USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 714 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 55 GLN : amide:sc= -0.143 K(o=-0.42,f=-1.6) USER MOD Set 1.2: A 58 GLN : amide:sc= -0.272 K(o=-0.42,f=-3.6!) USER MOD Set 2.1: A 17 HIS : no HE2:sc= -12.2! C(o=-12!,f=-17!) USER MOD Set 2.2: A 30 TYR OH : rot 150:sc= 0.225 USER MOD Single : A 1 LYS N :NH3+ -138:sc= -1.1 (180deg=-3.36!) USER MOD Single : A 1 LYS NZ :NH3+ -165:sc= -0.0101 (180deg=-0.206) USER MOD Single : A 2 LYS NZ :NH3+ 145:sc= -0.478 (180deg=-1.14) USER MOD Single : A 6 ASN : amide:sc= -0.224 K(o=-0.22,f=-0.76) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.0168 F(o=-1.1,f=-0.017) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-3.5!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 141:sc= -0.328 (180deg=-1.71!) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.0555 USER MOD Single : A 33 ASN : amide:sc= -2! C(o=-2!,f=-7.7!) USER MOD Single : A 40 CYS SG : rot 53:sc= -0.0476 USER MOD Single : A 42 THR OG1 : rot -132:sc= 1.58 USER MOD Single : A 47 TYR OH : rot -62:sc= -5.35! USER MOD Single : A 59 SER OG : rot 109:sc= -0.733 USER MOD Single : A 60 LYS NZ :NH3+ -120:sc= -2.48! (180deg=-6.53!) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 63 THR OG1 : rot 10:sc= -3.3! USER MOD Single : A 65 ASN :FLIP amide:sc= -0.13 F(o=-1.4,f=-0.13) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.582 X(o=-0.58,f=-0.18) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot -121:sc= -1.2 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -8.377 3.762 8.033 1.00 0.00 N ATOM 2 CA LYS A 1 -7.315 3.489 9.043 1.00 0.00 C ATOM 3 C LYS A 1 -6.049 4.265 8.677 1.00 0.00 C ATOM 4 O LYS A 1 -6.063 5.145 7.837 1.00 0.00 O ATOM 5 CB LYS A 1 -7.006 1.991 9.069 1.00 0.00 C ATOM 6 CG LYS A 1 -6.840 1.530 10.519 1.00 0.00 C ATOM 7 CD LYS A 1 -6.850 0.001 10.575 1.00 0.00 C ATOM 8 CE LYS A 1 -6.085 -0.469 11.814 1.00 0.00 C ATOM 9 NZ LYS A 1 -5.911 -1.948 11.759 1.00 0.00 N ATOM 0 H1 LYS A 1 -9.289 3.895 8.515 1.00 0.00 H new ATOM 0 H2 LYS A 1 -8.137 4.623 7.502 1.00 0.00 H new ATOM 0 H3 LYS A 1 -8.447 2.958 7.377 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.662 3.805 10.027 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.811 1.434 8.589 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.096 1.787 8.505 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.905 1.913 10.928 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -7.645 1.932 11.134 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -7.876 -0.366 10.607 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -6.393 -0.410 9.675 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -5.112 0.021 11.862 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -6.627 -0.189 12.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -5.627 -2.299 12.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -6.809 -2.393 11.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -5.176 -2.185 11.063 1.00 0.00 H new ATOM 25 N LYS A 2 -4.954 3.947 9.306 1.00 0.00 N ATOM 26 CA LYS A 2 -3.687 4.666 8.998 1.00 0.00 C ATOM 27 C LYS A 2 -2.638 3.677 8.491 1.00 0.00 C ATOM 28 O LYS A 2 -2.556 2.552 8.944 1.00 0.00 O ATOM 29 CB LYS A 2 -3.161 5.344 10.262 1.00 0.00 C ATOM 30 CG LYS A 2 -3.099 6.858 10.043 1.00 0.00 C ATOM 31 CD LYS A 2 -1.830 7.420 10.692 1.00 0.00 C ATOM 32 CE LYS A 2 -0.605 6.665 10.169 1.00 0.00 C ATOM 33 NZ LYS A 2 -0.032 5.832 11.264 1.00 0.00 N ATOM 0 H LYS A 2 -4.881 3.221 10.019 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.883 5.415 8.231 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.810 5.115 11.107 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -2.171 4.961 10.507 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -3.104 7.082 8.976 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.981 7.334 10.472 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.736 8.483 10.470 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.892 7.325 11.776 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.886 6.034 9.326 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.142 7.370 9.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.344 4.947 10.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.735 6.355 11.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -0.775 5.612 11.958 1.00 0.00 H new ATOM 47 N ALA A 3 -1.833 4.095 7.558 1.00 0.00 N ATOM 48 CA ALA A 3 -0.777 3.194 7.017 1.00 0.00 C ATOM 49 C ALA A 3 0.568 3.926 7.001 1.00 0.00 C ATOM 50 O ALA A 3 0.630 5.137 7.080 1.00 0.00 O ATOM 51 CB ALA A 3 -1.146 2.769 5.593 1.00 0.00 C ATOM 0 H ALA A 3 -1.860 5.027 7.144 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.699 2.310 7.650 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.373 2.110 5.198 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.100 2.242 5.606 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.228 3.652 4.959 1.00 0.00 H new ATOM 57 N VAL A 4 1.644 3.195 6.902 1.00 0.00 N ATOM 58 CA VAL A 4 2.990 3.828 6.883 1.00 0.00 C ATOM 59 C VAL A 4 3.964 2.900 6.159 1.00 0.00 C ATOM 60 O VAL A 4 4.391 1.897 6.697 1.00 0.00 O ATOM 61 CB VAL A 4 3.473 4.038 8.319 1.00 0.00 C ATOM 62 CG1 VAL A 4 4.892 4.615 8.304 1.00 0.00 C ATOM 63 CG2 VAL A 4 2.530 5.006 9.038 1.00 0.00 C ATOM 0 H VAL A 4 1.647 2.177 6.833 1.00 0.00 H new ATOM 0 HA VAL A 4 2.938 4.789 6.371 1.00 0.00 H new ATOM 0 HB VAL A 4 3.479 3.083 8.844 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.235 4.764 9.328 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.561 3.922 7.794 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.891 5.570 7.779 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.874 5.156 10.061 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.521 5.962 8.514 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.522 4.590 9.051 1.00 0.00 H new ATOM 73 N ILE A 5 4.320 3.215 4.946 1.00 0.00 N ATOM 74 CA ILE A 5 5.265 2.332 4.211 1.00 0.00 C ATOM 75 C ILE A 5 6.696 2.779 4.493 1.00 0.00 C ATOM 76 O ILE A 5 7.216 3.681 3.866 1.00 0.00 O ATOM 77 CB ILE A 5 4.988 2.401 2.711 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.475 2.199 2.479 1.00 0.00 C ATOM 79 CG2 ILE A 5 5.810 1.312 2.009 1.00 0.00 C ATOM 80 CD1 ILE A 5 3.215 1.269 1.286 1.00 0.00 C ATOM 0 H ILE A 5 4.001 4.038 4.436 1.00 0.00 H new ATOM 0 HA ILE A 5 5.131 1.303 4.546 1.00 0.00 H new ATOM 0 HB ILE A 5 5.275 3.369 2.301 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.020 1.780 3.376 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.000 3.164 2.302 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.622 1.349 0.936 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.871 1.478 2.198 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.522 0.334 2.394 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.141 1.146 1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.650 1.703 0.385 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.670 0.297 1.477 1.00 0.00 H new ATOM 92 N ASN A 6 7.333 2.149 5.438 1.00 0.00 N ATOM 93 CA ASN A 6 8.731 2.521 5.780 1.00 0.00 C ATOM 94 C ASN A 6 9.692 1.792 4.837 1.00 0.00 C ATOM 95 O ASN A 6 9.833 0.586 4.890 1.00 0.00 O ATOM 96 CB ASN A 6 9.008 2.112 7.227 1.00 0.00 C ATOM 97 CG ASN A 6 9.022 3.356 8.117 1.00 0.00 C ATOM 98 OD1 ASN A 6 9.566 4.377 7.745 1.00 0.00 O ATOM 99 ND2 ASN A 6 8.444 3.314 9.286 1.00 0.00 N ATOM 0 H ASN A 6 6.942 1.387 5.992 1.00 0.00 H new ATOM 0 HA ASN A 6 8.873 3.596 5.671 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.244 1.415 7.571 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.965 1.594 7.293 1.00 0.00 H new ATOM 0 HD21 ASN A 6 8.449 4.138 9.887 1.00 0.00 H new ATOM 0 HD22 ASN A 6 7.987 2.457 9.599 1.00 0.00 H new ATOM 106 N GLY A 7 10.345 2.513 3.966 1.00 0.00 N ATOM 107 CA GLY A 7 11.286 1.861 3.010 1.00 0.00 C ATOM 108 C GLY A 7 12.500 1.309 3.760 1.00 0.00 C ATOM 109 O GLY A 7 13.205 0.450 3.267 1.00 0.00 O ATOM 0 H GLY A 7 10.268 3.526 3.875 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.778 1.055 2.481 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.610 2.581 2.258 1.00 0.00 H new ATOM 113 N GLU A 8 12.755 1.793 4.943 1.00 0.00 N ATOM 114 CA GLU A 8 13.929 1.291 5.712 1.00 0.00 C ATOM 115 C GLU A 8 13.652 -0.130 6.207 1.00 0.00 C ATOM 116 O GLU A 8 14.550 -0.842 6.610 1.00 0.00 O ATOM 117 CB GLU A 8 14.182 2.207 6.911 1.00 0.00 C ATOM 118 CG GLU A 8 15.075 3.374 6.484 1.00 0.00 C ATOM 119 CD GLU A 8 14.571 4.666 7.130 1.00 0.00 C ATOM 120 OE1 GLU A 8 13.438 4.676 7.582 1.00 0.00 O ATOM 121 OE2 GLU A 8 15.326 5.623 7.161 1.00 0.00 O ATOM 0 H GLU A 8 12.203 2.513 5.410 1.00 0.00 H new ATOM 0 HA GLU A 8 14.807 1.284 5.066 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.236 2.583 7.301 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.658 1.647 7.716 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.106 3.184 6.782 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.069 3.472 5.398 1.00 0.00 H new ATOM 128 N GLN A 9 12.414 -0.545 6.194 1.00 0.00 N ATOM 129 CA GLN A 9 12.081 -1.911 6.677 1.00 0.00 C ATOM 130 C GLN A 9 11.836 -2.849 5.493 1.00 0.00 C ATOM 131 O GLN A 9 12.334 -3.957 5.453 1.00 0.00 O ATOM 132 CB GLN A 9 10.817 -1.828 7.526 1.00 0.00 C ATOM 133 CG GLN A 9 11.028 -0.817 8.653 1.00 0.00 C ATOM 134 CD GLN A 9 11.441 -1.552 9.930 1.00 0.00 C ATOM 135 OE1 GLN A 9 12.150 -2.643 9.840 1.00 0.00 O flip ATOM 136 NE2 GLN A 9 11.115 -1.127 11.021 1.00 0.00 N flip ATOM 0 H GLN A 9 11.619 0.006 5.869 1.00 0.00 H new ATOM 0 HA GLN A 9 12.911 -2.302 7.265 1.00 0.00 H new ATOM 0 HB2 GLN A 9 9.970 -1.529 6.909 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.579 -2.808 7.941 1.00 0.00 H new ATOM 0 HG2 GLN A 9 11.796 -0.097 8.371 1.00 0.00 H new ATOM 0 HG3 GLN A 9 10.111 -0.253 8.826 1.00 0.00 H new ATOM 0 HE21 GLN A 9 10.561 -0.274 11.091 1.00 0.00 H new ATOM 0 HE22 GLN A 9 11.396 -1.624 11.867 1.00 0.00 H new ATOM 145 N ILE A 10 11.057 -2.422 4.539 1.00 0.00 N ATOM 146 CA ILE A 10 10.757 -3.293 3.367 1.00 0.00 C ATOM 147 C ILE A 10 12.012 -4.034 2.910 1.00 0.00 C ATOM 148 O ILE A 10 13.059 -3.452 2.704 1.00 0.00 O ATOM 149 CB ILE A 10 10.228 -2.449 2.207 1.00 0.00 C ATOM 150 CG1 ILE A 10 8.827 -1.948 2.542 1.00 0.00 C ATOM 151 CG2 ILE A 10 10.161 -3.310 0.942 1.00 0.00 C ATOM 152 CD1 ILE A 10 7.865 -3.131 2.570 1.00 0.00 C ATOM 0 H ILE A 10 10.613 -1.504 4.520 1.00 0.00 H new ATOM 0 HA ILE A 10 10.002 -4.019 3.670 1.00 0.00 H new ATOM 0 HB ILE A 10 10.893 -1.601 2.043 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.830 -1.443 3.508 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.502 -1.217 1.801 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.784 -2.710 0.113 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.158 -3.678 0.699 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.493 -4.155 1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.862 -2.778 2.809 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.856 -3.616 1.594 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.189 -3.845 3.327 1.00 0.00 H new ATOM 164 N ARG A 11 11.897 -5.318 2.733 1.00 0.00 N ATOM 165 CA ARG A 11 13.048 -6.126 2.271 1.00 0.00 C ATOM 166 C ARG A 11 12.705 -6.736 0.907 1.00 0.00 C ATOM 167 O ARG A 11 13.535 -7.343 0.259 1.00 0.00 O ATOM 168 CB ARG A 11 13.302 -7.241 3.280 1.00 0.00 C ATOM 169 CG ARG A 11 14.050 -6.674 4.485 1.00 0.00 C ATOM 170 CD ARG A 11 15.139 -7.656 4.922 1.00 0.00 C ATOM 171 NE ARG A 11 16.371 -7.424 4.115 1.00 0.00 N ATOM 172 CZ ARG A 11 17.510 -7.927 4.504 1.00 0.00 C ATOM 173 NH1 ARG A 11 17.937 -7.714 5.719 1.00 0.00 N ATOM 174 NH2 ARG A 11 18.223 -8.643 3.678 1.00 0.00 N ATOM 0 H ARG A 11 11.039 -5.847 2.892 1.00 0.00 H new ATOM 0 HA ARG A 11 13.939 -5.504 2.181 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.357 -7.680 3.599 1.00 0.00 H new ATOM 0 HB3 ARG A 11 13.885 -8.038 2.819 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.495 -5.712 4.230 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.356 -6.496 5.306 1.00 0.00 H new ATOM 0 HD2 ARG A 11 15.356 -7.526 5.982 1.00 0.00 H new ATOM 0 HD3 ARG A 11 14.793 -8.681 4.791 1.00 0.00 H new ATOM 0 HE ARG A 11 16.323 -6.872 3.259 1.00 0.00 H new ATOM 0 HH11 ARG A 11 17.380 -7.154 6.365 1.00 0.00 H new ATOM 0 HH12 ARG A 11 18.828 -8.107 6.023 1.00 0.00 H new ATOM 0 HH21 ARG A 11 17.890 -8.809 2.728 1.00 0.00 H new ATOM 0 HH22 ARG A 11 19.114 -9.036 3.982 1.00 0.00 H new ATOM 188 N SER A 12 11.482 -6.577 0.469 1.00 0.00 N ATOM 189 CA SER A 12 11.076 -7.144 -0.848 1.00 0.00 C ATOM 190 C SER A 12 9.601 -6.819 -1.112 1.00 0.00 C ATOM 191 O SER A 12 8.893 -6.331 -0.248 1.00 0.00 O ATOM 192 CB SER A 12 11.268 -8.661 -0.830 1.00 0.00 C ATOM 193 OG SER A 12 11.932 -9.064 -2.021 1.00 0.00 O ATOM 0 H SER A 12 10.747 -6.077 0.970 1.00 0.00 H new ATOM 0 HA SER A 12 11.690 -6.709 -1.636 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.851 -8.955 0.043 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.302 -9.161 -0.751 1.00 0.00 H new ATOM 0 HG SER A 12 12.058 -10.036 -2.012 1.00 0.00 H new ATOM 199 N ILE A 13 9.130 -7.085 -2.301 1.00 0.00 N ATOM 200 CA ILE A 13 7.705 -6.791 -2.617 1.00 0.00 C ATOM 201 C ILE A 13 6.809 -7.435 -1.558 1.00 0.00 C ATOM 202 O ILE A 13 5.921 -6.804 -1.015 1.00 0.00 O ATOM 203 CB ILE A 13 7.359 -7.354 -3.998 1.00 0.00 C ATOM 204 CG1 ILE A 13 5.967 -6.874 -4.418 1.00 0.00 C ATOM 205 CG2 ILE A 13 7.367 -8.879 -3.935 1.00 0.00 C ATOM 206 CD1 ILE A 13 5.824 -5.375 -4.135 1.00 0.00 C ATOM 0 H ILE A 13 9.670 -7.492 -3.064 1.00 0.00 H new ATOM 0 HA ILE A 13 7.546 -5.713 -2.620 1.00 0.00 H new ATOM 0 HB ILE A 13 8.095 -7.009 -4.724 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.810 -7.069 -5.479 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.202 -7.430 -3.875 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.121 -9.285 -4.916 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.356 -9.226 -3.636 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.629 -9.217 -3.207 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.831 -5.041 -4.436 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.961 -5.191 -3.069 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.578 -4.825 -4.698 1.00 0.00 H new ATOM 218 N SER A 14 7.040 -8.683 -1.243 1.00 0.00 N ATOM 219 CA SER A 14 6.206 -9.344 -0.204 1.00 0.00 C ATOM 220 C SER A 14 6.175 -8.436 1.018 1.00 0.00 C ATOM 221 O SER A 14 5.146 -8.214 1.624 1.00 0.00 O ATOM 222 CB SER A 14 6.828 -10.688 0.174 1.00 0.00 C ATOM 223 OG SER A 14 5.983 -11.352 1.105 1.00 0.00 O ATOM 0 H SER A 14 7.766 -9.267 -1.659 1.00 0.00 H new ATOM 0 HA SER A 14 5.197 -9.516 -0.578 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.962 -11.303 -0.716 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.816 -10.535 0.607 1.00 0.00 H new ATOM 0 HG SER A 14 6.379 -12.215 1.348 1.00 0.00 H new ATOM 229 N ASP A 15 7.308 -7.898 1.370 1.00 0.00 N ATOM 230 CA ASP A 15 7.379 -6.988 2.533 1.00 0.00 C ATOM 231 C ASP A 15 6.442 -5.805 2.305 1.00 0.00 C ATOM 232 O ASP A 15 5.721 -5.392 3.188 1.00 0.00 O ATOM 233 CB ASP A 15 8.809 -6.476 2.680 1.00 0.00 C ATOM 234 CG ASP A 15 9.353 -6.863 4.056 1.00 0.00 C ATOM 235 OD1 ASP A 15 8.902 -6.288 5.033 1.00 0.00 O ATOM 236 OD2 ASP A 15 10.212 -7.728 4.110 1.00 0.00 O ATOM 0 H ASP A 15 8.195 -8.055 0.892 1.00 0.00 H new ATOM 0 HA ASP A 15 7.083 -7.521 3.437 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.439 -6.897 1.897 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.832 -5.393 2.560 1.00 0.00 H new ATOM 241 N LEU A 16 6.446 -5.260 1.121 1.00 0.00 N ATOM 242 CA LEU A 16 5.551 -4.105 0.829 1.00 0.00 C ATOM 243 C LEU A 16 4.113 -4.505 1.149 1.00 0.00 C ATOM 244 O LEU A 16 3.419 -3.853 1.908 1.00 0.00 O ATOM 245 CB LEU A 16 5.669 -3.746 -0.653 1.00 0.00 C ATOM 246 CG LEU A 16 5.039 -2.374 -0.909 1.00 0.00 C ATOM 247 CD1 LEU A 16 5.558 -1.368 0.119 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.413 -1.898 -2.315 1.00 0.00 C ATOM 0 H LEU A 16 7.030 -5.564 0.342 1.00 0.00 H new ATOM 0 HA LEU A 16 5.835 -3.244 1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.717 -3.736 -0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.172 -4.503 -1.260 1.00 0.00 H new ATOM 0 HG LEU A 16 3.955 -2.453 -0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.107 -0.393 -0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.295 -1.704 1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.642 -1.289 0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.966 -0.921 -2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.497 -1.822 -2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.043 -2.612 -3.051 1.00 0.00 H new ATOM 260 N HIS A 17 3.671 -5.586 0.579 1.00 0.00 N ATOM 261 CA HIS A 17 2.292 -6.062 0.837 1.00 0.00 C ATOM 262 C HIS A 17 2.162 -6.444 2.313 1.00 0.00 C ATOM 263 O HIS A 17 1.080 -6.495 2.862 1.00 0.00 O ATOM 264 CB HIS A 17 2.026 -7.281 -0.045 1.00 0.00 C ATOM 265 CG HIS A 17 2.329 -6.934 -1.477 1.00 0.00 C ATOM 266 ND1 HIS A 17 1.472 -6.166 -2.249 1.00 0.00 N ATOM 267 CD2 HIS A 17 3.391 -7.241 -2.291 1.00 0.00 C ATOM 268 CE1 HIS A 17 2.026 -6.038 -3.467 1.00 0.00 C ATOM 269 NE2 HIS A 17 3.196 -6.674 -3.547 1.00 0.00 N ATOM 0 H HIS A 17 4.214 -6.165 -0.062 1.00 0.00 H new ATOM 0 HA HIS A 17 1.568 -5.280 0.607 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.644 -8.119 0.277 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.987 -7.595 0.053 1.00 0.00 H new ATOM 0 HD1 HIS A 17 0.582 -5.770 -1.948 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.247 -7.832 -2.001 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.579 -5.488 -4.281 1.00 0.00 H new ATOM 277 N GLN A 18 3.262 -6.710 2.961 1.00 0.00 N ATOM 278 CA GLN A 18 3.207 -7.084 4.393 1.00 0.00 C ATOM 279 C GLN A 18 2.801 -5.865 5.220 1.00 0.00 C ATOM 280 O GLN A 18 1.853 -5.904 5.978 1.00 0.00 O ATOM 281 CB GLN A 18 4.583 -7.572 4.847 1.00 0.00 C ATOM 282 CG GLN A 18 4.414 -8.732 5.831 1.00 0.00 C ATOM 283 CD GLN A 18 5.788 -9.286 6.211 1.00 0.00 C ATOM 284 OE1 GLN A 18 6.790 -8.901 5.641 1.00 0.00 O ATOM 285 NE2 GLN A 18 5.879 -10.180 7.157 1.00 0.00 N ATOM 0 H GLN A 18 4.197 -6.683 2.555 1.00 0.00 H new ATOM 0 HA GLN A 18 2.476 -7.880 4.533 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.169 -7.894 3.986 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.132 -6.757 5.319 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.888 -8.392 6.723 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.805 -9.517 5.382 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.038 -10.503 7.636 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.791 -10.555 7.418 1.00 0.00 H new ATOM 294 N THR A 19 3.516 -4.781 5.084 1.00 0.00 N ATOM 295 CA THR A 19 3.176 -3.568 5.862 1.00 0.00 C ATOM 296 C THR A 19 1.790 -3.081 5.425 1.00 0.00 C ATOM 297 O THR A 19 0.985 -2.665 6.232 1.00 0.00 O ATOM 298 CB THR A 19 4.261 -2.489 5.636 1.00 0.00 C ATOM 299 OG1 THR A 19 4.884 -2.196 6.878 1.00 0.00 O ATOM 300 CG2 THR A 19 3.660 -1.193 5.077 1.00 0.00 C ATOM 0 H THR A 19 4.321 -4.689 4.465 1.00 0.00 H new ATOM 0 HA THR A 19 3.146 -3.787 6.929 1.00 0.00 H new ATOM 0 HB THR A 19 4.980 -2.877 4.915 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.575 -1.514 6.745 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.452 -0.458 4.931 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.175 -1.399 4.123 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.925 -0.800 5.780 1.00 0.00 H new ATOM 308 N LEU A 20 1.503 -3.141 4.152 1.00 0.00 N ATOM 309 CA LEU A 20 0.174 -2.699 3.674 1.00 0.00 C ATOM 310 C LEU A 20 -0.890 -3.593 4.306 1.00 0.00 C ATOM 311 O LEU A 20 -1.974 -3.171 4.626 1.00 0.00 O ATOM 312 CB LEU A 20 0.119 -2.846 2.156 1.00 0.00 C ATOM 313 CG LEU A 20 0.997 -1.782 1.495 1.00 0.00 C ATOM 314 CD1 LEU A 20 0.865 -1.898 -0.021 1.00 0.00 C ATOM 315 CD2 LEU A 20 0.548 -0.385 1.941 1.00 0.00 C ATOM 0 H LEU A 20 2.136 -3.478 3.427 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.001 -1.659 3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.458 -3.841 1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.910 -2.747 1.810 1.00 0.00 H new ATOM 0 HG LEU A 20 2.035 -1.934 1.790 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.488 -1.142 -0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.188 -2.889 -0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.175 -1.745 -0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.177 0.368 1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.490 -0.226 1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.637 -0.303 3.024 1.00 0.00 H new ATOM 327 N LYS A 21 -0.565 -4.834 4.476 1.00 0.00 N ATOM 328 CA LYS A 21 -1.517 -5.809 5.081 1.00 0.00 C ATOM 329 C LYS A 21 -1.736 -5.472 6.555 1.00 0.00 C ATOM 330 O LYS A 21 -2.835 -5.541 7.058 1.00 0.00 O ATOM 331 CB LYS A 21 -0.926 -7.215 4.972 1.00 0.00 C ATOM 332 CG LYS A 21 -1.985 -8.250 5.357 1.00 0.00 C ATOM 333 CD LYS A 21 -1.308 -9.436 6.047 1.00 0.00 C ATOM 334 CE LYS A 21 -2.372 -10.412 6.551 1.00 0.00 C ATOM 335 NZ LYS A 21 -1.955 -10.963 7.872 1.00 0.00 N ATOM 0 H LYS A 21 0.339 -5.229 4.217 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.470 -5.760 4.554 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.579 -7.396 3.955 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.059 -7.307 5.626 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.723 -7.801 6.022 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.519 -8.588 4.469 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.638 -9.940 5.351 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.698 -9.086 6.880 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.332 -9.904 6.643 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.507 -11.221 5.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.678 -11.627 8.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.048 -11.462 7.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.847 -10.185 8.554 1.00 0.00 H new ATOM 349 N LYS A 22 -0.699 -5.111 7.252 1.00 0.00 N ATOM 350 CA LYS A 22 -0.853 -4.769 8.686 1.00 0.00 C ATOM 351 C LYS A 22 -1.727 -3.529 8.797 1.00 0.00 C ATOM 352 O LYS A 22 -2.767 -3.528 9.426 1.00 0.00 O ATOM 353 CB LYS A 22 0.519 -4.459 9.272 1.00 0.00 C ATOM 354 CG LYS A 22 0.400 -4.255 10.783 1.00 0.00 C ATOM 355 CD LYS A 22 1.228 -5.316 11.510 1.00 0.00 C ATOM 356 CE LYS A 22 0.532 -5.698 12.818 1.00 0.00 C ATOM 357 NZ LYS A 22 -0.837 -6.206 12.521 1.00 0.00 N ATOM 0 H LYS A 22 0.251 -5.038 6.888 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.307 -5.601 9.224 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.209 -5.275 9.059 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.930 -3.564 8.806 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.748 -3.258 11.054 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.644 -4.322 11.088 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.346 -6.196 10.878 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.228 -4.934 11.716 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.109 -6.461 13.341 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.475 -4.833 13.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.053 -7.008 13.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.531 -5.447 12.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.884 -6.519 11.530 1.00 0.00 H new ATOM 371 N GLU A 23 -1.301 -2.476 8.169 1.00 0.00 N ATOM 372 CA GLU A 23 -2.067 -1.215 8.191 1.00 0.00 C ATOM 373 C GLU A 23 -3.480 -1.489 7.695 1.00 0.00 C ATOM 374 O GLU A 23 -4.444 -1.428 8.433 1.00 0.00 O ATOM 375 CB GLU A 23 -1.374 -0.239 7.249 1.00 0.00 C ATOM 376 CG GLU A 23 0.016 0.081 7.794 1.00 0.00 C ATOM 377 CD GLU A 23 -0.086 0.462 9.273 1.00 0.00 C ATOM 378 OE1 GLU A 23 -0.098 -0.439 10.096 1.00 0.00 O ATOM 379 OE2 GLU A 23 -0.151 1.646 9.557 1.00 0.00 O ATOM 0 H GLU A 23 -0.435 -2.439 7.631 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.115 -0.801 9.198 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.296 -0.671 6.251 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.961 0.675 7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.672 -0.782 7.675 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.460 0.899 7.227 1.00 0.00 H new ATOM 386 N LEU A 24 -3.593 -1.807 6.443 1.00 0.00 N ATOM 387 CA LEU A 24 -4.914 -2.114 5.849 1.00 0.00 C ATOM 388 C LEU A 24 -5.563 -3.261 6.623 1.00 0.00 C ATOM 389 O LEU A 24 -6.745 -3.513 6.500 1.00 0.00 O ATOM 390 CB LEU A 24 -4.704 -2.541 4.396 1.00 0.00 C ATOM 391 CG LEU A 24 -4.117 -1.376 3.599 1.00 0.00 C ATOM 392 CD1 LEU A 24 -3.023 -1.899 2.668 1.00 0.00 C ATOM 393 CD2 LEU A 24 -5.220 -0.718 2.769 1.00 0.00 C ATOM 0 H LEU A 24 -2.809 -1.868 5.793 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.559 -1.237 5.895 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.034 -3.399 4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.652 -2.854 3.958 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.693 -0.643 4.285 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.603 -1.070 2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.237 -2.369 3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.448 -2.632 1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.801 0.113 2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.644 -1.450 2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.002 -0.347 3.432 1.00 0.00 H new ATOM 405 N ALA A 25 -4.800 -3.969 7.415 1.00 0.00 N ATOM 406 CA ALA A 25 -5.380 -5.099 8.180 1.00 0.00 C ATOM 407 C ALA A 25 -6.095 -6.041 7.211 1.00 0.00 C ATOM 408 O ALA A 25 -7.228 -6.428 7.421 1.00 0.00 O ATOM 409 CB ALA A 25 -6.363 -4.546 9.202 1.00 0.00 C ATOM 0 H ALA A 25 -3.803 -3.810 7.561 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.597 -5.651 8.699 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.797 -5.368 9.771 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.841 -3.870 9.880 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.156 -4.003 8.687 1.00 0.00 H new ATOM 415 N LEU A 26 -5.433 -6.410 6.149 1.00 0.00 N ATOM 416 CA LEU A 26 -6.053 -7.327 5.153 1.00 0.00 C ATOM 417 C LEU A 26 -6.122 -8.738 5.745 1.00 0.00 C ATOM 418 O LEU A 26 -5.413 -9.047 6.682 1.00 0.00 O ATOM 419 CB LEU A 26 -5.192 -7.342 3.885 1.00 0.00 C ATOM 420 CG LEU A 26 -4.854 -5.906 3.477 1.00 0.00 C ATOM 421 CD1 LEU A 26 -3.834 -5.925 2.343 1.00 0.00 C ATOM 422 CD2 LEU A 26 -6.125 -5.193 3.009 1.00 0.00 C ATOM 0 H LEU A 26 -4.483 -6.113 5.928 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.059 -6.987 4.907 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.276 -7.906 4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.725 -7.844 3.078 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.436 -5.376 4.333 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.594 -4.902 2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.928 -6.430 2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.251 -6.456 1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.883 -4.171 2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.546 -5.723 2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.853 -5.177 3.820 1.00 0.00 H new ATOM 434 N PRO A 27 -6.973 -9.557 5.180 1.00 0.00 N ATOM 435 CA PRO A 27 -7.145 -10.945 5.641 1.00 0.00 C ATOM 436 C PRO A 27 -5.802 -11.678 5.610 1.00 0.00 C ATOM 437 O PRO A 27 -4.789 -11.119 5.241 1.00 0.00 O ATOM 438 CB PRO A 27 -8.129 -11.570 4.644 1.00 0.00 C ATOM 439 CG PRO A 27 -8.602 -10.448 3.684 1.00 0.00 C ATOM 440 CD PRO A 27 -7.826 -9.171 4.041 1.00 0.00 C ATOM 0 HA PRO A 27 -7.513 -11.003 6.665 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.649 -12.374 4.086 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.978 -12.008 5.168 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.419 -10.729 2.647 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.675 -10.285 3.786 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.228 -8.823 3.199 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.502 -8.359 4.310 1.00 0.00 H new ATOM 448 N GLU A 28 -5.787 -12.926 5.986 1.00 0.00 N ATOM 449 CA GLU A 28 -4.511 -13.690 5.966 1.00 0.00 C ATOM 450 C GLU A 28 -4.222 -14.124 4.530 1.00 0.00 C ATOM 451 O GLU A 28 -3.127 -14.532 4.197 1.00 0.00 O ATOM 452 CB GLU A 28 -4.647 -14.925 6.852 1.00 0.00 C ATOM 453 CG GLU A 28 -4.914 -14.493 8.296 1.00 0.00 C ATOM 454 CD GLU A 28 -5.872 -15.486 8.957 1.00 0.00 C ATOM 455 OE1 GLU A 28 -6.673 -16.070 8.246 1.00 0.00 O ATOM 456 OE2 GLU A 28 -5.787 -15.646 10.164 1.00 0.00 O ATOM 0 H GLU A 28 -6.602 -13.449 6.306 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.697 -13.067 6.338 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.461 -15.555 6.493 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.737 -15.523 6.803 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.978 -14.449 8.853 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.343 -13.491 8.314 1.00 0.00 H new ATOM 463 N TYR A 29 -5.202 -14.026 3.675 1.00 0.00 N ATOM 464 CA TYR A 29 -5.001 -14.415 2.252 1.00 0.00 C ATOM 465 C TYR A 29 -4.812 -13.146 1.421 1.00 0.00 C ATOM 466 O TYR A 29 -4.949 -13.156 0.214 1.00 0.00 O ATOM 467 CB TYR A 29 -6.228 -15.184 1.746 1.00 0.00 C ATOM 468 CG TYR A 29 -7.468 -14.674 2.441 1.00 0.00 C ATOM 469 CD1 TYR A 29 -8.151 -13.563 1.931 1.00 0.00 C ATOM 470 CD2 TYR A 29 -7.929 -15.306 3.602 1.00 0.00 C ATOM 471 CE1 TYR A 29 -9.295 -13.086 2.582 1.00 0.00 C ATOM 472 CE2 TYR A 29 -9.072 -14.828 4.253 1.00 0.00 C ATOM 473 CZ TYR A 29 -9.756 -13.718 3.743 1.00 0.00 C ATOM 474 OH TYR A 29 -10.883 -13.248 4.384 1.00 0.00 O ATOM 0 H TYR A 29 -6.138 -13.691 3.903 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.122 -15.054 2.163 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.327 -15.062 0.667 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.105 -16.250 1.936 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.795 -13.074 1.036 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.402 -16.163 3.995 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.822 -12.230 2.188 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.427 -15.316 5.149 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.066 -13.801 5.172 1.00 0.00 H new ATOM 484 N TYR A 30 -4.505 -12.051 2.070 1.00 0.00 N ATOM 485 CA TYR A 30 -4.308 -10.765 1.335 1.00 0.00 C ATOM 486 C TYR A 30 -3.571 -11.028 0.020 1.00 0.00 C ATOM 487 O TYR A 30 -2.462 -11.524 0.004 1.00 0.00 O ATOM 488 CB TYR A 30 -3.486 -9.798 2.205 1.00 0.00 C ATOM 489 CG TYR A 30 -2.886 -8.695 1.350 1.00 0.00 C ATOM 490 CD1 TYR A 30 -3.549 -8.256 0.197 1.00 0.00 C ATOM 491 CD2 TYR A 30 -1.661 -8.117 1.712 1.00 0.00 C ATOM 492 CE1 TYR A 30 -2.990 -7.241 -0.590 1.00 0.00 C ATOM 493 CE2 TYR A 30 -1.100 -7.099 0.923 1.00 0.00 C ATOM 494 CZ TYR A 30 -1.768 -6.664 -0.228 1.00 0.00 C ATOM 495 OH TYR A 30 -1.223 -5.663 -1.005 1.00 0.00 O ATOM 0 H TYR A 30 -4.382 -11.993 3.081 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.279 -10.321 1.117 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.122 -9.364 2.977 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.692 -10.343 2.716 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.492 -8.700 -0.085 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.147 -8.455 2.600 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.503 -6.903 -1.478 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.157 -6.654 1.203 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.694 -5.062 -0.440 1.00 0.00 H new ATOM 505 N GLY A 31 -4.176 -10.680 -1.081 1.00 0.00 N ATOM 506 CA GLY A 31 -3.509 -10.887 -2.393 1.00 0.00 C ATOM 507 C GLY A 31 -2.540 -9.731 -2.636 1.00 0.00 C ATOM 508 O GLY A 31 -2.941 -8.592 -2.763 1.00 0.00 O ATOM 0 H GLY A 31 -5.105 -10.261 -1.127 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.974 -11.837 -2.400 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.250 -10.933 -3.191 1.00 0.00 H new ATOM 512 N GLU A 32 -1.268 -10.011 -2.697 1.00 0.00 N ATOM 513 CA GLU A 32 -0.271 -8.924 -2.923 1.00 0.00 C ATOM 514 C GLU A 32 -0.377 -8.395 -4.357 1.00 0.00 C ATOM 515 O GLU A 32 0.363 -7.519 -4.758 1.00 0.00 O ATOM 516 CB GLU A 32 1.137 -9.475 -2.690 1.00 0.00 C ATOM 517 CG GLU A 32 1.265 -10.847 -3.356 1.00 0.00 C ATOM 518 CD GLU A 32 2.464 -10.842 -4.306 1.00 0.00 C ATOM 519 OE1 GLU A 32 3.536 -10.453 -3.873 1.00 0.00 O ATOM 520 OE2 GLU A 32 2.289 -11.227 -5.451 1.00 0.00 O ATOM 0 H GLU A 32 -0.874 -10.947 -2.600 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.472 -8.108 -2.229 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.879 -8.790 -3.099 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.334 -9.558 -1.621 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.391 -11.621 -2.599 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.353 -11.083 -3.905 1.00 0.00 H new ATOM 527 N ASN A 33 -1.288 -8.913 -5.134 1.00 0.00 N ATOM 528 CA ASN A 33 -1.430 -8.429 -6.536 1.00 0.00 C ATOM 529 C ASN A 33 -2.230 -7.127 -6.548 1.00 0.00 C ATOM 530 O ASN A 33 -2.967 -6.836 -5.636 1.00 0.00 O ATOM 531 CB ASN A 33 -2.150 -9.480 -7.393 1.00 0.00 C ATOM 532 CG ASN A 33 -3.268 -10.161 -6.593 1.00 0.00 C ATOM 533 OD1 ASN A 33 -4.420 -9.802 -6.716 1.00 0.00 O ATOM 534 ND2 ASN A 33 -2.979 -11.146 -5.788 1.00 0.00 N ATOM 0 H ASN A 33 -1.939 -9.649 -4.860 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.437 -8.255 -6.951 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.568 -9.007 -8.281 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.435 -10.228 -7.737 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.721 -11.611 -5.265 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -2.011 -11.451 -5.682 1.00 0.00 H new ATOM 541 N LEU A 34 -2.090 -6.342 -7.577 1.00 0.00 N ATOM 542 CA LEU A 34 -2.846 -5.058 -7.652 1.00 0.00 C ATOM 543 C LEU A 34 -4.341 -5.342 -7.576 1.00 0.00 C ATOM 544 O LEU A 34 -5.106 -4.605 -6.997 1.00 0.00 O ATOM 545 CB LEU A 34 -2.558 -4.397 -8.990 1.00 0.00 C ATOM 546 CG LEU A 34 -1.105 -3.931 -9.036 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.821 -3.285 -10.394 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.865 -2.909 -7.924 1.00 0.00 C ATOM 0 H LEU A 34 -1.483 -6.533 -8.374 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.545 -4.411 -6.828 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.750 -5.099 -9.801 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.226 -3.549 -9.138 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.442 -4.785 -8.895 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.216 -2.952 -10.429 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.995 -4.013 -11.187 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.482 -2.430 -10.535 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.172 -2.575 -7.955 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.526 -2.054 -8.066 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.069 -3.369 -6.957 1.00 0.00 H new ATOM 560 N ASP A 35 -4.749 -6.399 -8.192 1.00 0.00 N ATOM 561 CA ASP A 35 -6.186 -6.778 -8.211 1.00 0.00 C ATOM 562 C ASP A 35 -6.689 -7.051 -6.796 1.00 0.00 C ATOM 563 O ASP A 35 -7.816 -6.751 -6.455 1.00 0.00 O ATOM 564 CB ASP A 35 -6.318 -8.063 -9.009 1.00 0.00 C ATOM 565 CG ASP A 35 -6.047 -7.784 -10.489 1.00 0.00 C ATOM 566 OD1 ASP A 35 -5.937 -6.622 -10.843 1.00 0.00 O ATOM 567 OD2 ASP A 35 -5.955 -8.739 -11.244 1.00 0.00 O ATOM 0 H ASP A 35 -4.136 -7.038 -8.699 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.767 -5.966 -8.648 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.615 -8.808 -8.635 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.318 -8.478 -8.885 1.00 0.00 H new ATOM 572 N ALA A 36 -5.866 -7.635 -5.977 1.00 0.00 N ATOM 573 CA ALA A 36 -6.302 -7.952 -4.587 1.00 0.00 C ATOM 574 C ALA A 36 -6.184 -6.704 -3.740 1.00 0.00 C ATOM 575 O ALA A 36 -7.146 -6.212 -3.192 1.00 0.00 O ATOM 576 CB ALA A 36 -5.413 -9.040 -3.994 1.00 0.00 C ATOM 0 H ALA A 36 -4.910 -7.908 -6.206 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.334 -8.303 -4.605 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.740 -9.264 -2.979 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.483 -9.940 -4.605 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.379 -8.695 -3.974 1.00 0.00 H new ATOM 582 N LEU A 37 -5.000 -6.185 -3.651 1.00 0.00 N ATOM 583 CA LEU A 37 -4.774 -4.947 -2.864 1.00 0.00 C ATOM 584 C LEU A 37 -5.910 -3.980 -3.181 1.00 0.00 C ATOM 585 O LEU A 37 -6.575 -3.436 -2.311 1.00 0.00 O ATOM 586 CB LEU A 37 -3.441 -4.337 -3.301 1.00 0.00 C ATOM 587 CG LEU A 37 -3.389 -2.862 -2.902 1.00 0.00 C ATOM 588 CD1 LEU A 37 -3.316 -2.746 -1.378 1.00 0.00 C ATOM 589 CD2 LEU A 37 -2.153 -2.209 -3.523 1.00 0.00 C ATOM 0 H LEU A 37 -4.166 -6.569 -4.095 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.747 -5.155 -1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.615 -4.877 -2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.322 -4.435 -4.380 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.286 -2.358 -3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.279 -1.694 -1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.197 -3.210 -0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.420 -3.251 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.116 -1.157 -3.239 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.256 -2.714 -3.165 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.206 -2.290 -4.609 1.00 0.00 H new ATOM 601 N TRP A 38 -6.132 -3.782 -4.440 1.00 0.00 N ATOM 602 CA TRP A 38 -7.212 -2.887 -4.877 1.00 0.00 C ATOM 603 C TRP A 38 -8.514 -3.417 -4.326 1.00 0.00 C ATOM 604 O TRP A 38 -9.237 -2.742 -3.630 1.00 0.00 O ATOM 605 CB TRP A 38 -7.301 -2.894 -6.398 1.00 0.00 C ATOM 606 CG TRP A 38 -8.439 -2.030 -6.796 1.00 0.00 C ATOM 607 CD1 TRP A 38 -9.713 -2.439 -6.908 1.00 0.00 C ATOM 608 CD2 TRP A 38 -8.429 -0.619 -7.102 1.00 0.00 C ATOM 609 NE1 TRP A 38 -10.498 -1.359 -7.281 1.00 0.00 N ATOM 610 CE2 TRP A 38 -9.742 -0.209 -7.411 1.00 0.00 C ATOM 611 CE3 TRP A 38 -7.409 0.331 -7.143 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -10.029 1.114 -7.749 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -7.681 1.653 -7.473 1.00 0.00 C ATOM 614 CH2 TRP A 38 -8.992 2.054 -7.777 1.00 0.00 C ATOM 0 H TRP A 38 -5.599 -4.212 -5.195 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.017 -1.874 -4.524 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.373 -2.527 -6.835 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.447 -3.909 -6.766 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -10.068 -3.444 -6.736 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.505 -1.407 -7.439 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.395 0.036 -6.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.040 1.410 -7.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.879 2.376 -7.496 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -9.199 3.083 -8.031 1.00 0.00 H new ATOM 625 N ASP A 39 -8.802 -4.641 -4.630 1.00 0.00 N ATOM 626 CA ASP A 39 -10.053 -5.252 -4.124 1.00 0.00 C ATOM 627 C ASP A 39 -10.194 -4.908 -2.643 1.00 0.00 C ATOM 628 O ASP A 39 -11.280 -4.877 -2.100 1.00 0.00 O ATOM 629 CB ASP A 39 -9.992 -6.768 -4.302 1.00 0.00 C ATOM 630 CG ASP A 39 -10.944 -7.190 -5.423 1.00 0.00 C ATOM 631 OD1 ASP A 39 -10.545 -7.113 -6.573 1.00 0.00 O ATOM 632 OD2 ASP A 39 -12.056 -7.583 -5.111 1.00 0.00 O ATOM 0 H ASP A 39 -8.224 -5.249 -5.210 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.910 -4.868 -4.678 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.974 -7.076 -4.540 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.266 -7.265 -3.372 1.00 0.00 H new ATOM 637 N CYS A 40 -9.095 -4.641 -1.985 1.00 0.00 N ATOM 638 CA CYS A 40 -9.154 -4.293 -0.546 1.00 0.00 C ATOM 639 C CYS A 40 -9.567 -2.826 -0.385 1.00 0.00 C ATOM 640 O CYS A 40 -10.471 -2.510 0.362 1.00 0.00 O ATOM 641 CB CYS A 40 -7.774 -4.506 0.074 1.00 0.00 C ATOM 642 SG CYS A 40 -7.173 -6.160 -0.346 1.00 0.00 S ATOM 0 H CYS A 40 -8.159 -4.651 -2.390 1.00 0.00 H new ATOM 0 HA CYS A 40 -9.886 -4.927 -0.046 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -7.079 -3.751 -0.292 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -7.828 -4.391 1.157 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.225 -6.326 -1.634 1.00 0.00 H new ATOM 648 N LEU A 41 -8.913 -1.921 -1.068 1.00 0.00 N ATOM 649 CA LEU A 41 -9.278 -0.491 -0.927 1.00 0.00 C ATOM 650 C LEU A 41 -10.732 -0.264 -1.359 1.00 0.00 C ATOM 651 O LEU A 41 -11.502 0.381 -0.675 1.00 0.00 O ATOM 652 CB LEU A 41 -8.361 0.350 -1.812 1.00 0.00 C ATOM 653 CG LEU A 41 -6.905 -0.075 -1.616 1.00 0.00 C ATOM 654 CD1 LEU A 41 -6.015 0.801 -2.484 1.00 0.00 C ATOM 655 CD2 LEU A 41 -6.510 0.092 -0.148 1.00 0.00 C ATOM 0 H LEU A 41 -8.147 -2.115 -1.713 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.167 -0.201 0.118 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.644 0.232 -2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.476 1.406 -1.568 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.787 -1.121 -1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.974 0.506 -2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.296 0.681 -3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.136 1.844 -2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.472 -0.212 -0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.623 1.137 0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.154 -0.529 0.475 1.00 0.00 H new ATOM 667 N THR A 42 -11.098 -0.763 -2.505 1.00 0.00 N ATOM 668 CA THR A 42 -12.475 -0.562 -3.018 1.00 0.00 C ATOM 669 C THR A 42 -13.489 -1.396 -2.230 1.00 0.00 C ATOM 670 O THR A 42 -14.673 -1.345 -2.499 1.00 0.00 O ATOM 671 CB THR A 42 -12.524 -0.969 -4.492 1.00 0.00 C ATOM 672 OG1 THR A 42 -11.854 -2.210 -4.661 1.00 0.00 O ATOM 673 CG2 THR A 42 -11.841 0.103 -5.344 1.00 0.00 C ATOM 0 H THR A 42 -10.490 -1.309 -3.115 1.00 0.00 H new ATOM 0 HA THR A 42 -12.735 0.490 -2.904 1.00 0.00 H new ATOM 0 HB THR A 42 -13.563 -1.071 -4.807 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.237 -2.148 -5.420 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.877 -0.189 -6.394 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.357 1.054 -5.214 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.802 0.208 -5.032 1.00 0.00 H new ATOM 681 N GLY A 43 -13.061 -2.168 -1.266 1.00 0.00 N ATOM 682 CA GLY A 43 -14.057 -2.982 -0.505 1.00 0.00 C ATOM 683 C GLY A 43 -13.389 -3.748 0.639 1.00 0.00 C ATOM 684 O GLY A 43 -13.305 -4.959 0.615 1.00 0.00 O ATOM 0 H GLY A 43 -12.088 -2.270 -0.976 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.833 -2.330 -0.105 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.547 -3.685 -1.179 1.00 0.00 H new ATOM 688 N TRP A 44 -12.936 -3.056 1.649 1.00 0.00 N ATOM 689 CA TRP A 44 -12.294 -3.742 2.804 1.00 0.00 C ATOM 690 C TRP A 44 -11.710 -2.699 3.756 1.00 0.00 C ATOM 691 O TRP A 44 -12.096 -2.601 4.904 1.00 0.00 O ATOM 692 CB TRP A 44 -11.171 -4.647 2.306 1.00 0.00 C ATOM 693 CG TRP A 44 -10.508 -5.299 3.477 1.00 0.00 C ATOM 694 CD1 TRP A 44 -9.432 -4.806 4.130 1.00 0.00 C ATOM 695 CD2 TRP A 44 -10.858 -6.546 4.145 1.00 0.00 C ATOM 696 NE1 TRP A 44 -9.097 -5.671 5.157 1.00 0.00 N ATOM 697 CE2 TRP A 44 -9.947 -6.758 5.206 1.00 0.00 C ATOM 698 CE3 TRP A 44 -11.866 -7.504 3.935 1.00 0.00 C ATOM 699 CZ2 TRP A 44 -10.033 -7.881 6.031 1.00 0.00 C ATOM 700 CZ3 TRP A 44 -11.955 -8.636 4.763 1.00 0.00 C ATOM 701 CH2 TRP A 44 -11.040 -8.823 5.808 1.00 0.00 C ATOM 0 H TRP A 44 -12.984 -2.040 1.723 1.00 0.00 H new ATOM 0 HA TRP A 44 -13.041 -4.340 3.325 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -11.570 -5.404 1.631 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -10.444 -4.066 1.739 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.918 -3.887 3.890 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.318 -5.524 5.799 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -12.576 -7.369 3.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.326 -8.020 6.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -12.733 -9.366 4.593 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -11.113 -9.695 6.441 1.00 0.00 H new ATOM 712 N VAL A 45 -10.772 -1.929 3.286 1.00 0.00 N ATOM 713 CA VAL A 45 -10.142 -0.900 4.147 1.00 0.00 C ATOM 714 C VAL A 45 -11.150 0.208 4.460 1.00 0.00 C ATOM 715 O VAL A 45 -11.977 0.558 3.642 1.00 0.00 O ATOM 716 CB VAL A 45 -8.937 -0.309 3.418 1.00 0.00 C ATOM 717 CG1 VAL A 45 -8.143 0.581 4.376 1.00 0.00 C ATOM 718 CG2 VAL A 45 -8.044 -1.448 2.918 1.00 0.00 C ATOM 0 H VAL A 45 -10.413 -1.971 2.332 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.819 -1.357 5.082 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.278 0.288 2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.284 1.002 3.854 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.781 1.389 4.735 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.798 -0.013 5.223 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.182 -1.032 2.397 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.703 -2.042 3.766 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.610 -2.081 2.235 1.00 0.00 H new ATOM 728 N GLU A 46 -11.084 0.766 5.639 1.00 0.00 N ATOM 729 CA GLU A 46 -12.035 1.854 6.002 1.00 0.00 C ATOM 730 C GLU A 46 -11.379 3.210 5.737 1.00 0.00 C ATOM 731 O GLU A 46 -10.238 3.440 6.085 1.00 0.00 O ATOM 732 CB GLU A 46 -12.404 1.742 7.483 1.00 0.00 C ATOM 733 CG GLU A 46 -11.130 1.660 8.324 1.00 0.00 C ATOM 734 CD GLU A 46 -11.406 2.215 9.723 1.00 0.00 C ATOM 735 OE1 GLU A 46 -12.441 2.836 9.898 1.00 0.00 O ATOM 736 OE2 GLU A 46 -10.578 2.009 10.595 1.00 0.00 O ATOM 0 H GLU A 46 -10.413 0.515 6.365 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.939 1.763 5.399 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.997 2.604 7.787 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.019 0.858 7.649 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.792 0.626 8.391 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.330 2.227 7.848 1.00 0.00 H new ATOM 743 N TYR A 47 -12.093 4.107 5.118 1.00 0.00 N ATOM 744 CA TYR A 47 -11.522 5.451 4.816 1.00 0.00 C ATOM 745 C TYR A 47 -12.301 6.510 5.609 1.00 0.00 C ATOM 746 O TYR A 47 -13.336 6.203 6.167 1.00 0.00 O ATOM 747 CB TYR A 47 -11.650 5.696 3.308 1.00 0.00 C ATOM 748 CG TYR A 47 -10.703 4.781 2.553 1.00 0.00 C ATOM 749 CD1 TYR A 47 -9.667 4.109 3.221 1.00 0.00 C ATOM 750 CD2 TYR A 47 -10.864 4.603 1.177 1.00 0.00 C ATOM 751 CE1 TYR A 47 -8.804 3.269 2.511 1.00 0.00 C ATOM 752 CE2 TYR A 47 -10.002 3.759 0.473 1.00 0.00 C ATOM 753 CZ TYR A 47 -8.973 3.094 1.138 1.00 0.00 C ATOM 754 OH TYR A 47 -8.125 2.261 0.441 1.00 0.00 O ATOM 0 H TYR A 47 -13.054 3.967 4.806 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.472 5.507 5.101 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -12.676 5.516 2.987 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.423 6.737 3.079 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.537 4.241 4.285 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.657 5.119 0.656 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.006 2.755 3.026 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.133 3.621 -0.590 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.209 2.604 0.499 1.00 0.00 H new ATOM 764 N PRO A 48 -11.794 7.727 5.661 1.00 0.00 N ATOM 765 CA PRO A 48 -10.534 8.141 4.994 1.00 0.00 C ATOM 766 C PRO A 48 -9.326 7.364 5.519 1.00 0.00 C ATOM 767 O PRO A 48 -9.138 7.207 6.709 1.00 0.00 O ATOM 768 CB PRO A 48 -10.382 9.630 5.336 1.00 0.00 C ATOM 769 CG PRO A 48 -11.586 10.041 6.217 1.00 0.00 C ATOM 770 CD PRO A 48 -12.469 8.800 6.411 1.00 0.00 C ATOM 0 HA PRO A 48 -10.576 7.948 3.922 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.445 9.806 5.864 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.353 10.229 4.426 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.243 10.421 7.180 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.152 10.842 5.741 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.563 8.544 7.466 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.477 8.971 6.033 1.00 0.00 H new ATOM 778 N LEU A 49 -8.498 6.886 4.627 1.00 0.00 N ATOM 779 CA LEU A 49 -7.289 6.128 5.052 1.00 0.00 C ATOM 780 C LEU A 49 -6.062 7.007 4.842 1.00 0.00 C ATOM 781 O LEU A 49 -6.035 7.858 3.976 1.00 0.00 O ATOM 782 CB LEU A 49 -7.157 4.860 4.187 1.00 0.00 C ATOM 783 CG LEU A 49 -5.686 4.431 4.049 1.00 0.00 C ATOM 784 CD1 LEU A 49 -5.171 3.886 5.383 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.565 3.348 2.974 1.00 0.00 C ATOM 0 H LEU A 49 -8.610 6.990 3.618 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.373 5.848 6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.734 4.050 4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.579 5.045 3.199 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.089 5.297 3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.129 3.585 5.275 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.248 4.660 6.146 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.769 3.024 5.679 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.522 3.046 2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.168 2.485 3.257 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.918 3.741 2.021 1.00 0.00 H new ATOM 797 N VAL A 50 -5.027 6.775 5.591 1.00 0.00 N ATOM 798 CA VAL A 50 -3.792 7.565 5.384 1.00 0.00 C ATOM 799 C VAL A 50 -2.721 6.605 4.864 1.00 0.00 C ATOM 800 O VAL A 50 -2.552 5.517 5.368 1.00 0.00 O ATOM 801 CB VAL A 50 -3.347 8.229 6.710 1.00 0.00 C ATOM 802 CG1 VAL A 50 -1.920 7.807 7.099 1.00 0.00 C ATOM 803 CG2 VAL A 50 -3.382 9.749 6.548 1.00 0.00 C ATOM 0 H VAL A 50 -4.983 6.077 6.333 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.960 8.367 4.665 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.031 7.907 7.496 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.640 8.291 8.034 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.882 6.725 7.225 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.226 8.105 6.314 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.069 10.221 7.479 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.706 10.045 5.746 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.396 10.066 6.303 1.00 0.00 H new ATOM 813 N LEU A 51 -1.978 7.006 3.887 1.00 0.00 N ATOM 814 CA LEU A 51 -0.903 6.127 3.378 1.00 0.00 C ATOM 815 C LEU A 51 0.395 6.902 3.508 1.00 0.00 C ATOM 816 O LEU A 51 0.847 7.553 2.584 1.00 0.00 O ATOM 817 CB LEU A 51 -1.140 5.730 1.916 1.00 0.00 C ATOM 818 CG LEU A 51 -0.048 4.744 1.491 1.00 0.00 C ATOM 819 CD1 LEU A 51 -0.299 3.397 2.162 1.00 0.00 C ATOM 820 CD2 LEU A 51 -0.075 4.542 -0.022 1.00 0.00 C ATOM 0 H LEU A 51 -2.067 7.906 3.416 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.875 5.200 3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.124 5.275 1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.121 6.613 1.277 1.00 0.00 H new ATOM 0 HG LEU A 51 0.921 5.146 1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.476 2.691 1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.279 3.520 3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.274 3.015 1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.707 3.839 -0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.046 4.146 -0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.095 5.497 -0.520 1.00 0.00 H new ATOM 832 N GLU A 52 0.984 6.849 4.666 1.00 0.00 N ATOM 833 CA GLU A 52 2.246 7.585 4.897 1.00 0.00 C ATOM 834 C GLU A 52 3.375 6.790 4.259 1.00 0.00 C ATOM 835 O GLU A 52 4.086 6.051 4.913 1.00 0.00 O ATOM 836 CB GLU A 52 2.465 7.723 6.404 1.00 0.00 C ATOM 837 CG GLU A 52 3.895 8.191 6.677 1.00 0.00 C ATOM 838 CD GLU A 52 3.871 9.345 7.681 1.00 0.00 C ATOM 839 OE1 GLU A 52 2.825 9.955 7.828 1.00 0.00 O ATOM 840 OE2 GLU A 52 4.900 9.599 8.286 1.00 0.00 O ATOM 0 H GLU A 52 0.639 6.321 5.468 1.00 0.00 H new ATOM 0 HA GLU A 52 2.211 8.582 4.458 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.753 8.436 6.821 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.285 6.767 6.896 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.490 7.366 7.069 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.367 8.512 5.749 1.00 0.00 H new ATOM 847 N TRP A 53 3.525 6.922 2.971 1.00 0.00 N ATOM 848 CA TRP A 53 4.582 6.165 2.262 1.00 0.00 C ATOM 849 C TRP A 53 5.928 6.868 2.437 1.00 0.00 C ATOM 850 O TRP A 53 6.230 7.833 1.762 1.00 0.00 O ATOM 851 CB TRP A 53 4.224 6.074 0.777 1.00 0.00 C ATOM 852 CG TRP A 53 4.879 4.866 0.204 1.00 0.00 C ATOM 853 CD1 TRP A 53 6.195 4.589 0.322 1.00 0.00 C ATOM 854 CD2 TRP A 53 4.291 3.767 -0.561 1.00 0.00 C ATOM 855 NE1 TRP A 53 6.460 3.398 -0.316 1.00 0.00 N ATOM 856 CE2 TRP A 53 5.322 2.851 -0.874 1.00 0.00 C ATOM 857 CE3 TRP A 53 2.981 3.472 -1.011 1.00 0.00 C ATOM 858 CZ2 TRP A 53 5.076 1.692 -1.598 1.00 0.00 C ATOM 859 CZ3 TRP A 53 2.734 2.294 -1.752 1.00 0.00 C ATOM 860 CH2 TRP A 53 3.782 1.411 -2.041 1.00 0.00 C ATOM 0 H TRP A 53 2.955 7.527 2.379 1.00 0.00 H new ATOM 0 HA TRP A 53 4.656 5.160 2.678 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.143 6.014 0.651 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.556 6.970 0.252 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.922 5.202 0.834 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.385 2.972 -0.370 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.169 4.148 -0.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.884 1.010 -1.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.734 2.074 -2.096 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.589 0.512 -2.607 1.00 0.00 H new ATOM 871 N ARG A 54 6.741 6.390 3.340 1.00 0.00 N ATOM 872 CA ARG A 54 8.070 7.025 3.564 1.00 0.00 C ATOM 873 C ARG A 54 9.103 6.368 2.649 1.00 0.00 C ATOM 874 O ARG A 54 8.947 5.235 2.236 1.00 0.00 O ATOM 875 CB ARG A 54 8.486 6.834 5.025 1.00 0.00 C ATOM 876 CG ARG A 54 9.087 8.134 5.561 1.00 0.00 C ATOM 877 CD ARG A 54 8.344 8.555 6.830 1.00 0.00 C ATOM 878 NE ARG A 54 9.331 8.930 7.882 1.00 0.00 N ATOM 879 CZ ARG A 54 8.944 9.595 8.938 1.00 0.00 C ATOM 880 NH1 ARG A 54 7.705 9.996 9.045 1.00 0.00 N ATOM 881 NH2 ARG A 54 9.798 9.861 9.889 1.00 0.00 N ATOM 0 H ARG A 54 6.541 5.585 3.933 1.00 0.00 H new ATOM 0 HA ARG A 54 8.010 8.090 3.341 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.623 6.546 5.625 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.213 6.026 5.104 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.147 7.996 5.776 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.015 8.918 4.807 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.686 9.397 6.617 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.713 7.739 7.182 1.00 0.00 H new ATOM 0 HE ARG A 54 10.311 8.667 7.777 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.036 9.790 8.303 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.406 10.515 9.871 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.766 9.550 9.807 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.497 10.380 10.714 1.00 0.00 H new ATOM 895 N GLN A 55 10.157 7.066 2.324 1.00 0.00 N ATOM 896 CA GLN A 55 11.192 6.473 1.431 1.00 0.00 C ATOM 897 C GLN A 55 10.499 5.771 0.262 1.00 0.00 C ATOM 898 O GLN A 55 10.298 4.573 0.278 1.00 0.00 O ATOM 899 CB GLN A 55 12.023 5.457 2.217 1.00 0.00 C ATOM 900 CG GLN A 55 12.464 6.075 3.545 1.00 0.00 C ATOM 901 CD GLN A 55 13.910 6.561 3.427 1.00 0.00 C ATOM 902 OE1 GLN A 55 14.823 5.767 3.316 1.00 0.00 O ATOM 903 NE2 GLN A 55 14.158 7.842 3.445 1.00 0.00 N ATOM 0 H GLN A 55 10.346 8.018 2.637 1.00 0.00 H new ATOM 0 HA GLN A 55 11.847 7.258 1.053 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.437 4.556 2.400 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.895 5.158 1.636 1.00 0.00 H new ATOM 0 HG2 GLN A 55 11.810 6.907 3.806 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.380 5.340 4.346 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.392 8.509 3.538 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.118 8.177 3.366 1.00 0.00 H new ATOM 912 N PHE A 56 10.124 6.507 -0.748 1.00 0.00 N ATOM 913 CA PHE A 56 9.435 5.875 -1.907 1.00 0.00 C ATOM 914 C PHE A 56 10.471 5.263 -2.856 1.00 0.00 C ATOM 915 O PHE A 56 10.773 4.101 -2.756 1.00 0.00 O ATOM 916 CB PHE A 56 8.594 6.926 -2.637 1.00 0.00 C ATOM 917 CG PHE A 56 7.782 6.269 -3.731 1.00 0.00 C ATOM 918 CD1 PHE A 56 6.630 5.540 -3.406 1.00 0.00 C ATOM 919 CD2 PHE A 56 8.175 6.394 -5.069 1.00 0.00 C ATOM 920 CE1 PHE A 56 5.872 4.936 -4.418 1.00 0.00 C ATOM 921 CE2 PHE A 56 7.417 5.790 -6.082 1.00 0.00 C ATOM 922 CZ PHE A 56 6.266 5.061 -5.757 1.00 0.00 C ATOM 0 H PHE A 56 10.264 7.515 -0.820 1.00 0.00 H new ATOM 0 HA PHE A 56 8.777 5.081 -1.553 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.931 7.427 -1.932 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.243 7.691 -3.064 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.326 5.444 -2.374 1.00 0.00 H new ATOM 0 HD2 PHE A 56 9.062 6.956 -5.321 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.985 4.374 -4.166 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.721 5.887 -7.114 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.683 4.596 -6.538 1.00 0.00 H new ATOM 932 N GLU A 57 11.007 6.028 -3.775 1.00 0.00 N ATOM 933 CA GLU A 57 12.015 5.475 -4.741 1.00 0.00 C ATOM 934 C GLU A 57 12.862 4.374 -4.094 1.00 0.00 C ATOM 935 O GLU A 57 13.159 3.371 -4.711 1.00 0.00 O ATOM 936 CB GLU A 57 12.940 6.592 -5.219 1.00 0.00 C ATOM 937 CG GLU A 57 13.096 7.642 -4.116 1.00 0.00 C ATOM 938 CD GLU A 57 14.305 8.527 -4.422 1.00 0.00 C ATOM 939 OE1 GLU A 57 14.376 9.039 -5.527 1.00 0.00 O ATOM 940 OE2 GLU A 57 15.140 8.679 -3.546 1.00 0.00 O ATOM 0 H GLU A 57 10.790 7.017 -3.900 1.00 0.00 H new ATOM 0 HA GLU A 57 11.470 5.048 -5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.914 6.182 -5.484 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.533 7.054 -6.119 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.194 8.251 -4.048 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.224 7.154 -3.150 1.00 0.00 H new ATOM 947 N GLN A 58 13.258 4.546 -2.864 1.00 0.00 N ATOM 948 CA GLN A 58 14.076 3.501 -2.200 1.00 0.00 C ATOM 949 C GLN A 58 13.267 2.206 -2.156 1.00 0.00 C ATOM 950 O GLN A 58 13.712 1.164 -2.596 1.00 0.00 O ATOM 951 CB GLN A 58 14.424 3.946 -0.778 1.00 0.00 C ATOM 952 CG GLN A 58 15.442 5.087 -0.836 1.00 0.00 C ATOM 953 CD GLN A 58 16.291 5.082 0.436 1.00 0.00 C ATOM 954 OE1 GLN A 58 16.007 4.354 1.367 1.00 0.00 O ATOM 955 NE2 GLN A 58 17.329 5.869 0.516 1.00 0.00 N ATOM 0 H GLN A 58 13.050 5.365 -2.293 1.00 0.00 H new ATOM 0 HA GLN A 58 15.001 3.341 -2.754 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.524 4.273 -0.257 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.832 3.108 -0.213 1.00 0.00 H new ATOM 0 HG2 GLN A 58 16.081 4.974 -1.712 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.927 6.042 -0.938 1.00 0.00 H new ATOM 0 HE21 GLN A 58 17.567 6.480 -0.265 1.00 0.00 H new ATOM 0 HE22 GLN A 58 17.902 5.873 1.360 1.00 0.00 H new ATOM 964 N SER A 59 12.073 2.272 -1.633 1.00 0.00 N ATOM 965 CA SER A 59 11.210 1.060 -1.560 1.00 0.00 C ATOM 966 C SER A 59 10.836 0.585 -2.974 1.00 0.00 C ATOM 967 O SER A 59 10.183 -0.426 -3.140 1.00 0.00 O ATOM 968 CB SER A 59 9.936 1.393 -0.784 1.00 0.00 C ATOM 969 OG SER A 59 10.285 1.990 0.459 1.00 0.00 O ATOM 0 H SER A 59 11.656 3.121 -1.250 1.00 0.00 H new ATOM 0 HA SER A 59 11.757 0.265 -1.053 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.310 2.072 -1.364 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.353 0.488 -0.615 1.00 0.00 H new ATOM 0 HG SER A 59 10.057 2.943 0.440 1.00 0.00 H new ATOM 975 N LYS A 60 11.235 1.295 -4.000 1.00 0.00 N ATOM 976 CA LYS A 60 10.891 0.841 -5.378 1.00 0.00 C ATOM 977 C LYS A 60 12.046 -0.003 -5.920 1.00 0.00 C ATOM 978 O LYS A 60 11.883 -0.788 -6.833 1.00 0.00 O ATOM 979 CB LYS A 60 10.683 2.046 -6.300 1.00 0.00 C ATOM 980 CG LYS A 60 10.064 3.201 -5.516 1.00 0.00 C ATOM 981 CD LYS A 60 8.651 2.821 -5.071 1.00 0.00 C ATOM 982 CE LYS A 60 8.686 2.266 -3.645 1.00 0.00 C ATOM 983 NZ LYS A 60 7.557 2.843 -2.861 1.00 0.00 N ATOM 0 H LYS A 60 11.777 2.157 -3.943 1.00 0.00 H new ATOM 0 HA LYS A 60 9.971 0.257 -5.343 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.636 2.356 -6.728 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.034 1.771 -7.132 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.679 3.435 -4.647 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.032 4.098 -6.135 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.999 3.694 -5.115 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.234 2.077 -5.750 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.612 1.179 -3.664 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.636 2.512 -3.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.933 3.368 -2.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.009 3.488 -3.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.941 2.076 -2.524 1.00 0.00 H new ATOM 997 N GLN A 61 13.221 0.174 -5.375 1.00 0.00 N ATOM 998 CA GLN A 61 14.398 -0.589 -5.864 1.00 0.00 C ATOM 999 C GLN A 61 14.412 -2.014 -5.297 1.00 0.00 C ATOM 1000 O GLN A 61 14.457 -2.978 -6.035 1.00 0.00 O ATOM 1001 CB GLN A 61 15.678 0.134 -5.440 1.00 0.00 C ATOM 1002 CG GLN A 61 15.805 1.446 -6.217 1.00 0.00 C ATOM 1003 CD GLN A 61 16.573 1.199 -7.516 1.00 0.00 C ATOM 1004 OE1 GLN A 61 16.059 0.592 -8.434 1.00 0.00 O ATOM 1005 NE2 GLN A 61 17.793 1.648 -7.634 1.00 0.00 N ATOM 0 H GLN A 61 13.413 0.819 -4.608 1.00 0.00 H new ATOM 0 HA GLN A 61 14.339 -0.653 -6.951 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.657 0.334 -4.369 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.545 -0.499 -5.629 1.00 0.00 H new ATOM 0 HG2 GLN A 61 14.816 1.847 -6.438 1.00 0.00 H new ATOM 0 HG3 GLN A 61 16.323 2.190 -5.612 1.00 0.00 H new ATOM 0 HE21 GLN A 61 18.226 2.158 -6.864 1.00 0.00 H new ATOM 0 HE22 GLN A 61 18.314 1.489 -8.497 1.00 0.00 H new ATOM 1014 N LEU A 62 14.412 -2.147 -3.996 1.00 0.00 N ATOM 1015 CA LEU A 62 14.464 -3.514 -3.369 1.00 0.00 C ATOM 1016 C LEU A 62 13.613 -4.481 -4.191 1.00 0.00 C ATOM 1017 O LEU A 62 13.944 -5.640 -4.345 1.00 0.00 O ATOM 1018 CB LEU A 62 13.919 -3.508 -1.928 1.00 0.00 C ATOM 1019 CG LEU A 62 13.398 -2.129 -1.534 1.00 0.00 C ATOM 1020 CD1 LEU A 62 12.173 -1.803 -2.387 1.00 0.00 C ATOM 1021 CD2 LEU A 62 12.998 -2.142 -0.058 1.00 0.00 C ATOM 0 H LEU A 62 14.378 -1.371 -3.335 1.00 0.00 H new ATOM 0 HA LEU A 62 15.509 -3.823 -3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.117 -4.241 -1.838 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.707 -3.811 -1.238 1.00 0.00 H new ATOM 0 HG LEU A 62 14.173 -1.379 -1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.791 -0.819 -2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.452 -1.805 -3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.400 -2.552 -2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.625 -1.158 0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.217 -2.886 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.866 -2.392 0.552 1.00 0.00 H new ATOM 1033 N THR A 63 12.519 -4.012 -4.720 1.00 0.00 N ATOM 1034 CA THR A 63 11.643 -4.897 -5.532 1.00 0.00 C ATOM 1035 C THR A 63 11.279 -4.172 -6.833 1.00 0.00 C ATOM 1036 O THR A 63 10.135 -3.867 -7.079 1.00 0.00 O ATOM 1037 CB THR A 63 10.377 -5.260 -4.727 1.00 0.00 C ATOM 1038 OG1 THR A 63 9.257 -5.345 -5.596 1.00 0.00 O ATOM 1039 CG2 THR A 63 10.108 -4.203 -3.646 1.00 0.00 C ATOM 0 H THR A 63 12.193 -3.050 -4.624 1.00 0.00 H new ATOM 0 HA THR A 63 12.164 -5.823 -5.776 1.00 0.00 H new ATOM 0 HB THR A 63 10.538 -6.225 -4.247 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.562 -5.315 -6.527 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.212 -4.474 -3.087 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.958 -4.153 -2.966 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.962 -3.231 -4.116 1.00 0.00 H new ATOM 1047 N GLU A 64 12.278 -3.900 -7.650 1.00 0.00 N ATOM 1048 CA GLU A 64 12.088 -3.188 -8.966 1.00 0.00 C ATOM 1049 C GLU A 64 10.616 -2.869 -9.243 1.00 0.00 C ATOM 1050 O GLU A 64 9.791 -3.753 -9.366 1.00 0.00 O ATOM 1051 CB GLU A 64 12.627 -4.073 -10.092 1.00 0.00 C ATOM 1052 CG GLU A 64 13.320 -3.200 -11.140 1.00 0.00 C ATOM 1053 CD GLU A 64 14.096 -4.089 -12.114 1.00 0.00 C ATOM 1054 OE1 GLU A 64 14.252 -5.262 -11.818 1.00 0.00 O ATOM 1055 OE2 GLU A 64 14.522 -3.581 -13.138 1.00 0.00 O ATOM 0 H GLU A 64 13.247 -4.150 -7.453 1.00 0.00 H new ATOM 0 HA GLU A 64 12.630 -2.243 -8.916 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.329 -4.804 -9.690 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.812 -4.633 -10.551 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.582 -2.608 -11.681 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.997 -2.498 -10.654 1.00 0.00 H new ATOM 1062 N ASN A 65 10.282 -1.610 -9.349 1.00 0.00 N ATOM 1063 CA ASN A 65 8.864 -1.235 -9.620 1.00 0.00 C ATOM 1064 C ASN A 65 7.949 -2.076 -8.732 1.00 0.00 C ATOM 1065 O ASN A 65 6.887 -2.503 -9.138 1.00 0.00 O ATOM 1066 CB ASN A 65 8.538 -1.500 -11.092 1.00 0.00 C ATOM 1067 CG ASN A 65 9.597 -0.839 -11.977 1.00 0.00 C ATOM 1068 OD1 ASN A 65 10.308 0.146 -11.501 1.00 0.00 O flip ATOM 1069 ND2 ASN A 65 9.779 -1.224 -13.115 1.00 0.00 N flip ATOM 0 H ASN A 65 10.929 -0.827 -9.260 1.00 0.00 H new ATOM 0 HA ASN A 65 8.714 -0.177 -9.405 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.509 -2.573 -11.281 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.550 -1.107 -11.333 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.224 -1.994 -13.488 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.487 -0.777 -13.697 1.00 0.00 H new ATOM 1076 N GLY A 66 8.366 -2.325 -7.523 1.00 0.00 N ATOM 1077 CA GLY A 66 7.543 -3.149 -6.596 1.00 0.00 C ATOM 1078 C GLY A 66 6.363 -2.328 -6.074 1.00 0.00 C ATOM 1079 O GLY A 66 5.232 -2.773 -6.074 1.00 0.00 O ATOM 0 H GLY A 66 9.248 -1.991 -7.135 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.179 -4.037 -7.112 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.154 -3.493 -5.762 1.00 0.00 H new ATOM 1083 N ALA A 67 6.628 -1.146 -5.601 1.00 0.00 N ATOM 1084 CA ALA A 67 5.551 -0.294 -5.041 1.00 0.00 C ATOM 1085 C ALA A 67 4.766 0.431 -6.135 1.00 0.00 C ATOM 1086 O ALA A 67 3.559 0.513 -6.075 1.00 0.00 O ATOM 1087 CB ALA A 67 6.184 0.751 -4.143 1.00 0.00 C ATOM 0 H ALA A 67 7.559 -0.729 -5.579 1.00 0.00 H new ATOM 0 HA ALA A 67 4.862 -0.937 -4.494 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.406 1.388 -3.722 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.726 0.257 -3.336 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.876 1.360 -4.725 1.00 0.00 H new ATOM 1093 N GLU A 68 5.452 0.995 -7.096 1.00 0.00 N ATOM 1094 CA GLU A 68 4.775 1.765 -8.186 1.00 0.00 C ATOM 1095 C GLU A 68 3.381 1.201 -8.473 1.00 0.00 C ATOM 1096 O GLU A 68 2.465 1.925 -8.809 1.00 0.00 O ATOM 1097 CB GLU A 68 5.621 1.678 -9.453 1.00 0.00 C ATOM 1098 CG GLU A 68 6.062 3.080 -9.853 1.00 0.00 C ATOM 1099 CD GLU A 68 4.979 3.736 -10.710 1.00 0.00 C ATOM 1100 OE1 GLU A 68 3.812 3.509 -10.432 1.00 0.00 O ATOM 1101 OE2 GLU A 68 5.333 4.455 -11.630 1.00 0.00 O ATOM 0 H GLU A 68 6.468 0.954 -7.174 1.00 0.00 H new ATOM 0 HA GLU A 68 4.669 2.802 -7.867 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.491 1.044 -9.282 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.047 1.220 -10.258 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.249 3.681 -8.963 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.999 3.033 -10.408 1.00 0.00 H new ATOM 1108 N SER A 69 3.219 -0.082 -8.350 1.00 0.00 N ATOM 1109 CA SER A 69 1.890 -0.699 -8.621 1.00 0.00 C ATOM 1110 C SER A 69 0.947 -0.510 -7.418 1.00 0.00 C ATOM 1111 O SER A 69 -0.182 -0.074 -7.565 1.00 0.00 O ATOM 1112 CB SER A 69 2.088 -2.190 -8.889 1.00 0.00 C ATOM 1113 OG SER A 69 2.923 -2.356 -10.029 1.00 0.00 O ATOM 0 H SER A 69 3.951 -0.736 -8.072 1.00 0.00 H new ATOM 0 HA SER A 69 1.440 -0.216 -9.488 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.539 -2.671 -8.021 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.125 -2.672 -9.056 1.00 0.00 H new ATOM 0 HG SER A 69 3.053 -3.312 -10.203 1.00 0.00 H new ATOM 1119 N VAL A 70 1.391 -0.829 -6.228 1.00 0.00 N ATOM 1120 CA VAL A 70 0.512 -0.667 -5.042 1.00 0.00 C ATOM 1121 C VAL A 70 0.110 0.793 -4.928 1.00 0.00 C ATOM 1122 O VAL A 70 -1.053 1.122 -4.835 1.00 0.00 O ATOM 1123 CB VAL A 70 1.265 -1.089 -3.782 1.00 0.00 C ATOM 1124 CG1 VAL A 70 0.405 -0.789 -2.557 1.00 0.00 C ATOM 1125 CG2 VAL A 70 1.561 -2.589 -3.844 1.00 0.00 C ATOM 0 H VAL A 70 2.323 -1.194 -6.032 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.375 -1.290 -5.152 1.00 0.00 H new ATOM 0 HB VAL A 70 2.203 -0.538 -3.714 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.939 -1.089 -1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.192 0.279 -2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.531 -1.343 -2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.098 -2.891 -2.945 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.624 -3.142 -3.910 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.172 -2.803 -4.721 1.00 0.00 H new ATOM 1135 N LEU A 71 1.066 1.673 -4.949 1.00 0.00 N ATOM 1136 CA LEU A 71 0.739 3.116 -4.859 1.00 0.00 C ATOM 1137 C LEU A 71 -0.238 3.459 -5.975 1.00 0.00 C ATOM 1138 O LEU A 71 -1.206 4.149 -5.768 1.00 0.00 O ATOM 1139 CB LEU A 71 2.004 3.944 -5.037 1.00 0.00 C ATOM 1140 CG LEU A 71 1.634 5.426 -5.093 1.00 0.00 C ATOM 1141 CD1 LEU A 71 1.289 5.921 -3.687 1.00 0.00 C ATOM 1142 CD2 LEU A 71 2.817 6.227 -5.639 1.00 0.00 C ATOM 0 H LEU A 71 2.059 1.455 -5.025 1.00 0.00 H new ATOM 0 HA LEU A 71 0.301 3.334 -3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.692 3.760 -4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.518 3.651 -5.952 1.00 0.00 H new ATOM 0 HG LEU A 71 0.772 5.559 -5.746 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.025 6.978 -3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.445 5.351 -3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.150 5.787 -3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.553 7.284 -5.679 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.680 6.093 -4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.062 5.876 -6.641 1.00 0.00 H new ATOM 1154 N GLN A 72 0.008 2.974 -7.160 1.00 0.00 N ATOM 1155 CA GLN A 72 -0.918 3.270 -8.286 1.00 0.00 C ATOM 1156 C GLN A 72 -2.322 2.829 -7.889 1.00 0.00 C ATOM 1157 O GLN A 72 -3.302 3.436 -8.262 1.00 0.00 O ATOM 1158 CB GLN A 72 -0.474 2.509 -9.537 1.00 0.00 C ATOM 1159 CG GLN A 72 -0.194 3.501 -10.667 1.00 0.00 C ATOM 1160 CD GLN A 72 -0.677 2.913 -11.993 1.00 0.00 C ATOM 1161 OE1 GLN A 72 0.019 2.975 -12.987 1.00 0.00 O ATOM 1162 NE2 GLN A 72 -1.847 2.339 -12.052 1.00 0.00 N ATOM 0 H GLN A 72 0.808 2.387 -7.396 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.909 4.338 -8.503 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.421 1.925 -9.322 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.248 1.805 -9.841 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.701 4.446 -10.470 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.873 3.717 -10.720 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.432 2.286 -11.218 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -2.177 1.943 -12.932 1.00 0.00 H new ATOM 1171 N VAL A 73 -2.424 1.775 -7.132 1.00 0.00 N ATOM 1172 CA VAL A 73 -3.759 1.297 -6.698 1.00 0.00 C ATOM 1173 C VAL A 73 -4.282 2.207 -5.579 1.00 0.00 C ATOM 1174 O VAL A 73 -5.470 2.385 -5.422 1.00 0.00 O ATOM 1175 CB VAL A 73 -3.637 -0.137 -6.173 1.00 0.00 C ATOM 1176 CG1 VAL A 73 -4.893 -0.521 -5.386 1.00 0.00 C ATOM 1177 CG2 VAL A 73 -3.436 -1.106 -7.347 1.00 0.00 C ATOM 0 H VAL A 73 -1.635 1.223 -6.795 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.450 1.319 -7.541 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.775 -0.198 -5.508 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.794 -1.542 -5.018 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.016 0.158 -4.542 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.765 -0.453 -6.036 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.350 -2.124 -6.968 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.289 -1.041 -8.022 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.526 -0.841 -7.886 1.00 0.00 H new ATOM 1187 N PHE A 74 -3.409 2.769 -4.787 1.00 0.00 N ATOM 1188 CA PHE A 74 -3.880 3.649 -3.676 1.00 0.00 C ATOM 1189 C PHE A 74 -4.366 4.993 -4.236 1.00 0.00 C ATOM 1190 O PHE A 74 -5.325 5.568 -3.758 1.00 0.00 O ATOM 1191 CB PHE A 74 -2.733 3.878 -2.687 1.00 0.00 C ATOM 1192 CG PHE A 74 -2.791 2.823 -1.612 1.00 0.00 C ATOM 1193 CD1 PHE A 74 -3.686 2.961 -0.546 1.00 0.00 C ATOM 1194 CD2 PHE A 74 -1.959 1.700 -1.687 1.00 0.00 C ATOM 1195 CE1 PHE A 74 -3.749 1.977 0.446 1.00 0.00 C ATOM 1196 CE2 PHE A 74 -2.020 0.716 -0.693 1.00 0.00 C ATOM 1197 CZ PHE A 74 -2.916 0.855 0.374 1.00 0.00 C ATOM 0 H PHE A 74 -2.398 2.659 -4.859 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.710 3.165 -3.162 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.775 3.834 -3.205 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.811 4.871 -2.244 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.328 3.827 -0.489 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.270 1.593 -2.512 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.441 2.083 1.268 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.377 -0.150 -0.749 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.964 0.096 1.141 1.00 0.00 H new ATOM 1207 N ARG A 75 -3.722 5.489 -5.254 1.00 0.00 N ATOM 1208 CA ARG A 75 -4.140 6.776 -5.858 1.00 0.00 C ATOM 1209 C ARG A 75 -5.328 6.512 -6.765 1.00 0.00 C ATOM 1210 O ARG A 75 -6.281 7.254 -6.791 1.00 0.00 O ATOM 1211 CB ARG A 75 -2.995 7.336 -6.687 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.397 8.561 -5.993 1.00 0.00 C ATOM 1213 CD ARG A 75 -1.590 9.374 -7.008 1.00 0.00 C ATOM 1214 NE ARG A 75 -1.119 10.641 -6.378 1.00 0.00 N ATOM 1215 CZ ARG A 75 -1.880 11.275 -5.527 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -3.161 11.380 -5.752 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -1.360 11.803 -4.454 1.00 0.00 N ATOM 0 H ARG A 75 -2.915 5.050 -5.696 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.407 7.490 -5.079 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.227 6.574 -6.823 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.353 7.609 -7.680 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.190 9.175 -5.566 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.757 8.249 -5.168 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.737 8.792 -7.359 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.204 9.597 -7.880 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.199 11.014 -6.613 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.567 10.967 -6.592 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.757 11.875 -5.088 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.358 11.721 -4.279 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.955 12.298 -3.790 1.00 0.00 H new ATOM 1231 N GLU A 76 -5.268 5.436 -7.496 1.00 0.00 N ATOM 1232 CA GLU A 76 -6.383 5.064 -8.395 1.00 0.00 C ATOM 1233 C GLU A 76 -7.632 4.907 -7.537 1.00 0.00 C ATOM 1234 O GLU A 76 -8.680 5.445 -7.832 1.00 0.00 O ATOM 1235 CB GLU A 76 -6.019 3.734 -9.039 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.179 3.940 -10.309 1.00 0.00 C ATOM 1237 CD GLU A 76 -4.442 5.286 -10.272 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -3.575 5.441 -9.429 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -4.761 6.135 -11.088 1.00 0.00 O ATOM 0 H GLU A 76 -4.478 4.791 -7.506 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.561 5.813 -9.167 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.463 3.123 -8.328 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.928 3.186 -9.287 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.457 3.129 -10.407 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.825 3.899 -11.186 1.00 0.00 H new ATOM 1246 N ALA A 77 -7.508 4.196 -6.448 1.00 0.00 N ATOM 1247 CA ALA A 77 -8.657 4.033 -5.537 1.00 0.00 C ATOM 1248 C ALA A 77 -8.987 5.420 -5.009 1.00 0.00 C ATOM 1249 O ALA A 77 -10.134 5.800 -4.887 1.00 0.00 O ATOM 1250 CB ALA A 77 -8.290 3.101 -4.378 1.00 0.00 C ATOM 0 H ALA A 77 -6.653 3.722 -6.157 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.509 3.592 -6.054 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.148 2.990 -3.714 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.008 2.125 -4.772 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.453 3.524 -3.822 1.00 0.00 H new ATOM 1256 N LYS A 78 -7.976 6.205 -4.737 1.00 0.00 N ATOM 1257 CA LYS A 78 -8.231 7.589 -4.273 1.00 0.00 C ATOM 1258 C LYS A 78 -9.091 8.263 -5.332 1.00 0.00 C ATOM 1259 O LYS A 78 -9.893 9.136 -5.062 1.00 0.00 O ATOM 1260 CB LYS A 78 -6.905 8.329 -4.184 1.00 0.00 C ATOM 1261 CG LYS A 78 -6.883 9.214 -2.936 1.00 0.00 C ATOM 1262 CD LYS A 78 -6.509 10.644 -3.331 1.00 0.00 C ATOM 1263 CE LYS A 78 -7.719 11.561 -3.138 1.00 0.00 C ATOM 1264 NZ LYS A 78 -7.595 12.277 -1.836 1.00 0.00 N ATOM 0 H LYS A 78 -6.993 5.944 -4.817 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.721 7.594 -3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.082 7.615 -4.148 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.759 8.939 -5.075 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.860 9.203 -2.452 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.165 8.825 -2.214 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.674 10.994 -2.724 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.181 10.671 -4.370 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.779 12.279 -3.956 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.639 10.977 -3.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.417 12.901 -1.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.557 11.584 -1.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.725 12.846 -1.834 1.00 0.00 H new ATOM 1278 N ALA A 79 -8.903 7.841 -6.547 1.00 0.00 N ATOM 1279 CA ALA A 79 -9.658 8.399 -7.686 1.00 0.00 C ATOM 1280 C ALA A 79 -11.086 7.864 -7.647 1.00 0.00 C ATOM 1281 O ALA A 79 -12.036 8.555 -7.958 1.00 0.00 O ATOM 1282 CB ALA A 79 -8.969 7.953 -8.975 1.00 0.00 C ATOM 0 H ALA A 79 -8.237 7.111 -6.800 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.686 9.488 -7.637 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.509 8.353 -9.833 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.944 8.323 -8.986 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.962 6.864 -9.026 1.00 0.00 H new ATOM 1288 N GLU A 80 -11.235 6.631 -7.256 1.00 0.00 N ATOM 1289 CA GLU A 80 -12.583 6.016 -7.174 1.00 0.00 C ATOM 1290 C GLU A 80 -13.508 6.911 -6.347 1.00 0.00 C ATOM 1291 O GLU A 80 -14.716 6.800 -6.407 1.00 0.00 O ATOM 1292 CB GLU A 80 -12.454 4.652 -6.493 1.00 0.00 C ATOM 1293 CG GLU A 80 -12.160 3.583 -7.541 1.00 0.00 C ATOM 1294 CD GLU A 80 -13.337 3.481 -8.514 1.00 0.00 C ATOM 1295 OE1 GLU A 80 -14.275 4.245 -8.361 1.00 0.00 O ATOM 1296 OE2 GLU A 80 -13.280 2.638 -9.394 1.00 0.00 O ATOM 0 H GLU A 80 -10.467 6.016 -6.986 1.00 0.00 H new ATOM 0 HA GLU A 80 -13.000 5.900 -8.174 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.655 4.678 -5.752 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.375 4.411 -5.961 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.248 3.832 -8.083 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.991 2.621 -7.057 1.00 0.00 H new ATOM 1303 N GLY A 81 -12.945 7.783 -5.559 1.00 0.00 N ATOM 1304 CA GLY A 81 -13.776 8.674 -4.705 1.00 0.00 C ATOM 1305 C GLY A 81 -13.438 8.395 -3.241 1.00 0.00 C ATOM 1306 O GLY A 81 -14.025 8.954 -2.335 1.00 0.00 O ATOM 0 H GLY A 81 -11.938 7.917 -5.470 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.582 9.719 -4.946 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.835 8.496 -4.890 1.00 0.00 H new ATOM 1310 N CYS A 82 -12.489 7.526 -3.007 1.00 0.00 N ATOM 1311 CA CYS A 82 -12.096 7.193 -1.615 1.00 0.00 C ATOM 1312 C CYS A 82 -11.224 8.313 -1.048 1.00 0.00 C ATOM 1313 O CYS A 82 -10.670 9.111 -1.778 1.00 0.00 O ATOM 1314 CB CYS A 82 -11.301 5.888 -1.631 1.00 0.00 C ATOM 1315 SG CYS A 82 -12.442 4.483 -1.628 1.00 0.00 S ATOM 0 H CYS A 82 -11.968 7.031 -3.731 1.00 0.00 H new ATOM 0 HA CYS A 82 -12.985 7.082 -0.994 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -10.663 5.850 -2.514 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -10.645 5.839 -0.762 1.00 0.00 H new ATOM 0 HG CYS A 82 -12.220 3.746 -0.580 1.00 0.00 H new ATOM 1321 N ASP A 83 -11.095 8.379 0.247 1.00 0.00 N ATOM 1322 CA ASP A 83 -10.257 9.445 0.857 1.00 0.00 C ATOM 1323 C ASP A 83 -8.964 8.827 1.396 1.00 0.00 C ATOM 1324 O ASP A 83 -8.723 8.797 2.587 1.00 0.00 O ATOM 1325 CB ASP A 83 -11.032 10.104 1.996 1.00 0.00 C ATOM 1326 CG ASP A 83 -10.378 11.439 2.357 1.00 0.00 C ATOM 1327 OD1 ASP A 83 -9.196 11.587 2.095 1.00 0.00 O ATOM 1328 OD2 ASP A 83 -11.071 12.291 2.890 1.00 0.00 O ATOM 0 H ASP A 83 -11.534 7.740 0.909 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.010 10.196 0.107 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.069 10.264 1.699 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.047 9.448 2.866 1.00 0.00 H new ATOM 1333 N ILE A 84 -8.131 8.334 0.521 1.00 0.00 N ATOM 1334 CA ILE A 84 -6.849 7.716 0.962 1.00 0.00 C ATOM 1335 C ILE A 84 -5.725 8.750 0.840 1.00 0.00 C ATOM 1336 O ILE A 84 -5.064 8.841 -0.176 1.00 0.00 O ATOM 1337 CB ILE A 84 -6.533 6.528 0.061 1.00 0.00 C ATOM 1338 CG1 ILE A 84 -7.536 5.415 0.325 1.00 0.00 C ATOM 1339 CG2 ILE A 84 -5.121 6.020 0.347 1.00 0.00 C ATOM 1340 CD1 ILE A 84 -7.978 4.834 -1.011 1.00 0.00 C ATOM 0 H ILE A 84 -8.285 8.333 -0.487 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.935 7.384 1.997 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.596 6.840 -0.982 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -7.086 4.639 0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.395 5.802 0.872 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.902 5.171 -0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.402 6.817 0.156 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.050 5.709 1.389 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.698 4.034 -0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.441 5.616 -1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.112 4.435 -1.539 1.00 0.00 H new ATOM 1352 N THR A 85 -5.504 9.529 1.860 1.00 0.00 N ATOM 1353 CA THR A 85 -4.423 10.555 1.793 1.00 0.00 C ATOM 1354 C THR A 85 -3.133 9.905 1.288 1.00 0.00 C ATOM 1355 O THR A 85 -2.494 9.156 1.992 1.00 0.00 O ATOM 1356 CB THR A 85 -4.188 11.137 3.191 1.00 0.00 C ATOM 1357 OG1 THR A 85 -5.269 11.993 3.532 1.00 0.00 O ATOM 1358 CG2 THR A 85 -2.879 11.931 3.209 1.00 0.00 C ATOM 0 H THR A 85 -6.023 9.501 2.737 1.00 0.00 H new ATOM 0 HA THR A 85 -4.719 11.352 1.111 1.00 0.00 H new ATOM 0 HB THR A 85 -4.123 10.325 3.915 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.122 12.365 4.427 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.717 12.343 4.205 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.050 11.272 2.949 1.00 0.00 H new ATOM 0 HG23 THR A 85 -2.937 12.744 2.485 1.00 0.00 H new ATOM 1366 N ILE A 86 -2.740 10.184 0.078 1.00 0.00 N ATOM 1367 CA ILE A 86 -1.486 9.572 -0.446 1.00 0.00 C ATOM 1368 C ILE A 86 -0.288 10.421 -0.020 1.00 0.00 C ATOM 1369 O ILE A 86 0.011 11.433 -0.622 1.00 0.00 O ATOM 1370 CB ILE A 86 -1.546 9.503 -1.972 1.00 0.00 C ATOM 1371 CG1 ILE A 86 -2.794 8.728 -2.395 1.00 0.00 C ATOM 1372 CG2 ILE A 86 -0.301 8.789 -2.500 1.00 0.00 C ATOM 1373 CD1 ILE A 86 -2.686 7.280 -1.910 1.00 0.00 C ATOM 0 H ILE A 86 -3.228 10.805 -0.568 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.380 8.565 -0.043 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.586 10.513 -2.381 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.685 9.197 -1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.900 8.752 -3.480 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.344 8.740 -3.588 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.590 9.339 -2.196 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.261 7.779 -2.092 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.576 6.728 -2.212 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.804 6.814 -2.349 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.601 7.266 -0.823 1.00 0.00 H new ATOM 1385 N ILE A 87 0.406 10.018 1.011 1.00 0.00 N ATOM 1386 CA ILE A 87 1.584 10.808 1.461 1.00 0.00 C ATOM 1387 C ILE A 87 2.849 10.204 0.847 1.00 0.00 C ATOM 1388 O ILE A 87 3.350 9.191 1.298 1.00 0.00 O ATOM 1389 CB ILE A 87 1.666 10.773 2.991 1.00 0.00 C ATOM 1390 CG1 ILE A 87 0.669 11.775 3.576 1.00 0.00 C ATOM 1391 CG2 ILE A 87 3.078 11.147 3.450 1.00 0.00 C ATOM 1392 CD1 ILE A 87 0.885 11.889 5.086 1.00 0.00 C ATOM 0 H ILE A 87 0.208 9.180 1.557 1.00 0.00 H new ATOM 0 HA ILE A 87 1.487 11.845 1.139 1.00 0.00 H new ATOM 0 HB ILE A 87 1.429 9.767 3.336 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.798 12.749 3.105 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.351 11.453 3.367 1.00 0.00 H new ATOM 0 HG21 ILE A 87 3.126 11.119 4.539 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.795 10.437 3.037 1.00 0.00 H new ATOM 0 HG23 ILE A 87 3.320 12.151 3.102 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.174 12.603 5.502 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.734 10.914 5.550 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.901 12.231 5.283 1.00 0.00 H new ATOM 1404 N LEU A 88 3.358 10.819 -0.186 1.00 0.00 N ATOM 1405 CA LEU A 88 4.582 10.293 -0.850 1.00 0.00 C ATOM 1406 C LEU A 88 5.815 11.031 -0.323 1.00 0.00 C ATOM 1407 O LEU A 88 5.951 12.227 -0.488 1.00 0.00 O ATOM 1408 CB LEU A 88 4.463 10.508 -2.358 1.00 0.00 C ATOM 1409 CG LEU A 88 3.188 9.835 -2.891 1.00 0.00 C ATOM 1410 CD1 LEU A 88 3.431 9.396 -4.327 1.00 0.00 C ATOM 1411 CD2 LEU A 88 2.834 8.598 -2.055 1.00 0.00 C ATOM 0 H LEU A 88 2.975 11.669 -0.600 1.00 0.00 H new ATOM 0 HA LEU A 88 4.685 9.229 -0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.440 11.575 -2.580 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.338 10.097 -2.862 1.00 0.00 H new ATOM 0 HG LEU A 88 2.365 10.548 -2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.533 8.917 -4.718 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.673 10.266 -4.938 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.261 8.690 -4.356 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.928 8.138 -2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.654 7.881 -2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.668 8.894 -1.019 1.00 0.00 H new ATOM 1423 N SER A 89 6.714 10.329 0.310 1.00 0.00 N ATOM 1424 CA SER A 89 7.935 10.994 0.846 1.00 0.00 C ATOM 1425 C SER A 89 9.171 10.439 0.136 1.00 0.00 C ATOM 1426 O SER A 89 10.268 10.758 0.563 1.00 0.00 O ATOM 1427 CB SER A 89 8.045 10.725 2.347 1.00 0.00 C ATOM 1428 OG SER A 89 7.963 11.956 3.052 1.00 0.00 O ATOM 1429 OXT SER A 89 8.999 9.705 -0.824 1.00 0.00 O ATOM 0 H SER A 89 6.656 9.325 0.479 1.00 0.00 H new ATOM 0 HA SER A 89 7.869 12.068 0.674 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.247 10.055 2.668 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.988 10.227 2.571 1.00 0.00 H new ATOM 0 HG SER A 89 8.031 11.787 4.015 1.00 0.00 H new TER 1435 SER A 89