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 162:sc= 0.0661 USER MOD Set 1.2: A 330 CYS SG : rot -53:sc= -3.5! USER MOD Set 1.3: A 353 CYS SG : rot -140:sc= 0.74 USER MOD Set 1.4: A 355 LYS NZ :NH3+ -173:sc= -0.405! (180deg=-0.178) USER MOD Set 1.5: A 356 CYS SG : rot 65:sc= -2.01! USER MOD Set 2.1: A 312 CYS SG : rot -134:sc= -1.45 USER MOD Set 2.2: A 315 CYS SG : rot 123:sc= 0.502 USER MOD Set 2.3: A 335 HIS : no HD1:sc= -7.45! C(o=-11!,f=-13!) USER MOD Set 2.4: A 338 CYS SG : rot -142:sc= -2.78! 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= -0.203 X(o=-0.2,f=0) USER MOD Single : A 333 SER OG : rot 150:sc= 0 USER MOD Single : A 334 TYR OH : rot -98:sc= -0.113 USER MOD Single : A 336 THR OG1 : rot 117:sc= 0.689 USER MOD Single : A 344 HIS : no HD1:sc= -0.0256 X(o=-0.026,f=-0.41) USER MOD Single : A 348 LYS NZ :NH3+ -163:sc= -0.261 (180deg=-1.04) USER MOD Single : A 359 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 309 3.295 12.983 3.739 1.00 0.00 N ATOM 42 CA LEU A 309 4.575 12.469 3.180 1.00 0.00 C ATOM 43 C LEU A 309 4.284 11.298 2.238 1.00 0.00 C ATOM 44 O LEU A 309 4.938 11.129 1.227 1.00 0.00 O ATOM 45 CB LEU A 309 5.475 11.990 4.322 1.00 0.00 C ATOM 46 CG LEU A 309 5.711 13.138 5.307 1.00 0.00 C ATOM 47 CD1 LEU A 309 6.675 12.679 6.402 1.00 0.00 C ATOM 48 CD2 LEU A 309 6.319 14.332 4.566 1.00 0.00 C ATOM 0 HA LEU A 309 5.077 13.265 2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 309 5.011 11.147 4.835 1.00 0.00 H new ATOM 0 HB3 LEU A 309 6.427 11.637 3.925 1.00 0.00 H new ATOM 0 HG LEU A 309 4.761 13.432 5.754 1.00 0.00 H new ATOM 0 HD11 LEU A 309 6.844 13.496 7.104 1.00 0.00 H new ATOM 0 HD12 LEU A 309 6.246 11.828 6.931 1.00 0.00 H new ATOM 0 HD13 LEU A 309 7.623 12.385 5.952 1.00 0.00 H new ATOM 0 HD21 LEU A 309 6.487 15.149 5.268 1.00 0.00 H new ATOM 0 HD22 LEU A 309 7.268 14.037 4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 309 5.635 14.661 3.783 1.00 0.00 H new ATOM 60 N TYR A 310 3.309 10.491 2.564 1.00 0.00 N ATOM 61 CA TYR A 310 2.968 9.330 1.694 1.00 0.00 C ATOM 62 C TYR A 310 1.527 9.451 1.196 1.00 0.00 C ATOM 63 O TYR A 310 0.617 9.730 1.951 1.00 0.00 O ATOM 64 CB TYR A 310 3.122 8.031 2.488 1.00 0.00 C ATOM 65 CG TYR A 310 4.537 7.522 2.355 1.00 0.00 C ATOM 66 CD1 TYR A 310 4.887 6.718 1.263 1.00 0.00 C ATOM 67 CD2 TYR A 310 5.497 7.848 3.320 1.00 0.00 C ATOM 68 CE1 TYR A 310 6.196 6.241 1.134 1.00 0.00 C ATOM 69 CE2 TYR A 310 6.807 7.370 3.192 1.00 0.00 C ATOM 70 CZ TYR A 310 7.157 6.567 2.099 1.00 0.00 C ATOM 71 OH TYR A 310 8.448 6.097 1.973 1.00 0.00 O ATOM 0 H TYR A 310 2.732 10.588 3.400 1.00 0.00 H new ATOM 0 HA TYR A 310 3.643 9.320 0.838 1.00 0.00 H new ATOM 0 HB2 TYR A 310 2.884 8.204 3.538 1.00 0.00 H new ATOM 0 HB3 TYR A 310 2.419 7.283 2.121 1.00 0.00 H new ATOM 0 HD1 TYR A 310 4.145 6.466 0.519 1.00 0.00 H new ATOM 0 HD2 TYR A 310 5.228 8.468 4.163 1.00 0.00 H new ATOM 0 HE1 TYR A 310 6.465 5.622 0.291 1.00 0.00 H new ATOM 0 HE2 TYR A 310 7.548 7.621 3.937 1.00 0.00 H new ATOM 0 HH TYR A 310 8.987 6.416 2.726 1.00 0.00 H new ATOM 81 N VAL A 311 1.319 9.226 -0.072 1.00 0.00 N ATOM 82 CA VAL A 311 -0.057 9.306 -0.639 1.00 0.00 C ATOM 83 C VAL A 311 -0.327 8.030 -1.436 1.00 0.00 C ATOM 84 O VAL A 311 0.589 7.334 -1.827 1.00 0.00 O ATOM 85 CB VAL A 311 -0.161 10.521 -1.563 1.00 0.00 C ATOM 86 CG1 VAL A 311 0.201 11.788 -0.785 1.00 0.00 C ATOM 87 CG2 VAL A 311 0.804 10.351 -2.737 1.00 0.00 C ATOM 0 H VAL A 311 2.048 8.988 -0.744 1.00 0.00 H new ATOM 0 HA VAL A 311 -0.788 9.408 0.163 1.00 0.00 H new ATOM 0 HB VAL A 311 -1.181 10.605 -1.939 1.00 0.00 H new ATOM 0 HG11 VAL A 311 0.127 12.653 -1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 311 -0.486 11.910 0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 311 1.221 11.705 -0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 311 0.731 11.216 -3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 311 1.823 10.267 -2.361 1.00 0.00 H new ATOM 0 HG23 VAL A 311 0.546 9.449 -3.292 1.00 0.00 H new ATOM 97 N CYS A 312 -1.566 7.706 -1.682 1.00 0.00 N ATOM 98 CA CYS A 312 -1.855 6.466 -2.452 1.00 0.00 C ATOM 99 C CYS A 312 -1.870 6.792 -3.948 1.00 0.00 C ATOM 100 O CYS A 312 -2.626 7.626 -4.403 1.00 0.00 O ATOM 101 CB CYS A 312 -3.209 5.908 -2.020 1.00 0.00 C ATOM 102 SG CYS A 312 -3.712 4.588 -3.148 1.00 0.00 S ATOM 0 H CYS A 312 -2.383 8.240 -1.386 1.00 0.00 H new ATOM 0 HA CYS A 312 -1.085 5.719 -2.258 1.00 0.00 H new ATOM 0 HB2 CYS A 312 -3.147 5.525 -1.001 1.00 0.00 H new ATOM 0 HB3 CYS A 312 -3.956 6.702 -2.017 1.00 0.00 H new ATOM 0 HG CYS A 312 -4.956 4.756 -3.485 1.00 0.00 H new ATOM 107 N LEU A 313 -1.034 6.144 -4.712 1.00 0.00 N ATOM 108 CA LEU A 313 -0.996 6.424 -6.174 1.00 0.00 C ATOM 109 C LEU A 313 -2.346 6.074 -6.803 1.00 0.00 C ATOM 110 O LEU A 313 -2.823 6.755 -7.689 1.00 0.00 O ATOM 111 CB LEU A 313 0.104 5.580 -6.824 1.00 0.00 C ATOM 112 CG LEU A 313 1.472 6.219 -6.565 1.00 0.00 C ATOM 113 CD1 LEU A 313 1.567 7.558 -7.301 1.00 0.00 C ATOM 114 CD2 LEU A 313 1.655 6.455 -5.063 1.00 0.00 C ATOM 0 H LEU A 313 -0.377 5.434 -4.387 1.00 0.00 H new ATOM 0 HA LEU A 313 -0.789 7.482 -6.334 1.00 0.00 H new ATOM 0 HB2 LEU A 313 0.084 4.567 -6.421 1.00 0.00 H new ATOM 0 HB3 LEU A 313 -0.073 5.500 -7.897 1.00 0.00 H new ATOM 0 HG LEU A 313 2.251 5.549 -6.928 1.00 0.00 H new ATOM 0 HD11 LEU A 313 2.542 8.008 -7.113 1.00 0.00 H new ATOM 0 HD12 LEU A 313 1.443 7.394 -8.371 1.00 0.00 H new ATOM 0 HD13 LEU A 313 0.784 8.226 -6.943 1.00 0.00 H new ATOM 0 HD21 LEU A 313 2.629 6.910 -4.882 1.00 0.00 H new ATOM 0 HD22 LEU A 313 0.871 7.120 -4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 313 1.595 5.503 -4.535 1.00 0.00 H new ATOM 126 N LEU A 314 -2.963 5.018 -6.354 1.00 0.00 N ATOM 127 CA LEU A 314 -4.278 4.624 -6.926 1.00 0.00 C ATOM 128 C LEU A 314 -5.301 5.732 -6.673 1.00 0.00 C ATOM 129 O LEU A 314 -6.151 6.004 -7.497 1.00 0.00 O ATOM 130 CB LEU A 314 -4.742 3.332 -6.259 1.00 0.00 C ATOM 131 CG LEU A 314 -3.668 2.259 -6.436 1.00 0.00 C ATOM 132 CD1 LEU A 314 -4.129 0.967 -5.767 1.00 0.00 C ATOM 133 CD2 LEU A 314 -3.440 2.008 -7.928 1.00 0.00 C ATOM 0 H LEU A 314 -2.612 4.410 -5.614 1.00 0.00 H new ATOM 0 HA LEU A 314 -4.181 4.468 -8.000 1.00 0.00 H new ATOM 0 HB2 LEU A 314 -4.930 3.503 -5.199 1.00 0.00 H new ATOM 0 HB3 LEU A 314 -5.682 2.999 -6.700 1.00 0.00 H new ATOM 0 HG LEU A 314 -2.737 2.595 -5.978 1.00 0.00 H new ATOM 0 HD11 LEU A 314 -3.365 0.200 -5.892 1.00 0.00 H new ATOM 0 HD12 LEU A 314 -4.293 1.146 -4.704 1.00 0.00 H new ATOM 0 HD13 LEU A 314 -5.059 0.631 -6.226 1.00 0.00 H new ATOM 0 HD21 LEU A 314 -2.674 1.243 -8.055 1.00 0.00 H new ATOM 0 HD22 LEU A 314 -4.370 1.671 -8.386 1.00 0.00 H new ATOM 0 HD23 LEU A 314 -3.114 2.931 -8.407 1.00 0.00 H new ATOM 145 N CYS A 315 -5.223 6.371 -5.537 1.00 0.00 N ATOM 146 CA CYS A 315 -6.187 7.465 -5.223 1.00 0.00 C ATOM 147 C CYS A 315 -5.419 8.718 -4.791 1.00 0.00 C ATOM 148 O CYS A 315 -5.522 9.764 -5.400 1.00 0.00 O ATOM 149 CB CYS A 315 -7.115 7.019 -4.089 1.00 0.00 C ATOM 150 SG CYS A 315 -7.273 5.211 -4.095 1.00 0.00 S ATOM 0 H CYS A 315 -4.532 6.182 -4.811 1.00 0.00 H new ATOM 0 HA CYS A 315 -6.779 7.691 -6.110 1.00 0.00 H new ATOM 0 HB2 CYS A 315 -6.720 7.355 -3.130 1.00 0.00 H new ATOM 0 HB3 CYS A 315 -8.096 7.479 -4.208 1.00 0.00 H new ATOM 0 HG CYS A 315 -6.912 4.740 -2.938 1.00 0.00 H new ATOM 155 N GLY A 316 -4.650 8.616 -3.742 1.00 0.00 N ATOM 156 CA GLY A 316 -3.872 9.796 -3.261 1.00 0.00 C ATOM 157 C GLY A 316 -4.796 10.729 -2.479 1.00 0.00 C ATOM 158 O GLY A 316 -4.658 11.936 -2.518 1.00 0.00 O ATOM 0 H GLY A 316 -4.526 7.764 -3.195 1.00 0.00 H new ATOM 0 HA2 GLY A 316 -3.048 9.468 -2.628 1.00 0.00 H new ATOM 0 HA3 GLY A 316 -3.433 10.326 -4.107 1.00 0.00 H new ATOM 162 N SER A 317 -5.743 10.176 -1.776 1.00 0.00 N ATOM 163 CA SER A 317 -6.691 11.025 -0.994 1.00 0.00 C ATOM 164 C SER A 317 -5.941 11.772 0.111 1.00 0.00 C ATOM 165 O SER A 317 -6.152 12.946 0.338 1.00 0.00 O ATOM 166 CB SER A 317 -7.764 10.136 -0.366 1.00 0.00 C ATOM 167 OG SER A 317 -8.787 10.954 0.188 1.00 0.00 O ATOM 0 H SER A 317 -5.904 9.171 -1.707 1.00 0.00 H new ATOM 0 HA SER A 317 -7.155 11.751 -1.662 1.00 0.00 H new ATOM 0 HB2 SER A 317 -8.184 9.467 -1.117 1.00 0.00 H new ATOM 0 HB3 SER A 317 -7.325 9.508 0.409 1.00 0.00 H new ATOM 0 HG SER A 317 -9.478 10.387 0.590 1.00 0.00 H new ATOM 173 N GLY A 318 -5.074 11.093 0.806 1.00 0.00 N ATOM 174 CA GLY A 318 -4.313 11.746 1.908 1.00 0.00 C ATOM 175 C GLY A 318 -4.921 11.323 3.243 1.00 0.00 C ATOM 176 O GLY A 318 -4.227 10.949 4.167 1.00 0.00 O ATOM 0 H GLY A 318 -4.858 10.107 0.658 1.00 0.00 H new ATOM 0 HA2 GLY A 318 -3.263 11.458 1.864 1.00 0.00 H new ATOM 0 HA3 GLY A 318 -4.351 12.830 1.802 1.00 0.00 H new ATOM 180 N ASN A 319 -6.219 11.362 3.344 1.00 0.00 N ATOM 181 CA ASN A 319 -6.884 10.941 4.611 1.00 0.00 C ATOM 182 C ASN A 319 -6.698 9.437 4.794 1.00 0.00 C ATOM 183 O ASN A 319 -6.477 8.947 5.884 1.00 0.00 O ATOM 184 CB ASN A 319 -8.377 11.260 4.538 1.00 0.00 C ATOM 185 CG ASN A 319 -9.040 10.883 5.863 1.00 0.00 C ATOM 186 OD1 ASN A 319 -9.135 11.694 6.763 1.00 0.00 O ATOM 187 ND2 ASN A 319 -9.499 9.671 6.023 1.00 0.00 N ATOM 0 H ASN A 319 -6.851 11.667 2.604 1.00 0.00 H new ATOM 0 HA ASN A 319 -6.442 11.476 5.452 1.00 0.00 H new ATOM 0 HB2 ASN A 319 -8.524 12.320 4.333 1.00 0.00 H new ATOM 0 HB3 ASN A 319 -8.838 10.710 3.718 1.00 0.00 H new ATOM 0 HD21 ASN A 319 -9.938 9.404 6.904 1.00 0.00 H new ATOM 0 HD22 ASN A 319 -9.419 8.991 5.267 1.00 0.00 H new ATOM 194 N ASP A 320 -6.783 8.708 3.720 1.00 0.00 N ATOM 195 CA ASP A 320 -6.613 7.235 3.782 1.00 0.00 C ATOM 196 C ASP A 320 -5.170 6.911 4.168 1.00 0.00 C ATOM 197 O ASP A 320 -4.805 5.768 4.359 1.00 0.00 O ATOM 198 CB ASP A 320 -6.939 6.642 2.415 1.00 0.00 C ATOM 199 CG ASP A 320 -8.434 6.802 2.133 1.00 0.00 C ATOM 200 OD1 ASP A 320 -9.163 7.104 3.062 1.00 0.00 O ATOM 201 OD2 ASP A 320 -8.824 6.619 0.990 1.00 0.00 O ATOM 0 H ASP A 320 -6.966 9.078 2.787 1.00 0.00 H new ATOM 0 HA ASP A 320 -7.283 6.808 4.528 1.00 0.00 H new ATOM 0 HB2 ASP A 320 -6.357 7.142 1.641 1.00 0.00 H new ATOM 0 HB3 ASP A 320 -6.664 5.588 2.389 1.00 0.00 H new ATOM 206 N GLU A 321 -4.344 7.916 4.271 1.00 0.00 N ATOM 207 CA GLU A 321 -2.917 7.685 4.631 1.00 0.00 C ATOM 208 C GLU A 321 -2.833 6.814 5.885 1.00 0.00 C ATOM 209 O GLU A 321 -1.861 6.117 6.103 1.00 0.00 O ATOM 210 CB GLU A 321 -2.244 9.033 4.902 1.00 0.00 C ATOM 211 CG GLU A 321 -0.760 8.815 5.198 1.00 0.00 C ATOM 212 CD GLU A 321 -0.112 10.150 5.567 1.00 0.00 C ATOM 213 OE1 GLU A 321 -0.827 11.137 5.626 1.00 0.00 O ATOM 214 OE2 GLU A 321 1.089 10.164 5.783 1.00 0.00 O ATOM 0 H GLU A 321 -4.598 8.892 4.120 1.00 0.00 H new ATOM 0 HA GLU A 321 -2.413 7.178 3.809 1.00 0.00 H new ATOM 0 HB2 GLU A 321 -2.361 9.689 4.039 1.00 0.00 H new ATOM 0 HB3 GLU A 321 -2.725 9.528 5.746 1.00 0.00 H new ATOM 0 HG2 GLU A 321 -0.642 8.103 6.015 1.00 0.00 H new ATOM 0 HG3 GLU A 321 -0.264 8.386 4.327 1.00 0.00 H new ATOM 221 N ASP A 322 -3.836 6.847 6.716 1.00 0.00 N ATOM 222 CA ASP A 322 -3.805 6.022 7.952 1.00 0.00 C ATOM 223 C ASP A 322 -3.646 4.538 7.594 1.00 0.00 C ATOM 224 O ASP A 322 -2.959 3.803 8.275 1.00 0.00 O ATOM 225 CB ASP A 322 -5.112 6.222 8.720 1.00 0.00 C ATOM 226 CG ASP A 322 -5.178 7.656 9.250 1.00 0.00 C ATOM 227 OD1 ASP A 322 -4.161 8.329 9.209 1.00 0.00 O ATOM 228 OD2 ASP A 322 -6.244 8.056 9.688 1.00 0.00 O ATOM 0 H ASP A 322 -4.677 7.411 6.591 1.00 0.00 H new ATOM 0 HA ASP A 322 -2.960 6.330 8.568 1.00 0.00 H new ATOM 0 HB2 ASP A 322 -5.963 6.024 8.068 1.00 0.00 H new ATOM 0 HB3 ASP A 322 -5.172 5.514 9.547 1.00 0.00 H new ATOM 233 N ARG A 323 -4.277 4.093 6.538 1.00 0.00 N ATOM 234 CA ARG A 323 -4.166 2.654 6.147 1.00 0.00 C ATOM 235 C ARG A 323 -3.331 2.494 4.875 1.00 0.00 C ATOM 236 O ARG A 323 -3.298 1.434 4.281 1.00 0.00 O ATOM 237 CB ARG A 323 -5.557 2.067 5.913 1.00 0.00 C ATOM 238 CG ARG A 323 -6.307 1.978 7.242 1.00 0.00 C ATOM 239 CD ARG A 323 -7.604 1.195 7.039 1.00 0.00 C ATOM 240 NE ARG A 323 -8.462 1.903 6.047 1.00 0.00 N ATOM 241 CZ ARG A 323 -9.147 2.953 6.410 1.00 0.00 C ATOM 242 NH1 ARG A 323 -9.081 3.382 7.641 1.00 0.00 N ATOM 243 NH2 ARG A 323 -9.899 3.574 5.543 1.00 0.00 N ATOM 0 H ARG A 323 -4.864 4.663 5.929 1.00 0.00 H new ATOM 0 HA ARG A 323 -3.672 2.122 6.960 1.00 0.00 H new ATOM 0 HB2 ARG A 323 -6.112 2.690 5.212 1.00 0.00 H new ATOM 0 HB3 ARG A 323 -5.474 1.077 5.464 1.00 0.00 H new ATOM 0 HG2 ARG A 323 -5.686 1.487 7.991 1.00 0.00 H new ATOM 0 HG3 ARG A 323 -6.527 2.978 7.616 1.00 0.00 H new ATOM 0 HD2 ARG A 323 -7.382 0.187 6.689 1.00 0.00 H new ATOM 0 HD3 ARG A 323 -8.133 1.094 7.987 1.00 0.00 H new ATOM 0 HE ARG A 323 -8.514 1.567 5.085 1.00 0.00 H new ATOM 0 HH11 ARG A 323 -8.494 2.897 8.319 1.00 0.00 H new ATOM 0 HH12 ARG A 323 -9.616 4.203 7.924 1.00 0.00 H new ATOM 0 HH21 ARG A 323 -9.952 3.239 4.581 1.00 0.00 H new ATOM 0 HH22 ARG A 323 -10.434 4.395 5.827 1.00 0.00 H new ATOM 257 N LEU A 324 -2.650 3.519 4.446 1.00 0.00 N ATOM 258 CA LEU A 324 -1.824 3.383 3.212 1.00 0.00 C ATOM 259 C LEU A 324 -0.674 2.417 3.490 1.00 0.00 C ATOM 260 O LEU A 324 0.063 2.566 4.444 1.00 0.00 O ATOM 261 CB LEU A 324 -1.280 4.755 2.808 1.00 0.00 C ATOM 262 CG LEU A 324 -0.355 4.620 1.591 1.00 0.00 C ATOM 263 CD1 LEU A 324 -0.289 5.962 0.862 1.00 0.00 C ATOM 264 CD2 LEU A 324 1.063 4.214 2.028 1.00 0.00 C ATOM 0 H LEU A 324 -2.628 4.437 4.890 1.00 0.00 H new ATOM 0 HA LEU A 324 -2.432 2.994 2.395 1.00 0.00 H new ATOM 0 HB2 LEU A 324 -2.105 5.427 2.574 1.00 0.00 H new ATOM 0 HB3 LEU A 324 -0.735 5.198 3.641 1.00 0.00 H new ATOM 0 HG LEU A 324 -0.753 3.849 0.932 1.00 0.00 H new ATOM 0 HD11 LEU A 324 0.367 5.874 -0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 324 -1.288 6.247 0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 324 0.102 6.724 1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 324 1.703 4.124 1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 324 1.469 4.973 2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 324 1.023 3.257 2.548 1.00 0.00 H new ATOM 276 N LEU A 325 -0.531 1.412 2.670 1.00 0.00 N ATOM 277 CA LEU A 325 0.551 0.418 2.889 1.00 0.00 C ATOM 278 C LEU A 325 1.714 0.690 1.931 1.00 0.00 C ATOM 279 O LEU A 325 1.529 0.828 0.737 1.00 0.00 O ATOM 280 CB LEU A 325 -0.003 -0.984 2.626 1.00 0.00 C ATOM 281 CG LEU A 325 1.014 -2.030 3.080 1.00 0.00 C ATOM 282 CD1 LEU A 325 0.638 -2.531 4.476 1.00 0.00 C ATOM 283 CD2 LEU A 325 1.013 -3.205 2.101 1.00 0.00 C ATOM 0 H LEU A 325 -1.120 1.238 1.856 1.00 0.00 H new ATOM 0 HA LEU A 325 0.910 0.493 3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -0.943 -1.121 3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -0.218 -1.108 1.565 1.00 0.00 H new ATOM 0 HG LEU A 325 2.007 -1.582 3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 325 1.362 -3.277 4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 325 0.639 -1.695 5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -0.356 -2.978 4.447 1.00 0.00 H new ATOM 0 HD21 LEU A 325 1.739 -3.950 2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 325 0.020 -3.654 2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 325 1.279 -2.849 1.106 1.00 0.00 H new ATOM 295 N LEU A 326 2.912 0.758 2.444 1.00 0.00 N ATOM 296 CA LEU A 326 4.087 1.008 1.570 1.00 0.00 C ATOM 297 C LEU A 326 4.675 -0.332 1.124 1.00 0.00 C ATOM 298 O LEU A 326 4.756 -1.269 1.894 1.00 0.00 O ATOM 299 CB LEU A 326 5.138 1.789 2.357 1.00 0.00 C ATOM 300 CG LEU A 326 5.503 1.014 3.621 1.00 0.00 C ATOM 301 CD1 LEU A 326 6.881 0.374 3.445 1.00 0.00 C ATOM 302 CD2 LEU A 326 5.533 1.972 4.814 1.00 0.00 C ATOM 0 H LEU A 326 3.126 0.650 3.436 1.00 0.00 H new ATOM 0 HA LEU A 326 3.784 1.583 0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 326 6.026 1.946 1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 326 4.754 2.775 2.619 1.00 0.00 H new ATOM 0 HG LEU A 326 4.761 0.235 3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 326 7.143 -0.180 4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 326 6.860 -0.307 2.594 1.00 0.00 H new ATOM 0 HD13 LEU A 326 7.624 1.152 3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 326 5.793 1.420 5.717 1.00 0.00 H new ATOM 0 HD22 LEU A 326 6.276 2.750 4.637 1.00 0.00 H new ATOM 0 HD23 LEU A 326 4.551 2.429 4.938 1.00 0.00 H new ATOM 314 N CYS A 327 5.078 -0.437 -0.112 1.00 0.00 N ATOM 315 CA CYS A 327 5.648 -1.722 -0.601 1.00 0.00 C ATOM 316 C CYS A 327 7.167 -1.722 -0.420 1.00 0.00 C ATOM 317 O CYS A 327 7.876 -0.957 -1.044 1.00 0.00 O ATOM 318 CB CYS A 327 5.319 -1.891 -2.081 1.00 0.00 C ATOM 319 SG CYS A 327 6.163 -3.355 -2.723 1.00 0.00 S ATOM 0 H CYS A 327 5.037 0.312 -0.804 1.00 0.00 H new ATOM 0 HA CYS A 327 5.217 -2.544 -0.029 1.00 0.00 H new ATOM 0 HB2 CYS A 327 4.242 -1.991 -2.216 1.00 0.00 H new ATOM 0 HB3 CYS A 327 5.629 -1.006 -2.637 1.00 0.00 H new ATOM 0 HG CYS A 327 5.611 -3.718 -3.843 1.00 0.00 H new ATOM 324 N ASP A 328 7.671 -2.581 0.424 1.00 0.00 N ATOM 325 CA ASP A 328 9.145 -2.638 0.641 1.00 0.00 C ATOM 326 C ASP A 328 9.833 -3.195 -0.609 1.00 0.00 C ATOM 327 O ASP A 328 10.899 -2.756 -0.990 1.00 0.00 O ATOM 328 CB ASP A 328 9.448 -3.546 1.836 1.00 0.00 C ATOM 329 CG ASP A 328 8.886 -2.915 3.112 1.00 0.00 C ATOM 330 OD1 ASP A 328 8.536 -1.747 3.068 1.00 0.00 O ATOM 331 OD2 ASP A 328 8.816 -3.611 4.112 1.00 0.00 O ATOM 0 H ASP A 328 7.126 -3.246 0.973 1.00 0.00 H new ATOM 0 HA ASP A 328 9.519 -1.633 0.839 1.00 0.00 H new ATOM 0 HB2 ASP A 328 9.007 -4.530 1.680 1.00 0.00 H new ATOM 0 HB3 ASP A 328 10.524 -3.691 1.933 1.00 0.00 H new ATOM 336 N GLY A 329 9.234 -4.167 -1.241 1.00 0.00 N ATOM 337 CA GLY A 329 9.854 -4.764 -2.460 1.00 0.00 C ATOM 338 C GLY A 329 10.071 -3.683 -3.520 1.00 0.00 C ATOM 339 O GLY A 329 11.075 -3.664 -4.205 1.00 0.00 O ATOM 0 H GLY A 329 8.340 -4.575 -0.966 1.00 0.00 H new ATOM 0 HA2 GLY A 329 10.806 -5.229 -2.203 1.00 0.00 H new ATOM 0 HA3 GLY A 329 9.212 -5.550 -2.857 1.00 0.00 H new ATOM 343 N CYS A 330 9.140 -2.784 -3.660 1.00 0.00 N ATOM 344 CA CYS A 330 9.294 -1.705 -4.676 1.00 0.00 C ATOM 345 C CYS A 330 8.631 -0.429 -4.159 1.00 0.00 C ATOM 346 O CYS A 330 7.780 -0.470 -3.292 1.00 0.00 O ATOM 347 CB CYS A 330 8.634 -2.138 -5.989 1.00 0.00 C ATOM 348 SG CYS A 330 6.881 -1.689 -5.971 1.00 0.00 S ATOM 0 H CYS A 330 8.278 -2.748 -3.115 1.00 0.00 H new ATOM 0 HA CYS A 330 10.353 -1.517 -4.854 1.00 0.00 H new ATOM 0 HB2 CYS A 330 9.133 -1.660 -6.832 1.00 0.00 H new ATOM 0 HB3 CYS A 330 8.742 -3.214 -6.123 1.00 0.00 H new ATOM 0 HG CYS A 330 6.324 -2.159 -4.895 1.00 0.00 H new ATOM 353 N ASP A 331 9.014 0.705 -4.675 1.00 0.00 N ATOM 354 CA ASP A 331 8.404 1.977 -4.198 1.00 0.00 C ATOM 355 C ASP A 331 6.966 2.073 -4.707 1.00 0.00 C ATOM 356 O ASP A 331 6.698 2.659 -5.737 1.00 0.00 O ATOM 357 CB ASP A 331 9.214 3.162 -4.729 1.00 0.00 C ATOM 358 CG ASP A 331 8.696 4.456 -4.100 1.00 0.00 C ATOM 359 OD1 ASP A 331 7.832 4.372 -3.243 1.00 0.00 O ATOM 360 OD2 ASP A 331 9.173 5.511 -4.487 1.00 0.00 O ATOM 0 H ASP A 331 9.720 0.806 -5.404 1.00 0.00 H new ATOM 0 HA ASP A 331 8.406 1.996 -3.108 1.00 0.00 H new ATOM 0 HB2 ASP A 331 10.270 3.029 -4.495 1.00 0.00 H new ATOM 0 HB3 ASP A 331 9.133 3.215 -5.815 1.00 0.00 H new ATOM 365 N ASP A 332 6.038 1.507 -3.987 1.00 0.00 N ATOM 366 CA ASP A 332 4.614 1.570 -4.419 1.00 0.00 C ATOM 367 C ASP A 332 3.720 1.665 -3.184 1.00 0.00 C ATOM 368 O ASP A 332 3.837 0.878 -2.266 1.00 0.00 O ATOM 369 CB ASP A 332 4.264 0.306 -5.209 1.00 0.00 C ATOM 370 CG ASP A 332 2.852 0.439 -5.784 1.00 0.00 C ATOM 371 OD1 ASP A 332 2.274 1.504 -5.644 1.00 0.00 O ATOM 372 OD2 ASP A 332 2.374 -0.527 -6.356 1.00 0.00 O ATOM 0 H ASP A 332 6.205 1.003 -3.116 1.00 0.00 H new ATOM 0 HA ASP A 332 4.460 2.444 -5.051 1.00 0.00 H new ATOM 0 HB2 ASP A 332 4.983 0.156 -6.014 1.00 0.00 H new ATOM 0 HB3 ASP A 332 4.324 -0.569 -4.561 1.00 0.00 H new ATOM 377 N SER A 333 2.830 2.622 -3.151 1.00 0.00 N ATOM 378 CA SER A 333 1.933 2.763 -1.968 1.00 0.00 C ATOM 379 C SER A 333 0.473 2.615 -2.401 1.00 0.00 C ATOM 380 O SER A 333 0.055 3.141 -3.415 1.00 0.00 O ATOM 381 CB SER A 333 2.135 4.143 -1.345 1.00 0.00 C ATOM 382 OG SER A 333 3.496 4.293 -0.964 1.00 0.00 O ATOM 0 H SER A 333 2.686 3.310 -3.890 1.00 0.00 H new ATOM 0 HA SER A 333 2.173 1.988 -1.240 1.00 0.00 H new ATOM 0 HB2 SER A 333 1.857 4.920 -2.057 1.00 0.00 H new ATOM 0 HB3 SER A 333 1.487 4.261 -0.476 1.00 0.00 H new ATOM 0 HG SER A 333 3.750 5.238 -1.024 1.00 0.00 H new ATOM 388 N TYR A 334 -0.306 1.911 -1.626 1.00 0.00 N ATOM 389 CA TYR A 334 -1.745 1.728 -1.968 1.00 0.00 C ATOM 390 C TYR A 334 -2.539 1.462 -0.690 1.00 0.00 C ATOM 391 O TYR A 334 -1.994 1.047 0.313 1.00 0.00 O ATOM 392 CB TYR A 334 -1.910 0.554 -2.935 1.00 0.00 C ATOM 393 CG TYR A 334 -1.057 -0.607 -2.489 1.00 0.00 C ATOM 394 CD1 TYR A 334 -1.386 -1.321 -1.332 1.00 0.00 C ATOM 395 CD2 TYR A 334 0.065 -0.971 -3.241 1.00 0.00 C ATOM 396 CE1 TYR A 334 -0.593 -2.401 -0.926 1.00 0.00 C ATOM 397 CE2 TYR A 334 0.859 -2.050 -2.837 1.00 0.00 C ATOM 398 CZ TYR A 334 0.530 -2.766 -1.679 1.00 0.00 C ATOM 399 OH TYR A 334 1.313 -3.829 -1.279 1.00 0.00 O ATOM 0 H TYR A 334 -0.006 1.452 -0.766 1.00 0.00 H new ATOM 0 HA TYR A 334 -2.119 2.633 -2.447 1.00 0.00 H new ATOM 0 HB2 TYR A 334 -2.956 0.252 -2.977 1.00 0.00 H new ATOM 0 HB3 TYR A 334 -1.625 0.859 -3.942 1.00 0.00 H new ATOM 0 HD1 TYR A 334 -2.252 -1.039 -0.752 1.00 0.00 H new ATOM 0 HD2 TYR A 334 0.319 -0.419 -4.134 1.00 0.00 H new ATOM 0 HE1 TYR A 334 -0.847 -2.952 -0.033 1.00 0.00 H new ATOM 0 HE2 TYR A 334 1.725 -2.331 -3.418 1.00 0.00 H new ATOM 0 HH TYR A 334 2.094 -3.495 -0.790 1.00 0.00 H new ATOM 409 N HIS A 335 -3.822 1.699 -0.712 1.00 0.00 N ATOM 410 CA HIS A 335 -4.636 1.458 0.509 1.00 0.00 C ATOM 411 C HIS A 335 -4.922 -0.035 0.646 1.00 0.00 C ATOM 412 O HIS A 335 -4.942 -0.768 -0.323 1.00 0.00 O ATOM 413 CB HIS A 335 -5.956 2.223 0.410 1.00 0.00 C ATOM 414 CG HIS A 335 -5.664 3.686 0.271 1.00 0.00 C ATOM 415 ND1 HIS A 335 -6.238 4.471 -0.723 1.00 0.00 N ATOM 416 CD2 HIS A 335 -4.855 4.526 0.994 1.00 0.00 C ATOM 417 CE1 HIS A 335 -5.768 5.723 -0.563 1.00 0.00 C ATOM 418 NE2 HIS A 335 -4.923 5.806 0.464 1.00 0.00 N ATOM 0 H HIS A 335 -4.338 2.048 -1.520 1.00 0.00 H new ATOM 0 HA HIS A 335 -4.084 1.804 1.382 1.00 0.00 H new ATOM 0 HB2 HIS A 335 -6.531 1.871 -0.446 1.00 0.00 H new ATOM 0 HB3 HIS A 335 -6.563 2.043 1.297 1.00 0.00 H new ATOM 0 HD2 HIS A 335 -4.257 4.235 1.845 1.00 0.00 H new ATOM 0 HE1 HIS A 335 -6.043 6.558 -1.191 1.00 0.00 H new ATOM 0 HE2 HIS A 335 -4.430 6.637 0.792 1.00 0.00 H new ATOM 426 N THR A 336 -5.135 -0.492 1.846 1.00 0.00 N ATOM 427 CA THR A 336 -5.410 -1.933 2.061 1.00 0.00 C ATOM 428 C THR A 336 -6.778 -2.300 1.477 1.00 0.00 C ATOM 429 O THR A 336 -7.077 -3.457 1.265 1.00 0.00 O ATOM 430 CB THR A 336 -5.406 -2.214 3.564 1.00 0.00 C ATOM 431 OG1 THR A 336 -6.491 -1.528 4.175 1.00 0.00 O ATOM 432 CG2 THR A 336 -4.088 -1.732 4.172 1.00 0.00 C ATOM 0 H THR A 336 -5.130 0.077 2.692 1.00 0.00 H new ATOM 0 HA THR A 336 -4.644 -2.529 1.565 1.00 0.00 H new ATOM 0 HB THR A 336 -5.511 -3.286 3.734 1.00 0.00 H new ATOM 0 HG1 THR A 336 -7.113 -2.179 4.563 1.00 0.00 H new ATOM 0 HG21 THR A 336 -4.087 -1.933 5.243 1.00 0.00 H new ATOM 0 HG22 THR A 336 -3.257 -2.259 3.703 1.00 0.00 H new ATOM 0 HG23 THR A 336 -3.980 -0.661 4.004 1.00 0.00 H new ATOM 440 N PHE A 337 -7.615 -1.324 1.232 1.00 0.00 N ATOM 441 CA PHE A 337 -8.971 -1.622 0.683 1.00 0.00 C ATOM 442 C PHE A 337 -9.102 -1.130 -0.763 1.00 0.00 C ATOM 443 O PHE A 337 -10.170 -1.197 -1.340 1.00 0.00 O ATOM 444 CB PHE A 337 -10.024 -0.915 1.537 1.00 0.00 C ATOM 445 CG PHE A 337 -9.756 0.568 1.515 1.00 0.00 C ATOM 446 CD1 PHE A 337 -10.264 1.354 0.476 1.00 0.00 C ATOM 447 CD2 PHE A 337 -8.989 1.155 2.528 1.00 0.00 C ATOM 448 CE1 PHE A 337 -10.007 2.728 0.449 1.00 0.00 C ATOM 449 CE2 PHE A 337 -8.732 2.529 2.502 1.00 0.00 C ATOM 450 CZ PHE A 337 -9.240 3.317 1.462 1.00 0.00 C ATOM 0 H PHE A 337 -7.418 -0.336 1.388 1.00 0.00 H new ATOM 0 HA PHE A 337 -9.118 -2.702 0.702 1.00 0.00 H new ATOM 0 HB2 PHE A 337 -11.023 -1.123 1.153 1.00 0.00 H new ATOM 0 HB3 PHE A 337 -9.992 -1.289 2.560 1.00 0.00 H new ATOM 0 HD1 PHE A 337 -10.855 0.900 -0.306 1.00 0.00 H new ATOM 0 HD2 PHE A 337 -8.596 0.547 3.329 1.00 0.00 H new ATOM 0 HE1 PHE A 337 -10.400 3.335 -0.353 1.00 0.00 H new ATOM 0 HE2 PHE A 337 -8.142 2.983 3.284 1.00 0.00 H new ATOM 0 HZ PHE A 337 -9.040 4.378 1.441 1.00 0.00 H new ATOM 460 N CYS A 338 -8.047 -0.630 -1.356 1.00 0.00 N ATOM 461 CA CYS A 338 -8.155 -0.133 -2.765 1.00 0.00 C ATOM 462 C CYS A 338 -7.120 -0.828 -3.654 1.00 0.00 C ATOM 463 O CYS A 338 -6.636 -0.263 -4.614 1.00 0.00 O ATOM 464 CB CYS A 338 -7.946 1.389 -2.796 1.00 0.00 C ATOM 465 SG CYS A 338 -6.193 1.782 -3.024 1.00 0.00 S ATOM 0 H CYS A 338 -7.123 -0.544 -0.932 1.00 0.00 H new ATOM 0 HA CYS A 338 -9.149 -0.363 -3.147 1.00 0.00 H new ATOM 0 HB2 CYS A 338 -8.531 1.826 -3.605 1.00 0.00 H new ATOM 0 HB3 CYS A 338 -8.306 1.831 -1.867 1.00 0.00 H new ATOM 0 HG CYS A 338 -5.883 2.818 -2.303 1.00 0.00 H new ATOM 470 N LEU A 339 -6.792 -2.057 -3.354 1.00 0.00 N ATOM 471 CA LEU A 339 -5.801 -2.790 -4.200 1.00 0.00 C ATOM 472 C LEU A 339 -5.685 -4.244 -3.740 1.00 0.00 C ATOM 473 O LEU A 339 -5.657 -5.158 -4.538 1.00 0.00 O ATOM 474 CB LEU A 339 -4.428 -2.123 -4.084 1.00 0.00 C ATOM 475 CG LEU A 339 -3.459 -2.765 -5.084 1.00 0.00 C ATOM 476 CD1 LEU A 339 -3.824 -2.347 -6.511 1.00 0.00 C ATOM 477 CD2 LEU A 339 -2.032 -2.309 -4.773 1.00 0.00 C ATOM 0 H LEU A 339 -7.165 -2.584 -2.564 1.00 0.00 H new ATOM 0 HA LEU A 339 -6.141 -2.763 -5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 339 -4.514 -1.054 -4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 339 -4.044 -2.231 -3.070 1.00 0.00 H new ATOM 0 HG LEU A 339 -3.527 -3.850 -5.000 1.00 0.00 H new ATOM 0 HD11 LEU A 339 -3.130 -2.808 -7.214 1.00 0.00 H new ATOM 0 HD12 LEU A 339 -4.839 -2.673 -6.737 1.00 0.00 H new ATOM 0 HD13 LEU A 339 -3.763 -1.262 -6.599 1.00 0.00 H new ATOM 0 HD21 LEU A 339 -1.342 -2.764 -5.483 1.00 0.00 H new ATOM 0 HD22 LEU A 339 -1.971 -1.224 -4.853 1.00 0.00 H new ATOM 0 HD23 LEU A 339 -1.765 -2.614 -3.761 1.00 0.00 H new ATOM 489 N ILE A 340 -5.592 -4.457 -2.460 1.00 0.00 N ATOM 490 CA ILE A 340 -5.446 -5.840 -1.935 1.00 0.00 C ATOM 491 C ILE A 340 -6.719 -6.246 -1.180 1.00 0.00 C ATOM 492 O ILE A 340 -7.400 -5.410 -0.619 1.00 0.00 O ATOM 493 CB ILE A 340 -4.247 -5.849 -0.989 1.00 0.00 C ATOM 494 CG1 ILE A 340 -4.573 -4.997 0.236 1.00 0.00 C ATOM 495 CG2 ILE A 340 -3.031 -5.260 -1.706 1.00 0.00 C ATOM 496 CD1 ILE A 340 -3.319 -4.841 1.100 1.00 0.00 C ATOM 0 H ILE A 340 -5.611 -3.726 -1.749 1.00 0.00 H new ATOM 0 HA ILE A 340 -5.293 -6.549 -2.749 1.00 0.00 H new ATOM 0 HB ILE A 340 -4.028 -6.871 -0.681 1.00 0.00 H new ATOM 0 HG12 ILE A 340 -4.937 -4.018 -0.076 1.00 0.00 H new ATOM 0 HG13 ILE A 340 -5.370 -5.464 0.815 1.00 0.00 H new ATOM 0 HG21 ILE A 340 -2.174 -5.265 -1.033 1.00 0.00 H new ATOM 0 HG22 ILE A 340 -2.803 -5.859 -2.588 1.00 0.00 H new ATOM 0 HG23 ILE A 340 -3.248 -4.236 -2.009 1.00 0.00 H new ATOM 0 HD11 ILE A 340 -3.553 -4.233 1.974 1.00 0.00 H new ATOM 0 HD12 ILE A 340 -2.975 -5.824 1.423 1.00 0.00 H new ATOM 0 HD13 ILE A 340 -2.535 -4.355 0.519 1.00 0.00 H new ATOM 508 N PRO A 341 -7.041 -7.522 -1.158 1.00 0.00 N ATOM 509 CA PRO A 341 -8.248 -8.020 -0.451 1.00 0.00 C ATOM 510 C PRO A 341 -8.406 -7.385 0.939 1.00 0.00 C ATOM 511 O PRO A 341 -9.458 -6.869 1.255 1.00 0.00 O ATOM 512 CB PRO A 341 -8.059 -9.540 -0.351 1.00 0.00 C ATOM 513 CG PRO A 341 -6.781 -9.874 -1.065 1.00 0.00 C ATOM 514 CD PRO A 341 -6.300 -8.618 -1.794 1.00 0.00 C ATOM 0 HA PRO A 341 -9.158 -7.756 -0.990 1.00 0.00 H new ATOM 0 HB2 PRO A 341 -8.011 -9.854 0.692 1.00 0.00 H new ATOM 0 HB3 PRO A 341 -8.901 -10.063 -0.804 1.00 0.00 H new ATOM 0 HG2 PRO A 341 -6.027 -10.214 -0.356 1.00 0.00 H new ATOM 0 HG3 PRO A 341 -6.942 -10.687 -1.773 1.00 0.00 H new ATOM 0 HD2 PRO A 341 -5.223 -8.484 -1.688 1.00 0.00 H new ATOM 0 HD3 PRO A 341 -6.510 -8.673 -2.862 1.00 0.00 H new ATOM 522 N PRO A 342 -7.373 -7.394 1.761 1.00 0.00 N ATOM 523 CA PRO A 342 -7.431 -6.773 3.108 1.00 0.00 C ATOM 524 C PRO A 342 -8.306 -5.515 3.126 1.00 0.00 C ATOM 525 O PRO A 342 -8.611 -4.950 2.095 1.00 0.00 O ATOM 526 CB PRO A 342 -5.973 -6.420 3.387 1.00 0.00 C ATOM 527 CG PRO A 342 -5.162 -7.426 2.634 1.00 0.00 C ATOM 528 CD PRO A 342 -6.050 -8.004 1.526 1.00 0.00 C ATOM 0 HA PRO A 342 -7.873 -7.435 3.852 1.00 0.00 H new ATOM 0 HB2 PRO A 342 -5.745 -5.407 3.056 1.00 0.00 H new ATOM 0 HB3 PRO A 342 -5.757 -6.463 4.455 1.00 0.00 H new ATOM 0 HG2 PRO A 342 -4.274 -6.960 2.208 1.00 0.00 H new ATOM 0 HG3 PRO A 342 -4.818 -8.217 3.301 1.00 0.00 H new ATOM 0 HD2 PRO A 342 -5.666 -7.752 0.537 1.00 0.00 H new ATOM 0 HD3 PRO A 342 -6.098 -9.091 1.582 1.00 0.00 H new ATOM 536 N LEU A 343 -8.717 -5.073 4.283 1.00 0.00 N ATOM 537 CA LEU A 343 -9.582 -3.861 4.349 1.00 0.00 C ATOM 538 C LEU A 343 -9.131 -2.940 5.484 1.00 0.00 C ATOM 539 O LEU A 343 -7.973 -2.589 5.596 1.00 0.00 O ATOM 540 CB LEU A 343 -11.034 -4.285 4.595 1.00 0.00 C ATOM 541 CG LEU A 343 -11.525 -5.158 3.435 1.00 0.00 C ATOM 542 CD1 LEU A 343 -12.915 -5.704 3.765 1.00 0.00 C ATOM 543 CD2 LEU A 343 -11.608 -4.318 2.155 1.00 0.00 C ATOM 0 H LEU A 343 -8.492 -5.497 5.183 1.00 0.00 H new ATOM 0 HA LEU A 343 -9.502 -3.324 3.404 1.00 0.00 H new ATOM 0 HB2 LEU A 343 -11.107 -4.836 5.533 1.00 0.00 H new ATOM 0 HB3 LEU A 343 -11.668 -3.404 4.692 1.00 0.00 H new ATOM 0 HG LEU A 343 -10.828 -5.983 3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 343 -13.267 -6.325 2.941 1.00 0.00 H new ATOM 0 HD12 LEU A 343 -12.864 -6.302 4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 343 -13.606 -4.874 3.914 1.00 0.00 H new ATOM 0 HD21 LEU A 343 -11.957 -4.942 1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 343 -12.304 -3.493 2.306 1.00 0.00 H new ATOM 0 HD23 LEU A 343 -10.621 -3.921 1.916 1.00 0.00 H new ATOM 555 N HIS A 344 -10.050 -2.533 6.318 1.00 0.00 N ATOM 556 CA HIS A 344 -9.701 -1.620 7.442 1.00 0.00 C ATOM 557 C HIS A 344 -8.526 -2.189 8.237 1.00 0.00 C ATOM 558 O HIS A 344 -7.674 -1.462 8.707 1.00 0.00 O ATOM 559 CB HIS A 344 -10.911 -1.467 8.366 1.00 0.00 C ATOM 560 CG HIS A 344 -12.041 -0.823 7.609 1.00 0.00 C ATOM 561 ND1 HIS A 344 -13.054 -1.567 7.018 1.00 0.00 N ATOM 562 CD2 HIS A 344 -12.332 0.491 7.338 1.00 0.00 C ATOM 563 CE1 HIS A 344 -13.898 -0.701 6.426 1.00 0.00 C ATOM 564 NE2 HIS A 344 -13.504 0.562 6.592 1.00 0.00 N ATOM 0 H HIS A 344 -11.034 -2.796 6.267 1.00 0.00 H new ATOM 0 HA HIS A 344 -9.420 -0.648 7.036 1.00 0.00 H new ATOM 0 HB2 HIS A 344 -11.220 -2.442 8.743 1.00 0.00 H new ATOM 0 HB3 HIS A 344 -10.647 -0.860 9.232 1.00 0.00 H new ATOM 0 HD2 HIS A 344 -11.742 1.338 7.655 1.00 0.00 H new ATOM 0 HE1 HIS A 344 -14.785 -0.993 5.883 1.00 0.00 H new ATOM 0 HE2 HIS A 344 -13.965 1.403 6.245 1.00 0.00 H new ATOM 573 N ASP A 345 -8.476 -3.481 8.401 1.00 0.00 N ATOM 574 CA ASP A 345 -7.358 -4.086 9.174 1.00 0.00 C ATOM 575 C ASP A 345 -6.141 -4.280 8.267 1.00 0.00 C ATOM 576 O ASP A 345 -6.193 -4.992 7.284 1.00 0.00 O ATOM 577 CB ASP A 345 -7.798 -5.441 9.734 1.00 0.00 C ATOM 578 CG ASP A 345 -6.699 -6.002 10.638 1.00 0.00 C ATOM 579 OD1 ASP A 345 -5.732 -5.294 10.871 1.00 0.00 O ATOM 580 OD2 ASP A 345 -6.841 -7.130 11.081 1.00 0.00 O ATOM 0 H ASP A 345 -9.160 -4.143 8.034 1.00 0.00 H new ATOM 0 HA ASP A 345 -7.090 -3.421 9.995 1.00 0.00 H new ATOM 0 HB2 ASP A 345 -8.725 -5.330 10.297 1.00 0.00 H new ATOM 0 HB3 ASP A 345 -8.002 -6.135 8.918 1.00 0.00 H new ATOM 585 N VAL A 346 -5.045 -3.651 8.592 1.00 0.00 N ATOM 586 CA VAL A 346 -3.822 -3.796 7.754 1.00 0.00 C ATOM 587 C VAL A 346 -3.270 -5.224 7.907 1.00 0.00 C ATOM 588 O VAL A 346 -3.194 -5.740 9.004 1.00 0.00 O ATOM 589 CB VAL A 346 -2.771 -2.787 8.232 1.00 0.00 C ATOM 590 CG1 VAL A 346 -1.537 -2.852 7.331 1.00 0.00 C ATOM 591 CG2 VAL A 346 -3.363 -1.377 8.180 1.00 0.00 C ATOM 0 H VAL A 346 -4.944 -3.042 9.404 1.00 0.00 H new ATOM 0 HA VAL A 346 -4.062 -3.610 6.707 1.00 0.00 H new ATOM 0 HB VAL A 346 -2.481 -3.029 9.254 1.00 0.00 H new ATOM 0 HG11 VAL A 346 -0.795 -2.132 7.677 1.00 0.00 H new ATOM 0 HG12 VAL A 346 -1.113 -3.856 7.367 1.00 0.00 H new ATOM 0 HG13 VAL A 346 -1.822 -2.615 6.306 1.00 0.00 H new ATOM 0 HG21 VAL A 346 -2.618 -0.657 8.519 1.00 0.00 H new ATOM 0 HG22 VAL A 346 -3.655 -1.142 7.156 1.00 0.00 H new ATOM 0 HG23 VAL A 346 -4.238 -1.326 8.827 1.00 0.00 H new ATOM 601 N PRO A 347 -2.884 -5.867 6.825 1.00 0.00 N ATOM 602 CA PRO A 347 -2.335 -7.255 6.878 1.00 0.00 C ATOM 603 C PRO A 347 -0.959 -7.308 7.548 1.00 0.00 C ATOM 604 O PRO A 347 -0.231 -6.334 7.566 1.00 0.00 O ATOM 605 CB PRO A 347 -2.230 -7.673 5.410 1.00 0.00 C ATOM 606 CG PRO A 347 -2.150 -6.400 4.639 1.00 0.00 C ATOM 607 CD PRO A 347 -2.921 -5.353 5.443 1.00 0.00 C ATOM 0 HA PRO A 347 -2.971 -7.914 7.469 1.00 0.00 H new ATOM 0 HB2 PRO A 347 -1.348 -8.291 5.240 1.00 0.00 H new ATOM 0 HB3 PRO A 347 -3.096 -8.262 5.107 1.00 0.00 H new ATOM 0 HG2 PRO A 347 -1.113 -6.095 4.501 1.00 0.00 H new ATOM 0 HG3 PRO A 347 -2.582 -6.521 3.646 1.00 0.00 H new ATOM 0 HD2 PRO A 347 -2.455 -4.370 5.370 1.00 0.00 H new ATOM 0 HD3 PRO A 347 -3.945 -5.248 5.083 1.00 0.00 H new ATOM 615 N LYS A 348 -0.593 -8.434 8.097 1.00 0.00 N ATOM 616 CA LYS A 348 0.738 -8.538 8.758 1.00 0.00 C ATOM 617 C LYS A 348 1.832 -8.685 7.711 1.00 0.00 C ATOM 618 O LYS A 348 1.604 -9.150 6.611 1.00 0.00 O ATOM 619 CB LYS A 348 0.772 -9.746 9.689 1.00 0.00 C ATOM 620 CG LYS A 348 -0.065 -9.448 10.929 1.00 0.00 C ATOM 621 CD LYS A 348 0.038 -10.616 11.911 1.00 0.00 C ATOM 622 CE LYS A 348 -0.884 -10.361 13.105 1.00 0.00 C ATOM 623 NZ LYS A 348 -0.911 -8.903 13.408 1.00 0.00 N ATOM 0 H LYS A 348 -1.157 -9.284 8.116 1.00 0.00 H new ATOM 0 HA LYS A 348 0.907 -7.630 9.337 1.00 0.00 H new ATOM 0 HB2 LYS A 348 0.384 -10.626 9.176 1.00 0.00 H new ATOM 0 HB3 LYS A 348 1.800 -9.971 9.975 1.00 0.00 H new ATOM 0 HG2 LYS A 348 0.283 -8.530 11.403 1.00 0.00 H new ATOM 0 HG3 LYS A 348 -1.106 -9.287 10.648 1.00 0.00 H new ATOM 0 HD2 LYS A 348 -0.239 -11.547 11.416 1.00 0.00 H new ATOM 0 HD3 LYS A 348 1.067 -10.730 12.251 1.00 0.00 H new ATOM 0 HE2 LYS A 348 -1.890 -10.716 12.883 1.00 0.00 H new ATOM 0 HE3 LYS A 348 -0.534 -10.918 13.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 348 -1.288 -8.754 14.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 348 0.054 -8.519 13.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 348 -1.517 -8.416 12.717 1.00 0.00 H new ATOM 637 N GLY A 349 3.022 -8.288 8.049 1.00 0.00 N ATOM 638 CA GLY A 349 4.147 -8.396 7.084 1.00 0.00 C ATOM 639 C GLY A 349 4.043 -7.264 6.067 1.00 0.00 C ATOM 640 O GLY A 349 3.045 -6.577 5.987 1.00 0.00 O ATOM 0 H GLY A 349 3.266 -7.891 8.956 1.00 0.00 H new ATOM 0 HA2 GLY A 349 5.100 -8.342 7.610 1.00 0.00 H new ATOM 0 HA3 GLY A 349 4.116 -9.361 6.577 1.00 0.00 H new ATOM 644 N ASP A 350 5.061 -7.070 5.284 1.00 0.00 N ATOM 645 CA ASP A 350 5.016 -5.988 4.265 1.00 0.00 C ATOM 646 C ASP A 350 4.398 -6.538 2.979 1.00 0.00 C ATOM 647 O ASP A 350 4.960 -7.399 2.332 1.00 0.00 O ATOM 648 CB ASP A 350 6.436 -5.493 3.979 1.00 0.00 C ATOM 649 CG ASP A 350 6.379 -4.297 3.027 1.00 0.00 C ATOM 650 OD1 ASP A 350 6.181 -3.193 3.507 1.00 0.00 O ATOM 651 OD2 ASP A 350 6.533 -4.506 1.835 1.00 0.00 O ATOM 0 H ASP A 350 5.924 -7.613 5.304 1.00 0.00 H new ATOM 0 HA ASP A 350 4.415 -5.158 4.637 1.00 0.00 H new ATOM 0 HB2 ASP A 350 6.927 -5.207 4.909 1.00 0.00 H new ATOM 0 HB3 ASP A 350 7.030 -6.294 3.538 1.00 0.00 H new ATOM 656 N TRP A 351 3.248 -6.053 2.600 1.00 0.00 N ATOM 657 CA TRP A 351 2.612 -6.559 1.354 1.00 0.00 C ATOM 658 C TRP A 351 3.337 -5.957 0.153 1.00 0.00 C ATOM 659 O TRP A 351 3.688 -4.793 0.144 1.00 0.00 O ATOM 660 CB TRP A 351 1.134 -6.165 1.318 1.00 0.00 C ATOM 661 CG TRP A 351 0.331 -7.302 0.773 1.00 0.00 C ATOM 662 CD1 TRP A 351 -0.194 -8.306 1.512 1.00 0.00 C ATOM 663 CD2 TRP A 351 -0.049 -7.571 -0.609 1.00 0.00 C ATOM 664 NE1 TRP A 351 -0.872 -9.173 0.674 1.00 0.00 N ATOM 665 CE2 TRP A 351 -0.811 -8.763 -0.643 1.00 0.00 C ATOM 666 CE3 TRP A 351 0.191 -6.903 -1.823 1.00 0.00 C ATOM 667 CZ2 TRP A 351 -1.316 -9.274 -1.838 1.00 0.00 C ATOM 668 CZ3 TRP A 351 -0.316 -7.415 -3.029 1.00 0.00 C ATOM 669 CH2 TRP A 351 -1.068 -8.598 -3.036 1.00 0.00 C ATOM 0 H TRP A 351 2.724 -5.332 3.097 1.00 0.00 H new ATOM 0 HA TRP A 351 2.682 -7.646 1.324 1.00 0.00 H new ATOM 0 HB2 TRP A 351 0.790 -5.909 2.320 1.00 0.00 H new ATOM 0 HB3 TRP A 351 0.997 -5.279 0.698 1.00 0.00 H new ATOM 0 HD1 TRP A 351 -0.099 -8.413 2.582 1.00 0.00 H new ATOM 0 HE1 TRP A 351 -1.358 -10.012 0.990 1.00 0.00 H new ATOM 0 HE3 TRP A 351 0.769 -5.991 -1.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 351 -1.895 -10.186 -1.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 351 -0.125 -6.894 -3.956 1.00 0.00 H new ATOM 0 HH2 TRP A 351 -1.455 -8.987 -3.966 1.00 0.00 H new ATOM 680 N ARG A 352 3.576 -6.748 -0.852 1.00 0.00 N ATOM 681 CA ARG A 352 4.294 -6.247 -2.056 1.00 0.00 C ATOM 682 C ARG A 352 3.455 -6.510 -3.302 1.00 0.00 C ATOM 683 O ARG A 352 2.856 -7.555 -3.457 1.00 0.00 O ATOM 684 CB ARG A 352 5.640 -6.961 -2.163 1.00 0.00 C ATOM 685 CG ARG A 352 5.409 -8.467 -2.238 1.00 0.00 C ATOM 686 CD ARG A 352 6.717 -9.194 -1.933 1.00 0.00 C ATOM 687 NE ARG A 352 6.519 -10.662 -2.084 1.00 0.00 N ATOM 688 CZ ARG A 352 7.492 -11.485 -1.806 1.00 0.00 C ATOM 689 NH1 ARG A 352 8.642 -11.020 -1.398 1.00 0.00 N ATOM 690 NH2 ARG A 352 7.316 -12.771 -1.933 1.00 0.00 N ATOM 0 H ARG A 352 3.302 -7.730 -0.892 1.00 0.00 H new ATOM 0 HA ARG A 352 4.460 -5.173 -1.970 1.00 0.00 H new ATOM 0 HB2 ARG A 352 6.176 -6.619 -3.048 1.00 0.00 H new ATOM 0 HB3 ARG A 352 6.262 -6.720 -1.301 1.00 0.00 H new ATOM 0 HG2 ARG A 352 4.640 -8.764 -1.526 1.00 0.00 H new ATOM 0 HG3 ARG A 352 5.049 -8.742 -3.229 1.00 0.00 H new ATOM 0 HD2 ARG A 352 7.501 -8.851 -2.608 1.00 0.00 H new ATOM 0 HD3 ARG A 352 7.045 -8.963 -0.920 1.00 0.00 H new ATOM 0 HE ARG A 352 5.621 -11.025 -2.405 1.00 0.00 H new ATOM 0 HH11 ARG A 352 8.779 -10.014 -1.297 1.00 0.00 H new ATOM 0 HH12 ARG A 352 9.404 -11.663 -1.180 1.00 0.00 H new ATOM 0 HH21 ARG A 352 6.417 -13.134 -2.250 1.00 0.00 H new ATOM 0 HH22 ARG A 352 8.077 -13.414 -1.715 1.00 0.00 H new ATOM 704 N CYS A 353 3.403 -5.556 -4.186 1.00 0.00 N ATOM 705 CA CYS A 353 2.598 -5.722 -5.422 1.00 0.00 C ATOM 706 C CYS A 353 3.155 -6.909 -6.229 1.00 0.00 C ATOM 707 O CYS A 353 4.304 -7.273 -6.099 1.00 0.00 O ATOM 708 CB CYS A 353 2.657 -4.429 -6.244 1.00 0.00 C ATOM 709 SG CYS A 353 3.415 -3.102 -5.262 1.00 0.00 S ATOM 0 H CYS A 353 3.888 -4.662 -4.103 1.00 0.00 H new ATOM 0 HA CYS A 353 1.557 -5.925 -5.171 1.00 0.00 H new ATOM 0 HB2 CYS A 353 3.233 -4.593 -7.155 1.00 0.00 H new ATOM 0 HB3 CYS A 353 1.653 -4.137 -6.551 1.00 0.00 H new ATOM 0 HG CYS A 353 2.789 -1.985 -5.485 1.00 0.00 H new ATOM 714 N PRO A 354 2.327 -7.545 -7.016 1.00 0.00 N ATOM 715 CA PRO A 354 2.723 -8.747 -7.816 1.00 0.00 C ATOM 716 C PRO A 354 4.013 -8.561 -8.631 1.00 0.00 C ATOM 717 O PRO A 354 4.803 -9.475 -8.757 1.00 0.00 O ATOM 718 CB PRO A 354 1.532 -8.988 -8.758 1.00 0.00 C ATOM 719 CG PRO A 354 0.616 -7.815 -8.598 1.00 0.00 C ATOM 720 CD PRO A 354 0.924 -7.190 -7.241 1.00 0.00 C ATOM 0 HA PRO A 354 2.941 -9.584 -7.152 1.00 0.00 H new ATOM 0 HB2 PRO A 354 1.867 -9.080 -9.791 1.00 0.00 H new ATOM 0 HB3 PRO A 354 1.020 -9.917 -8.506 1.00 0.00 H new ATOM 0 HG2 PRO A 354 0.771 -7.093 -9.399 1.00 0.00 H new ATOM 0 HG3 PRO A 354 -0.426 -8.130 -8.650 1.00 0.00 H new ATOM 0 HD2 PRO A 354 0.780 -6.110 -7.254 1.00 0.00 H new ATOM 0 HD3 PRO A 354 0.278 -7.589 -6.459 1.00 0.00 H new ATOM 728 N LYS A 355 4.239 -7.404 -9.189 1.00 0.00 N ATOM 729 CA LYS A 355 5.484 -7.203 -9.996 1.00 0.00 C ATOM 730 C LYS A 355 6.722 -7.427 -9.126 1.00 0.00 C ATOM 731 O LYS A 355 7.718 -7.962 -9.569 1.00 0.00 O ATOM 732 CB LYS A 355 5.511 -5.781 -10.550 1.00 0.00 C ATOM 733 CG LYS A 355 5.534 -4.792 -9.388 1.00 0.00 C ATOM 734 CD LYS A 355 5.435 -3.363 -9.927 1.00 0.00 C ATOM 735 CE LYS A 355 5.734 -2.371 -8.801 1.00 0.00 C ATOM 736 NZ LYS A 355 7.194 -2.080 -8.769 1.00 0.00 N ATOM 0 H LYS A 355 3.624 -6.593 -9.125 1.00 0.00 H new ATOM 0 HA LYS A 355 5.489 -7.920 -10.817 1.00 0.00 H new ATOM 0 HB2 LYS A 355 6.389 -5.640 -11.181 1.00 0.00 H new ATOM 0 HB3 LYS A 355 4.636 -5.605 -11.176 1.00 0.00 H new ATOM 0 HG2 LYS A 355 4.705 -4.994 -8.709 1.00 0.00 H new ATOM 0 HG3 LYS A 355 6.453 -4.912 -8.814 1.00 0.00 H new ATOM 0 HD2 LYS A 355 6.140 -3.222 -10.747 1.00 0.00 H new ATOM 0 HD3 LYS A 355 4.438 -3.183 -10.329 1.00 0.00 H new ATOM 0 HE2 LYS A 355 5.172 -1.450 -8.955 1.00 0.00 H new ATOM 0 HE3 LYS A 355 5.414 -2.783 -7.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 7.414 -1.501 -7.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 7.725 -2.973 -8.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 7.464 -1.562 -9.630 1.00 0.00 H new ATOM 750 N CYS A 356 6.666 -7.014 -7.896 1.00 0.00 N ATOM 751 CA CYS A 356 7.834 -7.186 -6.987 1.00 0.00 C ATOM 752 C CYS A 356 7.992 -8.669 -6.647 1.00 0.00 C ATOM 753 O CYS A 356 9.088 -9.178 -6.527 1.00 0.00 O ATOM 754 CB CYS A 356 7.595 -6.371 -5.712 1.00 0.00 C ATOM 755 SG CYS A 356 6.077 -5.412 -5.930 1.00 0.00 S ATOM 0 H CYS A 356 5.856 -6.560 -7.474 1.00 0.00 H new ATOM 0 HA CYS A 356 8.745 -6.835 -7.471 1.00 0.00 H new ATOM 0 HB2 CYS A 356 7.507 -7.032 -4.850 1.00 0.00 H new ATOM 0 HB3 CYS A 356 8.439 -5.708 -5.521 1.00 0.00 H new ATOM 0 HG CYS A 356 5.064 -6.220 -6.036 1.00 0.00 H new ATOM 760 N LEU A 357 6.900 -9.365 -6.498 1.00 0.00 N ATOM 761 CA LEU A 357 6.975 -10.818 -6.175 1.00 0.00 C ATOM 762 C LEU A 357 7.741 -11.548 -7.280 1.00 0.00 C ATOM 763 O LEU A 357 8.500 -12.462 -7.024 1.00 0.00 O ATOM 764 CB LEU A 357 5.556 -11.384 -6.071 1.00 0.00 C ATOM 765 CG LEU A 357 5.607 -12.870 -5.697 1.00 0.00 C ATOM 766 CD1 LEU A 357 6.127 -13.026 -4.266 1.00 0.00 C ATOM 767 CD2 LEU A 357 4.200 -13.462 -5.790 1.00 0.00 C ATOM 0 H LEU A 357 5.956 -8.990 -6.586 1.00 0.00 H new ATOM 0 HA LEU A 357 7.494 -10.958 -5.227 1.00 0.00 H new ATOM 0 HB2 LEU A 357 4.990 -10.832 -5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 357 5.035 -11.258 -7.020 1.00 0.00 H new ATOM 0 HG LEU A 357 6.274 -13.392 -6.383 1.00 0.00 H new ATOM 0 HD11 LEU A 357 6.161 -14.084 -4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 357 7.128 -12.602 -4.195 1.00 0.00 H new ATOM 0 HD13 LEU A 357 5.462 -12.504 -3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 357 4.232 -14.519 -5.525 1.00 0.00 H new ATOM 0 HD22 LEU A 357 3.537 -12.935 -5.103 1.00 0.00 H new ATOM 0 HD23 LEU A 357 3.827 -13.355 -6.808 1.00 0.00 H new ATOM 779 N ALA A 358 7.545 -11.154 -8.507 1.00 0.00 N ATOM 780 CA ALA A 358 8.259 -11.827 -9.629 1.00 0.00 C ATOM 781 C ALA A 358 9.767 -11.633 -9.470 1.00 0.00 C ATOM 782 O ALA A 358 10.553 -12.500 -9.799 1.00 0.00 O ATOM 783 CB ALA A 358 7.804 -11.222 -10.959 1.00 0.00 C ATOM 0 H ALA A 358 6.921 -10.395 -8.782 1.00 0.00 H new ATOM 0 HA ALA A 358 8.029 -12.892 -9.616 1.00 0.00 H new ATOM 0 HB1 ALA A 358 8.326 -11.714 -11.780 1.00 0.00 H new ATOM 0 HB2 ALA A 358 6.730 -11.364 -11.075 1.00 0.00 H new ATOM 0 HB3 ALA A 358 8.032 -10.156 -10.971 1.00 0.00 H new ATOM 789 N GLN A 359 10.178 -10.501 -8.971 1.00 0.00 N ATOM 790 CA GLN A 359 11.637 -10.252 -8.792 1.00 0.00 C ATOM 791 C GLN A 359 12.225 -11.306 -7.852 1.00 0.00 C ATOM 792 O GLN A 359 13.353 -11.731 -8.008 1.00 0.00 O ATOM 793 CB GLN A 359 11.848 -8.858 -8.195 1.00 0.00 C ATOM 794 CG GLN A 359 11.368 -7.800 -9.190 1.00 0.00 C ATOM 795 CD GLN A 359 11.535 -6.409 -8.575 1.00 0.00 C ATOM 796 OE1 GLN A 359 11.699 -6.276 -7.378 1.00 0.00 O ATOM 797 NE2 GLN A 359 11.499 -5.359 -9.349 1.00 0.00 N ATOM 0 H GLN A 359 9.568 -9.737 -8.679 1.00 0.00 H new ATOM 0 HA GLN A 359 12.136 -10.312 -9.759 1.00 0.00 H new ATOM 0 HB2 GLN A 359 11.301 -8.766 -7.257 1.00 0.00 H new ATOM 0 HB3 GLN A 359 12.902 -8.705 -7.965 1.00 0.00 H new ATOM 0 HG2 GLN A 359 11.939 -7.871 -10.116 1.00 0.00 H new ATOM 0 HG3 GLN A 359 10.323 -7.973 -9.446 1.00 0.00 H new ATOM 0 HE21 GLN A 359 11.361 -5.470 -10.354 1.00 0.00 H new ATOM 0 HE22 GLN A 359 11.608 -4.427 -8.949 1.00 0.00 H new ATOM 806 N GLU A 360 11.470 -11.731 -6.878 1.00 0.00 N ATOM 807 CA GLU A 360 11.983 -12.756 -5.928 1.00 0.00 C ATOM 808 C GLU A 360 11.681 -14.154 -6.473 1.00 0.00 C ATOM 809 O GLU A 360 10.541 -14.575 -6.368 1.00 0.00 O ATOM 810 CB GLU A 360 11.303 -12.580 -4.569 1.00 0.00 C ATOM 811 CG GLU A 360 11.934 -13.534 -3.553 1.00 0.00 C ATOM 812 CD GLU A 360 11.187 -13.432 -2.223 1.00 0.00 C ATOM 813 OE1 GLU A 360 10.228 -12.679 -2.160 1.00 0.00 O ATOM 814 OE2 GLU A 360 11.585 -14.108 -1.289 1.00 0.00 O ATOM 815 OXT GLU A 360 12.595 -14.779 -6.985 1.00 0.00 O ATOM 0 H GLU A 360 10.518 -11.412 -6.699 1.00 0.00 H new ATOM 0 HA GLU A 360 13.060 -12.636 -5.812 1.00 0.00 H new ATOM 0 HB2 GLU A 360 11.408 -11.550 -4.229 1.00 0.00 H new ATOM 0 HB3 GLU A 360 10.235 -12.780 -4.657 1.00 0.00 H new ATOM 0 HG2 GLU A 360 11.895 -14.557 -3.926 1.00 0.00 H new ATOM 0 HG3 GLU A 360 12.986 -13.287 -3.411 1.00 0.00 H new