USER MOD reduce.3.24.130724 H: found=0, std=0, add=922, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 922 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 12 GLN : amide:sc= -2.7 K(o=-8.8,f=-5.3) USER MOD Set 1.2: A 32 GLN : amide:sc= -6.07 K(o=-8.8,f=-4.1) USER MOD Set 2.1: A 20 ASN : amide:sc= 0.118 K(o=0.25,f=-1.5) USER MOD Set 2.2: A 30 THR OG1 : rot 168:sc= 0.13 USER MOD Single : A 5 LYS NZ :NH3+ -138:sc= -0.514 (180deg=-1.75!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0505 X(o=-0.05,f=-0.45) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 105:sc= 0.353 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -1.46 K(o=-1.5,f=-3.9!) USER MOD Single : A 38 GLN : amide:sc= -0.0152 X(o=-0.015,f=-0.38) USER MOD Single : A 44 THR OG1 : rot 83:sc= 0.398 USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0204) USER MOD Single : A 55 MET CE :methyl -121:sc= -12! (180deg=-19.7!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -152:sc= -3.56! (180deg=-5.14!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -135:sc= -5.09! (180deg=-6.68!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.556 K(o=-0.56,f=-2.3) USER MOD Single : A 81 MET CE :methyl -155:sc= -12.5! (180deg=-17.2!) USER MOD Single : A 82 THR OG1 : rot -180:sc= 0.254 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 165:sc= -3.13! (180deg=-4.27!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot -87:sc= -0.118 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.292 USER MOD Single : A 101 HIS : no HD1:sc= -11.6! C(o=-12!,f=-13!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N GLU A 4 -5.099 -9.504 11.346 1.00 0.00 N ATOM 50 CA GLU A 4 -4.888 -8.666 10.178 1.00 0.00 C ATOM 51 C GLU A 4 -3.604 -7.849 10.335 1.00 0.00 C ATOM 52 O GLU A 4 -3.147 -7.614 11.453 1.00 0.00 O ATOM 53 CB GLU A 4 -6.092 -7.753 9.934 1.00 0.00 C ATOM 54 CG GLU A 4 -6.768 -8.082 8.602 1.00 0.00 C ATOM 55 CD GLU A 4 -8.292 -8.047 8.737 1.00 0.00 C ATOM 56 OE1 GLU A 4 -8.807 -6.956 9.065 1.00 0.00 O ATOM 57 OE2 GLU A 4 -8.907 -9.111 8.509 1.00 0.00 O ATOM 0 HA GLU A 4 -4.780 -9.312 9.307 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.809 -7.865 10.747 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.770 -6.712 9.935 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.450 -7.368 7.843 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.452 -9.069 8.264 1.00 0.00 H new ATOM 64 N LYS A 5 -3.059 -7.439 9.200 1.00 0.00 N ATOM 65 CA LYS A 5 -1.836 -6.654 9.197 1.00 0.00 C ATOM 66 C LYS A 5 -1.832 -5.727 7.980 1.00 0.00 C ATOM 67 O LYS A 5 -2.567 -5.955 7.020 1.00 0.00 O ATOM 68 CB LYS A 5 -0.612 -7.568 9.277 1.00 0.00 C ATOM 69 CG LYS A 5 -0.375 -8.043 10.713 1.00 0.00 C ATOM 70 CD LYS A 5 -0.737 -9.521 10.869 1.00 0.00 C ATOM 71 CE LYS A 5 0.484 -10.412 10.632 1.00 0.00 C ATOM 72 NZ LYS A 5 0.667 -11.351 11.762 1.00 0.00 N ATOM 0 H LYS A 5 -3.442 -7.636 8.275 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.790 -6.019 10.082 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.753 -8.429 8.624 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.268 -7.036 8.916 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.670 -7.891 10.982 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.972 -7.444 11.401 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.133 -9.699 11.869 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.525 -9.783 10.163 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.360 -10.970 9.704 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.375 -9.795 10.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.677 -11.412 12.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.134 -11.009 12.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.319 -12.293 11.491 1.00 0.00 H new ATOM 86 N ILE A 6 -0.997 -4.702 8.059 1.00 0.00 N ATOM 87 CA ILE A 6 -0.889 -3.740 6.976 1.00 0.00 C ATOM 88 C ILE A 6 0.435 -2.983 7.103 1.00 0.00 C ATOM 89 O ILE A 6 1.028 -2.937 8.180 1.00 0.00 O ATOM 90 CB ILE A 6 -2.117 -2.828 6.944 1.00 0.00 C ATOM 91 CG1 ILE A 6 -3.158 -3.346 5.950 1.00 0.00 C ATOM 92 CG2 ILE A 6 -1.718 -1.380 6.653 1.00 0.00 C ATOM 93 CD1 ILE A 6 -4.471 -3.686 6.658 1.00 0.00 C ATOM 0 H ILE A 6 -0.389 -4.517 8.856 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.875 -4.251 6.013 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.579 -2.842 7.931 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.339 -2.594 5.182 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.774 -4.232 5.444 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.610 -0.753 6.636 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.041 -1.026 7.430 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.219 -1.328 5.685 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.194 -4.052 5.929 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.291 -4.456 7.408 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.865 -2.793 7.142 1.00 0.00 H new ATOM 105 N LEU A 7 0.861 -2.409 5.987 1.00 0.00 N ATOM 106 CA LEU A 7 2.104 -1.657 5.959 1.00 0.00 C ATOM 107 C LEU A 7 1.874 -0.326 5.240 1.00 0.00 C ATOM 108 O LEU A 7 1.100 -0.258 4.287 1.00 0.00 O ATOM 109 CB LEU A 7 3.226 -2.500 5.350 1.00 0.00 C ATOM 110 CG LEU A 7 4.537 -2.543 6.138 1.00 0.00 C ATOM 111 CD1 LEU A 7 4.518 -3.671 7.172 1.00 0.00 C ATOM 112 CD2 LEU A 7 5.739 -2.646 5.198 1.00 0.00 C ATOM 0 H LEU A 7 0.367 -2.450 5.095 1.00 0.00 H new ATOM 0 HA LEU A 7 2.429 -1.420 6.972 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.863 -3.521 5.232 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.438 -2.119 4.351 1.00 0.00 H new ATOM 0 HG LEU A 7 4.637 -1.606 6.686 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.461 -3.680 7.718 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.696 -3.511 7.870 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.383 -4.627 6.665 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.658 -2.675 5.784 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.659 -3.556 4.604 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.758 -1.781 4.536 1.00 0.00 H new ATOM 124 N ILE A 8 2.560 0.698 5.725 1.00 0.00 N ATOM 125 CA ILE A 8 2.441 2.023 5.141 1.00 0.00 C ATOM 126 C ILE A 8 3.811 2.479 4.636 1.00 0.00 C ATOM 127 O ILE A 8 4.674 2.856 5.427 1.00 0.00 O ATOM 128 CB ILE A 8 1.799 2.992 6.136 1.00 0.00 C ATOM 129 CG1 ILE A 8 0.375 2.555 6.486 1.00 0.00 C ATOM 130 CG2 ILE A 8 1.845 4.428 5.611 1.00 0.00 C ATOM 131 CD1 ILE A 8 -0.074 3.162 7.817 1.00 0.00 C ATOM 0 H ILE A 8 3.201 0.637 6.516 1.00 0.00 H new ATOM 0 HA ILE A 8 1.775 2.000 4.279 1.00 0.00 H new ATOM 0 HB ILE A 8 2.379 2.968 7.058 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.308 2.861 5.694 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.329 1.468 6.544 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.382 5.096 6.337 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.882 4.725 5.454 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.304 4.488 4.667 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.089 2.835 8.042 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.597 2.834 8.611 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.050 4.250 7.748 1.00 0.00 H new ATOM 143 N VAL A 9 3.969 2.428 3.321 1.00 0.00 N ATOM 144 CA VAL A 9 5.220 2.831 2.701 1.00 0.00 C ATOM 145 C VAL A 9 5.074 4.249 2.144 1.00 0.00 C ATOM 146 O VAL A 9 4.122 4.542 1.423 1.00 0.00 O ATOM 147 CB VAL A 9 5.629 1.810 1.638 1.00 0.00 C ATOM 148 CG1 VAL A 9 7.027 2.115 1.096 1.00 0.00 C ATOM 149 CG2 VAL A 9 5.554 0.385 2.189 1.00 0.00 C ATOM 0 H VAL A 9 3.251 2.114 2.668 1.00 0.00 H new ATOM 0 HA VAL A 9 6.023 2.852 3.438 1.00 0.00 H new ATOM 0 HB VAL A 9 4.924 1.886 0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.294 1.375 0.342 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.035 3.109 0.648 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.749 2.079 1.912 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.850 -0.321 1.413 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.226 0.289 3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.533 0.170 2.505 1.00 0.00 H new ATOM 159 N ASP A 10 6.033 5.091 2.500 1.00 0.00 N ATOM 160 CA ASP A 10 6.024 6.471 2.044 1.00 0.00 C ATOM 161 C ASP A 10 4.599 7.022 2.129 1.00 0.00 C ATOM 162 O ASP A 10 3.741 6.435 2.786 1.00 0.00 O ATOM 163 CB ASP A 10 6.485 6.574 0.589 1.00 0.00 C ATOM 164 CG ASP A 10 7.214 7.870 0.231 1.00 0.00 C ATOM 165 OD1 ASP A 10 7.798 8.468 1.161 1.00 0.00 O ATOM 166 OD2 ASP A 10 7.170 8.235 -0.964 1.00 0.00 O ATOM 0 H ASP A 10 6.821 4.845 3.099 1.00 0.00 H new ATOM 0 HA ASP A 10 6.704 7.040 2.678 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.143 5.733 0.372 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.615 6.473 -0.060 1.00 0.00 H new ATOM 171 N ASP A 11 4.392 8.144 1.455 1.00 0.00 N ATOM 172 CA ASP A 11 3.086 8.781 1.446 1.00 0.00 C ATOM 173 C ASP A 11 2.699 9.162 2.876 1.00 0.00 C ATOM 174 O ASP A 11 1.542 9.481 3.146 1.00 0.00 O ATOM 175 CB ASP A 11 2.014 7.832 0.904 1.00 0.00 C ATOM 176 CG ASP A 11 0.809 8.520 0.258 1.00 0.00 C ATOM 177 OD1 ASP A 11 1.041 9.294 -0.696 1.00 0.00 O ATOM 178 OD2 ASP A 11 -0.316 8.255 0.732 1.00 0.00 O ATOM 0 H ASP A 11 5.107 8.628 0.911 1.00 0.00 H new ATOM 0 HA ASP A 11 3.145 9.662 0.807 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.473 7.171 0.169 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.660 7.203 1.721 1.00 0.00 H new ATOM 183 N GLN A 12 3.690 9.117 3.755 1.00 0.00 N ATOM 184 CA GLN A 12 3.468 9.454 5.151 1.00 0.00 C ATOM 185 C GLN A 12 3.477 10.972 5.338 1.00 0.00 C ATOM 186 O GLN A 12 4.506 11.619 5.146 1.00 0.00 O ATOM 187 CB GLN A 12 4.510 8.785 6.049 1.00 0.00 C ATOM 188 CG GLN A 12 5.912 8.911 5.450 1.00 0.00 C ATOM 189 CD GLN A 12 6.963 9.095 6.547 1.00 0.00 C ATOM 190 OE1 GLN A 12 7.874 8.301 6.710 1.00 0.00 O ATOM 191 NE2 GLN A 12 6.785 10.185 7.289 1.00 0.00 N ATOM 0 H GLN A 12 4.648 8.852 3.527 1.00 0.00 H new ATOM 0 HA GLN A 12 2.488 9.077 5.444 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.491 9.243 7.038 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.260 7.732 6.180 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.143 8.020 4.866 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.944 9.758 4.765 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.001 10.809 7.099 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.433 10.397 8.048 1.00 0.00 H new ATOM 200 N TYR A 13 2.319 11.498 5.711 1.00 0.00 N ATOM 201 CA TYR A 13 2.181 12.928 5.926 1.00 0.00 C ATOM 202 C TYR A 13 0.924 13.241 6.741 1.00 0.00 C ATOM 203 O TYR A 13 0.340 14.314 6.600 1.00 0.00 O ATOM 204 CB TYR A 13 2.041 13.552 4.536 1.00 0.00 C ATOM 205 CG TYR A 13 3.059 14.657 4.245 1.00 0.00 C ATOM 206 CD1 TYR A 13 2.900 15.907 4.808 1.00 0.00 C ATOM 207 CD2 TYR A 13 4.136 14.404 3.421 1.00 0.00 C ATOM 208 CE1 TYR A 13 3.857 16.947 4.534 1.00 0.00 C ATOM 209 CE2 TYR A 13 5.094 15.443 3.147 1.00 0.00 C ATOM 210 CZ TYR A 13 4.907 16.664 3.717 1.00 0.00 C ATOM 211 OH TYR A 13 5.812 17.646 3.459 1.00 0.00 O ATOM 0 H TYR A 13 1.468 10.959 5.870 1.00 0.00 H new ATOM 0 HA TYR A 13 3.038 13.318 6.475 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.145 12.769 3.785 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.036 13.961 4.432 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.058 16.105 5.454 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.261 13.426 2.981 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.744 17.930 4.967 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.942 15.257 2.504 1.00 0.00 H new ATOM 0 HH TYR A 13 6.508 17.301 2.862 1.00 0.00 H new ATOM 221 N GLY A 14 0.545 12.284 7.575 1.00 0.00 N ATOM 222 CA GLY A 14 -0.632 12.443 8.412 1.00 0.00 C ATOM 223 C GLY A 14 -1.784 11.570 7.912 1.00 0.00 C ATOM 224 O GLY A 14 -2.817 11.462 8.570 1.00 0.00 O ATOM 0 H GLY A 14 1.032 11.395 7.689 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.389 12.177 9.441 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.940 13.489 8.418 1.00 0.00 H new ATOM 228 N ILE A 15 -1.567 10.969 6.751 1.00 0.00 N ATOM 229 CA ILE A 15 -2.574 10.108 6.154 1.00 0.00 C ATOM 230 C ILE A 15 -2.346 8.667 6.616 1.00 0.00 C ATOM 231 O ILE A 15 -3.300 7.939 6.886 1.00 0.00 O ATOM 232 CB ILE A 15 -2.587 10.272 4.633 1.00 0.00 C ATOM 233 CG1 ILE A 15 -3.082 11.664 4.236 1.00 0.00 C ATOM 234 CG2 ILE A 15 -3.403 9.162 3.969 1.00 0.00 C ATOM 235 CD1 ILE A 15 -2.112 12.334 3.261 1.00 0.00 C ATOM 0 H ILE A 15 -0.709 11.061 6.208 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.570 10.397 6.490 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.563 10.179 4.270 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.068 11.586 3.778 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.193 12.282 5.127 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.396 9.302 2.888 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.966 8.194 4.212 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.430 9.198 4.333 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.488 13.322 2.995 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.134 12.432 3.731 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.023 11.726 2.361 1.00 0.00 H new ATOM 247 N ARG A 16 -1.075 8.298 6.691 1.00 0.00 N ATOM 248 CA ARG A 16 -0.709 6.957 7.115 1.00 0.00 C ATOM 249 C ARG A 16 -1.375 6.623 8.451 1.00 0.00 C ATOM 250 O ARG A 16 -1.801 5.490 8.670 1.00 0.00 O ATOM 251 CB ARG A 16 0.808 6.821 7.261 1.00 0.00 C ATOM 252 CG ARG A 16 1.395 8.012 8.020 1.00 0.00 C ATOM 253 CD ARG A 16 2.811 7.705 8.512 1.00 0.00 C ATOM 254 NE ARG A 16 2.755 7.073 9.849 1.00 0.00 N ATOM 255 CZ ARG A 16 3.768 7.080 10.726 1.00 0.00 C ATOM 256 NH1 ARG A 16 4.921 7.685 10.413 1.00 0.00 N ATOM 257 NH2 ARG A 16 3.628 6.481 11.917 1.00 0.00 N ATOM 0 H ARG A 16 -0.286 8.904 6.465 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.053 6.261 6.350 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.045 5.897 7.788 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.267 6.752 6.275 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.413 8.888 7.371 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.757 8.257 8.869 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.314 7.042 7.808 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.396 8.624 8.559 1.00 0.00 H new ATOM 0 HE ARG A 16 1.891 6.603 10.120 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.028 8.141 9.507 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.692 7.690 11.081 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.750 6.020 12.156 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.399 6.486 12.584 1.00 0.00 H new ATOM 271 N ILE A 17 -1.445 7.629 9.310 1.00 0.00 N ATOM 272 CA ILE A 17 -2.052 7.456 10.619 1.00 0.00 C ATOM 273 C ILE A 17 -3.562 7.269 10.455 1.00 0.00 C ATOM 274 O ILE A 17 -4.152 6.385 11.073 1.00 0.00 O ATOM 275 CB ILE A 17 -1.672 8.614 11.543 1.00 0.00 C ATOM 276 CG1 ILE A 17 -0.153 8.720 11.694 1.00 0.00 C ATOM 277 CG2 ILE A 17 -2.376 8.489 12.896 1.00 0.00 C ATOM 278 CD1 ILE A 17 0.279 10.175 11.883 1.00 0.00 C ATOM 0 H ILE A 17 -1.091 8.568 9.125 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.669 6.556 11.101 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.015 9.542 11.086 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.173 8.126 12.548 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.334 8.304 10.812 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.089 9.325 13.534 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.456 8.501 12.747 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.086 7.552 13.372 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.363 10.222 11.988 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.028 10.761 11.017 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.190 10.580 12.780 1.00 0.00 H new ATOM 290 N LEU A 18 -4.144 8.117 9.619 1.00 0.00 N ATOM 291 CA LEU A 18 -5.573 8.057 9.366 1.00 0.00 C ATOM 292 C LEU A 18 -5.993 6.597 9.182 1.00 0.00 C ATOM 293 O LEU A 18 -6.873 6.106 9.887 1.00 0.00 O ATOM 294 CB LEU A 18 -5.948 8.958 8.188 1.00 0.00 C ATOM 295 CG LEU A 18 -7.392 9.461 8.161 1.00 0.00 C ATOM 296 CD1 LEU A 18 -7.519 10.803 8.885 1.00 0.00 C ATOM 297 CD2 LEU A 18 -7.922 9.531 6.728 1.00 0.00 C ATOM 0 H LEU A 18 -3.651 8.849 9.108 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.127 8.444 10.221 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.283 9.822 8.191 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.757 8.412 7.264 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.013 8.745 8.699 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.556 11.138 8.851 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.209 10.687 9.924 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.883 11.541 8.397 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.951 9.892 6.738 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.304 10.213 6.144 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.890 8.538 6.279 1.00 0.00 H new ATOM 309 N LEU A 19 -5.343 5.944 8.230 1.00 0.00 N ATOM 310 CA LEU A 19 -5.638 4.550 7.943 1.00 0.00 C ATOM 311 C LEU A 19 -5.073 3.673 9.063 1.00 0.00 C ATOM 312 O LEU A 19 -5.541 2.557 9.278 1.00 0.00 O ATOM 313 CB LEU A 19 -5.132 4.171 6.550 1.00 0.00 C ATOM 314 CG LEU A 19 -3.705 4.609 6.212 1.00 0.00 C ATOM 315 CD1 LEU A 19 -2.872 3.426 5.715 1.00 0.00 C ATOM 316 CD2 LEU A 19 -3.709 5.768 5.213 1.00 0.00 C ATOM 0 H LEU A 19 -4.613 6.354 7.647 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.715 4.385 7.921 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.193 3.088 6.446 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.808 4.601 5.810 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.234 4.973 7.125 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.862 3.764 5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.828 2.661 6.490 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.331 3.009 4.819 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.683 6.060 4.990 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.205 5.455 4.294 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.242 6.616 5.642 1.00 0.00 H new ATOM 328 N ASN A 20 -4.074 4.212 9.746 1.00 0.00 N ATOM 329 CA ASN A 20 -3.440 3.493 10.838 1.00 0.00 C ATOM 330 C ASN A 20 -4.463 3.263 11.953 1.00 0.00 C ATOM 331 O ASN A 20 -4.703 2.125 12.354 1.00 0.00 O ATOM 332 CB ASN A 20 -2.276 4.295 11.423 1.00 0.00 C ATOM 333 CG ASN A 20 -1.446 3.437 12.381 1.00 0.00 C ATOM 334 OD1 ASN A 20 -1.668 2.248 12.542 1.00 0.00 O ATOM 335 ND2 ASN A 20 -0.480 4.104 13.006 1.00 0.00 N ATOM 0 H ASN A 20 -3.688 5.138 9.564 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.066 2.547 10.447 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.642 4.663 10.617 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.660 5.168 11.951 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.129 3.620 13.666 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.348 5.099 12.825 1.00 0.00 H new ATOM 342 N GLU A 21 -5.038 4.360 12.421 1.00 0.00 N ATOM 343 CA GLU A 21 -6.029 4.292 13.481 1.00 0.00 C ATOM 344 C GLU A 21 -7.126 3.289 13.119 1.00 0.00 C ATOM 345 O GLU A 21 -7.696 2.643 13.997 1.00 0.00 O ATOM 346 CB GLU A 21 -6.622 5.673 13.767 1.00 0.00 C ATOM 347 CG GLU A 21 -7.286 5.710 15.145 1.00 0.00 C ATOM 348 CD GLU A 21 -7.050 7.056 15.832 1.00 0.00 C ATOM 349 OE1 GLU A 21 -7.757 8.017 15.458 1.00 0.00 O ATOM 350 OE2 GLU A 21 -6.166 7.095 16.716 1.00 0.00 O ATOM 0 H GLU A 21 -4.837 5.302 12.085 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.536 3.949 14.391 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.837 6.427 13.717 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.354 5.924 13.000 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.357 5.533 15.041 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.889 4.907 15.765 1.00 0.00 H new ATOM 357 N VAL A 22 -7.388 3.189 11.824 1.00 0.00 N ATOM 358 CA VAL A 22 -8.406 2.275 11.335 1.00 0.00 C ATOM 359 C VAL A 22 -7.993 0.838 11.657 1.00 0.00 C ATOM 360 O VAL A 22 -8.699 0.132 12.375 1.00 0.00 O ATOM 361 CB VAL A 22 -8.644 2.508 9.841 1.00 0.00 C ATOM 362 CG1 VAL A 22 -9.632 1.485 9.278 1.00 0.00 C ATOM 363 CG2 VAL A 22 -9.125 3.937 9.579 1.00 0.00 C ATOM 0 H VAL A 22 -6.913 3.726 11.099 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.357 2.460 11.835 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.693 2.375 9.325 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -9.784 1.673 8.215 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.233 0.480 9.416 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.584 1.572 9.801 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -9.287 4.076 8.510 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.059 4.110 10.113 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.372 4.644 9.927 1.00 0.00 H new ATOM 373 N PHE A 23 -6.850 0.448 11.111 1.00 0.00 N ATOM 374 CA PHE A 23 -6.335 -0.892 11.331 1.00 0.00 C ATOM 375 C PHE A 23 -5.931 -1.091 12.794 1.00 0.00 C ATOM 376 O PHE A 23 -6.210 -2.134 13.382 1.00 0.00 O ATOM 377 CB PHE A 23 -5.095 -1.046 10.447 1.00 0.00 C ATOM 378 CG PHE A 23 -5.326 -0.672 8.982 1.00 0.00 C ATOM 379 CD1 PHE A 23 -6.407 -1.162 8.317 1.00 0.00 C ATOM 380 CD2 PHE A 23 -4.451 0.150 8.343 1.00 0.00 C ATOM 381 CE1 PHE A 23 -6.621 -0.815 6.957 1.00 0.00 C ATOM 382 CE2 PHE A 23 -4.665 0.497 6.983 1.00 0.00 C ATOM 383 CZ PHE A 23 -5.746 0.007 6.319 1.00 0.00 C ATOM 0 H PHE A 23 -6.267 1.037 10.517 1.00 0.00 H new ATOM 0 HA PHE A 23 -7.101 -1.629 11.090 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.295 -0.424 10.849 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.751 -2.079 10.498 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.102 -1.815 8.824 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.593 0.539 8.871 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.479 -1.204 6.429 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.970 1.150 6.476 1.00 0.00 H new ATOM 0 HZ PHE A 23 -5.909 0.271 5.285 1.00 0.00 H new ATOM 393 N ASN A 24 -5.281 -0.073 13.338 1.00 0.00 N ATOM 394 CA ASN A 24 -4.836 -0.123 14.720 1.00 0.00 C ATOM 395 C ASN A 24 -6.046 -0.330 15.634 1.00 0.00 C ATOM 396 O ASN A 24 -5.959 -1.043 16.632 1.00 0.00 O ATOM 397 CB ASN A 24 -4.155 1.186 15.127 1.00 0.00 C ATOM 398 CG ASN A 24 -3.061 0.934 16.167 1.00 0.00 C ATOM 399 OD1 ASN A 24 -2.253 0.028 16.048 1.00 0.00 O ATOM 400 ND2 ASN A 24 -3.080 1.785 17.188 1.00 0.00 N ATOM 0 H ASN A 24 -5.052 0.791 12.847 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.126 -0.944 14.816 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.723 1.664 14.248 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.896 1.875 15.533 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.390 1.702 17.934 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.785 2.521 17.225 1.00 0.00 H new ATOM 407 N LYS A 25 -7.146 0.307 15.259 1.00 0.00 N ATOM 408 CA LYS A 25 -8.371 0.201 16.032 1.00 0.00 C ATOM 409 C LYS A 25 -8.705 -1.276 16.252 1.00 0.00 C ATOM 410 O LYS A 25 -9.437 -1.619 17.179 1.00 0.00 O ATOM 411 CB LYS A 25 -9.497 0.993 15.363 1.00 0.00 C ATOM 412 CG LYS A 25 -9.692 2.350 16.042 1.00 0.00 C ATOM 413 CD LYS A 25 -10.926 3.066 15.491 1.00 0.00 C ATOM 414 CE LYS A 25 -12.043 3.115 16.535 1.00 0.00 C ATOM 415 NZ LYS A 25 -11.769 4.167 17.539 1.00 0.00 N ATOM 0 H LYS A 25 -7.214 0.898 14.430 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.239 0.648 17.017 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.266 1.140 14.308 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.425 0.423 15.409 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.798 2.210 17.118 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.808 2.969 15.886 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.659 4.079 15.191 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.281 2.552 14.598 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.997 3.311 16.046 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.130 2.147 17.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.537 4.186 18.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.868 3.964 18.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.709 5.091 17.066 1.00 0.00 H new ATOM 429 N GLU A 26 -8.152 -2.110 15.384 1.00 0.00 N ATOM 430 CA GLU A 26 -8.382 -3.542 15.471 1.00 0.00 C ATOM 431 C GLU A 26 -7.261 -4.211 16.269 1.00 0.00 C ATOM 432 O GLU A 26 -7.436 -5.313 16.787 1.00 0.00 O ATOM 433 CB GLU A 26 -8.510 -4.163 14.079 1.00 0.00 C ATOM 434 CG GLU A 26 -9.690 -3.558 13.316 1.00 0.00 C ATOM 435 CD GLU A 26 -11.016 -4.149 13.799 1.00 0.00 C ATOM 436 OE1 GLU A 26 -11.480 -3.700 14.870 1.00 0.00 O ATOM 437 OE2 GLU A 26 -11.536 -5.035 13.088 1.00 0.00 O ATOM 0 H GLU A 26 -7.545 -1.821 14.617 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.324 -3.708 15.994 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.589 -4.002 13.519 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.644 -5.241 14.169 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.699 -2.476 13.451 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.572 -3.745 12.249 1.00 0.00 H new ATOM 444 N GLY A 27 -6.135 -3.518 16.343 1.00 0.00 N ATOM 445 CA GLY A 27 -4.985 -4.031 17.068 1.00 0.00 C ATOM 446 C GLY A 27 -3.995 -4.708 16.119 1.00 0.00 C ATOM 447 O GLY A 27 -3.070 -5.388 16.562 1.00 0.00 O ATOM 0 H GLY A 27 -5.994 -2.604 15.912 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.489 -3.215 17.595 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.315 -4.744 17.823 1.00 0.00 H new ATOM 451 N TYR A 28 -4.222 -4.499 14.830 1.00 0.00 N ATOM 452 CA TYR A 28 -3.362 -5.081 13.814 1.00 0.00 C ATOM 453 C TYR A 28 -1.973 -4.439 13.839 1.00 0.00 C ATOM 454 O TYR A 28 -1.834 -3.266 14.183 1.00 0.00 O ATOM 455 CB TYR A 28 -4.028 -4.775 12.472 1.00 0.00 C ATOM 456 CG TYR A 28 -5.452 -5.321 12.345 1.00 0.00 C ATOM 457 CD1 TYR A 28 -5.882 -6.327 13.186 1.00 0.00 C ATOM 458 CD2 TYR A 28 -6.306 -4.807 11.390 1.00 0.00 C ATOM 459 CE1 TYR A 28 -7.222 -6.841 13.067 1.00 0.00 C ATOM 460 CE2 TYR A 28 -7.646 -5.321 11.271 1.00 0.00 C ATOM 461 CZ TYR A 28 -8.038 -6.313 12.115 1.00 0.00 C ATOM 462 OH TYR A 28 -9.303 -6.798 12.003 1.00 0.00 O ATOM 0 H TYR A 28 -4.990 -3.934 14.466 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.236 -6.150 13.984 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.050 -3.695 12.327 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.417 -5.192 11.671 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.214 -6.729 13.933 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.969 -4.019 10.732 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -7.571 -7.628 13.719 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -8.324 -4.928 10.528 1.00 0.00 H new ATOM 0 HH TYR A 28 -9.935 -6.153 12.383 1.00 0.00 H new ATOM 472 N GLN A 29 -0.981 -5.235 13.469 1.00 0.00 N ATOM 473 CA GLN A 29 0.391 -4.759 13.444 1.00 0.00 C ATOM 474 C GLN A 29 0.676 -4.028 12.131 1.00 0.00 C ATOM 475 O GLN A 29 0.545 -4.607 11.053 1.00 0.00 O ATOM 476 CB GLN A 29 1.375 -5.912 13.655 1.00 0.00 C ATOM 477 CG GLN A 29 2.374 -5.584 14.767 1.00 0.00 C ATOM 478 CD GLN A 29 2.992 -6.860 15.343 1.00 0.00 C ATOM 479 OE1 GLN A 29 3.859 -7.482 14.752 1.00 0.00 O ATOM 480 NE2 GLN A 29 2.498 -7.214 16.526 1.00 0.00 N ATOM 0 H GLN A 29 -1.100 -6.207 13.184 1.00 0.00 H new ATOM 0 HA GLN A 29 0.526 -4.055 14.265 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.828 -6.820 13.909 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.911 -6.112 12.727 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.161 -4.939 14.375 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.872 -5.029 15.560 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.773 -6.648 16.966 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.845 -8.052 16.993 1.00 0.00 H new ATOM 489 N THR A 30 1.061 -2.767 12.263 1.00 0.00 N ATOM 490 CA THR A 30 1.365 -1.951 11.100 1.00 0.00 C ATOM 491 C THR A 30 2.761 -1.338 11.230 1.00 0.00 C ATOM 492 O THR A 30 3.216 -1.050 12.335 1.00 0.00 O ATOM 493 CB THR A 30 0.255 -0.909 10.950 1.00 0.00 C ATOM 494 OG1 THR A 30 0.108 -0.367 12.260 1.00 0.00 O ATOM 495 CG2 THR A 30 -1.106 -1.542 10.654 1.00 0.00 C ATOM 0 H THR A 30 1.169 -2.290 13.158 1.00 0.00 H new ATOM 0 HA THR A 30 1.391 -2.552 10.191 1.00 0.00 H new ATOM 0 HB THR A 30 0.514 -0.215 10.150 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.442 0.443 12.219 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.858 -0.759 10.557 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.049 -2.108 9.724 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.381 -2.210 11.470 1.00 0.00 H new ATOM 503 N PHE A 31 3.401 -1.156 10.084 1.00 0.00 N ATOM 504 CA PHE A 31 4.735 -0.583 10.055 1.00 0.00 C ATOM 505 C PHE A 31 4.874 0.425 8.912 1.00 0.00 C ATOM 506 O PHE A 31 4.046 0.457 8.004 1.00 0.00 O ATOM 507 CB PHE A 31 5.713 -1.736 9.823 1.00 0.00 C ATOM 508 CG PHE A 31 6.914 -1.734 10.772 1.00 0.00 C ATOM 509 CD1 PHE A 31 7.959 -0.894 10.545 1.00 0.00 C ATOM 510 CD2 PHE A 31 6.935 -2.572 11.843 1.00 0.00 C ATOM 511 CE1 PHE A 31 9.073 -0.893 11.425 1.00 0.00 C ATOM 512 CE2 PHE A 31 8.049 -2.570 12.724 1.00 0.00 C ATOM 513 CZ PHE A 31 9.095 -1.731 12.496 1.00 0.00 C ATOM 0 H PHE A 31 3.020 -1.396 9.169 1.00 0.00 H new ATOM 0 HA PHE A 31 4.936 -0.061 10.991 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.179 -2.680 9.932 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.075 -1.691 8.796 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.941 -0.228 9.695 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.105 -3.239 12.023 1.00 0.00 H new ATOM 0 HE1 PHE A 31 9.903 -0.227 11.244 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.066 -3.235 13.575 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.943 -1.730 13.165 1.00 0.00 H new ATOM 523 N GLN A 32 5.928 1.224 8.995 1.00 0.00 N ATOM 524 CA GLN A 32 6.186 2.230 7.979 1.00 0.00 C ATOM 525 C GLN A 32 7.601 2.069 7.420 1.00 0.00 C ATOM 526 O GLN A 32 8.537 1.776 8.163 1.00 0.00 O ATOM 527 CB GLN A 32 5.974 3.639 8.536 1.00 0.00 C ATOM 528 CG GLN A 32 7.022 4.609 7.988 1.00 0.00 C ATOM 529 CD GLN A 32 6.706 6.048 8.401 1.00 0.00 C ATOM 530 OE1 GLN A 32 7.191 6.557 9.398 1.00 0.00 O ATOM 531 NE2 GLN A 32 5.867 6.674 7.580 1.00 0.00 N ATOM 0 H GLN A 32 6.613 1.195 9.750 1.00 0.00 H new ATOM 0 HA GLN A 32 5.476 2.086 7.165 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.976 3.991 8.275 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.029 3.616 9.624 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.009 4.330 8.356 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.055 4.538 6.901 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.497 6.190 6.762 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.594 7.638 7.768 1.00 0.00 H new ATOM 540 N ALA A 33 7.714 2.268 6.115 1.00 0.00 N ATOM 541 CA ALA A 33 8.999 2.148 5.448 1.00 0.00 C ATOM 542 C ALA A 33 9.284 3.432 4.666 1.00 0.00 C ATOM 543 O ALA A 33 8.396 4.263 4.485 1.00 0.00 O ATOM 544 CB ALA A 33 8.996 0.908 4.552 1.00 0.00 C ATOM 0 H ALA A 33 6.936 2.512 5.502 1.00 0.00 H new ATOM 0 HA ALA A 33 9.799 2.021 6.177 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.960 0.818 4.052 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.818 0.021 5.159 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.207 1.000 3.805 1.00 0.00 H new ATOM 550 N ALA A 34 10.527 3.554 4.223 1.00 0.00 N ATOM 551 CA ALA A 34 10.940 4.722 3.464 1.00 0.00 C ATOM 552 C ALA A 34 11.619 4.271 2.170 1.00 0.00 C ATOM 553 O ALA A 34 12.660 4.806 1.792 1.00 0.00 O ATOM 554 CB ALA A 34 11.853 5.595 4.328 1.00 0.00 C ATOM 0 H ALA A 34 11.262 2.863 4.375 1.00 0.00 H new ATOM 0 HA ALA A 34 10.075 5.326 3.189 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.163 6.471 3.759 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.314 5.914 5.220 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.733 5.023 4.621 1.00 0.00 H new ATOM 560 N ASN A 35 11.002 3.291 1.526 1.00 0.00 N ATOM 561 CA ASN A 35 11.534 2.761 0.282 1.00 0.00 C ATOM 562 C ASN A 35 10.765 1.494 -0.099 1.00 0.00 C ATOM 563 O ASN A 35 9.805 1.121 0.574 1.00 0.00 O ATOM 564 CB ASN A 35 13.012 2.391 0.428 1.00 0.00 C ATOM 565 CG ASN A 35 13.907 3.432 -0.247 1.00 0.00 C ATOM 566 OD1 ASN A 35 13.467 4.242 -1.046 1.00 0.00 O ATOM 567 ND2 ASN A 35 15.184 3.364 0.116 1.00 0.00 N ATOM 0 H ASN A 35 10.138 2.850 1.843 1.00 0.00 H new ATOM 0 HA ASN A 35 11.428 3.529 -0.484 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.269 2.316 1.485 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.191 1.411 -0.014 1.00 0.00 H new ATOM 0 HD21 ASN A 35 15.862 4.015 -0.280 1.00 0.00 H new ATOM 0 HD22 ASN A 35 15.486 2.661 0.790 1.00 0.00 H new ATOM 574 N GLY A 36 11.216 0.868 -1.176 1.00 0.00 N ATOM 575 CA GLY A 36 10.582 -0.349 -1.654 1.00 0.00 C ATOM 576 C GLY A 36 11.139 -1.578 -0.932 1.00 0.00 C ATOM 577 O GLY A 36 10.381 -2.395 -0.413 1.00 0.00 O ATOM 0 H GLY A 36 12.013 1.181 -1.731 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.505 -0.288 -1.497 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.743 -0.450 -2.727 1.00 0.00 H new ATOM 581 N LEU A 37 12.461 -1.669 -0.923 1.00 0.00 N ATOM 582 CA LEU A 37 13.129 -2.784 -0.274 1.00 0.00 C ATOM 583 C LEU A 37 12.792 -2.777 1.218 1.00 0.00 C ATOM 584 O LEU A 37 12.248 -3.749 1.740 1.00 0.00 O ATOM 585 CB LEU A 37 14.631 -2.752 -0.565 1.00 0.00 C ATOM 586 CG LEU A 37 15.240 -4.052 -1.093 1.00 0.00 C ATOM 587 CD1 LEU A 37 16.550 -3.782 -1.835 1.00 0.00 C ATOM 588 CD2 LEU A 37 15.420 -5.071 0.034 1.00 0.00 C ATOM 0 H LEU A 37 13.087 -0.989 -1.355 1.00 0.00 H new ATOM 0 HA LEU A 37 12.769 -3.730 -0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.823 -1.963 -1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.153 -2.476 0.351 1.00 0.00 H new ATOM 0 HG LEU A 37 14.546 -4.486 -1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 37 16.962 -4.723 -2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 37 16.360 -3.118 -2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.262 -3.313 -1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 37 15.855 -5.986 -0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 37 16.083 -4.659 0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.451 -5.295 0.480 1.00 0.00 H new ATOM 600 N GLN A 38 13.128 -1.669 1.863 1.00 0.00 N ATOM 601 CA GLN A 38 12.867 -1.523 3.285 1.00 0.00 C ATOM 602 C GLN A 38 11.436 -1.954 3.609 1.00 0.00 C ATOM 603 O GLN A 38 11.161 -2.426 4.711 1.00 0.00 O ATOM 604 CB GLN A 38 13.125 -0.086 3.744 1.00 0.00 C ATOM 605 CG GLN A 38 14.444 0.016 4.513 1.00 0.00 C ATOM 606 CD GLN A 38 14.776 1.473 4.841 1.00 0.00 C ATOM 607 OE1 GLN A 38 14.744 2.350 3.993 1.00 0.00 O ATOM 608 NE2 GLN A 38 15.096 1.682 6.115 1.00 0.00 N ATOM 0 H GLN A 38 13.578 -0.864 1.427 1.00 0.00 H new ATOM 0 HA GLN A 38 13.552 -2.172 3.830 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.152 0.576 2.879 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.304 0.250 4.377 1.00 0.00 H new ATOM 0 HG2 GLN A 38 14.377 -0.562 5.435 1.00 0.00 H new ATOM 0 HG3 GLN A 38 15.249 -0.420 3.921 1.00 0.00 H new ATOM 0 HE21 GLN A 38 15.103 0.903 6.773 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.334 2.621 6.434 1.00 0.00 H new ATOM 617 N ALA A 39 10.562 -1.776 2.630 1.00 0.00 N ATOM 618 CA ALA A 39 9.165 -2.141 2.797 1.00 0.00 C ATOM 619 C ALA A 39 9.011 -3.652 2.609 1.00 0.00 C ATOM 620 O ALA A 39 8.267 -4.300 3.343 1.00 0.00 O ATOM 621 CB ALA A 39 8.307 -1.341 1.816 1.00 0.00 C ATOM 0 H ALA A 39 10.794 -1.384 1.718 1.00 0.00 H new ATOM 0 HA ALA A 39 8.823 -1.897 3.803 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.259 -1.615 1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.429 -0.276 2.011 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.620 -1.561 0.795 1.00 0.00 H new ATOM 627 N LEU A 40 9.727 -4.169 1.621 1.00 0.00 N ATOM 628 CA LEU A 40 9.679 -5.591 1.327 1.00 0.00 C ATOM 629 C LEU A 40 10.013 -6.381 2.594 1.00 0.00 C ATOM 630 O LEU A 40 9.296 -7.313 2.956 1.00 0.00 O ATOM 631 CB LEU A 40 10.584 -5.923 0.139 1.00 0.00 C ATOM 632 CG LEU A 40 10.070 -5.493 -1.237 1.00 0.00 C ATOM 633 CD1 LEU A 40 11.038 -5.921 -2.342 1.00 0.00 C ATOM 634 CD2 LEU A 40 8.653 -6.018 -1.481 1.00 0.00 C ATOM 0 H LEU A 40 10.343 -3.628 1.014 1.00 0.00 H new ATOM 0 HA LEU A 40 8.674 -5.884 1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 40 11.554 -5.455 0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 40 10.748 -7.000 0.123 1.00 0.00 H new ATOM 0 HG LEU A 40 10.019 -4.404 -1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.649 -5.603 -3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.011 -5.459 -2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.145 -7.006 -2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.311 -5.699 -2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.655 -7.107 -1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.982 -5.623 -0.718 1.00 0.00 H new ATOM 646 N ASP A 41 11.102 -5.980 3.233 1.00 0.00 N ATOM 647 CA ASP A 41 11.540 -6.638 4.452 1.00 0.00 C ATOM 648 C ASP A 41 10.456 -6.492 5.523 1.00 0.00 C ATOM 649 O ASP A 41 9.919 -7.487 6.007 1.00 0.00 O ATOM 650 CB ASP A 41 12.824 -6.005 4.990 1.00 0.00 C ATOM 651 CG ASP A 41 13.817 -6.987 5.615 1.00 0.00 C ATOM 652 OD1 ASP A 41 13.723 -8.185 5.271 1.00 0.00 O ATOM 653 OD2 ASP A 41 14.646 -6.518 6.424 1.00 0.00 O ATOM 0 H ASP A 41 11.694 -5.207 2.929 1.00 0.00 H new ATOM 0 HA ASP A 41 11.725 -7.687 4.220 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.321 -5.479 4.175 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.557 -5.257 5.737 1.00 0.00 H new ATOM 658 N ILE A 42 10.169 -5.244 5.861 1.00 0.00 N ATOM 659 CA ILE A 42 9.159 -4.954 6.866 1.00 0.00 C ATOM 660 C ILE A 42 7.870 -5.700 6.516 1.00 0.00 C ATOM 661 O ILE A 42 7.187 -6.214 7.401 1.00 0.00 O ATOM 662 CB ILE A 42 8.974 -3.443 7.019 1.00 0.00 C ATOM 663 CG1 ILE A 42 10.249 -2.786 7.550 1.00 0.00 C ATOM 664 CG2 ILE A 42 7.759 -3.126 7.893 1.00 0.00 C ATOM 665 CD1 ILE A 42 10.211 -2.667 9.075 1.00 0.00 C ATOM 0 H ILE A 42 10.618 -4.422 5.457 1.00 0.00 H new ATOM 0 HA ILE A 42 9.480 -5.313 7.844 1.00 0.00 H new ATOM 0 HB ILE A 42 8.781 -3.020 6.033 1.00 0.00 H new ATOM 0 HG12 ILE A 42 11.117 -3.373 7.249 1.00 0.00 H new ATOM 0 HG13 ILE A 42 10.364 -1.797 7.107 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.650 -2.045 7.986 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.862 -3.543 7.435 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.898 -3.563 8.882 1.00 0.00 H new ATOM 0 HD11 ILE A 42 11.129 -2.197 9.426 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.356 -2.060 9.371 1.00 0.00 H new ATOM 0 HD13 ILE A 42 10.121 -3.660 9.515 1.00 0.00 H new ATOM 677 N VAL A 43 7.575 -5.734 5.225 1.00 0.00 N ATOM 678 CA VAL A 43 6.380 -6.408 4.748 1.00 0.00 C ATOM 679 C VAL A 43 6.476 -7.900 5.073 1.00 0.00 C ATOM 680 O VAL A 43 5.505 -8.505 5.523 1.00 0.00 O ATOM 681 CB VAL A 43 6.184 -6.133 3.256 1.00 0.00 C ATOM 682 CG1 VAL A 43 5.446 -7.289 2.577 1.00 0.00 C ATOM 683 CG2 VAL A 43 5.450 -4.809 3.034 1.00 0.00 C ATOM 0 H VAL A 43 8.143 -5.305 4.494 1.00 0.00 H new ATOM 0 HA VAL A 43 5.496 -6.021 5.255 1.00 0.00 H new ATOM 0 HB VAL A 43 7.170 -6.050 2.799 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.320 -7.068 1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.024 -8.206 2.690 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.467 -7.418 3.040 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.324 -4.638 1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.472 -4.851 3.513 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.031 -3.994 3.466 1.00 0.00 H new ATOM 693 N THR A 44 7.657 -8.450 4.832 1.00 0.00 N ATOM 694 CA THR A 44 7.894 -9.860 5.093 1.00 0.00 C ATOM 695 C THR A 44 7.825 -10.143 6.595 1.00 0.00 C ATOM 696 O THR A 44 7.311 -11.179 7.013 1.00 0.00 O ATOM 697 CB THR A 44 9.236 -10.239 4.464 1.00 0.00 C ATOM 698 OG1 THR A 44 8.972 -10.250 3.063 1.00 0.00 O ATOM 699 CG2 THR A 44 9.643 -11.680 4.778 1.00 0.00 C ATOM 0 H THR A 44 8.460 -7.945 4.459 1.00 0.00 H new ATOM 0 HA THR A 44 7.121 -10.481 4.641 1.00 0.00 H new ATOM 0 HB THR A 44 10.009 -9.558 4.820 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.028 -9.337 2.712 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.602 -11.898 4.308 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.730 -11.806 5.857 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.887 -12.364 4.393 1.00 0.00 H new ATOM 707 N LYS A 45 8.352 -9.202 7.366 1.00 0.00 N ATOM 708 CA LYS A 45 8.357 -9.337 8.813 1.00 0.00 C ATOM 709 C LYS A 45 6.943 -9.102 9.348 1.00 0.00 C ATOM 710 O LYS A 45 6.410 -9.928 10.088 1.00 0.00 O ATOM 711 CB LYS A 45 9.410 -8.417 9.433 1.00 0.00 C ATOM 712 CG LYS A 45 10.408 -9.214 10.276 1.00 0.00 C ATOM 713 CD LYS A 45 10.518 -8.636 11.688 1.00 0.00 C ATOM 714 CE LYS A 45 11.262 -9.596 12.617 1.00 0.00 C ATOM 715 NZ LYS A 45 12.673 -9.739 12.193 1.00 0.00 N ATOM 0 H LYS A 45 8.778 -8.344 7.016 1.00 0.00 H new ATOM 0 HA LYS A 45 8.642 -10.349 9.100 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.940 -7.882 8.645 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.922 -7.667 10.055 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.093 -10.256 10.329 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.387 -9.201 9.796 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.040 -7.680 11.654 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.521 -8.441 12.084 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.220 -9.226 13.641 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.773 -10.570 12.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.185 -10.326 12.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.710 -10.191 11.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.117 -8.800 12.141 1.00 0.00 H new ATOM 729 N GLU A 46 6.376 -7.972 8.953 1.00 0.00 N ATOM 730 CA GLU A 46 5.034 -7.618 9.384 1.00 0.00 C ATOM 731 C GLU A 46 3.997 -8.447 8.625 1.00 0.00 C ATOM 732 O GLU A 46 2.808 -8.396 8.936 1.00 0.00 O ATOM 733 CB GLU A 46 4.778 -6.120 9.203 1.00 0.00 C ATOM 734 CG GLU A 46 5.338 -5.322 10.382 1.00 0.00 C ATOM 735 CD GLU A 46 4.228 -4.549 11.098 1.00 0.00 C ATOM 736 OE1 GLU A 46 3.340 -4.038 10.382 1.00 0.00 O ATOM 737 OE2 GLU A 46 4.292 -4.488 12.344 1.00 0.00 O ATOM 0 H GLU A 46 6.821 -7.290 8.339 1.00 0.00 H new ATOM 0 HA GLU A 46 4.943 -7.843 10.447 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.239 -5.778 8.276 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.707 -5.939 9.112 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.826 -5.998 11.084 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.099 -4.627 10.027 1.00 0.00 H new ATOM 744 N ARG A 47 4.484 -9.192 7.643 1.00 0.00 N ATOM 745 CA ARG A 47 3.614 -10.031 6.837 1.00 0.00 C ATOM 746 C ARG A 47 2.193 -9.466 6.826 1.00 0.00 C ATOM 747 O ARG A 47 1.252 -10.132 7.255 1.00 0.00 O ATOM 748 CB ARG A 47 3.581 -11.464 7.372 1.00 0.00 C ATOM 749 CG ARG A 47 3.161 -11.491 8.843 1.00 0.00 C ATOM 750 CD ARG A 47 2.252 -12.687 9.132 1.00 0.00 C ATOM 751 NE ARG A 47 2.904 -13.938 8.684 1.00 0.00 N ATOM 752 CZ ARG A 47 2.379 -15.160 8.849 1.00 0.00 C ATOM 753 NH1 ARG A 47 1.190 -15.303 9.451 1.00 0.00 N ATOM 754 NH2 ARG A 47 3.042 -16.239 8.411 1.00 0.00 N ATOM 0 H ARG A 47 5.471 -9.232 7.388 1.00 0.00 H new ATOM 0 HA ARG A 47 4.012 -10.043 5.822 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.886 -12.061 6.781 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.565 -11.919 7.263 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.046 -11.541 9.477 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.642 -10.566 9.094 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.037 -12.741 10.199 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.298 -12.561 8.620 1.00 0.00 H new ATOM 0 HE ARG A 47 3.810 -13.866 8.221 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.685 -14.482 9.784 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.790 -16.233 9.577 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.946 -16.130 7.952 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.642 -17.169 8.537 1.00 0.00 H new ATOM 768 N PRO A 48 2.078 -8.209 6.318 1.00 0.00 N ATOM 769 CA PRO A 48 0.787 -7.547 6.245 1.00 0.00 C ATOM 770 C PRO A 48 -0.062 -8.122 5.109 1.00 0.00 C ATOM 771 O PRO A 48 0.468 -8.729 4.180 1.00 0.00 O ATOM 772 CB PRO A 48 1.111 -6.074 6.058 1.00 0.00 C ATOM 773 CG PRO A 48 2.549 -6.022 5.568 1.00 0.00 C ATOM 774 CD PRO A 48 3.170 -7.390 5.800 1.00 0.00 C ATOM 0 HA PRO A 48 0.185 -7.698 7.141 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.436 -5.614 5.336 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.997 -5.527 6.994 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.583 -5.762 4.510 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.107 -5.254 6.103 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.572 -7.805 4.875 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.995 -7.335 6.510 1.00 0.00 H new ATOM 782 N ASP A 49 -1.365 -7.910 5.221 1.00 0.00 N ATOM 783 CA ASP A 49 -2.292 -8.399 4.215 1.00 0.00 C ATOM 784 C ASP A 49 -2.657 -7.256 3.265 1.00 0.00 C ATOM 785 O ASP A 49 -3.453 -7.440 2.345 1.00 0.00 O ATOM 786 CB ASP A 49 -3.582 -8.911 4.857 1.00 0.00 C ATOM 787 CG ASP A 49 -3.567 -8.964 6.386 1.00 0.00 C ATOM 788 OD1 ASP A 49 -2.860 -9.848 6.917 1.00 0.00 O ATOM 789 OD2 ASP A 49 -4.262 -8.119 6.990 1.00 0.00 O ATOM 0 H ASP A 49 -1.801 -7.406 5.993 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.808 -9.215 3.679 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.406 -8.273 4.539 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.788 -9.911 4.476 1.00 0.00 H new ATOM 794 N LEU A 50 -2.059 -6.102 3.522 1.00 0.00 N ATOM 795 CA LEU A 50 -2.312 -4.930 2.702 1.00 0.00 C ATOM 796 C LEU A 50 -1.289 -3.844 3.042 1.00 0.00 C ATOM 797 O LEU A 50 -1.231 -3.376 4.178 1.00 0.00 O ATOM 798 CB LEU A 50 -3.765 -4.474 2.851 1.00 0.00 C ATOM 799 CG LEU A 50 -4.448 -3.980 1.575 1.00 0.00 C ATOM 800 CD1 LEU A 50 -3.442 -3.302 0.642 1.00 0.00 C ATOM 801 CD2 LEU A 50 -5.199 -5.117 0.879 1.00 0.00 C ATOM 0 H LEU A 50 -1.400 -5.954 4.286 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.184 -5.170 1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.346 -5.304 3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.800 -3.674 3.591 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.187 -3.229 1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.953 -2.960 -0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.992 -2.449 1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.663 -4.013 0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.675 -4.738 -0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.498 -5.909 0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.960 -5.515 1.550 1.00 0.00 H new ATOM 813 N VAL A 51 -0.508 -3.476 2.037 1.00 0.00 N ATOM 814 CA VAL A 51 0.510 -2.454 2.216 1.00 0.00 C ATOM 815 C VAL A 51 0.317 -1.360 1.164 1.00 0.00 C ATOM 816 O VAL A 51 -0.090 -1.641 0.038 1.00 0.00 O ATOM 817 CB VAL A 51 1.901 -3.089 2.171 1.00 0.00 C ATOM 818 CG1 VAL A 51 1.973 -4.179 1.100 1.00 0.00 C ATOM 819 CG2 VAL A 51 2.980 -2.027 1.947 1.00 0.00 C ATOM 0 H VAL A 51 -0.559 -3.867 1.096 1.00 0.00 H new ATOM 0 HA VAL A 51 0.414 -1.984 3.195 1.00 0.00 H new ATOM 0 HB VAL A 51 2.087 -3.558 3.137 1.00 0.00 H new ATOM 0 HG11 VAL A 51 2.973 -4.613 1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.242 -4.956 1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.756 -3.745 0.124 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.960 -2.504 1.919 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.798 -1.517 1.001 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.952 -1.303 2.761 1.00 0.00 H new ATOM 829 N LEU A 52 0.620 -0.135 1.569 1.00 0.00 N ATOM 830 CA LEU A 52 0.485 1.003 0.676 1.00 0.00 C ATOM 831 C LEU A 52 1.869 1.596 0.400 1.00 0.00 C ATOM 832 O LEU A 52 2.712 1.654 1.294 1.00 0.00 O ATOM 833 CB LEU A 52 -0.515 2.013 1.242 1.00 0.00 C ATOM 834 CG LEU A 52 -0.030 3.462 1.326 1.00 0.00 C ATOM 835 CD1 LEU A 52 -1.186 4.441 1.110 1.00 0.00 C ATOM 836 CD2 LEU A 52 0.701 3.721 2.645 1.00 0.00 C ATOM 0 H LEU A 52 0.958 0.094 2.504 1.00 0.00 H new ATOM 0 HA LEU A 52 0.075 0.688 -0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.415 1.987 0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.803 1.688 2.242 1.00 0.00 H new ATOM 0 HG LEU A 52 0.687 3.628 0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.814 5.463 1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.624 4.276 0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.945 4.282 1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.035 4.758 2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.025 3.530 3.479 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.564 3.059 2.719 1.00 0.00 H new ATOM 848 N LEU A 53 2.059 2.020 -0.840 1.00 0.00 N ATOM 849 CA LEU A 53 3.325 2.606 -1.245 1.00 0.00 C ATOM 850 C LEU A 53 3.068 3.695 -2.289 1.00 0.00 C ATOM 851 O LEU A 53 2.213 3.537 -3.158 1.00 0.00 O ATOM 852 CB LEU A 53 4.293 1.519 -1.716 1.00 0.00 C ATOM 853 CG LEU A 53 5.611 2.008 -2.319 1.00 0.00 C ATOM 854 CD1 LEU A 53 5.425 2.419 -3.781 1.00 0.00 C ATOM 855 CD2 LEU A 53 6.213 3.136 -1.479 1.00 0.00 C ATOM 0 H LEU A 53 1.357 1.969 -1.578 1.00 0.00 H new ATOM 0 HA LEU A 53 3.811 3.086 -0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.522 0.873 -0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.784 0.904 -2.458 1.00 0.00 H new ATOM 0 HG LEU A 53 6.321 1.181 -2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.377 2.763 -4.186 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.073 1.564 -4.357 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.693 3.224 -3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.149 3.465 -1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.515 3.972 -1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.404 2.775 -0.468 1.00 0.00 H new ATOM 867 N ASP A 54 3.825 4.776 -2.168 1.00 0.00 N ATOM 868 CA ASP A 54 3.689 5.891 -3.090 1.00 0.00 C ATOM 869 C ASP A 54 4.767 5.786 -4.172 1.00 0.00 C ATOM 870 O ASP A 54 5.792 5.137 -3.970 1.00 0.00 O ATOM 871 CB ASP A 54 3.872 7.228 -2.369 1.00 0.00 C ATOM 872 CG ASP A 54 4.057 8.438 -3.287 1.00 0.00 C ATOM 873 OD1 ASP A 54 3.362 8.474 -4.325 1.00 0.00 O ATOM 874 OD2 ASP A 54 4.890 9.299 -2.930 1.00 0.00 O ATOM 0 H ASP A 54 4.534 4.903 -1.446 1.00 0.00 H new ATOM 0 HA ASP A 54 2.690 5.850 -3.524 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.004 7.403 -1.733 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.738 7.154 -1.712 1.00 0.00 H new ATOM 879 N MET A 55 4.497 6.434 -5.295 1.00 0.00 N ATOM 880 CA MET A 55 5.430 6.421 -6.409 1.00 0.00 C ATOM 881 C MET A 55 6.534 7.463 -6.211 1.00 0.00 C ATOM 882 O MET A 55 7.697 7.206 -6.519 1.00 0.00 O ATOM 883 CB MET A 55 4.679 6.714 -7.709 1.00 0.00 C ATOM 884 CG MET A 55 4.117 5.429 -8.319 1.00 0.00 C ATOM 885 SD MET A 55 2.571 5.005 -7.535 1.00 0.00 S ATOM 886 CE MET A 55 3.180 4.247 -6.038 1.00 0.00 C ATOM 0 H MET A 55 3.646 6.972 -5.458 1.00 0.00 H new ATOM 0 HA MET A 55 5.891 5.435 -6.461 1.00 0.00 H new ATOM 0 HB2 MET A 55 3.866 7.414 -7.514 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.350 7.195 -8.420 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.966 5.561 -9.390 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.832 4.615 -8.196 1.00 0.00 H new ATOM 0 HE1 MET A 55 2.818 3.221 -5.977 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.270 4.248 -6.047 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.824 4.809 -5.175 1.00 0.00 H new ATOM 896 N LYS A 56 6.130 8.616 -5.698 1.00 0.00 N ATOM 897 CA LYS A 56 7.070 9.697 -5.456 1.00 0.00 C ATOM 898 C LYS A 56 7.853 9.408 -4.174 1.00 0.00 C ATOM 899 O LYS A 56 7.274 9.330 -3.092 1.00 0.00 O ATOM 900 CB LYS A 56 6.345 11.044 -5.442 1.00 0.00 C ATOM 901 CG LYS A 56 6.985 12.021 -6.431 1.00 0.00 C ATOM 902 CD LYS A 56 6.098 13.250 -6.640 1.00 0.00 C ATOM 903 CE LYS A 56 6.785 14.274 -7.545 1.00 0.00 C ATOM 904 NZ LYS A 56 6.596 15.643 -7.015 1.00 0.00 N ATOM 0 H LYS A 56 5.165 8.825 -5.443 1.00 0.00 H new ATOM 0 HA LYS A 56 7.796 9.760 -6.267 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.295 10.899 -5.697 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.374 11.466 -4.438 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.962 12.332 -6.060 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.151 11.521 -7.385 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.149 12.947 -7.082 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.869 13.706 -5.677 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.849 14.049 -7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.377 14.209 -8.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.068 16.326 -7.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.580 15.860 -6.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.007 15.706 -6.062 1.00 0.00 H new ATOM 918 N ILE A 57 9.159 9.256 -4.338 1.00 0.00 N ATOM 919 CA ILE A 57 10.028 8.977 -3.207 1.00 0.00 C ATOM 920 C ILE A 57 11.371 9.680 -3.416 1.00 0.00 C ATOM 921 O ILE A 57 11.678 10.124 -4.521 1.00 0.00 O ATOM 922 CB ILE A 57 10.152 7.468 -2.986 1.00 0.00 C ATOM 923 CG1 ILE A 57 9.546 6.691 -4.157 1.00 0.00 C ATOM 924 CG2 ILE A 57 9.537 7.058 -1.646 1.00 0.00 C ATOM 925 CD1 ILE A 57 9.892 5.203 -4.064 1.00 0.00 C ATOM 0 H ILE A 57 9.637 9.321 -5.237 1.00 0.00 H new ATOM 0 HA ILE A 57 9.598 9.376 -2.288 1.00 0.00 H new ATOM 0 HB ILE A 57 11.211 7.214 -2.945 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.463 6.817 -4.160 1.00 0.00 H new ATOM 0 HG13 ILE A 57 9.917 7.096 -5.098 1.00 0.00 H new ATOM 0 HG21 ILE A 57 9.638 5.981 -1.514 1.00 0.00 H new ATOM 0 HG22 ILE A 57 10.053 7.573 -0.836 1.00 0.00 H new ATOM 0 HG23 ILE A 57 8.481 7.327 -1.633 1.00 0.00 H new ATOM 0 HD11 ILE A 57 9.450 4.673 -4.908 1.00 0.00 H new ATOM 0 HD12 ILE A 57 10.975 5.079 -4.085 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.498 4.795 -3.133 1.00 0.00 H new ATOM 937 N PRO A 58 12.156 9.761 -2.308 1.00 0.00 N ATOM 938 CA PRO A 58 13.459 10.402 -2.359 1.00 0.00 C ATOM 939 C PRO A 58 14.483 9.509 -3.061 1.00 0.00 C ATOM 940 O PRO A 58 14.665 8.352 -2.684 1.00 0.00 O ATOM 941 CB PRO A 58 13.814 10.687 -0.909 1.00 0.00 C ATOM 942 CG PRO A 58 12.920 9.783 -0.076 1.00 0.00 C ATOM 943 CD PRO A 58 11.825 9.246 -0.983 1.00 0.00 C ATOM 0 HA PRO A 58 13.452 11.323 -2.942 1.00 0.00 H new ATOM 0 HB2 PRO A 58 14.867 10.480 -0.717 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.646 11.736 -0.664 1.00 0.00 H new ATOM 0 HG2 PRO A 58 13.498 8.963 0.351 1.00 0.00 H new ATOM 0 HG3 PRO A 58 12.488 10.337 0.758 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.804 8.156 -0.976 1.00 0.00 H new ATOM 0 HD3 PRO A 58 10.841 9.586 -0.660 1.00 0.00 H new ATOM 951 N GLY A 59 15.125 10.079 -4.070 1.00 0.00 N ATOM 952 CA GLY A 59 16.126 9.348 -4.829 1.00 0.00 C ATOM 953 C GLY A 59 15.539 8.063 -5.416 1.00 0.00 C ATOM 954 O GLY A 59 15.171 7.150 -4.677 1.00 0.00 O ATOM 0 H GLY A 59 14.972 11.039 -4.380 1.00 0.00 H new ATOM 0 HA2 GLY A 59 16.509 9.977 -5.632 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.970 9.105 -4.184 1.00 0.00 H new ATOM 958 N MET A 60 15.470 8.032 -6.738 1.00 0.00 N ATOM 959 CA MET A 60 14.934 6.874 -7.433 1.00 0.00 C ATOM 960 C MET A 60 13.429 6.736 -7.190 1.00 0.00 C ATOM 961 O MET A 60 13.000 6.466 -6.069 1.00 0.00 O ATOM 962 CB MET A 60 15.647 5.611 -6.946 1.00 0.00 C ATOM 963 CG MET A 60 15.813 4.601 -8.084 1.00 0.00 C ATOM 964 SD MET A 60 14.236 3.868 -8.484 1.00 0.00 S ATOM 965 CE MET A 60 13.948 2.920 -6.999 1.00 0.00 C ATOM 0 H MET A 60 15.777 8.791 -7.347 1.00 0.00 H new ATOM 0 HA MET A 60 15.100 7.007 -8.502 1.00 0.00 H new ATOM 0 HB2 MET A 60 16.625 5.874 -6.543 1.00 0.00 H new ATOM 0 HB3 MET A 60 15.078 5.159 -6.134 1.00 0.00 H new ATOM 0 HG2 MET A 60 16.227 5.096 -8.963 1.00 0.00 H new ATOM 0 HG3 MET A 60 16.521 3.825 -7.792 1.00 0.00 H new ATOM 0 HE1 MET A 60 13.327 2.056 -7.234 1.00 0.00 H new ATOM 0 HE2 MET A 60 14.901 2.582 -6.592 1.00 0.00 H new ATOM 0 HE3 MET A 60 13.440 3.543 -6.263 1.00 0.00 H new ATOM 975 N ASP A 61 12.670 6.928 -8.259 1.00 0.00 N ATOM 976 CA ASP A 61 11.223 6.829 -8.176 1.00 0.00 C ATOM 977 C ASP A 61 10.835 5.401 -7.789 1.00 0.00 C ATOM 978 O ASP A 61 11.701 4.548 -7.602 1.00 0.00 O ATOM 979 CB ASP A 61 10.571 7.148 -9.522 1.00 0.00 C ATOM 980 CG ASP A 61 11.417 6.802 -10.749 1.00 0.00 C ATOM 981 OD1 ASP A 61 11.998 5.695 -10.743 1.00 0.00 O ATOM 982 OD2 ASP A 61 11.464 7.652 -11.664 1.00 0.00 O ATOM 0 H ASP A 61 13.030 7.152 -9.187 1.00 0.00 H new ATOM 0 HA ASP A 61 10.878 7.545 -7.430 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.626 6.609 -9.588 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.334 8.212 -9.551 1.00 0.00 H new ATOM 987 N GLY A 62 9.532 5.184 -7.680 1.00 0.00 N ATOM 988 CA GLY A 62 9.019 3.873 -7.319 1.00 0.00 C ATOM 989 C GLY A 62 8.763 3.023 -8.565 1.00 0.00 C ATOM 990 O GLY A 62 8.553 1.815 -8.464 1.00 0.00 O ATOM 0 H GLY A 62 8.816 5.894 -7.835 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.732 3.366 -6.669 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.094 3.984 -6.753 1.00 0.00 H new ATOM 994 N ILE A 63 8.787 3.687 -9.711 1.00 0.00 N ATOM 995 CA ILE A 63 8.559 3.007 -10.975 1.00 0.00 C ATOM 996 C ILE A 63 9.362 1.705 -11.000 1.00 0.00 C ATOM 997 O ILE A 63 8.905 0.701 -11.545 1.00 0.00 O ATOM 998 CB ILE A 63 8.865 3.940 -12.148 1.00 0.00 C ATOM 999 CG1 ILE A 63 7.935 5.156 -12.138 1.00 0.00 C ATOM 1000 CG2 ILE A 63 8.808 3.186 -13.478 1.00 0.00 C ATOM 1001 CD1 ILE A 63 8.710 6.441 -12.438 1.00 0.00 C ATOM 0 H ILE A 63 8.961 4.689 -9.791 1.00 0.00 H new ATOM 0 HA ILE A 63 7.508 2.737 -11.078 1.00 0.00 H new ATOM 0 HB ILE A 63 9.883 4.312 -12.032 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.146 5.021 -12.878 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.449 5.239 -11.166 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.029 3.873 -14.295 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.543 2.381 -13.472 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.811 2.767 -13.616 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.026 7.290 -12.425 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.482 6.585 -11.682 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.175 6.365 -13.421 1.00 0.00 H new ATOM 1013 N GLU A 64 10.543 1.763 -10.404 1.00 0.00 N ATOM 1014 CA GLU A 64 11.413 0.601 -10.351 1.00 0.00 C ATOM 1015 C GLU A 64 11.090 -0.249 -9.120 1.00 0.00 C ATOM 1016 O GLU A 64 10.889 -1.457 -9.231 1.00 0.00 O ATOM 1017 CB GLU A 64 12.886 1.017 -10.359 1.00 0.00 C ATOM 1018 CG GLU A 64 13.310 1.504 -11.745 1.00 0.00 C ATOM 1019 CD GLU A 64 13.681 0.327 -12.650 1.00 0.00 C ATOM 1020 OE1 GLU A 64 12.837 -0.587 -12.767 1.00 0.00 O ATOM 1021 OE2 GLU A 64 14.801 0.368 -13.204 1.00 0.00 O ATOM 0 H GLU A 64 10.918 2.597 -9.953 1.00 0.00 H new ATOM 0 HA GLU A 64 11.235 -0.002 -11.241 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.048 1.808 -9.626 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.508 0.173 -10.060 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.499 2.074 -12.198 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.161 2.179 -11.653 1.00 0.00 H new ATOM 1028 N ILE A 65 11.050 0.417 -7.975 1.00 0.00 N ATOM 1029 CA ILE A 65 10.755 -0.262 -6.725 1.00 0.00 C ATOM 1030 C ILE A 65 9.560 -1.195 -6.926 1.00 0.00 C ATOM 1031 O ILE A 65 9.689 -2.412 -6.798 1.00 0.00 O ATOM 1032 CB ILE A 65 10.560 0.753 -5.597 1.00 0.00 C ATOM 1033 CG1 ILE A 65 11.890 1.079 -4.915 1.00 0.00 C ATOM 1034 CG2 ILE A 65 9.507 0.268 -4.598 1.00 0.00 C ATOM 1035 CD1 ILE A 65 12.516 -0.178 -4.307 1.00 0.00 C ATOM 0 H ILE A 65 11.217 1.419 -7.887 1.00 0.00 H new ATOM 0 HA ILE A 65 11.597 -0.884 -6.421 1.00 0.00 H new ATOM 0 HB ILE A 65 10.187 1.680 -6.033 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.576 1.518 -5.639 1.00 0.00 H new ATOM 0 HG13 ILE A 65 11.730 1.824 -4.135 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.388 1.008 -3.807 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.555 0.129 -5.111 1.00 0.00 H new ATOM 0 HG23 ILE A 65 9.827 -0.679 -4.164 1.00 0.00 H new ATOM 0 HD11 ILE A 65 13.460 0.081 -3.828 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.837 -0.600 -3.566 1.00 0.00 H new ATOM 0 HD13 ILE A 65 12.697 -0.911 -5.093 1.00 0.00 H new ATOM 1047 N LEU A 66 8.423 -0.590 -7.238 1.00 0.00 N ATOM 1048 CA LEU A 66 7.205 -1.352 -7.458 1.00 0.00 C ATOM 1049 C LEU A 66 7.481 -2.464 -8.471 1.00 0.00 C ATOM 1050 O LEU A 66 6.980 -3.578 -8.327 1.00 0.00 O ATOM 1051 CB LEU A 66 6.058 -0.423 -7.861 1.00 0.00 C ATOM 1052 CG LEU A 66 5.414 0.378 -6.728 1.00 0.00 C ATOM 1053 CD1 LEU A 66 5.223 -0.490 -5.483 1.00 0.00 C ATOM 1054 CD2 LEU A 66 6.217 1.645 -6.427 1.00 0.00 C ATOM 0 H LEU A 66 8.320 0.419 -7.344 1.00 0.00 H new ATOM 0 HA LEU A 66 6.884 -1.834 -6.535 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.430 0.278 -8.609 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.284 -1.021 -8.342 1.00 0.00 H new ATOM 0 HG LEU A 66 4.423 0.695 -7.054 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.764 0.104 -4.693 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.578 -1.335 -5.724 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.191 -0.858 -5.144 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.738 2.196 -5.618 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.230 1.372 -6.130 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.257 2.271 -7.318 1.00 0.00 H new ATOM 1066 N LYS A 67 8.278 -2.124 -9.473 1.00 0.00 N ATOM 1067 CA LYS A 67 8.627 -3.081 -10.510 1.00 0.00 C ATOM 1068 C LYS A 67 9.392 -4.248 -9.884 1.00 0.00 C ATOM 1069 O LYS A 67 8.922 -5.385 -9.904 1.00 0.00 O ATOM 1070 CB LYS A 67 9.383 -2.388 -11.646 1.00 0.00 C ATOM 1071 CG LYS A 67 8.613 -2.497 -12.964 1.00 0.00 C ATOM 1072 CD LYS A 67 9.565 -2.742 -14.136 1.00 0.00 C ATOM 1073 CE LYS A 67 9.527 -1.576 -15.126 1.00 0.00 C ATOM 1074 NZ LYS A 67 10.704 -1.617 -16.022 1.00 0.00 N ATOM 0 H LYS A 67 8.692 -1.199 -9.589 1.00 0.00 H new ATOM 0 HA LYS A 67 7.727 -3.496 -10.964 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.538 -1.338 -11.397 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.369 -2.838 -11.759 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.891 -3.311 -12.901 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.047 -1.581 -13.136 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.581 -2.874 -13.763 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.290 -3.666 -14.646 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.612 -1.622 -15.716 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.509 -0.631 -14.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.662 -0.819 -16.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.574 -1.550 -15.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.705 -2.511 -16.554 1.00 0.00 H new ATOM 1088 N ARG A 68 10.558 -3.928 -9.343 1.00 0.00 N ATOM 1089 CA ARG A 68 11.393 -4.936 -8.713 1.00 0.00 C ATOM 1090 C ARG A 68 10.621 -5.642 -7.597 1.00 0.00 C ATOM 1091 O ARG A 68 10.851 -6.820 -7.326 1.00 0.00 O ATOM 1092 CB ARG A 68 12.663 -4.314 -8.130 1.00 0.00 C ATOM 1093 CG ARG A 68 13.812 -4.366 -9.139 1.00 0.00 C ATOM 1094 CD ARG A 68 15.007 -3.544 -8.653 1.00 0.00 C ATOM 1095 NE ARG A 68 15.315 -2.473 -9.627 1.00 0.00 N ATOM 1096 CZ ARG A 68 16.505 -1.864 -9.723 1.00 0.00 C ATOM 1097 NH1 ARG A 68 17.505 -2.216 -8.904 1.00 0.00 N ATOM 1098 NH2 ARG A 68 16.694 -0.903 -10.638 1.00 0.00 N ATOM 0 H ARG A 68 10.944 -2.984 -9.328 1.00 0.00 H new ATOM 0 HA ARG A 68 11.675 -5.659 -9.479 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.469 -3.279 -7.848 1.00 0.00 H new ATOM 0 HB3 ARG A 68 12.948 -4.844 -7.221 1.00 0.00 H new ATOM 0 HG2 ARG A 68 14.117 -5.401 -9.295 1.00 0.00 H new ATOM 0 HG3 ARG A 68 13.472 -3.986 -10.102 1.00 0.00 H new ATOM 0 HD2 ARG A 68 14.787 -3.108 -7.678 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.875 -4.190 -8.524 1.00 0.00 H new ATOM 0 HE ARG A 68 14.575 -2.180 -10.265 1.00 0.00 H new ATOM 0 HH11 ARG A 68 17.361 -2.947 -8.208 1.00 0.00 H new ATOM 0 HH12 ARG A 68 18.411 -1.753 -8.977 1.00 0.00 H new ATOM 0 HH21 ARG A 68 15.932 -0.635 -11.261 1.00 0.00 H new ATOM 0 HH22 ARG A 68 17.600 -0.439 -10.711 1.00 0.00 H new ATOM 1112 N MET A 69 9.720 -4.893 -6.978 1.00 0.00 N ATOM 1113 CA MET A 69 8.912 -5.432 -5.898 1.00 0.00 C ATOM 1114 C MET A 69 8.039 -6.588 -6.390 1.00 0.00 C ATOM 1115 O MET A 69 8.035 -7.665 -5.795 1.00 0.00 O ATOM 1116 CB MET A 69 8.022 -4.328 -5.325 1.00 0.00 C ATOM 1117 CG MET A 69 8.552 -3.841 -3.974 1.00 0.00 C ATOM 1118 SD MET A 69 7.207 -3.687 -2.811 1.00 0.00 S ATOM 1119 CE MET A 69 6.645 -2.039 -3.204 1.00 0.00 C ATOM 0 H MET A 69 9.532 -3.916 -7.204 1.00 0.00 H new ATOM 0 HA MET A 69 9.580 -5.810 -5.124 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.977 -3.493 -6.024 1.00 0.00 H new ATOM 0 HB3 MET A 69 7.004 -4.701 -5.207 1.00 0.00 H new ATOM 0 HG2 MET A 69 9.296 -4.540 -3.592 1.00 0.00 H new ATOM 0 HG3 MET A 69 9.051 -2.880 -4.095 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.473 -1.484 -2.282 1.00 0.00 H new ATOM 0 HE2 MET A 69 7.402 -1.528 -3.799 1.00 0.00 H new ATOM 0 HE3 MET A 69 5.716 -2.097 -3.772 1.00 0.00 H new ATOM 1129 N LYS A 70 7.320 -6.326 -7.471 1.00 0.00 N ATOM 1130 CA LYS A 70 6.445 -7.331 -8.050 1.00 0.00 C ATOM 1131 C LYS A 70 7.292 -8.404 -8.737 1.00 0.00 C ATOM 1132 O LYS A 70 7.019 -9.596 -8.602 1.00 0.00 O ATOM 1133 CB LYS A 70 5.415 -6.677 -8.973 1.00 0.00 C ATOM 1134 CG LYS A 70 5.934 -6.603 -10.410 1.00 0.00 C ATOM 1135 CD LYS A 70 5.943 -7.988 -11.062 1.00 0.00 C ATOM 1136 CE LYS A 70 5.186 -7.973 -12.391 1.00 0.00 C ATOM 1137 NZ LYS A 70 5.831 -8.882 -13.365 1.00 0.00 N ATOM 0 H LYS A 70 7.325 -5.432 -7.962 1.00 0.00 H new ATOM 0 HA LYS A 70 5.869 -7.829 -7.270 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.486 -7.246 -8.947 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.185 -5.674 -8.614 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.308 -5.927 -10.992 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.942 -6.188 -10.416 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.971 -8.309 -11.229 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.488 -8.714 -10.388 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.152 -8.277 -12.231 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.162 -6.959 -12.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.305 -8.860 -14.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.811 -8.575 -13.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.832 -9.851 -12.988 1.00 0.00 H new ATOM 1151 N VAL A 71 8.303 -7.943 -9.458 1.00 0.00 N ATOM 1152 CA VAL A 71 9.192 -8.848 -10.166 1.00 0.00 C ATOM 1153 C VAL A 71 9.863 -9.787 -9.161 1.00 0.00 C ATOM 1154 O VAL A 71 10.211 -10.917 -9.498 1.00 0.00 O ATOM 1155 CB VAL A 71 10.195 -8.050 -11.001 1.00 0.00 C ATOM 1156 CG1 VAL A 71 11.036 -8.977 -11.882 1.00 0.00 C ATOM 1157 CG2 VAL A 71 9.485 -6.989 -11.844 1.00 0.00 C ATOM 0 H VAL A 71 8.526 -6.954 -9.567 1.00 0.00 H new ATOM 0 HA VAL A 71 8.629 -9.468 -10.864 1.00 0.00 H new ATOM 0 HB VAL A 71 10.869 -7.537 -10.315 1.00 0.00 H new ATOM 0 HG11 VAL A 71 11.741 -8.384 -12.465 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.585 -9.678 -11.253 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.382 -9.530 -12.556 1.00 0.00 H new ATOM 0 HG21 VAL A 71 10.221 -6.436 -12.428 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.777 -7.473 -12.517 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.951 -6.301 -11.189 1.00 0.00 H new ATOM 1167 N ILE A 72 10.025 -9.283 -7.947 1.00 0.00 N ATOM 1168 CA ILE A 72 10.649 -10.062 -6.890 1.00 0.00 C ATOM 1169 C ILE A 72 9.650 -11.096 -6.368 1.00 0.00 C ATOM 1170 O ILE A 72 10.019 -12.237 -6.092 1.00 0.00 O ATOM 1171 CB ILE A 72 11.206 -9.141 -5.803 1.00 0.00 C ATOM 1172 CG1 ILE A 72 12.600 -8.632 -6.176 1.00 0.00 C ATOM 1173 CG2 ILE A 72 11.195 -9.834 -4.439 1.00 0.00 C ATOM 1174 CD1 ILE A 72 13.635 -9.756 -6.089 1.00 0.00 C ATOM 0 H ILE A 72 9.735 -8.345 -7.671 1.00 0.00 H new ATOM 0 HA ILE A 72 11.506 -10.613 -7.277 1.00 0.00 H new ATOM 0 HB ILE A 72 10.555 -8.270 -5.727 1.00 0.00 H new ATOM 0 HG12 ILE A 72 12.584 -8.225 -7.187 1.00 0.00 H new ATOM 0 HG13 ILE A 72 12.885 -7.818 -5.509 1.00 0.00 H new ATOM 0 HG21 ILE A 72 11.596 -9.158 -3.684 1.00 0.00 H new ATOM 0 HG22 ILE A 72 10.172 -10.105 -4.177 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.809 -10.734 -4.483 1.00 0.00 H new ATOM 0 HD11 ILE A 72 14.617 -9.368 -6.359 1.00 0.00 H new ATOM 0 HD12 ILE A 72 13.666 -10.144 -5.071 1.00 0.00 H new ATOM 0 HD13 ILE A 72 13.360 -10.557 -6.775 1.00 0.00 H new ATOM 1186 N ASP A 73 8.404 -10.661 -6.248 1.00 0.00 N ATOM 1187 CA ASP A 73 7.349 -11.534 -5.763 1.00 0.00 C ATOM 1188 C ASP A 73 6.013 -11.098 -6.368 1.00 0.00 C ATOM 1189 O ASP A 73 5.569 -9.971 -6.154 1.00 0.00 O ATOM 1190 CB ASP A 73 7.226 -11.457 -4.240 1.00 0.00 C ATOM 1191 CG ASP A 73 8.056 -10.354 -3.579 1.00 0.00 C ATOM 1192 OD1 ASP A 73 7.869 -9.186 -3.981 1.00 0.00 O ATOM 1193 OD2 ASP A 73 8.859 -10.705 -2.688 1.00 0.00 O ATOM 0 H ASP A 73 8.102 -9.715 -6.479 1.00 0.00 H new ATOM 0 HA ASP A 73 7.597 -12.555 -6.053 1.00 0.00 H new ATOM 0 HB2 ASP A 73 6.178 -11.306 -3.982 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.523 -12.417 -3.818 1.00 0.00 H new ATOM 1198 N GLU A 74 5.410 -12.014 -7.112 1.00 0.00 N ATOM 1199 CA GLU A 74 4.134 -11.738 -7.749 1.00 0.00 C ATOM 1200 C GLU A 74 2.998 -11.842 -6.730 1.00 0.00 C ATOM 1201 O GLU A 74 1.913 -11.305 -6.948 1.00 0.00 O ATOM 1202 CB GLU A 74 3.897 -12.678 -8.932 1.00 0.00 C ATOM 1203 CG GLU A 74 3.358 -14.030 -8.459 1.00 0.00 C ATOM 1204 CD GLU A 74 3.196 -14.997 -9.633 1.00 0.00 C ATOM 1205 OE1 GLU A 74 4.241 -15.377 -10.204 1.00 0.00 O ATOM 1206 OE2 GLU A 74 2.031 -15.336 -9.933 1.00 0.00 O ATOM 0 H GLU A 74 5.782 -12.948 -7.288 1.00 0.00 H new ATOM 0 HA GLU A 74 4.156 -10.719 -8.136 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.190 -12.223 -9.626 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.830 -12.825 -9.477 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.037 -14.458 -7.722 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.397 -13.889 -7.964 1.00 0.00 H new ATOM 1213 N ASN A 75 3.286 -12.536 -5.639 1.00 0.00 N ATOM 1214 CA ASN A 75 2.302 -12.718 -4.586 1.00 0.00 C ATOM 1215 C ASN A 75 2.240 -11.452 -3.729 1.00 0.00 C ATOM 1216 O ASN A 75 1.303 -11.269 -2.952 1.00 0.00 O ATOM 1217 CB ASN A 75 2.680 -13.887 -3.675 1.00 0.00 C ATOM 1218 CG ASN A 75 4.180 -13.886 -3.374 1.00 0.00 C ATOM 1219 OD1 ASN A 75 4.723 -12.959 -2.796 1.00 0.00 O ATOM 1220 ND2 ASN A 75 4.817 -14.974 -3.797 1.00 0.00 N ATOM 0 H ASN A 75 4.187 -12.979 -5.461 1.00 0.00 H new ATOM 0 HA ASN A 75 1.340 -12.923 -5.055 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.119 -13.822 -2.743 1.00 0.00 H new ATOM 0 HB3 ASN A 75 2.402 -14.828 -4.150 1.00 0.00 H new ATOM 0 HD21 ASN A 75 5.821 -15.069 -3.644 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.302 -15.713 -4.275 1.00 0.00 H new ATOM 1227 N ILE A 76 3.249 -10.610 -3.899 1.00 0.00 N ATOM 1228 CA ILE A 76 3.320 -9.367 -3.150 1.00 0.00 C ATOM 1229 C ILE A 76 2.055 -8.547 -3.410 1.00 0.00 C ATOM 1230 O ILE A 76 1.608 -8.432 -4.550 1.00 0.00 O ATOM 1231 CB ILE A 76 4.615 -8.619 -3.476 1.00 0.00 C ATOM 1232 CG1 ILE A 76 4.943 -7.593 -2.390 1.00 0.00 C ATOM 1233 CG2 ILE A 76 4.545 -7.981 -4.865 1.00 0.00 C ATOM 1234 CD1 ILE A 76 5.786 -6.447 -2.954 1.00 0.00 C ATOM 0 H ILE A 76 4.024 -10.764 -4.544 1.00 0.00 H new ATOM 0 HA ILE A 76 3.355 -9.569 -2.079 1.00 0.00 H new ATOM 0 HB ILE A 76 5.431 -9.341 -3.494 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.019 -7.196 -1.969 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.482 -8.079 -1.576 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.478 -7.456 -5.072 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.392 -8.757 -5.615 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.716 -7.275 -4.900 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.005 -5.732 -2.161 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.720 -6.844 -3.353 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.235 -5.948 -3.751 1.00 0.00 H new ATOM 1246 N ARG A 77 1.513 -7.998 -2.333 1.00 0.00 N ATOM 1247 CA ARG A 77 0.307 -7.192 -2.429 1.00 0.00 C ATOM 1248 C ARG A 77 0.567 -5.783 -1.893 1.00 0.00 C ATOM 1249 O ARG A 77 0.763 -5.598 -0.693 1.00 0.00 O ATOM 1250 CB ARG A 77 -0.843 -7.825 -1.644 1.00 0.00 C ATOM 1251 CG ARG A 77 -1.792 -6.754 -1.103 1.00 0.00 C ATOM 1252 CD ARG A 77 -3.011 -7.391 -0.432 1.00 0.00 C ATOM 1253 NE ARG A 77 -2.594 -8.561 0.372 1.00 0.00 N ATOM 1254 CZ ARG A 77 -3.411 -9.564 0.720 1.00 0.00 C ATOM 1255 NH1 ARG A 77 -4.695 -9.545 0.336 1.00 0.00 N ATOM 1256 NH2 ARG A 77 -2.945 -10.586 1.451 1.00 0.00 N ATOM 0 H ARG A 77 1.887 -8.095 -1.389 1.00 0.00 H new ATOM 0 HA ARG A 77 0.027 -7.139 -3.481 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.393 -8.512 -2.288 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.444 -8.413 -0.818 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.265 -6.125 -0.386 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.117 -6.106 -1.917 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.508 -6.660 0.206 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.733 -7.698 -1.188 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.623 -8.607 0.681 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.049 -8.767 -0.221 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.318 -10.308 0.601 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.968 -10.600 1.743 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.568 -11.349 1.716 1.00 0.00 H new ATOM 1270 N VAL A 78 0.559 -4.825 -2.809 1.00 0.00 N ATOM 1271 CA VAL A 78 0.791 -3.438 -2.443 1.00 0.00 C ATOM 1272 C VAL A 78 -0.097 -2.534 -3.300 1.00 0.00 C ATOM 1273 O VAL A 78 -0.501 -2.915 -4.398 1.00 0.00 O ATOM 1274 CB VAL A 78 2.279 -3.106 -2.567 1.00 0.00 C ATOM 1275 CG1 VAL A 78 2.571 -2.380 -3.882 1.00 0.00 C ATOM 1276 CG2 VAL A 78 2.760 -2.285 -1.369 1.00 0.00 C ATOM 0 H VAL A 78 0.396 -4.982 -3.803 1.00 0.00 H new ATOM 0 HA VAL A 78 0.520 -3.267 -1.401 1.00 0.00 H new ATOM 0 HB VAL A 78 2.832 -4.045 -2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.636 -2.156 -3.945 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.284 -3.015 -4.720 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.002 -1.451 -3.919 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.821 -2.063 -1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.198 -1.353 -1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.605 -2.854 -0.452 1.00 0.00 H new ATOM 1286 N ILE A 79 -0.374 -1.353 -2.767 1.00 0.00 N ATOM 1287 CA ILE A 79 -1.206 -0.391 -3.470 1.00 0.00 C ATOM 1288 C ILE A 79 -0.339 0.776 -3.945 1.00 0.00 C ATOM 1289 O ILE A 79 0.564 1.213 -3.234 1.00 0.00 O ATOM 1290 CB ILE A 79 -2.386 0.036 -2.595 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -3.657 -0.725 -2.980 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -2.587 1.552 -2.648 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -4.303 -0.118 -4.227 1.00 0.00 C ATOM 0 H ILE A 79 -0.037 -1.040 -1.856 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.645 -0.844 -4.359 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.157 -0.222 -1.561 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.417 -1.772 -3.164 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.365 -0.701 -2.151 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.432 1.829 -2.018 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.687 2.051 -2.289 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.786 1.857 -3.675 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.204 -0.677 -4.479 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.564 0.922 -4.032 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.602 -0.166 -5.060 1.00 0.00 H new ATOM 1305 N ILE A 80 -0.643 1.248 -5.145 1.00 0.00 N ATOM 1306 CA ILE A 80 0.097 2.356 -5.724 1.00 0.00 C ATOM 1307 C ILE A 80 -0.801 3.594 -5.771 1.00 0.00 C ATOM 1308 O ILE A 80 -2.023 3.477 -5.836 1.00 0.00 O ATOM 1309 CB ILE A 80 0.673 1.962 -7.086 1.00 0.00 C ATOM 1310 CG1 ILE A 80 -0.391 2.057 -8.180 1.00 0.00 C ATOM 1311 CG2 ILE A 80 1.315 0.575 -7.029 1.00 0.00 C ATOM 1312 CD1 ILE A 80 -0.676 3.516 -8.543 1.00 0.00 C ATOM 0 H ILE A 80 -1.393 0.883 -5.733 1.00 0.00 H new ATOM 0 HA ILE A 80 0.955 2.608 -5.101 1.00 0.00 H new ATOM 0 HB ILE A 80 1.461 2.671 -7.342 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.056 1.517 -9.066 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.309 1.577 -7.842 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.716 0.319 -8.010 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.122 0.577 -6.296 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.565 -0.162 -6.741 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.436 3.555 -9.323 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.034 4.047 -7.661 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.239 3.987 -8.904 1.00 0.00 H new ATOM 1324 N MET A 81 -0.159 4.753 -5.737 1.00 0.00 N ATOM 1325 CA MET A 81 -0.884 6.011 -5.775 1.00 0.00 C ATOM 1326 C MET A 81 -0.137 7.049 -6.614 1.00 0.00 C ATOM 1327 O MET A 81 1.069 7.234 -6.451 1.00 0.00 O ATOM 1328 CB MET A 81 -1.064 6.540 -4.350 1.00 0.00 C ATOM 1329 CG MET A 81 -0.265 5.703 -3.350 1.00 0.00 C ATOM 1330 SD MET A 81 -0.137 6.569 -1.794 1.00 0.00 S ATOM 1331 CE MET A 81 0.996 5.491 -0.932 1.00 0.00 C ATOM 0 H MET A 81 0.855 4.847 -5.684 1.00 0.00 H new ATOM 0 HA MET A 81 -1.858 5.834 -6.232 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.740 7.580 -4.300 1.00 0.00 H new ATOM 0 HB3 MET A 81 -2.120 6.522 -4.082 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.751 4.739 -3.200 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.730 5.500 -3.746 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.855 5.600 0.143 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.805 4.457 -1.220 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.020 5.757 -1.193 1.00 0.00 H new ATOM 1341 N THR A 82 -0.883 7.700 -7.495 1.00 0.00 N ATOM 1342 CA THR A 82 -0.306 8.715 -8.360 1.00 0.00 C ATOM 1343 C THR A 82 -1.387 9.337 -9.246 1.00 0.00 C ATOM 1344 O THR A 82 -2.352 8.669 -9.616 1.00 0.00 O ATOM 1345 CB THR A 82 0.832 8.069 -9.153 1.00 0.00 C ATOM 1346 OG1 THR A 82 0.988 8.915 -10.288 1.00 0.00 O ATOM 1347 CG2 THR A 82 0.437 6.716 -9.748 1.00 0.00 C ATOM 0 H THR A 82 -1.882 7.544 -7.628 1.00 0.00 H new ATOM 0 HA THR A 82 0.109 9.539 -7.780 1.00 0.00 H new ATOM 0 HB THR A 82 1.699 7.941 -8.505 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.706 8.569 -10.858 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.280 6.301 -10.300 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.158 6.033 -8.946 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.409 6.848 -10.423 1.00 0.00 H new ATOM 1355 N ALA A 83 -1.189 10.609 -9.561 1.00 0.00 N ATOM 1356 CA ALA A 83 -2.135 11.328 -10.397 1.00 0.00 C ATOM 1357 C ALA A 83 -2.339 10.561 -11.705 1.00 0.00 C ATOM 1358 O ALA A 83 -1.491 9.763 -12.100 1.00 0.00 O ATOM 1359 CB ALA A 83 -1.630 12.754 -10.630 1.00 0.00 C ATOM 0 H ALA A 83 -0.388 11.160 -9.252 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.104 11.402 -9.903 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.340 13.293 -11.257 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.530 13.266 -9.673 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.660 12.720 -11.126 1.00 0.00 H new ATOM 1365 N TYR A 84 -3.470 10.831 -12.342 1.00 0.00 N ATOM 1366 CA TYR A 84 -3.796 10.176 -13.597 1.00 0.00 C ATOM 1367 C TYR A 84 -3.122 10.883 -14.775 1.00 0.00 C ATOM 1368 O TYR A 84 -3.719 11.027 -15.841 1.00 0.00 O ATOM 1369 CB TYR A 84 -5.314 10.291 -13.750 1.00 0.00 C ATOM 1370 CG TYR A 84 -5.848 11.718 -13.615 1.00 0.00 C ATOM 1371 CD1 TYR A 84 -5.902 12.542 -14.721 1.00 0.00 C ATOM 1372 CD2 TYR A 84 -6.275 12.182 -12.387 1.00 0.00 C ATOM 1373 CE1 TYR A 84 -6.404 13.886 -14.593 1.00 0.00 C ATOM 1374 CE2 TYR A 84 -6.777 13.526 -12.260 1.00 0.00 C ATOM 1375 CZ TYR A 84 -6.816 14.311 -13.369 1.00 0.00 C ATOM 1376 OH TYR A 84 -7.291 15.580 -13.249 1.00 0.00 O ATOM 0 H TYR A 84 -4.171 11.494 -12.012 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.453 9.141 -13.591 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -5.601 9.898 -14.725 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.793 9.663 -12.999 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -5.568 12.179 -15.682 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -6.233 11.537 -11.522 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.452 14.541 -15.450 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -7.115 13.902 -11.305 1.00 0.00 H new ATOM 0 HH TYR A 84 -7.550 15.746 -12.318 1.00 0.00 H new ATOM 1386 N GLY A 85 -1.888 11.304 -14.544 1.00 0.00 N ATOM 1387 CA GLY A 85 -1.126 11.992 -15.572 1.00 0.00 C ATOM 1388 C GLY A 85 -0.133 11.043 -16.246 1.00 0.00 C ATOM 1389 O GLY A 85 0.071 11.109 -17.457 1.00 0.00 O ATOM 0 H GLY A 85 -1.396 11.182 -13.659 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.805 12.404 -16.319 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.590 12.832 -15.131 1.00 0.00 H new ATOM 1393 N GLU A 86 0.460 10.183 -15.430 1.00 0.00 N ATOM 1394 CA GLU A 86 1.428 9.222 -15.932 1.00 0.00 C ATOM 1395 C GLU A 86 0.798 7.831 -16.020 1.00 0.00 C ATOM 1396 O GLU A 86 1.338 6.866 -15.482 1.00 0.00 O ATOM 1397 CB GLU A 86 2.683 9.201 -15.058 1.00 0.00 C ATOM 1398 CG GLU A 86 2.319 9.071 -13.577 1.00 0.00 C ATOM 1399 CD GLU A 86 3.528 8.629 -12.751 1.00 0.00 C ATOM 1400 OE1 GLU A 86 4.616 9.198 -12.989 1.00 0.00 O ATOM 1401 OE2 GLU A 86 3.338 7.733 -11.901 1.00 0.00 O ATOM 0 H GLU A 86 0.289 10.132 -14.426 1.00 0.00 H new ATOM 0 HA GLU A 86 1.728 9.528 -16.934 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.322 8.369 -15.353 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.256 10.115 -15.216 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.950 10.027 -13.205 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.511 8.349 -13.460 1.00 0.00 H new ATOM 1408 N LEU A 87 -0.337 7.772 -16.702 1.00 0.00 N ATOM 1409 CA LEU A 87 -1.046 6.515 -16.867 1.00 0.00 C ATOM 1410 C LEU A 87 -0.047 5.414 -17.228 1.00 0.00 C ATOM 1411 O LEU A 87 -0.175 4.280 -16.768 1.00 0.00 O ATOM 1412 CB LEU A 87 -2.183 6.670 -17.880 1.00 0.00 C ATOM 1413 CG LEU A 87 -3.219 7.751 -17.564 1.00 0.00 C ATOM 1414 CD1 LEU A 87 -3.640 8.493 -18.834 1.00 0.00 C ATOM 1415 CD2 LEU A 87 -4.419 7.160 -16.822 1.00 0.00 C ATOM 0 H LEU A 87 -0.783 8.575 -17.146 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.521 6.220 -15.931 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.747 6.886 -18.855 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.699 5.714 -17.966 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.758 8.483 -16.900 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.377 9.256 -18.582 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.768 8.966 -19.285 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.076 7.787 -19.540 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.140 7.949 -16.610 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.889 6.396 -17.441 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.084 6.713 -15.886 1.00 0.00 H new ATOM 1427 N ASP A 88 0.925 5.786 -18.047 1.00 0.00 N ATOM 1428 CA ASP A 88 1.945 4.845 -18.475 1.00 0.00 C ATOM 1429 C ASP A 88 2.455 4.065 -17.261 1.00 0.00 C ATOM 1430 O ASP A 88 2.518 2.837 -17.290 1.00 0.00 O ATOM 1431 CB ASP A 88 3.136 5.571 -19.104 1.00 0.00 C ATOM 1432 CG ASP A 88 3.094 5.682 -20.629 1.00 0.00 C ATOM 1433 OD1 ASP A 88 3.104 4.612 -21.277 1.00 0.00 O ATOM 1434 OD2 ASP A 88 3.051 6.833 -21.114 1.00 0.00 O ATOM 0 H ASP A 88 1.028 6.727 -18.426 1.00 0.00 H new ATOM 0 HA ASP A 88 1.499 4.177 -19.212 1.00 0.00 H new ATOM 0 HB2 ASP A 88 3.194 6.575 -18.683 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.051 5.052 -18.818 1.00 0.00 H new ATOM 1439 N MET A 89 2.804 4.810 -16.223 1.00 0.00 N ATOM 1440 CA MET A 89 3.305 4.204 -15.002 1.00 0.00 C ATOM 1441 C MET A 89 2.216 3.381 -14.310 1.00 0.00 C ATOM 1442 O MET A 89 2.402 2.193 -14.050 1.00 0.00 O ATOM 1443 CB MET A 89 3.798 5.299 -14.053 1.00 0.00 C ATOM 1444 CG MET A 89 4.737 4.723 -12.991 1.00 0.00 C ATOM 1445 SD MET A 89 3.806 3.768 -11.805 1.00 0.00 S ATOM 1446 CE MET A 89 5.108 3.338 -10.663 1.00 0.00 C ATOM 0 H MET A 89 2.750 5.828 -16.203 1.00 0.00 H new ATOM 0 HA MET A 89 4.128 3.538 -15.261 1.00 0.00 H new ATOM 0 HB2 MET A 89 4.316 6.071 -14.621 1.00 0.00 H new ATOM 0 HB3 MET A 89 2.946 5.777 -13.569 1.00 0.00 H new ATOM 0 HG2 MET A 89 5.492 4.095 -13.464 1.00 0.00 H new ATOM 0 HG3 MET A 89 5.266 5.531 -12.485 1.00 0.00 H new ATOM 0 HE1 MET A 89 4.671 2.974 -9.733 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.732 2.559 -11.100 1.00 0.00 H new ATOM 0 HE3 MET A 89 5.717 4.218 -10.458 1.00 0.00 H new ATOM 1456 N ILE A 90 1.104 4.045 -14.033 1.00 0.00 N ATOM 1457 CA ILE A 90 -0.015 3.390 -13.377 1.00 0.00 C ATOM 1458 C ILE A 90 -0.343 2.090 -14.115 1.00 0.00 C ATOM 1459 O ILE A 90 -0.457 1.033 -13.496 1.00 0.00 O ATOM 1460 CB ILE A 90 -1.203 4.347 -13.261 1.00 0.00 C ATOM 1461 CG1 ILE A 90 -0.811 5.618 -12.504 1.00 0.00 C ATOM 1462 CG2 ILE A 90 -2.408 3.651 -12.626 1.00 0.00 C ATOM 1463 CD1 ILE A 90 -1.063 6.863 -13.356 1.00 0.00 C ATOM 0 H ILE A 90 0.954 5.030 -14.251 1.00 0.00 H new ATOM 0 HA ILE A 90 0.248 3.120 -12.354 1.00 0.00 H new ATOM 0 HB ILE A 90 -1.498 4.648 -14.266 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.382 5.685 -11.578 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.242 5.570 -12.226 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.238 4.354 -12.555 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.703 2.801 -13.241 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.142 3.302 -11.628 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.776 7.752 -12.795 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.472 6.804 -14.270 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.121 6.921 -13.612 1.00 0.00 H new ATOM 1475 N GLN A 91 -0.485 2.211 -15.427 1.00 0.00 N ATOM 1476 CA GLN A 91 -0.797 1.059 -16.255 1.00 0.00 C ATOM 1477 C GLN A 91 0.135 -0.106 -15.917 1.00 0.00 C ATOM 1478 O GLN A 91 -0.325 -1.211 -15.633 1.00 0.00 O ATOM 1479 CB GLN A 91 -0.715 1.413 -17.741 1.00 0.00 C ATOM 1480 CG GLN A 91 -2.105 1.693 -18.316 1.00 0.00 C ATOM 1481 CD GLN A 91 -2.518 0.604 -19.308 1.00 0.00 C ATOM 1482 OE1 GLN A 91 -2.950 -0.476 -18.940 1.00 0.00 O ATOM 1483 NE2 GLN A 91 -2.360 0.946 -20.583 1.00 0.00 N ATOM 0 H GLN A 91 -0.390 3.089 -15.937 1.00 0.00 H new ATOM 0 HA GLN A 91 -1.821 0.752 -16.044 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -0.079 2.288 -17.875 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.249 0.593 -18.288 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -2.833 1.747 -17.507 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.108 2.663 -18.813 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -1.993 1.867 -20.822 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -2.606 0.287 -21.322 1.00 0.00 H new ATOM 1492 N GLU A 92 1.428 0.181 -15.958 1.00 0.00 N ATOM 1493 CA GLU A 92 2.428 -0.830 -15.660 1.00 0.00 C ATOM 1494 C GLU A 92 2.272 -1.323 -14.220 1.00 0.00 C ATOM 1495 O GLU A 92 2.562 -2.480 -13.922 1.00 0.00 O ATOM 1496 CB GLU A 92 3.840 -0.292 -15.905 1.00 0.00 C ATOM 1497 CG GLU A 92 4.590 -1.162 -16.916 1.00 0.00 C ATOM 1498 CD GLU A 92 5.486 -0.309 -17.815 1.00 0.00 C ATOM 1499 OE1 GLU A 92 6.639 -0.062 -17.398 1.00 0.00 O ATOM 1500 OE2 GLU A 92 4.999 0.079 -18.899 1.00 0.00 O ATOM 0 H GLU A 92 1.806 1.099 -16.193 1.00 0.00 H new ATOM 0 HA GLU A 92 2.274 -1.675 -16.331 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.784 0.733 -16.272 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.391 -0.264 -14.965 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.195 -1.900 -16.388 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.876 -1.714 -17.527 1.00 0.00 H new ATOM 1507 N SER A 93 1.813 -0.420 -13.366 1.00 0.00 N ATOM 1508 CA SER A 93 1.615 -0.749 -11.964 1.00 0.00 C ATOM 1509 C SER A 93 0.547 -1.835 -11.828 1.00 0.00 C ATOM 1510 O SER A 93 0.691 -2.755 -11.025 1.00 0.00 O ATOM 1511 CB SER A 93 1.217 0.490 -11.159 1.00 0.00 C ATOM 1512 OG SER A 93 -0.197 0.622 -11.046 1.00 0.00 O ATOM 0 H SER A 93 1.573 0.539 -13.617 1.00 0.00 H new ATOM 0 HA SER A 93 2.557 -1.122 -11.563 1.00 0.00 H new ATOM 0 HB2 SER A 93 1.656 0.432 -10.163 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.627 1.380 -11.637 1.00 0.00 H new ATOM 0 HG SER A 93 -0.542 1.117 -11.818 1.00 0.00 H new ATOM 1518 N LYS A 94 -0.502 -1.693 -12.626 1.00 0.00 N ATOM 1519 CA LYS A 94 -1.594 -2.652 -12.604 1.00 0.00 C ATOM 1520 C LYS A 94 -1.100 -3.993 -13.150 1.00 0.00 C ATOM 1521 O LYS A 94 -1.367 -5.042 -12.564 1.00 0.00 O ATOM 1522 CB LYS A 94 -2.810 -2.095 -13.348 1.00 0.00 C ATOM 1523 CG LYS A 94 -4.063 -2.159 -12.474 1.00 0.00 C ATOM 1524 CD LYS A 94 -5.267 -2.659 -13.276 1.00 0.00 C ATOM 1525 CE LYS A 94 -6.552 -1.959 -12.830 1.00 0.00 C ATOM 1526 NZ LYS A 94 -7.574 -2.023 -13.899 1.00 0.00 N ATOM 0 H LYS A 94 -0.619 -0.929 -13.291 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.927 -2.827 -11.581 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.620 -1.063 -13.642 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.972 -2.663 -14.264 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -3.886 -2.821 -11.626 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.278 -1.171 -12.067 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.101 -2.479 -14.338 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.372 -3.736 -13.147 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.934 -2.430 -11.924 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.340 -0.919 -12.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.440 -1.543 -13.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.212 -1.553 -14.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.789 -3.017 -14.115 1.00 0.00 H new ATOM 1540 N GLU A 95 -0.389 -3.917 -14.265 1.00 0.00 N ATOM 1541 CA GLU A 95 0.144 -5.112 -14.896 1.00 0.00 C ATOM 1542 C GLU A 95 1.330 -5.652 -14.094 1.00 0.00 C ATOM 1543 O GLU A 95 1.760 -6.786 -14.301 1.00 0.00 O ATOM 1544 CB GLU A 95 0.544 -4.834 -16.346 1.00 0.00 C ATOM 1545 CG GLU A 95 1.989 -4.336 -16.431 1.00 0.00 C ATOM 1546 CD GLU A 95 2.919 -5.435 -16.948 1.00 0.00 C ATOM 1547 OE1 GLU A 95 2.786 -6.573 -16.448 1.00 0.00 O ATOM 1548 OE2 GLU A 95 3.741 -5.113 -17.833 1.00 0.00 O ATOM 0 H GLU A 95 -0.169 -3.046 -14.748 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.637 -5.872 -14.908 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.433 -5.743 -16.938 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.127 -4.090 -16.776 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.041 -3.471 -17.092 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.322 -4.006 -15.447 1.00 0.00 H new ATOM 1555 N LEU A 96 1.825 -4.814 -13.195 1.00 0.00 N ATOM 1556 CA LEU A 96 2.953 -5.193 -12.360 1.00 0.00 C ATOM 1557 C LEU A 96 2.493 -6.221 -11.324 1.00 0.00 C ATOM 1558 O LEU A 96 3.313 -6.926 -10.738 1.00 0.00 O ATOM 1559 CB LEU A 96 3.607 -3.953 -11.748 1.00 0.00 C ATOM 1560 CG LEU A 96 4.973 -3.564 -12.317 1.00 0.00 C ATOM 1561 CD1 LEU A 96 4.940 -3.530 -13.846 1.00 0.00 C ATOM 1562 CD2 LEU A 96 5.457 -2.239 -11.724 1.00 0.00 C ATOM 0 H LEU A 96 1.466 -3.874 -13.026 1.00 0.00 H new ATOM 0 HA LEU A 96 3.728 -5.670 -12.960 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.929 -3.109 -11.875 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.715 -4.116 -10.676 1.00 0.00 H new ATOM 0 HG LEU A 96 5.694 -4.328 -12.027 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.923 -3.251 -14.225 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.671 -4.515 -14.226 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.202 -2.799 -14.178 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.430 -1.986 -12.145 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.742 -1.451 -11.962 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.544 -2.335 -10.642 1.00 0.00 H new ATOM 1574 N GLY A 97 1.183 -6.273 -11.131 1.00 0.00 N ATOM 1575 CA GLY A 97 0.604 -7.203 -10.176 1.00 0.00 C ATOM 1576 C GLY A 97 0.076 -6.465 -8.944 1.00 0.00 C ATOM 1577 O GLY A 97 0.006 -7.036 -7.857 1.00 0.00 O ATOM 0 H GLY A 97 0.506 -5.686 -11.619 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.207 -7.757 -10.648 1.00 0.00 H new ATOM 0 HA3 GLY A 97 1.354 -7.933 -9.873 1.00 0.00 H new ATOM 1581 N ALA A 98 -0.284 -5.208 -9.156 1.00 0.00 N ATOM 1582 CA ALA A 98 -0.804 -4.386 -8.076 1.00 0.00 C ATOM 1583 C ALA A 98 -2.317 -4.590 -7.970 1.00 0.00 C ATOM 1584 O ALA A 98 -2.987 -4.823 -8.974 1.00 0.00 O ATOM 1585 CB ALA A 98 -0.428 -2.924 -8.321 1.00 0.00 C ATOM 0 H ALA A 98 -0.226 -4.738 -10.060 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.364 -4.680 -7.123 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -0.818 -2.307 -7.511 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.657 -2.829 -8.359 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.855 -2.592 -9.267 1.00 0.00 H new ATOM 1591 N LEU A 99 -2.810 -4.494 -6.744 1.00 0.00 N ATOM 1592 CA LEU A 99 -4.231 -4.665 -6.493 1.00 0.00 C ATOM 1593 C LEU A 99 -5.016 -3.636 -7.310 1.00 0.00 C ATOM 1594 O LEU A 99 -5.940 -3.992 -8.040 1.00 0.00 O ATOM 1595 CB LEU A 99 -4.521 -4.608 -4.992 1.00 0.00 C ATOM 1596 CG LEU A 99 -3.514 -5.321 -4.087 1.00 0.00 C ATOM 1597 CD1 LEU A 99 -2.815 -6.459 -4.833 1.00 0.00 C ATOM 1598 CD2 LEU A 99 -2.514 -4.328 -3.491 1.00 0.00 C ATOM 0 H LEU A 99 -2.251 -4.300 -5.913 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.559 -5.651 -6.820 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.572 -3.562 -4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.507 -5.039 -4.816 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.059 -5.768 -3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.105 -6.949 -4.167 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.557 -7.184 -5.169 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.285 -6.057 -5.696 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.810 -4.860 -2.852 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.971 -3.832 -4.295 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.048 -3.584 -2.901 1.00 0.00 H new ATOM 1610 N THR A 100 -4.619 -2.381 -7.160 1.00 0.00 N ATOM 1611 CA THR A 100 -5.273 -1.299 -7.875 1.00 0.00 C ATOM 1612 C THR A 100 -4.416 -0.032 -7.827 1.00 0.00 C ATOM 1613 O THR A 100 -3.474 0.055 -7.040 1.00 0.00 O ATOM 1614 CB THR A 100 -6.668 -1.111 -7.275 1.00 0.00 C ATOM 1615 OG1 THR A 100 -7.233 -0.046 -8.035 1.00 0.00 O ATOM 1616 CG2 THR A 100 -6.622 -0.565 -5.846 1.00 0.00 C ATOM 0 H THR A 100 -3.852 -2.089 -6.554 1.00 0.00 H new ATOM 0 HA THR A 100 -5.387 -1.537 -8.933 1.00 0.00 H new ATOM 0 HB THR A 100 -7.197 -2.064 -7.283 1.00 0.00 H new ATOM 0 HG1 THR A 100 -8.140 0.141 -7.713 1.00 0.00 H new ATOM 0 HG21 THR A 100 -7.638 -0.450 -5.467 1.00 0.00 H new ATOM 0 HG22 THR A 100 -6.073 -1.259 -5.209 1.00 0.00 H new ATOM 0 HG23 THR A 100 -6.122 0.404 -5.842 1.00 0.00 H new ATOM 1624 N HIS A 101 -4.772 0.918 -8.678 1.00 0.00 N ATOM 1625 CA HIS A 101 -4.047 2.176 -8.742 1.00 0.00 C ATOM 1626 C HIS A 101 -4.988 3.329 -8.388 1.00 0.00 C ATOM 1627 O HIS A 101 -6.081 3.436 -8.941 1.00 0.00 O ATOM 1628 CB HIS A 101 -3.384 2.351 -10.110 1.00 0.00 C ATOM 1629 CG HIS A 101 -4.213 1.843 -11.265 1.00 0.00 C ATOM 1630 ND1 HIS A 101 -3.660 1.208 -12.363 1.00 0.00 N ATOM 1631 CD2 HIS A 101 -5.560 1.882 -11.480 1.00 0.00 C ATOM 1632 CE1 HIS A 101 -4.639 0.885 -13.196 1.00 0.00 C ATOM 1633 NE2 HIS A 101 -5.815 1.304 -12.647 1.00 0.00 N ATOM 0 H HIS A 101 -5.553 0.842 -9.329 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.240 2.173 -8.009 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.172 3.409 -10.266 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -2.426 1.830 -10.107 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -6.294 2.311 -10.814 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -4.525 0.379 -14.143 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -6.739 1.192 -13.065 1.00 0.00 H new ATOM 1641 N PHE A 102 -4.528 4.163 -7.467 1.00 0.00 N ATOM 1642 CA PHE A 102 -5.315 5.305 -7.032 1.00 0.00 C ATOM 1643 C PHE A 102 -4.753 6.608 -7.604 1.00 0.00 C ATOM 1644 O PHE A 102 -3.576 6.680 -7.955 1.00 0.00 O ATOM 1645 CB PHE A 102 -5.227 5.353 -5.505 1.00 0.00 C ATOM 1646 CG PHE A 102 -5.809 4.120 -4.810 1.00 0.00 C ATOM 1647 CD1 PHE A 102 -6.756 3.371 -5.434 1.00 0.00 C ATOM 1648 CD2 PHE A 102 -5.378 3.774 -3.567 1.00 0.00 C ATOM 1649 CE1 PHE A 102 -7.296 2.227 -4.788 1.00 0.00 C ATOM 1650 CE2 PHE A 102 -5.918 2.630 -2.921 1.00 0.00 C ATOM 1651 CZ PHE A 102 -6.865 1.881 -3.546 1.00 0.00 C ATOM 0 H PHE A 102 -3.621 4.071 -7.010 1.00 0.00 H new ATOM 0 HA PHE A 102 -6.344 5.201 -7.378 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -4.182 5.462 -5.215 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -5.751 6.240 -5.149 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -7.098 3.646 -6.421 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -4.625 4.369 -3.071 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.049 1.632 -5.284 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -5.577 2.355 -1.934 1.00 0.00 H new ATOM 0 HZ PHE A 102 -7.275 1.011 -3.055 1.00 0.00 H new ATOM 1661 N ALA A 103 -5.621 7.606 -7.680 1.00 0.00 N ATOM 1662 CA ALA A 103 -5.227 8.903 -8.204 1.00 0.00 C ATOM 1663 C ALA A 103 -5.079 9.892 -7.046 1.00 0.00 C ATOM 1664 O ALA A 103 -5.812 9.815 -6.062 1.00 0.00 O ATOM 1665 CB ALA A 103 -6.251 9.368 -9.241 1.00 0.00 C ATOM 0 H ALA A 103 -6.596 7.543 -7.387 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.262 8.837 -8.707 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.955 10.341 -9.634 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.297 8.646 -10.056 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.232 9.449 -8.773 1.00 0.00 H new ATOM 1671 N LYS A 104 -4.125 10.799 -7.202 1.00 0.00 N ATOM 1672 CA LYS A 104 -3.872 11.802 -6.182 1.00 0.00 C ATOM 1673 C LYS A 104 -5.135 11.998 -5.341 1.00 0.00 C ATOM 1674 O LYS A 104 -5.129 11.748 -4.137 1.00 0.00 O ATOM 1675 CB LYS A 104 -3.350 13.092 -6.818 1.00 0.00 C ATOM 1676 CG LYS A 104 -1.872 13.308 -6.484 1.00 0.00 C ATOM 1677 CD LYS A 104 -1.342 14.583 -7.144 1.00 0.00 C ATOM 1678 CE LYS A 104 -0.002 14.999 -6.534 1.00 0.00 C ATOM 1679 NZ LYS A 104 1.001 15.234 -7.597 1.00 0.00 N ATOM 0 H LYS A 104 -3.518 10.860 -8.020 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.087 11.467 -5.504 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.480 13.047 -7.899 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -3.935 13.940 -6.462 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.745 13.374 -5.403 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -1.290 12.450 -6.821 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.223 14.420 -8.215 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.067 15.388 -7.022 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.131 15.904 -5.941 1.00 0.00 H new ATOM 0 HE3 LYS A 104 0.353 14.222 -5.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.905 15.515 -7.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 1.136 14.361 -8.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.668 15.991 -8.228 1.00 0.00 H new ATOM 1693 N PRO A 105 -6.217 12.455 -6.027 1.00 0.00 N ATOM 1694 CA PRO A 105 -7.485 12.688 -5.357 1.00 0.00 C ATOM 1695 C PRO A 105 -8.194 11.367 -5.051 1.00 0.00 C ATOM 1696 O PRO A 105 -9.031 10.913 -5.829 1.00 0.00 O ATOM 1697 CB PRO A 105 -8.273 13.580 -6.303 1.00 0.00 C ATOM 1698 CG PRO A 105 -7.609 13.433 -7.662 1.00 0.00 C ATOM 1699 CD PRO A 105 -6.262 12.762 -7.454 1.00 0.00 C ATOM 0 HA PRO A 105 -7.365 13.168 -4.386 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -9.319 13.278 -6.345 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -8.254 14.617 -5.969 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -8.233 12.838 -8.329 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.481 14.408 -8.131 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.173 11.858 -8.056 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.443 13.420 -7.743 1.00 0.00 H new ATOM 1707 N PHE A 106 -7.832 10.787 -3.916 1.00 0.00 N ATOM 1708 CA PHE A 106 -8.423 9.528 -3.497 1.00 0.00 C ATOM 1709 C PHE A 106 -9.102 9.667 -2.133 1.00 0.00 C ATOM 1710 O PHE A 106 -8.737 10.533 -1.340 1.00 0.00 O ATOM 1711 CB PHE A 106 -7.282 8.514 -3.385 1.00 0.00 C ATOM 1712 CG PHE A 106 -5.923 9.140 -3.068 1.00 0.00 C ATOM 1713 CD1 PHE A 106 -5.775 9.923 -1.966 1.00 0.00 C ATOM 1714 CD2 PHE A 106 -4.862 8.912 -3.887 1.00 0.00 C ATOM 1715 CE1 PHE A 106 -4.513 10.504 -1.672 1.00 0.00 C ATOM 1716 CE2 PHE A 106 -3.600 9.493 -3.593 1.00 0.00 C ATOM 1717 CZ PHE A 106 -3.452 10.277 -2.491 1.00 0.00 C ATOM 0 H PHE A 106 -7.136 11.166 -3.274 1.00 0.00 H new ATOM 0 HA PHE A 106 -9.178 9.214 -4.218 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -7.528 7.790 -2.608 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -7.207 7.962 -4.322 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -6.617 10.103 -1.314 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -4.979 8.289 -4.761 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -4.396 11.127 -0.797 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -2.758 9.312 -4.244 1.00 0.00 H new ATOM 0 HZ PHE A 106 -2.492 10.719 -2.267 1.00 0.00 H new ATOM 1727 N ASP A 107 -10.077 8.800 -1.902 1.00 0.00 N ATOM 1728 CA ASP A 107 -10.811 8.816 -0.648 1.00 0.00 C ATOM 1729 C ASP A 107 -10.530 7.521 0.118 1.00 0.00 C ATOM 1730 O ASP A 107 -10.397 6.456 -0.483 1.00 0.00 O ATOM 1731 CB ASP A 107 -12.318 8.903 -0.892 1.00 0.00 C ATOM 1732 CG ASP A 107 -13.075 9.835 0.056 1.00 0.00 C ATOM 1733 OD1 ASP A 107 -12.416 10.363 0.977 1.00 0.00 O ATOM 1734 OD2 ASP A 107 -14.294 10.000 -0.163 1.00 0.00 O ATOM 0 H ASP A 107 -10.376 8.082 -2.562 1.00 0.00 H new ATOM 0 HA ASP A 107 -10.488 9.688 -0.079 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -12.486 9.237 -1.916 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -12.742 7.902 -0.809 1.00 0.00 H new ATOM 1739 N ILE A 108 -10.447 7.656 1.433 1.00 0.00 N ATOM 1740 CA ILE A 108 -10.185 6.510 2.288 1.00 0.00 C ATOM 1741 C ILE A 108 -11.427 5.618 2.334 1.00 0.00 C ATOM 1742 O ILE A 108 -11.317 4.401 2.474 1.00 0.00 O ATOM 1743 CB ILE A 108 -9.705 6.969 3.667 1.00 0.00 C ATOM 1744 CG1 ILE A 108 -8.269 6.512 3.928 1.00 0.00 C ATOM 1745 CG2 ILE A 108 -10.664 6.501 4.764 1.00 0.00 C ATOM 1746 CD1 ILE A 108 -8.159 4.987 3.867 1.00 0.00 C ATOM 0 H ILE A 108 -10.556 8.541 1.928 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.375 5.907 1.879 1.00 0.00 H new ATOM 0 HB ILE A 108 -9.703 8.059 3.683 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -7.602 6.958 3.190 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.944 6.865 4.907 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -10.300 6.840 5.734 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -11.655 6.917 4.582 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -10.720 5.412 4.758 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.128 4.689 4.056 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.809 4.545 4.622 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.462 4.640 2.879 1.00 0.00 H new ATOM 1758 N ASP A 109 -12.581 6.258 2.214 1.00 0.00 N ATOM 1759 CA ASP A 109 -13.842 5.538 2.240 1.00 0.00 C ATOM 1760 C ASP A 109 -13.932 4.631 1.012 1.00 0.00 C ATOM 1761 O ASP A 109 -14.398 3.496 1.106 1.00 0.00 O ATOM 1762 CB ASP A 109 -15.029 6.504 2.202 1.00 0.00 C ATOM 1763 CG ASP A 109 -14.990 7.617 3.251 1.00 0.00 C ATOM 1764 OD1 ASP A 109 -15.339 7.315 4.413 1.00 0.00 O ATOM 1765 OD2 ASP A 109 -14.612 8.745 2.868 1.00 0.00 O ATOM 0 H ASP A 109 -12.669 7.268 2.098 1.00 0.00 H new ATOM 0 HA ASP A 109 -13.879 4.957 3.161 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -15.076 6.959 1.213 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -15.948 5.933 2.334 1.00 0.00 H new ATOM 1770 N GLU A 110 -13.479 5.164 -0.113 1.00 0.00 N ATOM 1771 CA GLU A 110 -13.502 4.416 -1.359 1.00 0.00 C ATOM 1772 C GLU A 110 -12.451 3.305 -1.330 1.00 0.00 C ATOM 1773 O GLU A 110 -12.576 2.310 -2.043 1.00 0.00 O ATOM 1774 CB GLU A 110 -13.289 5.342 -2.558 1.00 0.00 C ATOM 1775 CG GLU A 110 -11.841 5.834 -2.620 1.00 0.00 C ATOM 1776 CD GLU A 110 -11.349 5.908 -4.067 1.00 0.00 C ATOM 1777 OE1 GLU A 110 -11.976 6.662 -4.842 1.00 0.00 O ATOM 1778 OE2 GLU A 110 -10.356 5.209 -4.364 1.00 0.00 O ATOM 0 H GLU A 110 -13.094 6.105 -0.188 1.00 0.00 H new ATOM 0 HA GLU A 110 -14.485 3.957 -1.467 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -13.537 4.814 -3.479 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -13.964 6.195 -2.488 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -11.767 6.818 -2.156 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -11.200 5.163 -2.048 1.00 0.00 H new ATOM 1785 N ILE A 111 -11.440 3.511 -0.499 1.00 0.00 N ATOM 1786 CA ILE A 111 -10.369 2.539 -0.369 1.00 0.00 C ATOM 1787 C ILE A 111 -10.869 1.341 0.442 1.00 0.00 C ATOM 1788 O ILE A 111 -10.476 0.204 0.183 1.00 0.00 O ATOM 1789 CB ILE A 111 -9.117 3.196 0.215 1.00 0.00 C ATOM 1790 CG1 ILE A 111 -8.196 3.705 -0.896 1.00 0.00 C ATOM 1791 CG2 ILE A 111 -8.392 2.245 1.170 1.00 0.00 C ATOM 1792 CD1 ILE A 111 -7.158 4.684 -0.343 1.00 0.00 C ATOM 0 H ILE A 111 -11.340 4.337 0.091 1.00 0.00 H new ATOM 0 HA ILE A 111 -10.076 2.162 -1.349 1.00 0.00 H new ATOM 0 HB ILE A 111 -9.427 4.063 0.799 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -7.691 2.863 -1.369 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -8.789 4.196 -1.668 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -7.506 2.737 1.571 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -9.058 1.974 1.989 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -8.095 1.345 0.631 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -6.517 5.030 -1.153 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -7.666 5.537 0.107 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -6.551 4.183 0.411 1.00 0.00 H new ATOM 1804 N ARG A 112 -11.728 1.636 1.406 1.00 0.00 N ATOM 1805 CA ARG A 112 -12.286 0.598 2.255 1.00 0.00 C ATOM 1806 C ARG A 112 -13.112 -0.383 1.422 1.00 0.00 C ATOM 1807 O ARG A 112 -13.370 -1.506 1.852 1.00 0.00 O ATOM 1808 CB ARG A 112 -13.171 1.198 3.350 1.00 0.00 C ATOM 1809 CG ARG A 112 -12.335 1.991 4.357 1.00 0.00 C ATOM 1810 CD ARG A 112 -13.156 2.332 5.602 1.00 0.00 C ATOM 1811 NE ARG A 112 -12.776 1.439 6.719 1.00 0.00 N ATOM 1812 CZ ARG A 112 -13.314 1.499 7.945 1.00 0.00 C ATOM 1813 NH1 ARG A 112 -14.258 2.410 8.219 1.00 0.00 N ATOM 1814 NH2 ARG A 112 -12.908 0.648 8.898 1.00 0.00 N ATOM 0 H ARG A 112 -12.051 2.580 1.618 1.00 0.00 H new ATOM 0 HA ARG A 112 -11.455 0.071 2.724 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -13.920 1.850 2.901 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -13.709 0.402 3.865 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -11.457 1.411 4.643 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -11.974 2.909 3.893 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -12.990 3.372 5.884 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -14.219 2.226 5.387 1.00 0.00 H new ATOM 0 HE ARG A 112 -12.060 0.734 6.545 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -14.567 3.058 7.494 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -14.667 2.455 9.152 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -12.189 -0.045 8.690 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -13.318 0.694 9.831 1.00 0.00 H new ATOM 1828 N ASP A 113 -13.506 0.077 0.243 1.00 0.00 N ATOM 1829 CA ASP A 113 -14.298 -0.746 -0.655 1.00 0.00 C ATOM 1830 C ASP A 113 -13.390 -1.776 -1.331 1.00 0.00 C ATOM 1831 O ASP A 113 -13.742 -2.950 -1.428 1.00 0.00 O ATOM 1832 CB ASP A 113 -14.948 0.102 -1.750 1.00 0.00 C ATOM 1833 CG ASP A 113 -16.466 -0.048 -1.869 1.00 0.00 C ATOM 1834 OD1 ASP A 113 -17.143 0.209 -0.850 1.00 0.00 O ATOM 1835 OD2 ASP A 113 -16.915 -0.416 -2.976 1.00 0.00 O ATOM 0 H ASP A 113 -13.291 1.009 -0.111 1.00 0.00 H new ATOM 0 HA ASP A 113 -15.076 -1.234 -0.067 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -14.715 1.150 -1.563 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -14.496 -0.159 -2.707 1.00 0.00 H new ATOM 1840 N ALA A 114 -12.239 -1.298 -1.780 1.00 0.00 N ATOM 1841 CA ALA A 114 -11.278 -2.162 -2.443 1.00 0.00 C ATOM 1842 C ALA A 114 -10.547 -3.005 -1.396 1.00 0.00 C ATOM 1843 O ALA A 114 -10.000 -4.060 -1.713 1.00 0.00 O ATOM 1844 CB ALA A 114 -10.319 -1.313 -3.280 1.00 0.00 C ATOM 0 H ALA A 114 -11.950 -0.323 -1.698 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.785 -2.847 -3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -9.598 -1.962 -3.777 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -10.884 -0.757 -4.029 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -9.791 -0.614 -2.631 1.00 0.00 H new ATOM 1850 N VAL A 115 -10.563 -2.508 -0.167 1.00 0.00 N ATOM 1851 CA VAL A 115 -9.909 -3.202 0.929 1.00 0.00 C ATOM 1852 C VAL A 115 -10.847 -4.278 1.477 1.00 0.00 C ATOM 1853 O VAL A 115 -10.399 -5.347 1.889 1.00 0.00 O ATOM 1854 CB VAL A 115 -9.465 -2.197 1.994 1.00 0.00 C ATOM 1855 CG1 VAL A 115 -9.383 -2.858 3.371 1.00 0.00 C ATOM 1856 CG2 VAL A 115 -8.131 -1.550 1.616 1.00 0.00 C ATOM 0 H VAL A 115 -11.019 -1.633 0.093 1.00 0.00 H new ATOM 0 HA VAL A 115 -9.007 -3.704 0.579 1.00 0.00 H new ATOM 0 HB VAL A 115 -10.217 -1.409 2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -9.065 -2.122 4.110 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -10.363 -3.248 3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -8.662 -3.675 3.340 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -7.839 -0.840 2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -7.366 -2.321 1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -8.237 -1.027 0.665 1.00 0.00 H new