USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 545 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 133 CYS SG : rot -116:sc= 0.28 USER MOD Set 1.2: A 138 MET CE :methyl -177:sc= -0.658 (180deg=-0.688) USER MOD Set 2.1: A 127 TYR OH : rot 180:sc=-0.00237 USER MOD Set 2.2: A 131 GLN : amide:sc= -1.68 K(o=-1.7,f=-4.3!) USER MOD Set 3.1: A 111 CYS SG : rot -123:sc= -1.08 USER MOD Set 3.2: A 115 CYS SG : rot 119:sc= 0.457 USER MOD Set 3.3: A 125 CYS SG : rot -156:sc= 1.07 USER MOD Set 3.4: A 128 CYS SG : rot 135:sc= -3.68! USER MOD Set 4.1: A 85 HIS : no HD1:sc= -4.72! C(o=-4.8!,f=-4.9!) USER MOD Set 4.2: A 95 LYS NZ :NH3+ -145:sc= -0.0315 (180deg=0) USER MOD Set 5.1: A 74 CYS SG : rot 150:sc= 0.476 USER MOD Set 5.2: A 77 CYS SG : rot -52:sc= 0.708 USER MOD Set 5.3: A 91 CYS SG : rot -131:sc= 1.09 USER MOD Set 5.4: A 94 CYS SG : rot 143:sc= -0.878 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot -179:sc= -0.154 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 THR OG1 : rot 75:sc= 0.723 USER MOD Single : A 104 MET CE :methyl -150:sc= 0 (180deg=-0.0019) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot -52:sc= 0.752 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -0.506 K(o=-0.51,f=-3.1!) USER MOD Single : A 119 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.287) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= -0.0255 X(o=-0.026,f=0) USER MOD Single : A 123 ASN : amide:sc= -0.0167 K(o=-0.017,f=-0.84) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc= -0.0124 X(o=-0.012,f=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 140 HIS : no HD1:sc= 0.251 K(o=0.25,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 83 N GLU A 73 6.280 10.716 -7.615 1.00 0.00 N ATOM 84 CA GLU A 73 6.544 9.365 -8.095 1.00 0.00 C ATOM 85 C GLU A 73 5.803 8.333 -7.249 1.00 0.00 C ATOM 86 O GLU A 73 5.822 8.392 -6.019 1.00 0.00 O ATOM 87 CB GLU A 73 8.046 9.076 -8.072 1.00 0.00 C ATOM 88 CG GLU A 73 8.591 8.796 -6.682 1.00 0.00 C ATOM 89 CD GLU A 73 10.085 9.032 -6.582 1.00 0.00 C ATOM 90 OE1 GLU A 73 10.534 10.144 -6.933 1.00 0.00 O ATOM 91 OE2 GLU A 73 10.806 8.107 -6.153 1.00 0.00 O ATOM 0 HA GLU A 73 6.184 9.295 -9.121 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.252 8.219 -8.713 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.578 9.927 -8.497 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.078 9.431 -5.960 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.371 7.763 -6.411 1.00 0.00 H new ATOM 98 N CYS A 74 5.150 7.388 -7.917 1.00 0.00 N ATOM 99 CA CYS A 74 4.402 6.343 -7.229 1.00 0.00 C ATOM 100 C CYS A 74 5.188 5.806 -6.037 1.00 0.00 C ATOM 101 O CYS A 74 6.391 5.564 -6.132 1.00 0.00 O ATOM 102 CB CYS A 74 4.075 5.201 -8.194 1.00 0.00 C ATOM 103 SG CYS A 74 2.914 3.969 -7.522 1.00 0.00 S ATOM 0 H CYS A 74 5.124 7.325 -8.935 1.00 0.00 H new ATOM 0 HA CYS A 74 3.472 6.778 -6.863 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.654 5.621 -9.107 1.00 0.00 H new ATOM 0 HB3 CYS A 74 5.001 4.698 -8.472 1.00 0.00 H new ATOM 0 HG CYS A 74 2.225 3.447 -8.493 1.00 0.00 H new ATOM 108 N ARG A 75 4.499 5.623 -4.915 1.00 0.00 N ATOM 109 CA ARG A 75 5.132 5.116 -3.704 1.00 0.00 C ATOM 110 C ARG A 75 5.024 3.596 -3.629 1.00 0.00 C ATOM 111 O ARG A 75 5.373 2.987 -2.617 1.00 0.00 O ATOM 112 CB ARG A 75 4.490 5.745 -2.466 1.00 0.00 C ATOM 113 CG ARG A 75 4.512 7.265 -2.474 1.00 0.00 C ATOM 114 CD ARG A 75 5.809 7.807 -1.894 1.00 0.00 C ATOM 115 NE ARG A 75 5.699 9.218 -1.532 1.00 0.00 N ATOM 116 CZ ARG A 75 6.488 9.812 -0.643 1.00 0.00 C ATOM 117 NH1 ARG A 75 7.440 9.121 -0.031 1.00 0.00 N ATOM 118 NH2 ARG A 75 6.326 11.099 -0.367 1.00 0.00 N ATOM 0 H ARG A 75 3.502 5.818 -4.820 1.00 0.00 H new ATOM 0 HA ARG A 75 6.187 5.387 -3.735 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.457 5.405 -2.391 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.009 5.387 -1.577 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.390 7.626 -3.495 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.668 7.645 -1.898 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.082 7.227 -1.013 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.612 7.681 -2.620 1.00 0.00 H new ATOM 0 HE ARG A 75 4.977 9.778 -1.986 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.568 8.131 -0.242 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.044 9.579 0.651 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.595 11.633 -0.837 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.932 11.554 0.316 1.00 0.00 H new ATOM 132 N VAL A 76 4.538 2.989 -4.707 1.00 0.00 N ATOM 133 CA VAL A 76 4.384 1.540 -4.764 1.00 0.00 C ATOM 134 C VAL A 76 5.407 0.916 -5.706 1.00 0.00 C ATOM 135 O VAL A 76 6.229 0.097 -5.294 1.00 0.00 O ATOM 136 CB VAL A 76 2.969 1.143 -5.224 1.00 0.00 C ATOM 137 CG1 VAL A 76 2.812 -0.370 -5.227 1.00 0.00 C ATOM 138 CG2 VAL A 76 1.919 1.795 -4.337 1.00 0.00 C ATOM 0 H VAL A 76 4.244 3.478 -5.553 1.00 0.00 H new ATOM 0 HA VAL A 76 4.548 1.164 -3.754 1.00 0.00 H new ATOM 0 HB VAL A 76 2.824 1.500 -6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.806 -0.631 -5.555 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.541 -0.810 -5.908 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.977 -0.755 -4.221 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.925 1.504 -4.676 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.061 1.470 -3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.018 2.879 -4.392 1.00 0.00 H new ATOM 148 N CYS A 77 5.351 1.307 -6.975 1.00 0.00 N ATOM 149 CA CYS A 77 6.272 0.787 -7.978 1.00 0.00 C ATOM 150 C CYS A 77 7.464 1.723 -8.160 1.00 0.00 C ATOM 151 O CYS A 77 8.605 1.277 -8.270 1.00 0.00 O ATOM 152 CB CYS A 77 5.550 0.597 -9.314 1.00 0.00 C ATOM 153 SG CYS A 77 4.877 2.135 -10.020 1.00 0.00 S ATOM 0 H CYS A 77 4.676 1.983 -7.333 1.00 0.00 H new ATOM 0 HA CYS A 77 6.640 -0.178 -7.631 1.00 0.00 H new ATOM 0 HB2 CYS A 77 6.243 0.154 -10.029 1.00 0.00 H new ATOM 0 HB3 CYS A 77 4.735 -0.114 -9.177 1.00 0.00 H new ATOM 0 HG CYS A 77 4.151 2.741 -9.128 1.00 0.00 H new ATOM 158 N GLY A 78 7.189 3.023 -8.189 1.00 0.00 N ATOM 159 CA GLY A 78 8.248 4.002 -8.357 1.00 0.00 C ATOM 160 C GLY A 78 7.991 4.940 -9.520 1.00 0.00 C ATOM 161 O GLY A 78 8.268 6.136 -9.433 1.00 0.00 O ATOM 0 H GLY A 78 6.252 3.416 -8.099 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.350 4.584 -7.441 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.195 3.485 -8.513 1.00 0.00 H new ATOM 165 N ASP A 79 7.462 4.397 -10.611 1.00 0.00 N ATOM 166 CA ASP A 79 7.168 5.194 -11.796 1.00 0.00 C ATOM 167 C ASP A 79 6.437 6.479 -11.420 1.00 0.00 C ATOM 168 O ASP A 79 5.821 6.567 -10.357 1.00 0.00 O ATOM 169 CB ASP A 79 6.327 4.385 -12.785 1.00 0.00 C ATOM 170 CG ASP A 79 5.709 5.252 -13.864 1.00 0.00 C ATOM 171 OD1 ASP A 79 6.390 5.512 -14.878 1.00 0.00 O ATOM 172 OD2 ASP A 79 4.545 5.672 -13.694 1.00 0.00 O ATOM 0 H ASP A 79 7.228 3.408 -10.699 1.00 0.00 H new ATOM 0 HA ASP A 79 8.114 5.460 -12.268 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.952 3.622 -13.250 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.537 3.864 -12.244 1.00 0.00 H new ATOM 177 N LYS A 80 6.511 7.474 -12.297 1.00 0.00 N ATOM 178 CA LYS A 80 5.858 8.755 -12.058 1.00 0.00 C ATOM 179 C LYS A 80 4.476 8.555 -11.443 1.00 0.00 C ATOM 180 O LYS A 80 3.728 7.667 -11.850 1.00 0.00 O ATOM 181 CB LYS A 80 5.736 9.541 -13.366 1.00 0.00 C ATOM 182 CG LYS A 80 5.607 11.041 -13.164 1.00 0.00 C ATOM 183 CD LYS A 80 4.963 11.711 -14.366 1.00 0.00 C ATOM 184 CE LYS A 80 3.452 11.536 -14.359 1.00 0.00 C ATOM 185 NZ LYS A 80 2.784 12.445 -15.331 1.00 0.00 N ATOM 0 H LYS A 80 7.017 7.418 -13.181 1.00 0.00 H new ATOM 0 HA LYS A 80 6.471 9.321 -11.356 1.00 0.00 H new ATOM 0 HB2 LYS A 80 6.611 9.340 -13.984 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.867 9.181 -13.917 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.011 11.239 -12.273 1.00 0.00 H new ATOM 0 HG3 LYS A 80 6.593 11.472 -12.991 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.207 12.773 -14.366 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.375 11.289 -15.283 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.205 10.502 -14.600 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.069 11.730 -13.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.755 12.295 -15.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.999 13.433 -15.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.131 12.243 -16.290 1.00 0.00 H new ATOM 199 N ALA A 81 4.144 9.387 -10.462 1.00 0.00 N ATOM 200 CA ALA A 81 2.851 9.303 -9.794 1.00 0.00 C ATOM 201 C ALA A 81 1.767 10.005 -10.605 1.00 0.00 C ATOM 202 O ALA A 81 1.728 11.233 -10.675 1.00 0.00 O ATOM 203 CB ALA A 81 2.939 9.901 -8.397 1.00 0.00 C ATOM 0 H ALA A 81 4.752 10.127 -10.112 1.00 0.00 H new ATOM 0 HA ALA A 81 2.581 8.250 -9.710 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.966 9.832 -7.910 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.678 9.353 -7.812 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.236 10.947 -8.467 1.00 0.00 H new ATOM 209 N SER A 82 0.889 9.217 -11.217 1.00 0.00 N ATOM 210 CA SER A 82 -0.193 9.764 -12.028 1.00 0.00 C ATOM 211 C SER A 82 -0.989 10.801 -11.243 1.00 0.00 C ATOM 212 O SER A 82 -1.106 11.954 -11.656 1.00 0.00 O ATOM 213 CB SER A 82 -1.121 8.643 -12.500 1.00 0.00 C ATOM 214 OG SER A 82 -2.031 9.113 -13.479 1.00 0.00 O ATOM 0 H SER A 82 0.905 8.198 -11.167 1.00 0.00 H new ATOM 0 HA SER A 82 0.248 10.252 -12.897 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.529 7.826 -12.912 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.672 8.241 -11.650 1.00 0.00 H new ATOM 0 HG SER A 82 -2.612 8.378 -13.766 1.00 0.00 H new ATOM 220 N GLY A 83 -1.536 10.382 -10.105 1.00 0.00 N ATOM 221 CA GLY A 83 -2.314 11.286 -9.279 1.00 0.00 C ATOM 222 C GLY A 83 -2.225 10.947 -7.804 1.00 0.00 C ATOM 223 O GLY A 83 -1.240 10.360 -7.354 1.00 0.00 O ATOM 0 H GLY A 83 -1.454 9.433 -9.741 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.965 12.307 -9.435 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.357 11.254 -9.594 1.00 0.00 H new ATOM 227 N PHE A 84 -3.254 11.317 -7.050 1.00 0.00 N ATOM 228 CA PHE A 84 -3.286 11.051 -5.616 1.00 0.00 C ATOM 229 C PHE A 84 -4.524 10.241 -5.241 1.00 0.00 C ATOM 230 O PHE A 84 -5.566 10.802 -4.902 1.00 0.00 O ATOM 231 CB PHE A 84 -3.265 12.364 -4.832 1.00 0.00 C ATOM 232 CG PHE A 84 -3.033 12.179 -3.359 1.00 0.00 C ATOM 233 CD1 PHE A 84 -1.906 11.517 -2.900 1.00 0.00 C ATOM 234 CD2 PHE A 84 -3.942 12.667 -2.435 1.00 0.00 C ATOM 235 CE1 PHE A 84 -1.691 11.345 -1.545 1.00 0.00 C ATOM 236 CE2 PHE A 84 -3.733 12.498 -1.079 1.00 0.00 C ATOM 237 CZ PHE A 84 -2.605 11.837 -0.634 1.00 0.00 C ATOM 0 H PHE A 84 -4.077 11.802 -7.407 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.401 10.469 -5.360 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.484 13.007 -5.237 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.213 12.882 -4.980 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.188 11.131 -3.608 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.825 13.186 -2.778 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.809 10.826 -1.199 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.450 12.882 -0.369 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.438 11.705 0.425 1.00 0.00 H new ATOM 247 N HIS A 85 -4.400 8.919 -5.305 1.00 0.00 N ATOM 248 CA HIS A 85 -5.509 8.031 -4.973 1.00 0.00 C ATOM 249 C HIS A 85 -5.300 7.392 -3.603 1.00 0.00 C ATOM 250 O HIS A 85 -4.167 7.207 -3.159 1.00 0.00 O ATOM 251 CB HIS A 85 -5.657 6.945 -6.038 1.00 0.00 C ATOM 252 CG HIS A 85 -5.644 7.474 -7.439 1.00 0.00 C ATOM 253 ND1 HIS A 85 -6.731 8.092 -8.021 1.00 0.00 N ATOM 254 CD2 HIS A 85 -4.666 7.478 -8.375 1.00 0.00 C ATOM 255 CE1 HIS A 85 -6.424 8.450 -9.254 1.00 0.00 C ATOM 256 NE2 HIS A 85 -5.176 8.089 -9.494 1.00 0.00 N ATOM 0 H HIS A 85 -3.544 8.439 -5.583 1.00 0.00 H new ATOM 0 HA HIS A 85 -6.422 8.625 -4.943 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -4.849 6.223 -5.924 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -6.590 6.408 -5.870 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -3.670 7.076 -8.263 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.081 8.952 -9.948 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -4.673 8.240 -10.368 1.00 0.00 H new ATOM 264 N TYR A 86 -6.400 7.058 -2.938 1.00 0.00 N ATOM 265 CA TYR A 86 -6.338 6.442 -1.618 1.00 0.00 C ATOM 266 C TYR A 86 -5.432 7.242 -0.686 1.00 0.00 C ATOM 267 O TYR A 86 -4.787 6.684 0.201 1.00 0.00 O ATOM 268 CB TYR A 86 -5.834 5.002 -1.726 1.00 0.00 C ATOM 269 CG TYR A 86 -6.518 4.201 -2.811 1.00 0.00 C ATOM 270 CD1 TYR A 86 -6.205 4.397 -4.150 1.00 0.00 C ATOM 271 CD2 TYR A 86 -7.478 3.247 -2.495 1.00 0.00 C ATOM 272 CE1 TYR A 86 -6.828 3.668 -5.144 1.00 0.00 C ATOM 273 CE2 TYR A 86 -8.105 2.512 -3.482 1.00 0.00 C ATOM 274 CZ TYR A 86 -7.778 2.727 -4.805 1.00 0.00 C ATOM 275 OH TYR A 86 -8.400 1.997 -5.792 1.00 0.00 O ATOM 0 H TYR A 86 -7.346 7.203 -3.291 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.345 6.436 -1.200 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.761 5.015 -1.917 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.981 4.502 -0.769 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -5.461 5.133 -4.419 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -7.738 3.078 -1.461 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -6.573 3.834 -6.180 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -8.847 1.773 -3.220 1.00 0.00 H new ATOM 0 HH TYR A 86 -9.053 1.388 -5.387 1.00 0.00 H new ATOM 285 N GLY A 87 -5.389 8.554 -0.895 1.00 0.00 N ATOM 286 CA GLY A 87 -4.560 9.411 -0.067 1.00 0.00 C ATOM 287 C GLY A 87 -3.099 9.007 -0.096 1.00 0.00 C ATOM 288 O GLY A 87 -2.359 9.258 0.855 1.00 0.00 O ATOM 0 H GLY A 87 -5.913 9.039 -1.623 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.656 10.442 -0.407 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.922 9.379 0.961 1.00 0.00 H new ATOM 292 N VAL A 88 -2.682 8.378 -1.191 1.00 0.00 N ATOM 293 CA VAL A 88 -1.300 7.938 -1.340 1.00 0.00 C ATOM 294 C VAL A 88 -0.810 8.140 -2.769 1.00 0.00 C ATOM 295 O VAL A 88 -1.430 7.668 -3.722 1.00 0.00 O ATOM 296 CB VAL A 88 -1.139 6.454 -0.958 1.00 0.00 C ATOM 297 CG1 VAL A 88 -1.992 5.576 -1.861 1.00 0.00 C ATOM 298 CG2 VAL A 88 0.324 6.043 -1.026 1.00 0.00 C ATOM 0 H VAL A 88 -3.282 8.162 -1.987 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.699 8.547 -0.664 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.482 6.320 0.068 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.866 4.531 -1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.040 5.857 -1.757 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.682 5.710 -2.897 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.420 4.992 -0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.697 6.190 -2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.906 6.652 -0.334 1.00 0.00 H new ATOM 308 N HIS A 89 0.308 8.845 -2.911 1.00 0.00 N ATOM 309 CA HIS A 89 0.883 9.110 -4.225 1.00 0.00 C ATOM 310 C HIS A 89 1.126 7.808 -4.984 1.00 0.00 C ATOM 311 O HIS A 89 2.180 7.188 -4.849 1.00 0.00 O ATOM 312 CB HIS A 89 2.193 9.885 -4.086 1.00 0.00 C ATOM 313 CG HIS A 89 2.013 11.371 -4.084 1.00 0.00 C ATOM 314 ND1 HIS A 89 1.957 12.121 -2.928 1.00 0.00 N ATOM 315 CD2 HIS A 89 1.877 12.248 -5.106 1.00 0.00 C ATOM 316 CE1 HIS A 89 1.793 13.395 -3.239 1.00 0.00 C ATOM 317 NE2 HIS A 89 1.741 13.499 -4.555 1.00 0.00 N ATOM 0 H HIS A 89 0.834 9.243 -2.133 1.00 0.00 H new ATOM 0 HA HIS A 89 0.172 9.713 -4.790 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.686 9.586 -3.161 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.857 9.609 -4.905 1.00 0.00 H new ATOM 0 HD2 HIS A 89 1.876 12.009 -6.159 1.00 0.00 H new ATOM 0 HE1 HIS A 89 1.715 14.212 -2.537 1.00 0.00 H new ATOM 0 HE2 HIS A 89 1.620 14.367 -5.077 1.00 0.00 H new ATOM 325 N ALA A 90 0.143 7.401 -5.780 1.00 0.00 N ATOM 326 CA ALA A 90 0.251 6.174 -6.561 1.00 0.00 C ATOM 327 C ALA A 90 0.020 6.445 -8.043 1.00 0.00 C ATOM 328 O ALA A 90 -0.447 7.519 -8.424 1.00 0.00 O ATOM 329 CB ALA A 90 -0.737 5.136 -6.051 1.00 0.00 C ATOM 0 H ALA A 90 -0.737 7.902 -5.901 1.00 0.00 H new ATOM 0 HA ALA A 90 1.262 5.785 -6.444 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.646 4.225 -6.643 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.523 4.913 -5.006 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.751 5.525 -6.138 1.00 0.00 H new ATOM 335 N CYS A 91 0.350 5.464 -8.877 1.00 0.00 N ATOM 336 CA CYS A 91 0.179 5.596 -10.319 1.00 0.00 C ATOM 337 C CYS A 91 -1.088 4.884 -10.784 1.00 0.00 C ATOM 338 O CYS A 91 -1.777 4.242 -9.992 1.00 0.00 O ATOM 339 CB CYS A 91 1.395 5.027 -11.052 1.00 0.00 C ATOM 340 SG CYS A 91 1.497 3.208 -11.022 1.00 0.00 S ATOM 0 H CYS A 91 0.737 4.569 -8.579 1.00 0.00 H new ATOM 0 HA CYS A 91 0.085 6.656 -10.553 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.370 5.362 -12.089 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.300 5.438 -10.606 1.00 0.00 H new ATOM 0 HG CYS A 91 2.695 2.846 -10.668 1.00 0.00 H new ATOM 345 N GLU A 92 -1.388 5.004 -12.074 1.00 0.00 N ATOM 346 CA GLU A 92 -2.572 4.372 -12.644 1.00 0.00 C ATOM 347 C GLU A 92 -2.471 2.852 -12.561 1.00 0.00 C ATOM 348 O GLU A 92 -3.427 2.175 -12.185 1.00 0.00 O ATOM 349 CB GLU A 92 -2.757 4.804 -14.100 1.00 0.00 C ATOM 350 CG GLU A 92 -1.598 4.412 -15.002 1.00 0.00 C ATOM 351 CD GLU A 92 -1.697 5.034 -16.382 1.00 0.00 C ATOM 352 OE1 GLU A 92 -1.209 6.171 -16.555 1.00 0.00 O ATOM 353 OE2 GLU A 92 -2.261 4.386 -17.287 1.00 0.00 O ATOM 0 H GLU A 92 -0.828 5.532 -12.743 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.438 4.693 -12.065 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.674 4.361 -14.488 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.885 5.886 -14.136 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.661 4.717 -14.536 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.568 3.327 -15.098 1.00 0.00 H new ATOM 360 N GLY A 93 -1.304 2.322 -12.916 1.00 0.00 N ATOM 361 CA GLY A 93 -1.099 0.886 -12.876 1.00 0.00 C ATOM 362 C GLY A 93 -1.444 0.288 -11.527 1.00 0.00 C ATOM 363 O GLY A 93 -2.458 -0.395 -11.382 1.00 0.00 O ATOM 0 H GLY A 93 -0.497 2.862 -13.230 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.709 0.414 -13.646 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.058 0.664 -13.113 1.00 0.00 H new ATOM 367 N CYS A 94 -0.597 0.544 -10.535 1.00 0.00 N ATOM 368 CA CYS A 94 -0.815 0.025 -9.190 1.00 0.00 C ATOM 369 C CYS A 94 -2.273 0.193 -8.772 1.00 0.00 C ATOM 370 O CYS A 94 -2.921 -0.761 -8.339 1.00 0.00 O ATOM 371 CB CYS A 94 0.098 0.739 -8.191 1.00 0.00 C ATOM 372 SG CYS A 94 1.875 0.460 -8.478 1.00 0.00 S ATOM 0 H CYS A 94 0.247 1.108 -10.638 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.576 -1.039 -9.195 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -0.102 1.810 -8.233 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -0.153 0.407 -7.184 1.00 0.00 H new ATOM 0 HG CYS A 94 2.533 1.552 -8.221 1.00 0.00 H new ATOM 377 N LYS A 95 -2.785 1.412 -8.904 1.00 0.00 N ATOM 378 CA LYS A 95 -4.166 1.706 -8.543 1.00 0.00 C ATOM 379 C LYS A 95 -5.083 0.542 -8.904 1.00 0.00 C ATOM 380 O LYS A 95 -5.818 0.033 -8.060 1.00 0.00 O ATOM 381 CB LYS A 95 -4.639 2.980 -9.248 1.00 0.00 C ATOM 382 CG LYS A 95 -6.112 3.283 -9.032 1.00 0.00 C ATOM 383 CD LYS A 95 -6.711 4.011 -10.224 1.00 0.00 C ATOM 384 CE LYS A 95 -6.563 5.519 -10.088 1.00 0.00 C ATOM 385 NZ LYS A 95 -6.657 6.206 -11.405 1.00 0.00 N ATOM 0 H LYS A 95 -2.263 2.213 -9.259 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.209 1.858 -7.464 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.047 3.823 -8.892 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -4.449 2.886 -10.317 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.655 2.353 -8.862 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -6.232 3.891 -8.135 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -6.222 3.677 -11.139 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -7.766 3.755 -10.315 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -7.337 5.901 -9.423 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.603 5.750 -9.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.018 7.026 -11.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.385 5.546 -12.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -7.634 6.526 -11.560 1.00 0.00 H new ATOM 399 N GLY A 96 -5.033 0.125 -10.166 1.00 0.00 N ATOM 400 CA GLY A 96 -5.863 -0.977 -10.616 1.00 0.00 C ATOM 401 C GLY A 96 -5.657 -2.232 -9.791 1.00 0.00 C ATOM 402 O GLY A 96 -6.613 -2.944 -9.481 1.00 0.00 O ATOM 0 H GLY A 96 -4.433 0.531 -10.884 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -6.911 -0.682 -10.567 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.641 -1.192 -11.661 1.00 0.00 H new ATOM 406 N PHE A 97 -4.407 -2.507 -9.437 1.00 0.00 N ATOM 407 CA PHE A 97 -4.078 -3.687 -8.645 1.00 0.00 C ATOM 408 C PHE A 97 -4.822 -3.673 -7.313 1.00 0.00 C ATOM 409 O PHE A 97 -5.544 -4.614 -6.983 1.00 0.00 O ATOM 410 CB PHE A 97 -2.569 -3.758 -8.399 1.00 0.00 C ATOM 411 CG PHE A 97 -2.166 -4.862 -7.463 1.00 0.00 C ATOM 412 CD1 PHE A 97 -2.114 -4.645 -6.096 1.00 0.00 C ATOM 413 CD2 PHE A 97 -1.839 -6.116 -7.952 1.00 0.00 C ATOM 414 CE1 PHE A 97 -1.743 -5.658 -5.233 1.00 0.00 C ATOM 415 CE2 PHE A 97 -1.468 -7.134 -7.093 1.00 0.00 C ATOM 416 CZ PHE A 97 -1.419 -6.904 -5.732 1.00 0.00 C ATOM 0 H PHE A 97 -3.604 -1.929 -9.686 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.390 -4.568 -9.206 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -2.060 -3.897 -9.353 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.230 -2.805 -7.992 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.366 -3.672 -5.700 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.874 -6.301 -9.016 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -1.706 -5.476 -4.169 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.217 -8.108 -7.486 1.00 0.00 H new ATOM 0 HZ PHE A 97 -1.128 -7.697 -5.059 1.00 0.00 H new ATOM 426 N PHE A 98 -4.640 -2.599 -6.552 1.00 0.00 N ATOM 427 CA PHE A 98 -5.293 -2.462 -5.255 1.00 0.00 C ATOM 428 C PHE A 98 -6.800 -2.664 -5.380 1.00 0.00 C ATOM 429 O PHE A 98 -7.366 -3.580 -4.784 1.00 0.00 O ATOM 430 CB PHE A 98 -4.999 -1.085 -4.656 1.00 0.00 C ATOM 431 CG PHE A 98 -5.430 -0.951 -3.223 1.00 0.00 C ATOM 432 CD1 PHE A 98 -4.727 -1.585 -2.212 1.00 0.00 C ATOM 433 CD2 PHE A 98 -6.539 -0.190 -2.888 1.00 0.00 C ATOM 434 CE1 PHE A 98 -5.120 -1.463 -0.892 1.00 0.00 C ATOM 435 CE2 PHE A 98 -6.937 -0.064 -1.571 1.00 0.00 C ATOM 436 CZ PHE A 98 -6.228 -0.702 -0.572 1.00 0.00 C ATOM 0 H PHE A 98 -4.046 -1.811 -6.811 1.00 0.00 H new ATOM 0 HA PHE A 98 -4.896 -3.231 -4.593 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.929 -0.888 -4.725 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -5.503 -0.323 -5.251 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.861 -2.182 -2.458 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -7.098 0.310 -3.665 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.562 -1.961 -0.113 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -7.802 0.533 -1.323 1.00 0.00 H new ATOM 0 HZ PHE A 98 -6.539 -0.606 0.458 1.00 0.00 H new ATOM 446 N ARG A 99 -7.443 -1.801 -6.160 1.00 0.00 N ATOM 447 CA ARG A 99 -8.885 -1.882 -6.362 1.00 0.00 C ATOM 448 C ARG A 99 -9.303 -3.304 -6.726 1.00 0.00 C ATOM 449 O ARG A 99 -10.111 -3.921 -6.030 1.00 0.00 O ATOM 450 CB ARG A 99 -9.322 -0.914 -7.463 1.00 0.00 C ATOM 451 CG ARG A 99 -10.763 -1.106 -7.906 1.00 0.00 C ATOM 452 CD ARG A 99 -11.741 -0.691 -6.817 1.00 0.00 C ATOM 453 NE ARG A 99 -13.048 -1.321 -6.986 1.00 0.00 N ATOM 454 CZ ARG A 99 -14.044 -1.189 -6.117 1.00 0.00 C ATOM 455 NH1 ARG A 99 -13.884 -0.454 -5.026 1.00 0.00 N ATOM 456 NH2 ARG A 99 -15.204 -1.793 -6.341 1.00 0.00 N ATOM 0 H ARG A 99 -6.989 -1.038 -6.662 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.374 -1.605 -5.428 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -9.193 0.109 -7.108 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.666 -1.037 -8.325 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.949 -0.520 -8.806 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.929 -2.151 -8.166 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.333 -0.958 -5.842 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.857 0.393 -6.828 1.00 0.00 H new ATOM 0 HE ARG A 99 -13.204 -1.893 -7.816 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.994 0.013 -4.851 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -14.651 -0.355 -4.361 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -15.331 -2.359 -7.180 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -15.969 -1.692 -5.674 1.00 0.00 H new ATOM 470 N ARG A 100 -8.749 -3.817 -7.819 1.00 0.00 N ATOM 471 CA ARG A 100 -9.066 -5.165 -8.275 1.00 0.00 C ATOM 472 C ARG A 100 -9.104 -6.141 -7.103 1.00 0.00 C ATOM 473 O ARG A 100 -10.078 -6.873 -6.921 1.00 0.00 O ATOM 474 CB ARG A 100 -8.038 -5.632 -9.308 1.00 0.00 C ATOM 475 CG ARG A 100 -8.131 -7.114 -9.633 1.00 0.00 C ATOM 476 CD ARG A 100 -7.609 -7.411 -11.030 1.00 0.00 C ATOM 477 NE ARG A 100 -6.168 -7.648 -11.036 1.00 0.00 N ATOM 478 CZ ARG A 100 -5.526 -8.250 -12.032 1.00 0.00 C ATOM 479 NH1 ARG A 100 -6.195 -8.675 -13.095 1.00 0.00 N ATOM 480 NH2 ARG A 100 -4.213 -8.429 -11.965 1.00 0.00 N ATOM 0 H ARG A 100 -8.079 -3.320 -8.405 1.00 0.00 H new ATOM 0 HA ARG A 100 -10.052 -5.142 -8.738 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -8.171 -5.058 -10.225 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.037 -5.412 -8.937 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -7.560 -7.685 -8.901 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.168 -7.441 -9.554 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.122 -8.285 -11.431 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -7.842 -6.575 -11.689 1.00 0.00 H new ATOM 0 HE ARG A 100 -5.624 -7.334 -10.232 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.205 -8.540 -13.150 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -5.700 -9.137 -13.858 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -3.695 -8.104 -11.148 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -3.722 -8.891 -12.730 1.00 0.00 H new ATOM 494 N THR A 101 -8.038 -6.147 -6.309 1.00 0.00 N ATOM 495 CA THR A 101 -7.948 -7.034 -5.156 1.00 0.00 C ATOM 496 C THR A 101 -9.104 -6.798 -4.191 1.00 0.00 C ATOM 497 O THR A 101 -9.595 -7.733 -3.556 1.00 0.00 O ATOM 498 CB THR A 101 -6.618 -6.843 -4.403 1.00 0.00 C ATOM 499 OG1 THR A 101 -5.518 -6.986 -5.308 1.00 0.00 O ATOM 500 CG2 THR A 101 -6.487 -7.853 -3.273 1.00 0.00 C ATOM 0 H THR A 101 -7.224 -5.547 -6.444 1.00 0.00 H new ATOM 0 HA THR A 101 -7.998 -8.054 -5.536 1.00 0.00 H new ATOM 0 HB THR A 101 -6.608 -5.840 -3.976 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.451 -6.186 -5.871 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.540 -7.699 -2.755 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.310 -7.722 -2.571 1.00 0.00 H new ATOM 0 HG23 THR A 101 -6.517 -8.863 -3.682 1.00 0.00 H new ATOM 508 N ILE A 102 -9.535 -5.546 -4.085 1.00 0.00 N ATOM 509 CA ILE A 102 -10.635 -5.189 -3.198 1.00 0.00 C ATOM 510 C ILE A 102 -11.974 -5.634 -3.776 1.00 0.00 C ATOM 511 O ILE A 102 -12.655 -6.488 -3.207 1.00 0.00 O ATOM 512 CB ILE A 102 -10.679 -3.672 -2.938 1.00 0.00 C ATOM 513 CG1 ILE A 102 -9.380 -3.207 -2.277 1.00 0.00 C ATOM 514 CG2 ILE A 102 -11.878 -3.318 -2.070 1.00 0.00 C ATOM 515 CD1 ILE A 102 -9.090 -3.897 -0.962 1.00 0.00 C ATOM 0 H ILE A 102 -9.139 -4.761 -4.603 1.00 0.00 H new ATOM 0 HA ILE A 102 -10.460 -5.706 -2.254 1.00 0.00 H new ATOM 0 HB ILE A 102 -10.782 -3.158 -3.893 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -8.550 -3.384 -2.961 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -9.432 -2.131 -2.110 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -11.895 -2.242 -1.895 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -12.795 -3.618 -2.577 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -11.803 -3.840 -1.116 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -8.154 -3.518 -0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -9.901 -3.700 -0.261 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -9.006 -4.971 -1.126 1.00 0.00 H new ATOM 527 N ARG A 103 -12.345 -5.051 -4.911 1.00 0.00 N ATOM 528 CA ARG A 103 -13.603 -5.388 -5.568 1.00 0.00 C ATOM 529 C ARG A 103 -13.731 -6.897 -5.754 1.00 0.00 C ATOM 530 O ARG A 103 -14.836 -7.439 -5.763 1.00 0.00 O ATOM 531 CB ARG A 103 -13.699 -4.685 -6.923 1.00 0.00 C ATOM 532 CG ARG A 103 -12.707 -5.205 -7.950 1.00 0.00 C ATOM 533 CD ARG A 103 -13.158 -4.892 -9.369 1.00 0.00 C ATOM 534 NE ARG A 103 -12.198 -5.362 -10.364 1.00 0.00 N ATOM 535 CZ ARG A 103 -12.109 -4.862 -11.592 1.00 0.00 C ATOM 536 NH1 ARG A 103 -12.917 -3.882 -11.973 1.00 0.00 N ATOM 537 NH2 ARG A 103 -11.209 -5.342 -12.441 1.00 0.00 N ATOM 0 H ARG A 103 -11.793 -4.343 -5.395 1.00 0.00 H new ATOM 0 HA ARG A 103 -14.420 -5.047 -4.932 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -14.710 -4.804 -7.314 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -13.536 -3.617 -6.781 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -11.729 -4.759 -7.771 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -12.592 -6.283 -7.833 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -14.127 -5.356 -9.552 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -13.295 -3.816 -9.477 1.00 0.00 H new ATOM 0 HE ARG A 103 -11.561 -6.115 -10.102 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -13.609 -3.510 -11.323 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -12.846 -3.500 -12.916 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -10.585 -6.095 -12.151 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -11.141 -4.958 -13.383 1.00 0.00 H new ATOM 551 N MET A 104 -12.595 -7.568 -5.904 1.00 0.00 N ATOM 552 CA MET A 104 -12.581 -9.015 -6.090 1.00 0.00 C ATOM 553 C MET A 104 -12.415 -9.733 -4.754 1.00 0.00 C ATOM 554 O MET A 104 -12.642 -10.939 -4.654 1.00 0.00 O ATOM 555 CB MET A 104 -11.453 -9.417 -7.042 1.00 0.00 C ATOM 556 CG MET A 104 -11.656 -8.925 -8.466 1.00 0.00 C ATOM 557 SD MET A 104 -10.821 -9.960 -9.684 1.00 0.00 S ATOM 558 CE MET A 104 -11.976 -11.323 -9.818 1.00 0.00 C ATOM 0 H MET A 104 -11.672 -7.134 -5.901 1.00 0.00 H new ATOM 0 HA MET A 104 -13.536 -9.310 -6.525 1.00 0.00 H new ATOM 0 HB2 MET A 104 -10.510 -9.024 -6.661 1.00 0.00 H new ATOM 0 HB3 MET A 104 -11.366 -10.503 -7.051 1.00 0.00 H new ATOM 0 HG2 MET A 104 -12.723 -8.898 -8.688 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.287 -7.903 -8.549 1.00 0.00 H new ATOM 0 HE1 MET A 104 -11.434 -12.236 -10.066 1.00 0.00 H new ATOM 0 HE2 MET A 104 -12.494 -11.456 -8.868 1.00 0.00 H new ATOM 0 HE3 MET A 104 -12.703 -11.108 -10.601 1.00 0.00 H new ATOM 568 N LYS A 105 -12.017 -8.985 -3.731 1.00 0.00 N ATOM 569 CA LYS A 105 -11.821 -9.549 -2.401 1.00 0.00 C ATOM 570 C LYS A 105 -10.850 -10.725 -2.446 1.00 0.00 C ATOM 571 O LYS A 105 -11.095 -11.769 -1.840 1.00 0.00 O ATOM 572 CB LYS A 105 -13.160 -10.003 -1.814 1.00 0.00 C ATOM 573 CG LYS A 105 -13.974 -8.871 -1.211 1.00 0.00 C ATOM 574 CD LYS A 105 -15.198 -9.394 -0.478 1.00 0.00 C ATOM 575 CE LYS A 105 -16.169 -8.272 -0.143 1.00 0.00 C ATOM 576 NZ LYS A 105 -15.836 -7.619 1.154 1.00 0.00 N ATOM 0 H LYS A 105 -11.824 -7.986 -3.798 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.396 -8.773 -1.764 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.746 -10.484 -2.597 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.975 -10.755 -1.047 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.351 -8.301 -0.521 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.286 -8.186 -1.999 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -15.701 -10.140 -1.093 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.888 -9.894 0.439 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -16.153 -7.528 -0.939 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -17.183 -8.670 -0.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.521 -6.860 1.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.876 -8.324 1.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.878 -7.217 1.104 1.00 0.00 H new ATOM 590 N LEU A 106 -9.748 -10.548 -3.165 1.00 0.00 N ATOM 591 CA LEU A 106 -8.738 -11.594 -3.288 1.00 0.00 C ATOM 592 C LEU A 106 -7.845 -11.636 -2.052 1.00 0.00 C ATOM 593 O LEU A 106 -7.473 -10.597 -1.508 1.00 0.00 O ATOM 594 CB LEU A 106 -7.887 -11.364 -4.538 1.00 0.00 C ATOM 595 CG LEU A 106 -8.649 -11.273 -5.861 1.00 0.00 C ATOM 596 CD1 LEU A 106 -7.727 -10.803 -6.976 1.00 0.00 C ATOM 597 CD2 LEU A 106 -9.271 -12.616 -6.212 1.00 0.00 C ATOM 0 H LEU A 106 -9.530 -9.690 -3.672 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.251 -12.552 -3.376 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.321 -10.442 -4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.162 -12.175 -4.614 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.450 -10.543 -5.747 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.286 -10.744 -7.910 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.329 -9.819 -6.729 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.904 -11.509 -7.090 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.809 -12.532 -7.156 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.486 -13.367 -6.307 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -9.964 -12.913 -5.425 1.00 0.00 H new ATOM 609 N GLU A 107 -7.504 -12.845 -1.616 1.00 0.00 N ATOM 610 CA GLU A 107 -6.653 -13.022 -0.445 1.00 0.00 C ATOM 611 C GLU A 107 -5.291 -13.583 -0.842 1.00 0.00 C ATOM 612 O GLU A 107 -5.094 -14.019 -1.976 1.00 0.00 O ATOM 613 CB GLU A 107 -7.326 -13.954 0.566 1.00 0.00 C ATOM 614 CG GLU A 107 -8.223 -13.231 1.557 1.00 0.00 C ATOM 615 CD GLU A 107 -7.483 -12.171 2.348 1.00 0.00 C ATOM 616 OE1 GLU A 107 -6.814 -12.531 3.340 1.00 0.00 O ATOM 617 OE2 GLU A 107 -7.572 -10.982 1.977 1.00 0.00 O ATOM 0 H GLU A 107 -7.804 -13.715 -2.056 1.00 0.00 H new ATOM 0 HA GLU A 107 -6.504 -12.045 0.015 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.917 -14.695 0.027 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -6.557 -14.498 1.115 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -9.051 -12.767 1.021 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.656 -13.956 2.246 1.00 0.00 H new ATOM 624 N TYR A 108 -4.354 -13.568 0.100 1.00 0.00 N ATOM 625 CA TYR A 108 -3.010 -14.072 -0.151 1.00 0.00 C ATOM 626 C TYR A 108 -2.377 -14.599 1.133 1.00 0.00 C ATOM 627 O TYR A 108 -2.861 -14.330 2.232 1.00 0.00 O ATOM 628 CB TYR A 108 -2.133 -12.970 -0.750 1.00 0.00 C ATOM 629 CG TYR A 108 -2.691 -12.378 -2.024 1.00 0.00 C ATOM 630 CD1 TYR A 108 -2.963 -13.180 -3.126 1.00 0.00 C ATOM 631 CD2 TYR A 108 -2.948 -11.016 -2.126 1.00 0.00 C ATOM 632 CE1 TYR A 108 -3.472 -12.643 -4.292 1.00 0.00 C ATOM 633 CE2 TYR A 108 -3.459 -10.471 -3.288 1.00 0.00 C ATOM 634 CZ TYR A 108 -3.719 -11.288 -4.369 1.00 0.00 C ATOM 635 OH TYR A 108 -4.227 -10.750 -5.528 1.00 0.00 O ATOM 0 H TYR A 108 -4.501 -13.212 1.044 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.085 -14.895 -0.862 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -2.009 -12.176 -0.014 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.142 -13.376 -0.951 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.773 -14.242 -3.069 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.745 -10.373 -1.283 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -3.676 -13.281 -5.139 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.654 -9.411 -3.350 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.344 -9.783 -5.416 1.00 0.00 H new ATOM 645 N GLU A 109 -1.290 -15.350 0.985 1.00 0.00 N ATOM 646 CA GLU A 109 -0.590 -15.915 2.132 1.00 0.00 C ATOM 647 C GLU A 109 0.505 -14.972 2.620 1.00 0.00 C ATOM 648 O GLU A 109 1.229 -14.376 1.822 1.00 0.00 O ATOM 649 CB GLU A 109 0.016 -17.273 1.770 1.00 0.00 C ATOM 650 CG GLU A 109 0.658 -17.986 2.948 1.00 0.00 C ATOM 651 CD GLU A 109 1.756 -18.942 2.523 1.00 0.00 C ATOM 652 OE1 GLU A 109 2.331 -18.737 1.433 1.00 0.00 O ATOM 653 OE2 GLU A 109 2.041 -19.894 3.279 1.00 0.00 O ATOM 0 H GLU A 109 -0.875 -15.581 0.082 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.314 -16.050 2.936 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.764 -17.910 1.352 1.00 0.00 H new ATOM 0 HB3 GLU A 109 0.764 -17.131 0.990 1.00 0.00 H new ATOM 0 HG2 GLU A 109 1.071 -17.247 3.634 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -0.107 -18.537 3.495 1.00 0.00 H new ATOM 660 N LYS A 110 0.620 -14.839 3.938 1.00 0.00 N ATOM 661 CA LYS A 110 1.626 -13.969 4.535 1.00 0.00 C ATOM 662 C LYS A 110 3.012 -14.276 3.976 1.00 0.00 C ATOM 663 O LYS A 110 3.584 -15.332 4.251 1.00 0.00 O ATOM 664 CB LYS A 110 1.631 -14.131 6.057 1.00 0.00 C ATOM 665 CG LYS A 110 2.210 -12.935 6.793 1.00 0.00 C ATOM 666 CD LYS A 110 2.768 -13.332 8.149 1.00 0.00 C ATOM 667 CE LYS A 110 1.657 -13.643 9.140 1.00 0.00 C ATOM 668 NZ LYS A 110 2.114 -14.567 10.214 1.00 0.00 N ATOM 0 H LYS A 110 0.028 -15.323 4.613 1.00 0.00 H new ATOM 0 HA LYS A 110 1.373 -12.938 4.286 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.610 -14.299 6.400 1.00 0.00 H new ATOM 0 HB3 LYS A 110 2.205 -15.020 6.318 1.00 0.00 H new ATOM 0 HG2 LYS A 110 2.999 -12.484 6.192 1.00 0.00 H new ATOM 0 HG3 LYS A 110 1.437 -12.178 6.924 1.00 0.00 H new ATOM 0 HD2 LYS A 110 3.412 -14.204 8.037 1.00 0.00 H new ATOM 0 HD3 LYS A 110 3.389 -12.525 8.538 1.00 0.00 H new ATOM 0 HE2 LYS A 110 1.299 -12.716 9.587 1.00 0.00 H new ATOM 0 HE3 LYS A 110 0.814 -14.089 8.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 1.328 -14.754 10.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 2.432 -15.462 9.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 2.902 -14.131 10.735 1.00 0.00 H new ATOM 682 N CYS A 111 3.548 -13.348 3.191 1.00 0.00 N ATOM 683 CA CYS A 111 4.867 -13.518 2.594 1.00 0.00 C ATOM 684 C CYS A 111 5.941 -12.854 3.451 1.00 0.00 C ATOM 685 O CYS A 111 6.191 -11.655 3.331 1.00 0.00 O ATOM 686 CB CYS A 111 4.890 -12.931 1.182 1.00 0.00 C ATOM 687 SG CYS A 111 6.553 -12.830 0.446 1.00 0.00 S ATOM 0 H CYS A 111 3.088 -12.469 2.953 1.00 0.00 H new ATOM 0 HA CYS A 111 5.079 -14.586 2.539 1.00 0.00 H new ATOM 0 HB2 CYS A 111 4.255 -13.539 0.537 1.00 0.00 H new ATOM 0 HB3 CYS A 111 4.455 -11.932 1.208 1.00 0.00 H new ATOM 0 HG CYS A 111 6.803 -11.601 0.105 1.00 0.00 H new ATOM 692 N GLU A 112 6.573 -13.643 4.314 1.00 0.00 N ATOM 693 CA GLU A 112 7.620 -13.131 5.191 1.00 0.00 C ATOM 694 C GLU A 112 8.687 -12.391 4.390 1.00 0.00 C ATOM 695 O GLU A 112 9.075 -11.275 4.736 1.00 0.00 O ATOM 696 CB GLU A 112 8.261 -14.275 5.979 1.00 0.00 C ATOM 697 CG GLU A 112 7.278 -15.039 6.851 1.00 0.00 C ATOM 698 CD GLU A 112 7.954 -16.093 7.707 1.00 0.00 C ATOM 699 OE1 GLU A 112 8.813 -15.722 8.535 1.00 0.00 O ATOM 700 OE2 GLU A 112 7.625 -17.287 7.549 1.00 0.00 O ATOM 0 H GLU A 112 6.379 -14.638 4.425 1.00 0.00 H new ATOM 0 HA GLU A 112 7.163 -12.430 5.889 1.00 0.00 H new ATOM 0 HB2 GLU A 112 8.729 -14.968 5.280 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.055 -13.872 6.608 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.749 -14.337 7.496 1.00 0.00 H new ATOM 0 HG3 GLU A 112 6.530 -15.516 6.217 1.00 0.00 H new ATOM 707 N ARG A 113 9.156 -13.021 3.318 1.00 0.00 N ATOM 708 CA ARG A 113 10.179 -12.423 2.468 1.00 0.00 C ATOM 709 C ARG A 113 10.000 -10.910 2.383 1.00 0.00 C ATOM 710 O ARG A 113 10.976 -10.162 2.329 1.00 0.00 O ATOM 711 CB ARG A 113 10.128 -13.033 1.066 1.00 0.00 C ATOM 712 CG ARG A 113 11.013 -14.258 0.901 1.00 0.00 C ATOM 713 CD ARG A 113 12.404 -13.879 0.419 1.00 0.00 C ATOM 714 NE ARG A 113 13.335 -13.689 1.528 1.00 0.00 N ATOM 715 CZ ARG A 113 14.051 -14.673 2.062 1.00 0.00 C ATOM 716 NH1 ARG A 113 13.944 -15.907 1.591 1.00 0.00 N ATOM 717 NH2 ARG A 113 14.878 -14.421 3.070 1.00 0.00 N ATOM 0 H ARG A 113 8.844 -13.945 3.017 1.00 0.00 H new ATOM 0 HA ARG A 113 11.152 -12.632 2.913 1.00 0.00 H new ATOM 0 HB2 ARG A 113 9.098 -13.306 0.835 1.00 0.00 H new ATOM 0 HB3 ARG A 113 10.428 -12.278 0.340 1.00 0.00 H new ATOM 0 HG2 ARG A 113 11.087 -14.785 1.852 1.00 0.00 H new ATOM 0 HG3 ARG A 113 10.555 -14.946 0.190 1.00 0.00 H new ATOM 0 HD2 ARG A 113 12.783 -14.658 -0.243 1.00 0.00 H new ATOM 0 HD3 ARG A 113 12.347 -12.962 -0.168 1.00 0.00 H new ATOM 0 HE ARG A 113 13.441 -12.751 1.913 1.00 0.00 H new ATOM 0 HH11 ARG A 113 13.311 -16.104 0.816 1.00 0.00 H new ATOM 0 HH12 ARG A 113 14.495 -16.660 2.003 1.00 0.00 H new ATOM 0 HH21 ARG A 113 14.964 -13.472 3.434 1.00 0.00 H new ATOM 0 HH22 ARG A 113 15.428 -15.176 3.480 1.00 0.00 H new ATOM 731 N SER A 114 8.747 -10.468 2.370 1.00 0.00 N ATOM 732 CA SER A 114 8.440 -9.045 2.287 1.00 0.00 C ATOM 733 C SER A 114 9.053 -8.429 1.034 1.00 0.00 C ATOM 734 O SER A 114 9.617 -7.335 1.077 1.00 0.00 O ATOM 735 CB SER A 114 8.954 -8.317 3.531 1.00 0.00 C ATOM 736 OG SER A 114 10.347 -8.075 3.440 1.00 0.00 O ATOM 0 H SER A 114 7.928 -11.074 2.416 1.00 0.00 H new ATOM 0 HA SER A 114 7.357 -8.935 2.232 1.00 0.00 H new ATOM 0 HB2 SER A 114 8.424 -7.372 3.648 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.742 -8.913 4.419 1.00 0.00 H new ATOM 0 HG SER A 114 10.812 -8.912 3.232 1.00 0.00 H new ATOM 742 N CYS A 115 8.939 -9.139 -0.083 1.00 0.00 N ATOM 743 CA CYS A 115 9.482 -8.665 -1.351 1.00 0.00 C ATOM 744 C CYS A 115 9.349 -7.149 -1.466 1.00 0.00 C ATOM 745 O CYS A 115 8.448 -6.547 -0.882 1.00 0.00 O ATOM 746 CB CYS A 115 8.765 -9.341 -2.521 1.00 0.00 C ATOM 747 SG CYS A 115 8.464 -11.121 -2.281 1.00 0.00 S ATOM 0 H CYS A 115 8.475 -10.046 -0.136 1.00 0.00 H new ATOM 0 HA CYS A 115 10.540 -8.923 -1.384 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.810 -8.841 -2.686 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.358 -9.202 -3.425 1.00 0.00 H new ATOM 0 HG CYS A 115 7.185 -11.351 -2.296 1.00 0.00 H new ATOM 752 N LYS A 116 10.254 -6.538 -2.223 1.00 0.00 N ATOM 753 CA LYS A 116 10.240 -5.093 -2.417 1.00 0.00 C ATOM 754 C LYS A 116 9.826 -4.740 -3.842 1.00 0.00 C ATOM 755 O LYS A 116 10.583 -4.954 -4.789 1.00 0.00 O ATOM 756 CB LYS A 116 11.619 -4.503 -2.114 1.00 0.00 C ATOM 757 CG LYS A 116 11.947 -4.452 -0.632 1.00 0.00 C ATOM 758 CD LYS A 116 13.437 -4.274 -0.396 1.00 0.00 C ATOM 759 CE LYS A 116 14.157 -5.613 -0.348 1.00 0.00 C ATOM 760 NZ LYS A 116 15.636 -5.446 -0.289 1.00 0.00 N ATOM 0 H LYS A 116 11.007 -7.022 -2.713 1.00 0.00 H new ATOM 0 HA LYS A 116 9.510 -4.666 -1.729 1.00 0.00 H new ATOM 0 HB2 LYS A 116 12.378 -5.095 -2.625 1.00 0.00 H new ATOM 0 HB3 LYS A 116 11.671 -3.494 -2.524 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.403 -3.630 -0.166 1.00 0.00 H new ATOM 0 HG3 LYS A 116 11.609 -5.370 -0.152 1.00 0.00 H new ATOM 0 HD2 LYS A 116 13.861 -3.660 -1.190 1.00 0.00 H new ATOM 0 HD3 LYS A 116 13.597 -3.740 0.541 1.00 0.00 H new ATOM 0 HE2 LYS A 116 13.820 -6.175 0.523 1.00 0.00 H new ATOM 0 HE3 LYS A 116 13.893 -6.199 -1.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 16.090 -6.381 -0.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 15.961 -4.931 -1.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 15.891 -4.909 0.564 1.00 0.00 H new ATOM 774 N ILE A 117 8.622 -4.196 -3.986 1.00 0.00 N ATOM 775 CA ILE A 117 8.110 -3.811 -5.295 1.00 0.00 C ATOM 776 C ILE A 117 8.979 -2.731 -5.930 1.00 0.00 C ATOM 777 O ILE A 117 9.091 -1.624 -5.405 1.00 0.00 O ATOM 778 CB ILE A 117 6.660 -3.300 -5.205 1.00 0.00 C ATOM 779 CG1 ILE A 117 5.778 -4.325 -4.488 1.00 0.00 C ATOM 780 CG2 ILE A 117 6.115 -3.003 -6.594 1.00 0.00 C ATOM 781 CD1 ILE A 117 5.635 -5.629 -5.241 1.00 0.00 C ATOM 0 H ILE A 117 7.983 -4.012 -3.212 1.00 0.00 H new ATOM 0 HA ILE A 117 8.133 -4.705 -5.918 1.00 0.00 H new ATOM 0 HB ILE A 117 6.652 -2.375 -4.628 1.00 0.00 H new ATOM 0 HG12 ILE A 117 6.198 -4.528 -3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 117 4.789 -3.895 -4.331 1.00 0.00 H new ATOM 0 HG21 ILE A 117 5.089 -2.643 -6.513 1.00 0.00 H new ATOM 0 HG22 ILE A 117 6.731 -2.241 -7.071 1.00 0.00 H new ATOM 0 HG23 ILE A 117 6.134 -3.913 -7.194 1.00 0.00 H new ATOM 0 HD11 ILE A 117 4.997 -6.308 -4.675 1.00 0.00 H new ATOM 0 HD12 ILE A 117 5.187 -5.439 -6.216 1.00 0.00 H new ATOM 0 HD13 ILE A 117 6.618 -6.081 -5.375 1.00 0.00 H new ATOM 793 N GLN A 118 9.591 -3.061 -7.062 1.00 0.00 N ATOM 794 CA GLN A 118 10.450 -2.118 -7.769 1.00 0.00 C ATOM 795 C GLN A 118 10.005 -1.958 -9.219 1.00 0.00 C ATOM 796 O GLN A 118 9.321 -2.821 -9.769 1.00 0.00 O ATOM 797 CB GLN A 118 11.906 -2.585 -7.719 1.00 0.00 C ATOM 798 CG GLN A 118 12.912 -1.452 -7.829 1.00 0.00 C ATOM 799 CD GLN A 118 12.513 -0.236 -7.016 1.00 0.00 C ATOM 800 OE1 GLN A 118 11.921 0.708 -7.540 1.00 0.00 O ATOM 801 NE2 GLN A 118 12.836 -0.252 -5.729 1.00 0.00 N ATOM 0 H GLN A 118 9.508 -3.974 -7.510 1.00 0.00 H new ATOM 0 HA GLN A 118 10.369 -1.150 -7.274 1.00 0.00 H new ATOM 0 HB2 GLN A 118 12.075 -3.121 -6.785 1.00 0.00 H new ATOM 0 HB3 GLN A 118 12.080 -3.294 -8.529 1.00 0.00 H new ATOM 0 HG2 GLN A 118 13.888 -1.804 -7.494 1.00 0.00 H new ATOM 0 HG3 GLN A 118 13.018 -1.166 -8.875 1.00 0.00 H new ATOM 0 HE21 GLN A 118 13.327 -1.055 -5.336 1.00 0.00 H new ATOM 0 HE22 GLN A 118 12.593 0.539 -5.132 1.00 0.00 H new ATOM 810 N LYS A 119 10.397 -0.847 -9.833 1.00 0.00 N ATOM 811 CA LYS A 119 10.039 -0.572 -11.220 1.00 0.00 C ATOM 812 C LYS A 119 10.457 -1.724 -12.128 1.00 0.00 C ATOM 813 O LYS A 119 9.649 -2.249 -12.894 1.00 0.00 O ATOM 814 CB LYS A 119 10.698 0.727 -11.690 1.00 0.00 C ATOM 815 CG LYS A 119 10.577 0.963 -13.186 1.00 0.00 C ATOM 816 CD LYS A 119 9.307 1.724 -13.529 1.00 0.00 C ATOM 817 CE LYS A 119 9.461 2.511 -14.821 1.00 0.00 C ATOM 818 NZ LYS A 119 9.424 1.626 -16.018 1.00 0.00 N ATOM 0 H LYS A 119 10.963 -0.122 -9.392 1.00 0.00 H new ATOM 0 HA LYS A 119 8.956 -0.464 -11.275 1.00 0.00 H new ATOM 0 HB2 LYS A 119 10.247 1.566 -11.160 1.00 0.00 H new ATOM 0 HB3 LYS A 119 11.753 0.709 -11.418 1.00 0.00 H new ATOM 0 HG2 LYS A 119 11.444 1.522 -13.538 1.00 0.00 H new ATOM 0 HG3 LYS A 119 10.581 0.006 -13.708 1.00 0.00 H new ATOM 0 HD2 LYS A 119 8.477 1.024 -13.625 1.00 0.00 H new ATOM 0 HD3 LYS A 119 9.058 2.404 -12.715 1.00 0.00 H new ATOM 0 HE2 LYS A 119 8.664 3.251 -14.892 1.00 0.00 H new ATOM 0 HE3 LYS A 119 10.404 3.058 -14.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 9.110 2.173 -16.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 10.375 1.244 -16.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 8.762 0.842 -15.850 1.00 0.00 H new ATOM 832 N LYS A 120 11.724 -2.115 -12.036 1.00 0.00 N ATOM 833 CA LYS A 120 12.249 -3.207 -12.847 1.00 0.00 C ATOM 834 C LYS A 120 11.291 -4.393 -12.849 1.00 0.00 C ATOM 835 O LYS A 120 10.969 -4.942 -13.902 1.00 0.00 O ATOM 836 CB LYS A 120 13.619 -3.645 -12.324 1.00 0.00 C ATOM 837 CG LYS A 120 14.498 -4.287 -13.383 1.00 0.00 C ATOM 838 CD LYS A 120 15.452 -5.302 -12.776 1.00 0.00 C ATOM 839 CE LYS A 120 16.742 -4.645 -12.309 1.00 0.00 C ATOM 840 NZ LYS A 120 17.700 -4.447 -13.431 1.00 0.00 N ATOM 0 H LYS A 120 12.406 -1.691 -11.407 1.00 0.00 H new ATOM 0 HA LYS A 120 12.355 -2.847 -13.870 1.00 0.00 H new ATOM 0 HB2 LYS A 120 14.135 -2.778 -11.912 1.00 0.00 H new ATOM 0 HB3 LYS A 120 13.477 -4.350 -11.505 1.00 0.00 H new ATOM 0 HG2 LYS A 120 13.872 -4.776 -14.129 1.00 0.00 H new ATOM 0 HG3 LYS A 120 15.068 -3.515 -13.901 1.00 0.00 H new ATOM 0 HD2 LYS A 120 14.970 -5.798 -11.934 1.00 0.00 H new ATOM 0 HD3 LYS A 120 15.681 -6.073 -13.512 1.00 0.00 H new ATOM 0 HE2 LYS A 120 16.514 -3.682 -11.851 1.00 0.00 H new ATOM 0 HE3 LYS A 120 17.206 -5.262 -11.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 18.566 -3.997 -13.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 17.937 -5.368 -13.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 17.267 -3.837 -14.154 1.00 0.00 H new ATOM 854 N ASN A 121 10.837 -4.783 -11.662 1.00 0.00 N ATOM 855 CA ASN A 121 9.914 -5.904 -11.527 1.00 0.00 C ATOM 856 C ASN A 121 8.667 -5.492 -10.750 1.00 0.00 C ATOM 857 O ASN A 121 8.561 -5.740 -9.549 1.00 0.00 O ATOM 858 CB ASN A 121 10.602 -7.076 -10.824 1.00 0.00 C ATOM 859 CG ASN A 121 11.709 -7.684 -11.663 1.00 0.00 C ATOM 860 OD1 ASN A 121 11.449 -8.387 -12.639 1.00 0.00 O ATOM 861 ND2 ASN A 121 12.953 -7.415 -11.284 1.00 0.00 N ATOM 0 H ASN A 121 11.093 -4.339 -10.780 1.00 0.00 H new ATOM 0 HA ASN A 121 9.611 -6.215 -12.527 1.00 0.00 H new ATOM 0 HB2 ASN A 121 11.015 -6.735 -9.875 1.00 0.00 H new ATOM 0 HB3 ASN A 121 9.862 -7.842 -10.593 1.00 0.00 H new ATOM 0 HD21 ASN A 121 13.740 -7.796 -11.809 1.00 0.00 H new ATOM 0 HD22 ASN A 121 13.122 -6.827 -10.468 1.00 0.00 H new ATOM 868 N ARG A 122 7.725 -4.861 -11.445 1.00 0.00 N ATOM 869 CA ARG A 122 6.486 -4.414 -10.821 1.00 0.00 C ATOM 870 C ARG A 122 5.650 -5.604 -10.357 1.00 0.00 C ATOM 871 O ARG A 122 5.268 -5.689 -9.191 1.00 0.00 O ATOM 872 CB ARG A 122 5.677 -3.559 -11.799 1.00 0.00 C ATOM 873 CG ARG A 122 6.346 -2.241 -12.152 1.00 0.00 C ATOM 874 CD ARG A 122 5.356 -1.259 -12.758 1.00 0.00 C ATOM 875 NE ARG A 122 6.019 -0.250 -13.581 1.00 0.00 N ATOM 876 CZ ARG A 122 5.410 0.422 -14.551 1.00 0.00 C ATOM 877 NH1 ARG A 122 4.132 0.196 -14.819 1.00 0.00 N ATOM 878 NH2 ARG A 122 6.081 1.325 -15.256 1.00 0.00 N ATOM 0 H ARG A 122 7.797 -4.648 -12.440 1.00 0.00 H new ATOM 0 HA ARG A 122 6.744 -3.812 -9.950 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.509 -4.128 -12.713 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.698 -3.355 -11.366 1.00 0.00 H new ATOM 0 HG2 ARG A 122 6.790 -1.806 -11.257 1.00 0.00 H new ATOM 0 HG3 ARG A 122 7.159 -2.421 -12.856 1.00 0.00 H new ATOM 0 HD2 ARG A 122 4.632 -1.803 -13.365 1.00 0.00 H new ATOM 0 HD3 ARG A 122 4.799 -0.767 -11.960 1.00 0.00 H new ATOM 0 HE ARG A 122 7.003 -0.051 -13.401 1.00 0.00 H new ATOM 0 HH11 ARG A 122 3.612 -0.496 -14.279 1.00 0.00 H new ATOM 0 HH12 ARG A 122 3.668 0.714 -15.565 1.00 0.00 H new ATOM 0 HH21 ARG A 122 7.065 1.503 -15.053 1.00 0.00 H new ATOM 0 HH22 ARG A 122 5.613 1.841 -16.001 1.00 0.00 H new ATOM 892 N ASN A 123 5.371 -6.519 -11.280 1.00 0.00 N ATOM 893 CA ASN A 123 4.580 -7.703 -10.966 1.00 0.00 C ATOM 894 C ASN A 123 5.473 -8.841 -10.481 1.00 0.00 C ATOM 895 O ASN A 123 5.934 -9.664 -11.272 1.00 0.00 O ATOM 896 CB ASN A 123 3.785 -8.151 -12.194 1.00 0.00 C ATOM 897 CG ASN A 123 2.697 -9.149 -11.846 1.00 0.00 C ATOM 898 OD1 ASN A 123 2.063 -9.052 -10.796 1.00 0.00 O ATOM 899 ND2 ASN A 123 2.478 -10.116 -12.730 1.00 0.00 N ATOM 0 H ASN A 123 5.681 -6.463 -12.250 1.00 0.00 H new ATOM 0 HA ASN A 123 3.886 -7.444 -10.167 1.00 0.00 H new ATOM 0 HB2 ASN A 123 3.336 -7.280 -12.670 1.00 0.00 H new ATOM 0 HB3 ASN A 123 4.464 -8.597 -12.920 1.00 0.00 H new ATOM 0 HD21 ASN A 123 1.759 -10.817 -12.551 1.00 0.00 H new ATOM 0 HD22 ASN A 123 3.028 -10.157 -13.588 1.00 0.00 H new ATOM 906 N LYS A 124 5.712 -8.883 -9.175 1.00 0.00 N ATOM 907 CA LYS A 124 6.548 -9.920 -8.582 1.00 0.00 C ATOM 908 C LYS A 124 5.785 -10.683 -7.504 1.00 0.00 C ATOM 909 O LYS A 124 5.540 -11.883 -7.634 1.00 0.00 O ATOM 910 CB LYS A 124 7.815 -9.304 -7.985 1.00 0.00 C ATOM 911 CG LYS A 124 8.694 -10.306 -7.258 1.00 0.00 C ATOM 912 CD LYS A 124 9.642 -11.013 -8.212 1.00 0.00 C ATOM 913 CE LYS A 124 10.778 -10.100 -8.648 1.00 0.00 C ATOM 914 NZ LYS A 124 11.674 -10.762 -9.636 1.00 0.00 N ATOM 0 H LYS A 124 5.338 -8.210 -8.506 1.00 0.00 H new ATOM 0 HA LYS A 124 6.828 -10.620 -9.369 1.00 0.00 H new ATOM 0 HB2 LYS A 124 8.393 -8.838 -8.783 1.00 0.00 H new ATOM 0 HB3 LYS A 124 7.532 -8.512 -7.292 1.00 0.00 H new ATOM 0 HG2 LYS A 124 9.268 -9.794 -6.486 1.00 0.00 H new ATOM 0 HG3 LYS A 124 8.068 -11.042 -6.754 1.00 0.00 H new ATOM 0 HD2 LYS A 124 10.052 -11.900 -7.729 1.00 0.00 H new ATOM 0 HD3 LYS A 124 9.091 -11.354 -9.088 1.00 0.00 H new ATOM 0 HE2 LYS A 124 10.366 -9.190 -9.084 1.00 0.00 H new ATOM 0 HE3 LYS A 124 11.358 -9.800 -7.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 12.435 -10.107 -9.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 12.088 -11.616 -9.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 11.126 -11.025 -10.480 1.00 0.00 H new ATOM 928 N CYS A 125 5.410 -9.981 -6.441 1.00 0.00 N ATOM 929 CA CYS A 125 4.674 -10.591 -5.340 1.00 0.00 C ATOM 930 C CYS A 125 3.277 -9.989 -5.220 1.00 0.00 C ATOM 931 O CYS A 125 3.094 -8.784 -5.389 1.00 0.00 O ATOM 932 CB CYS A 125 5.435 -10.408 -4.026 1.00 0.00 C ATOM 933 SG CYS A 125 4.776 -11.391 -2.642 1.00 0.00 S ATOM 0 H CYS A 125 5.604 -8.987 -6.318 1.00 0.00 H new ATOM 0 HA CYS A 125 4.575 -11.656 -5.549 1.00 0.00 H new ATOM 0 HB2 CYS A 125 6.480 -10.676 -4.183 1.00 0.00 H new ATOM 0 HB3 CYS A 125 5.415 -9.354 -3.751 1.00 0.00 H new ATOM 0 HG CYS A 125 5.104 -10.830 -1.516 1.00 0.00 H new ATOM 938 N GLN A 126 2.296 -10.837 -4.928 1.00 0.00 N ATOM 939 CA GLN A 126 0.916 -10.389 -4.785 1.00 0.00 C ATOM 940 C GLN A 126 0.651 -9.884 -3.371 1.00 0.00 C ATOM 941 O GLN A 126 0.057 -8.823 -3.181 1.00 0.00 O ATOM 942 CB GLN A 126 -0.049 -11.526 -5.124 1.00 0.00 C ATOM 943 CG GLN A 126 -0.128 -11.836 -6.610 1.00 0.00 C ATOM 944 CD GLN A 126 -0.852 -13.136 -6.898 1.00 0.00 C ATOM 945 OE1 GLN A 126 -1.920 -13.143 -7.510 1.00 0.00 O ATOM 946 NE2 GLN A 126 -0.274 -14.247 -6.456 1.00 0.00 N ATOM 0 H GLN A 126 2.431 -11.838 -4.786 1.00 0.00 H new ATOM 0 HA GLN A 126 0.754 -9.566 -5.480 1.00 0.00 H new ATOM 0 HB2 GLN A 126 0.260 -12.425 -4.590 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -1.044 -11.267 -4.762 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -0.639 -11.020 -7.121 1.00 0.00 H new ATOM 0 HG3 GLN A 126 0.880 -11.888 -7.020 1.00 0.00 H new ATOM 0 HE21 GLN A 126 0.612 -14.196 -5.953 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -0.716 -15.152 -6.620 1.00 0.00 H new ATOM 955 N TYR A 127 1.094 -10.652 -2.382 1.00 0.00 N ATOM 956 CA TYR A 127 0.902 -10.285 -0.984 1.00 0.00 C ATOM 957 C TYR A 127 1.593 -8.962 -0.668 1.00 0.00 C ATOM 958 O TYR A 127 0.952 -7.996 -0.254 1.00 0.00 O ATOM 959 CB TYR A 127 1.438 -11.385 -0.067 1.00 0.00 C ATOM 960 CG TYR A 127 1.348 -11.045 1.404 1.00 0.00 C ATOM 961 CD1 TYR A 127 0.193 -11.309 2.129 1.00 0.00 C ATOM 962 CD2 TYR A 127 2.419 -10.460 2.069 1.00 0.00 C ATOM 963 CE1 TYR A 127 0.106 -11.000 3.472 1.00 0.00 C ATOM 964 CE2 TYR A 127 2.341 -10.149 3.412 1.00 0.00 C ATOM 965 CZ TYR A 127 1.182 -10.420 4.110 1.00 0.00 C ATOM 966 OH TYR A 127 1.100 -10.111 5.448 1.00 0.00 O ATOM 0 H TYR A 127 1.589 -11.533 -2.523 1.00 0.00 H new ATOM 0 HA TYR A 127 -0.167 -10.166 -0.810 1.00 0.00 H new ATOM 0 HB2 TYR A 127 0.883 -12.304 -0.253 1.00 0.00 H new ATOM 0 HB3 TYR A 127 2.479 -11.584 -0.322 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -0.652 -11.764 1.634 1.00 0.00 H new ATOM 0 HD2 TYR A 127 3.328 -10.245 1.526 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -0.800 -11.212 4.020 1.00 0.00 H new ATOM 0 HE2 TYR A 127 3.183 -9.696 3.914 1.00 0.00 H new ATOM 0 HH TYR A 127 1.944 -9.709 5.743 1.00 0.00 H new ATOM 976 N CYS A 128 2.906 -8.926 -0.869 1.00 0.00 N ATOM 977 CA CYS A 128 3.687 -7.723 -0.607 1.00 0.00 C ATOM 978 C CYS A 128 3.080 -6.515 -1.314 1.00 0.00 C ATOM 979 O CYS A 128 2.736 -5.519 -0.678 1.00 0.00 O ATOM 980 CB CYS A 128 5.134 -7.920 -1.063 1.00 0.00 C ATOM 981 SG CYS A 128 6.078 -9.105 -0.050 1.00 0.00 S ATOM 0 H CYS A 128 3.452 -9.716 -1.213 1.00 0.00 H new ATOM 0 HA CYS A 128 3.673 -7.538 0.467 1.00 0.00 H new ATOM 0 HB2 CYS A 128 5.134 -8.262 -2.098 1.00 0.00 H new ATOM 0 HB3 CYS A 128 5.644 -6.957 -1.046 1.00 0.00 H new ATOM 0 HG CYS A 128 6.754 -9.898 -0.827 1.00 0.00 H new ATOM 986 N ARG A 129 2.951 -6.611 -2.633 1.00 0.00 N ATOM 987 CA ARG A 129 2.386 -5.527 -3.428 1.00 0.00 C ATOM 988 C ARG A 129 1.204 -4.885 -2.708 1.00 0.00 C ATOM 989 O ARG A 129 1.121 -3.662 -2.596 1.00 0.00 O ATOM 990 CB ARG A 129 1.943 -6.046 -4.797 1.00 0.00 C ATOM 991 CG ARG A 129 1.538 -4.945 -5.763 1.00 0.00 C ATOM 992 CD ARG A 129 2.735 -4.413 -6.535 1.00 0.00 C ATOM 993 NE ARG A 129 2.332 -3.563 -7.652 1.00 0.00 N ATOM 994 CZ ARG A 129 1.716 -4.019 -8.737 1.00 0.00 C ATOM 995 NH1 ARG A 129 1.432 -5.309 -8.850 1.00 0.00 N ATOM 996 NH2 ARG A 129 1.381 -3.183 -9.712 1.00 0.00 N ATOM 0 H ARG A 129 3.230 -7.429 -3.174 1.00 0.00 H new ATOM 0 HA ARG A 129 3.159 -4.771 -3.567 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.756 -6.624 -5.238 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.103 -6.728 -4.663 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.794 -5.328 -6.462 1.00 0.00 H new ATOM 0 HG3 ARG A 129 1.068 -4.131 -5.212 1.00 0.00 H new ATOM 0 HD2 ARG A 129 3.378 -3.846 -5.862 1.00 0.00 H new ATOM 0 HD3 ARG A 129 3.325 -5.249 -6.910 1.00 0.00 H new ATOM 0 HE ARG A 129 2.535 -2.565 -7.596 1.00 0.00 H new ATOM 0 HH11 ARG A 129 1.687 -5.955 -8.102 1.00 0.00 H new ATOM 0 HH12 ARG A 129 0.959 -5.656 -9.684 1.00 0.00 H new ATOM 0 HH21 ARG A 129 1.597 -2.190 -9.629 1.00 0.00 H new ATOM 0 HH22 ARG A 129 0.908 -3.534 -10.545 1.00 0.00 H new ATOM 1010 N PHE A 130 0.290 -5.719 -2.222 1.00 0.00 N ATOM 1011 CA PHE A 130 -0.889 -5.233 -1.515 1.00 0.00 C ATOM 1012 C PHE A 130 -0.505 -4.637 -0.164 1.00 0.00 C ATOM 1013 O PHE A 130 -0.811 -3.481 0.125 1.00 0.00 O ATOM 1014 CB PHE A 130 -1.895 -6.369 -1.317 1.00 0.00 C ATOM 1015 CG PHE A 130 -3.213 -5.912 -0.761 1.00 0.00 C ATOM 1016 CD1 PHE A 130 -3.378 -5.727 0.603 1.00 0.00 C ATOM 1017 CD2 PHE A 130 -4.287 -5.667 -1.601 1.00 0.00 C ATOM 1018 CE1 PHE A 130 -4.590 -5.307 1.117 1.00 0.00 C ATOM 1019 CE2 PHE A 130 -5.502 -5.247 -1.092 1.00 0.00 C ATOM 1020 CZ PHE A 130 -5.653 -5.066 0.269 1.00 0.00 C ATOM 0 H PHE A 130 0.343 -6.734 -2.305 1.00 0.00 H new ATOM 0 HA PHE A 130 -1.349 -4.451 -2.120 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -2.065 -6.864 -2.273 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -1.464 -7.112 -0.646 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -2.550 -5.913 1.271 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -4.174 -5.806 -2.666 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -4.706 -5.167 2.182 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -6.332 -5.061 -1.758 1.00 0.00 H new ATOM 0 HZ PHE A 130 -6.601 -4.737 0.669 1.00 0.00 H new ATOM 1030 N GLN A 131 0.166 -5.436 0.660 1.00 0.00 N ATOM 1031 CA GLN A 131 0.590 -4.988 1.981 1.00 0.00 C ATOM 1032 C GLN A 131 1.194 -3.590 1.914 1.00 0.00 C ATOM 1033 O GLN A 131 0.783 -2.688 2.644 1.00 0.00 O ATOM 1034 CB GLN A 131 1.605 -5.967 2.573 1.00 0.00 C ATOM 1035 CG GLN A 131 0.971 -7.088 3.381 1.00 0.00 C ATOM 1036 CD GLN A 131 0.015 -6.574 4.440 1.00 0.00 C ATOM 1037 OE1 GLN A 131 0.043 -5.397 4.799 1.00 0.00 O ATOM 1038 NE2 GLN A 131 -0.838 -7.457 4.945 1.00 0.00 N ATOM 0 H GLN A 131 0.427 -6.396 0.436 1.00 0.00 H new ATOM 0 HA GLN A 131 -0.289 -4.953 2.625 1.00 0.00 H new ATOM 0 HB2 GLN A 131 2.193 -6.401 1.764 1.00 0.00 H new ATOM 0 HB3 GLN A 131 2.298 -5.418 3.211 1.00 0.00 H new ATOM 0 HG2 GLN A 131 0.436 -7.758 2.708 1.00 0.00 H new ATOM 0 HG3 GLN A 131 1.755 -7.675 3.859 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -0.826 -8.423 4.618 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -1.506 -7.170 5.660 1.00 0.00 H new ATOM 1047 N LYS A 132 2.173 -3.415 1.032 1.00 0.00 N ATOM 1048 CA LYS A 132 2.835 -2.126 0.868 1.00 0.00 C ATOM 1049 C LYS A 132 1.818 -0.990 0.862 1.00 0.00 C ATOM 1050 O LYS A 132 1.952 -0.020 1.610 1.00 0.00 O ATOM 1051 CB LYS A 132 3.644 -2.107 -0.431 1.00 0.00 C ATOM 1052 CG LYS A 132 4.405 -0.812 -0.655 1.00 0.00 C ATOM 1053 CD LYS A 132 5.693 -1.048 -1.425 1.00 0.00 C ATOM 1054 CE LYS A 132 6.465 0.247 -1.630 1.00 0.00 C ATOM 1055 NZ LYS A 132 7.823 0.000 -2.190 1.00 0.00 N ATOM 0 H LYS A 132 2.526 -4.150 0.419 1.00 0.00 H new ATOM 0 HA LYS A 132 3.510 -1.982 1.712 1.00 0.00 H new ATOM 0 HB2 LYS A 132 4.351 -2.937 -0.421 1.00 0.00 H new ATOM 0 HB3 LYS A 132 2.970 -2.272 -1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 132 3.776 -0.110 -1.202 1.00 0.00 H new ATOM 0 HG3 LYS A 132 4.634 -0.353 0.307 1.00 0.00 H new ATOM 0 HD2 LYS A 132 6.315 -1.762 -0.886 1.00 0.00 H new ATOM 0 HD3 LYS A 132 5.463 -1.493 -2.393 1.00 0.00 H new ATOM 0 HE2 LYS A 132 5.908 0.899 -2.302 1.00 0.00 H new ATOM 0 HE3 LYS A 132 6.554 0.771 -0.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 8.317 0.907 -2.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 8.364 -0.602 -1.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 7.738 -0.477 -3.110 1.00 0.00 H new ATOM 1069 N CYS A 133 0.801 -1.116 0.017 1.00 0.00 N ATOM 1070 CA CYS A 133 -0.240 -0.099 -0.085 1.00 0.00 C ATOM 1071 C CYS A 133 -0.807 0.238 1.291 1.00 0.00 C ATOM 1072 O CYS A 133 -0.862 1.404 1.683 1.00 0.00 O ATOM 1073 CB CYS A 133 -1.360 -0.576 -1.009 1.00 0.00 C ATOM 1074 SG CYS A 133 -1.027 -0.317 -2.767 1.00 0.00 S ATOM 0 H CYS A 133 0.675 -1.912 -0.608 1.00 0.00 H new ATOM 0 HA CYS A 133 0.207 0.802 -0.505 1.00 0.00 H new ATOM 0 HB2 CYS A 133 -1.532 -1.638 -0.835 1.00 0.00 H new ATOM 0 HB3 CYS A 133 -2.281 -0.057 -0.744 1.00 0.00 H new ATOM 0 HG CYS A 133 -1.898 0.515 -3.256 1.00 0.00 H new ATOM 1080 N LEU A 134 -1.230 -0.790 2.018 1.00 0.00 N ATOM 1081 CA LEU A 134 -1.795 -0.604 3.350 1.00 0.00 C ATOM 1082 C LEU A 134 -0.886 0.267 4.210 1.00 0.00 C ATOM 1083 O LEU A 134 -1.340 1.226 4.836 1.00 0.00 O ATOM 1084 CB LEU A 134 -2.012 -1.959 4.027 1.00 0.00 C ATOM 1085 CG LEU A 134 -3.006 -2.899 3.344 1.00 0.00 C ATOM 1086 CD1 LEU A 134 -2.847 -4.317 3.871 1.00 0.00 C ATOM 1087 CD2 LEU A 134 -4.431 -2.408 3.548 1.00 0.00 C ATOM 0 H LEU A 134 -1.193 -1.761 1.708 1.00 0.00 H new ATOM 0 HA LEU A 134 -2.756 -0.100 3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -1.050 -2.467 4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -2.352 -1.782 5.048 1.00 0.00 H new ATOM 0 HG LEU A 134 -2.796 -2.905 2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -3.562 -4.972 3.374 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -1.834 -4.668 3.672 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -3.030 -4.329 4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -5.125 -3.089 3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -4.654 -2.372 4.614 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -4.537 -1.411 3.121 1.00 0.00 H new ATOM 1099 N ALA A 135 0.399 -0.071 4.235 1.00 0.00 N ATOM 1100 CA ALA A 135 1.372 0.684 5.016 1.00 0.00 C ATOM 1101 C ALA A 135 1.471 2.124 4.524 1.00 0.00 C ATOM 1102 O ALA A 135 1.614 3.054 5.320 1.00 0.00 O ATOM 1103 CB ALA A 135 2.734 0.008 4.956 1.00 0.00 C ATOM 0 H ALA A 135 0.791 -0.862 3.724 1.00 0.00 H new ATOM 0 HA ALA A 135 1.034 0.704 6.052 1.00 0.00 H new ATOM 0 HB1 ALA A 135 3.451 0.582 5.543 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.658 -1.001 5.361 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.070 -0.042 3.920 1.00 0.00 H new ATOM 1109 N LEU A 136 1.396 2.303 3.210 1.00 0.00 N ATOM 1110 CA LEU A 136 1.478 3.631 2.612 1.00 0.00 C ATOM 1111 C LEU A 136 0.370 4.535 3.141 1.00 0.00 C ATOM 1112 O LEU A 136 0.535 5.751 3.228 1.00 0.00 O ATOM 1113 CB LEU A 136 1.388 3.532 1.089 1.00 0.00 C ATOM 1114 CG LEU A 136 2.630 2.995 0.376 1.00 0.00 C ATOM 1115 CD1 LEU A 136 2.303 2.628 -1.063 1.00 0.00 C ATOM 1116 CD2 LEU A 136 3.756 4.017 0.425 1.00 0.00 C ATOM 0 H LEU A 136 1.278 1.545 2.538 1.00 0.00 H new ATOM 0 HA LEU A 136 2.439 4.067 2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 136 0.543 2.892 0.836 1.00 0.00 H new ATOM 0 HB3 LEU A 136 1.166 4.523 0.693 1.00 0.00 H new ATOM 0 HG LEU A 136 2.961 2.094 0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 136 3.199 2.248 -1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.529 1.861 -1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 136 1.947 3.512 -1.592 1.00 0.00 H new ATOM 0 HD21 LEU A 136 4.632 3.618 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 136 3.435 4.936 -0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 136 4.009 4.230 1.464 1.00 0.00 H new ATOM 1128 N GLY A 137 -0.761 3.932 3.495 1.00 0.00 N ATOM 1129 CA GLY A 137 -1.880 4.698 4.013 1.00 0.00 C ATOM 1130 C GLY A 137 -3.114 4.586 3.140 1.00 0.00 C ATOM 1131 O GLY A 137 -3.928 5.507 3.083 1.00 0.00 O ATOM 0 H GLY A 137 -0.922 2.927 3.432 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -2.118 4.352 5.019 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -1.591 5.746 4.096 1.00 0.00 H new ATOM 1135 N MET A 138 -3.252 3.454 2.458 1.00 0.00 N ATOM 1136 CA MET A 138 -4.396 3.224 1.583 1.00 0.00 C ATOM 1137 C MET A 138 -5.621 2.804 2.389 1.00 0.00 C ATOM 1138 O MET A 138 -5.548 2.639 3.606 1.00 0.00 O ATOM 1139 CB MET A 138 -4.063 2.153 0.543 1.00 0.00 C ATOM 1140 CG MET A 138 -3.328 2.694 -0.673 1.00 0.00 C ATOM 1141 SD MET A 138 -3.683 1.758 -2.172 1.00 0.00 S ATOM 1142 CE MET A 138 -3.060 2.877 -3.425 1.00 0.00 C ATOM 0 H MET A 138 -2.586 2.682 2.494 1.00 0.00 H new ATOM 0 HA MET A 138 -4.623 4.159 1.071 1.00 0.00 H new ATOM 0 HB2 MET A 138 -3.454 1.380 1.012 1.00 0.00 H new ATOM 0 HB3 MET A 138 -4.987 1.676 0.216 1.00 0.00 H new ATOM 0 HG2 MET A 138 -3.606 3.737 -0.826 1.00 0.00 H new ATOM 0 HG3 MET A 138 -2.255 2.674 -0.483 1.00 0.00 H new ATOM 0 HE1 MET A 138 -3.256 2.462 -4.414 1.00 0.00 H new ATOM 0 HE2 MET A 138 -3.558 3.842 -3.331 1.00 0.00 H new ATOM 0 HE3 MET A 138 -1.986 3.009 -3.294 1.00 0.00 H new ATOM 1152 N SER A 139 -6.746 2.633 1.701 1.00 0.00 N ATOM 1153 CA SER A 139 -7.988 2.235 2.354 1.00 0.00 C ATOM 1154 C SER A 139 -8.936 1.572 1.360 1.00 0.00 C ATOM 1155 O SER A 139 -8.954 1.915 0.177 1.00 0.00 O ATOM 1156 CB SER A 139 -8.666 3.451 2.991 1.00 0.00 C ATOM 1157 OG SER A 139 -9.735 3.055 3.833 1.00 0.00 O ATOM 0 H SER A 139 -6.823 2.764 0.692 1.00 0.00 H new ATOM 0 HA SER A 139 -7.745 1.513 3.134 1.00 0.00 H new ATOM 0 HB2 SER A 139 -7.935 4.018 3.568 1.00 0.00 H new ATOM 0 HB3 SER A 139 -9.040 4.114 2.210 1.00 0.00 H new ATOM 0 HG SER A 139 -10.151 3.849 4.229 1.00 0.00 H new ATOM 1163 N HIS A 140 -9.725 0.620 1.849 1.00 0.00 N ATOM 1164 CA HIS A 140 -10.677 -0.092 1.004 1.00 0.00 C ATOM 1165 C HIS A 140 -12.064 0.536 1.100 1.00 0.00 C ATOM 1166 O HIS A 140 -12.807 0.577 0.120 1.00 0.00 O ATOM 1167 CB HIS A 140 -10.743 -1.566 1.404 1.00 0.00 C ATOM 1168 CG HIS A 140 -11.239 -1.786 2.801 1.00 0.00 C ATOM 1169 ND1 HIS A 140 -10.480 -1.517 3.920 1.00 0.00 N ATOM 1170 CD2 HIS A 140 -12.426 -2.250 3.256 1.00 0.00 C ATOM 1171 CE1 HIS A 140 -11.178 -1.808 5.003 1.00 0.00 C ATOM 1172 NE2 HIS A 140 -12.363 -2.255 4.627 1.00 0.00 N ATOM 0 H HIS A 140 -9.724 0.324 2.825 1.00 0.00 H new ATOM 0 HA HIS A 140 -10.335 -0.018 -0.028 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -11.395 -2.094 0.708 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -9.750 -2.005 1.306 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -13.267 -2.559 2.652 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -10.838 -1.699 6.022 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -13.110 -2.555 5.254 1.00 0.00 H new