USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 378 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 5 GLN : amide:sc= 0 X(o=-0.012,f=0.12) USER MOD Set 1.2: A 15 GLN : amide:sc= -0.0116 X(o=-0.012,f=0.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -26:sc= 0.314 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.00857 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0282 X(o=-0.028,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.237 K(o=-0.24,f=-2.8!) USER MOD Single : B 1 PHE N :NH3+ 136:sc= 0.0553 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : B 4 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : B 5 HIS :FLIP no HD1:sc= -10.5! C(o=-11!,f=-11!) USER MOD Single : B 9 SER OG : rot 180:sc= -0.115 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 165:sc= -3.48! USER MOD Single : B 27 THR OG1 : rot -123:sc= 0.419! USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= -0.012 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.735 7.371 4.291 1.00 0.00 N ATOM 2 CA GLY A 1 -1.147 6.136 3.609 1.00 0.00 C ATOM 3 C GLY A 1 0.281 6.147 3.182 1.00 0.00 C ATOM 4 O GLY A 1 0.901 7.186 3.083 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.734 7.197 4.522 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.207 7.569 5.165 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.665 8.188 3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.279 5.293 4.288 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.751 5.931 2.725 1.00 0.00 H new ATOM 10 N ILE A 2 0.841 4.997 2.922 1.00 0.00 N ATOM 11 CA ILE A 2 2.266 4.944 2.492 1.00 0.00 C ATOM 12 C ILE A 2 2.448 5.767 1.216 1.00 0.00 C ATOM 13 O ILE A 2 3.393 6.518 1.080 1.00 0.00 O ATOM 14 CB ILE A 2 2.669 3.495 2.223 1.00 0.00 C ATOM 15 CG1 ILE A 2 4.078 3.462 1.629 1.00 0.00 C ATOM 16 CG2 ILE A 2 1.685 2.872 1.233 1.00 0.00 C ATOM 17 CD1 ILE A 2 4.785 2.175 2.059 1.00 0.00 C ATOM 0 H ILE A 2 0.373 4.093 2.989 1.00 0.00 H new ATOM 0 HA ILE A 2 2.895 5.354 3.282 1.00 0.00 H new ATOM 0 HB ILE A 2 2.654 2.932 3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.027 3.515 0.541 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.645 4.330 1.964 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.970 1.838 1.039 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.680 2.899 1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.703 3.435 0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 2 5.789 2.152 1.635 1.00 0.00 H new ATOM 0 HD12 ILE A 2 4.849 2.141 3.147 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.221 1.313 1.702 1.00 0.00 H new ATOM 29 N VAL A 3 1.555 5.622 0.273 1.00 0.00 N ATOM 30 CA VAL A 3 1.684 6.392 -1.002 1.00 0.00 C ATOM 31 C VAL A 3 2.113 7.825 -0.705 1.00 0.00 C ATOM 32 O VAL A 3 3.074 8.315 -1.252 1.00 0.00 O ATOM 33 CB VAL A 3 0.352 6.422 -1.756 1.00 0.00 C ATOM 34 CG1 VAL A 3 0.048 5.033 -2.305 1.00 0.00 C ATOM 35 CG2 VAL A 3 -0.777 6.869 -0.818 1.00 0.00 C ATOM 0 H VAL A 3 0.744 5.006 0.329 1.00 0.00 H new ATOM 0 HA VAL A 3 2.435 5.898 -1.619 1.00 0.00 H new ATOM 0 HB VAL A 3 0.424 7.131 -2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.900 5.054 -2.842 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.844 4.728 -2.985 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.017 4.322 -1.481 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.719 6.887 -1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.855 6.172 0.016 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.560 7.867 -0.437 1.00 0.00 H new ATOM 45 N GLU A 4 1.410 8.511 0.148 1.00 0.00 N ATOM 46 CA GLU A 4 1.799 9.914 0.451 1.00 0.00 C ATOM 47 C GLU A 4 3.126 9.919 1.212 1.00 0.00 C ATOM 48 O GLU A 4 3.833 10.907 1.240 1.00 0.00 O ATOM 49 CB GLU A 4 0.715 10.577 1.301 1.00 0.00 C ATOM 50 CG GLU A 4 -0.286 11.287 0.388 1.00 0.00 C ATOM 51 CD GLU A 4 -0.285 12.785 0.697 1.00 0.00 C ATOM 52 OE1 GLU A 4 0.586 13.473 0.190 1.00 0.00 O ATOM 53 OE2 GLU A 4 -1.154 13.218 1.435 1.00 0.00 O ATOM 0 H GLU A 4 0.589 8.165 0.645 1.00 0.00 H new ATOM 0 HA GLU A 4 1.912 10.469 -0.480 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.204 9.828 1.906 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.165 11.291 1.991 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.023 11.120 -0.657 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.284 10.875 0.535 1.00 0.00 H new ATOM 60 N GLN A 5 3.475 8.822 1.825 1.00 0.00 N ATOM 61 CA GLN A 5 4.759 8.766 2.577 1.00 0.00 C ATOM 62 C GLN A 5 5.920 8.658 1.586 1.00 0.00 C ATOM 63 O GLN A 5 6.981 9.212 1.792 1.00 0.00 O ATOM 64 CB GLN A 5 4.758 7.546 3.498 1.00 0.00 C ATOM 65 CG GLN A 5 5.552 7.862 4.767 1.00 0.00 C ATOM 66 CD GLN A 5 5.602 6.623 5.662 1.00 0.00 C ATOM 67 OE1 GLN A 5 6.649 6.033 5.846 1.00 0.00 O ATOM 68 NE2 GLN A 5 4.507 6.201 6.233 1.00 0.00 N ATOM 0 H GLN A 5 2.926 7.962 1.838 1.00 0.00 H new ATOM 0 HA GLN A 5 4.872 9.670 3.175 1.00 0.00 H new ATOM 0 HB2 GLN A 5 3.735 7.273 3.755 1.00 0.00 H new ATOM 0 HB3 GLN A 5 5.197 6.690 2.985 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.563 8.176 4.507 1.00 0.00 H new ATOM 0 HG3 GLN A 5 5.088 8.691 5.302 1.00 0.00 H new ATOM 0 HE21 GLN A 5 3.628 6.696 6.079 1.00 0.00 H new ATOM 0 HE22 GLN A 5 4.530 5.377 6.833 1.00 0.00 H new ATOM 77 N CYS A 6 5.725 7.947 0.509 1.00 0.00 N ATOM 78 CA CYS A 6 6.814 7.803 -0.498 1.00 0.00 C ATOM 79 C CYS A 6 6.504 8.683 -1.710 1.00 0.00 C ATOM 80 O CYS A 6 7.390 9.125 -2.413 1.00 0.00 O ATOM 81 CB CYS A 6 6.914 6.341 -0.936 1.00 0.00 C ATOM 82 SG CYS A 6 8.243 5.524 -0.013 1.00 0.00 S ATOM 0 H CYS A 6 4.858 7.459 0.283 1.00 0.00 H new ATOM 0 HA CYS A 6 7.762 8.113 -0.058 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.967 5.831 -0.759 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.111 6.283 -2.006 1.00 0.00 H new ATOM 87 N CYS A 7 5.251 8.939 -1.957 1.00 0.00 N ATOM 88 CA CYS A 7 4.875 9.791 -3.121 1.00 0.00 C ATOM 89 C CYS A 7 4.871 11.265 -2.704 1.00 0.00 C ATOM 90 O CYS A 7 4.263 12.102 -3.341 1.00 0.00 O ATOM 91 CB CYS A 7 3.483 9.387 -3.618 1.00 0.00 C ATOM 92 SG CYS A 7 3.413 9.528 -5.423 1.00 0.00 S ATOM 0 H CYS A 7 4.468 8.594 -1.402 1.00 0.00 H new ATOM 0 HA CYS A 7 5.600 9.651 -3.923 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.261 8.364 -3.315 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.725 10.025 -3.164 1.00 0.00 H new ATOM 97 N THR A 8 5.560 11.584 -1.644 1.00 0.00 N ATOM 98 CA THR A 8 5.622 12.998 -1.179 1.00 0.00 C ATOM 99 C THR A 8 6.877 13.168 -0.329 1.00 0.00 C ATOM 100 O THR A 8 7.595 14.144 -0.436 1.00 0.00 O ATOM 101 CB THR A 8 4.382 13.327 -0.343 1.00 0.00 C ATOM 102 OG1 THR A 8 3.218 12.919 -1.047 1.00 0.00 O ATOM 103 CG2 THR A 8 4.326 14.833 -0.088 1.00 0.00 C ATOM 0 H THR A 8 6.087 10.921 -1.076 1.00 0.00 H new ATOM 0 HA THR A 8 5.653 13.672 -2.035 1.00 0.00 H new ATOM 0 HB THR A 8 4.433 12.801 0.610 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.399 12.925 -2.010 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.444 15.069 0.507 1.00 0.00 H new ATOM 0 HG22 THR A 8 5.221 15.144 0.451 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.273 15.361 -1.040 1.00 0.00 H new ATOM 111 N SER A 9 7.147 12.208 0.502 1.00 0.00 N ATOM 112 CA SER A 9 8.359 12.267 1.362 1.00 0.00 C ATOM 113 C SER A 9 9.230 11.047 1.053 1.00 0.00 C ATOM 114 O SER A 9 9.179 10.501 -0.032 1.00 0.00 O ATOM 115 CB SER A 9 7.948 12.244 2.834 1.00 0.00 C ATOM 116 OG SER A 9 8.557 13.336 3.510 1.00 0.00 O ATOM 0 H SER A 9 6.574 11.373 0.625 1.00 0.00 H new ATOM 0 HA SER A 9 8.913 13.185 1.165 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.863 12.307 2.921 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.251 11.303 3.293 1.00 0.00 H new ATOM 0 HG SER A 9 8.294 13.324 4.454 1.00 0.00 H new ATOM 122 N ILE A 10 10.023 10.607 1.989 1.00 0.00 N ATOM 123 CA ILE A 10 10.880 9.417 1.727 1.00 0.00 C ATOM 124 C ILE A 10 10.585 8.338 2.770 1.00 0.00 C ATOM 125 O ILE A 10 10.348 8.626 3.927 1.00 0.00 O ATOM 126 CB ILE A 10 12.361 9.808 1.805 1.00 0.00 C ATOM 127 CG1 ILE A 10 12.753 10.631 0.573 1.00 0.00 C ATOM 128 CG2 ILE A 10 13.218 8.546 1.858 1.00 0.00 C ATOM 129 CD1 ILE A 10 12.056 11.990 0.624 1.00 0.00 C ATOM 0 H ILE A 10 10.115 11.016 2.919 1.00 0.00 H new ATOM 0 HA ILE A 10 10.663 9.035 0.730 1.00 0.00 H new ATOM 0 HB ILE A 10 12.523 10.404 2.703 1.00 0.00 H new ATOM 0 HG12 ILE A 10 13.834 10.766 0.542 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.472 10.100 -0.337 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.271 8.823 1.913 1.00 0.00 H new ATOM 0 HG22 ILE A 10 12.950 7.961 2.738 1.00 0.00 H new ATOM 0 HG23 ILE A 10 13.046 7.952 0.961 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.335 12.575 -0.252 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.976 11.845 0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.359 12.521 1.526 1.00 0.00 H new ATOM 141 N CYS A 11 10.606 7.096 2.370 1.00 0.00 N ATOM 142 CA CYS A 11 10.335 5.996 3.337 1.00 0.00 C ATOM 143 C CYS A 11 11.583 5.116 3.448 1.00 0.00 C ATOM 144 O CYS A 11 12.196 4.768 2.457 1.00 0.00 O ATOM 145 CB CYS A 11 9.151 5.145 2.854 1.00 0.00 C ATOM 146 SG CYS A 11 8.003 6.165 1.888 1.00 0.00 S ATOM 0 H CYS A 11 10.799 6.796 1.415 1.00 0.00 H new ATOM 0 HA CYS A 11 10.088 6.422 4.310 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.513 4.316 2.246 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.633 4.711 3.709 1.00 0.00 H new ATOM 151 N SER A 12 11.971 4.759 4.641 1.00 0.00 N ATOM 152 CA SER A 12 13.186 3.910 4.804 1.00 0.00 C ATOM 153 C SER A 12 12.833 2.449 4.519 1.00 0.00 C ATOM 154 O SER A 12 11.738 2.001 4.792 1.00 0.00 O ATOM 155 CB SER A 12 13.708 4.039 6.236 1.00 0.00 C ATOM 156 OG SER A 12 12.681 3.669 7.146 1.00 0.00 O ATOM 0 H SER A 12 11.501 5.017 5.509 1.00 0.00 H new ATOM 0 HA SER A 12 13.955 4.239 4.105 1.00 0.00 H new ATOM 0 HB2 SER A 12 14.581 3.401 6.376 1.00 0.00 H new ATOM 0 HB3 SER A 12 14.028 5.063 6.428 1.00 0.00 H new ATOM 0 HG SER A 12 13.013 3.749 8.064 1.00 0.00 H new ATOM 162 N LEU A 13 13.757 1.702 3.974 1.00 0.00 N ATOM 163 CA LEU A 13 13.474 0.270 3.677 1.00 0.00 C ATOM 164 C LEU A 13 12.755 -0.355 4.871 1.00 0.00 C ATOM 165 O LEU A 13 11.760 -1.033 4.719 1.00 0.00 O ATOM 166 CB LEU A 13 14.787 -0.473 3.423 1.00 0.00 C ATOM 167 CG LEU A 13 15.318 -0.114 2.034 1.00 0.00 C ATOM 168 CD1 LEU A 13 16.221 1.114 2.134 1.00 0.00 C ATOM 169 CD2 LEU A 13 16.120 -1.292 1.475 1.00 0.00 C ATOM 0 H LEU A 13 14.692 2.022 3.723 1.00 0.00 H new ATOM 0 HA LEU A 13 12.845 0.198 2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 13 15.521 -0.207 4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.628 -1.549 3.496 1.00 0.00 H new ATOM 0 HG LEU A 13 14.481 0.104 1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 13 16.599 1.369 1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 13 15.651 1.953 2.532 1.00 0.00 H new ATOM 0 HD13 LEU A 13 17.058 0.897 2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 13 16.499 -1.037 0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 13 16.957 -1.510 2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 13 15.476 -2.169 1.403 1.00 0.00 H new ATOM 181 N TYR A 14 13.240 -0.125 6.061 1.00 0.00 N ATOM 182 CA TYR A 14 12.561 -0.703 7.253 1.00 0.00 C ATOM 183 C TYR A 14 11.077 -0.350 7.180 1.00 0.00 C ATOM 184 O TYR A 14 10.219 -1.208 7.232 1.00 0.00 O ATOM 185 CB TYR A 14 13.169 -0.114 8.529 1.00 0.00 C ATOM 186 CG TYR A 14 12.484 -0.713 9.734 1.00 0.00 C ATOM 187 CD1 TYR A 14 12.324 -2.102 9.831 1.00 0.00 C ATOM 188 CD2 TYR A 14 12.009 0.119 10.755 1.00 0.00 C ATOM 189 CE1 TYR A 14 11.688 -2.658 10.950 1.00 0.00 C ATOM 190 CE2 TYR A 14 11.373 -0.436 11.875 1.00 0.00 C ATOM 191 CZ TYR A 14 11.212 -1.825 11.971 1.00 0.00 C ATOM 192 OH TYR A 14 10.587 -2.372 13.073 1.00 0.00 O ATOM 0 H TYR A 14 14.070 0.434 6.258 1.00 0.00 H new ATOM 0 HA TYR A 14 12.689 -1.785 7.269 1.00 0.00 H new ATOM 0 HB2 TYR A 14 14.239 -0.321 8.565 1.00 0.00 H new ATOM 0 HB3 TYR A 14 13.054 0.970 8.533 1.00 0.00 H new ATOM 0 HD1 TYR A 14 12.691 -2.744 9.044 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.132 1.189 10.680 1.00 0.00 H new ATOM 0 HE1 TYR A 14 11.565 -3.728 11.025 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.008 0.206 12.663 1.00 0.00 H new ATOM 0 HH TYR A 14 10.319 -1.656 13.686 1.00 0.00 H new ATOM 202 N GLN A 15 10.771 0.911 7.037 1.00 0.00 N ATOM 203 CA GLN A 15 9.343 1.323 6.937 1.00 0.00 C ATOM 204 C GLN A 15 8.738 0.683 5.688 1.00 0.00 C ATOM 205 O GLN A 15 7.600 0.258 5.680 1.00 0.00 O ATOM 206 CB GLN A 15 9.253 2.847 6.818 1.00 0.00 C ATOM 207 CG GLN A 15 9.301 3.475 8.212 1.00 0.00 C ATOM 208 CD GLN A 15 7.901 3.469 8.826 1.00 0.00 C ATOM 209 OE1 GLN A 15 7.061 4.269 8.462 1.00 0.00 O ATOM 210 NE2 GLN A 15 7.610 2.594 9.749 1.00 0.00 N ATOM 0 H GLN A 15 11.448 1.672 6.985 1.00 0.00 H new ATOM 0 HA GLN A 15 8.802 1.001 7.826 1.00 0.00 H new ATOM 0 HB2 GLN A 15 10.076 3.223 6.210 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.329 3.128 6.313 1.00 0.00 H new ATOM 0 HG2 GLN A 15 9.990 2.920 8.848 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.677 4.496 8.149 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.314 1.922 10.055 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.679 2.582 10.164 1.00 0.00 H new ATOM 219 N LEU A 16 9.501 0.610 4.632 1.00 0.00 N ATOM 220 CA LEU A 16 8.992 -0.002 3.374 1.00 0.00 C ATOM 221 C LEU A 16 8.827 -1.506 3.580 1.00 0.00 C ATOM 222 O LEU A 16 8.005 -2.146 2.952 1.00 0.00 O ATOM 223 CB LEU A 16 9.998 0.260 2.249 1.00 0.00 C ATOM 224 CG LEU A 16 9.305 0.990 1.098 1.00 0.00 C ATOM 225 CD1 LEU A 16 10.265 2.020 0.496 1.00 0.00 C ATOM 226 CD2 LEU A 16 8.905 -0.021 0.022 1.00 0.00 C ATOM 0 H LEU A 16 10.461 0.951 4.587 1.00 0.00 H new ATOM 0 HA LEU A 16 8.029 0.434 3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.829 0.857 2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.416 -0.682 1.895 1.00 0.00 H new ATOM 0 HG LEU A 16 8.415 1.496 1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.772 2.541 -0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.553 2.740 1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 16 11.154 1.513 0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.411 0.498 -0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.796 -0.526 -0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.223 -0.756 0.449 1.00 0.00 H new ATOM 238 N GLU A 17 9.601 -2.074 4.459 1.00 0.00 N ATOM 239 CA GLU A 17 9.495 -3.536 4.714 1.00 0.00 C ATOM 240 C GLU A 17 8.305 -3.802 5.630 1.00 0.00 C ATOM 241 O GLU A 17 7.804 -4.907 5.711 1.00 0.00 O ATOM 242 CB GLU A 17 10.778 -4.040 5.378 1.00 0.00 C ATOM 243 CG GLU A 17 11.922 -4.027 4.361 1.00 0.00 C ATOM 244 CD GLU A 17 13.123 -4.782 4.934 1.00 0.00 C ATOM 245 OE1 GLU A 17 13.779 -4.237 5.806 1.00 0.00 O ATOM 246 OE2 GLU A 17 13.366 -5.892 4.490 1.00 0.00 O ATOM 0 H GLU A 17 10.305 -1.587 5.014 1.00 0.00 H new ATOM 0 HA GLU A 17 9.353 -4.060 3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.029 -3.410 6.231 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.629 -5.050 5.760 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.599 -4.490 3.429 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.203 -3.000 4.127 1.00 0.00 H new ATOM 253 N ASN A 18 7.831 -2.793 6.304 1.00 0.00 N ATOM 254 CA ASN A 18 6.657 -2.981 7.193 1.00 0.00 C ATOM 255 C ASN A 18 5.399 -3.093 6.327 1.00 0.00 C ATOM 256 O ASN A 18 4.300 -3.242 6.823 1.00 0.00 O ATOM 257 CB ASN A 18 6.526 -1.771 8.121 1.00 0.00 C ATOM 258 CG ASN A 18 7.110 -2.105 9.494 1.00 0.00 C ATOM 259 OD1 ASN A 18 6.499 -1.835 10.509 1.00 0.00 O ATOM 260 ND2 ASN A 18 8.277 -2.686 9.571 1.00 0.00 N ATOM 0 H ASN A 18 8.208 -1.846 6.276 1.00 0.00 H new ATOM 0 HA ASN A 18 6.781 -3.884 7.790 1.00 0.00 H new ATOM 0 HB2 ASN A 18 7.047 -0.915 7.693 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.478 -1.489 8.220 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.675 -2.913 10.483 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.791 -2.913 8.720 1.00 0.00 H new ATOM 267 N TYR A 19 5.556 -3.006 5.032 1.00 0.00 N ATOM 268 CA TYR A 19 4.387 -3.089 4.125 1.00 0.00 C ATOM 269 C TYR A 19 4.371 -4.448 3.421 1.00 0.00 C ATOM 270 O TYR A 19 3.485 -4.746 2.642 1.00 0.00 O ATOM 271 CB TYR A 19 4.506 -1.970 3.096 1.00 0.00 C ATOM 272 CG TYR A 19 4.365 -0.638 3.802 1.00 0.00 C ATOM 273 CD1 TYR A 19 3.092 -0.141 4.128 1.00 0.00 C ATOM 274 CD2 TYR A 19 5.508 0.098 4.145 1.00 0.00 C ATOM 275 CE1 TYR A 19 2.969 1.088 4.789 1.00 0.00 C ATOM 276 CE2 TYR A 19 5.383 1.326 4.806 1.00 0.00 C ATOM 277 CZ TYR A 19 4.114 1.821 5.129 1.00 0.00 C ATOM 278 OH TYR A 19 3.991 3.030 5.782 1.00 0.00 O ATOM 0 H TYR A 19 6.454 -2.880 4.566 1.00 0.00 H new ATOM 0 HA TYR A 19 3.461 -2.983 4.690 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.468 -2.027 2.587 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.735 -2.076 2.333 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.209 -0.706 3.869 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.488 -0.283 3.899 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.990 1.471 5.037 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.266 1.891 5.067 1.00 0.00 H new ATOM 0 HH TYR A 19 4.881 3.406 5.944 1.00 0.00 H new ATOM 288 N CYS A 20 5.344 -5.276 3.687 1.00 0.00 N ATOM 289 CA CYS A 20 5.383 -6.613 3.033 1.00 0.00 C ATOM 290 C CYS A 20 4.569 -7.607 3.864 1.00 0.00 C ATOM 291 O CYS A 20 4.633 -7.613 5.078 1.00 0.00 O ATOM 292 CB CYS A 20 6.830 -7.096 2.941 1.00 0.00 C ATOM 293 SG CYS A 20 7.916 -5.702 2.557 1.00 0.00 S ATOM 0 H CYS A 20 6.113 -5.084 4.329 1.00 0.00 H new ATOM 0 HA CYS A 20 4.961 -6.539 2.031 1.00 0.00 H new ATOM 0 HB2 CYS A 20 7.131 -7.555 3.883 1.00 0.00 H new ATOM 0 HB3 CYS A 20 6.919 -7.862 2.171 1.00 0.00 H new ATOM 298 N ASN A 21 3.806 -8.450 3.223 1.00 0.00 N ATOM 299 CA ASN A 21 2.992 -9.444 3.979 1.00 0.00 C ATOM 300 C ASN A 21 3.445 -10.858 3.611 1.00 0.00 C ATOM 301 O ASN A 21 4.325 -11.371 4.282 1.00 0.00 O ATOM 302 CB ASN A 21 1.514 -9.271 3.620 1.00 0.00 C ATOM 303 CG ASN A 21 0.644 -9.742 4.787 1.00 0.00 C ATOM 304 OD1 ASN A 21 1.104 -9.825 5.909 1.00 0.00 O ATOM 305 ND2 ASN A 21 -0.604 -10.056 4.568 1.00 0.00 N ATOM 306 OXT ASN A 21 2.904 -11.404 2.663 1.00 0.00 O ATOM 0 H ASN A 21 3.711 -8.493 2.208 1.00 0.00 H new ATOM 0 HA ASN A 21 3.126 -9.287 5.049 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.304 -8.225 3.395 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.278 -9.843 2.723 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.193 -10.371 5.339 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.990 -9.986 3.626 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 20.094 0.902 -1.538 1.00 0.00 N ATOM 315 CA PHE B 1 19.003 1.912 -1.614 1.00 0.00 C ATOM 316 C PHE B 1 19.170 2.929 -0.484 1.00 0.00 C ATOM 317 O PHE B 1 19.726 2.633 0.554 1.00 0.00 O ATOM 318 CB PHE B 1 17.649 1.215 -1.471 1.00 0.00 C ATOM 319 CG PHE B 1 17.037 1.015 -2.836 1.00 0.00 C ATOM 320 CD1 PHE B 1 17.483 -0.028 -3.658 1.00 0.00 C ATOM 321 CD2 PHE B 1 16.021 1.872 -3.280 1.00 0.00 C ATOM 322 CE1 PHE B 1 16.914 -0.215 -4.924 1.00 0.00 C ATOM 323 CE2 PHE B 1 15.451 1.686 -4.547 1.00 0.00 C ATOM 324 CZ PHE B 1 15.899 0.643 -5.369 1.00 0.00 C ATOM 0 H1 PHE B 1 19.697 -0.049 -1.680 1.00 0.00 H new ATOM 0 H2 PHE B 1 20.800 1.097 -2.277 1.00 0.00 H new ATOM 0 H3 PHE B 1 20.548 0.951 -0.604 1.00 0.00 H new ATOM 0 HA PHE B 1 19.050 2.423 -2.576 1.00 0.00 H new ATOM 0 HB2 PHE B 1 17.774 0.254 -0.973 1.00 0.00 H new ATOM 0 HB3 PHE B 1 16.985 1.813 -0.847 1.00 0.00 H new ATOM 0 HD1 PHE B 1 18.266 -0.688 -3.315 1.00 0.00 H new ATOM 0 HD2 PHE B 1 15.677 2.676 -2.646 1.00 0.00 H new ATOM 0 HE1 PHE B 1 17.257 -1.020 -5.557 1.00 0.00 H new ATOM 0 HE2 PHE B 1 14.667 2.346 -4.889 1.00 0.00 H new ATOM 0 HZ PHE B 1 15.462 0.500 -6.346 1.00 0.00 H new ATOM 336 N VAL B 2 18.690 4.126 -0.677 1.00 0.00 N ATOM 337 CA VAL B 2 18.817 5.159 0.388 1.00 0.00 C ATOM 338 C VAL B 2 17.550 6.016 0.412 1.00 0.00 C ATOM 339 O VAL B 2 16.593 5.741 -0.285 1.00 0.00 O ATOM 340 CB VAL B 2 20.032 6.043 0.098 1.00 0.00 C ATOM 341 CG1 VAL B 2 21.312 5.265 0.407 1.00 0.00 C ATOM 342 CG2 VAL B 2 20.028 6.448 -1.378 1.00 0.00 C ATOM 0 H VAL B 2 18.215 4.433 -1.526 1.00 0.00 H new ATOM 0 HA VAL B 2 18.947 4.675 1.356 1.00 0.00 H new ATOM 0 HB VAL B 2 19.988 6.936 0.721 1.00 0.00 H new ATOM 0 HG11 VAL B 2 22.178 5.893 0.201 1.00 0.00 H new ATOM 0 HG12 VAL B 2 21.316 4.974 1.457 1.00 0.00 H new ATOM 0 HG13 VAL B 2 21.355 4.372 -0.217 1.00 0.00 H new ATOM 0 HG21 VAL B 2 20.893 7.078 -1.585 1.00 0.00 H new ATOM 0 HG22 VAL B 2 20.072 5.554 -2.001 1.00 0.00 H new ATOM 0 HG23 VAL B 2 19.115 7.001 -1.601 1.00 0.00 H new ATOM 352 N ASN B 3 17.533 7.050 1.208 1.00 0.00 N ATOM 353 CA ASN B 3 16.324 7.918 1.271 1.00 0.00 C ATOM 354 C ASN B 3 15.812 8.179 -0.146 1.00 0.00 C ATOM 355 O ASN B 3 16.477 8.800 -0.952 1.00 0.00 O ATOM 356 CB ASN B 3 16.681 9.247 1.941 1.00 0.00 C ATOM 357 CG ASN B 3 16.782 9.045 3.455 1.00 0.00 C ATOM 358 OD1 ASN B 3 15.792 8.802 4.114 1.00 0.00 O ATOM 359 ND2 ASN B 3 17.948 9.135 4.036 1.00 0.00 N ATOM 0 H ASN B 3 18.302 7.331 1.816 1.00 0.00 H new ATOM 0 HA ASN B 3 15.548 7.419 1.852 1.00 0.00 H new ATOM 0 HB2 ASN B 3 17.627 9.621 1.550 1.00 0.00 H new ATOM 0 HB3 ASN B 3 15.923 9.996 1.713 1.00 0.00 H new ATOM 0 HD21 ASN B 3 18.027 9.001 5.044 1.00 0.00 H new ATOM 0 HD22 ASN B 3 18.780 9.339 3.482 1.00 0.00 H new ATOM 366 N GLN B 4 14.643 7.691 -0.464 1.00 0.00 N ATOM 367 CA GLN B 4 14.104 7.894 -1.834 1.00 0.00 C ATOM 368 C GLN B 4 12.574 7.968 -1.797 1.00 0.00 C ATOM 369 O GLN B 4 11.940 7.551 -0.845 1.00 0.00 O ATOM 370 CB GLN B 4 14.545 6.711 -2.695 1.00 0.00 C ATOM 371 CG GLN B 4 13.709 6.643 -3.975 1.00 0.00 C ATOM 372 CD GLN B 4 14.367 5.679 -4.965 1.00 0.00 C ATOM 373 OE1 GLN B 4 13.877 4.589 -5.187 1.00 0.00 O ATOM 374 NE2 GLN B 4 15.463 6.037 -5.574 1.00 0.00 N ATOM 0 H GLN B 4 14.041 7.162 0.167 1.00 0.00 H new ATOM 0 HA GLN B 4 14.481 8.829 -2.249 1.00 0.00 H new ATOM 0 HB2 GLN B 4 15.601 6.810 -2.947 1.00 0.00 H new ATOM 0 HB3 GLN B 4 14.437 5.783 -2.133 1.00 0.00 H new ATOM 0 HG2 GLN B 4 12.697 6.309 -3.744 1.00 0.00 H new ATOM 0 HG3 GLN B 4 13.624 7.635 -4.419 1.00 0.00 H new ATOM 0 HE21 GLN B 4 15.874 6.952 -5.388 1.00 0.00 H new ATOM 0 HE22 GLN B 4 15.909 5.402 -6.236 1.00 0.00 H new ATOM 383 N HIS B 5 11.978 8.491 -2.838 1.00 0.00 N ATOM 384 CA HIS B 5 10.497 8.591 -2.889 1.00 0.00 C ATOM 385 C HIS B 5 9.949 7.444 -3.740 1.00 0.00 C ATOM 386 O HIS B 5 10.642 6.886 -4.567 1.00 0.00 O ATOM 387 CB HIS B 5 10.094 9.924 -3.526 1.00 0.00 C ATOM 388 CG HIS B 5 10.870 11.051 -2.899 1.00 0.00 C ATOM 389 ND1 HIS B 5 12.204 11.187 -2.621 1.00 0.00 N flip ATOM 390 CD2 HIS B 5 10.248 12.216 -2.502 1.00 0.00 C flip ATOM 391 CE1 HIS B 5 12.415 12.427 -2.055 1.00 0.00 C flip ATOM 392 NE2 HIS B 5 11.202 13.014 -2.004 1.00 0.00 N flip ATOM 0 H HIS B 5 12.462 8.855 -3.659 1.00 0.00 H new ATOM 0 HA HIS B 5 10.092 8.534 -1.879 1.00 0.00 H new ATOM 0 HB2 HIS B 5 10.282 9.895 -4.599 1.00 0.00 H new ATOM 0 HB3 HIS B 5 9.025 10.091 -3.394 1.00 0.00 H new ATOM 0 HD2 HIS B 5 9.195 12.442 -2.578 1.00 0.00 H new ATOM 0 HE1 HIS B 5 13.355 12.841 -1.722 1.00 0.00 H new ATOM 0 HE2 HIS B 5 11.032 13.949 -1.633 1.00 0.00 H new ATOM 400 N LEU B 6 8.709 7.096 -3.548 1.00 0.00 N ATOM 401 CA LEU B 6 8.105 5.989 -4.345 1.00 0.00 C ATOM 402 C LEU B 6 6.627 6.304 -4.605 1.00 0.00 C ATOM 403 O LEU B 6 6.046 7.154 -3.961 1.00 0.00 O ATOM 404 CB LEU B 6 8.231 4.677 -3.567 1.00 0.00 C ATOM 405 CG LEU B 6 9.630 4.585 -2.958 1.00 0.00 C ATOM 406 CD1 LEU B 6 9.689 3.412 -1.979 1.00 0.00 C ATOM 407 CD2 LEU B 6 10.657 4.367 -4.070 1.00 0.00 C ATOM 0 H LEU B 6 8.083 7.531 -2.871 1.00 0.00 H new ATOM 0 HA LEU B 6 8.625 5.890 -5.298 1.00 0.00 H new ATOM 0 HB2 LEU B 6 7.476 4.632 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU B 6 8.053 3.829 -4.229 1.00 0.00 H new ATOM 0 HG LEU B 6 9.854 5.511 -2.429 1.00 0.00 H new ATOM 0 HD11 LEU B 6 10.688 3.349 -1.546 1.00 0.00 H new ATOM 0 HD12 LEU B 6 8.958 3.564 -1.185 1.00 0.00 H new ATOM 0 HD13 LEU B 6 9.463 2.486 -2.507 1.00 0.00 H new ATOM 0 HD21 LEU B 6 11.655 4.301 -3.636 1.00 0.00 H new ATOM 0 HD22 LEU B 6 10.430 3.441 -4.599 1.00 0.00 H new ATOM 0 HD23 LEU B 6 10.620 5.203 -4.769 1.00 0.00 H new ATOM 419 N CYS B 7 6.015 5.630 -5.545 1.00 0.00 N ATOM 420 CA CYS B 7 4.577 5.904 -5.842 1.00 0.00 C ATOM 421 C CYS B 7 3.933 4.664 -6.468 1.00 0.00 C ATOM 422 O CYS B 7 4.323 4.221 -7.530 1.00 0.00 O ATOM 423 CB CYS B 7 4.466 7.065 -6.835 1.00 0.00 C ATOM 424 SG CYS B 7 5.080 8.586 -6.074 1.00 0.00 S ATOM 0 H CYS B 7 6.447 4.905 -6.118 1.00 0.00 H new ATOM 0 HA CYS B 7 4.068 6.159 -4.912 1.00 0.00 H new ATOM 0 HB2 CYS B 7 5.039 6.841 -7.735 1.00 0.00 H new ATOM 0 HB3 CYS B 7 3.428 7.195 -7.142 1.00 0.00 H new ATOM 429 N GLY B 8 2.941 4.112 -5.825 1.00 0.00 N ATOM 430 CA GLY B 8 2.256 2.910 -6.386 1.00 0.00 C ATOM 431 C GLY B 8 3.277 1.946 -6.995 1.00 0.00 C ATOM 432 O GLY B 8 4.034 1.306 -6.293 1.00 0.00 O ATOM 0 H GLY B 8 2.573 4.442 -4.933 1.00 0.00 H new ATOM 0 HA2 GLY B 8 1.694 2.405 -5.601 1.00 0.00 H new ATOM 0 HA3 GLY B 8 1.537 3.216 -7.146 1.00 0.00 H new ATOM 436 N SER B 9 3.289 1.831 -8.297 1.00 0.00 N ATOM 437 CA SER B 9 4.247 0.900 -8.965 1.00 0.00 C ATOM 438 C SER B 9 5.607 0.967 -8.273 1.00 0.00 C ATOM 439 O SER B 9 6.011 0.037 -7.608 1.00 0.00 O ATOM 440 CB SER B 9 4.402 1.295 -10.434 1.00 0.00 C ATOM 441 OG SER B 9 5.585 0.707 -10.955 1.00 0.00 O ATOM 0 H SER B 9 2.674 2.344 -8.929 1.00 0.00 H new ATOM 0 HA SER B 9 3.862 -0.118 -8.899 1.00 0.00 H new ATOM 0 HB2 SER B 9 3.535 0.963 -11.005 1.00 0.00 H new ATOM 0 HB3 SER B 9 4.449 2.380 -10.528 1.00 0.00 H new ATOM 0 HG SER B 9 5.687 0.957 -11.897 1.00 0.00 H new ATOM 447 N ASP B 10 6.318 2.054 -8.414 1.00 0.00 N ATOM 448 CA ASP B 10 7.648 2.156 -7.744 1.00 0.00 C ATOM 449 C ASP B 10 7.500 1.660 -6.309 1.00 0.00 C ATOM 450 O ASP B 10 8.359 0.983 -5.780 1.00 0.00 O ATOM 451 CB ASP B 10 8.118 3.612 -7.745 1.00 0.00 C ATOM 452 CG ASP B 10 8.866 3.905 -9.048 1.00 0.00 C ATOM 453 OD1 ASP B 10 8.217 3.963 -10.080 1.00 0.00 O ATOM 454 OD2 ASP B 10 10.073 4.066 -8.992 1.00 0.00 O ATOM 0 H ASP B 10 6.039 2.870 -8.959 1.00 0.00 H new ATOM 0 HA ASP B 10 8.384 1.552 -8.275 1.00 0.00 H new ATOM 0 HB2 ASP B 10 7.264 4.281 -7.645 1.00 0.00 H new ATOM 0 HB3 ASP B 10 8.769 3.796 -6.890 1.00 0.00 H new ATOM 459 N LEU B 11 6.398 1.971 -5.682 1.00 0.00 N ATOM 460 CA LEU B 11 6.174 1.495 -4.292 1.00 0.00 C ATOM 461 C LEU B 11 6.031 -0.026 -4.328 1.00 0.00 C ATOM 462 O LEU B 11 6.722 -0.743 -3.631 1.00 0.00 O ATOM 463 CB LEU B 11 4.899 2.126 -3.735 1.00 0.00 C ATOM 464 CG LEU B 11 5.261 3.302 -2.829 1.00 0.00 C ATOM 465 CD1 LEU B 11 3.979 3.966 -2.321 1.00 0.00 C ATOM 466 CD2 LEU B 11 6.078 2.795 -1.638 1.00 0.00 C ATOM 0 H LEU B 11 5.644 2.535 -6.075 1.00 0.00 H new ATOM 0 HA LEU B 11 7.011 1.777 -3.653 1.00 0.00 H new ATOM 0 HB2 LEU B 11 4.263 2.466 -4.552 1.00 0.00 H new ATOM 0 HB3 LEU B 11 4.329 1.385 -3.175 1.00 0.00 H new ATOM 0 HG LEU B 11 5.849 4.027 -3.391 1.00 0.00 H new ATOM 0 HD11 LEU B 11 4.235 4.805 -1.674 1.00 0.00 H new ATOM 0 HD12 LEU B 11 3.395 4.326 -3.168 1.00 0.00 H new ATOM 0 HD13 LEU B 11 3.392 3.240 -1.758 1.00 0.00 H new ATOM 0 HD21 LEU B 11 6.337 3.633 -0.991 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.490 2.070 -1.075 1.00 0.00 H new ATOM 0 HD23 LEU B 11 6.990 2.320 -1.999 1.00 0.00 H new ATOM 478 N VAL B 12 5.158 -0.526 -5.163 1.00 0.00 N ATOM 479 CA VAL B 12 4.998 -1.999 -5.274 1.00 0.00 C ATOM 480 C VAL B 12 6.296 -2.568 -5.846 1.00 0.00 C ATOM 481 O VAL B 12 6.549 -3.754 -5.796 1.00 0.00 O ATOM 482 CB VAL B 12 3.810 -2.323 -6.202 1.00 0.00 C ATOM 483 CG1 VAL B 12 2.778 -1.202 -6.130 1.00 0.00 C ATOM 484 CG2 VAL B 12 4.271 -2.481 -7.657 1.00 0.00 C ATOM 0 H VAL B 12 4.551 0.024 -5.771 1.00 0.00 H new ATOM 0 HA VAL B 12 4.796 -2.442 -4.299 1.00 0.00 H new ATOM 0 HB VAL B 12 3.370 -3.263 -5.868 1.00 0.00 H new ATOM 0 HG11 VAL B 12 1.941 -1.436 -6.787 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.419 -1.104 -5.106 1.00 0.00 H new ATOM 0 HG13 VAL B 12 3.236 -0.265 -6.445 1.00 0.00 H new ATOM 0 HG21 VAL B 12 3.412 -2.709 -8.288 1.00 0.00 H new ATOM 0 HG22 VAL B 12 4.734 -1.554 -7.995 1.00 0.00 H new ATOM 0 HG23 VAL B 12 4.995 -3.293 -7.723 1.00 0.00 H new ATOM 494 N GLU B 13 7.117 -1.709 -6.388 1.00 0.00 N ATOM 495 CA GLU B 13 8.405 -2.144 -6.973 1.00 0.00 C ATOM 496 C GLU B 13 9.438 -2.206 -5.852 1.00 0.00 C ATOM 497 O GLU B 13 9.998 -3.248 -5.572 1.00 0.00 O ATOM 498 CB GLU B 13 8.808 -1.124 -8.033 1.00 0.00 C ATOM 499 CG GLU B 13 8.545 -1.708 -9.419 1.00 0.00 C ATOM 500 CD GLU B 13 9.014 -0.721 -10.489 1.00 0.00 C ATOM 501 OE1 GLU B 13 10.179 -0.779 -10.850 1.00 0.00 O ATOM 502 OE2 GLU B 13 8.202 0.076 -10.929 1.00 0.00 O ATOM 0 H GLU B 13 6.940 -0.706 -6.448 1.00 0.00 H new ATOM 0 HA GLU B 13 8.329 -3.127 -7.437 1.00 0.00 H new ATOM 0 HB2 GLU B 13 8.242 -0.202 -7.901 1.00 0.00 H new ATOM 0 HB3 GLU B 13 9.862 -0.869 -7.927 1.00 0.00 H new ATOM 0 HG2 GLU B 13 9.069 -2.657 -9.530 1.00 0.00 H new ATOM 0 HG3 GLU B 13 7.482 -1.915 -9.542 1.00 0.00 H new ATOM 509 N ALA B 14 9.665 -1.114 -5.170 1.00 0.00 N ATOM 510 CA ALA B 14 10.624 -1.161 -4.036 1.00 0.00 C ATOM 511 C ALA B 14 10.123 -2.251 -3.100 1.00 0.00 C ATOM 512 O ALA B 14 10.836 -3.174 -2.762 1.00 0.00 O ATOM 513 CB ALA B 14 10.648 0.187 -3.312 1.00 0.00 C ATOM 0 H ALA B 14 9.234 -0.207 -5.348 1.00 0.00 H new ATOM 0 HA ALA B 14 11.637 -1.368 -4.380 1.00 0.00 H new ATOM 0 HB1 ALA B 14 11.354 0.142 -2.483 1.00 0.00 H new ATOM 0 HB2 ALA B 14 10.955 0.968 -4.008 1.00 0.00 H new ATOM 0 HB3 ALA B 14 9.653 0.412 -2.929 1.00 0.00 H new ATOM 519 N LEU B 15 8.870 -2.180 -2.728 1.00 0.00 N ATOM 520 CA LEU B 15 8.293 -3.237 -1.874 1.00 0.00 C ATOM 521 C LEU B 15 8.641 -4.566 -2.532 1.00 0.00 C ATOM 522 O LEU B 15 9.081 -5.505 -1.900 1.00 0.00 O ATOM 523 CB LEU B 15 6.776 -3.061 -1.838 1.00 0.00 C ATOM 524 CG LEU B 15 6.410 -1.917 -0.896 1.00 0.00 C ATOM 525 CD1 LEU B 15 5.002 -1.414 -1.225 1.00 0.00 C ATOM 526 CD2 LEU B 15 6.442 -2.419 0.546 1.00 0.00 C ATOM 0 H LEU B 15 8.228 -1.430 -2.984 1.00 0.00 H new ATOM 0 HA LEU B 15 8.679 -3.194 -0.855 1.00 0.00 H new ATOM 0 HB2 LEU B 15 6.401 -2.853 -2.840 1.00 0.00 H new ATOM 0 HB3 LEU B 15 6.301 -3.984 -1.505 1.00 0.00 H new ATOM 0 HG LEU B 15 7.125 -1.103 -1.018 1.00 0.00 H new ATOM 0 HD11 LEU B 15 4.741 -0.597 -0.552 1.00 0.00 H new ATOM 0 HD12 LEU B 15 4.974 -1.059 -2.255 1.00 0.00 H new ATOM 0 HD13 LEU B 15 4.287 -2.228 -1.102 1.00 0.00 H new ATOM 0 HD21 LEU B 15 6.181 -1.604 1.221 1.00 0.00 H new ATOM 0 HD22 LEU B 15 5.725 -3.232 0.664 1.00 0.00 H new ATOM 0 HD23 LEU B 15 7.443 -2.780 0.783 1.00 0.00 H new ATOM 538 N TYR B 16 8.472 -4.623 -3.822 1.00 0.00 N ATOM 539 CA TYR B 16 8.813 -5.851 -4.583 1.00 0.00 C ATOM 540 C TYR B 16 10.223 -6.292 -4.212 1.00 0.00 C ATOM 541 O TYR B 16 10.479 -7.440 -3.916 1.00 0.00 O ATOM 542 CB TYR B 16 8.804 -5.514 -6.070 1.00 0.00 C ATOM 543 CG TYR B 16 7.921 -6.476 -6.812 1.00 0.00 C ATOM 544 CD1 TYR B 16 7.890 -7.821 -6.438 1.00 0.00 C ATOM 545 CD2 TYR B 16 7.136 -6.021 -7.876 1.00 0.00 C ATOM 546 CE1 TYR B 16 7.068 -8.722 -7.129 1.00 0.00 C ATOM 547 CE2 TYR B 16 6.312 -6.918 -8.570 1.00 0.00 C ATOM 548 CZ TYR B 16 6.277 -8.269 -8.197 1.00 0.00 C ATOM 549 OH TYR B 16 5.467 -9.154 -8.879 1.00 0.00 O ATOM 0 H TYR B 16 8.106 -3.858 -4.388 1.00 0.00 H new ATOM 0 HA TYR B 16 8.096 -6.640 -4.355 1.00 0.00 H new ATOM 0 HB2 TYR B 16 8.449 -4.494 -6.218 1.00 0.00 H new ATOM 0 HB3 TYR B 16 9.818 -5.559 -6.467 1.00 0.00 H new ATOM 0 HD1 TYR B 16 8.499 -8.167 -5.616 1.00 0.00 H new ATOM 0 HD2 TYR B 16 7.164 -4.980 -8.163 1.00 0.00 H new ATOM 0 HE1 TYR B 16 7.043 -9.762 -6.841 1.00 0.00 H new ATOM 0 HE2 TYR B 16 5.704 -6.568 -9.392 1.00 0.00 H new ATOM 0 HH TYR B 16 4.986 -8.678 -9.588 1.00 0.00 H new ATOM 559 N LEU B 17 11.140 -5.374 -4.262 1.00 0.00 N ATOM 560 CA LEU B 17 12.554 -5.696 -3.952 1.00 0.00 C ATOM 561 C LEU B 17 12.749 -5.888 -2.443 1.00 0.00 C ATOM 562 O LEU B 17 13.289 -6.884 -2.003 1.00 0.00 O ATOM 563 CB LEU B 17 13.426 -4.543 -4.447 1.00 0.00 C ATOM 564 CG LEU B 17 14.753 -5.095 -4.948 1.00 0.00 C ATOM 565 CD1 LEU B 17 15.581 -3.965 -5.558 1.00 0.00 C ATOM 566 CD2 LEU B 17 15.504 -5.707 -3.771 1.00 0.00 C ATOM 0 H LEU B 17 10.967 -4.399 -4.508 1.00 0.00 H new ATOM 0 HA LEU B 17 12.835 -6.626 -4.447 1.00 0.00 H new ATOM 0 HB2 LEU B 17 12.918 -4.005 -5.247 1.00 0.00 H new ATOM 0 HB3 LEU B 17 13.597 -3.829 -3.641 1.00 0.00 H new ATOM 0 HG LEU B 17 14.577 -5.855 -5.709 1.00 0.00 H new ATOM 0 HD11 LEU B 17 16.531 -4.362 -5.916 1.00 0.00 H new ATOM 0 HD12 LEU B 17 15.035 -3.523 -6.392 1.00 0.00 H new ATOM 0 HD13 LEU B 17 15.769 -3.202 -4.802 1.00 0.00 H new ATOM 0 HD21 LEU B 17 16.458 -6.107 -4.116 1.00 0.00 H new ATOM 0 HD22 LEU B 17 15.683 -4.941 -3.016 1.00 0.00 H new ATOM 0 HD23 LEU B 17 14.909 -6.511 -3.338 1.00 0.00 H new ATOM 578 N VAL B 18 12.326 -4.945 -1.647 1.00 0.00 N ATOM 579 CA VAL B 18 12.508 -5.085 -0.166 1.00 0.00 C ATOM 580 C VAL B 18 11.664 -6.250 0.357 1.00 0.00 C ATOM 581 O VAL B 18 12.046 -6.942 1.280 1.00 0.00 O ATOM 582 CB VAL B 18 12.078 -3.800 0.547 1.00 0.00 C ATOM 583 CG1 VAL B 18 13.257 -2.827 0.608 1.00 0.00 C ATOM 584 CG2 VAL B 18 10.920 -3.146 -0.205 1.00 0.00 C ATOM 0 H VAL B 18 11.865 -4.087 -1.951 1.00 0.00 H new ATOM 0 HA VAL B 18 13.563 -5.275 0.034 1.00 0.00 H new ATOM 0 HB VAL B 18 11.755 -4.048 1.558 1.00 0.00 H new ATOM 0 HG11 VAL B 18 12.949 -1.913 1.116 1.00 0.00 H new ATOM 0 HG12 VAL B 18 14.080 -3.286 1.156 1.00 0.00 H new ATOM 0 HG13 VAL B 18 13.584 -2.587 -0.404 1.00 0.00 H new ATOM 0 HG21 VAL B 18 10.621 -2.233 0.310 1.00 0.00 H new ATOM 0 HG22 VAL B 18 11.236 -2.904 -1.220 1.00 0.00 H new ATOM 0 HG23 VAL B 18 10.076 -3.834 -0.242 1.00 0.00 H new ATOM 594 N CYS B 19 10.524 -6.474 -0.228 1.00 0.00 N ATOM 595 CA CYS B 19 9.654 -7.595 0.223 1.00 0.00 C ATOM 596 C CYS B 19 10.029 -8.840 -0.570 1.00 0.00 C ATOM 597 O CYS B 19 10.140 -9.927 -0.039 1.00 0.00 O ATOM 598 CB CYS B 19 8.190 -7.241 -0.042 1.00 0.00 C ATOM 599 SG CYS B 19 7.854 -5.561 0.543 1.00 0.00 S ATOM 0 H CYS B 19 10.154 -5.926 -1.004 1.00 0.00 H new ATOM 0 HA CYS B 19 9.790 -7.774 1.290 1.00 0.00 H new ATOM 0 HB2 CYS B 19 7.975 -7.315 -1.108 1.00 0.00 H new ATOM 0 HB3 CYS B 19 7.536 -7.951 0.465 1.00 0.00 H new ATOM 604 N GLY B 20 10.238 -8.678 -1.844 1.00 0.00 N ATOM 605 CA GLY B 20 10.624 -9.830 -2.696 1.00 0.00 C ATOM 606 C GLY B 20 9.601 -10.957 -2.555 1.00 0.00 C ATOM 607 O GLY B 20 8.407 -10.731 -2.537 1.00 0.00 O ATOM 0 H GLY B 20 10.157 -7.788 -2.335 1.00 0.00 H new ATOM 0 HA2 GLY B 20 10.688 -9.516 -3.738 1.00 0.00 H new ATOM 0 HA3 GLY B 20 11.613 -10.188 -2.409 1.00 0.00 H new ATOM 611 N GLU B 21 10.065 -12.173 -2.465 1.00 0.00 N ATOM 612 CA GLU B 21 9.130 -13.327 -2.338 1.00 0.00 C ATOM 613 C GLU B 21 8.279 -13.177 -1.075 1.00 0.00 C ATOM 614 O GLU B 21 7.276 -13.843 -0.912 1.00 0.00 O ATOM 615 CB GLU B 21 9.936 -14.625 -2.258 1.00 0.00 C ATOM 616 CG GLU B 21 9.826 -15.375 -3.587 1.00 0.00 C ATOM 617 CD GLU B 21 8.730 -16.438 -3.482 1.00 0.00 C ATOM 618 OE1 GLU B 21 8.207 -16.616 -2.395 1.00 0.00 O ATOM 619 OE2 GLU B 21 8.433 -17.056 -4.492 1.00 0.00 O ATOM 0 H GLU B 21 11.055 -12.418 -2.474 1.00 0.00 H new ATOM 0 HA GLU B 21 8.474 -13.353 -3.208 1.00 0.00 H new ATOM 0 HB2 GLU B 21 10.980 -14.404 -2.038 1.00 0.00 H new ATOM 0 HB3 GLU B 21 9.563 -15.248 -1.445 1.00 0.00 H new ATOM 0 HG2 GLU B 21 9.596 -14.678 -4.393 1.00 0.00 H new ATOM 0 HG3 GLU B 21 10.779 -15.843 -3.833 1.00 0.00 H new ATOM 626 N ARG B 22 8.663 -12.308 -0.183 1.00 0.00 N ATOM 627 CA ARG B 22 7.864 -12.125 1.061 1.00 0.00 C ATOM 628 C ARG B 22 6.423 -11.786 0.685 1.00 0.00 C ATOM 629 O ARG B 22 5.507 -11.960 1.465 1.00 0.00 O ATOM 630 CB ARG B 22 8.455 -10.985 1.891 1.00 0.00 C ATOM 631 CG ARG B 22 9.852 -11.376 2.378 1.00 0.00 C ATOM 632 CD ARG B 22 10.418 -10.255 3.250 1.00 0.00 C ATOM 633 NE ARG B 22 10.267 -10.619 4.688 1.00 0.00 N ATOM 634 CZ ARG B 22 9.659 -9.804 5.505 1.00 0.00 C ATOM 635 NH1 ARG B 22 9.827 -8.515 5.386 1.00 0.00 N ATOM 636 NH2 ARG B 22 8.883 -10.277 6.442 1.00 0.00 N ATOM 0 H ARG B 22 9.492 -11.719 -0.260 1.00 0.00 H new ATOM 0 HA ARG B 22 7.886 -13.044 1.647 1.00 0.00 H new ATOM 0 HB2 ARG B 22 8.509 -10.076 1.292 1.00 0.00 H new ATOM 0 HB3 ARG B 22 7.809 -10.769 2.742 1.00 0.00 H new ATOM 0 HG2 ARG B 22 9.804 -12.305 2.946 1.00 0.00 H new ATOM 0 HG3 ARG B 22 10.509 -11.556 1.527 1.00 0.00 H new ATOM 0 HD2 ARG B 22 11.469 -10.092 3.014 1.00 0.00 H new ATOM 0 HD3 ARG B 22 9.896 -9.321 3.044 1.00 0.00 H new ATOM 0 HE ARG B 22 10.639 -11.504 5.032 1.00 0.00 H new ATOM 0 HH11 ARG B 22 10.434 -8.145 4.654 1.00 0.00 H new ATOM 0 HH12 ARG B 22 9.352 -7.878 6.025 1.00 0.00 H new ATOM 0 HH21 ARG B 22 8.752 -11.284 6.535 1.00 0.00 H new ATOM 0 HH22 ARG B 22 8.408 -9.639 7.081 1.00 0.00 H new ATOM 650 N GLY B 23 6.217 -11.305 -0.508 1.00 0.00 N ATOM 651 CA GLY B 23 4.837 -10.953 -0.948 1.00 0.00 C ATOM 652 C GLY B 23 4.398 -9.650 -0.277 1.00 0.00 C ATOM 653 O GLY B 23 4.077 -9.621 0.895 1.00 0.00 O ATOM 0 H GLY B 23 6.947 -11.139 -1.201 1.00 0.00 H new ATOM 0 HA2 GLY B 23 4.808 -10.843 -2.032 1.00 0.00 H new ATOM 0 HA3 GLY B 23 4.147 -11.756 -0.690 1.00 0.00 H new ATOM 657 N PHE B 24 4.379 -8.571 -1.010 1.00 0.00 N ATOM 658 CA PHE B 24 3.956 -7.271 -0.414 1.00 0.00 C ATOM 659 C PHE B 24 2.530 -6.951 -0.862 1.00 0.00 C ATOM 660 O PHE B 24 1.994 -7.583 -1.751 1.00 0.00 O ATOM 661 CB PHE B 24 4.905 -6.162 -0.877 1.00 0.00 C ATOM 662 CG PHE B 24 4.649 -5.846 -2.331 1.00 0.00 C ATOM 663 CD1 PHE B 24 3.608 -4.978 -2.687 1.00 0.00 C ATOM 664 CD2 PHE B 24 5.451 -6.421 -3.326 1.00 0.00 C ATOM 665 CE1 PHE B 24 3.368 -4.686 -4.036 1.00 0.00 C ATOM 666 CE2 PHE B 24 5.212 -6.129 -4.676 1.00 0.00 C ATOM 667 CZ PHE B 24 4.169 -5.262 -5.030 1.00 0.00 C ATOM 0 H PHE B 24 4.638 -8.533 -1.996 1.00 0.00 H new ATOM 0 HA PHE B 24 3.988 -7.339 0.673 1.00 0.00 H new ATOM 0 HB2 PHE B 24 4.759 -5.269 -0.270 1.00 0.00 H new ATOM 0 HB3 PHE B 24 5.940 -6.475 -0.740 1.00 0.00 H new ATOM 0 HD1 PHE B 24 2.990 -4.534 -1.921 1.00 0.00 H new ATOM 0 HD2 PHE B 24 6.254 -7.090 -3.052 1.00 0.00 H new ATOM 0 HE1 PHE B 24 2.566 -4.017 -4.309 1.00 0.00 H new ATOM 0 HE2 PHE B 24 5.831 -6.572 -5.443 1.00 0.00 H new ATOM 0 HZ PHE B 24 3.983 -5.038 -6.070 1.00 0.00 H new ATOM 677 N PHE B 25 1.906 -5.981 -0.252 1.00 0.00 N ATOM 678 CA PHE B 25 0.513 -5.633 -0.648 1.00 0.00 C ATOM 679 C PHE B 25 0.355 -4.112 -0.708 1.00 0.00 C ATOM 680 O PHE B 25 0.064 -3.468 0.280 1.00 0.00 O ATOM 681 CB PHE B 25 -0.466 -6.208 0.378 1.00 0.00 C ATOM 682 CG PHE B 25 -0.194 -5.599 1.732 1.00 0.00 C ATOM 683 CD1 PHE B 25 0.971 -5.939 2.432 1.00 0.00 C ATOM 684 CD2 PHE B 25 -1.108 -4.695 2.290 1.00 0.00 C ATOM 685 CE1 PHE B 25 1.223 -5.375 3.689 1.00 0.00 C ATOM 686 CE2 PHE B 25 -0.856 -4.130 3.547 1.00 0.00 C ATOM 687 CZ PHE B 25 0.309 -4.471 4.247 1.00 0.00 C ATOM 0 H PHE B 25 2.299 -5.416 0.501 1.00 0.00 H new ATOM 0 HA PHE B 25 0.302 -6.054 -1.631 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -1.492 -6.000 0.074 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -0.362 -7.292 0.428 1.00 0.00 H new ATOM 0 HD1 PHE B 25 1.675 -6.636 2.002 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -2.007 -4.434 1.751 1.00 0.00 H new ATOM 0 HE1 PHE B 25 2.121 -5.637 4.228 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -1.559 -3.432 3.976 1.00 0.00 H new ATOM 0 HZ PHE B 25 0.503 -4.037 5.217 1.00 0.00 H new ATOM 697 N TYR B 26 0.543 -3.534 -1.863 1.00 0.00 N ATOM 698 CA TYR B 26 0.399 -2.056 -1.989 1.00 0.00 C ATOM 699 C TYR B 26 -1.089 -1.698 -2.030 1.00 0.00 C ATOM 700 O TYR B 26 -1.826 -2.168 -2.874 1.00 0.00 O ATOM 701 CB TYR B 26 1.079 -1.587 -3.280 1.00 0.00 C ATOM 702 CG TYR B 26 0.650 -0.174 -3.601 1.00 0.00 C ATOM 703 CD1 TYR B 26 1.206 0.905 -2.902 1.00 0.00 C ATOM 704 CD2 TYR B 26 -0.306 0.056 -4.600 1.00 0.00 C ATOM 705 CE1 TYR B 26 0.807 2.215 -3.201 1.00 0.00 C ATOM 706 CE2 TYR B 26 -0.706 1.365 -4.898 1.00 0.00 C ATOM 707 CZ TYR B 26 -0.150 2.444 -4.198 1.00 0.00 C ATOM 708 OH TYR B 26 -0.543 3.735 -4.494 1.00 0.00 O ATOM 0 H TYR B 26 0.790 -4.021 -2.724 1.00 0.00 H new ATOM 0 HA TYR B 26 0.868 -1.565 -1.136 1.00 0.00 H new ATOM 0 HB2 TYR B 26 2.162 -1.631 -3.168 1.00 0.00 H new ATOM 0 HB3 TYR B 26 0.816 -2.252 -4.103 1.00 0.00 H new ATOM 0 HD1 TYR B 26 1.942 0.728 -2.132 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -0.734 -0.776 -5.140 1.00 0.00 H new ATOM 0 HE1 TYR B 26 1.237 3.047 -2.663 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -1.443 1.543 -5.667 1.00 0.00 H new ATOM 0 HH TYR B 26 -1.019 3.744 -5.351 1.00 0.00 H new ATOM 718 N THR B 27 -1.539 -0.872 -1.125 1.00 0.00 N ATOM 719 CA THR B 27 -2.979 -0.492 -1.115 1.00 0.00 C ATOM 720 C THR B 27 -3.201 0.706 -2.041 1.00 0.00 C ATOM 721 O THR B 27 -2.424 0.960 -2.941 1.00 0.00 O ATOM 722 CB THR B 27 -3.399 -0.116 0.309 1.00 0.00 C ATOM 723 OG1 THR B 27 -4.766 0.268 0.312 1.00 0.00 O ATOM 724 CG2 THR B 27 -2.539 1.047 0.805 1.00 0.00 C ATOM 0 H THR B 27 -0.972 -0.445 -0.393 1.00 0.00 H new ATOM 0 HA THR B 27 -3.576 -1.335 -1.462 1.00 0.00 H new ATOM 0 HB THR B 27 -3.261 -0.974 0.968 1.00 0.00 H new ATOM 0 HG1 THR B 27 -4.851 1.174 0.677 1.00 0.00 H new ATOM 0 HG21 THR B 27 -2.838 1.314 1.818 1.00 0.00 H new ATOM 0 HG22 THR B 27 -1.490 0.751 0.803 1.00 0.00 H new ATOM 0 HG23 THR B 27 -2.675 1.906 0.148 1.00 0.00 H new ATOM 732 N LYS B 28 -4.256 1.442 -1.827 1.00 0.00 N ATOM 733 CA LYS B 28 -4.532 2.623 -2.692 1.00 0.00 C ATOM 734 C LYS B 28 -5.849 3.276 -2.256 1.00 0.00 C ATOM 735 O LYS B 28 -6.800 2.589 -1.944 1.00 0.00 O ATOM 736 CB LYS B 28 -4.645 2.170 -4.150 1.00 0.00 C ATOM 737 CG LYS B 28 -4.069 3.251 -5.068 1.00 0.00 C ATOM 738 CD LYS B 28 -3.899 2.684 -6.478 1.00 0.00 C ATOM 739 CE LYS B 28 -4.142 3.790 -7.506 1.00 0.00 C ATOM 740 NZ LYS B 28 -3.904 3.255 -8.877 1.00 0.00 N ATOM 0 H LYS B 28 -4.940 1.276 -1.089 1.00 0.00 H new ATOM 0 HA LYS B 28 -3.720 3.343 -2.597 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -4.108 1.233 -4.293 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -5.688 1.981 -4.403 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -4.732 4.116 -5.090 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.108 3.595 -4.684 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -2.896 2.275 -6.598 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -4.599 1.864 -6.638 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -5.163 4.162 -7.421 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -3.479 4.633 -7.313 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -4.069 4.007 -9.576 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -2.922 2.920 -8.954 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -4.554 2.464 -9.059 1.00 0.00 H new ATOM 754 N PRO B 29 -5.864 4.586 -2.246 1.00 0.00 N ATOM 755 CA PRO B 29 -7.052 5.360 -1.849 1.00 0.00 C ATOM 756 C PRO B 29 -8.070 5.400 -2.993 1.00 0.00 C ATOM 757 O PRO B 29 -7.823 4.904 -4.074 1.00 0.00 O ATOM 758 CB PRO B 29 -6.493 6.757 -1.570 1.00 0.00 C ATOM 759 CG PRO B 29 -5.162 6.859 -2.351 1.00 0.00 C ATOM 760 CD PRO B 29 -4.701 5.415 -2.626 1.00 0.00 C ATOM 0 HA PRO B 29 -7.574 4.935 -0.992 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -7.193 7.527 -1.894 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -6.329 6.904 -0.502 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -5.301 7.406 -3.284 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -4.414 7.401 -1.772 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -4.436 5.274 -3.674 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -3.820 5.159 -2.038 1.00 0.00 H new ATOM 768 N THR B 30 -9.211 5.990 -2.766 1.00 0.00 N ATOM 769 CA THR B 30 -10.239 6.062 -3.842 1.00 0.00 C ATOM 770 C THR B 30 -10.924 7.429 -3.800 1.00 0.00 C ATOM 771 O THR B 30 -10.218 8.423 -3.738 1.00 0.00 O ATOM 772 CB THR B 30 -11.283 4.961 -3.628 1.00 0.00 C ATOM 773 OG1 THR B 30 -10.624 3.743 -3.312 1.00 0.00 O ATOM 774 CG2 THR B 30 -12.106 4.783 -4.905 1.00 0.00 C ATOM 775 OXT THR B 30 -12.143 7.461 -3.832 1.00 0.00 O ATOM 0 H THR B 30 -9.476 6.425 -1.882 1.00 0.00 H new ATOM 0 HA THR B 30 -9.760 5.924 -4.811 1.00 0.00 H new ATOM 0 HB THR B 30 -11.945 5.239 -2.808 1.00 0.00 H new ATOM 0 HG1 THR B 30 -11.290 3.037 -3.173 1.00 0.00 H new ATOM 0 HG21 THR B 30 -12.849 4.000 -4.753 1.00 0.00 H new ATOM 0 HG22 THR B 30 -12.610 5.719 -5.147 1.00 0.00 H new ATOM 0 HG23 THR B 30 -11.447 4.503 -5.727 1.00 0.00 H new TER 783 THR B 30