USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 643 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 35 HIS : no HD1:sc= 0 X(o=0.83,f=0.83) USER MOD Set 1.2: A 39 SER OG : rot 82:sc= 0.833 USER MOD Set 2.1: A 29 LYS NZ :NH3+ -140:sc= 0.987 (180deg=-0.135) USER MOD Set 2.2: A 74 CYS SG : rot -19:sc= -0.447 USER MOD Single : A 7 CYS SG : rot 137:sc= -3.4! USER MOD Single : A 8 LYS NZ :NH3+ -168:sc=-0.00322 (180deg=-0.141) USER MOD Single : A 10 MET CE :methyl 156:sc= -0.322 (180deg=-1.2) USER MOD Single : A 11 SER OG : rot -82:sc= 1.19 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 154:sc= 1.35 (180deg=0.931) USER MOD Single : A 17 GLN : amide:sc= 0.768 K(o=0.77,f=-6.2!) USER MOD Single : A 19 SER OG : rot 140:sc= -3.22! USER MOD Single : A 23 ASN : amide:sc=-0.00197 X(o=-0.002,f=-0.044) USER MOD Single : A 24 LYS NZ :NH3+ -169:sc= -0.0329 (180deg=-0.24) USER MOD Single : A 38 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.1!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.65) USER MOD Single : A 47 SER OG : rot 86:sc= 1.16 USER MOD Single : A 48 ASN : amide:sc= -0.0084 X(o=-0.0084,f=-0.39) USER MOD Single : A 58 THR OG1 : rot -13:sc= -0.0447 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0.821 (180deg=0.821) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0416 USER MOD Single : A 63 THR OG1 : rot -147:sc= 0.0274 USER MOD Single : A 70 TYR OH : rot 165:sc= 0.904 USER MOD Single : A 72 THR OG1 : rot 169:sc= -0.15 USER MOD Single : A 73 SER OG : rot -94:sc= 1.32 USER MOD Single : B 205 LYS NZ :NH3+ -165:sc= 0.113 (180deg=-0.454) USER MOD Single : B 207 THR OG1 : rot 48:sc= 0.0422 USER MOD Single : B 208 LYS NZ :NH3+ -178:sc= -1.76 (180deg=-1.83) USER MOD ----------------------------------------------------------------- ATOM 93 N CYS A 7 -15.383 -2.158 -5.174 1.00 0.00 N ATOM 94 CA CYS A 7 -15.265 -2.881 -3.915 1.00 0.00 C ATOM 95 C CYS A 7 -15.670 -2.006 -2.735 1.00 0.00 C ATOM 96 O CYS A 7 -15.590 -0.776 -2.794 1.00 0.00 O ATOM 97 CB CYS A 7 -13.826 -3.363 -3.735 1.00 0.00 C ATOM 98 SG CYS A 7 -13.634 -4.733 -2.571 1.00 0.00 S ATOM 0 HA CYS A 7 -15.939 -3.737 -3.947 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.435 -3.670 -4.705 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.216 -2.526 -3.395 1.00 0.00 H new ATOM 0 HG CYS A 7 -12.810 -5.609 -3.064 1.00 0.00 H new ATOM 104 N LYS A 8 -16.108 -2.657 -1.668 1.00 0.00 N ATOM 105 CA LYS A 8 -16.498 -1.974 -0.445 1.00 0.00 C ATOM 106 C LYS A 8 -15.266 -1.698 0.412 1.00 0.00 C ATOM 107 O LYS A 8 -14.276 -2.428 0.326 1.00 0.00 O ATOM 108 CB LYS A 8 -17.510 -2.828 0.333 1.00 0.00 C ATOM 109 CG LYS A 8 -18.947 -2.723 -0.171 1.00 0.00 C ATOM 110 CD LYS A 8 -19.056 -2.996 -1.663 1.00 0.00 C ATOM 111 CE LYS A 8 -20.502 -3.086 -2.119 1.00 0.00 C ATOM 112 NZ LYS A 8 -21.170 -4.310 -1.605 1.00 0.00 N ATOM 0 H LYS A 8 -16.203 -3.672 -1.626 1.00 0.00 H new ATOM 0 HA LYS A 8 -16.967 -1.024 -0.700 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -17.197 -3.871 0.287 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.484 -2.534 1.382 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -19.573 -3.431 0.372 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -19.333 -1.726 0.043 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -18.550 -2.204 -2.215 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -18.542 -3.928 -1.900 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -21.046 -2.205 -1.778 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -20.540 -3.082 -3.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -22.078 -4.442 -2.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -20.561 -5.136 -1.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -21.339 -4.210 -0.584 1.00 0.00 H new ATOM 126 N PRO A 9 -15.303 -0.632 1.235 1.00 0.00 N ATOM 127 CA PRO A 9 -14.180 -0.259 2.102 1.00 0.00 C ATOM 128 C PRO A 9 -13.876 -1.316 3.153 1.00 0.00 C ATOM 129 O PRO A 9 -14.771 -2.030 3.615 1.00 0.00 O ATOM 130 CB PRO A 9 -14.642 1.022 2.797 1.00 0.00 C ATOM 131 CG PRO A 9 -15.825 1.504 2.027 1.00 0.00 C ATOM 132 CD PRO A 9 -16.440 0.292 1.385 1.00 0.00 C ATOM 0 HA PRO A 9 -13.267 -0.142 1.519 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.906 0.828 3.837 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.849 1.770 2.803 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.540 2.000 2.684 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.527 2.233 1.273 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -17.226 -0.136 2.007 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -16.891 0.533 0.422 1.00 0.00 H new ATOM 140 N MET A 10 -12.611 -1.409 3.520 1.00 0.00 N ATOM 141 CA MET A 10 -12.189 -2.299 4.584 1.00 0.00 C ATOM 142 C MET A 10 -12.211 -1.566 5.919 1.00 0.00 C ATOM 143 O MET A 10 -12.177 -0.334 5.961 1.00 0.00 O ATOM 144 CB MET A 10 -10.793 -2.858 4.300 1.00 0.00 C ATOM 145 CG MET A 10 -9.725 -1.798 4.122 1.00 0.00 C ATOM 146 SD MET A 10 -8.102 -2.505 3.792 1.00 0.00 S ATOM 147 CE MET A 10 -8.453 -3.522 2.357 1.00 0.00 C ATOM 0 H MET A 10 -11.854 -0.875 3.093 1.00 0.00 H new ATOM 0 HA MET A 10 -12.885 -3.136 4.633 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.503 -3.516 5.119 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.835 -3.470 3.399 1.00 0.00 H new ATOM 0 HG2 MET A 10 -10.005 -1.139 3.300 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.674 -1.183 5.021 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.536 -3.677 1.788 1.00 0.00 H new ATOM 0 HE2 MET A 10 -8.846 -4.486 2.681 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.190 -3.022 1.729 1.00 0.00 H new ATOM 157 N SER A 11 -12.272 -2.328 6.999 1.00 0.00 N ATOM 158 CA SER A 11 -12.389 -1.765 8.339 1.00 0.00 C ATOM 159 C SER A 11 -11.095 -1.078 8.788 1.00 0.00 C ATOM 160 O SER A 11 -10.063 -1.188 8.117 1.00 0.00 O ATOM 161 CB SER A 11 -12.782 -2.859 9.335 1.00 0.00 C ATOM 162 OG SER A 11 -11.871 -3.946 9.288 1.00 0.00 O ATOM 0 H SER A 11 -12.242 -3.347 6.975 1.00 0.00 H new ATOM 0 HA SER A 11 -13.168 -1.004 8.310 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.807 -2.445 10.343 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.788 -3.214 9.111 1.00 0.00 H new ATOM 0 HG SER A 11 -12.110 -4.541 8.547 1.00 0.00 H new ATOM 168 N TYR A 12 -11.154 -0.380 9.920 1.00 0.00 N ATOM 169 CA TYR A 12 -9.990 0.332 10.453 1.00 0.00 C ATOM 170 C TYR A 12 -8.836 -0.643 10.684 1.00 0.00 C ATOM 171 O TYR A 12 -7.686 -0.353 10.341 1.00 0.00 O ATOM 172 CB TYR A 12 -10.375 1.050 11.757 1.00 0.00 C ATOM 173 CG TYR A 12 -9.307 1.965 12.321 1.00 0.00 C ATOM 174 CD1 TYR A 12 -8.158 1.453 12.909 1.00 0.00 C ATOM 175 CD2 TYR A 12 -9.464 3.343 12.285 1.00 0.00 C ATOM 176 CE1 TYR A 12 -7.195 2.287 13.444 1.00 0.00 C ATOM 177 CE2 TYR A 12 -8.506 4.183 12.813 1.00 0.00 C ATOM 178 CZ TYR A 12 -7.374 3.652 13.392 1.00 0.00 C ATOM 179 OH TYR A 12 -6.423 4.492 13.924 1.00 0.00 O ATOM 0 H TYR A 12 -11.996 -0.291 10.488 1.00 0.00 H new ATOM 0 HA TYR A 12 -9.660 1.079 9.731 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -11.277 1.635 11.580 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.624 0.300 12.508 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.014 0.383 12.949 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.351 3.765 11.836 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.308 1.872 13.900 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -8.643 5.254 12.773 1.00 0.00 H new ATOM 0 HH TYR A 12 -6.704 5.423 13.803 1.00 0.00 H new ATOM 189 N GLU A 13 -9.163 -1.811 11.230 1.00 0.00 N ATOM 190 CA GLU A 13 -8.172 -2.849 11.503 1.00 0.00 C ATOM 191 C GLU A 13 -7.417 -3.214 10.228 1.00 0.00 C ATOM 192 O GLU A 13 -6.195 -3.369 10.235 1.00 0.00 O ATOM 193 CB GLU A 13 -8.856 -4.096 12.067 1.00 0.00 C ATOM 194 CG GLU A 13 -7.885 -5.182 12.490 1.00 0.00 C ATOM 195 CD GLU A 13 -8.595 -6.417 12.989 1.00 0.00 C ATOM 196 OE1 GLU A 13 -8.917 -7.297 12.165 1.00 0.00 O ATOM 197 OE2 GLU A 13 -8.843 -6.516 14.208 1.00 0.00 O ATOM 0 H GLU A 13 -10.115 -2.064 11.494 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.464 -2.463 12.237 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.464 -3.810 12.925 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.535 -4.499 11.315 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.248 -5.447 11.646 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.232 -4.798 13.274 1.00 0.00 H new ATOM 204 N GLU A 14 -8.157 -3.315 9.133 1.00 0.00 N ATOM 205 CA GLU A 14 -7.591 -3.733 7.857 1.00 0.00 C ATOM 206 C GLU A 14 -6.736 -2.627 7.252 1.00 0.00 C ATOM 207 O GLU A 14 -5.630 -2.884 6.783 1.00 0.00 O ATOM 208 CB GLU A 14 -8.707 -4.134 6.892 1.00 0.00 C ATOM 209 CG GLU A 14 -9.455 -5.393 7.304 1.00 0.00 C ATOM 210 CD GLU A 14 -10.725 -5.598 6.506 1.00 0.00 C ATOM 211 OE1 GLU A 14 -11.784 -5.071 6.916 1.00 0.00 O ATOM 212 OE2 GLU A 14 -10.680 -6.293 5.473 1.00 0.00 O ATOM 0 H GLU A 14 -9.156 -3.112 9.102 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.950 -4.597 8.033 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.417 -3.311 6.811 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.280 -4.285 5.901 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.804 -6.258 7.174 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.701 -5.335 8.364 1.00 0.00 H new ATOM 219 N LYS A 15 -7.250 -1.398 7.269 1.00 0.00 N ATOM 220 CA LYS A 15 -6.494 -0.241 6.797 1.00 0.00 C ATOM 221 C LYS A 15 -5.184 -0.099 7.570 1.00 0.00 C ATOM 222 O LYS A 15 -4.125 0.145 6.990 1.00 0.00 O ATOM 223 CB LYS A 15 -7.324 1.036 6.941 1.00 0.00 C ATOM 224 CG LYS A 15 -8.456 1.158 5.937 1.00 0.00 C ATOM 225 CD LYS A 15 -9.410 2.277 6.321 1.00 0.00 C ATOM 226 CE LYS A 15 -9.955 2.991 5.100 1.00 0.00 C ATOM 227 NZ LYS A 15 -10.931 4.050 5.469 1.00 0.00 N ATOM 0 H LYS A 15 -8.188 -1.179 7.605 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.263 -0.396 5.743 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.740 1.074 7.948 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.665 1.898 6.836 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.047 1.349 4.945 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.000 0.215 5.881 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.236 1.868 6.902 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.893 2.992 6.961 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.131 3.435 4.541 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.435 2.268 4.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.949 4.779 4.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.878 3.631 5.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.650 4.482 6.372 1.00 0.00 H new ATOM 241 N ARG A 16 -5.268 -0.256 8.885 1.00 0.00 N ATOM 242 CA ARG A 16 -4.089 -0.207 9.742 1.00 0.00 C ATOM 243 C ARG A 16 -3.122 -1.332 9.392 1.00 0.00 C ATOM 244 O ARG A 16 -1.923 -1.108 9.231 1.00 0.00 O ATOM 245 CB ARG A 16 -4.488 -0.331 11.214 1.00 0.00 C ATOM 246 CG ARG A 16 -3.313 -0.199 12.173 1.00 0.00 C ATOM 247 CD ARG A 16 -3.495 -1.078 13.399 1.00 0.00 C ATOM 248 NE ARG A 16 -3.418 -2.502 13.063 1.00 0.00 N ATOM 249 CZ ARG A 16 -4.174 -3.447 13.622 1.00 0.00 C ATOM 250 NH1 ARG A 16 -5.071 -3.128 14.548 1.00 0.00 N ATOM 251 NH2 ARG A 16 -4.026 -4.716 13.260 1.00 0.00 N ATOM 0 H ARG A 16 -6.143 -0.419 9.383 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.599 0.753 9.579 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.226 0.436 11.448 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.970 -1.296 11.372 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.391 -0.473 11.661 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.209 0.841 12.482 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.729 -0.837 14.136 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.460 -0.865 13.859 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.742 -2.789 12.355 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.184 -2.156 14.835 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.647 -3.855 14.972 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.334 -4.968 12.554 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.604 -5.439 13.688 1.00 0.00 H new ATOM 265 N GLN A 17 -3.655 -2.544 9.271 1.00 0.00 N ATOM 266 CA GLN A 17 -2.841 -3.711 8.993 1.00 0.00 C ATOM 267 C GLN A 17 -2.247 -3.633 7.593 1.00 0.00 C ATOM 268 O GLN A 17 -1.230 -4.249 7.312 1.00 0.00 O ATOM 269 CB GLN A 17 -3.672 -4.986 9.153 1.00 0.00 C ATOM 270 CG GLN A 17 -2.834 -6.250 9.221 1.00 0.00 C ATOM 271 CD GLN A 17 -1.890 -6.255 10.407 1.00 0.00 C ATOM 272 OE1 GLN A 17 -2.183 -5.668 11.450 1.00 0.00 O ATOM 273 NE2 GLN A 17 -0.750 -6.907 10.256 1.00 0.00 N ATOM 0 H GLN A 17 -4.652 -2.739 9.362 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.020 -3.737 9.709 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.272 -4.908 10.060 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.367 -5.065 8.317 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.493 -7.116 9.281 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.258 -6.351 8.301 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.546 -7.380 9.376 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.075 -6.937 11.020 1.00 0.00 H new ATOM 282 N LEU A 18 -2.884 -2.855 6.735 1.00 0.00 N ATOM 283 CA LEU A 18 -2.409 -2.651 5.371 1.00 0.00 C ATOM 284 C LEU A 18 -1.178 -1.751 5.388 1.00 0.00 C ATOM 285 O LEU A 18 -0.220 -1.954 4.652 1.00 0.00 O ATOM 286 CB LEU A 18 -3.523 -2.024 4.532 1.00 0.00 C ATOM 287 CG LEU A 18 -3.701 -2.575 3.114 1.00 0.00 C ATOM 288 CD1 LEU A 18 -5.002 -2.077 2.513 1.00 0.00 C ATOM 289 CD2 LEU A 18 -2.542 -2.185 2.218 1.00 0.00 C ATOM 0 H LEU A 18 -3.740 -2.348 6.959 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.134 -3.609 4.929 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.464 -2.148 5.067 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.335 -0.953 4.461 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.728 -3.662 3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.114 -2.477 1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.838 -2.408 3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.990 -0.988 2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.701 -2.592 1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.476 -1.099 2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.614 -2.583 2.629 1.00 0.00 H new ATOM 301 N SER A 19 -1.206 -0.751 6.244 1.00 0.00 N ATOM 302 CA SER A 19 -0.026 0.057 6.482 1.00 0.00 C ATOM 303 C SER A 19 1.108 -0.828 6.995 1.00 0.00 C ATOM 304 O SER A 19 2.282 -0.612 6.684 1.00 0.00 O ATOM 305 CB SER A 19 -0.345 1.169 7.491 1.00 0.00 C ATOM 306 OG SER A 19 0.811 1.913 7.837 1.00 0.00 O ATOM 0 H SER A 19 -2.027 -0.478 6.784 1.00 0.00 H new ATOM 0 HA SER A 19 0.289 0.522 5.548 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.095 1.838 7.070 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.778 0.731 8.390 1.00 0.00 H new ATOM 0 HG SER A 19 0.582 2.864 7.900 1.00 0.00 H new ATOM 312 N LEU A 20 0.735 -1.841 7.756 1.00 0.00 N ATOM 313 CA LEU A 20 1.694 -2.753 8.345 1.00 0.00 C ATOM 314 C LEU A 20 2.155 -3.814 7.341 1.00 0.00 C ATOM 315 O LEU A 20 3.299 -4.263 7.394 1.00 0.00 O ATOM 316 CB LEU A 20 1.084 -3.403 9.583 1.00 0.00 C ATOM 317 CG LEU A 20 0.799 -2.442 10.735 1.00 0.00 C ATOM 318 CD1 LEU A 20 0.030 -3.161 11.819 1.00 0.00 C ATOM 319 CD2 LEU A 20 2.097 -1.884 11.298 1.00 0.00 C ATOM 0 H LEU A 20 -0.237 -2.053 7.981 1.00 0.00 H new ATOM 0 HA LEU A 20 2.578 -2.185 8.636 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.153 -3.893 9.298 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.759 -4.183 9.937 1.00 0.00 H new ATOM 0 HG LEU A 20 0.201 -1.611 10.360 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.172 -2.473 12.640 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.913 -3.529 11.414 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.619 -4.001 12.187 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.874 -1.201 12.118 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.716 -2.703 11.665 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.633 -1.348 10.515 1.00 0.00 H new ATOM 331 N ASP A 21 1.277 -4.200 6.420 1.00 0.00 N ATOM 332 CA ASP A 21 1.599 -5.249 5.458 1.00 0.00 C ATOM 333 C ASP A 21 2.464 -4.721 4.309 1.00 0.00 C ATOM 334 O ASP A 21 3.295 -5.453 3.766 1.00 0.00 O ATOM 335 CB ASP A 21 0.328 -5.966 4.953 1.00 0.00 C ATOM 336 CG ASP A 21 -0.682 -5.103 4.236 1.00 0.00 C ATOM 337 OD1 ASP A 21 -0.290 -4.235 3.450 1.00 0.00 O ATOM 338 OD2 ASP A 21 -1.898 -5.351 4.432 1.00 0.00 O ATOM 0 H ASP A 21 0.342 -3.805 6.320 1.00 0.00 H new ATOM 0 HA ASP A 21 2.197 -5.997 5.979 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.631 -6.769 4.281 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.164 -6.433 5.806 1.00 0.00 H new ATOM 343 N ILE A 22 2.310 -3.446 3.966 1.00 0.00 N ATOM 344 CA ILE A 22 3.183 -2.824 2.974 1.00 0.00 C ATOM 345 C ILE A 22 4.549 -2.554 3.580 1.00 0.00 C ATOM 346 O ILE A 22 5.577 -2.649 2.911 1.00 0.00 O ATOM 347 CB ILE A 22 2.585 -1.513 2.436 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.287 -1.809 1.692 1.00 0.00 C ATOM 349 CG2 ILE A 22 3.563 -0.793 1.520 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.428 -0.597 1.506 1.00 0.00 C ATOM 0 H ILE A 22 1.597 -2.828 4.355 1.00 0.00 H new ATOM 0 HA ILE A 22 3.283 -3.517 2.139 1.00 0.00 H new ATOM 0 HB ILE A 22 2.378 -0.858 3.282 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.523 -2.233 0.716 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.725 -2.565 2.240 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.110 0.129 1.157 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.473 -0.557 2.072 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.808 -1.434 0.674 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.480 -0.873 0.970 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.164 -0.185 2.480 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.974 0.151 0.932 1.00 0.00 H new ATOM 362 N ASN A 23 4.546 -2.235 4.866 1.00 0.00 N ATOM 363 CA ASN A 23 5.776 -2.041 5.615 1.00 0.00 C ATOM 364 C ASN A 23 6.630 -3.311 5.586 1.00 0.00 C ATOM 365 O ASN A 23 7.858 -3.250 5.662 1.00 0.00 O ATOM 366 CB ASN A 23 5.435 -1.645 7.055 1.00 0.00 C ATOM 367 CG ASN A 23 6.611 -1.765 8.009 1.00 0.00 C ATOM 368 OD1 ASN A 23 6.802 -2.798 8.654 1.00 0.00 O ATOM 369 ND2 ASN A 23 7.400 -0.711 8.111 1.00 0.00 N ATOM 0 H ASN A 23 3.697 -2.104 5.415 1.00 0.00 H new ATOM 0 HA ASN A 23 6.356 -1.241 5.155 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.072 -0.617 7.065 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.620 -2.274 7.414 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.202 -0.733 8.741 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.208 0.125 7.560 1.00 0.00 H new ATOM 376 N LYS A 24 5.968 -4.455 5.440 1.00 0.00 N ATOM 377 CA LYS A 24 6.645 -5.748 5.414 1.00 0.00 C ATOM 378 C LYS A 24 7.368 -5.976 4.090 1.00 0.00 C ATOM 379 O LYS A 24 8.396 -6.650 4.044 1.00 0.00 O ATOM 380 CB LYS A 24 5.630 -6.867 5.638 1.00 0.00 C ATOM 381 CG LYS A 24 5.048 -6.891 7.039 1.00 0.00 C ATOM 382 CD LYS A 24 3.991 -7.973 7.187 1.00 0.00 C ATOM 383 CE LYS A 24 3.334 -7.921 8.558 1.00 0.00 C ATOM 384 NZ LYS A 24 4.329 -8.029 9.657 1.00 0.00 N ATOM 0 H LYS A 24 4.955 -4.513 5.337 1.00 0.00 H new ATOM 0 HA LYS A 24 7.388 -5.752 6.212 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.818 -6.759 4.919 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.109 -7.825 5.436 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.846 -7.060 7.762 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.610 -5.920 7.268 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.233 -7.852 6.413 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.446 -8.952 7.037 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.781 -6.987 8.660 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.610 -8.731 8.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.834 -8.177 10.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.963 -8.833 9.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.887 -7.153 9.707 1.00 0.00 H new ATOM 398 N LEU A 25 6.819 -5.415 3.021 1.00 0.00 N ATOM 399 CA LEU A 25 7.360 -5.611 1.681 1.00 0.00 C ATOM 400 C LEU A 25 8.786 -5.084 1.547 1.00 0.00 C ATOM 401 O LEU A 25 9.091 -3.970 1.980 1.00 0.00 O ATOM 402 CB LEU A 25 6.469 -4.918 0.660 1.00 0.00 C ATOM 403 CG LEU A 25 5.043 -5.431 0.589 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.369 -4.880 -0.641 1.00 0.00 C ATOM 405 CD2 LEU A 25 5.016 -6.941 0.583 1.00 0.00 C ATOM 0 H LEU A 25 5.994 -4.816 3.056 1.00 0.00 H new ATOM 0 HA LEU A 25 7.385 -6.685 1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.443 -3.853 0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.924 -5.022 -0.325 1.00 0.00 H new ATOM 0 HG LEU A 25 4.501 -5.093 1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.345 -5.249 -0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.360 -3.791 -0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.914 -5.201 -1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.983 -7.286 0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.566 -7.311 -0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.479 -7.317 1.495 1.00 0.00 H new ATOM 417 N PRO A 26 9.684 -5.899 0.968 1.00 0.00 N ATOM 418 CA PRO A 26 11.044 -5.469 0.616 1.00 0.00 C ATOM 419 C PRO A 26 11.031 -4.345 -0.412 1.00 0.00 C ATOM 420 O PRO A 26 10.103 -4.270 -1.212 1.00 0.00 O ATOM 421 CB PRO A 26 11.672 -6.727 0.006 1.00 0.00 C ATOM 422 CG PRO A 26 10.857 -7.851 0.536 1.00 0.00 C ATOM 423 CD PRO A 26 9.461 -7.322 0.647 1.00 0.00 C ATOM 0 HA PRO A 26 11.587 -5.081 1.478 1.00 0.00 H new ATOM 0 HB2 PRO A 26 11.643 -6.696 -1.083 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.719 -6.827 0.294 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.897 -8.712 -0.131 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.229 -8.181 1.506 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.905 -7.446 -0.282 1.00 0.00 H new ATOM 0 HD3 PRO A 26 8.895 -7.830 1.428 1.00 0.00 H new ATOM 431 N GLY A 27 12.057 -3.490 -0.389 1.00 0.00 N ATOM 432 CA GLY A 27 12.103 -2.306 -1.245 1.00 0.00 C ATOM 433 C GLY A 27 11.638 -2.547 -2.673 1.00 0.00 C ATOM 434 O GLY A 27 10.868 -1.752 -3.218 1.00 0.00 O ATOM 0 H GLY A 27 12.870 -3.599 0.217 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.484 -1.527 -0.801 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.125 -1.928 -1.267 1.00 0.00 H new ATOM 438 N GLU A 28 12.089 -3.647 -3.269 1.00 0.00 N ATOM 439 CA GLU A 28 11.697 -4.012 -4.630 1.00 0.00 C ATOM 440 C GLU A 28 10.174 -4.084 -4.757 1.00 0.00 C ATOM 441 O GLU A 28 9.564 -3.369 -5.555 1.00 0.00 O ATOM 442 CB GLU A 28 12.327 -5.370 -4.996 1.00 0.00 C ATOM 443 CG GLU A 28 11.750 -6.030 -6.235 1.00 0.00 C ATOM 444 CD GLU A 28 12.055 -7.514 -6.292 1.00 0.00 C ATOM 445 OE1 GLU A 28 11.565 -8.261 -5.422 1.00 0.00 O ATOM 446 OE2 GLU A 28 12.776 -7.941 -7.222 1.00 0.00 O ATOM 0 H GLU A 28 12.731 -4.306 -2.829 1.00 0.00 H new ATOM 0 HA GLU A 28 12.056 -3.247 -5.318 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.398 -5.229 -5.143 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.207 -6.049 -4.152 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.670 -5.882 -6.253 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.153 -5.544 -7.124 1.00 0.00 H new ATOM 453 N LYS A 29 9.574 -4.944 -3.954 1.00 0.00 N ATOM 454 CA LYS A 29 8.131 -5.134 -3.947 1.00 0.00 C ATOM 455 C LYS A 29 7.416 -3.872 -3.469 1.00 0.00 C ATOM 456 O LYS A 29 6.345 -3.514 -3.956 1.00 0.00 O ATOM 457 CB LYS A 29 7.800 -6.313 -3.034 1.00 0.00 C ATOM 458 CG LYS A 29 8.165 -7.676 -3.618 1.00 0.00 C ATOM 459 CD LYS A 29 7.319 -7.993 -4.845 1.00 0.00 C ATOM 460 CE LYS A 29 7.409 -9.457 -5.258 1.00 0.00 C ATOM 461 NZ LYS A 29 6.759 -10.362 -4.272 1.00 0.00 N ATOM 0 H LYS A 29 10.073 -5.532 -3.286 1.00 0.00 H new ATOM 0 HA LYS A 29 7.788 -5.341 -4.961 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.324 -6.183 -2.087 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.733 -6.299 -2.812 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.221 -7.688 -3.888 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.020 -8.449 -2.863 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.279 -7.741 -4.639 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.641 -7.365 -5.676 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.939 -9.587 -6.233 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.456 -9.737 -5.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.335 -11.220 -4.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.674 -9.875 -3.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.812 -10.625 -4.613 1.00 0.00 H new ATOM 475 N LEU A 30 8.047 -3.200 -2.531 1.00 0.00 N ATOM 476 CA LEU A 30 7.511 -1.988 -1.925 1.00 0.00 C ATOM 477 C LEU A 30 7.285 -0.889 -2.958 1.00 0.00 C ATOM 478 O LEU A 30 6.255 -0.216 -2.922 1.00 0.00 O ATOM 479 CB LEU A 30 8.479 -1.522 -0.833 1.00 0.00 C ATOM 480 CG LEU A 30 8.094 -0.254 -0.081 1.00 0.00 C ATOM 481 CD1 LEU A 30 6.600 -0.211 0.204 1.00 0.00 C ATOM 482 CD2 LEU A 30 8.888 -0.190 1.213 1.00 0.00 C ATOM 0 H LEU A 30 8.956 -3.477 -2.160 1.00 0.00 H new ATOM 0 HA LEU A 30 6.536 -2.209 -1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.590 -2.328 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.457 -1.366 -1.288 1.00 0.00 H new ATOM 0 HG LEU A 30 8.329 0.612 -0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.358 0.706 0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.049 -0.236 -0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.321 -1.072 0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.620 0.714 1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.660 -1.064 1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.954 -0.174 0.985 1.00 0.00 H new ATOM 494 N GLY A 31 8.228 -0.728 -3.888 1.00 0.00 N ATOM 495 CA GLY A 31 8.129 0.332 -4.885 1.00 0.00 C ATOM 496 C GLY A 31 6.831 0.287 -5.676 1.00 0.00 C ATOM 497 O GLY A 31 6.342 1.320 -6.131 1.00 0.00 O ATOM 0 H GLY A 31 9.060 -1.313 -3.969 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.212 1.299 -4.388 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.970 0.255 -5.574 1.00 0.00 H new ATOM 501 N ARG A 32 6.263 -0.907 -5.826 1.00 0.00 N ATOM 502 CA ARG A 32 4.990 -1.060 -6.520 1.00 0.00 C ATOM 503 C ARG A 32 3.880 -0.336 -5.771 1.00 0.00 C ATOM 504 O ARG A 32 3.112 0.406 -6.367 1.00 0.00 O ATOM 505 CB ARG A 32 4.627 -2.539 -6.671 1.00 0.00 C ATOM 506 CG ARG A 32 3.239 -2.783 -7.266 1.00 0.00 C ATOM 507 CD ARG A 32 3.112 -2.216 -8.677 1.00 0.00 C ATOM 508 NE ARG A 32 4.001 -2.880 -9.631 1.00 0.00 N ATOM 509 CZ ARG A 32 3.979 -2.647 -10.945 1.00 0.00 C ATOM 510 NH1 ARG A 32 3.108 -1.782 -11.454 1.00 0.00 N ATOM 511 NH2 ARG A 32 4.828 -3.273 -11.749 1.00 0.00 N ATOM 0 H ARG A 32 6.663 -1.778 -5.478 1.00 0.00 H new ATOM 0 HA ARG A 32 5.096 -0.620 -7.512 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.372 -3.022 -7.303 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.681 -3.017 -5.693 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.037 -3.854 -7.286 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.485 -2.328 -6.624 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.081 -2.319 -9.015 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.337 -1.150 -8.658 1.00 0.00 H new ATOM 0 HE ARG A 32 4.674 -3.558 -9.272 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.455 -1.295 -10.840 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.093 -1.605 -12.458 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.501 -3.935 -11.364 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.808 -3.092 -12.753 1.00 0.00 H new ATOM 525 N VAL A 33 3.821 -0.534 -4.461 1.00 0.00 N ATOM 526 CA VAL A 33 2.721 -0.005 -3.656 1.00 0.00 C ATOM 527 C VAL A 33 2.781 1.508 -3.573 1.00 0.00 C ATOM 528 O VAL A 33 1.774 2.175 -3.798 1.00 0.00 O ATOM 529 CB VAL A 33 2.697 -0.590 -2.235 1.00 0.00 C ATOM 530 CG1 VAL A 33 1.266 -0.834 -1.814 1.00 0.00 C ATOM 531 CG2 VAL A 33 3.501 -1.873 -2.148 1.00 0.00 C ATOM 0 H VAL A 33 4.519 -1.056 -3.931 1.00 0.00 H new ATOM 0 HA VAL A 33 1.804 -0.307 -4.162 1.00 0.00 H new ATOM 0 HB VAL A 33 3.158 0.130 -1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.249 -1.249 -0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.717 0.108 -1.828 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.799 -1.537 -2.504 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.462 -2.258 -1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.083 -2.612 -2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.537 -1.672 -2.420 1.00 0.00 H new ATOM 541 N VAL A 34 3.961 2.046 -3.262 1.00 0.00 N ATOM 542 CA VAL A 34 4.161 3.499 -3.271 1.00 0.00 C ATOM 543 C VAL A 34 3.665 4.068 -4.593 1.00 0.00 C ATOM 544 O VAL A 34 3.019 5.115 -4.636 1.00 0.00 O ATOM 545 CB VAL A 34 5.654 3.896 -3.040 1.00 0.00 C ATOM 546 CG1 VAL A 34 6.542 2.682 -3.086 1.00 0.00 C ATOM 547 CG2 VAL A 34 6.141 4.932 -4.049 1.00 0.00 C ATOM 0 H VAL A 34 4.786 1.505 -3.003 1.00 0.00 H new ATOM 0 HA VAL A 34 3.589 3.919 -2.444 1.00 0.00 H new ATOM 0 HB VAL A 34 5.709 4.347 -2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.577 2.982 -2.923 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.240 1.981 -2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.453 2.203 -4.061 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.184 5.175 -3.846 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.052 4.528 -5.057 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.535 5.834 -3.965 1.00 0.00 H new ATOM 557 N HIS A 35 3.951 3.338 -5.658 1.00 0.00 N ATOM 558 CA HIS A 35 3.509 3.716 -6.990 1.00 0.00 C ATOM 559 C HIS A 35 1.989 3.589 -7.118 1.00 0.00 C ATOM 560 O HIS A 35 1.337 4.502 -7.614 1.00 0.00 O ATOM 561 CB HIS A 35 4.216 2.852 -8.036 1.00 0.00 C ATOM 562 CG HIS A 35 3.976 3.272 -9.455 1.00 0.00 C ATOM 563 ND1 HIS A 35 4.699 4.264 -10.074 1.00 0.00 N ATOM 564 CD2 HIS A 35 3.106 2.811 -10.385 1.00 0.00 C ATOM 565 CE1 HIS A 35 4.286 4.399 -11.317 1.00 0.00 C ATOM 566 NE2 HIS A 35 3.321 3.529 -11.535 1.00 0.00 N ATOM 0 H HIS A 35 4.492 2.474 -5.625 1.00 0.00 H new ATOM 0 HA HIS A 35 3.770 4.760 -7.162 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.288 2.872 -7.841 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.890 1.819 -7.916 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.378 2.025 -10.247 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.673 5.105 -12.037 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.817 3.409 -12.413 1.00 0.00 H new ATOM 575 N ILE A 36 1.430 2.467 -6.652 1.00 0.00 N ATOM 576 CA ILE A 36 -0.012 2.228 -6.746 1.00 0.00 C ATOM 577 C ILE A 36 -0.791 3.370 -6.115 1.00 0.00 C ATOM 578 O ILE A 36 -1.632 3.986 -6.769 1.00 0.00 O ATOM 579 CB ILE A 36 -0.467 0.903 -6.075 1.00 0.00 C ATOM 580 CG1 ILE A 36 0.261 -0.301 -6.681 1.00 0.00 C ATOM 581 CG2 ILE A 36 -1.975 0.742 -6.238 1.00 0.00 C ATOM 582 CD1 ILE A 36 -0.261 -1.644 -6.210 1.00 0.00 C ATOM 0 H ILE A 36 1.953 1.713 -6.207 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.222 2.156 -7.813 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.217 0.947 -5.015 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.179 -0.252 -7.767 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.321 -0.230 -6.438 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.295 -0.188 -5.767 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.484 1.582 -5.765 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.226 0.717 -7.298 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.308 -2.443 -6.686 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.153 -1.717 -5.128 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.313 -1.739 -6.477 1.00 0.00 H new ATOM 594 N ILE A 37 -0.496 3.667 -4.854 1.00 0.00 N ATOM 595 CA ILE A 37 -1.234 4.694 -4.136 1.00 0.00 C ATOM 596 C ILE A 37 -1.116 6.044 -4.841 1.00 0.00 C ATOM 597 O ILE A 37 -2.114 6.717 -5.071 1.00 0.00 O ATOM 598 CB ILE A 37 -0.772 4.849 -2.671 1.00 0.00 C ATOM 599 CG1 ILE A 37 -0.939 3.541 -1.899 1.00 0.00 C ATOM 600 CG2 ILE A 37 -1.588 5.939 -2.007 1.00 0.00 C ATOM 601 CD1 ILE A 37 0.351 2.979 -1.357 1.00 0.00 C ATOM 0 H ILE A 37 0.242 3.215 -4.314 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.274 4.367 -4.129 1.00 0.00 H new ATOM 0 HB ILE A 37 0.285 5.113 -2.665 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.628 3.706 -1.071 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.399 2.801 -2.554 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.267 6.054 -0.972 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.441 6.879 -2.539 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.644 5.669 -2.032 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.147 2.051 -0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.036 2.780 -2.181 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.803 3.699 -0.675 1.00 0.00 H new ATOM 613 N GLN A 38 0.105 6.421 -5.189 1.00 0.00 N ATOM 614 CA GLN A 38 0.355 7.690 -5.873 1.00 0.00 C ATOM 615 C GLN A 38 -0.376 7.775 -7.214 1.00 0.00 C ATOM 616 O GLN A 38 -0.850 8.847 -7.599 1.00 0.00 O ATOM 617 CB GLN A 38 1.857 7.905 -6.094 1.00 0.00 C ATOM 618 CG GLN A 38 2.624 8.243 -4.821 1.00 0.00 C ATOM 619 CD GLN A 38 3.817 9.140 -5.089 1.00 0.00 C ATOM 620 OE1 GLN A 38 3.842 9.883 -6.070 1.00 0.00 O ATOM 621 NE2 GLN A 38 4.795 9.107 -4.204 1.00 0.00 N ATOM 0 H GLN A 38 0.943 5.868 -5.010 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.032 8.476 -5.225 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.283 7.004 -6.535 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.997 8.710 -6.816 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.954 8.734 -4.115 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.964 7.321 -4.349 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.738 8.477 -3.404 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.609 9.711 -4.320 1.00 0.00 H new ATOM 630 N SER A 39 -0.451 6.662 -7.932 1.00 0.00 N ATOM 631 CA SER A 39 -1.104 6.622 -9.213 1.00 0.00 C ATOM 632 C SER A 39 -2.632 6.628 -9.076 1.00 0.00 C ATOM 633 O SER A 39 -3.325 7.257 -9.878 1.00 0.00 O ATOM 634 CB SER A 39 -0.617 5.387 -9.962 1.00 0.00 C ATOM 635 OG SER A 39 0.782 5.455 -10.191 1.00 0.00 O ATOM 0 H SER A 39 -0.059 5.769 -7.635 1.00 0.00 H new ATOM 0 HA SER A 39 -0.848 7.519 -9.776 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.853 4.491 -9.387 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.142 5.303 -10.913 1.00 0.00 H new ATOM 0 HG SER A 39 1.260 5.157 -9.389 1.00 0.00 H new ATOM 641 N ARG A 40 -3.157 5.953 -8.055 1.00 0.00 N ATOM 642 CA ARG A 40 -4.606 5.892 -7.855 1.00 0.00 C ATOM 643 C ARG A 40 -5.117 7.134 -7.141 1.00 0.00 C ATOM 644 O ARG A 40 -6.198 7.639 -7.460 1.00 0.00 O ATOM 645 CB ARG A 40 -5.015 4.652 -7.062 1.00 0.00 C ATOM 646 CG ARG A 40 -4.467 3.346 -7.613 1.00 0.00 C ATOM 647 CD ARG A 40 -5.363 2.184 -7.263 1.00 0.00 C ATOM 648 NE ARG A 40 -6.695 2.318 -7.846 1.00 0.00 N ATOM 649 CZ ARG A 40 -7.410 1.297 -8.307 1.00 0.00 C ATOM 650 NH1 ARG A 40 -6.923 0.064 -8.249 1.00 0.00 N ATOM 651 NH2 ARG A 40 -8.611 1.516 -8.828 1.00 0.00 N ATOM 0 H ARG A 40 -2.609 5.446 -7.360 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.055 5.838 -8.847 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.679 4.767 -6.032 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.103 4.594 -7.037 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.369 3.419 -8.696 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.468 3.171 -7.213 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.907 1.258 -7.613 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.449 2.108 -6.179 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.101 3.252 -7.903 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.999 -0.101 -7.850 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.473 -0.719 -8.603 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.982 2.465 -8.873 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.163 0.735 -9.183 1.00 0.00 H new ATOM 665 N GLU A 41 -4.351 7.617 -6.172 1.00 0.00 N ATOM 666 CA GLU A 41 -4.745 8.782 -5.392 1.00 0.00 C ATOM 667 C GLU A 41 -3.911 10.002 -5.777 1.00 0.00 C ATOM 668 O GLU A 41 -2.828 10.222 -5.228 1.00 0.00 O ATOM 669 CB GLU A 41 -4.583 8.505 -3.896 1.00 0.00 C ATOM 670 CG GLU A 41 -5.263 7.233 -3.419 1.00 0.00 C ATOM 671 CD GLU A 41 -6.691 7.118 -3.900 1.00 0.00 C ATOM 672 OE1 GLU A 41 -7.546 7.902 -3.447 1.00 0.00 O ATOM 673 OE2 GLU A 41 -6.966 6.243 -4.739 1.00 0.00 O ATOM 0 H GLU A 41 -3.450 7.218 -5.907 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.793 8.989 -5.608 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.520 8.444 -3.663 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.985 9.350 -3.336 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.696 6.370 -3.768 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.248 7.205 -2.329 1.00 0.00 H new ATOM 680 N PRO A 42 -4.403 10.824 -6.720 1.00 0.00 N ATOM 681 CA PRO A 42 -3.701 12.039 -7.154 1.00 0.00 C ATOM 682 C PRO A 42 -3.534 13.055 -6.023 1.00 0.00 C ATOM 683 O PRO A 42 -2.708 13.966 -6.107 1.00 0.00 O ATOM 684 CB PRO A 42 -4.603 12.617 -8.251 1.00 0.00 C ATOM 685 CG PRO A 42 -5.486 11.493 -8.668 1.00 0.00 C ATOM 686 CD PRO A 42 -5.665 10.632 -7.452 1.00 0.00 C ATOM 0 HA PRO A 42 -2.690 11.813 -7.492 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.187 13.458 -7.877 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.014 12.986 -9.090 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.446 11.864 -9.028 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.037 10.927 -9.484 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -6.526 10.944 -6.860 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.822 9.587 -7.718 1.00 0.00 H new ATOM 694 N SER A 43 -4.309 12.876 -4.962 1.00 0.00 N ATOM 695 CA SER A 43 -4.308 13.789 -3.830 1.00 0.00 C ATOM 696 C SER A 43 -2.986 13.746 -3.065 1.00 0.00 C ATOM 697 O SER A 43 -2.668 14.662 -2.308 1.00 0.00 O ATOM 698 CB SER A 43 -5.462 13.432 -2.897 1.00 0.00 C ATOM 699 OG SER A 43 -6.675 13.300 -3.621 1.00 0.00 O ATOM 0 H SER A 43 -4.956 12.093 -4.863 1.00 0.00 H new ATOM 0 HA SER A 43 -4.432 14.803 -4.210 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.240 12.500 -2.378 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.571 14.203 -2.135 1.00 0.00 H new ATOM 0 HG SER A 43 -7.401 13.069 -3.004 1.00 0.00 H new ATOM 705 N LEU A 44 -2.212 12.686 -3.265 1.00 0.00 N ATOM 706 CA LEU A 44 -0.953 12.534 -2.550 1.00 0.00 C ATOM 707 C LEU A 44 0.212 12.316 -3.505 1.00 0.00 C ATOM 708 O LEU A 44 1.311 11.966 -3.078 1.00 0.00 O ATOM 709 CB LEU A 44 -1.042 11.387 -1.536 1.00 0.00 C ATOM 710 CG LEU A 44 -1.493 10.034 -2.089 1.00 0.00 C ATOM 711 CD1 LEU A 44 -0.301 9.213 -2.560 1.00 0.00 C ATOM 712 CD2 LEU A 44 -2.287 9.277 -1.037 1.00 0.00 C ATOM 0 H LEU A 44 -2.432 11.927 -3.910 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.767 13.463 -2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.063 11.260 -1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.731 11.681 -0.745 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.136 10.211 -2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.649 8.256 -2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.225 9.754 -3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.375 9.040 -1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.603 8.315 -1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.663 9.114 -0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.165 9.858 -0.756 1.00 0.00 H new ATOM 724 N LYS A 45 -0.017 12.549 -4.790 1.00 0.00 N ATOM 725 CA LYS A 45 1.038 12.373 -5.788 1.00 0.00 C ATOM 726 C LYS A 45 2.053 13.509 -5.693 1.00 0.00 C ATOM 727 O LYS A 45 3.118 13.463 -6.303 1.00 0.00 O ATOM 728 CB LYS A 45 0.457 12.298 -7.205 1.00 0.00 C ATOM 729 CG LYS A 45 -0.011 13.624 -7.763 1.00 0.00 C ATOM 730 CD LYS A 45 -0.703 13.419 -9.091 1.00 0.00 C ATOM 731 CE LYS A 45 -0.741 14.697 -9.896 1.00 0.00 C ATOM 732 NZ LYS A 45 -1.353 14.490 -11.233 1.00 0.00 N ATOM 0 H LYS A 45 -0.913 12.857 -5.167 1.00 0.00 H new ATOM 0 HA LYS A 45 1.542 11.429 -5.580 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.213 11.884 -7.872 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.382 11.602 -7.203 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.693 14.102 -7.060 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.839 14.294 -7.888 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.184 12.646 -9.658 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.719 13.063 -8.922 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.306 15.453 -9.351 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.272 15.081 -10.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.361 15.390 -11.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.799 13.787 -11.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.328 14.148 -11.119 1.00 0.00 H new ATOM 746 N ASN A 46 1.707 14.527 -4.916 1.00 0.00 N ATOM 747 CA ASN A 46 2.591 15.659 -4.675 1.00 0.00 C ATOM 748 C ASN A 46 3.582 15.342 -3.559 1.00 0.00 C ATOM 749 O ASN A 46 4.403 16.181 -3.176 1.00 0.00 O ATOM 750 CB ASN A 46 1.766 16.899 -4.326 1.00 0.00 C ATOM 751 CG ASN A 46 0.671 16.595 -3.325 1.00 0.00 C ATOM 752 OD1 ASN A 46 -0.433 16.199 -3.701 1.00 0.00 O ATOM 753 ND2 ASN A 46 0.957 16.776 -2.052 1.00 0.00 N ATOM 0 H ASN A 46 0.809 14.591 -4.437 1.00 0.00 H new ATOM 0 HA ASN A 46 3.159 15.859 -5.583 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.423 17.668 -3.920 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.322 17.306 -5.235 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.252 16.587 -1.339 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.883 17.105 -1.779 1.00 0.00 H new ATOM 760 N SER A 47 3.492 14.129 -3.032 1.00 0.00 N ATOM 761 CA SER A 47 4.450 13.648 -2.052 1.00 0.00 C ATOM 762 C SER A 47 5.685 13.138 -2.780 1.00 0.00 C ATOM 763 O SER A 47 5.559 12.443 -3.791 1.00 0.00 O ATOM 764 CB SER A 47 3.834 12.518 -1.221 1.00 0.00 C ATOM 765 OG SER A 47 2.525 12.855 -0.797 1.00 0.00 O ATOM 0 H SER A 47 2.761 13.459 -3.270 1.00 0.00 H new ATOM 0 HA SER A 47 4.725 14.462 -1.381 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.804 11.602 -1.811 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.461 12.317 -0.352 1.00 0.00 H new ATOM 0 HG SER A 47 1.882 12.614 -1.497 1.00 0.00 H new ATOM 771 N ASN A 48 6.869 13.489 -2.285 1.00 0.00 N ATOM 772 CA ASN A 48 8.108 13.017 -2.893 1.00 0.00 C ATOM 773 C ASN A 48 8.101 11.500 -2.901 1.00 0.00 C ATOM 774 O ASN A 48 7.846 10.879 -1.872 1.00 0.00 O ATOM 775 CB ASN A 48 9.343 13.504 -2.123 1.00 0.00 C ATOM 776 CG ASN A 48 9.386 15.006 -1.937 1.00 0.00 C ATOM 777 OD1 ASN A 48 8.849 15.766 -2.739 1.00 0.00 O ATOM 778 ND2 ASN A 48 10.049 15.439 -0.877 1.00 0.00 N ATOM 0 H ASN A 48 6.996 14.093 -1.473 1.00 0.00 H new ATOM 0 HA ASN A 48 8.163 13.415 -3.906 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.364 13.024 -1.145 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.241 13.186 -2.653 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.130 16.440 -0.700 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.479 14.772 -0.237 1.00 0.00 H new ATOM 785 N PRO A 49 8.377 10.879 -4.056 1.00 0.00 N ATOM 786 CA PRO A 49 8.290 9.424 -4.209 1.00 0.00 C ATOM 787 C PRO A 49 9.238 8.656 -3.293 1.00 0.00 C ATOM 788 O PRO A 49 9.164 7.436 -3.218 1.00 0.00 O ATOM 789 CB PRO A 49 8.651 9.173 -5.671 1.00 0.00 C ATOM 790 CG PRO A 49 9.320 10.419 -6.143 1.00 0.00 C ATOM 791 CD PRO A 49 8.777 11.544 -5.308 1.00 0.00 C ATOM 0 HA PRO A 49 7.296 9.072 -3.935 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.313 8.313 -5.768 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.761 8.959 -6.263 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.402 10.343 -6.033 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.118 10.590 -7.200 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.529 12.313 -5.132 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.931 12.031 -5.792 1.00 0.00 H new ATOM 799 N ASP A 50 10.118 9.365 -2.597 1.00 0.00 N ATOM 800 CA ASP A 50 11.027 8.736 -1.649 1.00 0.00 C ATOM 801 C ASP A 50 10.480 8.833 -0.226 1.00 0.00 C ATOM 802 O ASP A 50 10.709 7.949 0.601 1.00 0.00 O ATOM 803 CB ASP A 50 12.415 9.370 -1.727 1.00 0.00 C ATOM 804 CG ASP A 50 13.030 9.223 -3.098 1.00 0.00 C ATOM 805 OD1 ASP A 50 13.269 8.077 -3.527 1.00 0.00 O ATOM 806 OD2 ASP A 50 13.270 10.254 -3.762 1.00 0.00 O ATOM 0 H ASP A 50 10.221 10.377 -2.672 1.00 0.00 H new ATOM 0 HA ASP A 50 11.113 7.682 -1.915 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.345 10.428 -1.473 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.067 8.907 -0.986 1.00 0.00 H new ATOM 811 N GLU A 51 9.709 9.880 0.018 1.00 0.00 N ATOM 812 CA GLU A 51 9.157 10.177 1.337 1.00 0.00 C ATOM 813 C GLU A 51 7.655 10.372 1.203 1.00 0.00 C ATOM 814 O GLU A 51 7.133 11.459 1.450 1.00 0.00 O ATOM 815 CB GLU A 51 9.797 11.451 1.904 1.00 0.00 C ATOM 816 CG GLU A 51 10.723 11.198 3.077 1.00 0.00 C ATOM 817 CD GLU A 51 11.526 12.420 3.462 1.00 0.00 C ATOM 818 OE1 GLU A 51 10.962 13.340 4.093 1.00 0.00 O ATOM 819 OE2 GLU A 51 12.729 12.471 3.130 1.00 0.00 O ATOM 0 H GLU A 51 9.444 10.556 -0.698 1.00 0.00 H new ATOM 0 HA GLU A 51 9.368 9.351 2.017 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.356 11.949 1.112 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.008 12.135 2.216 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.135 10.870 3.934 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.404 10.385 2.828 1.00 0.00 H new ATOM 826 N ILE A 52 6.964 9.317 0.802 1.00 0.00 N ATOM 827 CA ILE A 52 5.593 9.449 0.351 1.00 0.00 C ATOM 828 C ILE A 52 4.609 9.535 1.518 1.00 0.00 C ATOM 829 O ILE A 52 4.803 8.912 2.563 1.00 0.00 O ATOM 830 CB ILE A 52 5.208 8.301 -0.607 1.00 0.00 C ATOM 831 CG1 ILE A 52 4.676 7.101 0.138 1.00 0.00 C ATOM 832 CG2 ILE A 52 6.415 7.868 -1.422 1.00 0.00 C ATOM 833 CD1 ILE A 52 3.873 6.192 -0.756 1.00 0.00 C ATOM 0 H ILE A 52 7.330 8.365 0.780 1.00 0.00 H new ATOM 0 HA ILE A 52 5.529 10.389 -0.197 1.00 0.00 H new ATOM 0 HB ILE A 52 4.424 8.682 -1.262 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.508 6.544 0.569 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.053 7.436 0.968 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.129 7.058 -2.093 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.781 8.712 -2.007 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.202 7.523 -0.751 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.510 5.342 -0.179 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.025 6.741 -1.166 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.502 5.835 -1.571 1.00 0.00 H new ATOM 845 N GLU A 53 3.561 10.327 1.317 1.00 0.00 N ATOM 846 CA GLU A 53 2.567 10.596 2.339 1.00 0.00 C ATOM 847 C GLU A 53 1.261 9.888 1.985 1.00 0.00 C ATOM 848 O GLU A 53 0.581 10.273 1.033 1.00 0.00 O ATOM 849 CB GLU A 53 2.332 12.108 2.412 1.00 0.00 C ATOM 850 CG GLU A 53 2.055 12.656 3.803 1.00 0.00 C ATOM 851 CD GLU A 53 1.026 11.861 4.571 1.00 0.00 C ATOM 852 OE1 GLU A 53 -0.185 12.061 4.336 1.00 0.00 O ATOM 853 OE2 GLU A 53 1.432 11.053 5.427 1.00 0.00 O ATOM 0 H GLU A 53 3.380 10.802 0.432 1.00 0.00 H new ATOM 0 HA GLU A 53 2.918 10.229 3.303 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.208 12.615 2.007 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.491 12.360 1.766 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.986 12.673 4.370 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.715 13.688 3.717 1.00 0.00 H new ATOM 860 N ILE A 54 0.914 8.859 2.737 1.00 0.00 N ATOM 861 CA ILE A 54 -0.313 8.112 2.480 1.00 0.00 C ATOM 862 C ILE A 54 -1.347 8.393 3.559 1.00 0.00 C ATOM 863 O ILE A 54 -1.028 8.367 4.747 1.00 0.00 O ATOM 864 CB ILE A 54 -0.054 6.596 2.425 1.00 0.00 C ATOM 865 CG1 ILE A 54 0.948 6.257 1.329 1.00 0.00 C ATOM 866 CG2 ILE A 54 -1.355 5.851 2.181 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.391 4.814 1.355 1.00 0.00 C ATOM 0 H ILE A 54 1.460 8.519 3.529 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.688 8.441 1.511 1.00 0.00 H new ATOM 0 HB ILE A 54 0.363 6.287 3.384 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.503 6.477 0.358 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.822 6.901 1.432 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.159 4.779 2.144 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.054 6.065 2.990 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.787 6.174 1.234 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.104 4.638 0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.864 4.596 2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.525 4.165 1.222 1.00 0.00 H new ATOM 879 N ASP A 55 -2.587 8.637 3.151 1.00 0.00 N ATOM 880 CA ASP A 55 -3.648 8.902 4.110 1.00 0.00 C ATOM 881 C ASP A 55 -4.714 7.832 3.982 1.00 0.00 C ATOM 882 O ASP A 55 -5.649 7.957 3.193 1.00 0.00 O ATOM 883 CB ASP A 55 -4.246 10.296 3.907 1.00 0.00 C ATOM 884 CG ASP A 55 -5.115 10.717 5.071 1.00 0.00 C ATOM 885 OD1 ASP A 55 -4.574 10.945 6.174 1.00 0.00 O ATOM 886 OD2 ASP A 55 -6.339 10.840 4.890 1.00 0.00 O ATOM 0 H ASP A 55 -2.879 8.656 2.174 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.229 8.876 5.116 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.441 11.020 3.775 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.837 10.307 2.991 1.00 0.00 H new ATOM 891 N PHE A 56 -4.563 6.778 4.769 1.00 0.00 N ATOM 892 CA PHE A 56 -5.347 5.562 4.602 1.00 0.00 C ATOM 893 C PHE A 56 -6.847 5.774 4.776 1.00 0.00 C ATOM 894 O PHE A 56 -7.645 4.943 4.349 1.00 0.00 O ATOM 895 CB PHE A 56 -4.840 4.488 5.553 1.00 0.00 C ATOM 896 CG PHE A 56 -4.022 3.458 4.845 1.00 0.00 C ATOM 897 CD1 PHE A 56 -2.666 3.636 4.646 1.00 0.00 C ATOM 898 CD2 PHE A 56 -4.622 2.323 4.349 1.00 0.00 C ATOM 899 CE1 PHE A 56 -1.927 2.692 3.961 1.00 0.00 C ATOM 900 CE2 PHE A 56 -3.896 1.378 3.669 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.547 1.557 3.472 1.00 0.00 C ATOM 0 H PHE A 56 -3.896 6.740 5.540 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.211 5.238 3.570 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.241 4.951 6.337 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.687 4.006 6.041 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.180 4.521 5.030 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -5.681 2.174 4.497 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.868 2.840 3.808 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.384 0.493 3.288 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.974 0.814 2.937 1.00 0.00 H new ATOM 911 N GLU A 57 -7.232 6.887 5.375 1.00 0.00 N ATOM 912 CA GLU A 57 -8.640 7.171 5.599 1.00 0.00 C ATOM 913 C GLU A 57 -9.282 7.864 4.402 1.00 0.00 C ATOM 914 O GLU A 57 -10.491 8.092 4.388 1.00 0.00 O ATOM 915 CB GLU A 57 -8.803 8.016 6.855 1.00 0.00 C ATOM 916 CG GLU A 57 -8.518 7.244 8.130 1.00 0.00 C ATOM 917 CD GLU A 57 -9.583 6.205 8.426 1.00 0.00 C ATOM 918 OE1 GLU A 57 -9.749 5.264 7.622 1.00 0.00 O ATOM 919 OE2 GLU A 57 -10.257 6.326 9.472 1.00 0.00 O ATOM 0 H GLU A 57 -6.593 7.607 5.714 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.155 6.220 5.732 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.133 8.874 6.799 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.819 8.408 6.893 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.549 6.753 8.045 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.451 7.940 8.966 1.00 0.00 H new ATOM 926 N THR A 58 -8.483 8.189 3.397 1.00 0.00 N ATOM 927 CA THR A 58 -9.001 8.878 2.224 1.00 0.00 C ATOM 928 C THR A 58 -8.738 8.108 0.935 1.00 0.00 C ATOM 929 O THR A 58 -9.283 8.450 -0.114 1.00 0.00 O ATOM 930 CB THR A 58 -8.421 10.297 2.114 1.00 0.00 C ATOM 931 OG1 THR A 58 -6.990 10.249 2.132 1.00 0.00 O ATOM 932 CG2 THR A 58 -8.906 11.143 3.271 1.00 0.00 C ATOM 0 H THR A 58 -7.483 7.989 3.369 1.00 0.00 H new ATOM 0 HA THR A 58 -10.081 8.944 2.357 1.00 0.00 H new ATOM 0 HB THR A 58 -8.755 10.737 1.174 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.696 9.360 2.422 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.491 12.147 3.186 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.994 11.197 3.251 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.582 10.695 4.210 1.00 0.00 H new ATOM 940 N LEU A 59 -7.915 7.065 1.009 1.00 0.00 N ATOM 941 CA LEU A 59 -7.658 6.227 -0.167 1.00 0.00 C ATOM 942 C LEU A 59 -8.961 5.571 -0.602 1.00 0.00 C ATOM 943 O LEU A 59 -9.794 5.214 0.237 1.00 0.00 O ATOM 944 CB LEU A 59 -6.630 5.123 0.113 1.00 0.00 C ATOM 945 CG LEU A 59 -5.462 5.499 1.026 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.484 4.337 1.147 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.761 6.763 0.539 1.00 0.00 C ATOM 0 H LEU A 59 -7.420 6.780 1.854 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.255 6.873 -0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.151 4.275 0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.224 4.784 -0.840 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.862 5.712 2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.659 4.622 1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.997 3.472 1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.095 4.085 0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.936 7.003 1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.375 6.600 -0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.470 7.590 0.526 1.00 0.00 H new ATOM 959 N LYS A 60 -9.147 5.434 -1.902 1.00 0.00 N ATOM 960 CA LYS A 60 -10.324 4.770 -2.440 1.00 0.00 C ATOM 961 C LYS A 60 -10.336 3.295 -2.032 1.00 0.00 C ATOM 962 O LYS A 60 -9.278 2.677 -1.893 1.00 0.00 O ATOM 963 CB LYS A 60 -10.321 4.898 -3.965 1.00 0.00 C ATOM 964 CG LYS A 60 -10.197 6.331 -4.458 1.00 0.00 C ATOM 965 CD LYS A 60 -10.179 6.402 -5.975 1.00 0.00 C ATOM 966 CE LYS A 60 -9.920 7.820 -6.458 1.00 0.00 C ATOM 967 NZ LYS A 60 -8.579 8.314 -6.040 1.00 0.00 N ATOM 0 H LYS A 60 -8.496 5.775 -2.609 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.220 5.243 -2.038 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.495 4.312 -4.368 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.241 4.466 -4.359 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.030 6.921 -4.076 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.284 6.775 -4.062 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.408 5.737 -6.363 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.132 6.050 -6.369 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.996 7.853 -7.545 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.690 8.484 -6.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.442 9.284 -6.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.515 8.307 -5.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.842 7.696 -6.436 1.00 0.00 H new ATOM 981 N PRO A 61 -11.535 2.719 -1.813 1.00 0.00 N ATOM 982 CA PRO A 61 -11.683 1.298 -1.463 1.00 0.00 C ATOM 983 C PRO A 61 -10.964 0.386 -2.450 1.00 0.00 C ATOM 984 O PRO A 61 -10.397 -0.642 -2.070 1.00 0.00 O ATOM 985 CB PRO A 61 -13.194 1.057 -1.542 1.00 0.00 C ATOM 986 CG PRO A 61 -13.831 2.400 -1.382 1.00 0.00 C ATOM 987 CD PRO A 61 -12.832 3.420 -1.873 1.00 0.00 C ATOM 0 HA PRO A 61 -11.252 1.079 -0.486 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.468 0.605 -2.495 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.522 0.373 -0.759 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.757 2.459 -1.955 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.089 2.583 -0.339 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.062 3.745 -2.888 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.832 4.311 -1.245 1.00 0.00 H new ATOM 995 N SER A 62 -10.985 0.783 -3.712 1.00 0.00 N ATOM 996 CA SER A 62 -10.327 0.034 -4.769 1.00 0.00 C ATOM 997 C SER A 62 -8.809 0.093 -4.609 1.00 0.00 C ATOM 998 O SER A 62 -8.107 -0.883 -4.874 1.00 0.00 O ATOM 999 CB SER A 62 -10.760 0.586 -6.126 1.00 0.00 C ATOM 1000 OG SER A 62 -10.799 2.006 -6.107 1.00 0.00 O ATOM 0 H SER A 62 -11.456 1.629 -4.031 1.00 0.00 H new ATOM 0 HA SER A 62 -10.622 -1.013 -4.705 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.069 0.248 -6.898 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.744 0.195 -6.385 1.00 0.00 H new ATOM 0 HG SER A 62 -11.077 2.337 -6.986 1.00 0.00 H new ATOM 1006 N THR A 63 -8.315 1.239 -4.156 1.00 0.00 N ATOM 1007 CA THR A 63 -6.898 1.412 -3.876 1.00 0.00 C ATOM 1008 C THR A 63 -6.479 0.467 -2.763 1.00 0.00 C ATOM 1009 O THR A 63 -5.530 -0.294 -2.914 1.00 0.00 O ATOM 1010 CB THR A 63 -6.591 2.876 -3.480 1.00 0.00 C ATOM 1011 OG1 THR A 63 -7.375 3.743 -4.307 1.00 0.00 O ATOM 1012 CG2 THR A 63 -5.115 3.198 -3.663 1.00 0.00 C ATOM 0 H THR A 63 -8.882 2.067 -3.974 1.00 0.00 H new ATOM 0 HA THR A 63 -6.332 1.180 -4.778 1.00 0.00 H new ATOM 0 HB THR A 63 -6.838 3.018 -2.428 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.881 4.573 -4.471 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.930 4.233 -3.377 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.518 2.536 -3.036 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.838 3.056 -4.708 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.232 0.484 -1.670 1.00 0.00 N ATOM 1021 CA LEU A 64 -6.956 -0.374 -0.523 1.00 0.00 C ATOM 1022 C LEU A 64 -6.946 -1.848 -0.915 1.00 0.00 C ATOM 1023 O LEU A 64 -6.082 -2.603 -0.483 1.00 0.00 O ATOM 1024 CB LEU A 64 -8.001 -0.141 0.572 1.00 0.00 C ATOM 1025 CG LEU A 64 -7.948 1.230 1.244 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -9.127 1.418 2.186 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -6.651 1.390 2.005 1.00 0.00 C ATOM 0 H LEU A 64 -8.046 1.088 -1.553 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.966 -0.115 -0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.992 -0.278 0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.878 -0.907 1.337 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.002 1.991 0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.067 2.401 2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.058 1.339 1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.102 0.649 2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.626 2.371 2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.580 0.616 2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.811 1.298 1.316 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.883 -2.245 -1.759 1.00 0.00 N ATOM 1040 CA ARG A 65 -8.009 -3.646 -2.143 1.00 0.00 C ATOM 1041 C ARG A 65 -6.965 -4.022 -3.184 1.00 0.00 C ATOM 1042 O ARG A 65 -6.746 -5.198 -3.447 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.413 -3.943 -2.667 1.00 0.00 C ATOM 1044 CG ARG A 65 -10.370 -4.528 -1.624 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.877 -5.838 -1.020 1.00 0.00 C ATOM 1046 NE ARG A 65 -10.954 -6.511 -0.295 1.00 0.00 N ATOM 1047 CZ ARG A 65 -10.865 -7.733 0.224 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -9.706 -8.379 0.244 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -11.938 -8.295 0.762 1.00 0.00 N ATOM 0 H ARG A 65 -8.566 -1.623 -2.191 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.838 -4.251 -1.253 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.843 -3.022 -3.060 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.336 -4.640 -3.502 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.515 -3.800 -0.826 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.343 -4.693 -2.086 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.501 -6.489 -1.809 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.044 -5.642 -0.344 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.834 -6.009 -0.179 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.870 -7.939 -0.141 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.651 -9.315 0.645 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -12.825 -7.791 0.776 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.877 -9.231 1.162 1.00 0.00 H new ATOM 1063 N GLU A 66 -6.331 -3.022 -3.778 1.00 0.00 N ATOM 1064 CA GLU A 66 -5.227 -3.252 -4.685 1.00 0.00 C ATOM 1065 C GLU A 66 -3.930 -3.340 -3.891 1.00 0.00 C ATOM 1066 O GLU A 66 -3.073 -4.174 -4.169 1.00 0.00 O ATOM 1067 CB GLU A 66 -5.168 -2.123 -5.715 1.00 0.00 C ATOM 1068 CG GLU A 66 -3.951 -2.156 -6.623 1.00 0.00 C ATOM 1069 CD GLU A 66 -4.030 -3.243 -7.675 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -3.760 -4.419 -7.358 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -4.372 -2.919 -8.835 1.00 0.00 O ATOM 0 H GLU A 66 -6.568 -2.039 -3.644 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.370 -4.193 -5.217 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.066 -2.165 -6.332 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.186 -1.168 -5.189 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.844 -1.189 -7.114 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.057 -2.307 -6.018 1.00 0.00 H new ATOM 1078 N LEU A 67 -3.822 -2.500 -2.867 1.00 0.00 N ATOM 1079 CA LEU A 67 -2.657 -2.482 -2.008 1.00 0.00 C ATOM 1080 C LEU A 67 -2.607 -3.782 -1.216 1.00 0.00 C ATOM 1081 O LEU A 67 -1.610 -4.502 -1.228 1.00 0.00 O ATOM 1082 CB LEU A 67 -2.753 -1.288 -1.049 1.00 0.00 C ATOM 1083 CG LEU A 67 -2.988 0.066 -1.717 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.091 1.165 -0.674 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -1.888 0.373 -2.712 1.00 0.00 C ATOM 0 H LEU A 67 -4.538 -1.819 -2.615 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.751 -2.387 -2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.564 -1.473 -0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.832 -1.234 -0.469 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.932 0.019 -2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.258 2.122 -1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.923 0.953 -0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.165 1.210 -0.100 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.076 1.342 -3.175 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.928 0.398 -2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.867 -0.399 -3.481 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.727 -4.083 -0.571 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.855 -5.264 0.275 1.00 0.00 C ATOM 1099 C GLU A 68 -3.682 -6.550 -0.531 1.00 0.00 C ATOM 1100 O GLU A 68 -2.855 -7.398 -0.185 1.00 0.00 O ATOM 1101 CB GLU A 68 -5.222 -5.271 0.956 1.00 0.00 C ATOM 1102 CG GLU A 68 -5.435 -6.470 1.851 1.00 0.00 C ATOM 1103 CD GLU A 68 -6.817 -7.061 1.702 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -7.179 -7.457 0.573 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -7.540 -7.156 2.717 1.00 0.00 O ATOM 0 H GLU A 68 -4.573 -3.515 -0.619 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.067 -5.222 1.027 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.331 -4.361 1.546 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.001 -5.252 0.194 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.690 -7.231 1.618 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.278 -6.178 2.889 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.473 -6.697 -1.596 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.402 -7.892 -2.445 1.00 0.00 C ATOM 1114 C ARG A 69 -2.988 -8.123 -2.972 1.00 0.00 C ATOM 1115 O ARG A 69 -2.536 -9.264 -3.107 1.00 0.00 O ATOM 1116 CB ARG A 69 -5.374 -7.785 -3.615 1.00 0.00 C ATOM 1117 CG ARG A 69 -5.430 -9.043 -4.453 1.00 0.00 C ATOM 1118 CD ARG A 69 -6.120 -8.795 -5.782 1.00 0.00 C ATOM 1119 NE ARG A 69 -5.643 -7.589 -6.461 1.00 0.00 N ATOM 1120 CZ ARG A 69 -6.318 -6.998 -7.446 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -7.447 -7.542 -7.889 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -5.868 -5.876 -7.991 1.00 0.00 N ATOM 0 H ARG A 69 -5.166 -6.009 -1.891 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.681 -8.744 -1.825 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.371 -7.565 -3.233 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.082 -6.946 -4.247 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.419 -9.409 -4.630 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.960 -9.823 -3.906 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.964 -9.656 -6.432 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -7.194 -8.711 -5.617 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.755 -7.183 -6.167 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.793 -8.408 -7.475 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.968 -7.094 -8.643 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.999 -5.459 -7.657 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.391 -5.430 -8.745 1.00 0.00 H new ATOM 1136 N TYR A 70 -2.286 -7.044 -3.252 1.00 0.00 N ATOM 1137 CA TYR A 70 -0.946 -7.141 -3.806 1.00 0.00 C ATOM 1138 C TYR A 70 0.065 -7.563 -2.743 1.00 0.00 C ATOM 1139 O TYR A 70 0.875 -8.454 -2.973 1.00 0.00 O ATOM 1140 CB TYR A 70 -0.528 -5.812 -4.438 1.00 0.00 C ATOM 1141 CG TYR A 70 0.951 -5.728 -4.726 1.00 0.00 C ATOM 1142 CD1 TYR A 70 1.507 -6.347 -5.838 1.00 0.00 C ATOM 1143 CD2 TYR A 70 1.792 -5.047 -3.862 1.00 0.00 C ATOM 1144 CE1 TYR A 70 2.863 -6.286 -6.080 1.00 0.00 C ATOM 1145 CE2 TYR A 70 3.150 -4.985 -4.093 1.00 0.00 C ATOM 1146 CZ TYR A 70 3.682 -5.609 -5.206 1.00 0.00 C ATOM 1147 OH TYR A 70 5.034 -5.561 -5.445 1.00 0.00 O ATOM 0 H TYR A 70 -2.618 -6.091 -3.106 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.962 -7.908 -4.580 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -1.081 -5.669 -5.367 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.808 -4.996 -3.771 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.868 -6.884 -6.523 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.378 -4.557 -2.993 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.280 -6.768 -6.952 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.794 -4.452 -3.409 1.00 0.00 H new ATOM 0 HH TYR A 70 5.440 -4.864 -4.888 1.00 0.00 H new ATOM 1157 N VAL A 71 0.024 -6.932 -1.584 1.00 0.00 N ATOM 1158 CA VAL A 71 0.992 -7.230 -0.537 1.00 0.00 C ATOM 1159 C VAL A 71 0.789 -8.629 0.023 1.00 0.00 C ATOM 1160 O VAL A 71 1.754 -9.352 0.243 1.00 0.00 O ATOM 1161 CB VAL A 71 0.932 -6.208 0.606 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.208 -4.818 0.087 1.00 0.00 C ATOM 1163 CG2 VAL A 71 -0.406 -6.249 1.307 1.00 0.00 C ATOM 0 H VAL A 71 -0.661 -6.216 -1.342 1.00 0.00 H new ATOM 0 HA VAL A 71 1.977 -7.172 -1.001 1.00 0.00 H new ATOM 0 HB VAL A 71 1.702 -6.472 1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.161 -4.106 0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.200 -4.788 -0.363 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.462 -4.555 -0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.418 -5.514 2.112 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.198 -6.019 0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.569 -7.244 1.722 1.00 0.00 H new ATOM 1173 N THR A 72 -0.465 -9.011 0.232 1.00 0.00 N ATOM 1174 CA THR A 72 -0.787 -10.324 0.771 1.00 0.00 C ATOM 1175 C THR A 72 -0.276 -11.426 -0.163 1.00 0.00 C ATOM 1176 O THR A 72 0.029 -12.536 0.277 1.00 0.00 O ATOM 1177 CB THR A 72 -2.309 -10.469 1.025 1.00 0.00 C ATOM 1178 OG1 THR A 72 -2.569 -11.557 1.922 1.00 0.00 O ATOM 1179 CG2 THR A 72 -3.068 -10.695 -0.267 1.00 0.00 C ATOM 0 H THR A 72 -1.278 -8.427 0.035 1.00 0.00 H new ATOM 0 HA THR A 72 -0.284 -10.429 1.732 1.00 0.00 H new ATOM 0 HB THR A 72 -2.652 -9.536 1.473 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.505 -11.526 2.211 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.132 -10.792 -0.052 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.909 -9.849 -0.935 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.710 -11.607 -0.745 1.00 0.00 H new ATOM 1187 N SER A 73 -0.153 -11.100 -1.450 1.00 0.00 N ATOM 1188 CA SER A 73 0.417 -12.025 -2.421 1.00 0.00 C ATOM 1189 C SER A 73 1.908 -12.231 -2.144 1.00 0.00 C ATOM 1190 O SER A 73 2.469 -13.284 -2.428 1.00 0.00 O ATOM 1191 CB SER A 73 0.217 -11.497 -3.849 1.00 0.00 C ATOM 1192 OG SER A 73 1.258 -10.610 -4.233 1.00 0.00 O ATOM 0 H SER A 73 -0.441 -10.203 -1.841 1.00 0.00 H new ATOM 0 HA SER A 73 -0.096 -12.982 -2.327 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.178 -12.335 -4.545 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.742 -10.983 -3.916 1.00 0.00 H new ATOM 0 HG SER A 73 0.984 -9.687 -4.053 1.00 0.00 H new ATOM 1198 N CYS A 74 2.540 -11.212 -1.578 1.00 0.00 N ATOM 1199 CA CYS A 74 3.969 -11.243 -1.305 1.00 0.00 C ATOM 1200 C CYS A 74 4.252 -11.824 0.082 1.00 0.00 C ATOM 1201 O CYS A 74 5.071 -12.733 0.226 1.00 0.00 O ATOM 1202 CB CYS A 74 4.554 -9.831 -1.436 1.00 0.00 C ATOM 1203 SG CYS A 74 6.338 -9.735 -1.150 1.00 0.00 S ATOM 0 H CYS A 74 2.080 -10.346 -1.297 1.00 0.00 H new ATOM 0 HA CYS A 74 4.449 -11.892 -2.037 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.337 -9.452 -2.435 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.048 -9.174 -0.728 1.00 0.00 H new ATOM 0 HG CYS A 74 6.731 -10.792 -0.503 1.00 0.00 H new ATOM 1209 N LEU A 75 3.563 -11.296 1.093 1.00 0.00 N ATOM 1210 CA LEU A 75 3.708 -11.762 2.475 1.00 0.00 C ATOM 1211 C LEU A 75 3.491 -13.269 2.581 1.00 0.00 C ATOM 1212 O LEU A 75 4.162 -13.949 3.358 1.00 0.00 O ATOM 1213 CB LEU A 75 2.698 -11.047 3.377 1.00 0.00 C ATOM 1214 CG LEU A 75 2.445 -9.589 3.039 1.00 0.00 C ATOM 1215 CD1 LEU A 75 1.247 -9.080 3.804 1.00 0.00 C ATOM 1216 CD2 LEU A 75 3.673 -8.763 3.354 1.00 0.00 C ATOM 0 H LEU A 75 2.891 -10.537 0.980 1.00 0.00 H new ATOM 0 HA LEU A 75 4.724 -11.533 2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.750 -11.583 3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.049 -11.109 4.407 1.00 0.00 H new ATOM 0 HG LEU A 75 2.235 -9.501 1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.074 -8.033 3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.368 -9.667 3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.433 -9.172 4.874 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.482 -7.718 3.108 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.907 -8.849 4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.516 -9.126 2.766 1.00 0.00 H new ATOM 1228 N ARG A 76 2.557 -13.786 1.792 1.00 0.00 N ATOM 1229 CA ARG A 76 2.186 -15.194 1.860 1.00 0.00 C ATOM 1230 C ARG A 76 2.903 -16.023 0.795 1.00 0.00 C ATOM 1231 O ARG A 76 2.478 -17.134 0.468 1.00 0.00 O ATOM 1232 CB ARG A 76 0.676 -15.331 1.715 1.00 0.00 C ATOM 1233 CG ARG A 76 -0.082 -14.772 2.903 1.00 0.00 C ATOM 1234 CD ARG A 76 -1.493 -14.377 2.521 1.00 0.00 C ATOM 1235 NE ARG A 76 -2.248 -15.473 1.922 1.00 0.00 N ATOM 1236 CZ ARG A 76 -3.374 -15.299 1.233 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -3.867 -14.076 1.063 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -4.001 -16.344 0.712 1.00 0.00 N ATOM 0 H ARG A 76 2.041 -13.249 1.095 1.00 0.00 H new ATOM 0 HA ARG A 76 2.496 -15.580 2.831 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.354 -14.816 0.810 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.422 -16.384 1.590 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.114 -15.516 3.699 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.446 -13.904 3.298 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.018 -14.023 3.408 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.454 -13.544 1.820 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.894 -16.423 2.037 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.383 -13.271 1.460 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.730 -13.943 0.535 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.621 -17.282 0.839 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.864 -16.210 0.184 1.00 0.00 H new ATOM 1443 N LEU B 204 0.883 6.341 6.249 1.00 0.00 N ATOM 1444 CA LEU B 204 2.003 5.480 5.903 1.00 0.00 C ATOM 1445 C LEU B 204 3.080 6.274 5.178 1.00 0.00 C ATOM 1446 O LEU B 204 2.960 6.569 3.990 1.00 0.00 O ATOM 1447 CB LEU B 204 1.560 4.307 5.022 1.00 0.00 C ATOM 1448 CG LEU B 204 2.189 2.944 5.360 1.00 0.00 C ATOM 1449 CD1 LEU B 204 1.891 1.926 4.269 1.00 0.00 C ATOM 1450 CD2 LEU B 204 3.694 3.052 5.577 1.00 0.00 C ATOM 0 HA LEU B 204 2.405 5.081 6.834 1.00 0.00 H new ATOM 0 HB2 LEU B 204 0.476 4.214 5.091 1.00 0.00 H new ATOM 0 HB3 LEU B 204 1.794 4.547 3.985 1.00 0.00 H new ATOM 0 HG LEU B 204 1.739 2.606 6.294 1.00 0.00 H new ATOM 0 HD11 LEU B 204 2.345 0.970 4.529 1.00 0.00 H new ATOM 0 HD12 LEU B 204 0.812 1.801 4.173 1.00 0.00 H new ATOM 0 HD13 LEU B 204 2.301 2.277 3.322 1.00 0.00 H new ATOM 0 HD21 LEU B 204 4.099 2.068 5.813 1.00 0.00 H new ATOM 0 HD22 LEU B 204 4.166 3.431 4.670 1.00 0.00 H new ATOM 0 HD23 LEU B 204 3.894 3.735 6.403 1.00 0.00 H new ATOM 1462 N LYS B 205 4.122 6.627 5.906 1.00 0.00 N ATOM 1463 CA LYS B 205 5.292 7.238 5.307 1.00 0.00 C ATOM 1464 C LYS B 205 6.249 6.154 4.852 1.00 0.00 C ATOM 1465 O LYS B 205 7.199 5.826 5.568 1.00 0.00 O ATOM 1466 CB LYS B 205 6.007 8.146 6.309 1.00 0.00 C ATOM 1467 CG LYS B 205 5.332 9.481 6.538 1.00 0.00 C ATOM 1468 CD LYS B 205 5.338 10.327 5.282 1.00 0.00 C ATOM 1469 CE LYS B 205 5.064 11.782 5.600 1.00 0.00 C ATOM 1470 NZ LYS B 205 3.842 11.954 6.436 1.00 0.00 N ATOM 0 H LYS B 205 4.182 6.500 6.916 1.00 0.00 H new ATOM 0 HA LYS B 205 4.969 7.839 4.457 1.00 0.00 H new ATOM 0 HB2 LYS B 205 6.084 7.624 7.263 1.00 0.00 H new ATOM 0 HB3 LYS B 205 7.024 8.323 5.959 1.00 0.00 H new ATOM 0 HG2 LYS B 205 4.305 9.319 6.865 1.00 0.00 H new ATOM 0 HG3 LYS B 205 5.841 10.015 7.340 1.00 0.00 H new ATOM 0 HD2 LYS B 205 6.303 10.236 4.784 1.00 0.00 H new ATOM 0 HD3 LYS B 205 4.585 9.956 4.587 1.00 0.00 H new ATOM 0 HE2 LYS B 205 5.922 12.206 6.122 1.00 0.00 H new ATOM 0 HE3 LYS B 205 4.948 12.340 4.671 1.00 0.00 H new ATOM 0 HZ1 LYS B 205 3.547 12.951 6.419 1.00 0.00 H new ATOM 0 HZ2 LYS B 205 3.076 11.360 6.058 1.00 0.00 H new ATOM 0 HZ3 LYS B 205 4.049 11.671 7.415 1.00 0.00 H new ATOM 1484 N ILE B 206 6.001 5.570 3.686 1.00 0.00 N ATOM 1485 CA ILE B 206 6.892 4.531 3.212 1.00 0.00 C ATOM 1486 C ILE B 206 8.201 5.157 2.750 1.00 0.00 C ATOM 1487 O ILE B 206 8.264 5.784 1.688 1.00 0.00 O ATOM 1488 CB ILE B 206 6.341 3.672 2.047 1.00 0.00 C ATOM 1489 CG1 ILE B 206 4.831 3.488 2.070 1.00 0.00 C ATOM 1490 CG2 ILE B 206 6.973 2.304 2.132 1.00 0.00 C ATOM 1491 CD1 ILE B 206 4.293 2.831 0.812 1.00 0.00 C ATOM 0 H ILE B 206 5.217 5.791 3.073 1.00 0.00 H new ATOM 0 HA ILE B 206 7.022 3.861 4.062 1.00 0.00 H new ATOM 0 HB ILE B 206 6.585 4.201 1.126 1.00 0.00 H new ATOM 0 HG12 ILE B 206 4.558 2.883 2.934 1.00 0.00 H new ATOM 0 HG13 ILE B 206 4.354 4.460 2.198 1.00 0.00 H new ATOM 0 HG21 ILE B 206 6.600 1.680 1.320 1.00 0.00 H new ATOM 0 HG22 ILE B 206 8.056 2.398 2.049 1.00 0.00 H new ATOM 0 HG23 ILE B 206 6.721 1.845 3.088 1.00 0.00 H new ATOM 0 HD11 ILE B 206 3.211 2.728 0.890 1.00 0.00 H new ATOM 0 HD12 ILE B 206 4.537 3.447 -0.053 1.00 0.00 H new ATOM 0 HD13 ILE B 206 4.744 1.846 0.695 1.00 0.00 H new ATOM 1503 N THR B 207 9.233 5.015 3.560 1.00 0.00 N ATOM 1504 CA THR B 207 10.559 5.456 3.185 1.00 0.00 C ATOM 1505 C THR B 207 11.291 4.330 2.464 1.00 0.00 C ATOM 1506 O THR B 207 11.619 3.305 3.063 1.00 0.00 O ATOM 1507 CB THR B 207 11.357 5.916 4.419 1.00 0.00 C ATOM 1508 OG1 THR B 207 11.103 5.036 5.524 1.00 0.00 O ATOM 1509 CG2 THR B 207 10.984 7.341 4.804 1.00 0.00 C ATOM 0 H THR B 207 9.175 4.595 4.488 1.00 0.00 H new ATOM 0 HA THR B 207 10.465 6.309 2.512 1.00 0.00 H new ATOM 0 HB THR B 207 12.418 5.889 4.169 1.00 0.00 H new ATOM 0 HG1 THR B 207 11.187 4.106 5.227 1.00 0.00 H new ATOM 0 HG21 THR B 207 11.560 7.644 5.678 1.00 0.00 H new ATOM 0 HG22 THR B 207 11.204 8.012 3.974 1.00 0.00 H new ATOM 0 HG23 THR B 207 9.920 7.388 5.036 1.00 0.00 H new ATOM 1517 N LYS B 208 11.514 4.512 1.170 1.00 0.00 N ATOM 1518 CA LYS B 208 12.114 3.473 0.345 1.00 0.00 C ATOM 1519 C LYS B 208 12.695 4.080 -0.930 1.00 0.00 C ATOM 1520 O LYS B 208 13.061 5.255 -0.932 1.00 0.00 O ATOM 1521 CB LYS B 208 11.086 2.373 0.006 1.00 0.00 C ATOM 1522 CG LYS B 208 10.025 2.779 -1.012 1.00 0.00 C ATOM 1523 CD LYS B 208 8.967 3.684 -0.421 1.00 0.00 C ATOM 1524 CE LYS B 208 8.719 4.889 -1.301 1.00 0.00 C ATOM 1525 NZ LYS B 208 9.904 5.777 -1.369 1.00 0.00 N ATOM 0 H LYS B 208 11.288 5.371 0.668 1.00 0.00 H new ATOM 0 HA LYS B 208 12.923 3.011 0.911 1.00 0.00 H new ATOM 0 HB2 LYS B 208 11.620 1.502 -0.374 1.00 0.00 H new ATOM 0 HB3 LYS B 208 10.588 2.065 0.925 1.00 0.00 H new ATOM 0 HG2 LYS B 208 10.505 3.286 -1.849 1.00 0.00 H new ATOM 0 HG3 LYS B 208 9.549 1.884 -1.412 1.00 0.00 H new ATOM 0 HD2 LYS B 208 8.039 3.127 -0.294 1.00 0.00 H new ATOM 0 HD3 LYS B 208 9.279 4.013 0.570 1.00 0.00 H new ATOM 0 HE2 LYS B 208 8.456 4.557 -2.305 1.00 0.00 H new ATOM 0 HE3 LYS B 208 7.867 5.450 -0.917 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 9.682 6.608 -1.954 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 10.161 6.087 -0.410 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 10.702 5.260 -1.791 1.00 0.00 H new