USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 876 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 106 LYS NZ :NH3+ 177:sc= 1.23 (180deg=0) USER MOD Set 1.2: A 110 THR OG1 : rot 72:sc= 2.27 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.262) USER MOD Single : A 15 CYS SG : rot 68:sc= -0.815 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -141:sc= -1.45 (180deg=-5.28!) USER MOD Single : A 20 THR OG1 : rot 76:sc= 1.09 USER MOD Single : A 22 MET CE :methyl -140:sc= -1.93! (180deg=-2.6!) USER MOD Single : A 24 THR OG1 : rot -5:sc= 1.15 USER MOD Single : A 25 HIS : no HD1:sc= 0.0259 K(o=0.026,f=-1.9) USER MOD Single : A 36 ASN :FLIP amide:sc= -2.92! C(o=-4.7!,f=-2.9!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.881 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -160:sc= -0.0513 (180deg=-0.376) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -163:sc= -0.25 (180deg=-0.471) USER MOD Single : A 51 MET CE :methyl 157:sc= -0.214 (180deg=-0.877) USER MOD Single : A 54 SER OG : rot 150:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 160:sc= -0.021 (180deg=-0.233) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -45:sc= 0.0396 USER MOD Single : A 64 GLN : amide:sc= -0.0687 K(o=-0.069,f=-2.8!) USER MOD Single : A 65 TYR OH : rot 150:sc= -0.088 USER MOD Single : A 67 ASN :FLIP amide:sc= -2.25! C(o=-3.9!,f=-2.2!) USER MOD Single : A 70 THR OG1 : rot -45:sc= -0.308 USER MOD Single : A 81 ASN : amide:sc= -2.83 K(o=-2.8,f=-17!) USER MOD Single : A 82 CYS SG : rot 158:sc= 1.45 USER MOD Single : A 84 THR OG1 : rot 4:sc= 0.00158 USER MOD Single : A 86 ASN : amide:sc= -0.805 X(o=-0.81,f=-0.5) USER MOD Single : A 90 SER OG : rot -64:sc= 1.62 USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 ASN : amide:sc= 0.0396 K(o=0.04,f=-2.5!) USER MOD Single : A 99 MET CE :methyl -109:sc= -2.41 (180deg=-7.51!) USER MOD Single : A 101 LYS NZ :NH3+ -133:sc= 0.00566 (180deg=-0.243) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 112 LYS NZ :NH3+ -158:sc= -0.0471 (180deg=-0.378) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.208 20.151 -10.737 1.00 0.00 N ATOM 2 CA GLY A 1 -6.303 21.251 -11.013 1.00 0.00 C ATOM 3 C GLY A 1 -5.312 21.481 -9.889 1.00 0.00 C ATOM 4 O GLY A 1 -4.613 20.559 -9.469 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.865 20.034 -11.534 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.661 19.276 -10.607 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.747 20.354 -9.871 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.760 21.048 -11.936 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.881 22.161 -11.176 1.00 0.00 H new ATOM 8 N SER A 2 -5.248 22.717 -9.402 1.00 0.00 N ATOM 9 CA SER A 2 -4.331 23.067 -8.324 1.00 0.00 C ATOM 10 C SER A 2 -5.081 23.240 -7.007 1.00 0.00 C ATOM 11 O SER A 2 -6.091 23.939 -6.943 1.00 0.00 O ATOM 12 CB SER A 2 -3.575 24.353 -8.667 1.00 0.00 C ATOM 13 OG SER A 2 -2.511 24.576 -7.758 1.00 0.00 O ATOM 0 H SER A 2 -5.820 23.492 -9.737 1.00 0.00 H new ATOM 0 HA SER A 2 -3.616 22.253 -8.210 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.183 24.289 -9.682 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.261 25.200 -8.643 1.00 0.00 H new ATOM 0 HG SER A 2 -2.042 25.402 -7.999 1.00 0.00 H new ATOM 19 N SER A 3 -4.577 22.597 -5.958 1.00 0.00 N ATOM 20 CA SER A 3 -5.201 22.675 -4.642 1.00 0.00 C ATOM 21 C SER A 3 -4.779 23.949 -3.917 1.00 0.00 C ATOM 22 O SER A 3 -5.612 24.666 -3.363 1.00 0.00 O ATOM 23 CB SER A 3 -4.829 21.451 -3.804 1.00 0.00 C ATOM 24 OG SER A 3 -5.661 21.342 -2.662 1.00 0.00 O ATOM 0 H SER A 3 -3.739 22.017 -5.994 1.00 0.00 H new ATOM 0 HA SER A 3 -6.282 22.696 -4.780 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.919 20.550 -4.411 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.787 21.523 -3.493 1.00 0.00 H new ATOM 0 HG SER A 3 -5.404 20.551 -2.144 1.00 0.00 H new ATOM 30 N GLY A 4 -3.479 24.225 -3.924 1.00 0.00 N ATOM 31 CA GLY A 4 -2.968 25.412 -3.264 1.00 0.00 C ATOM 32 C GLY A 4 -1.617 25.178 -2.616 1.00 0.00 C ATOM 33 O GLY A 4 -0.583 25.236 -3.281 1.00 0.00 O ATOM 0 H GLY A 4 -2.770 23.647 -4.375 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.884 26.220 -3.990 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.680 25.737 -2.506 1.00 0.00 H new ATOM 37 N SER A 5 -1.625 24.916 -1.313 1.00 0.00 N ATOM 38 CA SER A 5 -0.391 24.679 -0.573 1.00 0.00 C ATOM 39 C SER A 5 -0.662 23.864 0.688 1.00 0.00 C ATOM 40 O SER A 5 -1.562 24.184 1.466 1.00 0.00 O ATOM 41 CB SER A 5 0.270 26.008 -0.204 1.00 0.00 C ATOM 42 OG SER A 5 1.648 25.831 0.075 1.00 0.00 O ATOM 0 H SER A 5 -2.472 24.862 -0.748 1.00 0.00 H new ATOM 0 HA SER A 5 0.285 24.111 -1.213 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.150 26.718 -1.023 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.228 26.437 0.665 1.00 0.00 H new ATOM 0 HG SER A 5 2.048 26.695 0.307 1.00 0.00 H new ATOM 48 N SER A 6 0.124 22.811 0.885 1.00 0.00 N ATOM 49 CA SER A 6 -0.032 21.947 2.050 1.00 0.00 C ATOM 50 C SER A 6 1.126 22.135 3.024 1.00 0.00 C ATOM 51 O SER A 6 2.137 22.752 2.693 1.00 0.00 O ATOM 52 CB SER A 6 -0.117 20.482 1.617 1.00 0.00 C ATOM 53 OG SER A 6 -1.397 20.179 1.090 1.00 0.00 O ATOM 0 H SER A 6 0.876 22.535 0.253 1.00 0.00 H new ATOM 0 HA SER A 6 -0.957 22.223 2.555 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.646 20.277 0.867 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.091 19.835 2.469 1.00 0.00 H new ATOM 0 HG SER A 6 -1.425 19.238 0.819 1.00 0.00 H new ATOM 59 N GLY A 7 0.970 21.597 4.231 1.00 0.00 N ATOM 60 CA GLY A 7 2.009 21.716 5.236 1.00 0.00 C ATOM 61 C GLY A 7 1.521 21.342 6.621 1.00 0.00 C ATOM 62 O GLY A 7 2.049 20.420 7.245 1.00 0.00 O ATOM 0 H GLY A 7 0.142 21.081 4.530 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.848 21.075 4.964 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.381 22.740 5.250 1.00 0.00 H new ATOM 66 N ASP A 8 0.513 22.058 7.106 1.00 0.00 N ATOM 67 CA ASP A 8 -0.046 21.796 8.427 1.00 0.00 C ATOM 68 C ASP A 8 -0.215 20.298 8.658 1.00 0.00 C ATOM 69 O ASP A 8 -0.847 19.604 7.862 1.00 0.00 O ATOM 70 CB ASP A 8 -1.393 22.504 8.584 1.00 0.00 C ATOM 71 CG ASP A 8 -1.293 23.998 8.348 1.00 0.00 C ATOM 72 OD1 ASP A 8 -0.532 24.664 9.081 1.00 0.00 O ATOM 73 OD2 ASP A 8 -1.976 24.502 7.432 1.00 0.00 O ATOM 0 H ASP A 8 0.066 22.825 6.604 1.00 0.00 H new ATOM 0 HA ASP A 8 0.649 22.184 9.172 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.109 22.076 7.883 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.781 22.323 9.586 1.00 0.00 H new ATOM 78 N SER A 9 0.357 19.805 9.753 1.00 0.00 N ATOM 79 CA SER A 9 0.274 18.388 10.087 1.00 0.00 C ATOM 80 C SER A 9 -1.091 17.820 9.711 1.00 0.00 C ATOM 81 O SER A 9 -1.211 16.652 9.342 1.00 0.00 O ATOM 82 CB SER A 9 0.532 18.179 11.580 1.00 0.00 C ATOM 83 OG SER A 9 -0.226 19.086 12.361 1.00 0.00 O ATOM 0 H SER A 9 0.883 20.366 10.423 1.00 0.00 H new ATOM 0 HA SER A 9 1.038 17.860 9.516 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.278 17.156 11.856 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.593 18.312 11.791 1.00 0.00 H new ATOM 0 HG SER A 9 -0.044 18.930 13.311 1.00 0.00 H new ATOM 89 N LYS A 10 -2.119 18.656 9.807 1.00 0.00 N ATOM 90 CA LYS A 10 -3.477 18.241 9.476 1.00 0.00 C ATOM 91 C LYS A 10 -3.477 17.258 8.310 1.00 0.00 C ATOM 92 O LYS A 10 -4.129 16.215 8.364 1.00 0.00 O ATOM 93 CB LYS A 10 -4.336 19.459 9.129 1.00 0.00 C ATOM 94 CG LYS A 10 -5.687 19.102 8.534 1.00 0.00 C ATOM 95 CD LYS A 10 -6.288 20.272 7.774 1.00 0.00 C ATOM 96 CE LYS A 10 -7.787 20.101 7.582 1.00 0.00 C ATOM 97 NZ LYS A 10 -8.105 19.367 6.326 1.00 0.00 N ATOM 0 H LYS A 10 -2.037 19.626 10.112 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.900 17.743 10.349 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.491 20.052 10.030 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.792 20.087 8.423 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.577 18.250 7.864 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.367 18.796 9.329 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.093 21.198 8.315 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.804 20.363 6.802 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.203 19.562 8.433 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.265 21.081 7.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.060 18.962 6.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.063 20.023 5.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.414 18.603 6.186 1.00 0.00 H new ATOM 111 N ASP A 11 -2.740 17.596 7.257 1.00 0.00 N ATOM 112 CA ASP A 11 -2.653 16.742 6.079 1.00 0.00 C ATOM 113 C ASP A 11 -2.212 15.332 6.461 1.00 0.00 C ATOM 114 O ASP A 11 -2.827 14.346 6.054 1.00 0.00 O ATOM 115 CB ASP A 11 -1.677 17.337 5.062 1.00 0.00 C ATOM 116 CG ASP A 11 -0.555 18.113 5.723 1.00 0.00 C ATOM 117 OD1 ASP A 11 -0.022 17.632 6.745 1.00 0.00 O ATOM 118 OD2 ASP A 11 -0.208 19.200 5.217 1.00 0.00 O ATOM 0 H ASP A 11 -2.194 18.456 7.196 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.644 16.684 5.629 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.253 16.535 4.457 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.220 17.995 4.384 1.00 0.00 H new ATOM 123 N LEU A 12 -1.142 15.245 7.243 1.00 0.00 N ATOM 124 CA LEU A 12 -0.617 13.956 7.680 1.00 0.00 C ATOM 125 C LEU A 12 -1.668 13.178 8.466 1.00 0.00 C ATOM 126 O LEU A 12 -1.834 11.974 8.275 1.00 0.00 O ATOM 127 CB LEU A 12 0.633 14.156 8.538 1.00 0.00 C ATOM 128 CG LEU A 12 1.949 14.323 7.778 1.00 0.00 C ATOM 129 CD1 LEU A 12 2.319 13.033 7.062 1.00 0.00 C ATOM 130 CD2 LEU A 12 1.852 15.475 6.788 1.00 0.00 C ATOM 0 H LEU A 12 -0.621 16.051 7.588 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.353 13.380 6.793 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.483 15.036 9.163 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.730 13.302 9.208 1.00 0.00 H new ATOM 0 HG LEU A 12 2.734 14.554 8.498 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.258 13.171 6.526 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.431 12.231 7.792 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.533 12.771 6.354 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.798 15.579 6.256 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.054 15.274 6.073 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.634 16.398 7.325 1.00 0.00 H new ATOM 142 N ALA A 13 -2.375 13.875 9.349 1.00 0.00 N ATOM 143 CA ALA A 13 -3.413 13.251 10.161 1.00 0.00 C ATOM 144 C ALA A 13 -4.395 12.472 9.292 1.00 0.00 C ATOM 145 O ALA A 13 -4.763 11.342 9.614 1.00 0.00 O ATOM 146 CB ALA A 13 -4.147 14.303 10.979 1.00 0.00 C ATOM 0 H ALA A 13 -2.248 14.872 9.521 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.934 12.547 10.842 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.919 13.823 11.580 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.441 14.812 11.635 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.608 15.029 10.309 1.00 0.00 H new ATOM 152 N LEU A 14 -4.817 13.084 8.191 1.00 0.00 N ATOM 153 CA LEU A 14 -5.758 12.448 7.275 1.00 0.00 C ATOM 154 C LEU A 14 -5.142 11.209 6.634 1.00 0.00 C ATOM 155 O LEU A 14 -5.752 10.139 6.615 1.00 0.00 O ATOM 156 CB LEU A 14 -6.191 13.436 6.190 1.00 0.00 C ATOM 157 CG LEU A 14 -7.122 14.562 6.641 1.00 0.00 C ATOM 158 CD1 LEU A 14 -7.130 15.689 5.619 1.00 0.00 C ATOM 159 CD2 LEU A 14 -8.530 14.033 6.865 1.00 0.00 C ATOM 0 H LEU A 14 -4.523 14.020 7.911 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.633 12.141 7.848 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.297 13.883 5.756 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.687 12.878 5.395 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.750 14.958 7.586 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.798 16.482 5.957 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.121 16.087 5.508 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.477 15.307 4.659 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.178 14.848 7.186 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.912 13.610 5.936 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.511 13.261 7.634 1.00 0.00 H new ATOM 171 N CYS A 15 -3.929 11.360 6.113 1.00 0.00 N ATOM 172 CA CYS A 15 -3.229 10.253 5.472 1.00 0.00 C ATOM 173 C CYS A 15 -3.336 8.983 6.311 1.00 0.00 C ATOM 174 O CYS A 15 -3.491 7.885 5.777 1.00 0.00 O ATOM 175 CB CYS A 15 -1.758 10.611 5.253 1.00 0.00 C ATOM 176 SG CYS A 15 -1.501 12.091 4.247 1.00 0.00 S ATOM 0 H CYS A 15 -3.410 12.238 6.122 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.699 10.069 4.506 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.282 10.757 6.223 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.257 9.769 4.776 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.904 13.138 4.904 1.00 0.00 H new ATOM 182 N SER A 16 -3.252 9.142 7.628 1.00 0.00 N ATOM 183 CA SER A 16 -3.334 8.008 8.541 1.00 0.00 C ATOM 184 C SER A 16 -4.691 7.319 8.432 1.00 0.00 C ATOM 185 O SER A 16 -4.775 6.093 8.385 1.00 0.00 O ATOM 186 CB SER A 16 -3.097 8.467 9.981 1.00 0.00 C ATOM 187 OG SER A 16 -3.216 7.385 10.888 1.00 0.00 O ATOM 0 H SER A 16 -3.127 10.045 8.086 1.00 0.00 H new ATOM 0 HA SER A 16 -2.560 7.293 8.263 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.104 8.909 10.066 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.816 9.244 10.241 1.00 0.00 H new ATOM 0 HG SER A 16 -3.059 7.705 11.801 1.00 0.00 H new ATOM 193 N MET A 17 -5.752 8.119 8.392 1.00 0.00 N ATOM 194 CA MET A 17 -7.106 7.588 8.287 1.00 0.00 C ATOM 195 C MET A 17 -7.261 6.740 7.028 1.00 0.00 C ATOM 196 O MET A 17 -7.471 5.530 7.106 1.00 0.00 O ATOM 197 CB MET A 17 -8.125 8.729 8.277 1.00 0.00 C ATOM 198 CG MET A 17 -7.878 9.775 9.352 1.00 0.00 C ATOM 199 SD MET A 17 -9.377 10.662 9.816 1.00 0.00 S ATOM 200 CE MET A 17 -9.920 11.267 8.220 1.00 0.00 C ATOM 0 H MET A 17 -5.700 9.137 8.431 1.00 0.00 H new ATOM 0 HA MET A 17 -7.290 6.955 9.155 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.107 9.213 7.300 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.124 8.314 8.409 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.459 9.291 10.234 1.00 0.00 H new ATOM 0 HG3 MET A 17 -7.134 10.488 8.996 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.314 12.278 8.329 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.077 11.279 7.529 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.700 10.614 7.829 1.00 0.00 H new ATOM 210 N ILE A 18 -7.157 7.384 5.871 1.00 0.00 N ATOM 211 CA ILE A 18 -7.285 6.688 4.596 1.00 0.00 C ATOM 212 C ILE A 18 -6.637 5.309 4.655 1.00 0.00 C ATOM 213 O ILE A 18 -7.309 4.288 4.508 1.00 0.00 O ATOM 214 CB ILE A 18 -6.648 7.494 3.448 1.00 0.00 C ATOM 215 CG1 ILE A 18 -7.376 8.827 3.267 1.00 0.00 C ATOM 216 CG2 ILE A 18 -6.676 6.689 2.157 1.00 0.00 C ATOM 217 CD1 ILE A 18 -6.514 9.907 2.650 1.00 0.00 C ATOM 0 H ILE A 18 -6.985 8.386 5.790 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.352 6.577 4.403 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.608 7.701 3.702 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.253 8.670 2.639 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.736 9.170 4.237 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.223 7.272 1.355 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.117 5.763 2.293 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.708 6.455 1.896 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.095 10.824 2.551 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.650 10.092 3.288 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.176 9.584 1.665 1.00 0.00 H new ATOM 229 N LEU A 19 -5.326 5.286 4.873 1.00 0.00 N ATOM 230 CA LEU A 19 -4.586 4.032 4.953 1.00 0.00 C ATOM 231 C LEU A 19 -5.340 3.007 5.794 1.00 0.00 C ATOM 232 O LEU A 19 -5.568 1.878 5.360 1.00 0.00 O ATOM 233 CB LEU A 19 -3.197 4.274 5.548 1.00 0.00 C ATOM 234 CG LEU A 19 -2.197 3.127 5.406 1.00 0.00 C ATOM 235 CD1 LEU A 19 -2.017 2.754 3.943 1.00 0.00 C ATOM 236 CD2 LEU A 19 -0.861 3.503 6.030 1.00 0.00 C ATOM 0 H LEU A 19 -4.754 6.122 4.997 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.479 3.637 3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.772 5.161 5.078 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.312 4.500 6.608 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.591 2.260 5.935 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.302 1.936 3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.975 2.441 3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.646 3.617 3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.162 2.674 5.919 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.461 4.385 5.529 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.002 3.720 7.089 1.00 0.00 H new ATOM 248 N THR A 20 -5.728 3.410 7.001 1.00 0.00 N ATOM 249 CA THR A 20 -6.458 2.528 7.902 1.00 0.00 C ATOM 250 C THR A 20 -7.607 1.832 7.181 1.00 0.00 C ATOM 251 O THR A 20 -7.731 0.609 7.229 1.00 0.00 O ATOM 252 CB THR A 20 -7.019 3.300 9.111 1.00 0.00 C ATOM 253 OG1 THR A 20 -5.968 4.023 9.762 1.00 0.00 O ATOM 254 CG2 THR A 20 -7.677 2.351 10.102 1.00 0.00 C ATOM 0 H THR A 20 -5.548 4.341 7.376 1.00 0.00 H new ATOM 0 HA THR A 20 -5.748 1.780 8.255 1.00 0.00 H new ATOM 0 HB THR A 20 -7.771 4.001 8.748 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.744 4.819 9.236 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.065 2.919 10.947 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.496 1.824 9.612 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.942 1.629 10.458 1.00 0.00 H new ATOM 262 N GLU A 21 -8.443 2.620 6.512 1.00 0.00 N ATOM 263 CA GLU A 21 -9.582 2.078 5.781 1.00 0.00 C ATOM 264 C GLU A 21 -9.124 1.073 4.728 1.00 0.00 C ATOM 265 O GLU A 21 -9.664 -0.029 4.629 1.00 0.00 O ATOM 266 CB GLU A 21 -10.373 3.206 5.115 1.00 0.00 C ATOM 267 CG GLU A 21 -10.763 4.321 6.070 1.00 0.00 C ATOM 268 CD GLU A 21 -11.978 3.973 6.909 1.00 0.00 C ATOM 269 OE1 GLU A 21 -12.069 2.816 7.369 1.00 0.00 O ATOM 270 OE2 GLU A 21 -12.836 4.858 7.105 1.00 0.00 O ATOM 0 H GLU A 21 -8.353 3.635 6.461 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.227 1.564 6.494 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.778 3.625 4.303 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.276 2.790 4.667 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.923 4.541 6.728 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.967 5.227 5.500 1.00 0.00 H new ATOM 277 N MET A 22 -8.125 1.462 3.942 1.00 0.00 N ATOM 278 CA MET A 22 -7.593 0.595 2.897 1.00 0.00 C ATOM 279 C MET A 22 -6.911 -0.629 3.500 1.00 0.00 C ATOM 280 O MET A 22 -6.804 -1.671 2.855 1.00 0.00 O ATOM 281 CB MET A 22 -6.603 1.365 2.021 1.00 0.00 C ATOM 282 CG MET A 22 -7.241 2.497 1.233 1.00 0.00 C ATOM 283 SD MET A 22 -6.284 2.955 -0.225 1.00 0.00 S ATOM 284 CE MET A 22 -4.665 3.206 0.499 1.00 0.00 C ATOM 0 H MET A 22 -7.668 2.371 4.009 1.00 0.00 H new ATOM 0 HA MET A 22 -8.426 0.257 2.281 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.813 1.773 2.652 1.00 0.00 H new ATOM 0 HB3 MET A 22 -6.130 0.671 1.326 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.244 2.200 0.926 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.350 3.368 1.879 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.193 4.075 0.041 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.768 3.371 1.571 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.048 2.324 0.325 1.00 0.00 H new ATOM 294 N GLU A 23 -6.452 -0.494 4.740 1.00 0.00 N ATOM 295 CA GLU A 23 -5.780 -1.590 5.429 1.00 0.00 C ATOM 296 C GLU A 23 -6.785 -2.646 5.882 1.00 0.00 C ATOM 297 O GLU A 23 -6.438 -3.814 6.062 1.00 0.00 O ATOM 298 CB GLU A 23 -4.999 -1.062 6.634 1.00 0.00 C ATOM 299 CG GLU A 23 -3.594 -0.597 6.292 1.00 0.00 C ATOM 300 CD GLU A 23 -2.690 -0.527 7.507 1.00 0.00 C ATOM 301 OE1 GLU A 23 -2.671 -1.501 8.288 1.00 0.00 O ATOM 302 OE2 GLU A 23 -2.004 0.502 7.679 1.00 0.00 O ATOM 0 H GLU A 23 -6.533 0.363 5.288 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.084 -2.053 4.729 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.549 -0.232 7.078 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.940 -1.845 7.389 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.159 -1.276 5.559 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.645 0.386 5.825 1.00 0.00 H new ATOM 309 N THR A 24 -8.033 -2.226 6.067 1.00 0.00 N ATOM 310 CA THR A 24 -9.088 -3.132 6.501 1.00 0.00 C ATOM 311 C THR A 24 -9.769 -3.795 5.308 1.00 0.00 C ATOM 312 O THR A 24 -10.858 -4.355 5.435 1.00 0.00 O ATOM 313 CB THR A 24 -10.149 -2.398 7.341 1.00 0.00 C ATOM 314 OG1 THR A 24 -10.701 -1.310 6.591 1.00 0.00 O ATOM 315 CG2 THR A 24 -9.547 -1.874 8.636 1.00 0.00 C ATOM 0 H THR A 24 -8.337 -1.263 5.923 1.00 0.00 H new ATOM 0 HA THR A 24 -8.614 -3.897 7.116 1.00 0.00 H new ATOM 0 HB THR A 24 -10.939 -3.107 7.587 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.227 -1.228 5.737 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.316 -1.359 9.212 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.154 -2.708 9.218 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.739 -1.179 8.407 1.00 0.00 H new ATOM 323 N HIS A 25 -9.121 -3.727 4.150 1.00 0.00 N ATOM 324 CA HIS A 25 -9.664 -4.322 2.934 1.00 0.00 C ATOM 325 C HIS A 25 -9.156 -5.750 2.754 1.00 0.00 C ATOM 326 O HIS A 25 -8.103 -6.113 3.275 1.00 0.00 O ATOM 327 CB HIS A 25 -9.289 -3.477 1.716 1.00 0.00 C ATOM 328 CG HIS A 25 -10.339 -3.467 0.648 1.00 0.00 C ATOM 329 ND1 HIS A 25 -10.245 -4.214 -0.507 1.00 0.00 N ATOM 330 CD2 HIS A 25 -11.512 -2.796 0.566 1.00 0.00 C ATOM 331 CE1 HIS A 25 -11.313 -4.002 -1.255 1.00 0.00 C ATOM 332 NE2 HIS A 25 -12.098 -3.145 -0.626 1.00 0.00 N ATOM 0 H HIS A 25 -8.219 -3.266 4.028 1.00 0.00 H new ATOM 0 HA HIS A 25 -10.750 -4.351 3.026 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.101 -2.453 2.039 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -8.357 -3.855 1.295 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.912 -2.113 1.301 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -11.511 -4.452 -2.217 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -12.994 -2.799 -0.970 1.00 0.00 H new ATOM 340 N GLU A 26 -9.913 -6.553 2.012 1.00 0.00 N ATOM 341 CA GLU A 26 -9.539 -7.940 1.766 1.00 0.00 C ATOM 342 C GLU A 26 -8.570 -8.042 0.591 1.00 0.00 C ATOM 343 O GLU A 26 -8.077 -9.124 0.272 1.00 0.00 O ATOM 344 CB GLU A 26 -10.784 -8.786 1.488 1.00 0.00 C ATOM 345 CG GLU A 26 -11.573 -8.328 0.273 1.00 0.00 C ATOM 346 CD GLU A 26 -12.859 -9.108 0.084 1.00 0.00 C ATOM 347 OE1 GLU A 26 -12.822 -10.158 -0.592 1.00 0.00 O ATOM 348 OE2 GLU A 26 -13.902 -8.669 0.611 1.00 0.00 O ATOM 0 H GLU A 26 -10.787 -6.267 1.572 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.042 -8.319 2.659 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.483 -9.824 1.345 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.433 -8.760 2.363 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.807 -7.268 0.375 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.954 -8.434 -0.618 1.00 0.00 H new ATOM 355 N ASP A 27 -8.304 -6.908 -0.048 1.00 0.00 N ATOM 356 CA ASP A 27 -7.394 -6.868 -1.187 1.00 0.00 C ATOM 357 C ASP A 27 -6.270 -5.865 -0.949 1.00 0.00 C ATOM 358 O ASP A 27 -5.659 -5.367 -1.895 1.00 0.00 O ATOM 359 CB ASP A 27 -8.156 -6.507 -2.463 1.00 0.00 C ATOM 360 CG ASP A 27 -9.055 -7.632 -2.939 1.00 0.00 C ATOM 361 OD1 ASP A 27 -8.523 -8.697 -3.316 1.00 0.00 O ATOM 362 OD2 ASP A 27 -10.289 -7.446 -2.933 1.00 0.00 O ATOM 0 H ASP A 27 -8.705 -6.005 0.203 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.954 -7.858 -1.304 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.758 -5.616 -2.283 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.444 -6.257 -3.250 1.00 0.00 H new ATOM 367 N ALA A 28 -6.004 -5.572 0.319 1.00 0.00 N ATOM 368 CA ALA A 28 -4.953 -4.628 0.681 1.00 0.00 C ATOM 369 C ALA A 28 -3.825 -5.325 1.435 1.00 0.00 C ATOM 370 O ALA A 28 -2.808 -4.711 1.756 1.00 0.00 O ATOM 371 CB ALA A 28 -5.527 -3.494 1.516 1.00 0.00 C ATOM 0 H ALA A 28 -6.501 -5.974 1.113 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.539 -4.214 -0.238 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.731 -2.797 1.779 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.292 -2.971 0.943 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.969 -3.900 2.426 1.00 0.00 H new ATOM 377 N TRP A 29 -4.013 -6.610 1.715 1.00 0.00 N ATOM 378 CA TRP A 29 -3.011 -7.390 2.433 1.00 0.00 C ATOM 379 C TRP A 29 -1.825 -7.714 1.531 1.00 0.00 C ATOM 380 O TRP A 29 -0.688 -7.850 1.981 1.00 0.00 O ATOM 381 CB TRP A 29 -3.629 -8.682 2.969 1.00 0.00 C ATOM 382 CG TRP A 29 -3.996 -9.657 1.891 1.00 0.00 C ATOM 383 CD1 TRP A 29 -5.253 -9.956 1.449 1.00 0.00 C ATOM 384 CD2 TRP A 29 -3.096 -10.461 1.121 1.00 0.00 C ATOM 385 NE1 TRP A 29 -5.189 -10.898 0.451 1.00 0.00 N ATOM 386 CE2 TRP A 29 -3.877 -11.223 0.230 1.00 0.00 C ATOM 387 CE3 TRP A 29 -1.707 -10.610 1.095 1.00 0.00 C ATOM 388 CZ2 TRP A 29 -3.313 -12.120 -0.673 1.00 0.00 C ATOM 389 CZ3 TRP A 29 -1.149 -11.501 0.198 1.00 0.00 C ATOM 390 CH2 TRP A 29 -1.950 -12.246 -0.677 1.00 0.00 C ATOM 0 H TRP A 29 -4.849 -7.133 1.456 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.653 -6.792 3.271 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.926 -9.156 3.654 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.520 -8.438 3.547 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.164 -9.516 1.828 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.989 -11.291 -0.045 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.080 -10.039 1.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -3.929 -12.696 -1.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.076 -11.625 0.171 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.483 -12.933 -1.368 1.00 0.00 H new ATOM 401 N PRO A 30 -2.093 -7.842 0.223 1.00 0.00 N ATOM 402 CA PRO A 30 -0.977 -8.154 -0.675 1.00 0.00 C ATOM 403 C PRO A 30 0.231 -7.257 -0.432 1.00 0.00 C ATOM 404 O PRO A 30 1.349 -7.581 -0.835 1.00 0.00 O ATOM 405 CB PRO A 30 -1.561 -7.899 -2.067 1.00 0.00 C ATOM 406 CG PRO A 30 -3.028 -8.100 -1.905 1.00 0.00 C ATOM 407 CD PRO A 30 -3.371 -7.719 -0.498 1.00 0.00 C ATOM 0 HA PRO A 30 -0.609 -9.170 -0.531 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.335 -6.890 -2.412 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.146 -8.588 -2.803 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.582 -7.487 -2.616 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.299 -9.138 -2.100 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.765 -6.704 -0.443 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.131 -8.379 -0.079 1.00 0.00 H new ATOM 415 N PHE A 31 0.001 -6.128 0.231 1.00 0.00 N ATOM 416 CA PHE A 31 1.071 -5.184 0.528 1.00 0.00 C ATOM 417 C PHE A 31 1.314 -5.092 2.032 1.00 0.00 C ATOM 418 O PHE A 31 2.442 -4.880 2.478 1.00 0.00 O ATOM 419 CB PHE A 31 0.729 -3.801 -0.030 1.00 0.00 C ATOM 420 CG PHE A 31 -0.070 -3.848 -1.301 1.00 0.00 C ATOM 421 CD1 PHE A 31 -1.427 -4.127 -1.272 1.00 0.00 C ATOM 422 CD2 PHE A 31 0.535 -3.613 -2.525 1.00 0.00 C ATOM 423 CE1 PHE A 31 -2.164 -4.172 -2.440 1.00 0.00 C ATOM 424 CE2 PHE A 31 -0.197 -3.656 -3.696 1.00 0.00 C ATOM 425 CZ PHE A 31 -1.549 -3.935 -3.653 1.00 0.00 C ATOM 0 H PHE A 31 -0.918 -5.845 0.573 1.00 0.00 H new ATOM 0 HA PHE A 31 1.983 -5.545 0.052 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.170 -3.243 0.721 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.653 -3.252 -0.211 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.914 -4.311 -0.326 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.592 -3.394 -2.564 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.221 -4.392 -2.404 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.287 -3.472 -4.644 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.124 -3.968 -4.567 1.00 0.00 H new ATOM 435 N LEU A 32 0.248 -5.252 2.808 1.00 0.00 N ATOM 436 CA LEU A 32 0.343 -5.187 4.262 1.00 0.00 C ATOM 437 C LEU A 32 1.655 -5.795 4.749 1.00 0.00 C ATOM 438 O LEU A 32 2.197 -5.385 5.776 1.00 0.00 O ATOM 439 CB LEU A 32 -0.839 -5.916 4.903 1.00 0.00 C ATOM 440 CG LEU A 32 -2.164 -5.153 4.930 1.00 0.00 C ATOM 441 CD1 LEU A 32 -3.265 -6.015 5.526 1.00 0.00 C ATOM 442 CD2 LEU A 32 -2.016 -3.856 5.714 1.00 0.00 C ATOM 0 H LEU A 32 -0.693 -5.428 2.455 1.00 0.00 H new ATOM 0 HA LEU A 32 0.318 -4.138 4.557 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.994 -6.854 4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.570 -6.172 5.928 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.440 -4.906 3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.200 -5.455 5.537 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.388 -6.915 4.924 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.997 -6.294 6.545 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.968 -3.326 5.723 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.717 -4.082 6.737 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.257 -3.231 5.243 1.00 0.00 H new ATOM 454 N LEU A 33 2.160 -6.772 4.005 1.00 0.00 N ATOM 455 CA LEU A 33 3.411 -7.435 4.360 1.00 0.00 C ATOM 456 C LEU A 33 4.480 -7.181 3.303 1.00 0.00 C ATOM 457 O LEU A 33 4.199 -7.095 2.107 1.00 0.00 O ATOM 458 CB LEU A 33 3.185 -8.939 4.523 1.00 0.00 C ATOM 459 CG LEU A 33 2.497 -9.378 5.816 1.00 0.00 C ATOM 460 CD1 LEU A 33 2.173 -10.863 5.771 1.00 0.00 C ATOM 461 CD2 LEU A 33 3.370 -9.058 7.020 1.00 0.00 C ATOM 0 H LEU A 33 1.724 -7.123 3.153 1.00 0.00 H new ATOM 0 HA LEU A 33 3.758 -7.021 5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.589 -9.290 3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.151 -9.440 4.461 1.00 0.00 H new ATOM 0 HG LEU A 33 1.562 -8.826 5.913 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.684 -11.157 6.700 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.508 -11.065 4.931 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.094 -11.433 5.650 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.864 -9.377 7.931 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.321 -9.583 6.930 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.551 -7.984 7.063 1.00 0.00 H new ATOM 473 N PRO A 34 5.739 -7.062 3.751 1.00 0.00 N ATOM 474 CA PRO A 34 6.877 -6.819 2.859 1.00 0.00 C ATOM 475 C PRO A 34 7.198 -8.029 1.988 1.00 0.00 C ATOM 476 O PRO A 34 7.021 -9.173 2.407 1.00 0.00 O ATOM 477 CB PRO A 34 8.030 -6.535 3.825 1.00 0.00 C ATOM 478 CG PRO A 34 7.648 -7.229 5.086 1.00 0.00 C ATOM 479 CD PRO A 34 6.148 -7.154 5.163 1.00 0.00 C ATOM 0 HA PRO A 34 6.680 -6.008 2.158 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.975 -6.914 3.436 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.157 -5.464 3.985 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.987 -8.265 5.079 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.107 -6.749 5.950 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.726 -8.035 5.647 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.818 -6.287 5.735 1.00 0.00 H new ATOM 487 N VAL A 35 7.672 -7.768 0.774 1.00 0.00 N ATOM 488 CA VAL A 35 8.020 -8.836 -0.156 1.00 0.00 C ATOM 489 C VAL A 35 9.454 -9.306 0.058 1.00 0.00 C ATOM 490 O VAL A 35 10.406 -8.608 -0.290 1.00 0.00 O ATOM 491 CB VAL A 35 7.854 -8.382 -1.619 1.00 0.00 C ATOM 492 CG1 VAL A 35 8.292 -9.483 -2.573 1.00 0.00 C ATOM 493 CG2 VAL A 35 6.413 -7.974 -1.889 1.00 0.00 C ATOM 0 H VAL A 35 7.824 -6.827 0.412 1.00 0.00 H new ATOM 0 HA VAL A 35 7.337 -9.662 0.041 1.00 0.00 H new ATOM 0 HB VAL A 35 8.492 -7.514 -1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.168 -9.144 -3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.340 -9.723 -2.394 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.683 -10.371 -2.408 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.313 -7.656 -2.927 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.754 -8.822 -1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.138 -7.151 -1.229 1.00 0.00 H new ATOM 503 N ASN A 36 9.602 -10.495 0.634 1.00 0.00 N ATOM 504 CA ASN A 36 10.921 -11.059 0.896 1.00 0.00 C ATOM 505 C ASN A 36 11.722 -11.191 -0.396 1.00 0.00 C ATOM 506 O ASN A 36 11.450 -12.063 -1.222 1.00 0.00 O ATOM 507 CB ASN A 36 10.789 -12.427 1.568 1.00 0.00 C ATOM 508 CG ASN A 36 11.990 -12.767 2.429 1.00 0.00 C ATOM 509 OD1 ASN A 36 13.148 -12.227 2.067 1.00 0.00 O flip ATOM 510 ND2 ASN A 36 11.878 -13.505 3.408 1.00 0.00 N flip ATOM 0 H ASN A 36 8.825 -11.086 0.928 1.00 0.00 H new ATOM 0 HA ASN A 36 11.452 -10.382 1.565 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.889 -12.441 2.183 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.665 -13.194 0.803 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.968 -13.898 3.649 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.695 -13.724 3.978 1.00 0.00 H new ATOM 517 N LEU A 37 12.711 -10.320 -0.563 1.00 0.00 N ATOM 518 CA LEU A 37 13.553 -10.338 -1.754 1.00 0.00 C ATOM 519 C LEU A 37 14.329 -11.648 -1.852 1.00 0.00 C ATOM 520 O LEU A 37 14.463 -12.224 -2.932 1.00 0.00 O ATOM 521 CB LEU A 37 14.525 -9.157 -1.734 1.00 0.00 C ATOM 522 CG LEU A 37 13.909 -7.787 -1.448 1.00 0.00 C ATOM 523 CD1 LEU A 37 14.973 -6.701 -1.507 1.00 0.00 C ATOM 524 CD2 LEU A 37 12.786 -7.490 -2.431 1.00 0.00 C ATOM 0 H LEU A 37 12.950 -9.593 0.111 1.00 0.00 H new ATOM 0 HA LEU A 37 12.906 -10.253 -2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.289 -9.354 -0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.031 -9.112 -2.699 1.00 0.00 H new ATOM 0 HG LEU A 37 13.489 -7.802 -0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.517 -5.733 -1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 37 15.743 -6.905 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.423 -6.686 -2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.360 -6.511 -2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.181 -7.495 -3.447 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.012 -8.252 -2.340 1.00 0.00 H new ATOM 536 N LYS A 38 14.838 -12.114 -0.717 1.00 0.00 N ATOM 537 CA LYS A 38 15.598 -13.358 -0.672 1.00 0.00 C ATOM 538 C LYS A 38 14.766 -14.523 -1.197 1.00 0.00 C ATOM 539 O LYS A 38 15.272 -15.387 -1.914 1.00 0.00 O ATOM 540 CB LYS A 38 16.057 -13.648 0.759 1.00 0.00 C ATOM 541 CG LYS A 38 17.119 -12.688 1.264 1.00 0.00 C ATOM 542 CD LYS A 38 17.467 -12.956 2.719 1.00 0.00 C ATOM 543 CE LYS A 38 18.132 -11.750 3.364 1.00 0.00 C ATOM 544 NZ LYS A 38 19.559 -11.619 2.959 1.00 0.00 N ATOM 0 H LYS A 38 14.738 -11.649 0.185 1.00 0.00 H new ATOM 0 HA LYS A 38 16.473 -13.243 -1.311 1.00 0.00 H new ATOM 0 HB2 LYS A 38 15.194 -13.605 1.424 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.446 -14.665 0.808 1.00 0.00 H new ATOM 0 HG2 LYS A 38 18.016 -12.781 0.651 1.00 0.00 H new ATOM 0 HG3 LYS A 38 16.765 -11.663 1.157 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.562 -13.211 3.270 1.00 0.00 H new ATOM 0 HD3 LYS A 38 18.132 -13.817 2.782 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.591 -10.845 3.086 1.00 0.00 H new ATOM 0 HE3 LYS A 38 18.069 -11.838 4.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 19.976 -10.785 3.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 20.081 -12.471 3.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 19.618 -11.509 1.926 1.00 0.00 H new ATOM 558 N LEU A 39 13.488 -14.540 -0.837 1.00 0.00 N ATOM 559 CA LEU A 39 12.584 -15.599 -1.274 1.00 0.00 C ATOM 560 C LEU A 39 12.218 -15.431 -2.745 1.00 0.00 C ATOM 561 O LEU A 39 12.335 -16.367 -3.536 1.00 0.00 O ATOM 562 CB LEU A 39 11.316 -15.600 -0.418 1.00 0.00 C ATOM 563 CG LEU A 39 11.526 -15.717 1.093 1.00 0.00 C ATOM 564 CD1 LEU A 39 10.208 -15.539 1.830 1.00 0.00 C ATOM 565 CD2 LEU A 39 12.158 -17.057 1.441 1.00 0.00 C ATOM 0 H LEU A 39 13.054 -13.833 -0.244 1.00 0.00 H new ATOM 0 HA LEU A 39 13.097 -16.553 -1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.766 -14.681 -0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.684 -16.427 -0.742 1.00 0.00 H new ATOM 0 HG LEU A 39 12.205 -14.925 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.377 -15.625 2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.796 -14.555 1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.505 -16.309 1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.300 -17.123 2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.504 -17.864 1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.123 -17.145 0.942 1.00 0.00 H new ATOM 577 N VAL A 40 11.775 -14.230 -3.105 1.00 0.00 N ATOM 578 CA VAL A 40 11.395 -13.937 -4.482 1.00 0.00 C ATOM 579 C VAL A 40 12.621 -13.849 -5.384 1.00 0.00 C ATOM 580 O VAL A 40 13.532 -13.051 -5.159 1.00 0.00 O ATOM 581 CB VAL A 40 10.605 -12.619 -4.578 1.00 0.00 C ATOM 582 CG1 VAL A 40 10.083 -12.410 -5.991 1.00 0.00 C ATOM 583 CG2 VAL A 40 9.463 -12.608 -3.572 1.00 0.00 C ATOM 0 H VAL A 40 11.671 -13.445 -2.462 1.00 0.00 H new ATOM 0 HA VAL A 40 10.760 -14.758 -4.816 1.00 0.00 H new ATOM 0 HB VAL A 40 11.277 -11.795 -4.340 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.527 -11.473 -6.039 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.921 -12.370 -6.686 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.426 -13.236 -6.262 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.915 -11.669 -3.654 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.789 -13.440 -3.777 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.865 -12.707 -2.564 1.00 0.00 H new ATOM 593 N PRO A 41 12.647 -14.687 -6.431 1.00 0.00 N ATOM 594 CA PRO A 41 13.756 -14.722 -7.389 1.00 0.00 C ATOM 595 C PRO A 41 13.807 -13.474 -8.263 1.00 0.00 C ATOM 596 O PRO A 41 13.348 -13.484 -9.404 1.00 0.00 O ATOM 597 CB PRO A 41 13.451 -15.958 -8.239 1.00 0.00 C ATOM 598 CG PRO A 41 11.975 -16.133 -8.138 1.00 0.00 C ATOM 599 CD PRO A 41 11.596 -15.665 -6.759 1.00 0.00 C ATOM 0 HA PRO A 41 14.724 -14.759 -6.890 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.763 -15.814 -9.273 1.00 0.00 H new ATOM 0 HB3 PRO A 41 13.980 -16.835 -7.866 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.460 -15.552 -8.903 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.694 -17.176 -8.287 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.606 -15.210 -6.747 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.577 -16.489 -6.046 1.00 0.00 H new ATOM 607 N GLY A 42 14.369 -12.398 -7.718 1.00 0.00 N ATOM 608 CA GLY A 42 14.469 -11.157 -8.463 1.00 0.00 C ATOM 609 C GLY A 42 13.217 -10.310 -8.351 1.00 0.00 C ATOM 610 O GLY A 42 12.420 -10.242 -9.287 1.00 0.00 O ATOM 0 H GLY A 42 14.756 -12.364 -6.775 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.323 -10.586 -8.099 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.659 -11.381 -9.513 1.00 0.00 H new ATOM 614 N TYR A 43 13.041 -9.666 -7.203 1.00 0.00 N ATOM 615 CA TYR A 43 11.874 -8.823 -6.970 1.00 0.00 C ATOM 616 C TYR A 43 12.210 -7.352 -7.197 1.00 0.00 C ATOM 617 O TYR A 43 11.378 -6.578 -7.671 1.00 0.00 O ATOM 618 CB TYR A 43 11.350 -9.024 -5.547 1.00 0.00 C ATOM 619 CG TYR A 43 10.092 -8.240 -5.249 1.00 0.00 C ATOM 620 CD1 TYR A 43 8.852 -8.679 -5.698 1.00 0.00 C ATOM 621 CD2 TYR A 43 10.142 -7.059 -4.518 1.00 0.00 C ATOM 622 CE1 TYR A 43 7.701 -7.965 -5.429 1.00 0.00 C ATOM 623 CE2 TYR A 43 8.996 -6.339 -4.243 1.00 0.00 C ATOM 624 CZ TYR A 43 7.777 -6.796 -4.701 1.00 0.00 C ATOM 625 OH TYR A 43 6.632 -6.083 -4.430 1.00 0.00 O ATOM 0 H TYR A 43 13.692 -9.711 -6.419 1.00 0.00 H new ATOM 0 HA TYR A 43 11.100 -9.114 -7.680 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.154 -10.084 -5.387 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.126 -8.733 -4.839 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.788 -9.595 -6.267 1.00 0.00 H new ATOM 0 HD2 TYR A 43 11.094 -6.698 -4.159 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.746 -8.320 -5.787 1.00 0.00 H new ATOM 0 HE2 TYR A 43 9.053 -5.424 -3.673 1.00 0.00 H new ATOM 0 HH TYR A 43 6.859 -5.286 -3.907 1.00 0.00 H new ATOM 635 N LYS A 44 13.437 -6.973 -6.857 1.00 0.00 N ATOM 636 CA LYS A 44 13.888 -5.597 -7.024 1.00 0.00 C ATOM 637 C LYS A 44 14.068 -5.259 -8.501 1.00 0.00 C ATOM 638 O LYS A 44 13.550 -4.254 -8.987 1.00 0.00 O ATOM 639 CB LYS A 44 15.203 -5.374 -6.275 1.00 0.00 C ATOM 640 CG LYS A 44 15.026 -5.190 -4.777 1.00 0.00 C ATOM 641 CD LYS A 44 16.364 -5.039 -4.072 1.00 0.00 C ATOM 642 CE LYS A 44 17.174 -6.325 -4.132 1.00 0.00 C ATOM 643 NZ LYS A 44 18.315 -6.307 -3.176 1.00 0.00 N ATOM 0 H LYS A 44 14.138 -7.601 -6.463 1.00 0.00 H new ATOM 0 HA LYS A 44 13.125 -4.939 -6.609 1.00 0.00 H new ATOM 0 HB2 LYS A 44 15.862 -6.224 -6.453 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.700 -4.495 -6.684 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.412 -4.309 -4.588 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.491 -6.046 -4.365 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.930 -4.229 -4.533 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.199 -4.760 -3.031 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.526 -7.173 -3.909 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.551 -6.470 -5.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.842 -7.201 -3.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.947 -5.513 -3.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.954 -6.194 -2.207 1.00 0.00 H new ATOM 657 N LYS A 45 14.806 -6.106 -9.211 1.00 0.00 N ATOM 658 CA LYS A 45 15.053 -5.900 -10.633 1.00 0.00 C ATOM 659 C LYS A 45 13.797 -5.396 -11.336 1.00 0.00 C ATOM 660 O LYS A 45 13.836 -4.402 -12.061 1.00 0.00 O ATOM 661 CB LYS A 45 15.527 -7.202 -11.283 1.00 0.00 C ATOM 662 CG LYS A 45 16.986 -7.523 -11.009 1.00 0.00 C ATOM 663 CD LYS A 45 17.396 -8.840 -11.644 1.00 0.00 C ATOM 664 CE LYS A 45 16.910 -10.028 -10.827 1.00 0.00 C ATOM 665 NZ LYS A 45 17.597 -10.113 -9.509 1.00 0.00 N ATOM 0 H LYS A 45 15.244 -6.942 -8.824 1.00 0.00 H new ATOM 0 HA LYS A 45 15.833 -5.145 -10.735 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.909 -8.024 -10.922 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.374 -7.137 -12.360 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.615 -6.721 -11.395 1.00 0.00 H new ATOM 0 HG3 LYS A 45 17.153 -7.569 -9.933 1.00 0.00 H new ATOM 0 HD2 LYS A 45 16.989 -8.901 -12.654 1.00 0.00 H new ATOM 0 HD3 LYS A 45 18.482 -8.879 -11.735 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.834 -9.946 -10.671 1.00 0.00 H new ATOM 0 HE3 LYS A 45 17.082 -10.948 -11.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 17.508 -11.079 -9.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 18.603 -9.878 -9.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 17.160 -9.442 -8.846 1.00 0.00 H new ATOM 679 N VAL A 46 12.683 -6.087 -11.115 1.00 0.00 N ATOM 680 CA VAL A 46 11.415 -5.708 -11.726 1.00 0.00 C ATOM 681 C VAL A 46 10.796 -4.512 -11.011 1.00 0.00 C ATOM 682 O VAL A 46 10.295 -3.586 -11.649 1.00 0.00 O ATOM 683 CB VAL A 46 10.412 -6.877 -11.708 1.00 0.00 C ATOM 684 CG1 VAL A 46 9.040 -6.411 -12.172 1.00 0.00 C ATOM 685 CG2 VAL A 46 10.915 -8.023 -12.573 1.00 0.00 C ATOM 0 H VAL A 46 12.633 -6.912 -10.517 1.00 0.00 H new ATOM 0 HA VAL A 46 11.630 -5.439 -12.760 1.00 0.00 H new ATOM 0 HB VAL A 46 10.319 -7.238 -10.684 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.345 -7.250 -12.153 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.679 -5.625 -11.508 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.112 -6.023 -13.188 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.194 -8.840 -12.549 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.038 -7.677 -13.599 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.874 -8.373 -12.191 1.00 0.00 H new ATOM 695 N ILE A 47 10.836 -4.538 -9.683 1.00 0.00 N ATOM 696 CA ILE A 47 10.281 -3.455 -8.881 1.00 0.00 C ATOM 697 C ILE A 47 11.368 -2.475 -8.454 1.00 0.00 C ATOM 698 O ILE A 47 12.188 -2.779 -7.587 1.00 0.00 O ATOM 699 CB ILE A 47 9.567 -3.992 -7.626 1.00 0.00 C ATOM 700 CG1 ILE A 47 8.433 -4.938 -8.024 1.00 0.00 C ATOM 701 CG2 ILE A 47 9.034 -2.840 -6.787 1.00 0.00 C ATOM 702 CD1 ILE A 47 7.437 -4.320 -8.980 1.00 0.00 C ATOM 0 H ILE A 47 11.247 -5.297 -9.140 1.00 0.00 H new ATOM 0 HA ILE A 47 9.555 -2.938 -9.508 1.00 0.00 H new ATOM 0 HB ILE A 47 10.286 -4.550 -7.027 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.859 -5.830 -8.483 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.909 -5.262 -7.125 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.532 -3.235 -5.904 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.862 -2.201 -6.479 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.326 -2.258 -7.377 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.662 -5.048 -9.218 1.00 0.00 H new ATOM 0 HD12 ILE A 47 6.983 -3.444 -8.516 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.948 -4.022 -9.895 1.00 0.00 H new ATOM 714 N LYS A 48 11.368 -1.296 -9.066 1.00 0.00 N ATOM 715 CA LYS A 48 12.352 -0.268 -8.748 1.00 0.00 C ATOM 716 C LYS A 48 12.170 0.237 -7.320 1.00 0.00 C ATOM 717 O LYS A 48 13.141 0.421 -6.587 1.00 0.00 O ATOM 718 CB LYS A 48 12.236 0.900 -9.731 1.00 0.00 C ATOM 719 CG LYS A 48 12.545 0.518 -11.168 1.00 0.00 C ATOM 720 CD LYS A 48 11.295 0.069 -11.907 1.00 0.00 C ATOM 721 CE LYS A 48 11.475 0.163 -13.414 1.00 0.00 C ATOM 722 NZ LYS A 48 10.182 0.014 -14.137 1.00 0.00 N ATOM 0 H LYS A 48 10.697 -1.028 -9.786 1.00 0.00 H new ATOM 0 HA LYS A 48 13.344 -0.711 -8.835 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.226 1.307 -9.681 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.915 1.694 -9.421 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.988 1.369 -11.685 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.284 -0.283 -11.182 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.057 -0.958 -11.631 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.449 0.685 -11.601 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.924 1.123 -13.667 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.168 -0.610 -13.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.347 0.084 -15.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.765 -0.913 -13.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.529 0.767 -13.839 1.00 0.00 H new ATOM 736 N LYS A 49 10.919 0.456 -6.930 1.00 0.00 N ATOM 737 CA LYS A 49 10.608 0.936 -5.589 1.00 0.00 C ATOM 738 C LYS A 49 9.641 -0.010 -4.883 1.00 0.00 C ATOM 739 O LYS A 49 8.428 0.202 -4.867 1.00 0.00 O ATOM 740 CB LYS A 49 10.006 2.342 -5.654 1.00 0.00 C ATOM 741 CG LYS A 49 11.040 3.451 -5.560 1.00 0.00 C ATOM 742 CD LYS A 49 11.229 3.916 -4.126 1.00 0.00 C ATOM 743 CE LYS A 49 11.519 2.750 -3.195 1.00 0.00 C ATOM 744 NZ LYS A 49 12.918 2.261 -3.337 1.00 0.00 N ATOM 0 H LYS A 49 10.103 0.309 -7.524 1.00 0.00 H new ATOM 0 HA LYS A 49 11.536 0.971 -5.019 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.454 2.449 -6.588 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.286 2.458 -4.844 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.991 3.097 -5.957 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.729 4.293 -6.179 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.049 4.632 -4.080 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.332 4.437 -3.790 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.345 3.057 -2.164 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.826 1.935 -3.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.998 1.312 -2.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.170 2.217 -4.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.565 2.911 -2.846 1.00 0.00 H new ATOM 758 N PRO A 50 10.188 -1.078 -4.284 1.00 0.00 N ATOM 759 CA PRO A 50 9.392 -2.076 -3.563 1.00 0.00 C ATOM 760 C PRO A 50 8.808 -1.525 -2.267 1.00 0.00 C ATOM 761 O PRO A 50 9.337 -1.770 -1.184 1.00 0.00 O ATOM 762 CB PRO A 50 10.401 -3.187 -3.265 1.00 0.00 C ATOM 763 CG PRO A 50 11.725 -2.503 -3.254 1.00 0.00 C ATOM 764 CD PRO A 50 11.626 -1.393 -4.263 1.00 0.00 C ATOM 0 HA PRO A 50 8.531 -2.408 -4.144 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.194 -3.664 -2.307 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.365 -3.968 -4.024 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.953 -2.110 -2.263 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.525 -3.197 -3.514 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.222 -0.529 -3.970 1.00 0.00 H new ATOM 0 HD3 PRO A 50 11.983 -1.708 -5.244 1.00 0.00 H new ATOM 772 N MET A 51 7.713 -0.781 -2.386 1.00 0.00 N ATOM 773 CA MET A 51 7.056 -0.198 -1.222 1.00 0.00 C ATOM 774 C MET A 51 6.092 -1.194 -0.585 1.00 0.00 C ATOM 775 O MET A 51 5.765 -2.222 -1.179 1.00 0.00 O ATOM 776 CB MET A 51 6.304 1.074 -1.618 1.00 0.00 C ATOM 777 CG MET A 51 5.830 1.895 -0.430 1.00 0.00 C ATOM 778 SD MET A 51 7.158 2.271 0.729 1.00 0.00 S ATOM 779 CE MET A 51 8.442 2.818 -0.393 1.00 0.00 C ATOM 0 H MET A 51 7.262 -0.568 -3.276 1.00 0.00 H new ATOM 0 HA MET A 51 7.825 0.055 -0.492 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.953 1.691 -2.240 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.443 0.802 -2.228 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.392 2.826 -0.789 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.042 1.352 0.091 1.00 0.00 H new ATOM 0 HE1 MET A 51 9.148 3.452 0.143 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.966 1.952 -0.797 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.994 3.384 -1.210 1.00 0.00 H new ATOM 789 N ASP A 52 5.641 -0.883 0.625 1.00 0.00 N ATOM 790 CA ASP A 52 4.715 -1.752 1.342 1.00 0.00 C ATOM 791 C ASP A 52 3.975 -0.977 2.429 1.00 0.00 C ATOM 792 O ASP A 52 4.546 -0.104 3.082 1.00 0.00 O ATOM 793 CB ASP A 52 5.464 -2.933 1.961 1.00 0.00 C ATOM 794 CG ASP A 52 6.538 -3.482 1.043 1.00 0.00 C ATOM 795 OD1 ASP A 52 6.224 -4.379 0.233 1.00 0.00 O ATOM 796 OD2 ASP A 52 7.693 -3.015 1.135 1.00 0.00 O ATOM 0 H ASP A 52 5.901 -0.036 1.130 1.00 0.00 H new ATOM 0 HA ASP A 52 3.984 -2.131 0.628 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.919 -2.619 2.901 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.754 -3.725 2.200 1.00 0.00 H new ATOM 801 N PHE A 53 2.700 -1.302 2.615 1.00 0.00 N ATOM 802 CA PHE A 53 1.880 -0.635 3.621 1.00 0.00 C ATOM 803 C PHE A 53 2.560 -0.671 4.987 1.00 0.00 C ATOM 804 O PHE A 53 2.495 0.293 5.750 1.00 0.00 O ATOM 805 CB PHE A 53 0.503 -1.296 3.707 1.00 0.00 C ATOM 806 CG PHE A 53 -0.464 -0.802 2.670 1.00 0.00 C ATOM 807 CD1 PHE A 53 -0.008 -0.286 1.468 1.00 0.00 C ATOM 808 CD2 PHE A 53 -1.830 -0.854 2.896 1.00 0.00 C ATOM 809 CE1 PHE A 53 -0.896 0.171 0.512 1.00 0.00 C ATOM 810 CE2 PHE A 53 -2.723 -0.400 1.944 1.00 0.00 C ATOM 811 CZ PHE A 53 -2.256 0.112 0.750 1.00 0.00 C ATOM 0 H PHE A 53 2.212 -2.023 2.083 1.00 0.00 H new ATOM 0 HA PHE A 53 1.758 0.406 3.322 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.619 -2.374 3.600 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.084 -1.117 4.697 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.054 -0.240 1.275 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.202 -1.254 3.828 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.527 0.574 -0.420 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.785 -0.446 2.134 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.952 0.466 0.004 1.00 0.00 H new ATOM 821 N SER A 54 3.211 -1.790 5.288 1.00 0.00 N ATOM 822 CA SER A 54 3.899 -1.954 6.563 1.00 0.00 C ATOM 823 C SER A 54 4.910 -0.833 6.783 1.00 0.00 C ATOM 824 O SER A 54 5.045 -0.310 7.890 1.00 0.00 O ATOM 825 CB SER A 54 4.605 -3.311 6.615 1.00 0.00 C ATOM 826 OG SER A 54 5.521 -3.450 5.543 1.00 0.00 O ATOM 0 H SER A 54 3.276 -2.596 4.667 1.00 0.00 H new ATOM 0 HA SER A 54 3.155 -1.909 7.358 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.132 -3.414 7.564 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.866 -4.111 6.572 1.00 0.00 H new ATOM 0 HG SER A 54 6.263 -4.027 5.820 1.00 0.00 H new ATOM 832 N THR A 55 5.621 -0.468 5.720 1.00 0.00 N ATOM 833 CA THR A 55 6.621 0.589 5.795 1.00 0.00 C ATOM 834 C THR A 55 5.975 1.966 5.688 1.00 0.00 C ATOM 835 O THR A 55 6.335 2.889 6.419 1.00 0.00 O ATOM 836 CB THR A 55 7.677 0.443 4.684 1.00 0.00 C ATOM 837 OG1 THR A 55 8.392 -0.787 4.847 1.00 0.00 O ATOM 838 CG2 THR A 55 8.653 1.610 4.708 1.00 0.00 C ATOM 0 H THR A 55 5.522 -0.890 4.797 1.00 0.00 H new ATOM 0 HA THR A 55 7.109 0.494 6.765 1.00 0.00 H new ATOM 0 HB THR A 55 7.163 0.440 3.723 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.061 -0.873 4.136 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.389 1.485 3.914 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.109 2.542 4.555 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.160 1.640 5.672 1.00 0.00 H new ATOM 846 N ILE A 56 5.019 2.096 4.775 1.00 0.00 N ATOM 847 CA ILE A 56 4.322 3.360 4.574 1.00 0.00 C ATOM 848 C ILE A 56 3.690 3.851 5.872 1.00 0.00 C ATOM 849 O ILE A 56 3.776 5.032 6.209 1.00 0.00 O ATOM 850 CB ILE A 56 3.227 3.235 3.499 1.00 0.00 C ATOM 851 CG1 ILE A 56 3.850 2.905 2.141 1.00 0.00 C ATOM 852 CG2 ILE A 56 2.416 4.520 3.416 1.00 0.00 C ATOM 853 CD1 ILE A 56 2.831 2.610 1.063 1.00 0.00 C ATOM 0 H ILE A 56 4.709 1.341 4.163 1.00 0.00 H new ATOM 0 HA ILE A 56 5.067 4.081 4.239 1.00 0.00 H new ATOM 0 HB ILE A 56 2.557 2.422 3.778 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.471 3.742 1.823 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.508 2.044 2.252 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.646 4.416 2.652 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.946 4.717 4.380 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.074 5.350 3.157 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.345 2.385 0.128 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.225 1.754 1.360 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.188 3.479 0.923 1.00 0.00 H new ATOM 865 N ARG A 57 3.055 2.936 6.598 1.00 0.00 N ATOM 866 CA ARG A 57 2.409 3.275 7.860 1.00 0.00 C ATOM 867 C ARG A 57 3.411 3.884 8.837 1.00 0.00 C ATOM 868 O ARG A 57 3.262 5.031 9.258 1.00 0.00 O ATOM 869 CB ARG A 57 1.767 2.032 8.479 1.00 0.00 C ATOM 870 CG ARG A 57 1.132 2.287 9.836 1.00 0.00 C ATOM 871 CD ARG A 57 -0.105 3.164 9.717 1.00 0.00 C ATOM 872 NE ARG A 57 -1.318 2.376 9.516 1.00 0.00 N ATOM 873 CZ ARG A 57 -1.952 1.741 10.495 1.00 0.00 C ATOM 874 NH1 ARG A 57 -1.491 1.801 11.736 1.00 0.00 N ATOM 875 NH2 ARG A 57 -3.050 1.043 10.233 1.00 0.00 N ATOM 0 H ARG A 57 2.974 1.954 6.333 1.00 0.00 H new ATOM 0 HA ARG A 57 1.633 4.012 7.656 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.007 1.648 7.798 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.525 1.255 8.582 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.863 1.337 10.297 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.857 2.766 10.494 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.210 3.767 10.619 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.020 3.856 8.884 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.699 2.310 8.572 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.647 2.336 11.941 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.980 1.312 12.486 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.408 0.994 9.279 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.536 0.556 10.986 1.00 0.00 H new ATOM 889 N GLU A 58 4.429 3.108 9.194 1.00 0.00 N ATOM 890 CA GLU A 58 5.453 3.571 10.123 1.00 0.00 C ATOM 891 C GLU A 58 5.983 4.941 9.709 1.00 0.00 C ATOM 892 O GLU A 58 6.155 5.830 10.543 1.00 0.00 O ATOM 893 CB GLU A 58 6.605 2.565 10.190 1.00 0.00 C ATOM 894 CG GLU A 58 6.181 1.186 10.665 1.00 0.00 C ATOM 895 CD GLU A 58 7.290 0.455 11.398 1.00 0.00 C ATOM 896 OE1 GLU A 58 7.423 0.657 12.623 1.00 0.00 O ATOM 897 OE2 GLU A 58 8.024 -0.317 10.747 1.00 0.00 O ATOM 0 H GLU A 58 4.567 2.156 8.854 1.00 0.00 H new ATOM 0 HA GLU A 58 4.999 3.659 11.110 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.057 2.477 9.202 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.374 2.950 10.859 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.317 1.282 11.323 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.864 0.592 9.808 1.00 0.00 H new ATOM 904 N LYS A 59 6.240 5.103 8.416 1.00 0.00 N ATOM 905 CA LYS A 59 6.750 6.364 7.889 1.00 0.00 C ATOM 906 C LYS A 59 5.738 7.487 8.091 1.00 0.00 C ATOM 907 O LYS A 59 6.077 8.560 8.593 1.00 0.00 O ATOM 908 CB LYS A 59 7.080 6.222 6.402 1.00 0.00 C ATOM 909 CG LYS A 59 8.296 5.354 6.129 1.00 0.00 C ATOM 910 CD LYS A 59 8.636 5.321 4.648 1.00 0.00 C ATOM 911 CE LYS A 59 9.580 6.451 4.267 1.00 0.00 C ATOM 912 NZ LYS A 59 10.948 6.240 4.816 1.00 0.00 N ATOM 0 H LYS A 59 6.104 4.377 7.713 1.00 0.00 H new ATOM 0 HA LYS A 59 7.659 6.616 8.434 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.218 5.798 5.886 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.249 7.213 5.980 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.149 5.734 6.691 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.108 4.340 6.483 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.094 4.364 4.400 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.720 5.397 4.062 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.633 6.530 3.181 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.182 7.396 4.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.629 6.815 4.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.968 6.522 5.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.204 5.235 4.735 1.00 0.00 H new ATOM 926 N LEU A 60 4.494 7.234 7.700 1.00 0.00 N ATOM 927 CA LEU A 60 3.431 8.223 7.840 1.00 0.00 C ATOM 928 C LEU A 60 3.409 8.803 9.250 1.00 0.00 C ATOM 929 O LEU A 60 3.520 10.014 9.436 1.00 0.00 O ATOM 930 CB LEU A 60 2.076 7.594 7.513 1.00 0.00 C ATOM 931 CG LEU A 60 1.024 8.535 6.923 1.00 0.00 C ATOM 932 CD1 LEU A 60 -0.357 7.902 6.992 1.00 0.00 C ATOM 933 CD2 LEU A 60 1.036 9.872 7.650 1.00 0.00 C ATOM 0 H LEU A 60 4.196 6.352 7.283 1.00 0.00 H new ATOM 0 HA LEU A 60 3.627 9.033 7.137 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.238 6.776 6.811 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.672 7.156 8.425 1.00 0.00 H new ATOM 0 HG LEU A 60 1.269 8.711 5.876 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.092 8.586 6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.359 6.970 6.426 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.611 7.695 8.032 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.281 10.528 7.217 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.817 9.714 8.706 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.019 10.332 7.549 1.00 0.00 H new ATOM 945 N SER A 61 3.266 7.928 10.241 1.00 0.00 N ATOM 946 CA SER A 61 3.228 8.353 11.636 1.00 0.00 C ATOM 947 C SER A 61 4.526 9.053 12.026 1.00 0.00 C ATOM 948 O SER A 61 4.510 10.087 12.694 1.00 0.00 O ATOM 949 CB SER A 61 2.989 7.151 12.551 1.00 0.00 C ATOM 950 OG SER A 61 3.276 7.472 13.901 1.00 0.00 O ATOM 0 H SER A 61 3.175 6.921 10.104 1.00 0.00 H new ATOM 0 HA SER A 61 2.406 9.059 11.753 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.953 6.824 12.464 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.614 6.317 12.232 1.00 0.00 H new ATOM 0 HG SER A 61 3.114 6.687 14.465 1.00 0.00 H new ATOM 956 N SER A 62 5.650 8.482 11.604 1.00 0.00 N ATOM 957 CA SER A 62 6.958 9.048 11.912 1.00 0.00 C ATOM 958 C SER A 62 7.108 10.435 11.295 1.00 0.00 C ATOM 959 O SER A 62 8.066 11.153 11.580 1.00 0.00 O ATOM 960 CB SER A 62 8.068 8.127 11.403 1.00 0.00 C ATOM 961 OG SER A 62 9.304 8.423 12.030 1.00 0.00 O ATOM 0 H SER A 62 5.681 7.628 11.048 1.00 0.00 H new ATOM 0 HA SER A 62 7.041 9.141 12.995 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.799 7.088 11.594 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.169 8.236 10.323 1.00 0.00 H new ATOM 0 HG SER A 62 9.439 9.393 12.044 1.00 0.00 H new ATOM 967 N GLY A 63 6.154 10.805 10.446 1.00 0.00 N ATOM 968 CA GLY A 63 6.199 12.104 9.800 1.00 0.00 C ATOM 969 C GLY A 63 7.266 12.182 8.727 1.00 0.00 C ATOM 970 O GLY A 63 8.047 13.132 8.688 1.00 0.00 O ATOM 0 H GLY A 63 5.351 10.229 10.194 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.227 12.320 9.357 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.386 12.873 10.550 1.00 0.00 H new ATOM 974 N GLN A 64 7.300 11.179 7.855 1.00 0.00 N ATOM 975 CA GLN A 64 8.281 11.138 6.777 1.00 0.00 C ATOM 976 C GLN A 64 7.759 11.855 5.537 1.00 0.00 C ATOM 977 O GLN A 64 8.496 12.069 4.574 1.00 0.00 O ATOM 978 CB GLN A 64 8.631 9.689 6.433 1.00 0.00 C ATOM 979 CG GLN A 64 9.263 8.925 7.586 1.00 0.00 C ATOM 980 CD GLN A 64 10.749 9.191 7.717 1.00 0.00 C ATOM 981 OE1 GLN A 64 11.231 10.273 7.381 1.00 0.00 O ATOM 982 NE2 GLN A 64 11.487 8.202 8.209 1.00 0.00 N ATOM 0 H GLN A 64 6.660 10.385 7.874 1.00 0.00 H new ATOM 0 HA GLN A 64 9.180 11.651 7.119 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.726 9.170 6.118 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.315 9.681 5.584 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.765 9.201 8.516 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.100 7.857 7.442 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.047 7.321 8.475 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.494 8.324 8.321 1.00 0.00 H new ATOM 991 N TYR A 65 6.483 12.225 5.567 1.00 0.00 N ATOM 992 CA TYR A 65 5.861 12.916 4.444 1.00 0.00 C ATOM 993 C TYR A 65 5.623 14.386 4.774 1.00 0.00 C ATOM 994 O TYR A 65 4.907 14.730 5.714 1.00 0.00 O ATOM 995 CB TYR A 65 4.538 12.244 4.074 1.00 0.00 C ATOM 996 CG TYR A 65 4.679 10.780 3.724 1.00 0.00 C ATOM 997 CD1 TYR A 65 5.337 10.383 2.566 1.00 0.00 C ATOM 998 CD2 TYR A 65 4.155 9.794 4.550 1.00 0.00 C ATOM 999 CE1 TYR A 65 5.468 9.047 2.241 1.00 0.00 C ATOM 1000 CE2 TYR A 65 4.282 8.455 4.234 1.00 0.00 C ATOM 1001 CZ TYR A 65 4.940 8.087 3.079 1.00 0.00 C ATOM 1002 OH TYR A 65 5.068 6.754 2.760 1.00 0.00 O ATOM 0 H TYR A 65 5.860 12.058 6.357 1.00 0.00 H new ATOM 0 HA TYR A 65 6.540 12.858 3.593 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.844 12.344 4.908 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.097 12.770 3.227 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.753 11.132 1.909 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.639 10.079 5.455 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.981 8.756 1.336 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.869 7.701 4.887 1.00 0.00 H new ATOM 0 HH TYR A 65 5.101 6.222 3.583 1.00 0.00 H new ATOM 1012 N PRO A 66 6.239 15.276 3.981 1.00 0.00 N ATOM 1013 CA PRO A 66 6.109 16.725 4.167 1.00 0.00 C ATOM 1014 C PRO A 66 4.714 17.231 3.818 1.00 0.00 C ATOM 1015 O PRO A 66 4.265 18.251 4.339 1.00 0.00 O ATOM 1016 CB PRO A 66 7.145 17.301 3.198 1.00 0.00 C ATOM 1017 CG PRO A 66 7.303 16.257 2.147 1.00 0.00 C ATOM 1018 CD PRO A 66 7.108 14.937 2.842 1.00 0.00 C ATOM 0 HA PRO A 66 6.266 17.019 5.205 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.806 18.245 2.771 1.00 0.00 H new ATOM 0 HB3 PRO A 66 8.090 17.501 3.702 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.571 16.391 1.351 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.289 16.313 1.686 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.642 14.202 2.186 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.056 14.513 3.172 1.00 0.00 H new ATOM 1026 N ASN A 67 4.033 16.512 2.932 1.00 0.00 N ATOM 1027 CA ASN A 67 2.688 16.889 2.513 1.00 0.00 C ATOM 1028 C ASN A 67 1.908 15.672 2.025 1.00 0.00 C ATOM 1029 O ASN A 67 2.420 14.551 2.028 1.00 0.00 O ATOM 1030 CB ASN A 67 2.753 17.944 1.407 1.00 0.00 C ATOM 1031 CG ASN A 67 3.932 18.884 1.572 1.00 0.00 C ATOM 1032 OD1 ASN A 67 5.099 18.456 1.104 1.00 0.00 O flip ATOM 1033 ND2 ASN A 67 3.794 19.980 2.114 1.00 0.00 N flip ATOM 0 H ASN A 67 4.390 15.665 2.490 1.00 0.00 H new ATOM 0 HA ASN A 67 2.170 17.308 3.376 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.820 17.448 0.439 1.00 0.00 H new ATOM 0 HB3 ASN A 67 1.829 18.522 1.405 1.00 0.00 H new ATOM 0 HD21 ASN A 67 2.878 20.267 2.459 1.00 0.00 H new ATOM 0 HD22 ASN A 67 4.596 20.602 2.219 1.00 0.00 H new ATOM 1040 N LEU A 68 0.668 15.899 1.606 1.00 0.00 N ATOM 1041 CA LEU A 68 -0.183 14.822 1.113 1.00 0.00 C ATOM 1042 C LEU A 68 0.367 14.244 -0.187 1.00 0.00 C ATOM 1043 O LEU A 68 0.470 13.028 -0.342 1.00 0.00 O ATOM 1044 CB LEU A 68 -1.609 15.330 0.896 1.00 0.00 C ATOM 1045 CG LEU A 68 -2.230 16.104 2.059 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -3.367 16.987 1.567 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -2.723 15.147 3.134 1.00 0.00 C ATOM 0 H LEU A 68 0.229 16.820 1.598 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.196 14.031 1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.615 15.971 0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.248 14.475 0.672 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.463 16.744 2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.797 17.530 2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.985 17.697 0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.135 16.367 1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.162 15.716 3.954 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.475 14.481 2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.886 14.558 3.508 1.00 0.00 H new ATOM 1059 N GLU A 69 0.721 15.126 -1.117 1.00 0.00 N ATOM 1060 CA GLU A 69 1.262 14.702 -2.403 1.00 0.00 C ATOM 1061 C GLU A 69 2.207 13.517 -2.232 1.00 0.00 C ATOM 1062 O GLU A 69 1.986 12.444 -2.796 1.00 0.00 O ATOM 1063 CB GLU A 69 1.997 15.862 -3.079 1.00 0.00 C ATOM 1064 CG GLU A 69 2.372 15.584 -4.525 1.00 0.00 C ATOM 1065 CD GLU A 69 1.164 15.525 -5.440 1.00 0.00 C ATOM 1066 OE1 GLU A 69 0.392 16.506 -5.469 1.00 0.00 O ATOM 1067 OE2 GLU A 69 0.992 14.497 -6.128 1.00 0.00 O ATOM 0 H GLU A 69 0.643 16.137 -1.004 1.00 0.00 H new ATOM 0 HA GLU A 69 0.429 14.392 -3.034 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.368 16.752 -3.040 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.902 16.086 -2.514 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.051 16.361 -4.876 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.912 14.639 -4.581 1.00 0.00 H new ATOM 1074 N THR A 70 3.264 13.718 -1.450 1.00 0.00 N ATOM 1075 CA THR A 70 4.244 12.668 -1.206 1.00 0.00 C ATOM 1076 C THR A 70 3.570 11.385 -0.732 1.00 0.00 C ATOM 1077 O THR A 70 3.712 10.332 -1.354 1.00 0.00 O ATOM 1078 CB THR A 70 5.285 13.104 -0.157 1.00 0.00 C ATOM 1079 OG1 THR A 70 4.631 13.443 1.071 1.00 0.00 O ATOM 1080 CG2 THR A 70 6.088 14.296 -0.656 1.00 0.00 C ATOM 0 H THR A 70 3.462 14.599 -0.975 1.00 0.00 H new ATOM 0 HA THR A 70 4.749 12.481 -2.154 1.00 0.00 H new ATOM 0 HB THR A 70 5.968 12.272 0.014 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.843 13.994 0.881 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.817 14.586 0.101 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.608 14.025 -1.575 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.416 15.131 -0.852 1.00 0.00 H new ATOM 1088 N PHE A 71 2.836 11.481 0.371 1.00 0.00 N ATOM 1089 CA PHE A 71 2.139 10.327 0.928 1.00 0.00 C ATOM 1090 C PHE A 71 1.378 9.574 -0.160 1.00 0.00 C ATOM 1091 O PHE A 71 1.501 8.356 -0.288 1.00 0.00 O ATOM 1092 CB PHE A 71 1.173 10.770 2.028 1.00 0.00 C ATOM 1093 CG PHE A 71 0.208 9.698 2.447 1.00 0.00 C ATOM 1094 CD1 PHE A 71 0.563 8.765 3.407 1.00 0.00 C ATOM 1095 CD2 PHE A 71 -1.054 9.622 1.878 1.00 0.00 C ATOM 1096 CE1 PHE A 71 -0.323 7.777 3.795 1.00 0.00 C ATOM 1097 CE2 PHE A 71 -1.943 8.637 2.262 1.00 0.00 C ATOM 1098 CZ PHE A 71 -1.577 7.712 3.221 1.00 0.00 C ATOM 0 H PHE A 71 2.708 12.345 0.897 1.00 0.00 H new ATOM 0 HA PHE A 71 2.884 9.656 1.357 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.747 11.090 2.897 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.612 11.637 1.680 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.543 8.810 3.858 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.345 10.341 1.126 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.034 7.057 4.546 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.924 8.590 1.813 1.00 0.00 H new ATOM 0 HZ PHE A 71 -2.270 6.940 3.521 1.00 0.00 H new ATOM 1108 N ALA A 72 0.592 10.308 -0.940 1.00 0.00 N ATOM 1109 CA ALA A 72 -0.188 9.711 -2.017 1.00 0.00 C ATOM 1110 C ALA A 72 0.716 9.011 -3.026 1.00 0.00 C ATOM 1111 O ALA A 72 0.469 7.866 -3.406 1.00 0.00 O ATOM 1112 CB ALA A 72 -1.031 10.772 -2.709 1.00 0.00 C ATOM 0 H ALA A 72 0.478 11.317 -0.846 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.850 8.963 -1.581 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.608 10.312 -3.511 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.710 11.225 -1.987 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.379 11.540 -3.125 1.00 0.00 H new ATOM 1118 N LEU A 73 1.763 9.705 -3.457 1.00 0.00 N ATOM 1119 CA LEU A 73 2.705 9.150 -4.423 1.00 0.00 C ATOM 1120 C LEU A 73 3.101 7.727 -4.041 1.00 0.00 C ATOM 1121 O LEU A 73 3.055 6.816 -4.868 1.00 0.00 O ATOM 1122 CB LEU A 73 3.951 10.032 -4.515 1.00 0.00 C ATOM 1123 CG LEU A 73 3.759 11.399 -5.172 1.00 0.00 C ATOM 1124 CD1 LEU A 73 4.874 12.349 -4.763 1.00 0.00 C ATOM 1125 CD2 LEU A 73 3.702 11.260 -6.686 1.00 0.00 C ATOM 0 H LEU A 73 1.981 10.654 -3.153 1.00 0.00 H new ATOM 0 HA LEU A 73 2.215 9.122 -5.396 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.337 10.187 -3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.716 9.489 -5.070 1.00 0.00 H new ATOM 0 HG LEU A 73 2.811 11.815 -4.830 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.721 13.317 -5.240 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.867 12.473 -3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.834 11.939 -5.075 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.565 12.243 -7.137 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.633 10.822 -7.046 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.867 10.615 -6.961 1.00 0.00 H new ATOM 1137 N ASP A 74 3.489 7.544 -2.784 1.00 0.00 N ATOM 1138 CA ASP A 74 3.890 6.232 -2.291 1.00 0.00 C ATOM 1139 C ASP A 74 2.758 5.222 -2.450 1.00 0.00 C ATOM 1140 O ASP A 74 2.940 4.157 -3.042 1.00 0.00 O ATOM 1141 CB ASP A 74 4.308 6.321 -0.822 1.00 0.00 C ATOM 1142 CG ASP A 74 5.604 7.086 -0.634 1.00 0.00 C ATOM 1143 OD1 ASP A 74 5.630 8.294 -0.948 1.00 0.00 O ATOM 1144 OD2 ASP A 74 6.592 6.476 -0.174 1.00 0.00 O ATOM 0 H ASP A 74 3.534 8.288 -2.088 1.00 0.00 H new ATOM 0 HA ASP A 74 4.740 5.894 -2.883 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.517 6.807 -0.251 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.421 5.315 -0.418 1.00 0.00 H new ATOM 1149 N VAL A 75 1.589 5.562 -1.918 1.00 0.00 N ATOM 1150 CA VAL A 75 0.427 4.686 -2.001 1.00 0.00 C ATOM 1151 C VAL A 75 0.161 4.259 -3.440 1.00 0.00 C ATOM 1152 O VAL A 75 0.251 3.078 -3.775 1.00 0.00 O ATOM 1153 CB VAL A 75 -0.834 5.370 -1.439 1.00 0.00 C ATOM 1154 CG1 VAL A 75 -2.017 4.415 -1.467 1.00 0.00 C ATOM 1155 CG2 VAL A 75 -0.580 5.876 -0.027 1.00 0.00 C ATOM 0 H VAL A 75 1.421 6.439 -1.424 1.00 0.00 H new ATOM 0 HA VAL A 75 0.652 3.805 -1.400 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.074 6.226 -2.070 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.898 4.916 -1.066 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.211 4.106 -2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.791 3.538 -0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.481 6.356 0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.315 5.038 0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.238 6.597 -0.040 1.00 0.00 H new ATOM 1165 N ARG A 76 -0.165 5.229 -4.288 1.00 0.00 N ATOM 1166 CA ARG A 76 -0.444 4.955 -5.692 1.00 0.00 C ATOM 1167 C ARG A 76 0.633 4.058 -6.295 1.00 0.00 C ATOM 1168 O ARG A 76 0.351 3.226 -7.159 1.00 0.00 O ATOM 1169 CB ARG A 76 -0.536 6.262 -6.481 1.00 0.00 C ATOM 1170 CG ARG A 76 -1.739 7.114 -6.112 1.00 0.00 C ATOM 1171 CD ARG A 76 -1.529 8.571 -6.494 1.00 0.00 C ATOM 1172 NE ARG A 76 -1.970 8.848 -7.858 1.00 0.00 N ATOM 1173 CZ ARG A 76 -1.217 8.639 -8.931 1.00 0.00 C ATOM 1174 NH1 ARG A 76 0.010 8.152 -8.800 1.00 0.00 N ATOM 1175 NH2 ARG A 76 -1.689 8.916 -10.140 1.00 0.00 N ATOM 0 H ARG A 76 -0.242 6.212 -4.027 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.400 4.436 -5.752 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.373 6.841 -6.316 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.578 6.031 -7.546 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.626 6.729 -6.615 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.923 7.041 -5.040 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.075 9.210 -5.800 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.473 8.823 -6.396 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.909 9.223 -7.994 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.377 7.937 -7.873 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.586 7.992 -9.626 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.632 9.290 -10.246 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.109 8.755 -10.963 1.00 0.00 H new ATOM 1189 N LEU A 77 1.867 4.234 -5.836 1.00 0.00 N ATOM 1190 CA LEU A 77 2.987 3.441 -6.330 1.00 0.00 C ATOM 1191 C LEU A 77 2.892 1.999 -5.841 1.00 0.00 C ATOM 1192 O LEU A 77 3.306 1.069 -6.533 1.00 0.00 O ATOM 1193 CB LEU A 77 4.312 4.058 -5.879 1.00 0.00 C ATOM 1194 CG LEU A 77 5.555 3.185 -6.058 1.00 0.00 C ATOM 1195 CD1 LEU A 77 6.075 3.282 -7.484 1.00 0.00 C ATOM 1196 CD2 LEU A 77 6.636 3.587 -5.066 1.00 0.00 C ATOM 0 H LEU A 77 2.117 4.919 -5.123 1.00 0.00 H new ATOM 0 HA LEU A 77 2.946 3.439 -7.419 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.463 4.987 -6.429 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.227 4.322 -4.825 1.00 0.00 H new ATOM 0 HG LEU A 77 5.279 2.149 -5.864 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.960 2.654 -7.592 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.304 2.945 -8.176 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.335 4.317 -7.707 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.513 2.955 -5.208 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.910 4.630 -5.229 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.261 3.465 -4.050 1.00 0.00 H new ATOM 1208 N VAL A 78 2.343 1.821 -4.643 1.00 0.00 N ATOM 1209 CA VAL A 78 2.190 0.493 -4.062 1.00 0.00 C ATOM 1210 C VAL A 78 1.349 -0.407 -4.961 1.00 0.00 C ATOM 1211 O VAL A 78 1.657 -1.584 -5.143 1.00 0.00 O ATOM 1212 CB VAL A 78 1.538 0.562 -2.668 1.00 0.00 C ATOM 1213 CG1 VAL A 78 1.154 -0.830 -2.189 1.00 0.00 C ATOM 1214 CG2 VAL A 78 2.473 1.236 -1.676 1.00 0.00 C ATOM 0 H VAL A 78 1.997 2.580 -4.056 1.00 0.00 H new ATOM 0 HA VAL A 78 3.191 0.072 -3.966 1.00 0.00 H new ATOM 0 HB VAL A 78 0.629 1.159 -2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.695 -0.762 -1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.446 -1.273 -2.889 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.046 -1.454 -2.132 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.996 1.276 -0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.400 0.667 -1.605 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.694 2.248 -2.014 1.00 0.00 H new ATOM 1224 N PHE A 79 0.284 0.157 -5.522 1.00 0.00 N ATOM 1225 CA PHE A 79 -0.604 -0.595 -6.402 1.00 0.00 C ATOM 1226 C PHE A 79 -0.057 -0.627 -7.827 1.00 0.00 C ATOM 1227 O PHE A 79 -0.563 -1.355 -8.681 1.00 0.00 O ATOM 1228 CB PHE A 79 -2.005 0.021 -6.395 1.00 0.00 C ATOM 1229 CG PHE A 79 -2.454 0.473 -5.035 1.00 0.00 C ATOM 1230 CD1 PHE A 79 -2.406 -0.391 -3.953 1.00 0.00 C ATOM 1231 CD2 PHE A 79 -2.923 1.762 -4.839 1.00 0.00 C ATOM 1232 CE1 PHE A 79 -2.820 0.023 -2.700 1.00 0.00 C ATOM 1233 CE2 PHE A 79 -3.337 2.181 -3.589 1.00 0.00 C ATOM 1234 CZ PHE A 79 -3.285 1.311 -2.518 1.00 0.00 C ATOM 0 H PHE A 79 0.015 1.131 -5.383 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.663 -1.618 -6.031 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.023 0.872 -7.076 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.716 -0.710 -6.780 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.041 -1.398 -4.089 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.965 2.447 -5.673 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.780 -0.660 -1.864 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.701 3.188 -3.450 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.607 1.637 -1.540 1.00 0.00 H new ATOM 1244 N ASP A 80 0.977 0.168 -8.075 1.00 0.00 N ATOM 1245 CA ASP A 80 1.594 0.232 -9.395 1.00 0.00 C ATOM 1246 C ASP A 80 2.642 -0.865 -9.558 1.00 0.00 C ATOM 1247 O ASP A 80 2.503 -1.749 -10.402 1.00 0.00 O ATOM 1248 CB ASP A 80 2.233 1.603 -9.617 1.00 0.00 C ATOM 1249 CG ASP A 80 3.078 1.651 -10.875 1.00 0.00 C ATOM 1250 OD1 ASP A 80 4.157 1.022 -10.890 1.00 0.00 O ATOM 1251 OD2 ASP A 80 2.660 2.316 -11.846 1.00 0.00 O ATOM 0 H ASP A 80 1.406 0.778 -7.379 1.00 0.00 H new ATOM 0 HA ASP A 80 0.815 0.079 -10.141 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.451 2.359 -9.679 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.853 1.855 -8.757 1.00 0.00 H new ATOM 1256 N ASN A 81 3.691 -0.799 -8.746 1.00 0.00 N ATOM 1257 CA ASN A 81 4.764 -1.785 -8.801 1.00 0.00 C ATOM 1258 C ASN A 81 4.203 -3.203 -8.756 1.00 0.00 C ATOM 1259 O ASN A 81 4.356 -3.973 -9.705 1.00 0.00 O ATOM 1260 CB ASN A 81 5.740 -1.574 -7.642 1.00 0.00 C ATOM 1261 CG ASN A 81 5.042 -1.120 -6.374 1.00 0.00 C ATOM 1262 OD1 ASN A 81 3.826 -1.256 -6.240 1.00 0.00 O ATOM 1263 ND2 ASN A 81 5.811 -0.578 -5.437 1.00 0.00 N ATOM 0 H ASN A 81 3.821 -0.073 -8.042 1.00 0.00 H new ATOM 0 HA ASN A 81 5.296 -1.653 -9.743 1.00 0.00 H new ATOM 0 HB2 ASN A 81 6.274 -2.504 -7.447 1.00 0.00 H new ATOM 0 HB3 ASN A 81 6.485 -0.832 -7.929 1.00 0.00 H new ATOM 0 HD21 ASN A 81 5.398 -0.254 -4.562 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.815 -0.485 -5.592 1.00 0.00 H new ATOM 1270 N CYS A 82 3.552 -3.540 -7.648 1.00 0.00 N ATOM 1271 CA CYS A 82 2.967 -4.866 -7.479 1.00 0.00 C ATOM 1272 C CYS A 82 2.274 -5.322 -8.759 1.00 0.00 C ATOM 1273 O CYS A 82 2.551 -6.405 -9.273 1.00 0.00 O ATOM 1274 CB CYS A 82 1.971 -4.862 -6.318 1.00 0.00 C ATOM 1275 SG CYS A 82 2.726 -5.130 -4.697 1.00 0.00 S ATOM 0 H CYS A 82 3.416 -2.914 -6.854 1.00 0.00 H new ATOM 0 HA CYS A 82 3.772 -5.566 -7.255 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.444 -3.908 -6.308 1.00 0.00 H new ATOM 0 HB3 CYS A 82 1.224 -5.637 -6.492 1.00 0.00 H new ATOM 0 HG CYS A 82 1.940 -4.668 -3.770 1.00 0.00 H new ATOM 1281 N GLU A 83 1.371 -4.489 -9.265 1.00 0.00 N ATOM 1282 CA GLU A 83 0.636 -4.808 -10.484 1.00 0.00 C ATOM 1283 C GLU A 83 1.577 -5.334 -11.564 1.00 0.00 C ATOM 1284 O GLU A 83 1.225 -6.236 -12.325 1.00 0.00 O ATOM 1285 CB GLU A 83 -0.108 -3.573 -10.996 1.00 0.00 C ATOM 1286 CG GLU A 83 -0.615 -3.716 -12.421 1.00 0.00 C ATOM 1287 CD GLU A 83 0.502 -3.660 -13.446 1.00 0.00 C ATOM 1288 OE1 GLU A 83 1.194 -2.624 -13.514 1.00 0.00 O ATOM 1289 OE2 GLU A 83 0.683 -4.655 -14.180 1.00 0.00 O ATOM 0 H GLU A 83 1.130 -3.589 -8.851 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.089 -5.587 -10.248 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.952 -3.369 -10.338 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.556 -2.710 -10.940 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.147 -4.662 -12.520 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.334 -2.923 -12.628 1.00 0.00 H new ATOM 1296 N THR A 84 2.776 -4.763 -11.626 1.00 0.00 N ATOM 1297 CA THR A 84 3.767 -5.172 -12.613 1.00 0.00 C ATOM 1298 C THR A 84 4.294 -6.571 -12.316 1.00 0.00 C ATOM 1299 O THR A 84 4.196 -7.472 -13.149 1.00 0.00 O ATOM 1300 CB THR A 84 4.951 -4.188 -12.660 1.00 0.00 C ATOM 1301 OG1 THR A 84 4.508 -2.909 -13.127 1.00 0.00 O ATOM 1302 CG2 THR A 84 6.053 -4.711 -13.569 1.00 0.00 C ATOM 0 H THR A 84 3.084 -4.016 -11.004 1.00 0.00 H new ATOM 0 HA THR A 84 3.267 -5.174 -13.582 1.00 0.00 H new ATOM 0 HB THR A 84 5.351 -4.087 -11.651 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.537 -2.927 -13.259 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.879 -3.999 -13.586 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.409 -5.671 -13.194 1.00 0.00 H new ATOM 0 HG23 THR A 84 5.662 -4.838 -14.579 1.00 0.00 H new ATOM 1310 N PHE A 85 4.854 -6.746 -11.124 1.00 0.00 N ATOM 1311 CA PHE A 85 5.398 -8.037 -10.717 1.00 0.00 C ATOM 1312 C PHE A 85 4.309 -9.105 -10.702 1.00 0.00 C ATOM 1313 O PHE A 85 4.404 -10.113 -11.401 1.00 0.00 O ATOM 1314 CB PHE A 85 6.042 -7.929 -9.333 1.00 0.00 C ATOM 1315 CG PHE A 85 7.037 -9.018 -9.048 1.00 0.00 C ATOM 1316 CD1 PHE A 85 8.300 -8.986 -9.616 1.00 0.00 C ATOM 1317 CD2 PHE A 85 6.708 -10.074 -8.213 1.00 0.00 C ATOM 1318 CE1 PHE A 85 9.218 -9.987 -9.356 1.00 0.00 C ATOM 1319 CE2 PHE A 85 7.621 -11.077 -7.949 1.00 0.00 C ATOM 1320 CZ PHE A 85 8.877 -11.034 -8.522 1.00 0.00 C ATOM 0 H PHE A 85 4.943 -6.011 -10.423 1.00 0.00 H new ATOM 0 HA PHE A 85 6.158 -8.328 -11.442 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.538 -6.962 -9.247 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.260 -7.955 -8.574 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.571 -8.170 -10.269 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.727 -10.113 -7.763 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.200 -9.950 -9.804 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.353 -11.894 -7.295 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.591 -11.818 -8.318 1.00 0.00 H new ATOM 1330 N ASN A 86 3.275 -8.877 -9.898 1.00 0.00 N ATOM 1331 CA ASN A 86 2.168 -9.820 -9.791 1.00 0.00 C ATOM 1332 C ASN A 86 1.365 -9.867 -11.087 1.00 0.00 C ATOM 1333 O ASN A 86 1.470 -8.972 -11.926 1.00 0.00 O ATOM 1334 CB ASN A 86 1.254 -9.435 -8.625 1.00 0.00 C ATOM 1335 CG ASN A 86 1.943 -9.569 -7.281 1.00 0.00 C ATOM 1336 OD1 ASN A 86 2.125 -10.675 -6.773 1.00 0.00 O ATOM 1337 ND2 ASN A 86 2.330 -8.440 -6.699 1.00 0.00 N ATOM 0 H ASN A 86 3.181 -8.048 -9.312 1.00 0.00 H new ATOM 0 HA ASN A 86 2.584 -10.810 -9.607 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.916 -8.407 -8.756 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.366 -10.067 -8.639 1.00 0.00 H new ATOM 0 HD21 ASN A 86 2.799 -8.468 -5.794 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.158 -7.545 -7.157 1.00 0.00 H new ATOM 1344 N GLU A 87 0.564 -10.916 -11.243 1.00 0.00 N ATOM 1345 CA GLU A 87 -0.257 -11.079 -12.437 1.00 0.00 C ATOM 1346 C GLU A 87 -1.741 -11.068 -12.084 1.00 0.00 C ATOM 1347 O GLU A 87 -2.131 -11.460 -10.983 1.00 0.00 O ATOM 1348 CB GLU A 87 0.099 -12.384 -13.153 1.00 0.00 C ATOM 1349 CG GLU A 87 1.207 -12.232 -14.181 1.00 0.00 C ATOM 1350 CD GLU A 87 0.717 -11.625 -15.481 1.00 0.00 C ATOM 1351 OE1 GLU A 87 -0.209 -12.197 -16.092 1.00 0.00 O ATOM 1352 OE2 GLU A 87 1.261 -10.576 -15.888 1.00 0.00 O ATOM 0 H GLU A 87 0.466 -11.665 -10.558 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.054 -10.240 -13.103 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.401 -13.124 -12.412 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.792 -12.773 -13.646 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.998 -11.606 -13.767 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.646 -13.209 -14.383 1.00 0.00 H new ATOM 1359 N ASP A 88 -2.564 -10.616 -13.024 1.00 0.00 N ATOM 1360 CA ASP A 88 -4.005 -10.554 -12.813 1.00 0.00 C ATOM 1361 C ASP A 88 -4.566 -11.934 -12.481 1.00 0.00 C ATOM 1362 O ASP A 88 -5.544 -12.057 -11.744 1.00 0.00 O ATOM 1363 CB ASP A 88 -4.700 -9.992 -14.054 1.00 0.00 C ATOM 1364 CG ASP A 88 -6.140 -9.601 -13.784 1.00 0.00 C ATOM 1365 OD1 ASP A 88 -6.869 -10.408 -13.171 1.00 0.00 O ATOM 1366 OD2 ASP A 88 -6.538 -8.487 -14.186 1.00 0.00 O ATOM 0 H ASP A 88 -2.257 -10.287 -13.940 1.00 0.00 H new ATOM 0 HA ASP A 88 -4.195 -9.892 -11.968 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.151 -9.121 -14.411 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.672 -10.735 -14.851 1.00 0.00 H new ATOM 1371 N ASP A 89 -3.940 -12.968 -13.032 1.00 0.00 N ATOM 1372 CA ASP A 89 -4.377 -14.340 -12.795 1.00 0.00 C ATOM 1373 C ASP A 89 -4.108 -14.754 -11.351 1.00 0.00 C ATOM 1374 O ASP A 89 -4.664 -15.738 -10.864 1.00 0.00 O ATOM 1375 CB ASP A 89 -3.666 -15.296 -13.753 1.00 0.00 C ATOM 1376 CG ASP A 89 -3.398 -14.667 -15.106 1.00 0.00 C ATOM 1377 OD1 ASP A 89 -4.230 -13.852 -15.557 1.00 0.00 O ATOM 1378 OD2 ASP A 89 -2.356 -14.989 -15.714 1.00 0.00 O ATOM 0 H ASP A 89 -3.129 -12.883 -13.645 1.00 0.00 H new ATOM 0 HA ASP A 89 -5.451 -14.390 -12.974 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -2.722 -15.614 -13.310 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -4.274 -16.191 -13.886 1.00 0.00 H new ATOM 1383 N SER A 90 -3.251 -13.997 -10.673 1.00 0.00 N ATOM 1384 CA SER A 90 -2.905 -14.288 -9.287 1.00 0.00 C ATOM 1385 C SER A 90 -3.832 -13.547 -8.329 1.00 0.00 C ATOM 1386 O SER A 90 -4.483 -12.572 -8.706 1.00 0.00 O ATOM 1387 CB SER A 90 -1.451 -13.900 -9.010 1.00 0.00 C ATOM 1388 OG SER A 90 -1.351 -12.542 -8.619 1.00 0.00 O ATOM 0 H SER A 90 -2.784 -13.178 -11.061 1.00 0.00 H new ATOM 0 HA SER A 90 -3.025 -15.359 -9.126 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.044 -14.538 -8.226 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.850 -14.070 -9.903 1.00 0.00 H new ATOM 0 HG SER A 90 -1.633 -11.966 -9.361 1.00 0.00 H new ATOM 1394 N ASP A 91 -3.886 -14.016 -7.087 1.00 0.00 N ATOM 1395 CA ASP A 91 -4.733 -13.398 -6.072 1.00 0.00 C ATOM 1396 C ASP A 91 -4.324 -11.948 -5.833 1.00 0.00 C ATOM 1397 O ASP A 91 -5.156 -11.042 -5.888 1.00 0.00 O ATOM 1398 CB ASP A 91 -4.654 -14.186 -4.764 1.00 0.00 C ATOM 1399 CG ASP A 91 -5.173 -15.603 -4.908 1.00 0.00 C ATOM 1400 OD1 ASP A 91 -4.400 -16.476 -5.356 1.00 0.00 O ATOM 1401 OD2 ASP A 91 -6.352 -15.839 -4.572 1.00 0.00 O ATOM 0 H ASP A 91 -3.354 -14.822 -6.759 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.761 -13.411 -6.434 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.619 -14.214 -4.423 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.229 -13.668 -3.996 1.00 0.00 H new ATOM 1406 N ILE A 92 -3.039 -11.737 -5.568 1.00 0.00 N ATOM 1407 CA ILE A 92 -2.521 -10.397 -5.321 1.00 0.00 C ATOM 1408 C ILE A 92 -2.841 -9.461 -6.482 1.00 0.00 C ATOM 1409 O ILE A 92 -3.290 -8.334 -6.279 1.00 0.00 O ATOM 1410 CB ILE A 92 -0.998 -10.415 -5.095 1.00 0.00 C ATOM 1411 CG1 ILE A 92 -0.666 -11.093 -3.764 1.00 0.00 C ATOM 1412 CG2 ILE A 92 -0.441 -9.000 -5.129 1.00 0.00 C ATOM 1413 CD1 ILE A 92 0.808 -11.071 -3.427 1.00 0.00 C ATOM 0 H ILE A 92 -2.338 -12.476 -5.519 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.010 -10.031 -4.418 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.533 -10.987 -5.898 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.220 -10.600 -2.966 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.008 -12.128 -3.797 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.637 -9.029 -4.968 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.651 -8.550 -6.099 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.909 -8.406 -4.344 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.970 -11.569 -2.471 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.367 -11.590 -4.206 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.151 -10.038 -3.361 1.00 0.00 H new ATOM 1425 N GLY A 93 -2.607 -9.938 -7.701 1.00 0.00 N ATOM 1426 CA GLY A 93 -2.877 -9.132 -8.877 1.00 0.00 C ATOM 1427 C GLY A 93 -4.262 -8.517 -8.853 1.00 0.00 C ATOM 1428 O GLY A 93 -4.409 -7.298 -8.942 1.00 0.00 O ATOM 0 H GLY A 93 -2.235 -10.868 -7.895 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.132 -8.339 -8.949 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.773 -9.750 -9.769 1.00 0.00 H new ATOM 1432 N ARG A 94 -5.281 -9.362 -8.734 1.00 0.00 N ATOM 1433 CA ARG A 94 -6.661 -8.895 -8.702 1.00 0.00 C ATOM 1434 C ARG A 94 -6.866 -7.880 -7.582 1.00 0.00 C ATOM 1435 O ARG A 94 -7.682 -6.966 -7.700 1.00 0.00 O ATOM 1436 CB ARG A 94 -7.617 -10.075 -8.516 1.00 0.00 C ATOM 1437 CG ARG A 94 -7.428 -11.180 -9.542 1.00 0.00 C ATOM 1438 CD ARG A 94 -8.555 -12.200 -9.477 1.00 0.00 C ATOM 1439 NE ARG A 94 -8.282 -13.255 -8.505 1.00 0.00 N ATOM 1440 CZ ARG A 94 -9.226 -14.020 -7.967 1.00 0.00 C ATOM 1441 NH1 ARG A 94 -10.496 -13.848 -8.305 1.00 0.00 N ATOM 1442 NH2 ARG A 94 -8.899 -14.960 -7.090 1.00 0.00 N ATOM 0 H ARG A 94 -5.176 -10.374 -8.658 1.00 0.00 H new ATOM 0 HA ARG A 94 -6.875 -8.409 -9.654 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.478 -10.490 -7.518 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.643 -9.712 -8.570 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.385 -10.747 -10.541 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.474 -11.679 -9.370 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.485 -11.696 -9.214 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -8.700 -12.643 -10.462 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.314 -13.413 -8.224 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.751 -13.127 -8.980 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.218 -14.437 -7.890 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -7.923 -15.096 -6.828 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -9.624 -15.547 -6.677 1.00 0.00 H new ATOM 1456 N ALA A 95 -6.119 -8.046 -6.496 1.00 0.00 N ATOM 1457 CA ALA A 95 -6.216 -7.143 -5.355 1.00 0.00 C ATOM 1458 C ALA A 95 -5.705 -5.752 -5.711 1.00 0.00 C ATOM 1459 O ALA A 95 -6.350 -4.747 -5.413 1.00 0.00 O ATOM 1460 CB ALA A 95 -5.445 -7.705 -4.170 1.00 0.00 C ATOM 0 H ALA A 95 -5.439 -8.798 -6.382 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.267 -7.055 -5.081 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.526 -7.021 -3.326 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.860 -8.674 -3.893 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.396 -7.823 -4.442 1.00 0.00 H new ATOM 1466 N GLY A 96 -4.540 -5.700 -6.351 1.00 0.00 N ATOM 1467 CA GLY A 96 -3.961 -4.426 -6.736 1.00 0.00 C ATOM 1468 C GLY A 96 -4.931 -3.560 -7.515 1.00 0.00 C ATOM 1469 O GLY A 96 -5.035 -2.358 -7.271 1.00 0.00 O ATOM 0 H GLY A 96 -3.987 -6.517 -6.609 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.639 -3.892 -5.842 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.071 -4.603 -7.340 1.00 0.00 H new ATOM 1473 N HIS A 97 -5.644 -4.171 -8.456 1.00 0.00 N ATOM 1474 CA HIS A 97 -6.610 -3.448 -9.274 1.00 0.00 C ATOM 1475 C HIS A 97 -7.676 -2.791 -8.403 1.00 0.00 C ATOM 1476 O HIS A 97 -8.054 -1.642 -8.628 1.00 0.00 O ATOM 1477 CB HIS A 97 -7.267 -4.393 -10.280 1.00 0.00 C ATOM 1478 CG HIS A 97 -6.409 -4.692 -11.471 1.00 0.00 C ATOM 1479 ND1 HIS A 97 -6.163 -3.775 -12.471 1.00 0.00 N ATOM 1480 CD2 HIS A 97 -5.736 -5.814 -11.818 1.00 0.00 C ATOM 1481 CE1 HIS A 97 -5.377 -4.320 -13.382 1.00 0.00 C ATOM 1482 NE2 HIS A 97 -5.104 -5.558 -13.009 1.00 0.00 N ATOM 0 H HIS A 97 -5.571 -5.165 -8.671 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.077 -2.667 -9.816 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.516 -5.328 -9.778 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -8.205 -3.954 -10.620 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -5.703 -6.739 -11.261 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.019 -3.836 -14.279 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.519 -6.216 -13.523 1.00 0.00 H new ATOM 1490 N ASN A 98 -8.158 -3.530 -7.408 1.00 0.00 N ATOM 1491 CA ASN A 98 -9.182 -3.020 -6.504 1.00 0.00 C ATOM 1492 C ASN A 98 -8.643 -1.862 -5.669 1.00 0.00 C ATOM 1493 O ASN A 98 -9.237 -0.785 -5.627 1.00 0.00 O ATOM 1494 CB ASN A 98 -9.682 -4.136 -5.585 1.00 0.00 C ATOM 1495 CG ASN A 98 -10.850 -4.897 -6.182 1.00 0.00 C ATOM 1496 OD1 ASN A 98 -11.385 -4.517 -7.223 1.00 0.00 O ATOM 1497 ND2 ASN A 98 -11.251 -5.977 -5.522 1.00 0.00 N ATOM 0 H ASN A 98 -7.856 -4.483 -7.208 1.00 0.00 H new ATOM 0 HA ASN A 98 -10.014 -2.654 -7.106 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -8.866 -4.829 -5.383 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -9.982 -3.708 -4.628 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -12.033 -6.529 -5.875 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.777 -6.255 -4.662 1.00 0.00 H new ATOM 1504 N MET A 99 -7.513 -2.092 -5.008 1.00 0.00 N ATOM 1505 CA MET A 99 -6.893 -1.067 -4.176 1.00 0.00 C ATOM 1506 C MET A 99 -6.835 0.268 -4.911 1.00 0.00 C ATOM 1507 O MET A 99 -7.321 1.283 -4.413 1.00 0.00 O ATOM 1508 CB MET A 99 -5.484 -1.498 -3.764 1.00 0.00 C ATOM 1509 CG MET A 99 -5.441 -2.257 -2.448 1.00 0.00 C ATOM 1510 SD MET A 99 -5.176 -1.174 -1.031 1.00 0.00 S ATOM 1511 CE MET A 99 -6.865 -0.842 -0.538 1.00 0.00 C ATOM 0 H MET A 99 -7.008 -2.978 -5.032 1.00 0.00 H new ATOM 0 HA MET A 99 -7.503 -0.942 -3.281 1.00 0.00 H new ATOM 0 HB2 MET A 99 -5.060 -2.124 -4.549 1.00 0.00 H new ATOM 0 HB3 MET A 99 -4.851 -0.614 -3.685 1.00 0.00 H new ATOM 0 HG2 MET A 99 -6.377 -2.800 -2.315 1.00 0.00 H new ATOM 0 HG3 MET A 99 -4.644 -3.000 -2.487 1.00 0.00 H new ATOM 0 HE1 MET A 99 -7.117 0.192 -0.775 1.00 0.00 H new ATOM 0 HE2 MET A 99 -7.538 -1.512 -1.073 1.00 0.00 H new ATOM 0 HE3 MET A 99 -6.969 -1.004 0.535 1.00 0.00 H new ATOM 1521 N ARG A 100 -6.237 0.260 -6.098 1.00 0.00 N ATOM 1522 CA ARG A 100 -6.114 1.471 -6.900 1.00 0.00 C ATOM 1523 C ARG A 100 -7.439 2.224 -6.954 1.00 0.00 C ATOM 1524 O ARG A 100 -7.503 3.413 -6.641 1.00 0.00 O ATOM 1525 CB ARG A 100 -5.654 1.124 -8.318 1.00 0.00 C ATOM 1526 CG ARG A 100 -5.721 2.296 -9.283 1.00 0.00 C ATOM 1527 CD ARG A 100 -5.522 1.845 -10.722 1.00 0.00 C ATOM 1528 NE ARG A 100 -4.110 1.815 -11.095 1.00 0.00 N ATOM 1529 CZ ARG A 100 -3.391 2.905 -11.339 1.00 0.00 C ATOM 1530 NH1 ARG A 100 -3.948 4.105 -11.249 1.00 0.00 N ATOM 1531 NH2 ARG A 100 -2.112 2.796 -11.674 1.00 0.00 N ATOM 0 H ARG A 100 -5.830 -0.572 -6.525 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.370 2.114 -6.430 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.629 0.755 -8.278 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.271 0.312 -8.703 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.686 2.793 -9.187 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.957 3.028 -9.021 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -5.953 0.853 -10.854 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.060 2.518 -11.390 1.00 0.00 H new ATOM 0 HE ARG A 100 -3.651 0.907 -11.172 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -4.931 4.193 -10.992 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -3.393 4.940 -11.437 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.680 1.875 -11.744 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.561 3.633 -11.861 1.00 0.00 H new ATOM 1545 N LYS A 101 -8.496 1.525 -7.353 1.00 0.00 N ATOM 1546 CA LYS A 101 -9.821 2.126 -7.448 1.00 0.00 C ATOM 1547 C LYS A 101 -10.277 2.653 -6.091 1.00 0.00 C ATOM 1548 O LYS A 101 -10.972 3.666 -6.010 1.00 0.00 O ATOM 1549 CB LYS A 101 -10.831 1.104 -7.975 1.00 0.00 C ATOM 1550 CG LYS A 101 -10.683 0.812 -9.458 1.00 0.00 C ATOM 1551 CD LYS A 101 -11.701 -0.212 -9.930 1.00 0.00 C ATOM 1552 CE LYS A 101 -11.155 -1.628 -9.830 1.00 0.00 C ATOM 1553 NZ LYS A 101 -10.247 -1.954 -10.964 1.00 0.00 N ATOM 0 H LYS A 101 -8.461 0.540 -7.616 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.764 2.963 -8.144 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.719 0.174 -7.417 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.840 1.471 -7.784 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.804 1.735 -10.025 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.677 0.445 -9.659 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.608 -0.128 -9.331 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.980 -0.000 -10.962 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.617 -1.744 -8.889 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.983 -2.336 -9.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -10.499 -2.884 -11.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -10.343 -1.230 -11.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -9.264 -1.976 -10.626 1.00 0.00 H new ATOM 1567 N TYR A 102 -9.881 1.961 -5.029 1.00 0.00 N ATOM 1568 CA TYR A 102 -10.250 2.359 -3.676 1.00 0.00 C ATOM 1569 C TYR A 102 -9.563 3.664 -3.286 1.00 0.00 C ATOM 1570 O TYR A 102 -10.218 4.686 -3.075 1.00 0.00 O ATOM 1571 CB TYR A 102 -9.883 1.259 -2.679 1.00 0.00 C ATOM 1572 CG TYR A 102 -10.602 1.376 -1.355 1.00 0.00 C ATOM 1573 CD1 TYR A 102 -10.179 2.281 -0.389 1.00 0.00 C ATOM 1574 CD2 TYR A 102 -11.707 0.583 -1.069 1.00 0.00 C ATOM 1575 CE1 TYR A 102 -10.833 2.391 0.823 1.00 0.00 C ATOM 1576 CE2 TYR A 102 -12.368 0.687 0.139 1.00 0.00 C ATOM 1577 CZ TYR A 102 -11.927 1.592 1.082 1.00 0.00 C ATOM 1578 OH TYR A 102 -12.582 1.699 2.287 1.00 0.00 O ATOM 0 H TYR A 102 -9.304 1.121 -5.079 1.00 0.00 H new ATOM 0 HA TYR A 102 -11.328 2.515 -3.653 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -10.110 0.289 -3.121 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -8.808 1.285 -2.502 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -9.324 2.910 -0.589 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -12.055 -0.127 -1.805 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -10.490 3.098 1.563 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -13.225 0.063 0.344 1.00 0.00 H new ATOM 0 HH TYR A 102 -13.331 1.067 2.309 1.00 0.00 H new ATOM 1588 N PHE A 103 -8.238 3.623 -3.192 1.00 0.00 N ATOM 1589 CA PHE A 103 -7.460 4.801 -2.827 1.00 0.00 C ATOM 1590 C PHE A 103 -8.049 6.059 -3.460 1.00 0.00 C ATOM 1591 O PHE A 103 -8.030 7.134 -2.861 1.00 0.00 O ATOM 1592 CB PHE A 103 -6.004 4.632 -3.264 1.00 0.00 C ATOM 1593 CG PHE A 103 -5.177 5.874 -3.089 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -4.832 6.320 -1.823 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -4.746 6.595 -4.190 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -4.071 7.462 -1.659 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -3.985 7.738 -4.032 1.00 0.00 C ATOM 1598 CZ PHE A 103 -3.648 8.173 -2.765 1.00 0.00 C ATOM 0 H PHE A 103 -7.680 2.786 -3.364 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.497 4.908 -1.743 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -5.553 3.821 -2.692 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.980 4.334 -4.312 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -5.162 5.769 -0.955 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -5.007 6.261 -5.183 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -3.807 7.798 -0.667 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -3.654 8.291 -4.899 1.00 0.00 H new ATOM 0 HZ PHE A 103 -3.055 9.067 -2.640 1.00 0.00 H new ATOM 1608 N GLU A 104 -8.571 5.915 -4.673 1.00 0.00 N ATOM 1609 CA GLU A 104 -9.165 7.040 -5.387 1.00 0.00 C ATOM 1610 C GLU A 104 -10.511 7.422 -4.778 1.00 0.00 C ATOM 1611 O GLU A 104 -10.723 8.568 -4.383 1.00 0.00 O ATOM 1612 CB GLU A 104 -9.342 6.696 -6.868 1.00 0.00 C ATOM 1613 CG GLU A 104 -8.030 6.469 -7.601 1.00 0.00 C ATOM 1614 CD GLU A 104 -8.227 6.214 -9.083 1.00 0.00 C ATOM 1615 OE1 GLU A 104 -8.742 5.134 -9.436 1.00 0.00 O ATOM 1616 OE2 GLU A 104 -7.865 7.097 -9.889 1.00 0.00 O ATOM 0 H GLU A 104 -8.595 5.032 -5.182 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.491 7.892 -5.297 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.956 5.799 -6.953 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.887 7.503 -7.357 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.388 7.340 -7.468 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.511 5.620 -7.156 1.00 0.00 H new ATOM 1623 N LYS A 105 -11.417 6.453 -4.707 1.00 0.00 N ATOM 1624 CA LYS A 105 -12.743 6.686 -4.146 1.00 0.00 C ATOM 1625 C LYS A 105 -12.645 7.232 -2.725 1.00 0.00 C ATOM 1626 O LYS A 105 -13.478 8.032 -2.297 1.00 0.00 O ATOM 1627 CB LYS A 105 -13.555 5.389 -4.150 1.00 0.00 C ATOM 1628 CG LYS A 105 -14.172 5.061 -5.498 1.00 0.00 C ATOM 1629 CD LYS A 105 -15.408 5.904 -5.766 1.00 0.00 C ATOM 1630 CE LYS A 105 -16.598 5.423 -4.950 1.00 0.00 C ATOM 1631 NZ LYS A 105 -17.281 4.267 -5.595 1.00 0.00 N ATOM 0 H LYS A 105 -11.258 5.499 -5.031 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.248 7.426 -4.767 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -12.909 4.565 -3.845 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.348 5.464 -3.406 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.438 5.230 -6.286 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.437 4.004 -5.530 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -15.198 6.946 -5.526 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.653 5.865 -6.827 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -16.263 5.137 -3.953 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -17.308 6.241 -4.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -18.086 3.968 -5.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -17.623 4.547 -6.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -16.611 3.477 -5.691 1.00 0.00 H new ATOM 1645 N LYS A 106 -11.621 6.798 -1.999 1.00 0.00 N ATOM 1646 CA LYS A 106 -11.411 7.245 -0.627 1.00 0.00 C ATOM 1647 C LYS A 106 -10.750 8.620 -0.598 1.00 0.00 C ATOM 1648 O LYS A 106 -11.192 9.515 0.122 1.00 0.00 O ATOM 1649 CB LYS A 106 -10.547 6.236 0.134 1.00 0.00 C ATOM 1650 CG LYS A 106 -10.218 6.666 1.553 1.00 0.00 C ATOM 1651 CD LYS A 106 -11.443 6.612 2.450 1.00 0.00 C ATOM 1652 CE LYS A 106 -11.224 7.389 3.739 1.00 0.00 C ATOM 1653 NZ LYS A 106 -11.530 8.837 3.573 1.00 0.00 N ATOM 0 H LYS A 106 -10.923 6.136 -2.338 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.385 7.319 -0.142 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.064 5.277 0.165 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.618 6.079 -0.414 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.440 6.020 1.959 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.817 7.680 1.543 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.303 7.021 1.919 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -11.678 5.574 2.685 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.854 6.973 4.525 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.190 7.271 4.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -11.417 9.322 4.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -10.878 9.252 2.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.509 8.949 3.240 1.00 0.00 H new ATOM 1667 N TRP A 107 -9.693 8.779 -1.385 1.00 0.00 N ATOM 1668 CA TRP A 107 -8.973 10.046 -1.450 1.00 0.00 C ATOM 1669 C TRP A 107 -9.894 11.173 -1.904 1.00 0.00 C ATOM 1670 O TRP A 107 -9.995 12.210 -1.247 1.00 0.00 O ATOM 1671 CB TRP A 107 -7.781 9.930 -2.401 1.00 0.00 C ATOM 1672 CG TRP A 107 -6.881 11.129 -2.375 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -7.031 12.282 -3.091 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -5.692 11.291 -1.594 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -6.007 13.151 -2.803 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -5.173 12.568 -1.887 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -5.017 10.484 -0.675 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -4.010 13.052 -1.293 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -3.863 10.966 -0.087 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -3.369 12.240 -0.397 1.00 0.00 C ATOM 0 H TRP A 107 -9.315 8.047 -1.987 1.00 0.00 H new ATOM 0 HA TRP A 107 -8.609 10.281 -0.450 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -7.202 9.044 -2.140 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -8.149 9.783 -3.416 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -7.836 12.481 -3.782 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -5.887 14.080 -3.206 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -5.390 9.501 -0.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -3.627 14.034 -1.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -3.333 10.350 0.624 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -2.465 12.588 0.080 1.00 0.00 H new ATOM 1691 N THR A 108 -10.566 10.964 -3.032 1.00 0.00 N ATOM 1692 CA THR A 108 -11.478 11.963 -3.574 1.00 0.00 C ATOM 1693 C THR A 108 -12.523 12.371 -2.542 1.00 0.00 C ATOM 1694 O THR A 108 -12.941 13.528 -2.492 1.00 0.00 O ATOM 1695 CB THR A 108 -12.194 11.445 -4.836 1.00 0.00 C ATOM 1696 OG1 THR A 108 -12.867 12.523 -5.495 1.00 0.00 O ATOM 1697 CG2 THR A 108 -13.195 10.356 -4.481 1.00 0.00 C ATOM 0 H THR A 108 -10.496 10.112 -3.588 1.00 0.00 H new ATOM 0 HA THR A 108 -10.874 12.831 -3.839 1.00 0.00 H new ATOM 0 HB THR A 108 -11.444 11.023 -5.505 1.00 0.00 H new ATOM 0 HG1 THR A 108 -13.318 12.186 -6.297 1.00 0.00 H new ATOM 0 HG21 THR A 108 -13.688 10.006 -5.388 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.675 9.524 -4.006 1.00 0.00 H new ATOM 0 HG23 THR A 108 -13.940 10.757 -3.794 1.00 0.00 H new ATOM 1705 N ASP A 109 -12.940 11.415 -1.720 1.00 0.00 N ATOM 1706 CA ASP A 109 -13.936 11.675 -0.687 1.00 0.00 C ATOM 1707 C ASP A 109 -13.308 12.391 0.505 1.00 0.00 C ATOM 1708 O ASP A 109 -13.980 13.130 1.225 1.00 0.00 O ATOM 1709 CB ASP A 109 -14.582 10.367 -0.230 1.00 0.00 C ATOM 1710 CG ASP A 109 -15.994 10.567 0.286 1.00 0.00 C ATOM 1711 OD1 ASP A 109 -16.771 11.284 -0.379 1.00 0.00 O ATOM 1712 OD2 ASP A 109 -16.321 10.008 1.354 1.00 0.00 O ATOM 0 H ASP A 109 -12.604 10.452 -1.749 1.00 0.00 H new ATOM 0 HA ASP A 109 -14.704 12.321 -1.112 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -14.599 9.663 -1.062 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -13.972 9.919 0.554 1.00 0.00 H new ATOM 1717 N THR A 110 -12.014 12.164 0.710 1.00 0.00 N ATOM 1718 CA THR A 110 -11.295 12.784 1.816 1.00 0.00 C ATOM 1719 C THR A 110 -11.094 14.276 1.574 1.00 0.00 C ATOM 1720 O THR A 110 -11.634 15.111 2.300 1.00 0.00 O ATOM 1721 CB THR A 110 -9.921 12.122 2.035 1.00 0.00 C ATOM 1722 OG1 THR A 110 -10.082 10.712 2.225 1.00 0.00 O ATOM 1723 CG2 THR A 110 -9.217 12.724 3.242 1.00 0.00 C ATOM 0 H THR A 110 -11.443 11.555 0.124 1.00 0.00 H new ATOM 0 HA THR A 110 -11.905 12.642 2.708 1.00 0.00 H new ATOM 0 HB THR A 110 -9.310 12.302 1.150 1.00 0.00 H new ATOM 0 HG1 THR A 110 -10.328 10.293 1.374 1.00 0.00 H new ATOM 0 HG21 THR A 110 -8.249 12.241 3.377 1.00 0.00 H new ATOM 0 HG22 THR A 110 -9.070 13.792 3.082 1.00 0.00 H new ATOM 0 HG23 THR A 110 -9.826 12.571 4.133 1.00 0.00 H new ATOM 1731 N PHE A 111 -10.316 14.605 0.548 1.00 0.00 N ATOM 1732 CA PHE A 111 -10.044 15.997 0.210 1.00 0.00 C ATOM 1733 C PHE A 111 -10.947 16.467 -0.927 1.00 0.00 C ATOM 1734 O PHE A 111 -11.772 17.363 -0.750 1.00 0.00 O ATOM 1735 CB PHE A 111 -8.576 16.171 -0.184 1.00 0.00 C ATOM 1736 CG PHE A 111 -7.615 15.577 0.806 1.00 0.00 C ATOM 1737 CD1 PHE A 111 -7.267 14.238 0.736 1.00 0.00 C ATOM 1738 CD2 PHE A 111 -7.059 16.359 1.807 1.00 0.00 C ATOM 1739 CE1 PHE A 111 -6.384 13.689 1.647 1.00 0.00 C ATOM 1740 CE2 PHE A 111 -6.175 15.816 2.720 1.00 0.00 C ATOM 1741 CZ PHE A 111 -5.836 14.479 2.639 1.00 0.00 C ATOM 0 H PHE A 111 -9.863 13.926 -0.064 1.00 0.00 H new ATOM 0 HA PHE A 111 -10.251 16.606 1.090 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -8.413 15.710 -1.158 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -8.361 17.234 -0.294 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -7.690 13.616 -0.039 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -7.320 17.405 1.874 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -6.123 12.643 1.583 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.750 16.436 3.496 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.144 14.052 3.350 1.00 0.00 H new ATOM 1751 N LYS A 112 -10.783 15.855 -2.095 1.00 0.00 N ATOM 1752 CA LYS A 112 -11.582 16.209 -3.262 1.00 0.00 C ATOM 1753 C LYS A 112 -13.067 16.247 -2.914 1.00 0.00 C ATOM 1754 O LYS A 112 -13.875 16.800 -3.661 1.00 0.00 O ATOM 1755 CB LYS A 112 -11.339 15.208 -4.394 1.00 0.00 C ATOM 1756 CG LYS A 112 -11.483 15.812 -5.781 1.00 0.00 C ATOM 1757 CD LYS A 112 -11.030 14.843 -6.860 1.00 0.00 C ATOM 1758 CE LYS A 112 -11.625 15.199 -8.214 1.00 0.00 C ATOM 1759 NZ LYS A 112 -13.099 14.985 -8.246 1.00 0.00 N ATOM 0 H LYS A 112 -10.104 15.112 -2.258 1.00 0.00 H new ATOM 0 HA LYS A 112 -11.278 17.203 -3.591 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -10.337 14.791 -4.290 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -12.041 14.380 -4.293 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -12.523 16.089 -5.952 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -10.895 16.728 -5.843 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -9.942 14.852 -6.926 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -11.324 13.829 -6.587 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -11.404 16.241 -8.445 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -11.153 14.594 -8.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -13.412 14.871 -9.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -13.337 14.129 -7.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -13.578 15.805 -7.823 1.00 0.00 H new TER 1773 LYS A 112