USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 376 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 327 CYS SG : rot -171:sc= -1.18 USER MOD Set 1.2: A 330 CYS SG : rot -51:sc= -0.194! USER MOD Set 1.3: A 353 CYS SG : rot -14:sc= -1.07 USER MOD Set 1.4: A 356 CYS SG : rot 125:sc= 0.253 USER MOD Set 2.1: A 312 CYS SG : rot -141:sc= -1.21 USER MOD Set 2.2: A 315 CYS SG : rot 180:sc= -0.109 USER MOD Set 2.3: A 335 HIS : no HD1:sc= -12.5! C(o=-15!,f=-20!) USER MOD Set 2.4: A 338 CYS SG : rot 134:sc= -1.67 USER MOD Single : A 310 TYR OH : rot 180:sc= 0 USER MOD Single : A 317 SER OG : rot 180:sc= 0 USER MOD Single : A 319 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 333 SER OG : rot -160:sc= -2.31! USER MOD Single : A 334 TYR OH : rot 180:sc= 0 USER MOD Single : A 336 THR OG1 : rot -129:sc= -3.7! USER MOD Single : A 344 HIS :FLIP no HD1:sc= -0.919 F(o=-1.8,f=-0.92) USER MOD Single : A 348 LYS NZ :NH3+ 154:sc= -0.188 (180deg=-1.22!) USER MOD Single : A 355 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 359 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 309 4.222 12.886 3.730 1.00 0.00 N ATOM 42 CA LEU A 309 5.398 12.485 2.906 1.00 0.00 C ATOM 43 C LEU A 309 4.983 11.383 1.929 1.00 0.00 C ATOM 44 O LEU A 309 5.436 11.341 0.802 1.00 0.00 O ATOM 45 CB LEU A 309 6.509 11.965 3.821 1.00 0.00 C ATOM 46 CG LEU A 309 7.758 11.658 2.990 1.00 0.00 C ATOM 47 CD1 LEU A 309 8.358 12.961 2.455 1.00 0.00 C ATOM 48 CD2 LEU A 309 8.790 10.947 3.868 1.00 0.00 C ATOM 0 HA LEU A 309 5.762 13.347 2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 309 6.742 12.707 4.585 1.00 0.00 H new ATOM 0 HB3 LEU A 309 6.176 11.066 4.340 1.00 0.00 H new ATOM 0 HG LEU A 309 7.484 11.017 2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 309 9.246 12.737 1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 309 7.625 13.469 1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 309 8.631 13.606 3.290 1.00 0.00 H new ATOM 0 HD21 LEU A 309 9.680 10.728 3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 309 9.059 11.590 4.706 1.00 0.00 H new ATOM 0 HD23 LEU A 309 8.367 10.016 4.246 1.00 0.00 H new ATOM 60 N TYR A 310 4.128 10.490 2.354 1.00 0.00 N ATOM 61 CA TYR A 310 3.683 9.387 1.456 1.00 0.00 C ATOM 62 C TYR A 310 2.192 9.521 1.151 1.00 0.00 C ATOM 63 O TYR A 310 1.380 9.722 2.033 1.00 0.00 O ATOM 64 CB TYR A 310 3.937 8.039 2.133 1.00 0.00 C ATOM 65 CG TYR A 310 5.366 7.616 1.898 1.00 0.00 C ATOM 66 CD1 TYR A 310 5.721 7.021 0.681 1.00 0.00 C ATOM 67 CD2 TYR A 310 6.332 7.814 2.890 1.00 0.00 C ATOM 68 CE1 TYR A 310 7.042 6.623 0.457 1.00 0.00 C ATOM 69 CE2 TYR A 310 7.656 7.415 2.665 1.00 0.00 C ATOM 70 CZ TYR A 310 8.010 6.820 1.448 1.00 0.00 C ATOM 71 OH TYR A 310 9.315 6.426 1.227 1.00 0.00 O ATOM 0 H TYR A 310 3.718 10.478 3.288 1.00 0.00 H new ATOM 0 HA TYR A 310 4.246 9.446 0.525 1.00 0.00 H new ATOM 0 HB2 TYR A 310 3.741 8.115 3.203 1.00 0.00 H new ATOM 0 HB3 TYR A 310 3.255 7.287 1.736 1.00 0.00 H new ATOM 0 HD1 TYR A 310 4.974 6.870 -0.084 1.00 0.00 H new ATOM 0 HD2 TYR A 310 6.058 8.274 3.828 1.00 0.00 H new ATOM 0 HE1 TYR A 310 7.316 6.163 -0.481 1.00 0.00 H new ATOM 0 HE2 TYR A 310 8.403 7.566 3.430 1.00 0.00 H new ATOM 0 HH TYR A 310 9.858 6.636 2.015 1.00 0.00 H new ATOM 81 N VAL A 311 1.828 9.391 -0.096 1.00 0.00 N ATOM 82 CA VAL A 311 0.393 9.488 -0.479 1.00 0.00 C ATOM 83 C VAL A 311 0.039 8.279 -1.344 1.00 0.00 C ATOM 84 O VAL A 311 0.900 7.661 -1.938 1.00 0.00 O ATOM 85 CB VAL A 311 0.154 10.776 -1.271 1.00 0.00 C ATOM 86 CG1 VAL A 311 0.660 11.973 -0.466 1.00 0.00 C ATOM 87 CG2 VAL A 311 0.903 10.703 -2.603 1.00 0.00 C ATOM 0 H VAL A 311 2.469 9.220 -0.871 1.00 0.00 H new ATOM 0 HA VAL A 311 -0.231 9.504 0.415 1.00 0.00 H new ATOM 0 HB VAL A 311 -0.913 10.892 -1.460 1.00 0.00 H new ATOM 0 HG11 VAL A 311 0.489 12.890 -1.031 1.00 0.00 H new ATOM 0 HG12 VAL A 311 0.125 12.026 0.482 1.00 0.00 H new ATOM 0 HG13 VAL A 311 1.727 11.858 -0.275 1.00 0.00 H new ATOM 0 HG21 VAL A 311 0.733 11.620 -3.167 1.00 0.00 H new ATOM 0 HG22 VAL A 311 1.970 10.586 -2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 311 0.540 9.851 -3.178 1.00 0.00 H new ATOM 97 N CYS A 312 -1.214 7.930 -1.422 1.00 0.00 N ATOM 98 CA CYS A 312 -1.599 6.754 -2.252 1.00 0.00 C ATOM 99 C CYS A 312 -1.656 7.175 -3.719 1.00 0.00 C ATOM 100 O CYS A 312 -2.397 8.058 -4.092 1.00 0.00 O ATOM 101 CB CYS A 312 -2.970 6.244 -1.804 1.00 0.00 C ATOM 102 SG CYS A 312 -3.616 5.074 -3.026 1.00 0.00 S ATOM 0 H CYS A 312 -1.984 8.404 -0.951 1.00 0.00 H new ATOM 0 HA CYS A 312 -0.864 5.958 -2.132 1.00 0.00 H new ATOM 0 HB2 CYS A 312 -2.888 5.760 -0.831 1.00 0.00 H new ATOM 0 HB3 CYS A 312 -3.659 7.080 -1.687 1.00 0.00 H new ATOM 0 HG CYS A 312 -4.897 5.250 -3.161 1.00 0.00 H new ATOM 107 N LEU A 313 -0.876 6.553 -4.555 1.00 0.00 N ATOM 108 CA LEU A 313 -0.890 6.930 -5.991 1.00 0.00 C ATOM 109 C LEU A 313 -2.305 6.752 -6.542 1.00 0.00 C ATOM 110 O LEU A 313 -2.768 7.528 -7.354 1.00 0.00 O ATOM 111 CB LEU A 313 0.076 6.026 -6.757 1.00 0.00 C ATOM 112 CG LEU A 313 1.475 6.133 -6.146 1.00 0.00 C ATOM 113 CD1 LEU A 313 2.458 5.301 -6.970 1.00 0.00 C ATOM 114 CD2 LEU A 313 1.924 7.596 -6.147 1.00 0.00 C ATOM 0 H LEU A 313 -0.232 5.802 -4.306 1.00 0.00 H new ATOM 0 HA LEU A 313 -0.583 7.970 -6.105 1.00 0.00 H new ATOM 0 HB2 LEU A 313 -0.270 4.993 -6.720 1.00 0.00 H new ATOM 0 HB3 LEU A 313 0.104 6.315 -7.808 1.00 0.00 H new ATOM 0 HG LEU A 313 1.451 5.760 -5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 313 3.454 5.378 -6.534 1.00 0.00 H new ATOM 0 HD12 LEU A 313 2.141 4.258 -6.970 1.00 0.00 H new ATOM 0 HD13 LEU A 313 2.480 5.673 -7.994 1.00 0.00 H new ATOM 0 HD21 LEU A 313 2.920 7.671 -5.712 1.00 0.00 H new ATOM 0 HD22 LEU A 313 1.946 7.969 -7.171 1.00 0.00 H new ATOM 0 HD23 LEU A 313 1.225 8.191 -5.559 1.00 0.00 H new ATOM 126 N LEU A 314 -2.993 5.732 -6.109 1.00 0.00 N ATOM 127 CA LEU A 314 -4.371 5.498 -6.608 1.00 0.00 C ATOM 128 C LEU A 314 -5.313 6.601 -6.102 1.00 0.00 C ATOM 129 O LEU A 314 -6.202 7.031 -6.810 1.00 0.00 O ATOM 130 CB LEU A 314 -4.847 4.120 -6.129 1.00 0.00 C ATOM 131 CG LEU A 314 -3.846 3.033 -6.559 1.00 0.00 C ATOM 132 CD1 LEU A 314 -4.487 1.655 -6.398 1.00 0.00 C ATOM 133 CD2 LEU A 314 -3.446 3.219 -8.027 1.00 0.00 C ATOM 0 H LEU A 314 -2.657 5.050 -5.429 1.00 0.00 H new ATOM 0 HA LEU A 314 -4.377 5.523 -7.698 1.00 0.00 H new ATOM 0 HB2 LEU A 314 -4.951 4.120 -5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 314 -5.831 3.903 -6.544 1.00 0.00 H new ATOM 0 HG LEU A 314 -2.959 3.114 -5.931 1.00 0.00 H new ATOM 0 HD11 LEU A 314 -3.777 0.886 -6.703 1.00 0.00 H new ATOM 0 HD12 LEU A 314 -4.763 1.502 -5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 314 -5.379 1.593 -7.022 1.00 0.00 H new ATOM 0 HD21 LEU A 314 -2.738 2.441 -8.313 1.00 0.00 H new ATOM 0 HD22 LEU A 314 -4.333 3.151 -8.657 1.00 0.00 H new ATOM 0 HD23 LEU A 314 -2.982 4.197 -8.157 1.00 0.00 H new ATOM 145 N CYS A 315 -5.121 7.075 -4.897 1.00 0.00 N ATOM 146 CA CYS A 315 -6.005 8.164 -4.372 1.00 0.00 C ATOM 147 C CYS A 315 -5.214 9.470 -4.295 1.00 0.00 C ATOM 148 O CYS A 315 -5.559 10.457 -4.912 1.00 0.00 O ATOM 149 CB CYS A 315 -6.508 7.814 -2.969 1.00 0.00 C ATOM 150 SG CYS A 315 -7.245 6.161 -2.966 1.00 0.00 S ATOM 0 H CYS A 315 -4.394 6.758 -4.255 1.00 0.00 H new ATOM 0 HA CYS A 315 -6.855 8.275 -5.045 1.00 0.00 H new ATOM 0 HB2 CYS A 315 -5.683 7.854 -2.258 1.00 0.00 H new ATOM 0 HB3 CYS A 315 -7.244 8.549 -2.644 1.00 0.00 H new ATOM 0 HG CYS A 315 -7.666 5.876 -1.769 1.00 0.00 H new ATOM 155 N GLY A 316 -4.154 9.475 -3.536 1.00 0.00 N ATOM 156 CA GLY A 316 -3.328 10.707 -3.405 1.00 0.00 C ATOM 157 C GLY A 316 -3.831 11.542 -2.227 1.00 0.00 C ATOM 158 O GLY A 316 -3.599 12.734 -2.159 1.00 0.00 O ATOM 0 H GLY A 316 -3.823 8.674 -2.998 1.00 0.00 H new ATOM 0 HA2 GLY A 316 -2.282 10.441 -3.254 1.00 0.00 H new ATOM 0 HA3 GLY A 316 -3.379 11.290 -4.325 1.00 0.00 H new ATOM 162 N SER A 317 -4.519 10.927 -1.299 1.00 0.00 N ATOM 163 CA SER A 317 -5.040 11.686 -0.124 1.00 0.00 C ATOM 164 C SER A 317 -4.371 11.183 1.158 1.00 0.00 C ATOM 165 O SER A 317 -4.271 9.999 1.395 1.00 0.00 O ATOM 166 CB SER A 317 -6.550 11.478 -0.022 1.00 0.00 C ATOM 167 OG SER A 317 -7.083 12.373 0.946 1.00 0.00 O ATOM 0 H SER A 317 -4.742 9.932 -1.305 1.00 0.00 H new ATOM 0 HA SER A 317 -4.820 12.746 -0.251 1.00 0.00 H new ATOM 0 HB2 SER A 317 -7.019 11.651 -0.991 1.00 0.00 H new ATOM 0 HB3 SER A 317 -6.769 10.448 0.259 1.00 0.00 H new ATOM 0 HG SER A 317 -8.052 12.243 1.013 1.00 0.00 H new ATOM 173 N GLY A 318 -3.912 12.080 1.987 1.00 0.00 N ATOM 174 CA GLY A 318 -3.249 11.664 3.258 1.00 0.00 C ATOM 175 C GLY A 318 -4.260 10.992 4.193 1.00 0.00 C ATOM 176 O GLY A 318 -3.922 10.107 4.950 1.00 0.00 O ATOM 0 H GLY A 318 -3.967 13.088 1.839 1.00 0.00 H new ATOM 0 HA2 GLY A 318 -2.432 10.976 3.041 1.00 0.00 H new ATOM 0 HA3 GLY A 318 -2.812 12.533 3.749 1.00 0.00 H new ATOM 180 N ASN A 319 -5.496 11.408 4.165 1.00 0.00 N ATOM 181 CA ASN A 319 -6.503 10.785 5.074 1.00 0.00 C ATOM 182 C ASN A 319 -6.519 9.269 4.875 1.00 0.00 C ATOM 183 O ASN A 319 -6.650 8.512 5.815 1.00 0.00 O ATOM 184 CB ASN A 319 -7.890 11.353 4.771 1.00 0.00 C ATOM 185 CG ASN A 319 -8.870 10.907 5.858 1.00 0.00 C ATOM 186 OD1 ASN A 319 -8.892 11.463 6.938 1.00 0.00 O ATOM 187 ND2 ASN A 319 -9.680 9.913 5.618 1.00 0.00 N ATOM 0 H ASN A 319 -5.852 12.146 3.558 1.00 0.00 H new ATOM 0 HA ASN A 319 -6.235 11.008 6.107 1.00 0.00 H new ATOM 0 HB2 ASN A 319 -7.848 12.441 4.728 1.00 0.00 H new ATOM 0 HB3 ASN A 319 -8.231 11.008 3.795 1.00 0.00 H new ATOM 0 HD21 ASN A 319 -10.333 9.602 6.337 1.00 0.00 H new ATOM 0 HD22 ASN A 319 -9.661 9.447 4.711 1.00 0.00 H new ATOM 194 N ASP A 320 -6.381 8.820 3.662 1.00 0.00 N ATOM 195 CA ASP A 320 -6.382 7.357 3.403 1.00 0.00 C ATOM 196 C ASP A 320 -5.061 6.766 3.901 1.00 0.00 C ATOM 197 O ASP A 320 -4.852 5.569 3.885 1.00 0.00 O ATOM 198 CB ASP A 320 -6.542 7.115 1.902 1.00 0.00 C ATOM 199 CG ASP A 320 -5.349 7.705 1.146 1.00 0.00 C ATOM 200 OD1 ASP A 320 -4.270 7.741 1.711 1.00 0.00 O ATOM 201 OD2 ASP A 320 -5.534 8.098 0.005 1.00 0.00 O ATOM 0 H ASP A 320 -6.267 9.406 2.835 1.00 0.00 H new ATOM 0 HA ASP A 320 -7.208 6.878 3.928 1.00 0.00 H new ATOM 0 HB2 ASP A 320 -6.616 6.046 1.704 1.00 0.00 H new ATOM 0 HB3 ASP A 320 -7.468 7.569 1.549 1.00 0.00 H new ATOM 206 N GLU A 321 -4.168 7.611 4.336 1.00 0.00 N ATOM 207 CA GLU A 321 -2.846 7.136 4.833 1.00 0.00 C ATOM 208 C GLU A 321 -3.031 6.062 5.910 1.00 0.00 C ATOM 209 O GLU A 321 -2.160 5.246 6.136 1.00 0.00 O ATOM 210 CB GLU A 321 -2.070 8.321 5.416 1.00 0.00 C ATOM 211 CG GLU A 321 -0.699 7.855 5.901 1.00 0.00 C ATOM 212 CD GLU A 321 0.042 9.027 6.545 1.00 0.00 C ATOM 213 OE1 GLU A 321 -0.538 10.099 6.620 1.00 0.00 O ATOM 214 OE2 GLU A 321 1.176 8.836 6.953 1.00 0.00 O ATOM 0 H GLU A 321 -4.299 8.622 4.369 1.00 0.00 H new ATOM 0 HA GLU A 321 -2.290 6.702 4.002 1.00 0.00 H new ATOM 0 HB2 GLU A 321 -1.954 9.098 4.660 1.00 0.00 H new ATOM 0 HB3 GLU A 321 -2.628 8.761 6.243 1.00 0.00 H new ATOM 0 HG2 GLU A 321 -0.813 7.044 6.620 1.00 0.00 H new ATOM 0 HG3 GLU A 321 -0.121 7.461 5.065 1.00 0.00 H new ATOM 221 N ASP A 322 -4.142 6.062 6.592 1.00 0.00 N ATOM 222 CA ASP A 322 -4.354 5.047 7.666 1.00 0.00 C ATOM 223 C ASP A 322 -4.214 3.631 7.095 1.00 0.00 C ATOM 224 O ASP A 322 -3.676 2.750 7.735 1.00 0.00 O ATOM 225 CB ASP A 322 -5.754 5.219 8.258 1.00 0.00 C ATOM 226 CG ASP A 322 -5.896 4.337 9.499 1.00 0.00 C ATOM 227 OD1 ASP A 322 -4.908 3.737 9.892 1.00 0.00 O ATOM 228 OD2 ASP A 322 -6.990 4.274 10.035 1.00 0.00 O ATOM 0 H ASP A 322 -4.911 6.718 6.454 1.00 0.00 H new ATOM 0 HA ASP A 322 -3.603 5.192 8.442 1.00 0.00 H new ATOM 0 HB2 ASP A 322 -5.924 6.263 8.520 1.00 0.00 H new ATOM 0 HB3 ASP A 322 -6.508 4.949 7.519 1.00 0.00 H new ATOM 233 N ARG A 323 -4.691 3.402 5.903 1.00 0.00 N ATOM 234 CA ARG A 323 -4.581 2.040 5.301 1.00 0.00 C ATOM 235 C ARG A 323 -3.507 2.032 4.214 1.00 0.00 C ATOM 236 O ARG A 323 -3.387 1.085 3.465 1.00 0.00 O ATOM 237 CB ARG A 323 -5.919 1.637 4.670 1.00 0.00 C ATOM 238 CG ARG A 323 -7.013 1.546 5.736 1.00 0.00 C ATOM 239 CD ARG A 323 -6.821 0.282 6.578 1.00 0.00 C ATOM 240 NE ARG A 323 -8.048 0.036 7.388 1.00 0.00 N ATOM 241 CZ ARG A 323 -7.997 -0.751 8.427 1.00 0.00 C ATOM 242 NH1 ARG A 323 -6.872 -1.324 8.756 1.00 0.00 N ATOM 243 NH2 ARG A 323 -9.071 -0.965 9.136 1.00 0.00 N ATOM 0 H ARG A 323 -5.153 4.098 5.318 1.00 0.00 H new ATOM 0 HA ARG A 323 -4.315 1.335 6.089 1.00 0.00 H new ATOM 0 HB2 ARG A 323 -6.203 2.366 3.911 1.00 0.00 H new ATOM 0 HB3 ARG A 323 -5.814 0.676 4.166 1.00 0.00 H new ATOM 0 HG2 ARG A 323 -6.982 2.427 6.376 1.00 0.00 H new ATOM 0 HG3 ARG A 323 -7.994 1.531 5.261 1.00 0.00 H new ATOM 0 HD2 ARG A 323 -6.621 -0.572 5.931 1.00 0.00 H new ATOM 0 HD3 ARG A 323 -5.957 0.395 7.232 1.00 0.00 H new ATOM 0 HE ARG A 323 -8.928 0.483 7.130 1.00 0.00 H new ATOM 0 HH11 ARG A 323 -6.033 -1.156 8.201 1.00 0.00 H new ATOM 0 HH12 ARG A 323 -6.832 -1.939 9.568 1.00 0.00 H new ATOM 0 HH21 ARG A 323 -9.950 -0.517 8.878 1.00 0.00 H new ATOM 0 HH22 ARG A 323 -9.031 -1.580 9.949 1.00 0.00 H new ATOM 257 N LEU A 324 -2.736 3.077 4.102 1.00 0.00 N ATOM 258 CA LEU A 324 -1.695 3.107 3.034 1.00 0.00 C ATOM 259 C LEU A 324 -0.420 2.413 3.504 1.00 0.00 C ATOM 260 O LEU A 324 0.121 2.712 4.549 1.00 0.00 O ATOM 261 CB LEU A 324 -1.371 4.559 2.680 1.00 0.00 C ATOM 262 CG LEU A 324 -0.397 4.606 1.500 1.00 0.00 C ATOM 263 CD1 LEU A 324 -1.003 3.882 0.297 1.00 0.00 C ATOM 264 CD2 LEU A 324 -0.130 6.067 1.128 1.00 0.00 C ATOM 0 H LEU A 324 -2.779 3.905 4.697 1.00 0.00 H new ATOM 0 HA LEU A 324 -2.081 2.583 2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 324 -2.287 5.093 2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 324 -0.935 5.063 3.542 1.00 0.00 H new ATOM 0 HG LEU A 324 0.536 4.117 1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 324 -0.305 3.919 -0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 324 -1.200 2.843 0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 324 -1.936 4.368 0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 324 0.563 6.108 0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 324 -1.067 6.548 0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 324 0.304 6.586 1.982 1.00 0.00 H new ATOM 276 N LEU A 325 0.068 1.494 2.715 1.00 0.00 N ATOM 277 CA LEU A 325 1.317 0.775 3.073 1.00 0.00 C ATOM 278 C LEU A 325 2.339 0.979 1.952 1.00 0.00 C ATOM 279 O LEU A 325 2.015 0.886 0.782 1.00 0.00 O ATOM 280 CB LEU A 325 1.024 -0.718 3.233 1.00 0.00 C ATOM 281 CG LEU A 325 -0.178 -1.100 2.366 1.00 0.00 C ATOM 282 CD1 LEU A 325 -0.076 -2.575 1.973 1.00 0.00 C ATOM 283 CD2 LEU A 325 -1.468 -0.872 3.155 1.00 0.00 C ATOM 0 H LEU A 325 -0.352 1.210 1.830 1.00 0.00 H new ATOM 0 HA LEU A 325 1.711 1.162 4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 325 1.896 -1.303 2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 325 0.819 -0.949 4.278 1.00 0.00 H new ATOM 0 HG LEU A 325 -0.187 -0.484 1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -0.932 -2.847 1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 325 0.843 -2.739 1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -0.067 -3.191 2.872 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -2.325 -1.144 2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -1.458 -1.488 4.054 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -1.542 0.179 3.436 1.00 0.00 H new ATOM 295 N LEU A 326 3.567 1.257 2.293 1.00 0.00 N ATOM 296 CA LEU A 326 4.599 1.463 1.239 1.00 0.00 C ATOM 297 C LEU A 326 5.279 0.127 0.942 1.00 0.00 C ATOM 298 O LEU A 326 5.688 -0.586 1.837 1.00 0.00 O ATOM 299 CB LEU A 326 5.640 2.477 1.729 1.00 0.00 C ATOM 300 CG LEU A 326 6.684 2.741 0.635 1.00 0.00 C ATOM 301 CD1 LEU A 326 6.093 3.651 -0.445 1.00 0.00 C ATOM 302 CD2 LEU A 326 7.903 3.424 1.257 1.00 0.00 C ATOM 0 H LEU A 326 3.900 1.350 3.253 1.00 0.00 H new ATOM 0 HA LEU A 326 4.130 1.845 0.332 1.00 0.00 H new ATOM 0 HB2 LEU A 326 5.148 3.410 2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 326 6.131 2.100 2.626 1.00 0.00 H new ATOM 0 HG LEU A 326 6.978 1.793 0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 326 6.841 3.833 -1.217 1.00 0.00 H new ATOM 0 HD12 LEU A 326 5.222 3.170 -0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 326 5.795 4.599 0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 326 8.648 3.614 0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 326 7.600 4.369 1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 326 8.331 2.777 2.022 1.00 0.00 H new ATOM 314 N CYS A 327 5.400 -0.218 -0.309 1.00 0.00 N ATOM 315 CA CYS A 327 6.049 -1.507 -0.662 1.00 0.00 C ATOM 316 C CYS A 327 7.562 -1.316 -0.734 1.00 0.00 C ATOM 317 O CYS A 327 8.066 -0.593 -1.575 1.00 0.00 O ATOM 318 CB CYS A 327 5.539 -1.980 -2.021 1.00 0.00 C ATOM 319 SG CYS A 327 6.832 -2.935 -2.849 1.00 0.00 S ATOM 0 H CYS A 327 5.077 0.338 -1.101 1.00 0.00 H new ATOM 0 HA CYS A 327 5.810 -2.250 0.099 1.00 0.00 H new ATOM 0 HB2 CYS A 327 4.645 -2.591 -1.894 1.00 0.00 H new ATOM 0 HB3 CYS A 327 5.255 -1.124 -2.633 1.00 0.00 H new ATOM 0 HG CYS A 327 6.478 -3.172 -4.077 1.00 0.00 H new ATOM 324 N ASP A 328 8.285 -1.967 0.139 1.00 0.00 N ATOM 325 CA ASP A 328 9.769 -1.841 0.133 1.00 0.00 C ATOM 326 C ASP A 328 10.316 -2.338 -1.204 1.00 0.00 C ATOM 327 O ASP A 328 11.279 -1.812 -1.723 1.00 0.00 O ATOM 328 CB ASP A 328 10.358 -2.677 1.270 1.00 0.00 C ATOM 329 CG ASP A 328 9.949 -2.073 2.615 1.00 0.00 C ATOM 330 OD1 ASP A 328 9.455 -0.957 2.615 1.00 0.00 O ATOM 331 OD2 ASP A 328 10.138 -2.735 3.622 1.00 0.00 O ATOM 0 H ASP A 328 7.908 -2.583 0.859 1.00 0.00 H new ATOM 0 HA ASP A 328 10.046 -0.796 0.272 1.00 0.00 H new ATOM 0 HB2 ASP A 328 10.005 -3.706 1.199 1.00 0.00 H new ATOM 0 HB3 ASP A 328 11.445 -2.707 1.188 1.00 0.00 H new ATOM 336 N GLY A 329 9.711 -3.348 -1.770 1.00 0.00 N ATOM 337 CA GLY A 329 10.207 -3.863 -3.076 1.00 0.00 C ATOM 338 C GLY A 329 10.419 -2.678 -4.014 1.00 0.00 C ATOM 339 O GLY A 329 11.285 -2.686 -4.865 1.00 0.00 O ATOM 0 H GLY A 329 8.901 -3.835 -1.387 1.00 0.00 H new ATOM 0 HA2 GLY A 329 11.140 -4.409 -2.938 1.00 0.00 H new ATOM 0 HA3 GLY A 329 9.489 -4.562 -3.505 1.00 0.00 H new ATOM 343 N CYS A 330 9.635 -1.651 -3.847 1.00 0.00 N ATOM 344 CA CYS A 330 9.780 -0.445 -4.704 1.00 0.00 C ATOM 345 C CYS A 330 9.287 0.774 -3.922 1.00 0.00 C ATOM 346 O CYS A 330 9.446 0.852 -2.720 1.00 0.00 O ATOM 347 CB CYS A 330 8.953 -0.617 -5.983 1.00 0.00 C ATOM 348 SG CYS A 330 7.189 -0.522 -5.590 1.00 0.00 S ATOM 0 H CYS A 330 8.894 -1.596 -3.148 1.00 0.00 H new ATOM 0 HA CYS A 330 10.825 -0.307 -4.980 1.00 0.00 H new ATOM 0 HB2 CYS A 330 9.216 0.157 -6.704 1.00 0.00 H new ATOM 0 HB3 CYS A 330 9.180 -1.576 -6.448 1.00 0.00 H new ATOM 0 HG CYS A 330 6.916 -1.342 -4.619 1.00 0.00 H new ATOM 353 N ASP A 331 8.689 1.720 -4.588 1.00 0.00 N ATOM 354 CA ASP A 331 8.178 2.930 -3.885 1.00 0.00 C ATOM 355 C ASP A 331 6.690 3.086 -4.189 1.00 0.00 C ATOM 356 O ASP A 331 6.149 4.173 -4.163 1.00 0.00 O ATOM 357 CB ASP A 331 8.934 4.167 -4.375 1.00 0.00 C ATOM 358 CG ASP A 331 8.497 5.388 -3.563 1.00 0.00 C ATOM 359 OD1 ASP A 331 9.043 5.587 -2.491 1.00 0.00 O ATOM 360 OD2 ASP A 331 7.624 6.102 -4.027 1.00 0.00 O ATOM 0 H ASP A 331 8.531 1.708 -5.596 1.00 0.00 H new ATOM 0 HA ASP A 331 8.327 2.823 -2.811 1.00 0.00 H new ATOM 0 HB2 ASP A 331 10.008 4.014 -4.272 1.00 0.00 H new ATOM 0 HB3 ASP A 331 8.736 4.332 -5.434 1.00 0.00 H new ATOM 365 N ASP A 332 6.029 2.004 -4.498 1.00 0.00 N ATOM 366 CA ASP A 332 4.576 2.086 -4.828 1.00 0.00 C ATOM 367 C ASP A 332 3.737 2.016 -3.552 1.00 0.00 C ATOM 368 O ASP A 332 3.818 1.068 -2.795 1.00 0.00 O ATOM 369 CB ASP A 332 4.201 0.921 -5.746 1.00 0.00 C ATOM 370 CG ASP A 332 2.747 1.075 -6.196 1.00 0.00 C ATOM 371 OD1 ASP A 332 2.156 2.095 -5.886 1.00 0.00 O ATOM 372 OD2 ASP A 332 2.249 0.168 -6.843 1.00 0.00 O ATOM 0 H ASP A 332 6.431 1.067 -4.536 1.00 0.00 H new ATOM 0 HA ASP A 332 4.378 3.034 -5.329 1.00 0.00 H new ATOM 0 HB2 ASP A 332 4.861 0.900 -6.613 1.00 0.00 H new ATOM 0 HB3 ASP A 332 4.333 -0.026 -5.222 1.00 0.00 H new ATOM 377 N SER A 333 2.924 3.012 -3.313 1.00 0.00 N ATOM 378 CA SER A 333 2.070 3.001 -2.091 1.00 0.00 C ATOM 379 C SER A 333 0.605 2.815 -2.496 1.00 0.00 C ATOM 380 O SER A 333 0.116 3.449 -3.411 1.00 0.00 O ATOM 381 CB SER A 333 2.216 4.335 -1.362 1.00 0.00 C ATOM 382 OG SER A 333 3.589 4.569 -1.080 1.00 0.00 O ATOM 0 H SER A 333 2.815 3.831 -3.911 1.00 0.00 H new ATOM 0 HA SER A 333 2.380 2.185 -1.439 1.00 0.00 H new ATOM 0 HB2 SER A 333 1.816 5.143 -1.975 1.00 0.00 H new ATOM 0 HB3 SER A 333 1.640 4.322 -0.437 1.00 0.00 H new ATOM 0 HG SER A 333 3.667 5.229 -0.360 1.00 0.00 H new ATOM 388 N TYR A 334 -0.098 1.955 -1.811 1.00 0.00 N ATOM 389 CA TYR A 334 -1.535 1.726 -2.142 1.00 0.00 C ATOM 390 C TYR A 334 -2.268 1.219 -0.898 1.00 0.00 C ATOM 391 O TYR A 334 -1.658 0.706 0.020 1.00 0.00 O ATOM 392 CB TYR A 334 -1.647 0.704 -3.275 1.00 0.00 C ATOM 393 CG TYR A 334 -0.884 -0.545 -2.915 1.00 0.00 C ATOM 394 CD1 TYR A 334 -1.410 -1.442 -1.982 1.00 0.00 C ATOM 395 CD2 TYR A 334 0.347 -0.807 -3.524 1.00 0.00 C ATOM 396 CE1 TYR A 334 -0.703 -2.605 -1.654 1.00 0.00 C ATOM 397 CE2 TYR A 334 1.056 -1.969 -3.198 1.00 0.00 C ATOM 398 CZ TYR A 334 0.531 -2.868 -2.263 1.00 0.00 C ATOM 399 OH TYR A 334 1.228 -4.015 -1.941 1.00 0.00 O ATOM 0 H TYR A 334 0.261 1.399 -1.034 1.00 0.00 H new ATOM 0 HA TYR A 334 -1.989 2.662 -2.467 1.00 0.00 H new ATOM 0 HB2 TYR A 334 -2.694 0.462 -3.456 1.00 0.00 H new ATOM 0 HB3 TYR A 334 -1.254 1.128 -4.199 1.00 0.00 H new ATOM 0 HD1 TYR A 334 -2.362 -1.238 -1.514 1.00 0.00 H new ATOM 0 HD2 TYR A 334 0.751 -0.113 -4.246 1.00 0.00 H new ATOM 0 HE1 TYR A 334 -1.108 -3.299 -0.932 1.00 0.00 H new ATOM 0 HE2 TYR A 334 2.007 -2.172 -3.668 1.00 0.00 H new ATOM 0 HH TYR A 334 2.063 -4.045 -2.453 1.00 0.00 H new ATOM 409 N HIS A 335 -3.568 1.364 -0.843 1.00 0.00 N ATOM 410 CA HIS A 335 -4.301 0.891 0.367 1.00 0.00 C ATOM 411 C HIS A 335 -4.639 -0.597 0.237 1.00 0.00 C ATOM 412 O HIS A 335 -4.545 -1.183 -0.822 1.00 0.00 O ATOM 413 CB HIS A 335 -5.598 1.684 0.571 1.00 0.00 C ATOM 414 CG HIS A 335 -5.303 3.151 0.487 1.00 0.00 C ATOM 415 ND1 HIS A 335 -5.779 3.946 -0.545 1.00 0.00 N ATOM 416 CD2 HIS A 335 -4.573 3.982 1.298 1.00 0.00 C ATOM 417 CE1 HIS A 335 -5.330 5.193 -0.332 1.00 0.00 C ATOM 418 NE2 HIS A 335 -4.590 5.267 0.776 1.00 0.00 N ATOM 0 H HIS A 335 -4.145 1.783 -1.572 1.00 0.00 H new ATOM 0 HA HIS A 335 -3.652 1.046 1.229 1.00 0.00 H new ATOM 0 HB2 HIS A 335 -6.331 1.405 -0.186 1.00 0.00 H new ATOM 0 HB3 HIS A 335 -6.035 1.445 1.540 1.00 0.00 H new ATOM 0 HD2 HIS A 335 -4.064 3.682 2.202 1.00 0.00 H new ATOM 0 HE1 HIS A 335 -5.542 6.033 -0.978 1.00 0.00 H new ATOM 0 HE2 HIS A 335 -4.133 6.095 1.159 1.00 0.00 H new ATOM 426 N THR A 336 -5.032 -1.205 1.324 1.00 0.00 N ATOM 427 CA THR A 336 -5.381 -2.653 1.308 1.00 0.00 C ATOM 428 C THR A 336 -6.557 -2.900 0.363 1.00 0.00 C ATOM 429 O THR A 336 -6.810 -4.014 -0.045 1.00 0.00 O ATOM 430 CB THR A 336 -5.775 -3.066 2.725 1.00 0.00 C ATOM 431 OG1 THR A 336 -6.904 -2.310 3.137 1.00 0.00 O ATOM 432 CG2 THR A 336 -4.608 -2.808 3.677 1.00 0.00 C ATOM 0 H THR A 336 -5.127 -0.753 2.233 1.00 0.00 H new ATOM 0 HA THR A 336 -4.527 -3.235 0.963 1.00 0.00 H new ATOM 0 HB THR A 336 -6.022 -4.127 2.741 1.00 0.00 H new ATOM 0 HG1 THR A 336 -6.727 -1.908 4.013 1.00 0.00 H new ATOM 0 HG21 THR A 336 -4.891 -3.103 4.687 1.00 0.00 H new ATOM 0 HG22 THR A 336 -3.743 -3.389 3.358 1.00 0.00 H new ATOM 0 HG23 THR A 336 -4.357 -1.747 3.666 1.00 0.00 H new ATOM 440 N PHE A 337 -7.275 -1.870 0.017 1.00 0.00 N ATOM 441 CA PHE A 337 -8.442 -2.032 -0.894 1.00 0.00 C ATOM 442 C PHE A 337 -8.163 -1.308 -2.212 1.00 0.00 C ATOM 443 O PHE A 337 -9.008 -1.227 -3.081 1.00 0.00 O ATOM 444 CB PHE A 337 -9.679 -1.429 -0.227 1.00 0.00 C ATOM 445 CG PHE A 337 -9.373 -0.015 0.199 1.00 0.00 C ATOM 446 CD1 PHE A 337 -8.814 0.227 1.458 1.00 0.00 C ATOM 447 CD2 PHE A 337 -9.644 1.051 -0.665 1.00 0.00 C ATOM 448 CE1 PHE A 337 -8.525 1.537 1.856 1.00 0.00 C ATOM 449 CE2 PHE A 337 -9.356 2.362 -0.269 1.00 0.00 C ATOM 450 CZ PHE A 337 -8.796 2.606 0.993 1.00 0.00 C ATOM 0 H PHE A 337 -7.102 -0.914 0.329 1.00 0.00 H new ATOM 0 HA PHE A 337 -8.612 -3.090 -1.096 1.00 0.00 H new ATOM 0 HB2 PHE A 337 -10.521 -1.439 -0.919 1.00 0.00 H new ATOM 0 HB3 PHE A 337 -9.969 -2.027 0.637 1.00 0.00 H new ATOM 0 HD1 PHE A 337 -8.605 -0.598 2.123 1.00 0.00 H new ATOM 0 HD2 PHE A 337 -10.075 0.863 -1.637 1.00 0.00 H new ATOM 0 HE1 PHE A 337 -8.093 1.724 2.828 1.00 0.00 H new ATOM 0 HE2 PHE A 337 -9.565 3.186 -0.935 1.00 0.00 H new ATOM 0 HZ PHE A 337 -8.574 3.618 1.299 1.00 0.00 H new ATOM 460 N CYS A 338 -6.984 -0.774 -2.359 1.00 0.00 N ATOM 461 CA CYS A 338 -6.642 -0.044 -3.611 1.00 0.00 C ATOM 462 C CYS A 338 -5.870 -0.962 -4.556 1.00 0.00 C ATOM 463 O CYS A 338 -5.612 -0.617 -5.692 1.00 0.00 O ATOM 464 CB CYS A 338 -5.760 1.152 -3.263 1.00 0.00 C ATOM 465 SG CYS A 338 -6.611 2.687 -3.693 1.00 0.00 S ATOM 0 H CYS A 338 -6.239 -0.812 -1.663 1.00 0.00 H new ATOM 0 HA CYS A 338 -7.561 0.287 -4.095 1.00 0.00 H new ATOM 0 HB2 CYS A 338 -5.523 1.143 -2.199 1.00 0.00 H new ATOM 0 HB3 CYS A 338 -4.814 1.087 -3.801 1.00 0.00 H new ATOM 0 HG CYS A 338 -6.501 3.534 -2.713 1.00 0.00 H new ATOM 470 N LEU A 339 -5.476 -2.116 -4.099 1.00 0.00 N ATOM 471 CA LEU A 339 -4.697 -3.019 -4.986 1.00 0.00 C ATOM 472 C LEU A 339 -4.924 -4.483 -4.606 1.00 0.00 C ATOM 473 O LEU A 339 -4.964 -5.352 -5.455 1.00 0.00 O ATOM 474 CB LEU A 339 -3.215 -2.686 -4.840 1.00 0.00 C ATOM 475 CG LEU A 339 -2.407 -3.476 -5.867 1.00 0.00 C ATOM 476 CD1 LEU A 339 -2.757 -2.993 -7.275 1.00 0.00 C ATOM 477 CD2 LEU A 339 -0.916 -3.258 -5.606 1.00 0.00 C ATOM 0 H LEU A 339 -5.657 -2.470 -3.160 1.00 0.00 H new ATOM 0 HA LEU A 339 -5.024 -2.875 -6.016 1.00 0.00 H new ATOM 0 HB2 LEU A 339 -3.057 -1.617 -4.983 1.00 0.00 H new ATOM 0 HB3 LEU A 339 -2.876 -2.927 -3.833 1.00 0.00 H new ATOM 0 HG LEU A 339 -2.643 -4.537 -5.783 1.00 0.00 H new ATOM 0 HD11 LEU A 339 -2.180 -3.557 -8.007 1.00 0.00 H new ATOM 0 HD12 LEU A 339 -3.821 -3.144 -7.457 1.00 0.00 H new ATOM 0 HD13 LEU A 339 -2.520 -1.933 -7.365 1.00 0.00 H new ATOM 0 HD21 LEU A 339 -0.333 -3.819 -6.336 1.00 0.00 H new ATOM 0 HD22 LEU A 339 -0.683 -2.197 -5.694 1.00 0.00 H new ATOM 0 HD23 LEU A 339 -0.668 -3.602 -4.602 1.00 0.00 H new ATOM 489 N ILE A 340 -5.051 -4.767 -3.340 1.00 0.00 N ATOM 490 CA ILE A 340 -5.248 -6.173 -2.905 1.00 0.00 C ATOM 491 C ILE A 340 -6.669 -6.354 -2.358 1.00 0.00 C ATOM 492 O ILE A 340 -7.241 -5.440 -1.799 1.00 0.00 O ATOM 493 CB ILE A 340 -4.224 -6.478 -1.815 1.00 0.00 C ATOM 494 CG1 ILE A 340 -4.585 -5.706 -0.544 1.00 0.00 C ATOM 495 CG2 ILE A 340 -2.834 -6.049 -2.287 1.00 0.00 C ATOM 496 CD1 ILE A 340 -3.452 -5.840 0.475 1.00 0.00 C ATOM 0 H ILE A 340 -5.026 -4.081 -2.586 1.00 0.00 H new ATOM 0 HA ILE A 340 -5.115 -6.853 -3.746 1.00 0.00 H new ATOM 0 HB ILE A 340 -4.226 -7.548 -1.606 1.00 0.00 H new ATOM 0 HG12 ILE A 340 -4.754 -4.655 -0.780 1.00 0.00 H new ATOM 0 HG13 ILE A 340 -5.514 -6.091 -0.123 1.00 0.00 H new ATOM 0 HG21 ILE A 340 -2.102 -6.267 -1.509 1.00 0.00 H new ATOM 0 HG22 ILE A 340 -2.573 -6.595 -3.194 1.00 0.00 H new ATOM 0 HG23 ILE A 340 -2.835 -4.979 -2.495 1.00 0.00 H new ATOM 0 HD11 ILE A 340 -3.710 -5.290 1.380 1.00 0.00 H new ATOM 0 HD12 ILE A 340 -3.305 -6.892 0.719 1.00 0.00 H new ATOM 0 HD13 ILE A 340 -2.533 -5.434 0.053 1.00 0.00 H new ATOM 508 N PRO A 341 -7.242 -7.529 -2.510 1.00 0.00 N ATOM 509 CA PRO A 341 -8.610 -7.809 -2.013 1.00 0.00 C ATOM 510 C PRO A 341 -8.809 -7.319 -0.570 1.00 0.00 C ATOM 511 O PRO A 341 -9.759 -6.617 -0.288 1.00 0.00 O ATOM 512 CB PRO A 341 -8.773 -9.332 -2.105 1.00 0.00 C ATOM 513 CG PRO A 341 -7.518 -9.878 -2.723 1.00 0.00 C ATOM 514 CD PRO A 341 -6.648 -8.700 -3.167 1.00 0.00 C ATOM 0 HA PRO A 341 -9.358 -7.281 -2.605 1.00 0.00 H new ATOM 0 HB2 PRO A 341 -8.933 -9.762 -1.116 1.00 0.00 H new ATOM 0 HB3 PRO A 341 -9.643 -9.590 -2.709 1.00 0.00 H new ATOM 0 HG2 PRO A 341 -6.980 -10.498 -2.006 1.00 0.00 H new ATOM 0 HG3 PRO A 341 -7.760 -10.514 -3.575 1.00 0.00 H new ATOM 0 HD2 PRO A 341 -5.610 -8.839 -2.866 1.00 0.00 H new ATOM 0 HD3 PRO A 341 -6.653 -8.591 -4.251 1.00 0.00 H new ATOM 522 N PRO A 342 -7.921 -7.663 0.341 1.00 0.00 N ATOM 523 CA PRO A 342 -8.026 -7.215 1.750 1.00 0.00 C ATOM 524 C PRO A 342 -8.611 -5.804 1.867 1.00 0.00 C ATOM 525 O PRO A 342 -8.603 -5.041 0.924 1.00 0.00 O ATOM 526 CB PRO A 342 -6.577 -7.238 2.228 1.00 0.00 C ATOM 527 CG PRO A 342 -5.905 -8.306 1.427 1.00 0.00 C ATOM 528 CD PRO A 342 -6.732 -8.518 0.153 1.00 0.00 C ATOM 0 HA PRO A 342 -8.694 -7.846 2.337 1.00 0.00 H new ATOM 0 HB2 PRO A 342 -6.098 -6.271 2.072 1.00 0.00 H new ATOM 0 HB3 PRO A 342 -6.520 -7.454 3.295 1.00 0.00 H new ATOM 0 HG2 PRO A 342 -4.885 -8.013 1.177 1.00 0.00 H new ATOM 0 HG3 PRO A 342 -5.840 -9.231 2.000 1.00 0.00 H new ATOM 0 HD2 PRO A 342 -6.172 -8.230 -0.737 1.00 0.00 H new ATOM 0 HD3 PRO A 342 -7.011 -9.565 0.030 1.00 0.00 H new ATOM 536 N LEU A 343 -9.121 -5.459 3.017 1.00 0.00 N ATOM 537 CA LEU A 343 -9.714 -4.105 3.203 1.00 0.00 C ATOM 538 C LEU A 343 -8.997 -3.380 4.341 1.00 0.00 C ATOM 539 O LEU A 343 -8.862 -2.172 4.330 1.00 0.00 O ATOM 540 CB LEU A 343 -11.197 -4.242 3.552 1.00 0.00 C ATOM 541 CG LEU A 343 -11.914 -5.021 2.448 1.00 0.00 C ATOM 542 CD1 LEU A 343 -13.401 -5.139 2.792 1.00 0.00 C ATOM 543 CD2 LEU A 343 -11.763 -4.279 1.118 1.00 0.00 C ATOM 0 H LEU A 343 -9.153 -6.060 3.840 1.00 0.00 H new ATOM 0 HA LEU A 343 -9.603 -3.535 2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 343 -11.310 -4.756 4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 343 -11.647 -3.256 3.666 1.00 0.00 H new ATOM 0 HG LEU A 343 -11.476 -6.016 2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 343 -13.913 -5.694 2.006 1.00 0.00 H new ATOM 0 HD12 LEU A 343 -13.515 -5.664 3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 343 -13.835 -4.143 2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 343 -12.274 -4.834 0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 343 -12.202 -3.285 1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 343 -10.705 -4.189 0.870 1.00 0.00 H new ATOM 555 N HIS A 344 -8.546 -4.108 5.326 1.00 0.00 N ATOM 556 CA HIS A 344 -7.844 -3.466 6.474 1.00 0.00 C ATOM 557 C HIS A 344 -6.372 -3.879 6.465 1.00 0.00 C ATOM 558 O HIS A 344 -6.028 -4.974 6.067 1.00 0.00 O ATOM 559 CB HIS A 344 -8.498 -3.917 7.782 1.00 0.00 C ATOM 560 CG HIS A 344 -9.937 -3.479 7.804 1.00 0.00 C ATOM 561 ND1 HIS A 344 -10.656 -2.633 6.991 1.00 0.00 N flip ATOM 562 CD2 HIS A 344 -10.831 -3.931 8.764 1.00 0.00 C flip ATOM 563 CE1 HIS A 344 -11.969 -2.564 7.440 1.00 0.00 C flip ATOM 564 NE2 HIS A 344 -12.025 -3.361 8.509 1.00 0.00 N flip ATOM 0 H HIS A 344 -8.634 -5.122 5.385 1.00 0.00 H new ATOM 0 HA HIS A 344 -7.914 -2.382 6.388 1.00 0.00 H new ATOM 0 HB2 HIS A 344 -8.436 -5.001 7.876 1.00 0.00 H new ATOM 0 HB3 HIS A 344 -7.965 -3.492 8.632 1.00 0.00 H new ATOM 0 HD2 HIS A 344 -10.610 -4.616 9.570 1.00 0.00 H new ATOM 0 HE1 HIS A 344 -12.776 -1.986 7.013 1.00 0.00 H new ATOM 0 HE2 HIS A 344 -12.866 -3.519 9.064 1.00 0.00 H new ATOM 573 N ASP A 345 -5.498 -3.010 6.892 1.00 0.00 N ATOM 574 CA ASP A 345 -4.049 -3.354 6.895 1.00 0.00 C ATOM 575 C ASP A 345 -3.704 -4.145 8.157 1.00 0.00 C ATOM 576 O ASP A 345 -3.659 -3.607 9.247 1.00 0.00 O ATOM 577 CB ASP A 345 -3.220 -2.067 6.864 1.00 0.00 C ATOM 578 CG ASP A 345 -1.736 -2.419 6.739 1.00 0.00 C ATOM 579 OD1 ASP A 345 -1.438 -3.588 6.561 1.00 0.00 O ATOM 580 OD2 ASP A 345 -0.924 -1.512 6.822 1.00 0.00 O ATOM 0 H ASP A 345 -5.724 -2.078 7.239 1.00 0.00 H new ATOM 0 HA ASP A 345 -3.824 -3.960 6.017 1.00 0.00 H new ATOM 0 HB2 ASP A 345 -3.529 -1.443 6.025 1.00 0.00 H new ATOM 0 HB3 ASP A 345 -3.392 -1.489 7.772 1.00 0.00 H new ATOM 585 N VAL A 346 -3.450 -5.420 8.014 1.00 0.00 N ATOM 586 CA VAL A 346 -3.096 -6.255 9.193 1.00 0.00 C ATOM 587 C VAL A 346 -1.622 -6.676 9.087 1.00 0.00 C ATOM 588 O VAL A 346 -1.127 -6.922 8.005 1.00 0.00 O ATOM 589 CB VAL A 346 -3.983 -7.501 9.220 1.00 0.00 C ATOM 590 CG1 VAL A 346 -5.152 -7.275 10.182 1.00 0.00 C ATOM 591 CG2 VAL A 346 -4.526 -7.769 7.815 1.00 0.00 C ATOM 0 H VAL A 346 -3.474 -5.919 7.124 1.00 0.00 H new ATOM 0 HA VAL A 346 -3.249 -5.683 10.108 1.00 0.00 H new ATOM 0 HB VAL A 346 -3.397 -8.357 9.554 1.00 0.00 H new ATOM 0 HG11 VAL A 346 -5.784 -8.163 10.201 1.00 0.00 H new ATOM 0 HG12 VAL A 346 -4.767 -7.082 11.183 1.00 0.00 H new ATOM 0 HG13 VAL A 346 -5.738 -6.419 9.847 1.00 0.00 H new ATOM 0 HG21 VAL A 346 -5.158 -8.657 7.833 1.00 0.00 H new ATOM 0 HG22 VAL A 346 -5.112 -6.912 7.482 1.00 0.00 H new ATOM 0 HG23 VAL A 346 -3.695 -7.929 7.128 1.00 0.00 H new ATOM 601 N PRO A 347 -0.920 -6.760 10.192 1.00 0.00 N ATOM 602 CA PRO A 347 0.519 -7.158 10.190 1.00 0.00 C ATOM 603 C PRO A 347 0.719 -8.580 9.658 1.00 0.00 C ATOM 604 O PRO A 347 -0.042 -9.477 9.962 1.00 0.00 O ATOM 605 CB PRO A 347 0.941 -7.071 11.661 1.00 0.00 C ATOM 606 CG PRO A 347 -0.326 -7.084 12.451 1.00 0.00 C ATOM 607 CD PRO A 347 -1.411 -6.494 11.552 1.00 0.00 C ATOM 0 HA PRO A 347 1.111 -6.515 9.539 1.00 0.00 H new ATOM 0 HB2 PRO A 347 1.580 -7.910 11.934 1.00 0.00 H new ATOM 0 HB3 PRO A 347 1.511 -6.161 11.851 1.00 0.00 H new ATOM 0 HG2 PRO A 347 -0.583 -8.099 12.753 1.00 0.00 H new ATOM 0 HG3 PRO A 347 -0.219 -6.498 13.364 1.00 0.00 H new ATOM 0 HD2 PRO A 347 -2.377 -6.966 11.728 1.00 0.00 H new ATOM 0 HD3 PRO A 347 -1.541 -5.426 11.729 1.00 0.00 H new ATOM 615 N LYS A 348 1.733 -8.795 8.865 1.00 0.00 N ATOM 616 CA LYS A 348 1.971 -10.161 8.320 1.00 0.00 C ATOM 617 C LYS A 348 3.398 -10.262 7.778 1.00 0.00 C ATOM 618 O LYS A 348 4.168 -11.109 8.182 1.00 0.00 O ATOM 619 CB LYS A 348 0.977 -10.436 7.189 1.00 0.00 C ATOM 620 CG LYS A 348 1.122 -11.885 6.722 1.00 0.00 C ATOM 621 CD LYS A 348 0.175 -12.139 5.547 1.00 0.00 C ATOM 622 CE LYS A 348 0.221 -13.618 5.164 1.00 0.00 C ATOM 623 NZ LYS A 348 0.031 -14.453 6.384 1.00 0.00 N ATOM 0 H LYS A 348 2.405 -8.086 8.572 1.00 0.00 H new ATOM 0 HA LYS A 348 1.836 -10.894 9.115 1.00 0.00 H new ATOM 0 HB2 LYS A 348 -0.041 -10.254 7.533 1.00 0.00 H new ATOM 0 HB3 LYS A 348 1.159 -9.755 6.358 1.00 0.00 H new ATOM 0 HG2 LYS A 348 2.152 -12.080 6.422 1.00 0.00 H new ATOM 0 HG3 LYS A 348 0.894 -12.567 7.541 1.00 0.00 H new ATOM 0 HD2 LYS A 348 -0.842 -11.854 5.818 1.00 0.00 H new ATOM 0 HD3 LYS A 348 0.462 -11.523 4.695 1.00 0.00 H new ATOM 0 HE2 LYS A 348 -0.557 -13.840 4.434 1.00 0.00 H new ATOM 0 HE3 LYS A 348 1.176 -13.854 4.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 348 -0.370 -15.374 6.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 348 0.949 -14.598 6.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 348 -0.618 -13.970 7.038 1.00 0.00 H new ATOM 637 N GLY A 349 3.751 -9.406 6.861 1.00 0.00 N ATOM 638 CA GLY A 349 5.126 -9.454 6.285 1.00 0.00 C ATOM 639 C GLY A 349 5.379 -8.192 5.461 1.00 0.00 C ATOM 640 O GLY A 349 4.648 -7.225 5.547 1.00 0.00 O ATOM 0 H GLY A 349 3.148 -8.675 6.484 1.00 0.00 H new ATOM 0 HA2 GLY A 349 5.864 -9.533 7.084 1.00 0.00 H new ATOM 0 HA3 GLY A 349 5.238 -10.339 5.658 1.00 0.00 H new ATOM 644 N ASP A 350 6.409 -8.194 4.662 1.00 0.00 N ATOM 645 CA ASP A 350 6.709 -6.996 3.830 1.00 0.00 C ATOM 646 C ASP A 350 5.705 -6.918 2.680 1.00 0.00 C ATOM 647 O ASP A 350 5.585 -7.832 1.887 1.00 0.00 O ATOM 648 CB ASP A 350 8.126 -7.115 3.265 1.00 0.00 C ATOM 649 CG ASP A 350 8.485 -5.837 2.507 1.00 0.00 C ATOM 650 OD1 ASP A 350 7.731 -4.883 2.601 1.00 0.00 O ATOM 651 OD2 ASP A 350 9.509 -5.835 1.844 1.00 0.00 O ATOM 0 H ASP A 350 7.056 -8.974 4.549 1.00 0.00 H new ATOM 0 HA ASP A 350 6.636 -6.095 4.440 1.00 0.00 H new ATOM 0 HB2 ASP A 350 8.838 -7.282 4.073 1.00 0.00 H new ATOM 0 HB3 ASP A 350 8.192 -7.975 2.599 1.00 0.00 H new ATOM 656 N TRP A 351 4.975 -5.840 2.587 1.00 0.00 N ATOM 657 CA TRP A 351 3.975 -5.717 1.489 1.00 0.00 C ATOM 658 C TRP A 351 4.695 -5.451 0.167 1.00 0.00 C ATOM 659 O TRP A 351 5.452 -4.510 0.037 1.00 0.00 O ATOM 660 CB TRP A 351 3.026 -4.557 1.798 1.00 0.00 C ATOM 661 CG TRP A 351 2.226 -4.881 3.019 1.00 0.00 C ATOM 662 CD1 TRP A 351 1.164 -5.717 3.053 1.00 0.00 C ATOM 663 CD2 TRP A 351 2.408 -4.395 4.381 1.00 0.00 C ATOM 664 NE1 TRP A 351 0.680 -5.773 4.347 1.00 0.00 N ATOM 665 CE2 TRP A 351 1.414 -4.975 5.203 1.00 0.00 C ATOM 666 CE3 TRP A 351 3.329 -3.514 4.977 1.00 0.00 C ATOM 667 CZ2 TRP A 351 1.336 -4.693 6.567 1.00 0.00 C ATOM 668 CZ3 TRP A 351 3.254 -3.227 6.349 1.00 0.00 C ATOM 669 CH2 TRP A 351 2.259 -3.816 7.143 1.00 0.00 C ATOM 0 H TRP A 351 5.027 -5.043 3.221 1.00 0.00 H new ATOM 0 HA TRP A 351 3.406 -6.643 1.408 1.00 0.00 H new ATOM 0 HB2 TRP A 351 3.594 -3.640 1.955 1.00 0.00 H new ATOM 0 HB3 TRP A 351 2.362 -4.380 0.951 1.00 0.00 H new ATOM 0 HD1 TRP A 351 0.760 -6.254 2.207 1.00 0.00 H new ATOM 0 HE1 TRP A 351 -0.121 -6.335 4.634 1.00 0.00 H new ATOM 0 HE3 TRP A 351 4.099 -3.055 4.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 351 0.568 -5.149 7.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 351 3.966 -2.549 6.796 1.00 0.00 H new ATOM 0 HH2 TRP A 351 2.206 -3.592 8.198 1.00 0.00 H new ATOM 680 N ARG A 352 4.463 -6.280 -0.814 1.00 0.00 N ATOM 681 CA ARG A 352 5.125 -6.092 -2.134 1.00 0.00 C ATOM 682 C ARG A 352 4.081 -6.118 -3.248 1.00 0.00 C ATOM 683 O ARG A 352 3.199 -6.953 -3.268 1.00 0.00 O ATOM 684 CB ARG A 352 6.135 -7.217 -2.364 1.00 0.00 C ATOM 685 CG ARG A 352 7.291 -7.081 -1.374 1.00 0.00 C ATOM 686 CD ARG A 352 8.369 -8.107 -1.717 1.00 0.00 C ATOM 687 NE ARG A 352 9.444 -8.064 -0.686 1.00 0.00 N ATOM 688 CZ ARG A 352 10.404 -8.948 -0.709 1.00 0.00 C ATOM 689 NH1 ARG A 352 10.420 -9.871 -1.631 1.00 0.00 N ATOM 690 NH2 ARG A 352 11.347 -8.909 0.193 1.00 0.00 N ATOM 0 H ARG A 352 3.839 -7.085 -0.756 1.00 0.00 H new ATOM 0 HA ARG A 352 5.637 -5.130 -2.141 1.00 0.00 H new ATOM 0 HB2 ARG A 352 5.650 -8.185 -2.241 1.00 0.00 H new ATOM 0 HB3 ARG A 352 6.512 -7.177 -3.386 1.00 0.00 H new ATOM 0 HG2 ARG A 352 7.705 -6.073 -1.416 1.00 0.00 H new ATOM 0 HG3 ARG A 352 6.934 -7.237 -0.356 1.00 0.00 H new ATOM 0 HD2 ARG A 352 7.934 -9.105 -1.762 1.00 0.00 H new ATOM 0 HD3 ARG A 352 8.786 -7.896 -2.702 1.00 0.00 H new ATOM 0 HE ARG A 352 9.430 -7.345 0.037 1.00 0.00 H new ATOM 0 HH11 ARG A 352 9.682 -9.902 -2.334 1.00 0.00 H new ATOM 0 HH12 ARG A 352 11.171 -10.562 -1.648 1.00 0.00 H new ATOM 0 HH21 ARG A 352 11.333 -8.188 0.915 1.00 0.00 H new ATOM 0 HH22 ARG A 352 12.098 -9.599 0.176 1.00 0.00 H new ATOM 704 N CYS A 353 4.185 -5.220 -4.188 1.00 0.00 N ATOM 705 CA CYS A 353 3.213 -5.207 -5.311 1.00 0.00 C ATOM 706 C CYS A 353 3.363 -6.523 -6.082 1.00 0.00 C ATOM 707 O CYS A 353 4.423 -7.117 -6.082 1.00 0.00 O ATOM 708 CB CYS A 353 3.523 -4.027 -6.234 1.00 0.00 C ATOM 709 SG CYS A 353 4.092 -2.620 -5.252 1.00 0.00 S ATOM 0 H CYS A 353 4.902 -4.495 -4.225 1.00 0.00 H new ATOM 0 HA CYS A 353 2.194 -5.104 -4.937 1.00 0.00 H new ATOM 0 HB2 CYS A 353 4.287 -4.310 -6.958 1.00 0.00 H new ATOM 0 HB3 CYS A 353 2.633 -3.752 -6.800 1.00 0.00 H new ATOM 0 HG CYS A 353 3.825 -2.830 -3.997 1.00 0.00 H new ATOM 714 N PRO A 354 2.322 -6.998 -6.721 1.00 0.00 N ATOM 715 CA PRO A 354 2.391 -8.281 -7.470 1.00 0.00 C ATOM 716 C PRO A 354 3.628 -8.354 -8.371 1.00 0.00 C ATOM 717 O PRO A 354 4.296 -9.367 -8.437 1.00 0.00 O ATOM 718 CB PRO A 354 1.123 -8.281 -8.325 1.00 0.00 C ATOM 719 CG PRO A 354 0.166 -7.350 -7.650 1.00 0.00 C ATOM 720 CD PRO A 354 0.989 -6.381 -6.795 1.00 0.00 C ATOM 0 HA PRO A 354 2.462 -9.135 -6.796 1.00 0.00 H new ATOM 0 HB2 PRO A 354 1.338 -7.949 -9.341 1.00 0.00 H new ATOM 0 HB3 PRO A 354 0.703 -9.284 -8.399 1.00 0.00 H new ATOM 0 HG2 PRO A 354 -0.423 -6.805 -8.388 1.00 0.00 H new ATOM 0 HG3 PRO A 354 -0.537 -7.906 -7.030 1.00 0.00 H new ATOM 0 HD2 PRO A 354 1.034 -5.391 -7.249 1.00 0.00 H new ATOM 0 HD3 PRO A 354 0.553 -6.257 -5.804 1.00 0.00 H new ATOM 728 N LYS A 355 3.964 -7.282 -9.037 1.00 0.00 N ATOM 729 CA LYS A 355 5.180 -7.304 -9.897 1.00 0.00 C ATOM 730 C LYS A 355 6.410 -7.433 -9.004 1.00 0.00 C ATOM 731 O LYS A 355 7.372 -8.097 -9.336 1.00 0.00 O ATOM 732 CB LYS A 355 5.267 -6.012 -10.708 1.00 0.00 C ATOM 733 CG LYS A 355 5.365 -4.830 -9.749 1.00 0.00 C ATOM 734 CD LYS A 355 5.345 -3.521 -10.541 1.00 0.00 C ATOM 735 CE LYS A 355 5.711 -2.359 -9.615 1.00 0.00 C ATOM 736 NZ LYS A 355 4.829 -1.194 -9.909 1.00 0.00 N ATOM 0 H LYS A 355 3.453 -6.399 -9.023 1.00 0.00 H new ATOM 0 HA LYS A 355 5.129 -8.148 -10.585 1.00 0.00 H new ATOM 0 HB2 LYS A 355 6.137 -6.037 -11.365 1.00 0.00 H new ATOM 0 HB3 LYS A 355 4.389 -5.908 -11.346 1.00 0.00 H new ATOM 0 HG2 LYS A 355 4.535 -4.852 -9.043 1.00 0.00 H new ATOM 0 HG3 LYS A 355 6.282 -4.899 -9.164 1.00 0.00 H new ATOM 0 HD2 LYS A 355 6.050 -3.575 -11.371 1.00 0.00 H new ATOM 0 HD3 LYS A 355 4.357 -3.359 -10.972 1.00 0.00 H new ATOM 0 HE2 LYS A 355 5.599 -2.660 -8.574 1.00 0.00 H new ATOM 0 HE3 LYS A 355 6.756 -2.083 -9.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 5.077 -0.404 -9.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 4.958 -0.902 -10.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 3.836 -1.462 -9.753 1.00 0.00 H new ATOM 750 N CYS A 356 6.376 -6.801 -7.866 1.00 0.00 N ATOM 751 CA CYS A 356 7.526 -6.872 -6.929 1.00 0.00 C ATOM 752 C CYS A 356 7.651 -8.297 -6.390 1.00 0.00 C ATOM 753 O CYS A 356 8.738 -8.795 -6.171 1.00 0.00 O ATOM 754 CB CYS A 356 7.300 -5.887 -5.778 1.00 0.00 C ATOM 755 SG CYS A 356 7.399 -4.195 -6.414 1.00 0.00 S ATOM 0 H CYS A 356 5.593 -6.233 -7.543 1.00 0.00 H new ATOM 0 HA CYS A 356 8.447 -6.607 -7.448 1.00 0.00 H new ATOM 0 HB2 CYS A 356 6.325 -6.060 -5.321 1.00 0.00 H new ATOM 0 HB3 CYS A 356 8.048 -6.040 -5.000 1.00 0.00 H new ATOM 0 HG CYS A 356 6.313 -3.551 -6.104 1.00 0.00 H new ATOM 760 N LEU A 357 6.547 -8.959 -6.174 1.00 0.00 N ATOM 761 CA LEU A 357 6.606 -10.353 -5.649 1.00 0.00 C ATOM 762 C LEU A 357 7.350 -11.242 -6.647 1.00 0.00 C ATOM 763 O LEU A 357 8.106 -12.116 -6.272 1.00 0.00 O ATOM 764 CB LEU A 357 5.186 -10.886 -5.449 1.00 0.00 C ATOM 765 CG LEU A 357 5.245 -12.270 -4.799 1.00 0.00 C ATOM 766 CD1 LEU A 357 5.765 -12.150 -3.364 1.00 0.00 C ATOM 767 CD2 LEU A 357 3.841 -12.881 -4.780 1.00 0.00 C ATOM 0 H LEU A 357 5.608 -8.596 -6.338 1.00 0.00 H new ATOM 0 HA LEU A 357 7.132 -10.359 -4.694 1.00 0.00 H new ATOM 0 HB2 LEU A 357 4.615 -10.202 -4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 357 4.670 -10.945 -6.407 1.00 0.00 H new ATOM 0 HG LEU A 357 5.918 -12.908 -5.372 1.00 0.00 H new ATOM 0 HD11 LEU A 357 5.804 -13.139 -2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 357 6.764 -11.715 -3.374 1.00 0.00 H new ATOM 0 HD13 LEU A 357 5.097 -11.510 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 357 3.880 -13.867 -4.317 1.00 0.00 H new ATOM 0 HD22 LEU A 357 3.172 -12.238 -4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 357 3.471 -12.973 -5.801 1.00 0.00 H new ATOM 779 N ALA A 358 7.141 -11.024 -7.915 1.00 0.00 N ATOM 780 CA ALA A 358 7.833 -11.856 -8.940 1.00 0.00 C ATOM 781 C ALA A 358 9.342 -11.620 -8.858 1.00 0.00 C ATOM 782 O ALA A 358 10.135 -12.509 -9.096 1.00 0.00 O ATOM 783 CB ALA A 358 7.332 -11.469 -10.334 1.00 0.00 C ATOM 0 H ALA A 358 6.520 -10.305 -8.287 1.00 0.00 H new ATOM 0 HA ALA A 358 7.620 -12.909 -8.755 1.00 0.00 H new ATOM 0 HB1 ALA A 358 7.838 -12.077 -11.084 1.00 0.00 H new ATOM 0 HB2 ALA A 358 6.257 -11.638 -10.394 1.00 0.00 H new ATOM 0 HB3 ALA A 358 7.544 -10.416 -10.517 1.00 0.00 H new ATOM 789 N GLN A 359 9.746 -10.425 -8.523 1.00 0.00 N ATOM 790 CA GLN A 359 11.203 -10.130 -8.426 1.00 0.00 C ATOM 791 C GLN A 359 11.844 -11.055 -7.389 1.00 0.00 C ATOM 792 O GLN A 359 12.976 -11.471 -7.529 1.00 0.00 O ATOM 793 CB GLN A 359 11.403 -8.673 -8.005 1.00 0.00 C ATOM 794 CG GLN A 359 10.867 -7.748 -9.100 1.00 0.00 C ATOM 795 CD GLN A 359 11.026 -6.291 -8.661 1.00 0.00 C ATOM 796 OE1 GLN A 359 11.231 -6.015 -7.496 1.00 0.00 O ATOM 797 NE2 GLN A 359 10.938 -5.341 -9.552 1.00 0.00 N ATOM 0 H GLN A 359 9.129 -9.640 -8.312 1.00 0.00 H new ATOM 0 HA GLN A 359 11.671 -10.294 -9.396 1.00 0.00 H new ATOM 0 HB2 GLN A 359 10.885 -8.480 -7.065 1.00 0.00 H new ATOM 0 HB3 GLN A 359 12.461 -8.475 -7.832 1.00 0.00 H new ATOM 0 HG2 GLN A 359 11.407 -7.919 -10.032 1.00 0.00 H new ATOM 0 HG3 GLN A 359 9.817 -7.968 -9.295 1.00 0.00 H new ATOM 0 HE21 GLN A 359 10.766 -5.574 -10.530 1.00 0.00 H new ATOM 0 HE22 GLN A 359 11.041 -4.366 -9.270 1.00 0.00 H new ATOM 806 N GLU A 360 11.127 -11.379 -6.349 1.00 0.00 N ATOM 807 CA GLU A 360 11.695 -12.275 -5.303 1.00 0.00 C ATOM 808 C GLU A 360 12.077 -13.616 -5.934 1.00 0.00 C ATOM 809 O GLU A 360 13.121 -14.138 -5.580 1.00 0.00 O ATOM 810 CB GLU A 360 10.652 -12.506 -4.207 1.00 0.00 C ATOM 811 CG GLU A 360 11.280 -13.307 -3.065 1.00 0.00 C ATOM 812 CD GLU A 360 10.212 -13.626 -2.017 1.00 0.00 C ATOM 813 OE1 GLU A 360 9.072 -13.244 -2.227 1.00 0.00 O ATOM 814 OE2 GLU A 360 10.552 -14.245 -1.023 1.00 0.00 O ATOM 815 OXT GLU A 360 11.319 -14.098 -6.759 1.00 0.00 O ATOM 0 H GLU A 360 10.173 -11.062 -6.178 1.00 0.00 H new ATOM 0 HA GLU A 360 12.581 -11.811 -4.869 1.00 0.00 H new ATOM 0 HB2 GLU A 360 10.282 -11.550 -3.835 1.00 0.00 H new ATOM 0 HB3 GLU A 360 9.795 -13.043 -4.613 1.00 0.00 H new ATOM 0 HG2 GLU A 360 11.714 -14.230 -3.450 1.00 0.00 H new ATOM 0 HG3 GLU A 360 12.091 -12.738 -2.611 1.00 0.00 H new