR A 122 -3.665 -1.577 -4.223 1.00 1.00 C ATOM 1563 CE2 TYR A 122 -2.292 0.408 -3.798 1.00 1.00 C ATOM 1564 CZ TYR A 122 -2.809 -0.557 -4.696 1.00 1.00 C ATOM 1565 OH TYR A 122 -2.387 -0.538 -5.982 1.00 1.00 O ATOM 0 H TYR A 122 -3.235 -1.113 2.016 1.00 1.00 H new ATOM 0 HA TYR A 122 -3.045 -2.896 -0.296 1.00 1.00 H new ATOM 0 HB2 TYR A 122 -4.727 -1.069 -0.263 1.00 1.00 H new ATOM 0 HB3 TYR A 122 -3.467 0.113 0.030 1.00 1.00 H new ATOM 0 HD1 TYR A 122 -4.672 -2.401 -2.493 1.00 1.00 H new ATOM 0 HD2 TYR A 122 -2.269 1.107 -1.756 1.00 1.00 H new ATOM 0 HE1 TYR A 122 -4.054 -2.317 -4.907 1.00 1.00 H new ATOM 0 HE2 TYR A 122 -1.627 1.180 -4.157 1.00 1.00 H new ATOM 0 HH TYR A 122 -1.584 0.018 -6.054 1.00 1.00 H new ATOM 1575 N HIS A 123 -0.857 -2.298 -1.301 1.00 1.00 N ATOM 1576 CA HIS A 123 0.441 -2.144 -1.976 1.00 1.00 C ATOM 1577 C HIS A 123 0.309 -2.381 -3.505 1.00 1.00 C ATOM 1578 O HIS A 123 -0.753 -2.808 -3.960 1.00 1.00 O ATOM 1579 CB HIS A 123 1.455 -3.065 -1.274 1.00 1.00 C ATOM 1580 CG HIS A 123 2.866 -2.533 -1.201 1.00 1.00 C ATOM 1581 ND1 HIS A 123 3.261 -1.472 -0.414 1.00 1.00 N ATOM 1582 CD2 HIS A 123 3.952 -2.980 -1.900 1.00 1.00 C ATOM 1583 CE1 HIS A 123 4.568 -1.243 -0.654 1.00 1.00 C ATOM 1584 NE2 HIS A 123 5.013 -2.159 -1.549 1.00 1.00 N ATOM 0 H HIS A 123 -1.446 -2.975 -1.786 1.00 1.00 H new ATOM 0 HA HIS A 123 0.810 -1.122 -1.893 1.00 1.00 H new ATOM 0 HB2 HIS A 123 1.104 -3.259 -0.260 1.00 1.00 H new ATOM 0 HB3 HIS A 123 1.472 -4.023 -1.794 1.00 1.00 H new ATOM 0 HD2 HIS A 123 3.979 -3.810 -2.590 1.00 1.00 H new ATOM 0 HE1 HIS A 123 5.162 -0.460 -0.207 1.00 1.00 H new ATOM 0 HE2 HIS A 123 5.966 -2.232 -1.904 1.00 1.00 H new ATOM 1593 N ARG A 124 1.373 -2.115 -4.296 1.00 1.00 N ATOM 1594 CA ARG A 124 1.418 -2.121 -5.795 1.00 1.00 C ATOM 1595 C ARG A 124 0.718 -0.882 -6.417 1.00 1.00 C ATOM 1596 O ARG A 124 0.133 -0.063 -5.700 1.00 1.00 O ATOM 1597 CB ARG A 124 0.831 -3.450 -6.329 1.00 1.00 C ATOM 1598 CG ARG A 124 1.292 -3.890 -7.721 1.00 1.00 C ATOM 1599 CD ARG A 124 0.420 -5.049 -8.220 1.00 1.00 C ATOM 1600 NE ARG A 124 0.976 -5.704 -9.416 1.00 1.00 N ATOM 1601 CZ ARG A 124 0.962 -6.999 -9.675 1.00 1.00 C ATOM 1602 NH1 ARG A 124 0.402 -7.870 -8.884 1.00 1.00 N ATOM 1603 NH2 ARG A 124 1.516 -7.469 -10.755 1.00 1.00 N ATOM 0 H ARG A 124 2.279 -1.876 -3.893 1.00 1.00 H new ATOM 0 HA ARG A 124 2.461 -2.052 -6.103 1.00 1.00 H new ATOM 0 HB2 ARG A 124 1.079 -4.241 -5.622 1.00 1.00 H new ATOM 0 HB3 ARG A 124 -0.255 -3.363 -6.341 1.00 1.00 H new ATOM 0 HG2 ARG A 124 1.230 -3.052 -8.415 1.00 1.00 H new ATOM 0 HG3 ARG A 124 2.337 -4.199 -7.686 1.00 1.00 H new ATOM 0 HD2 ARG A 124 0.312 -5.786 -7.424 1.00 1.00 H new ATOM 0 HD3 ARG A 124 -0.579 -4.676 -8.446 1.00 1.00 H new ATOM 0 HE ARG A 124 1.414 -5.100 -10.111 1.00 1.00 H new ATOM 0 HH11 ARG A 124 -0.050 -7.561 -8.024 1.00 1.00 H new ATOM 0 HH12 ARG A 124 0.416 -8.861 -9.125 1.00 1.00 H new ATOM 0 HH21 ARG A 124 1.968 -6.835 -11.414 1.00 1.00 H new ATOM 0 HH22 ARG A 124 1.498 -8.471 -10.943 1.00 1.00 H new ATOM 1617 N ALA A 125 0.745 -0.722 -7.749 1.00 1.00 N ATOM 1618 CA ALA A 125 0.027 0.356 -8.465 1.00 1.00 C ATOM 1619 C ALA A 125 -0.434 0.013 -9.900 1.00 1.00 C ATOM 1620 O ALA A 125 0.043 -0.951 -10.502 1.00 1.00 O ATOM 1621 CB ALA A 125 0.900 1.629 -8.428 1.00 1.00 C ATOM 0 H ALA A 125 1.269 -1.340 -8.369 1.00 1.00 H new ATOM 0 HA ALA A 125 -0.914 0.513 -7.939 1.00 1.00 H new ATOM 0 HB1 ALA A 125 0.388 2.437 -8.951 1.00 1.00 H new ATOM 0 HB2 ALA A 125 1.074 1.921 -7.392 1.00 1.00 H new ATOM 0 HB3 ALA A 125 1.855 1.430 -8.914 1.00 1.00 H new ATOM 1627 N ILE A 126 -1.346 0.850 -10.435 1.00 1.00 N ATOM 1628 CA ILE A 126 -1.866 0.818 -11.822 1.00 1.00 C ATOM 1629 C ILE A 126 -1.810 2.191 -12.541 1.00 1.00 C ATOM 1630 O ILE A 126 -1.459 2.227 -13.723 1.00 1.00 O ATOM 1631 CB ILE A 126 -3.275 0.153 -11.886 1.00 1.00 C ATOM 1632 CG1 ILE A 126 -3.811 -0.006 -13.327 1.00 1.00 C ATOM 1633 CG2 ILE A 126 -4.352 0.882 -11.053 1.00 1.00 C ATOM 1634 CD1 ILE A 126 -2.996 -0.924 -14.247 1.00 1.00 C ATOM 0 H ILE A 126 -1.761 1.604 -9.887 1.00 1.00 H new ATOM 0 HA ILE A 126 -1.185 0.185 -12.391 1.00 1.00 H new ATOM 0 HB ILE A 126 -3.101 -0.831 -11.451 1.00 1.00 H new ATOM 0 HG12 ILE A 126 -4.830 -0.388 -13.275 1.00 1.00 H new ATOM 0 HG13 ILE A 126 -3.864 0.981 -13.785 1.00 1.00 H new ATOM 0 HG21 ILE A 126 -5.303 0.358 -11.150 1.00 1.00 H new ATOM 0 HG22 ILE A 126 -4.052 0.899 -10.005 1.00 1.00 H new ATOM 0 HG23 ILE A 126 -4.462 1.904 -11.415 1.00 1.00 H new ATOM 0 HD11 ILE A 126 -3.464 -0.961 -15.231 1.00 1.00 H new ATOM 0 HD12 ILE A 126 -1.982 -0.537 -14.342 1.00 1.00 H new ATOM 0 HD13 ILE A 126 -2.963 -1.928 -13.823 1.00 1.00 H new ATOM 1646 N LYS A 127 -2.116 3.314 -11.854 1.00 1.00 N ATOM 1647 CA LYS A 127 -2.078 4.687 -12.398 1.00 1.00 C ATOM 1648 C LYS A 127 -1.416 5.700 -11.447 1.00 1.00 C ATOM 1649 O LYS A 127 -1.976 6.058 -10.408 1.00 1.00 O ATOM 1650 CB LYS A 127 -3.508 5.097 -12.790 1.00 1.00 C ATOM 1651 CG LYS A 127 -3.737 5.512 -14.245 1.00 1.00 C ATOM 1652 CD LYS A 127 -4.274 4.306 -15.019 1.00 1.00 C ATOM 1653 CE LYS A 127 -4.466 4.586 -16.507 1.00 1.00 C ATOM 1654 NZ LYS A 127 -3.211 4.389 -17.258 1.00 1.00 N ATOM 0 H LYS A 127 -2.405 3.288 -10.876 1.00 1.00 H new ATOM 0 HA LYS A 127 -1.442 4.693 -13.283 1.00 1.00 H new ATOM 0 HB2 LYS A 127 -4.173 4.263 -12.567 1.00 1.00 H new ATOM 0 HB3 LYS A 127 -3.811 5.926 -12.150 1.00 1.00 H new ATOM 0 HG2 LYS A 127 -4.445 6.339 -14.295 1.00 1.00 H new ATOM 0 HG3 LYS A 127 -2.805 5.862 -14.689 1.00 1.00 H new ATOM 0 HD2 LYS A 127 -3.586 3.469 -14.899 1.00 1.00 H new ATOM 0 HD3 LYS A 127 -5.227 4.000 -14.587 1.00 1.00 H new ATOM 0 HE2 LYS A 127 -5.238 3.928 -16.906 1.00 1.00 H new ATOM 0 HE3 LYS A 127 -4.817 5.609 -16.644 1.00 1.00 H new ATOM 0 HZ1 LYS A 127 -3.375 4.587 -18.266 1.00 1.00 H new ATOM 0 HZ2 LYS A 127 -2.482 5.035 -16.892 1.00 1.00 H new ATOM 0 HZ3 LYS A 127 -2.890 3.406 -17.146 1.00 1.00 H new ATOM 1667 N ILE A 128 -0.227 6.198 -11.799 1.00 1.00 N ATOM 1668 CA ILE A 128 0.518 7.224 -11.034 1.00 1.00 C ATOM 1669 C ILE A 128 0.778 8.462 -11.903 1.00 1.00 C ATOM 1670 O ILE A 128 1.331 8.319 -12.997 1.00 1.00 O ATOM 1671 CB ILE A 128 1.809 6.655 -10.359 1.00 1.00 C ATOM 1672 CG1 ILE A 128 3.059 6.517 -11.259 1.00 1.00 C ATOM 1673 CG2 ILE A 128 1.589 5.283 -9.683 1.00 1.00 C ATOM 1674 CD1 ILE A 128 4.029 7.713 -11.258 1.00 1.00 C ATOM 0 H ILE A 128 0.263 5.897 -12.642 1.00 1.00 H new ATOM 0 HA ILE A 128 -0.110 7.543 -10.202 1.00 1.00 H new ATOM 0 HB ILE A 128 2.012 7.436 -9.626 1.00 1.00 H new ATOM 0 HG12 ILE A 128 3.609 5.629 -10.949 1.00 1.00 H new ATOM 0 HG13 ILE A 128 2.727 6.345 -12.283 1.00 1.00 H new ATOM 0 HG21 ILE A 128 2.523 4.945 -9.234 1.00 1.00 H new ATOM 0 HG22 ILE A 128 0.827 5.377 -8.909 1.00 1.00 H new ATOM 0 HG23 ILE A 128 1.261 4.558 -10.428 1.00 1.00 H new ATOM 0 HD11 ILE A 128 4.866 7.503 -11.924 1.00 1.00 H new ATOM 0 HD12 ILE A 128 3.507 8.606 -11.602 1.00 1.00 H new ATOM 0 HD13 ILE A 128 4.402 7.878 -10.247 1.00 1.00 H new ATOM 1686 N THR A 129 0.363 9.654 -11.442 1.00 1.00 N ATOM 1687 CA THR A 129 0.756 10.915 -12.120 1.00 1.00 C ATOM 1688 C THR A 129 1.396 11.828 -11.070 1.00 1.00 C ATOM 1689 O THR A 129 0.719 12.263 -10.139 1.00 1.00 O ATOM 1690 CB THR A 129 -0.435 11.591 -12.831 1.00 1.00 C ATOM 1691 OG1 THR A 129 -1.015 10.733 -13.787 1.00 1.00 O ATOM 1692 CG2 THR A 129 -0.035 12.870 -13.585 1.00 1.00 C ATOM 0 H THR A 129 -0.231 9.778 -10.622 1.00 1.00 H new ATOM 0 HA THR A 129 1.474 10.700 -12.911 1.00 1.00 H new ATOM 0 HB THR A 129 -1.135 11.834 -12.032 1.00 1.00 H new ATOM 0 HG1 THR A 129 -1.768 11.187 -14.220 1.00 1.00 H new ATOM 0 HG21 THR A 129 -0.914 13.300 -14.064 1.00 1.00 H new ATOM 0 HG22 THR A 129 0.384 13.590 -12.883 1.00 1.00 H new ATOM 0 HG23 THR A 129 0.709 12.628 -14.343 1.00 1.00 H new ATOM 1700 N VAL A 130 2.661 12.227 -11.268 1.00 1.00 N ATOM 1701 CA VAL A 130 3.445 12.939 -10.230 1.00 1.00 C ATOM 1702 C VAL A 130 3.123 14.439 -10.078 1.00 1.00 C ATOM 1703 O VAL A 130 3.330 14.988 -8.999 1.00 1.00 O ATOM 1704 CB VAL A 130 4.962 12.632 -10.376 1.00 1.00 C ATOM 1705 CG1 VAL A 130 5.720 13.538 -11.362 1.00 1.00 C ATOM 1706 CG2 VAL A 130 5.651 12.644 -9.003 1.00 1.00 C ATOM 0 H VAL A 130 3.170 12.071 -12.138 1.00 1.00 H new ATOM 0 HA VAL A 130 3.117 12.533 -9.273 1.00 1.00 H new ATOM 0 HB VAL A 130 5.006 11.634 -10.812 1.00 1.00 H new ATOM 0 HG11 VAL A 130 6.769 13.244 -11.393 1.00 1.00 H new ATOM 0 HG12 VAL A 130 5.285 13.437 -12.357 1.00 1.00 H new ATOM 0 HG13 VAL A 130 5.643 14.575 -11.036 1.00 1.00 H new ATOM 0 HG21 VAL A 130 6.712 12.427 -9.126 1.00 1.00 H new ATOM 0 HG22 VAL A 130 5.532 13.626 -8.545 1.00 1.00 H new ATOM 0 HG23 VAL A 130 5.198 11.888 -8.362 1.00 1.00 H new ATOM 1716 N ASP A 131 2.596 15.074 -11.135 1.00 1.00 N ATOM 1717 CA ASP A 131 2.196 16.488 -11.230 1.00 1.00 C ATOM 1718 C ASP A 131 0.669 16.709 -11.062 1.00 1.00 C ATOM 1719 O ASP A 131 0.239 17.255 -10.047 1.00 1.00 O ATOM 1720 CB ASP A 131 2.765 17.023 -12.561 1.00 1.00 C ATOM 1721 CG ASP A 131 2.735 18.537 -12.693 1.00 1.00 C ATOM 1722 OD1 ASP A 131 1.621 19.087 -12.822 1.00 1.00 O ATOM 1723 OD2 ASP A 131 3.829 19.141 -12.570 1.00 1.00 O ATOM 0 H ASP A 131 2.425 14.578 -12.010 1.00 1.00 H new ATOM 0 HA ASP A 131 2.611 17.057 -10.398 1.00 1.00 H new ATOM 0 HB2 ASP A 131 3.795 16.682 -12.665 1.00 1.00 H new ATOM 0 HB3 ASP A 131 2.200 16.587 -13.385 1.00 1.00 H new ATOM 1728 N GLY A 132 -0.132 16.263 -12.046 1.00 1.00 N ATOM 1729 CA GLY A 132 -1.591 16.435 -12.152 1.00 1.00 C ATOM 1730 C GLY A 132 -2.047 17.740 -12.850 1.00 1.00 C ATOM 1731 O GLY A 132 -2.913 18.419 -12.290 1.00 1.00 O ATOM 0 H GLY A 132 0.246 15.741 -12.837 1.00 1.00 H new ATOM 0 HA2 GLY A 132 -2.003 15.586 -12.697 1.00 1.00 H new ATOM 0 HA3 GLY A 132 -2.019 16.408 -11.150 1.00 1.00 H new