USER MOD reduce.3.24.130724 H: found=0, std=0, add=413, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 415 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 Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 178:sc= 1.07 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 40:sc= 0.167 USER MOD Single : A 20 GLN : amide:sc= -0.1 X(o=-0.1,f=-0.17) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -53:sc= 0.955 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.115 USER MOD Single : A 51 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0383) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 81 N GLU A 9 4.295 7.356 2.838 1.00 0.00 N ATOM 82 CA GLU A 9 5.339 6.461 2.354 1.00 0.00 C ATOM 83 C GLU A 9 4.814 5.568 1.234 1.00 0.00 C ATOM 84 O GLU A 9 4.049 4.634 1.476 1.00 0.00 O ATOM 85 CB GLU A 9 5.875 5.599 3.499 1.00 0.00 C ATOM 86 CG GLU A 9 6.783 6.353 4.456 1.00 0.00 C ATOM 87 CD GLU A 9 8.164 6.596 3.880 1.00 0.00 C ATOM 88 OE1 GLU A 9 8.288 6.659 2.639 1.00 0.00 O ATOM 89 OE2 GLU A 9 9.122 6.722 4.672 1.00 0.00 O ATOM 0 HA GLU A 9 6.150 7.072 1.958 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.034 5.188 4.057 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.423 4.755 3.081 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.325 7.310 4.708 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.875 5.789 5.384 1.00 0.00 H new ATOM 96 N LYS A 10 5.228 5.864 0.006 1.00 0.00 N ATOM 97 CA LYS A 10 4.801 5.089 -1.153 1.00 0.00 C ATOM 98 C LYS A 10 5.550 3.763 -1.227 1.00 0.00 C ATOM 99 O LYS A 10 6.759 3.733 -1.456 1.00 0.00 O ATOM 100 CB LYS A 10 5.028 5.889 -2.438 1.00 0.00 C ATOM 101 CG LYS A 10 3.887 6.831 -2.779 1.00 0.00 C ATOM 102 CD LYS A 10 4.311 7.874 -3.799 1.00 0.00 C ATOM 103 CE LYS A 10 4.244 7.327 -5.216 1.00 0.00 C ATOM 104 NZ LYS A 10 4.915 8.230 -6.192 1.00 0.00 N ATOM 0 H LYS A 10 5.859 6.635 -0.212 1.00 0.00 H new ATOM 0 HA LYS A 10 3.737 4.878 -1.047 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.947 6.467 -2.339 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.175 5.196 -3.266 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.046 6.259 -3.171 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.540 7.327 -1.873 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.667 8.749 -3.715 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.327 8.204 -3.583 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.714 6.344 -5.248 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.201 7.192 -5.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.847 7.822 -7.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.451 9.161 -6.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.916 8.339 -5.932 1.00 0.00 H new ATOM 118 N TYR A 11 4.824 2.667 -1.033 1.00 0.00 N ATOM 119 CA TYR A 11 5.420 1.337 -1.077 1.00 0.00 C ATOM 120 C TYR A 11 5.144 0.661 -2.417 1.00 0.00 C ATOM 121 O TYR A 11 4.397 1.181 -3.246 1.00 0.00 O ATOM 122 CB TYR A 11 4.879 0.475 0.064 1.00 0.00 C ATOM 123 CG TYR A 11 5.685 0.584 1.340 1.00 0.00 C ATOM 124 CD1 TYR A 11 5.772 1.789 2.028 1.00 0.00 C ATOM 125 CD2 TYR A 11 6.359 -0.515 1.855 1.00 0.00 C ATOM 126 CE1 TYR A 11 6.507 1.893 3.193 1.00 0.00 C ATOM 127 CE2 TYR A 11 7.094 -0.420 3.021 1.00 0.00 C ATOM 128 CZ TYR A 11 7.166 0.786 3.685 1.00 0.00 C ATOM 129 OH TYR A 11 7.898 0.885 4.846 1.00 0.00 O ATOM 0 H TYR A 11 3.822 2.674 -0.844 1.00 0.00 H new ATOM 0 HA TYR A 11 6.498 1.445 -0.961 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.848 0.764 0.269 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.860 -0.567 -0.256 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.257 2.658 1.646 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.308 -1.460 1.335 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.565 2.836 3.716 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.609 -1.286 3.410 1.00 0.00 H new ATOM 0 HH TYR A 11 8.298 0.015 5.056 1.00 0.00 H new ATOM 139 N VAL A 12 5.752 -0.504 -2.619 1.00 0.00 N ATOM 140 CA VAL A 12 5.570 -1.255 -3.856 1.00 0.00 C ATOM 141 C VAL A 12 5.069 -2.666 -3.574 1.00 0.00 C ATOM 142 O VAL A 12 5.547 -3.337 -2.659 1.00 0.00 O ATOM 143 CB VAL A 12 6.883 -1.339 -4.659 1.00 0.00 C ATOM 144 CG1 VAL A 12 6.733 -2.300 -5.829 1.00 0.00 C ATOM 145 CG2 VAL A 12 7.302 0.041 -5.141 1.00 0.00 C ATOM 0 H VAL A 12 6.374 -0.948 -1.943 1.00 0.00 H new ATOM 0 HA VAL A 12 4.825 -0.720 -4.445 1.00 0.00 H new ATOM 0 HB VAL A 12 7.665 -1.722 -4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.670 -2.346 -6.384 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.484 -3.293 -5.455 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.938 -1.950 -6.487 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.231 -0.037 -5.706 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.522 0.455 -5.780 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.454 0.696 -4.283 1.00 0.00 H new ATOM 155 N THR A 13 4.099 -3.114 -4.366 1.00 0.00 N ATOM 156 CA THR A 13 3.531 -4.446 -4.201 1.00 0.00 C ATOM 157 C THR A 13 4.287 -5.473 -5.036 1.00 0.00 C ATOM 158 O THR A 13 4.315 -5.393 -6.263 1.00 0.00 O ATOM 159 CB THR A 13 2.042 -4.475 -4.599 1.00 0.00 C ATOM 160 OG1 THR A 13 1.907 -4.261 -6.008 1.00 0.00 O ATOM 161 CG2 THR A 13 1.260 -3.412 -3.841 1.00 0.00 C ATOM 0 H THR A 13 3.691 -2.573 -5.128 1.00 0.00 H new ATOM 0 HA THR A 13 3.623 -4.700 -3.145 1.00 0.00 H new ATOM 0 HB THR A 13 1.638 -5.454 -4.341 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.961 -4.311 -6.257 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.212 -3.451 -4.138 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.341 -3.596 -2.770 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.666 -2.427 -4.072 1.00 0.00 H new ATOM 169 N VAL A 14 4.901 -6.440 -4.360 1.00 0.00 N ATOM 170 CA VAL A 14 5.657 -7.486 -5.040 1.00 0.00 C ATOM 171 C VAL A 14 4.755 -8.651 -5.430 1.00 0.00 C ATOM 172 O VAL A 14 5.170 -9.554 -6.156 1.00 0.00 O ATOM 173 CB VAL A 14 6.804 -8.013 -4.157 1.00 0.00 C ATOM 174 CG1 VAL A 14 7.881 -6.951 -3.991 1.00 0.00 C ATOM 175 CG2 VAL A 14 6.273 -8.460 -2.804 1.00 0.00 C ATOM 0 H VAL A 14 4.890 -6.521 -3.343 1.00 0.00 H new ATOM 0 HA VAL A 14 6.077 -7.038 -5.941 1.00 0.00 H new ATOM 0 HB VAL A 14 7.251 -8.877 -4.650 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.683 -7.341 -3.364 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.282 -6.683 -4.969 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.451 -6.067 -3.521 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.097 -8.829 -2.194 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.799 -7.616 -2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.541 -9.255 -2.945 1.00 0.00 H new ATOM 185 N GLN A 15 3.518 -8.623 -4.944 1.00 0.00 N ATOM 186 CA GLN A 15 2.556 -9.678 -5.243 1.00 0.00 C ATOM 187 C GLN A 15 1.132 -9.134 -5.236 1.00 0.00 C ATOM 188 O GLN A 15 0.780 -8.258 -4.444 1.00 0.00 O ATOM 189 CB GLN A 15 2.686 -10.817 -4.229 1.00 0.00 C ATOM 190 CG GLN A 15 4.102 -11.349 -4.089 1.00 0.00 C ATOM 191 CD GLN A 15 4.188 -12.544 -3.161 1.00 0.00 C ATOM 192 OE1 GLN A 15 4.718 -12.448 -2.053 1.00 0.00 O ATOM 193 NE2 GLN A 15 3.666 -13.680 -3.607 1.00 0.00 N ATOM 0 H GLN A 15 3.158 -7.882 -4.342 1.00 0.00 H new ATOM 0 HA GLN A 15 2.773 -10.062 -6.240 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.341 -10.467 -3.256 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.028 -11.634 -4.526 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.479 -11.630 -5.072 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.749 -10.556 -3.714 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.236 -13.716 -4.531 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.695 -14.517 -3.025 1.00 0.00 H new ATOM 202 N PRO A 16 0.292 -9.663 -6.137 1.00 0.00 N ATOM 203 CA PRO A 16 -1.109 -9.245 -6.254 1.00 0.00 C ATOM 204 C PRO A 16 -1.949 -9.693 -5.063 1.00 0.00 C ATOM 205 O PRO A 16 -1.660 -10.712 -4.436 1.00 0.00 O ATOM 206 CB PRO A 16 -1.581 -9.941 -7.534 1.00 0.00 C ATOM 207 CG PRO A 16 -0.689 -11.126 -7.671 1.00 0.00 C ATOM 208 CD PRO A 16 0.643 -10.709 -7.111 1.00 0.00 C ATOM 0 HA PRO A 16 -1.210 -8.160 -6.280 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.627 -10.239 -7.460 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.498 -9.281 -8.397 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.090 -11.981 -7.127 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.597 -11.426 -8.715 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.158 -11.544 -6.636 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.304 -10.328 -7.889 1.00 0.00 H new ATOM 216 N TYR A 17 -2.989 -8.926 -4.758 1.00 0.00 N ATOM 217 CA TYR A 17 -3.871 -9.243 -3.640 1.00 0.00 C ATOM 218 C TYR A 17 -5.336 -9.139 -4.055 1.00 0.00 C ATOM 219 O TYR A 17 -5.728 -8.217 -4.771 1.00 0.00 O ATOM 220 CB TYR A 17 -3.595 -8.305 -2.464 1.00 0.00 C ATOM 221 CG TYR A 17 -4.274 -8.728 -1.181 1.00 0.00 C ATOM 222 CD1 TYR A 17 -3.688 -9.663 -0.336 1.00 0.00 C ATOM 223 CD2 TYR A 17 -5.502 -8.191 -0.812 1.00 0.00 C ATOM 224 CE1 TYR A 17 -4.305 -10.051 0.836 1.00 0.00 C ATOM 225 CE2 TYR A 17 -6.125 -8.573 0.360 1.00 0.00 C ATOM 226 CZ TYR A 17 -5.524 -9.504 1.180 1.00 0.00 C ATOM 227 OH TYR A 17 -6.142 -9.888 2.349 1.00 0.00 O ATOM 0 H TYR A 17 -3.243 -8.080 -5.269 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.671 -10.269 -3.332 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.519 -8.253 -2.296 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -3.926 -7.300 -2.726 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.734 -10.093 -0.601 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.977 -7.463 -1.453 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.836 -10.779 1.481 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.078 -8.145 0.633 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.991 -9.408 2.443 1.00 0.00 H new ATOM 237 N THR A 18 -6.142 -10.094 -3.601 1.00 0.00 N ATOM 238 CA THR A 18 -7.563 -10.113 -3.924 1.00 0.00 C ATOM 239 C THR A 18 -8.405 -9.693 -2.724 1.00 0.00 C ATOM 240 O THR A 18 -8.415 -10.370 -1.695 1.00 0.00 O ATOM 241 CB THR A 18 -8.014 -11.509 -4.391 1.00 0.00 C ATOM 242 OG1 THR A 18 -7.217 -11.935 -5.501 1.00 0.00 O ATOM 243 CG2 THR A 18 -9.482 -11.498 -4.788 1.00 0.00 C ATOM 0 H THR A 18 -5.834 -10.865 -3.008 1.00 0.00 H new ATOM 0 HA THR A 18 -7.713 -9.401 -4.736 1.00 0.00 H new ATOM 0 HB THR A 18 -7.883 -12.205 -3.563 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.509 -12.824 -5.791 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.778 -12.495 -5.114 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.088 -11.201 -3.932 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.633 -10.790 -5.603 1.00 0.00 H new ATOM 251 N SER A 19 -9.110 -8.577 -2.863 1.00 0.00 N ATOM 252 CA SER A 19 -9.953 -8.066 -1.788 1.00 0.00 C ATOM 253 C SER A 19 -11.247 -8.868 -1.686 1.00 0.00 C ATOM 254 O SER A 19 -12.034 -8.919 -2.630 1.00 0.00 O ATOM 255 CB SER A 19 -10.274 -6.588 -2.021 1.00 0.00 C ATOM 256 OG SER A 19 -10.764 -6.372 -3.333 1.00 0.00 O ATOM 0 H SER A 19 -9.115 -8.008 -3.710 1.00 0.00 H new ATOM 0 HA SER A 19 -9.406 -8.168 -0.851 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.014 -6.255 -1.294 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.378 -5.989 -1.861 1.00 0.00 H new ATOM 0 HG SER A 19 -11.364 -7.105 -3.583 1.00 0.00 H new ATOM 262 N GLN A 20 -11.459 -9.492 -0.531 1.00 0.00 N ATOM 263 CA GLN A 20 -12.656 -10.293 -0.304 1.00 0.00 C ATOM 264 C GLN A 20 -13.823 -9.414 0.135 1.00 0.00 C ATOM 265 O GLN A 20 -14.982 -9.712 -0.155 1.00 0.00 O ATOM 266 CB GLN A 20 -12.386 -11.366 0.750 1.00 0.00 C ATOM 267 CG GLN A 20 -11.289 -12.342 0.357 1.00 0.00 C ATOM 268 CD GLN A 20 -11.556 -13.017 -0.974 1.00 0.00 C ATOM 269 OE1 GLN A 20 -12.674 -13.457 -1.246 1.00 0.00 O ATOM 270 NE2 GLN A 20 -10.530 -13.101 -1.812 1.00 0.00 N ATOM 0 H GLN A 20 -10.818 -9.458 0.261 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.922 -10.777 -1.244 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.112 -10.882 1.687 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.306 -11.921 0.935 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.338 -11.812 0.307 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.190 -13.102 1.132 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.621 -12.723 -1.545 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -10.650 -13.544 -2.723 1.00 0.00 H new ATOM 279 N SER A 21 -13.510 -8.330 0.836 1.00 0.00 N ATOM 280 CA SER A 21 -14.533 -7.410 1.320 1.00 0.00 C ATOM 281 C SER A 21 -14.040 -5.966 1.255 1.00 0.00 C ATOM 282 O SER A 21 -12.838 -5.711 1.192 1.00 0.00 O ATOM 283 CB SER A 21 -14.928 -7.761 2.755 1.00 0.00 C ATOM 284 OG SER A 21 -15.715 -8.939 2.793 1.00 0.00 O ATOM 0 H SER A 21 -12.556 -8.067 1.082 1.00 0.00 H new ATOM 0 HA SER A 21 -15.407 -7.507 0.676 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.031 -7.899 3.359 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.484 -6.934 3.195 1.00 0.00 H new ATOM 0 HG SER A 21 -15.953 -9.143 3.721 1.00 0.00 H new ATOM 290 N LYS A 22 -14.979 -5.026 1.270 1.00 0.00 N ATOM 291 CA LYS A 22 -14.644 -3.609 1.214 1.00 0.00 C ATOM 292 C LYS A 22 -13.521 -3.277 2.191 1.00 0.00 C ATOM 293 O LYS A 22 -12.609 -2.514 1.868 1.00 0.00 O ATOM 294 CB LYS A 22 -15.877 -2.759 1.530 1.00 0.00 C ATOM 295 CG LYS A 22 -15.613 -1.264 1.488 1.00 0.00 C ATOM 296 CD LYS A 22 -16.758 -0.478 2.104 1.00 0.00 C ATOM 297 CE LYS A 22 -16.610 1.014 1.848 1.00 0.00 C ATOM 298 NZ LYS A 22 -15.643 1.645 2.788 1.00 0.00 N ATOM 0 H LYS A 22 -15.979 -5.221 1.321 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.303 -3.382 0.204 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.666 -3.000 0.818 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.248 -3.026 2.519 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -14.689 -1.042 2.022 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -15.468 -0.948 0.455 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.704 -0.827 1.691 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -16.791 -0.663 3.178 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -16.277 1.175 0.823 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -17.582 1.498 1.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -15.570 2.662 2.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.973 1.514 3.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.709 1.201 2.675 1.00 0.00 H new ATOM 312 N ASP A 23 -13.592 -3.854 3.385 1.00 0.00 N ATOM 313 CA ASP A 23 -12.579 -3.620 4.408 1.00 0.00 C ATOM 314 C ASP A 23 -11.177 -3.794 3.835 1.00 0.00 C ATOM 315 O ASP A 23 -10.247 -3.085 4.217 1.00 0.00 O ATOM 316 CB ASP A 23 -12.784 -4.575 5.585 1.00 0.00 C ATOM 317 CG ASP A 23 -14.248 -4.879 5.837 1.00 0.00 C ATOM 318 OD1 ASP A 23 -14.900 -4.097 6.559 1.00 0.00 O ATOM 319 OD2 ASP A 23 -14.741 -5.899 5.311 1.00 0.00 O ATOM 0 H ASP A 23 -14.340 -4.487 3.669 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.683 -2.593 4.759 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.251 -5.506 5.391 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.347 -4.139 6.483 1.00 0.00 H new ATOM 324 N GLU A 24 -11.032 -4.745 2.917 1.00 0.00 N ATOM 325 CA GLU A 24 -9.742 -5.013 2.292 1.00 0.00 C ATOM 326 C GLU A 24 -9.720 -4.510 0.851 1.00 0.00 C ATOM 327 O GLU A 24 -10.731 -4.557 0.151 1.00 0.00 O ATOM 328 CB GLU A 24 -9.437 -6.512 2.325 1.00 0.00 C ATOM 329 CG GLU A 24 -9.429 -7.102 3.725 1.00 0.00 C ATOM 330 CD GLU A 24 -9.749 -8.584 3.736 1.00 0.00 C ATOM 331 OE1 GLU A 24 -9.480 -9.257 2.718 1.00 0.00 O ATOM 332 OE2 GLU A 24 -10.266 -9.071 4.762 1.00 0.00 O ATOM 0 H GLU A 24 -11.792 -5.342 2.590 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.976 -4.481 2.856 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.178 -7.038 1.723 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.466 -6.687 1.861 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.450 -6.942 4.177 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.155 -6.573 4.342 1.00 0.00 H new ATOM 339 N ILE A 25 -8.560 -4.028 0.418 1.00 0.00 N ATOM 340 CA ILE A 25 -8.405 -3.515 -0.938 1.00 0.00 C ATOM 341 C ILE A 25 -7.586 -4.473 -1.797 1.00 0.00 C ATOM 342 O ILE A 25 -6.652 -5.112 -1.315 1.00 0.00 O ATOM 343 CB ILE A 25 -7.730 -2.132 -0.944 1.00 0.00 C ATOM 344 CG1 ILE A 25 -7.937 -1.445 -2.295 1.00 0.00 C ATOM 345 CG2 ILE A 25 -6.246 -2.266 -0.633 1.00 0.00 C ATOM 346 CD1 ILE A 25 -7.620 0.035 -2.276 1.00 0.00 C ATOM 0 H ILE A 25 -7.714 -3.982 0.986 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.407 -3.421 -1.356 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.189 -1.516 -0.171 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.310 -1.933 -3.041 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.972 -1.583 -2.609 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.782 -1.280 -0.641 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.120 -2.719 0.351 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.772 -2.896 -1.386 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.789 0.456 -3.267 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.265 0.536 -1.554 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.577 0.180 -1.993 1.00 0.00 H new ATOM 358 N GLY A 26 -7.942 -4.565 -3.075 1.00 0.00 N ATOM 359 CA GLY A 26 -7.227 -5.446 -3.981 1.00 0.00 C ATOM 360 C GLY A 26 -6.368 -4.684 -4.971 1.00 0.00 C ATOM 361 O GLY A 26 -6.830 -3.739 -5.609 1.00 0.00 O ATOM 0 H GLY A 26 -8.711 -4.046 -3.499 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.597 -6.123 -3.404 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.943 -6.062 -4.525 1.00 0.00 H new ATOM 365 N PHE A 27 -5.109 -5.096 -5.099 1.00 0.00 N ATOM 366 CA PHE A 27 -4.181 -4.444 -6.015 1.00 0.00 C ATOM 367 C PHE A 27 -3.403 -5.477 -6.826 1.00 0.00 C ATOM 368 O PHE A 27 -3.468 -6.674 -6.549 1.00 0.00 O ATOM 369 CB PHE A 27 -3.211 -3.550 -5.242 1.00 0.00 C ATOM 370 CG PHE A 27 -2.721 -4.163 -3.961 1.00 0.00 C ATOM 371 CD1 PHE A 27 -1.927 -5.298 -3.981 1.00 0.00 C ATOM 372 CD2 PHE A 27 -3.056 -3.605 -2.737 1.00 0.00 C ATOM 373 CE1 PHE A 27 -1.473 -5.865 -2.805 1.00 0.00 C ATOM 374 CE2 PHE A 27 -2.605 -4.168 -1.558 1.00 0.00 C ATOM 375 CZ PHE A 27 -1.814 -5.300 -1.591 1.00 0.00 C ATOM 0 H PHE A 27 -4.710 -5.878 -4.580 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.760 -3.828 -6.703 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.355 -3.322 -5.877 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.702 -2.603 -5.018 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.659 -5.745 -4.927 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.676 -2.721 -2.704 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.853 -6.748 -2.835 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.871 -3.723 -0.611 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.463 -5.742 -0.670 1.00 0.00 H new ATOM 385 N GLU A 28 -2.669 -5.003 -7.827 1.00 0.00 N ATOM 386 CA GLU A 28 -1.880 -5.885 -8.679 1.00 0.00 C ATOM 387 C GLU A 28 -0.400 -5.809 -8.316 1.00 0.00 C ATOM 388 O GLU A 28 -0.003 -5.055 -7.427 1.00 0.00 O ATOM 389 CB GLU A 28 -2.075 -5.518 -10.151 1.00 0.00 C ATOM 390 CG GLU A 28 -1.539 -4.143 -10.512 1.00 0.00 C ATOM 391 CD GLU A 28 -1.579 -3.874 -12.003 1.00 0.00 C ATOM 392 OE1 GLU A 28 -0.605 -4.231 -12.698 1.00 0.00 O ATOM 393 OE2 GLU A 28 -2.587 -3.307 -12.476 1.00 0.00 O ATOM 0 H GLU A 28 -2.604 -4.014 -8.068 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.224 -6.907 -8.519 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.581 -6.266 -10.772 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.138 -5.558 -10.389 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.123 -3.382 -9.994 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.512 -4.053 -10.158 1.00 0.00 H new ATOM 400 N LYS A 29 0.415 -6.597 -9.011 1.00 0.00 N ATOM 401 CA LYS A 29 1.852 -6.620 -8.765 1.00 0.00 C ATOM 402 C LYS A 29 2.582 -5.677 -9.715 1.00 0.00 C ATOM 403 O LYS A 29 2.473 -5.800 -10.934 1.00 0.00 O ATOM 404 CB LYS A 29 2.395 -8.042 -8.924 1.00 0.00 C ATOM 405 CG LYS A 29 3.864 -8.093 -9.304 1.00 0.00 C ATOM 406 CD LYS A 29 4.333 -9.521 -9.528 1.00 0.00 C ATOM 407 CE LYS A 29 5.789 -9.567 -9.964 1.00 0.00 C ATOM 408 NZ LYS A 29 6.275 -10.966 -10.129 1.00 0.00 N ATOM 0 H LYS A 29 0.104 -7.228 -9.749 1.00 0.00 H new ATOM 0 HA LYS A 29 2.025 -6.283 -7.743 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.251 -8.583 -7.989 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.813 -8.561 -9.686 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.027 -7.509 -10.210 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.461 -7.632 -8.517 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.209 -10.094 -8.609 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.710 -9.995 -10.286 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.903 -9.029 -10.905 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.405 -9.053 -9.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.271 -10.955 -10.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.190 -11.472 -9.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.703 -11.449 -10.851 1.00 0.00 H new ATOM 422 N GLY A 30 3.328 -4.734 -9.148 1.00 0.00 N ATOM 423 CA GLY A 30 4.067 -3.784 -9.960 1.00 0.00 C ATOM 424 C GLY A 30 3.442 -2.403 -9.949 1.00 0.00 C ATOM 425 O GLY A 30 3.458 -1.698 -10.958 1.00 0.00 O ATOM 0 H GLY A 30 3.434 -4.611 -8.141 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.092 -3.719 -9.595 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.117 -4.149 -10.986 1.00 0.00 H new ATOM 429 N VAL A 31 2.887 -2.015 -8.805 1.00 0.00 N ATOM 430 CA VAL A 31 2.252 -0.709 -8.668 1.00 0.00 C ATOM 431 C VAL A 31 2.716 -0.004 -7.398 1.00 0.00 C ATOM 432 O VAL A 31 3.437 -0.579 -6.583 1.00 0.00 O ATOM 433 CB VAL A 31 0.717 -0.832 -8.642 1.00 0.00 C ATOM 434 CG1 VAL A 31 0.191 -1.248 -10.007 1.00 0.00 C ATOM 435 CG2 VAL A 31 0.279 -1.817 -7.569 1.00 0.00 C ATOM 0 H VAL A 31 2.864 -2.586 -7.960 1.00 0.00 H new ATOM 0 HA VAL A 31 2.547 -0.120 -9.536 1.00 0.00 H new ATOM 0 HB VAL A 31 0.296 0.144 -8.400 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.895 -1.330 -9.969 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.473 -0.501 -10.749 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.618 -2.212 -10.283 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.808 -1.891 -7.565 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.709 -2.797 -7.777 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.622 -1.470 -6.594 1.00 0.00 H new ATOM 445 N THR A 32 2.297 1.248 -7.236 1.00 0.00 N ATOM 446 CA THR A 32 2.670 2.032 -6.066 1.00 0.00 C ATOM 447 C THR A 32 1.474 2.252 -5.147 1.00 0.00 C ATOM 448 O THR A 32 0.384 2.602 -5.601 1.00 0.00 O ATOM 449 CB THR A 32 3.249 3.401 -6.471 1.00 0.00 C ATOM 450 OG1 THR A 32 4.453 3.220 -7.224 1.00 0.00 O ATOM 451 CG2 THR A 32 3.538 4.251 -5.242 1.00 0.00 C ATOM 0 H THR A 32 1.699 1.740 -7.901 1.00 0.00 H new ATOM 0 HA THR A 32 3.433 1.464 -5.534 1.00 0.00 H new ATOM 0 HB THR A 32 2.510 3.916 -7.085 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.814 4.095 -7.479 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.946 5.213 -5.553 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.615 4.411 -4.685 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.260 3.738 -4.607 1.00 0.00 H new ATOM 459 N VAL A 33 1.683 2.044 -3.851 1.00 0.00 N ATOM 460 CA VAL A 33 0.622 2.220 -2.867 1.00 0.00 C ATOM 461 C VAL A 33 1.034 3.215 -1.788 1.00 0.00 C ATOM 462 O VAL A 33 2.187 3.240 -1.361 1.00 0.00 O ATOM 463 CB VAL A 33 0.247 0.884 -2.201 1.00 0.00 C ATOM 464 CG1 VAL A 33 -0.362 -0.069 -3.219 1.00 0.00 C ATOM 465 CG2 VAL A 33 1.464 0.259 -1.535 1.00 0.00 C ATOM 0 H VAL A 33 2.578 1.753 -3.458 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.245 2.606 -3.402 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.499 1.080 -1.431 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.621 -1.008 -2.729 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.261 0.378 -3.644 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.358 -0.261 -4.014 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.180 -0.685 -1.070 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.235 0.076 -2.284 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.851 0.937 -0.774 1.00 0.00 H new ATOM 475 N GLU A 34 0.081 4.033 -1.351 1.00 0.00 N ATOM 476 CA GLU A 34 0.345 5.031 -0.321 1.00 0.00 C ATOM 477 C GLU A 34 -0.123 4.540 1.046 1.00 0.00 C ATOM 478 O GLU A 34 -1.320 4.369 1.279 1.00 0.00 O ATOM 479 CB GLU A 34 -0.350 6.350 -0.667 1.00 0.00 C ATOM 480 CG GLU A 34 0.275 7.075 -1.847 1.00 0.00 C ATOM 481 CD GLU A 34 0.015 6.374 -3.166 1.00 0.00 C ATOM 482 OE1 GLU A 34 -1.130 6.442 -3.660 1.00 0.00 O ATOM 483 OE2 GLU A 34 0.958 5.757 -3.705 1.00 0.00 O ATOM 0 H GLU A 34 -0.880 4.024 -1.694 1.00 0.00 H new ATOM 0 HA GLU A 34 1.422 5.196 -0.279 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.399 6.152 -0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.325 7.004 0.205 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.119 8.090 -1.895 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.350 7.158 -1.690 1.00 0.00 H new ATOM 490 N VAL A 35 0.829 4.315 1.945 1.00 0.00 N ATOM 491 CA VAL A 35 0.514 3.844 3.290 1.00 0.00 C ATOM 492 C VAL A 35 0.051 4.991 4.180 1.00 0.00 C ATOM 493 O VAL A 35 0.820 5.904 4.484 1.00 0.00 O ATOM 494 CB VAL A 35 1.730 3.160 3.943 1.00 0.00 C ATOM 495 CG1 VAL A 35 1.388 2.692 5.349 1.00 0.00 C ATOM 496 CG2 VAL A 35 2.211 1.999 3.087 1.00 0.00 C ATOM 0 H VAL A 35 1.824 4.451 1.768 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.293 3.118 3.191 1.00 0.00 H new ATOM 0 HB VAL A 35 2.539 3.887 4.015 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.259 2.211 5.794 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.096 3.549 5.957 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.564 1.980 5.305 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.071 1.527 3.563 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.409 1.269 2.981 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.499 2.368 2.102 1.00 0.00 H new ATOM 506 N ILE A 36 -1.210 4.940 4.594 1.00 0.00 N ATOM 507 CA ILE A 36 -1.775 5.974 5.452 1.00 0.00 C ATOM 508 C ILE A 36 -1.450 5.712 6.917 1.00 0.00 C ATOM 509 O ILE A 36 -0.793 6.521 7.573 1.00 0.00 O ATOM 510 CB ILE A 36 -3.304 6.070 5.286 1.00 0.00 C ATOM 511 CG1 ILE A 36 -3.667 6.277 3.814 1.00 0.00 C ATOM 512 CG2 ILE A 36 -3.860 7.200 6.139 1.00 0.00 C ATOM 513 CD1 ILE A 36 -5.043 5.765 3.453 1.00 0.00 C ATOM 0 H ILE A 36 -1.860 4.193 4.349 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.324 6.918 5.146 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.751 5.134 5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.611 7.340 3.581 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.927 5.775 3.192 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.941 7.255 6.011 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.628 7.012 7.187 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.410 8.144 5.831 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.232 5.945 2.395 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.098 4.695 3.654 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.793 6.285 4.049 1.00 0.00 H new ATOM 525 N ARG A 37 -1.912 4.574 7.427 1.00 0.00 N ATOM 526 CA ARG A 37 -1.670 4.205 8.815 1.00 0.00 C ATOM 527 C ARG A 37 -0.796 2.957 8.901 1.00 0.00 C ATOM 528 O ARG A 37 -0.561 2.280 7.901 1.00 0.00 O ATOM 529 CB ARG A 37 -2.995 3.963 9.540 1.00 0.00 C ATOM 530 CG ARG A 37 -3.945 5.148 9.485 1.00 0.00 C ATOM 531 CD ARG A 37 -4.854 5.078 8.268 1.00 0.00 C ATOM 532 NE ARG A 37 -6.077 4.328 8.542 1.00 0.00 N ATOM 533 CZ ARG A 37 -7.040 4.762 9.346 1.00 0.00 C ATOM 534 NH1 ARG A 37 -6.924 5.936 9.954 1.00 0.00 N ATOM 535 NH2 ARG A 37 -8.124 4.023 9.545 1.00 0.00 N ATOM 0 H ARG A 37 -2.456 3.892 6.898 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.145 5.030 9.297 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.486 3.094 9.102 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.790 3.721 10.583 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.550 5.173 10.391 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.371 6.075 9.459 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.112 6.088 7.949 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.319 4.610 7.442 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.198 3.421 8.091 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.093 6.508 9.804 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.666 6.266 10.571 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.218 3.120 9.080 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.863 4.358 10.163 1.00 0.00 H new ATOM 626 N TRP A 43 -1.219 -5.102 9.954 1.00 0.00 N ATOM 627 CA TRP A 43 -2.173 -4.438 9.074 1.00 0.00 C ATOM 628 C TRP A 43 -1.714 -3.023 8.740 1.00 0.00 C ATOM 629 O TRP A 43 -1.521 -2.197 9.631 1.00 0.00 O ATOM 630 CB TRP A 43 -3.557 -4.399 9.726 1.00 0.00 C ATOM 631 CG TRP A 43 -4.371 -5.630 9.466 1.00 0.00 C ATOM 632 CD1 TRP A 43 -4.828 -6.521 10.395 1.00 0.00 C ATOM 633 CD2 TRP A 43 -4.823 -6.105 8.194 1.00 0.00 C ATOM 634 NE1 TRP A 43 -5.537 -7.522 9.777 1.00 0.00 N ATOM 635 CE2 TRP A 43 -5.551 -7.290 8.427 1.00 0.00 C ATOM 636 CE3 TRP A 43 -4.689 -5.645 6.881 1.00 0.00 C ATOM 637 CZ2 TRP A 43 -6.136 -8.018 7.394 1.00 0.00 C ATOM 638 CZ3 TRP A 43 -5.270 -6.369 5.858 1.00 0.00 C ATOM 639 CH2 TRP A 43 -5.987 -7.544 6.119 1.00 0.00 C ATOM 0 HA TRP A 43 -2.231 -5.008 8.147 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.440 -4.270 10.802 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.100 -3.529 9.358 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.657 -6.449 11.459 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.981 -8.311 10.247 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.141 -4.739 6.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -6.688 -8.925 7.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.170 -6.023 4.840 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -6.431 -8.087 5.297 1.00 0.00 H new ATOM 650 N TRP A 44 -1.541 -2.751 7.452 1.00 0.00 N ATOM 651 CA TRP A 44 -1.105 -1.434 7.001 1.00 0.00 C ATOM 652 C TRP A 44 -2.125 -0.818 6.050 1.00 0.00 C ATOM 653 O TRP A 44 -2.258 -1.247 4.903 1.00 0.00 O ATOM 654 CB TRP A 44 0.257 -1.534 6.312 1.00 0.00 C ATOM 655 CG TRP A 44 1.409 -1.537 7.271 1.00 0.00 C ATOM 656 CD1 TRP A 44 1.444 -2.116 8.507 1.00 0.00 C ATOM 657 CD2 TRP A 44 2.691 -0.931 7.072 1.00 0.00 C ATOM 658 NE1 TRP A 44 2.671 -1.905 9.090 1.00 0.00 N ATOM 659 CE2 TRP A 44 3.455 -1.182 8.229 1.00 0.00 C ATOM 660 CE3 TRP A 44 3.268 -0.202 6.029 1.00 0.00 C ATOM 661 CZ2 TRP A 44 4.763 -0.728 8.370 1.00 0.00 C ATOM 662 CZ3 TRP A 44 4.567 0.247 6.171 1.00 0.00 C ATOM 663 CH2 TRP A 44 5.304 -0.017 7.333 1.00 0.00 C ATOM 0 H TRP A 44 -1.696 -3.424 6.701 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.016 -0.789 7.875 1.00 0.00 H new ATOM 0 HB2 TRP A 44 0.288 -2.445 5.715 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.370 -0.697 5.622 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.628 -2.660 8.960 1.00 0.00 H new ATOM 0 HE1 TRP A 44 2.952 -2.233 10.014 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.709 0.007 5.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.331 -0.930 9.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.023 0.812 5.371 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.318 0.347 7.412 1.00 0.00 H new ATOM 674 N TYR A 45 -2.845 0.189 6.533 1.00 0.00 N ATOM 675 CA TYR A 45 -3.855 0.862 5.726 1.00 0.00 C ATOM 676 C TYR A 45 -3.210 1.649 4.589 1.00 0.00 C ATOM 677 O TYR A 45 -2.471 2.606 4.824 1.00 0.00 O ATOM 678 CB TYR A 45 -4.693 1.799 6.598 1.00 0.00 C ATOM 679 CG TYR A 45 -6.103 2.000 6.088 1.00 0.00 C ATOM 680 CD1 TYR A 45 -6.941 0.917 5.857 1.00 0.00 C ATOM 681 CD2 TYR A 45 -6.597 3.275 5.841 1.00 0.00 C ATOM 682 CE1 TYR A 45 -8.228 1.096 5.392 1.00 0.00 C ATOM 683 CE2 TYR A 45 -7.884 3.464 5.377 1.00 0.00 C ATOM 684 CZ TYR A 45 -8.696 2.371 5.153 1.00 0.00 C ATOM 685 OH TYR A 45 -9.979 2.555 4.691 1.00 0.00 O ATOM 0 H TYR A 45 -2.748 0.557 7.479 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.504 0.100 5.294 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.735 1.398 7.611 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.196 2.767 6.659 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.579 -0.083 6.045 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.964 4.133 6.015 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.865 0.242 5.216 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.253 4.462 5.190 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.119 2.009 3.889 1.00 0.00 H new ATOM 695 N ILE A 46 -3.494 1.237 3.358 1.00 0.00 N ATOM 696 CA ILE A 46 -2.943 1.903 2.184 1.00 0.00 C ATOM 697 C ILE A 46 -4.051 2.382 1.253 1.00 0.00 C ATOM 698 O ILE A 46 -5.213 2.009 1.412 1.00 0.00 O ATOM 699 CB ILE A 46 -1.996 0.973 1.402 1.00 0.00 C ATOM 700 CG1 ILE A 46 -2.778 -0.193 0.795 1.00 0.00 C ATOM 701 CG2 ILE A 46 -0.888 0.460 2.309 1.00 0.00 C ATOM 702 CD1 ILE A 46 -1.994 -0.977 -0.234 1.00 0.00 C ATOM 0 H ILE A 46 -4.102 0.446 3.148 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.378 2.763 2.545 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.540 1.542 0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.088 -0.867 1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.687 0.192 0.332 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.228 -0.196 1.742 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.316 1.303 2.698 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.325 -0.095 3.139 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.611 -1.788 -0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.706 -0.317 -1.052 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.099 -1.392 0.229 1.00 0.00 H new ATOM 714 N ARG A 47 -3.683 3.209 0.281 1.00 0.00 N ATOM 715 CA ARG A 47 -4.646 3.739 -0.677 1.00 0.00 C ATOM 716 C ARG A 47 -4.224 3.416 -2.108 1.00 0.00 C ATOM 717 O ARG A 47 -3.120 3.757 -2.532 1.00 0.00 O ATOM 718 CB ARG A 47 -4.788 5.252 -0.505 1.00 0.00 C ATOM 719 CG ARG A 47 -5.638 5.910 -1.581 1.00 0.00 C ATOM 720 CD ARG A 47 -5.521 7.426 -1.533 1.00 0.00 C ATOM 721 NE ARG A 47 -5.731 8.032 -2.845 1.00 0.00 N ATOM 722 CZ ARG A 47 -5.718 9.343 -3.059 1.00 0.00 C ATOM 723 NH1 ARG A 47 -5.505 10.180 -2.054 1.00 0.00 N ATOM 724 NH2 ARG A 47 -5.916 9.818 -4.282 1.00 0.00 N ATOM 0 H ARG A 47 -2.725 3.527 0.136 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.609 3.266 -0.485 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.228 5.459 0.471 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.796 5.704 -0.510 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.327 5.551 -2.562 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.681 5.620 -1.451 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.251 7.824 -0.829 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.535 7.702 -1.160 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.897 7.415 -3.640 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.350 9.818 -1.113 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.496 11.186 -2.221 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.078 9.176 -5.058 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.906 10.825 -4.446 1.00 0.00 H new ATOM 738 N TYR A 48 -5.110 2.757 -2.845 1.00 0.00 N ATOM 739 CA TYR A 48 -4.828 2.384 -4.227 1.00 0.00 C ATOM 740 C TYR A 48 -6.044 2.630 -5.116 1.00 0.00 C ATOM 741 O TYR A 48 -7.157 2.209 -4.797 1.00 0.00 O ATOM 742 CB TYR A 48 -4.413 0.915 -4.307 1.00 0.00 C ATOM 743 CG TYR A 48 -4.409 0.363 -5.714 1.00 0.00 C ATOM 744 CD1 TYR A 48 -3.600 0.917 -6.697 1.00 0.00 C ATOM 745 CD2 TYR A 48 -5.215 -0.715 -6.061 1.00 0.00 C ATOM 746 CE1 TYR A 48 -3.595 0.416 -7.985 1.00 0.00 C ATOM 747 CE2 TYR A 48 -5.215 -1.224 -7.345 1.00 0.00 C ATOM 748 CZ TYR A 48 -4.403 -0.655 -8.304 1.00 0.00 C ATOM 749 OH TYR A 48 -4.400 -1.158 -9.585 1.00 0.00 O ATOM 0 H TYR A 48 -6.029 2.470 -2.510 1.00 0.00 H new ATOM 0 HA TYR A 48 -4.007 3.006 -4.584 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.417 0.804 -3.879 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.091 0.321 -3.694 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.964 1.754 -6.451 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.853 -1.163 -5.313 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.961 0.861 -8.738 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.847 -2.063 -7.597 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.024 -1.912 -9.642 1.00 0.00 H new ATOM 759 N LEU A 49 -5.823 3.314 -6.233 1.00 0.00 N ATOM 760 CA LEU A 49 -6.899 3.617 -7.170 1.00 0.00 C ATOM 761 C LEU A 49 -7.987 4.449 -6.500 1.00 0.00 C ATOM 762 O LEU A 49 -9.177 4.212 -6.701 1.00 0.00 O ATOM 763 CB LEU A 49 -7.499 2.323 -7.722 1.00 0.00 C ATOM 764 CG LEU A 49 -6.669 1.596 -8.782 1.00 0.00 C ATOM 765 CD1 LEU A 49 -7.274 0.236 -9.094 1.00 0.00 C ATOM 766 CD2 LEU A 49 -6.563 2.437 -10.045 1.00 0.00 C ATOM 0 H LEU A 49 -4.908 3.669 -6.512 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.479 4.197 -7.992 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.667 1.640 -6.889 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.476 2.552 -8.148 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.665 1.442 -8.387 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.670 -0.266 -9.850 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.297 -0.369 -8.187 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.289 0.367 -9.469 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.969 1.904 -10.788 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.561 2.623 -10.443 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.083 3.387 -9.810 1.00 0.00 H new ATOM 778 N GLY A 50 -7.568 5.428 -5.703 1.00 0.00 N ATOM 779 CA GLY A 50 -8.520 6.283 -5.018 1.00 0.00 C ATOM 780 C GLY A 50 -9.384 5.518 -4.035 1.00 0.00 C ATOM 781 O GLY A 50 -10.519 5.908 -3.759 1.00 0.00 O ATOM 0 H GLY A 50 -6.588 5.644 -5.520 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.982 7.069 -4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.158 6.773 -5.753 1.00 0.00 H new ATOM 785 N LYS A 51 -8.848 4.424 -3.506 1.00 0.00 N ATOM 786 CA LYS A 51 -9.577 3.600 -2.548 1.00 0.00 C ATOM 787 C LYS A 51 -8.700 3.254 -1.350 1.00 0.00 C ATOM 788 O LYS A 51 -7.564 2.808 -1.509 1.00 0.00 O ATOM 789 CB LYS A 51 -10.070 2.317 -3.220 1.00 0.00 C ATOM 790 CG LYS A 51 -11.148 1.592 -2.431 1.00 0.00 C ATOM 791 CD LYS A 51 -11.675 0.385 -3.187 1.00 0.00 C ATOM 792 CE LYS A 51 -12.828 0.763 -4.106 1.00 0.00 C ATOM 793 NZ LYS A 51 -14.090 0.988 -3.349 1.00 0.00 N ATOM 0 H LYS A 51 -7.911 4.087 -3.724 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.435 4.171 -2.194 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.458 2.561 -4.209 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.224 1.645 -3.366 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.744 1.273 -1.470 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.969 2.277 -2.220 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.870 -0.058 -3.774 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.007 -0.373 -2.478 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.570 1.666 -4.659 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.981 -0.028 -4.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.888 1.042 -4.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.243 0.201 -2.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.022 1.879 -2.817 1.00 0.00 H new ATOM 807 N GLU A 52 -9.236 3.461 -0.150 1.00 0.00 N ATOM 808 CA GLU A 52 -8.500 3.169 1.075 1.00 0.00 C ATOM 809 C GLU A 52 -9.036 1.906 1.743 1.00 0.00 C ATOM 810 O GLU A 52 -10.210 1.832 2.105 1.00 0.00 O ATOM 811 CB GLU A 52 -8.591 4.350 2.043 1.00 0.00 C ATOM 812 CG GLU A 52 -8.074 5.655 1.462 1.00 0.00 C ATOM 813 CD GLU A 52 -9.144 6.425 0.713 1.00 0.00 C ATOM 814 OE1 GLU A 52 -9.549 5.969 -0.377 1.00 0.00 O ATOM 815 OE2 GLU A 52 -9.576 7.483 1.216 1.00 0.00 O ATOM 0 H GLU A 52 -10.175 3.829 -0.001 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.455 3.004 0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.630 4.483 2.344 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.025 4.114 2.945 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.681 6.276 2.267 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.244 5.444 0.788 1.00 0.00 H new ATOM 822 N GLY A 53 -8.166 0.914 1.905 1.00 0.00 N ATOM 823 CA GLY A 53 -8.570 -0.333 2.529 1.00 0.00 C ATOM 824 C GLY A 53 -7.457 -0.959 3.345 1.00 0.00 C ATOM 825 O GLY A 53 -6.386 -0.373 3.498 1.00 0.00 O ATOM 0 H GLY A 53 -7.189 0.951 1.615 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.431 -0.152 3.173 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.890 -1.034 1.759 1.00 0.00 H new ATOM 829 N TRP A 54 -7.712 -2.151 3.872 1.00 0.00 N ATOM 830 CA TRP A 54 -6.723 -2.857 4.679 1.00 0.00 C ATOM 831 C TRP A 54 -5.963 -3.878 3.841 1.00 0.00 C ATOM 832 O TRP A 54 -6.563 -4.648 3.092 1.00 0.00 O ATOM 833 CB TRP A 54 -7.402 -3.552 5.861 1.00 0.00 C ATOM 834 CG TRP A 54 -7.626 -2.646 7.033 1.00 0.00 C ATOM 835 CD1 TRP A 54 -8.828 -2.288 7.575 1.00 0.00 C ATOM 836 CD2 TRP A 54 -6.621 -1.982 7.809 1.00 0.00 C ATOM 837 NE1 TRP A 54 -8.631 -1.442 8.639 1.00 0.00 N ATOM 838 CE2 TRP A 54 -7.286 -1.239 8.804 1.00 0.00 C ATOM 839 CE3 TRP A 54 -5.225 -1.945 7.760 1.00 0.00 C ATOM 840 CZ2 TRP A 54 -6.601 -0.469 9.739 1.00 0.00 C ATOM 841 CZ3 TRP A 54 -4.547 -1.179 8.690 1.00 0.00 C ATOM 842 CH2 TRP A 54 -5.234 -0.450 9.668 1.00 0.00 C ATOM 0 H TRP A 54 -8.595 -2.649 3.755 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.010 -2.124 5.057 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -8.360 -3.956 5.534 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -6.791 -4.398 6.176 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -9.792 -2.621 7.219 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.367 -1.031 9.213 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.686 -2.504 7.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.129 0.094 10.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.468 -1.142 8.662 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -4.675 0.139 10.380 1.00 0.00 H new ATOM 853 N ALA A 55 -4.641 -3.879 3.972 1.00 0.00 N ATOM 854 CA ALA A 55 -3.800 -4.809 3.226 1.00 0.00 C ATOM 855 C ALA A 55 -2.606 -5.258 4.061 1.00 0.00 C ATOM 856 O ALA A 55 -2.073 -4.509 4.880 1.00 0.00 O ATOM 857 CB ALA A 55 -3.329 -4.170 1.928 1.00 0.00 C ATOM 0 H ALA A 55 -4.129 -3.247 4.587 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.396 -5.690 2.988 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.703 -4.875 1.382 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.193 -3.905 1.319 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.754 -3.272 2.152 1.00 0.00 H new ATOM 863 N PRO A 56 -2.174 -6.510 3.851 1.00 0.00 N ATOM 864 CA PRO A 56 -1.038 -7.088 4.574 1.00 0.00 C ATOM 865 C PRO A 56 0.290 -6.457 4.167 1.00 0.00 C ATOM 866 O PRO A 56 0.627 -6.407 2.985 1.00 0.00 O ATOM 867 CB PRO A 56 -1.074 -8.564 4.172 1.00 0.00 C ATOM 868 CG PRO A 56 -1.760 -8.580 2.850 1.00 0.00 C ATOM 869 CD PRO A 56 -2.762 -7.459 2.890 1.00 0.00 C ATOM 0 HA PRO A 56 -1.113 -6.924 5.649 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.069 -8.980 4.101 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.615 -9.161 4.906 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.047 -8.437 2.038 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.252 -9.537 2.677 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.897 -7.005 1.908 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.742 -7.807 3.217 1.00 0.00 H new ATOM 877 N ALA A 57 1.040 -5.978 5.154 1.00 0.00 N ATOM 878 CA ALA A 57 2.331 -5.353 4.899 1.00 0.00 C ATOM 879 C ALA A 57 3.292 -6.331 4.230 1.00 0.00 C ATOM 880 O ALA A 57 4.343 -5.937 3.727 1.00 0.00 O ATOM 881 CB ALA A 57 2.930 -4.827 6.195 1.00 0.00 C ATOM 0 H ALA A 57 0.775 -6.011 6.138 1.00 0.00 H new ATOM 0 HA ALA A 57 2.172 -4.516 4.219 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.894 -4.363 5.988 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.258 -4.089 6.633 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.067 -5.652 6.894 1.00 0.00 H new ATOM 887 N SER A 58 2.922 -7.608 4.228 1.00 0.00 N ATOM 888 CA SER A 58 3.753 -8.643 3.624 1.00 0.00 C ATOM 889 C SER A 58 3.797 -8.488 2.107 1.00 0.00 C ATOM 890 O SER A 58 4.761 -8.896 1.459 1.00 0.00 O ATOM 891 CB SER A 58 3.223 -10.031 3.991 1.00 0.00 C ATOM 892 OG SER A 58 3.768 -10.476 5.221 1.00 0.00 O ATOM 0 H SER A 58 2.053 -7.950 4.638 1.00 0.00 H new ATOM 0 HA SER A 58 4.766 -8.534 4.012 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.136 -10.002 4.061 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.473 -10.740 3.201 1.00 0.00 H new ATOM 0 HG SER A 58 3.413 -11.364 5.434 1.00 0.00 H new ATOM 898 N TYR A 59 2.748 -7.896 1.549 1.00 0.00 N ATOM 899 CA TYR A 59 2.665 -7.689 0.108 1.00 0.00 C ATOM 900 C TYR A 59 3.106 -6.277 -0.266 1.00 0.00 C ATOM 901 O TYR A 59 2.769 -5.772 -1.337 1.00 0.00 O ATOM 902 CB TYR A 59 1.236 -7.936 -0.382 1.00 0.00 C ATOM 903 CG TYR A 59 0.846 -9.396 -0.398 1.00 0.00 C ATOM 904 CD1 TYR A 59 0.892 -10.160 0.761 1.00 0.00 C ATOM 905 CD2 TYR A 59 0.431 -10.012 -1.573 1.00 0.00 C ATOM 906 CE1 TYR A 59 0.537 -11.495 0.752 1.00 0.00 C ATOM 907 CE2 TYR A 59 0.072 -11.346 -1.591 1.00 0.00 C ATOM 908 CZ TYR A 59 0.127 -12.083 -0.427 1.00 0.00 C ATOM 909 OH TYR A 59 -0.227 -13.412 -0.441 1.00 0.00 O ATOM 0 H TYR A 59 1.943 -7.551 2.072 1.00 0.00 H new ATOM 0 HA TYR A 59 3.336 -8.399 -0.375 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.542 -7.390 0.257 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.130 -7.529 -1.388 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.211 -9.702 1.686 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.389 -9.438 -2.487 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.580 -12.075 1.662 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.250 -11.809 -2.512 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.492 -13.670 -1.348 1.00 0.00 H new ATOM 919 N LEU A 60 3.862 -5.645 0.625 1.00 0.00 N ATOM 920 CA LEU A 60 4.351 -4.291 0.391 1.00 0.00 C ATOM 921 C LEU A 60 5.818 -4.165 0.791 1.00 0.00 C ATOM 922 O LEU A 60 6.240 -4.697 1.818 1.00 0.00 O ATOM 923 CB LEU A 60 3.509 -3.281 1.172 1.00 0.00 C ATOM 924 CG LEU A 60 1.993 -3.428 1.042 1.00 0.00 C ATOM 925 CD1 LEU A 60 1.282 -2.569 2.075 1.00 0.00 C ATOM 926 CD2 LEU A 60 1.539 -3.061 -0.364 1.00 0.00 C ATOM 0 H LEU A 60 4.150 -6.049 1.516 1.00 0.00 H new ATOM 0 HA LEU A 60 4.265 -4.079 -0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.772 -3.358 2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.786 -2.278 0.846 1.00 0.00 H new ATOM 0 HG LEU A 60 1.732 -4.470 1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.204 -2.687 1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.582 -2.880 3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.549 -1.523 1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.457 -3.172 -0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.813 -2.028 -0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.021 -3.720 -1.086 1.00 0.00 H new ATOM 938 N LYS A 61 6.590 -3.456 -0.026 1.00 0.00 N ATOM 939 CA LYS A 61 8.009 -3.256 0.245 1.00 0.00 C ATOM 940 C LYS A 61 8.386 -1.784 0.108 1.00 0.00 C ATOM 941 O LYS A 61 7.977 -1.113 -0.840 1.00 0.00 O ATOM 942 CB LYS A 61 8.854 -4.101 -0.711 1.00 0.00 C ATOM 943 CG LYS A 61 8.868 -3.576 -2.137 1.00 0.00 C ATOM 944 CD LYS A 61 9.873 -4.325 -2.997 1.00 0.00 C ATOM 945 CE LYS A 61 10.120 -3.611 -4.317 1.00 0.00 C ATOM 946 NZ LYS A 61 11.121 -4.326 -5.156 1.00 0.00 N ATOM 0 H LYS A 61 6.257 -3.010 -0.881 1.00 0.00 H new ATOM 0 HA LYS A 61 8.207 -3.570 1.270 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.877 -4.142 -0.338 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.474 -5.122 -0.713 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.873 -3.673 -2.571 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.112 -2.514 -2.132 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.813 -4.425 -2.455 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.507 -5.333 -3.191 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.182 -3.526 -4.865 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.468 -2.597 -4.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.261 -3.808 -6.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 12.024 -4.385 -4.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.778 -5.285 -5.364 1.00 0.00 H new ATOM 960 N LYS A 62 9.170 -1.289 1.059 1.00 0.00 N ATOM 961 CA LYS A 62 9.606 0.102 1.044 1.00 0.00 C ATOM 962 C LYS A 62 10.435 0.400 -0.201 1.00 0.00 C ATOM 963 O LYS A 62 11.531 -0.134 -0.371 1.00 0.00 O ATOM 964 CB LYS A 62 10.423 0.416 2.300 1.00 0.00 C ATOM 965 CG LYS A 62 10.312 1.862 2.752 1.00 0.00 C ATOM 966 CD LYS A 62 11.131 2.786 1.868 1.00 0.00 C ATOM 967 CE LYS A 62 10.870 4.248 2.197 1.00 0.00 C ATOM 968 NZ LYS A 62 11.768 4.744 3.277 1.00 0.00 N ATOM 0 H LYS A 62 9.517 -1.831 1.851 1.00 0.00 H new ATOM 0 HA LYS A 62 8.718 0.734 1.028 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.094 -0.235 3.110 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.471 0.183 2.109 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.267 2.171 2.733 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.652 1.949 3.784 1.00 0.00 H new ATOM 0 HD2 LYS A 62 12.191 2.567 1.995 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.890 2.599 0.822 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.012 4.852 1.301 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.831 4.371 2.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.558 5.744 3.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.615 4.184 4.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.759 4.651 2.975 1.00 0.00 H new ATOM 982 N ALA A 63 9.905 1.256 -1.069 1.00 0.00 N ATOM 983 CA ALA A 63 10.598 1.627 -2.296 1.00 0.00 C ATOM 984 C ALA A 63 11.994 2.165 -1.998 1.00 0.00 C ATOM 985 O ALA A 63 12.995 1.601 -2.440 1.00 0.00 O ATOM 986 CB ALA A 63 9.788 2.657 -3.069 1.00 0.00 C ATOM 0 H ALA A 63 8.998 1.705 -0.945 1.00 0.00 H new ATOM 0 HA ALA A 63 10.705 0.731 -2.908 1.00 0.00 H new ATOM 0 HB1 ALA A 63 10.318 2.925 -3.983 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.814 2.238 -3.323 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.651 3.547 -2.455 1.00 0.00 H new