USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 374 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 12 SER OG : rot 180:sc= 0.0586 USER MOD Set 1.2: A 15 GLN : amide:sc= -0.121 K(o=-0.063,f=-3.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.46) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc=-0.00126 K(o=-0.0013,f=-1.9!) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0.142 K(o=0.14,f=-1.4!) USER MOD Single : B 4 GLN : amide:sc= -0.0145 X(o=-0.015,f=0) USER MOD Single : B 5 HIS : no HE2:sc= -3.43! C(o=-3.4!,f=-4.6!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0203 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0786) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.333 6.032 0.120 1.00 0.00 N ATOM 2 CA GLY A 1 -5.379 7.226 0.070 1.00 0.00 C ATOM 3 C GLY A 1 -3.910 6.987 -0.005 1.00 0.00 C ATOM 4 O GLY A 1 -3.128 7.665 0.631 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.314 6.373 0.170 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.211 5.454 -0.736 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.124 5.456 0.960 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.656 7.830 -0.794 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.567 7.832 0.956 1.00 0.00 H new ATOM 10 N ILE A 2 -3.495 6.027 -0.788 1.00 0.00 N ATOM 11 CA ILE A 2 -2.038 5.743 -0.913 1.00 0.00 C ATOM 12 C ILE A 2 -1.561 6.254 -2.267 1.00 0.00 C ATOM 13 O ILE A 2 -0.423 6.644 -2.439 1.00 0.00 O ATOM 14 CB ILE A 2 -1.809 4.237 -0.820 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.304 3.941 -0.798 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.446 3.557 -2.030 1.00 0.00 C ATOM 17 CD1 ILE A 2 -0.077 2.461 -0.485 1.00 0.00 C ATOM 0 H ILE A 2 -4.103 5.428 -1.346 1.00 0.00 H new ATOM 0 HA ILE A 2 -1.485 6.238 -0.114 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.261 3.856 0.096 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.140 4.192 -1.761 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.188 4.561 -0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.285 2.481 -1.969 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.516 3.764 -2.042 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.992 3.940 -2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.993 2.252 -0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.507 2.225 0.489 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.555 1.850 -1.250 1.00 0.00 H new ATOM 29 N VAL A 3 -2.438 6.261 -3.231 1.00 0.00 N ATOM 30 CA VAL A 3 -2.066 6.749 -4.582 1.00 0.00 C ATOM 31 C VAL A 3 -1.520 8.173 -4.468 1.00 0.00 C ATOM 32 O VAL A 3 -0.794 8.642 -5.321 1.00 0.00 O ATOM 33 CB VAL A 3 -3.309 6.745 -5.468 1.00 0.00 C ATOM 34 CG1 VAL A 3 -2.911 7.057 -6.907 1.00 0.00 C ATOM 35 CG2 VAL A 3 -3.971 5.367 -5.410 1.00 0.00 C ATOM 0 H VAL A 3 -3.404 5.946 -3.137 1.00 0.00 H new ATOM 0 HA VAL A 3 -1.304 6.103 -5.018 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.010 7.501 -5.114 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.799 7.054 -7.539 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.439 8.039 -6.949 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.210 6.302 -7.263 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.859 5.363 -6.042 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.270 4.611 -5.764 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.257 5.144 -4.382 1.00 0.00 H new ATOM 45 N GLU A 4 -1.863 8.864 -3.417 1.00 0.00 N ATOM 46 CA GLU A 4 -1.361 10.255 -3.241 1.00 0.00 C ATOM 47 C GLU A 4 -0.272 10.261 -2.169 1.00 0.00 C ATOM 48 O GLU A 4 0.665 11.034 -2.223 1.00 0.00 O ATOM 49 CB GLU A 4 -2.510 11.158 -2.799 1.00 0.00 C ATOM 50 CG GLU A 4 -1.990 12.583 -2.602 1.00 0.00 C ATOM 51 CD GLU A 4 -2.794 13.550 -3.475 1.00 0.00 C ATOM 52 OE1 GLU A 4 -2.855 13.326 -4.672 1.00 0.00 O ATOM 53 OE2 GLU A 4 -3.334 14.499 -2.930 1.00 0.00 O ATOM 0 H GLU A 4 -2.470 8.525 -2.671 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.954 10.621 -4.184 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.303 11.149 -3.547 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.943 10.786 -1.871 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.073 12.869 -1.554 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.933 12.634 -2.864 1.00 0.00 H new ATOM 60 N GLN A 5 -0.396 9.407 -1.192 1.00 0.00 N ATOM 61 CA GLN A 5 0.623 9.360 -0.104 1.00 0.00 C ATOM 62 C GLN A 5 1.858 8.590 -0.574 1.00 0.00 C ATOM 63 O GLN A 5 2.961 8.839 -0.126 1.00 0.00 O ATOM 64 CB GLN A 5 0.030 8.657 1.119 1.00 0.00 C ATOM 65 CG GLN A 5 -0.945 9.596 1.828 1.00 0.00 C ATOM 66 CD GLN A 5 -0.908 9.327 3.334 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.693 10.228 4.118 1.00 0.00 O ATOM 68 NE2 GLN A 5 -1.109 8.114 3.772 1.00 0.00 N ATOM 0 H GLN A 5 -1.160 8.738 -1.099 1.00 0.00 H new ATOM 0 HA GLN A 5 0.911 10.379 0.156 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.484 7.746 0.813 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.826 8.360 1.802 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.679 10.634 1.626 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.955 9.446 1.446 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.290 7.357 3.113 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.085 7.923 4.774 1.00 0.00 H new ATOM 77 N CYS A 6 1.690 7.658 -1.470 1.00 0.00 N ATOM 78 CA CYS A 6 2.866 6.886 -1.955 1.00 0.00 C ATOM 79 C CYS A 6 3.477 7.618 -3.146 1.00 0.00 C ATOM 80 O CYS A 6 4.635 7.445 -3.472 1.00 0.00 O ATOM 81 CB CYS A 6 2.426 5.485 -2.376 1.00 0.00 C ATOM 82 SG CYS A 6 3.018 4.276 -1.166 1.00 0.00 S ATOM 0 H CYS A 6 0.795 7.399 -1.885 1.00 0.00 H new ATOM 0 HA CYS A 6 3.605 6.797 -1.159 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.339 5.440 -2.449 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.821 5.250 -3.364 1.00 0.00 H new ATOM 87 N CYS A 7 2.705 8.445 -3.793 1.00 0.00 N ATOM 88 CA CYS A 7 3.232 9.203 -4.957 1.00 0.00 C ATOM 89 C CYS A 7 3.863 10.502 -4.456 1.00 0.00 C ATOM 90 O CYS A 7 4.905 10.920 -4.921 1.00 0.00 O ATOM 91 CB CYS A 7 2.083 9.535 -5.911 1.00 0.00 C ATOM 92 SG CYS A 7 1.484 8.025 -6.696 1.00 0.00 S ATOM 0 H CYS A 7 1.728 8.628 -3.563 1.00 0.00 H new ATOM 0 HA CYS A 7 3.977 8.605 -5.481 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.273 10.018 -5.365 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.421 10.241 -6.670 1.00 0.00 H new ATOM 97 N THR A 8 3.242 11.144 -3.500 1.00 0.00 N ATOM 98 CA THR A 8 3.809 12.411 -2.963 1.00 0.00 C ATOM 99 C THR A 8 4.860 12.075 -1.906 1.00 0.00 C ATOM 100 O THR A 8 5.982 12.539 -1.960 1.00 0.00 O ATOM 101 CB THR A 8 2.691 13.247 -2.333 1.00 0.00 C ATOM 102 OG1 THR A 8 1.886 13.809 -3.360 1.00 0.00 O ATOM 103 CG2 THR A 8 3.301 14.367 -1.490 1.00 0.00 C ATOM 0 H THR A 8 2.367 10.843 -3.070 1.00 0.00 H new ATOM 0 HA THR A 8 4.269 12.982 -3.770 1.00 0.00 H new ATOM 0 HB THR A 8 2.076 12.611 -1.696 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.169 14.343 -2.958 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.504 14.961 -1.042 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.918 13.935 -0.702 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.917 15.005 -2.124 1.00 0.00 H new ATOM 111 N SER A 9 4.506 11.265 -0.947 1.00 0.00 N ATOM 112 CA SER A 9 5.483 10.891 0.112 1.00 0.00 C ATOM 113 C SER A 9 6.053 9.505 -0.197 1.00 0.00 C ATOM 114 O SER A 9 5.334 8.595 -0.559 1.00 0.00 O ATOM 115 CB SER A 9 4.779 10.863 1.468 1.00 0.00 C ATOM 116 OG SER A 9 4.586 12.195 1.924 1.00 0.00 O ATOM 0 H SER A 9 3.581 10.846 -0.851 1.00 0.00 H new ATOM 0 HA SER A 9 6.291 11.622 0.140 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.819 10.353 1.382 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.375 10.302 2.188 1.00 0.00 H new ATOM 0 HG SER A 9 4.133 12.181 2.793 1.00 0.00 H new ATOM 122 N ILE A 10 7.339 9.338 -0.062 1.00 0.00 N ATOM 123 CA ILE A 10 7.952 8.012 -0.352 1.00 0.00 C ATOM 124 C ILE A 10 7.387 6.979 0.625 1.00 0.00 C ATOM 125 O ILE A 10 7.022 7.305 1.737 1.00 0.00 O ATOM 126 CB ILE A 10 9.467 8.108 -0.172 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.012 9.208 -1.113 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.090 6.743 -0.489 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.136 8.679 -2.017 1.00 0.00 C ATOM 0 H ILE A 10 7.992 10.062 0.237 1.00 0.00 H new ATOM 0 HA ILE A 10 7.726 7.713 -1.375 1.00 0.00 H new ATOM 0 HB ILE A 10 9.723 8.374 0.854 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.200 9.594 -1.730 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.385 10.042 -0.519 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.171 6.799 -0.364 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.685 5.992 0.189 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.857 6.467 -1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.492 9.482 -2.663 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.959 8.317 -1.401 1.00 0.00 H new ATOM 0 HD13 ILE A 10 10.756 7.862 -2.630 1.00 0.00 H new ATOM 141 N CYS A 11 7.306 5.733 0.232 1.00 0.00 N ATOM 142 CA CYS A 11 6.756 4.706 1.168 1.00 0.00 C ATOM 143 C CYS A 11 7.599 3.432 1.108 1.00 0.00 C ATOM 144 O CYS A 11 7.994 2.982 0.051 1.00 0.00 O ATOM 145 CB CYS A 11 5.300 4.375 0.810 1.00 0.00 C ATOM 146 SG CYS A 11 4.977 4.715 -0.939 1.00 0.00 S ATOM 0 H CYS A 11 7.592 5.386 -0.683 1.00 0.00 H new ATOM 0 HA CYS A 11 6.788 5.113 2.179 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.097 3.326 1.025 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.625 4.964 1.431 1.00 0.00 H new ATOM 151 N SER A 12 7.879 2.850 2.245 1.00 0.00 N ATOM 152 CA SER A 12 8.700 1.607 2.271 1.00 0.00 C ATOM 153 C SER A 12 7.794 0.383 2.440 1.00 0.00 C ATOM 154 O SER A 12 6.628 0.496 2.769 1.00 0.00 O ATOM 155 CB SER A 12 9.682 1.673 3.440 1.00 0.00 C ATOM 156 OG SER A 12 9.131 2.486 4.469 1.00 0.00 O ATOM 0 H SER A 12 7.573 3.184 3.159 1.00 0.00 H new ATOM 0 HA SER A 12 9.247 1.521 1.332 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.882 0.671 3.820 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.635 2.084 3.107 1.00 0.00 H new ATOM 0 HG SER A 12 9.757 2.530 5.222 1.00 0.00 H new ATOM 162 N LEU A 13 8.332 -0.785 2.205 1.00 0.00 N ATOM 163 CA LEU A 13 7.538 -2.041 2.331 1.00 0.00 C ATOM 164 C LEU A 13 6.525 -1.944 3.470 1.00 0.00 C ATOM 165 O LEU A 13 5.373 -2.292 3.315 1.00 0.00 O ATOM 166 CB LEU A 13 8.476 -3.215 2.596 1.00 0.00 C ATOM 167 CG LEU A 13 7.649 -4.464 2.897 1.00 0.00 C ATOM 168 CD1 LEU A 13 6.683 -4.729 1.742 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.585 -5.658 3.061 1.00 0.00 C ATOM 0 H LEU A 13 9.304 -0.923 1.927 1.00 0.00 H new ATOM 0 HA LEU A 13 6.997 -2.194 1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.115 -3.388 1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.133 -2.988 3.436 1.00 0.00 H new ATOM 0 HG LEU A 13 7.081 -4.314 3.815 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.094 -5.620 1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.017 -3.874 1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.248 -4.882 0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.000 -6.552 3.276 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.150 -5.807 2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.275 -5.469 3.884 1.00 0.00 H new ATOM 181 N TYR A 14 6.946 -1.491 4.614 1.00 0.00 N ATOM 182 CA TYR A 14 6.006 -1.388 5.764 1.00 0.00 C ATOM 183 C TYR A 14 4.659 -0.835 5.286 1.00 0.00 C ATOM 184 O TYR A 14 3.645 -1.503 5.360 1.00 0.00 O ATOM 185 CB TYR A 14 6.602 -0.460 6.825 1.00 0.00 C ATOM 186 CG TYR A 14 7.904 -1.043 7.326 1.00 0.00 C ATOM 187 CD1 TYR A 14 7.890 -2.106 8.240 1.00 0.00 C ATOM 188 CD2 TYR A 14 9.124 -0.522 6.876 1.00 0.00 C ATOM 189 CE1 TYR A 14 9.097 -2.647 8.702 1.00 0.00 C ATOM 190 CE2 TYR A 14 10.331 -1.064 7.339 1.00 0.00 C ATOM 191 CZ TYR A 14 10.317 -2.125 8.253 1.00 0.00 C ATOM 192 OH TYR A 14 11.506 -2.659 8.709 1.00 0.00 O ATOM 0 H TYR A 14 7.901 -1.187 4.804 1.00 0.00 H new ATOM 0 HA TYR A 14 5.850 -2.377 6.195 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.772 0.531 6.404 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.903 -0.338 7.652 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.950 -2.507 8.588 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.135 0.297 6.172 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.087 -3.467 9.405 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.272 -0.663 6.991 1.00 0.00 H new ATOM 0 HH TYR A 14 12.257 -2.183 8.298 1.00 0.00 H new ATOM 202 N GLN A 15 4.638 0.370 4.784 1.00 0.00 N ATOM 203 CA GLN A 15 3.353 0.949 4.298 1.00 0.00 C ATOM 204 C GLN A 15 2.715 -0.022 3.310 1.00 0.00 C ATOM 205 O GLN A 15 1.523 -0.254 3.329 1.00 0.00 O ATOM 206 CB GLN A 15 3.622 2.284 3.599 1.00 0.00 C ATOM 207 CG GLN A 15 3.534 3.423 4.617 1.00 0.00 C ATOM 208 CD GLN A 15 4.907 3.646 5.252 1.00 0.00 C ATOM 209 OE1 GLN A 15 5.923 3.368 4.646 1.00 0.00 O ATOM 210 NE2 GLN A 15 4.982 4.140 6.458 1.00 0.00 N ATOM 0 H GLN A 15 5.452 0.977 4.690 1.00 0.00 H new ATOM 0 HA GLN A 15 2.682 1.115 5.141 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.609 2.272 3.136 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.897 2.440 2.800 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.195 4.336 4.128 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.800 3.182 5.386 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.130 4.374 6.967 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.893 4.292 6.891 1.00 0.00 H new ATOM 219 N LEU A 16 3.505 -0.595 2.447 1.00 0.00 N ATOM 220 CA LEU A 16 2.952 -1.556 1.454 1.00 0.00 C ATOM 221 C LEU A 16 2.244 -2.698 2.183 1.00 0.00 C ATOM 222 O LEU A 16 1.088 -2.984 1.941 1.00 0.00 O ATOM 223 CB LEU A 16 4.088 -2.128 0.624 1.00 0.00 C ATOM 224 CG LEU A 16 4.582 -1.055 -0.338 1.00 0.00 C ATOM 225 CD1 LEU A 16 6.026 -0.698 -0.014 1.00 0.00 C ATOM 226 CD2 LEU A 16 4.503 -1.583 -1.765 1.00 0.00 C ATOM 0 H LEU A 16 4.511 -0.439 2.386 1.00 0.00 H new ATOM 0 HA LEU A 16 2.242 -1.039 0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.900 -2.457 1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.748 -3.003 0.071 1.00 0.00 H new ATOM 0 HG LEU A 16 3.959 -0.166 -0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.375 0.070 -0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.088 -0.322 1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.651 -1.586 -0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.856 -0.818 -2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.127 -2.472 -1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.470 -1.838 -2.002 1.00 0.00 H new ATOM 238 N GLU A 17 2.938 -3.358 3.069 1.00 0.00 N ATOM 239 CA GLU A 17 2.322 -4.492 3.816 1.00 0.00 C ATOM 240 C GLU A 17 0.997 -4.051 4.440 1.00 0.00 C ATOM 241 O GLU A 17 0.167 -4.865 4.793 1.00 0.00 O ATOM 242 CB GLU A 17 3.276 -4.950 4.920 1.00 0.00 C ATOM 243 CG GLU A 17 4.316 -5.908 4.332 1.00 0.00 C ATOM 244 CD GLU A 17 4.341 -7.205 5.145 1.00 0.00 C ATOM 245 OE1 GLU A 17 3.653 -7.265 6.151 1.00 0.00 O ATOM 246 OE2 GLU A 17 5.048 -8.115 4.747 1.00 0.00 O ATOM 0 H GLU A 17 3.909 -3.160 3.309 1.00 0.00 H new ATOM 0 HA GLU A 17 2.135 -5.314 3.126 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.772 -4.088 5.367 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.718 -5.445 5.715 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.077 -6.125 3.291 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.301 -5.442 4.343 1.00 0.00 H new ATOM 253 N ASN A 18 0.790 -2.773 4.587 1.00 0.00 N ATOM 254 CA ASN A 18 -0.482 -2.292 5.196 1.00 0.00 C ATOM 255 C ASN A 18 -1.548 -2.126 4.111 1.00 0.00 C ATOM 256 O ASN A 18 -2.572 -1.508 4.326 1.00 0.00 O ATOM 257 CB ASN A 18 -0.244 -0.947 5.883 1.00 0.00 C ATOM 258 CG ASN A 18 -0.711 -1.027 7.337 1.00 0.00 C ATOM 259 OD1 ASN A 18 -1.733 -1.615 7.628 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.002 -0.457 8.269 1.00 0.00 N ATOM 0 H ASN A 18 1.445 -2.041 4.312 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.825 -3.022 5.929 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.814 -0.689 5.844 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.784 -0.158 5.359 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.299 -0.505 9.242 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.860 0.037 8.024 1.00 0.00 H new ATOM 267 N TYR A 19 -1.323 -2.672 2.948 1.00 0.00 N ATOM 268 CA TYR A 19 -2.334 -2.540 1.863 1.00 0.00 C ATOM 269 C TYR A 19 -2.428 -3.853 1.089 1.00 0.00 C ATOM 270 O TYR A 19 -2.467 -3.869 -0.125 1.00 0.00 O ATOM 271 CB TYR A 19 -1.919 -1.414 0.917 1.00 0.00 C ATOM 272 CG TYR A 19 -1.815 -0.125 1.694 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.972 0.494 2.185 1.00 0.00 C ATOM 274 CD2 TYR A 19 -0.559 0.449 1.926 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.872 1.690 2.909 1.00 0.00 C ATOM 276 CE2 TYR A 19 -0.459 1.644 2.649 1.00 0.00 C ATOM 277 CZ TYR A 19 -1.615 2.266 3.140 1.00 0.00 C ATOM 278 OH TYR A 19 -1.515 3.444 3.852 1.00 0.00 O ATOM 0 H TYR A 19 -0.486 -3.202 2.703 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.306 -2.309 2.297 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.962 -1.649 0.450 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.649 -1.310 0.114 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.940 0.050 2.006 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.332 -0.030 1.548 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.763 2.168 3.289 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.510 2.087 2.828 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.573 3.705 3.922 1.00 0.00 H new ATOM 288 N CYS A 20 -2.466 -4.956 1.782 1.00 0.00 N ATOM 289 CA CYS A 20 -2.558 -6.267 1.083 1.00 0.00 C ATOM 290 C CYS A 20 -2.860 -7.368 2.099 1.00 0.00 C ATOM 291 O CYS A 20 -2.626 -7.218 3.281 1.00 0.00 O ATOM 292 CB CYS A 20 -1.232 -6.566 0.384 1.00 0.00 C ATOM 293 SG CYS A 20 -1.245 -8.268 -0.232 1.00 0.00 S ATOM 0 H CYS A 20 -2.437 -5.006 2.800 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.358 -6.228 0.343 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.079 -5.870 -0.441 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.403 -6.425 1.078 1.00 0.00 H new ATOM 298 N ASN A 21 -3.377 -8.478 1.646 1.00 0.00 N ATOM 299 CA ASN A 21 -3.690 -9.590 2.587 1.00 0.00 C ATOM 300 C ASN A 21 -2.388 -10.143 3.171 1.00 0.00 C ATOM 301 O ASN A 21 -2.370 -11.308 3.530 1.00 0.00 O ATOM 302 CB ASN A 21 -4.427 -10.700 1.837 1.00 0.00 C ATOM 303 CG ASN A 21 -5.817 -10.206 1.435 1.00 0.00 C ATOM 304 OD1 ASN A 21 -6.241 -9.147 1.851 1.00 0.00 O ATOM 305 ND2 ASN A 21 -6.551 -10.934 0.637 1.00 0.00 N ATOM 306 OXT ASN A 21 -1.430 -9.391 3.250 1.00 0.00 O ATOM 0 H ASN A 21 -3.596 -8.662 0.667 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.321 -9.218 3.394 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.863 -10.992 0.951 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.512 -11.585 2.467 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.480 -10.613 0.364 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.196 -11.824 0.287 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 12.946 -3.718 -0.422 1.00 0.00 N ATOM 315 CA PHE B 1 12.628 -2.562 -1.309 1.00 0.00 C ATOM 316 C PHE B 1 13.071 -1.262 -0.633 1.00 0.00 C ATOM 317 O PHE B 1 12.592 -0.905 0.425 1.00 0.00 O ATOM 318 CB PHE B 1 11.119 -2.515 -1.566 1.00 0.00 C ATOM 319 CG PHE B 1 10.863 -2.476 -3.053 1.00 0.00 C ATOM 320 CD1 PHE B 1 11.576 -1.583 -3.863 1.00 0.00 C ATOM 321 CD2 PHE B 1 9.912 -3.334 -3.625 1.00 0.00 C ATOM 322 CE1 PHE B 1 11.340 -1.546 -5.244 1.00 0.00 C ATOM 323 CE2 PHE B 1 9.676 -3.297 -5.006 1.00 0.00 C ATOM 324 CZ PHE B 1 10.390 -2.402 -5.815 1.00 0.00 C ATOM 0 H1 PHE B 1 12.645 -4.601 -0.881 1.00 0.00 H new ATOM 0 H2 PHE B 1 13.971 -3.750 -0.248 1.00 0.00 H new ATOM 0 H3 PHE B 1 12.444 -3.610 0.483 1.00 0.00 H new ATOM 0 HA PHE B 1 13.155 -2.676 -2.256 1.00 0.00 H new ATOM 0 HB2 PHE B 1 10.637 -3.388 -1.126 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.685 -1.637 -1.088 1.00 0.00 H new ATOM 0 HD1 PHE B 1 12.308 -0.922 -3.423 1.00 0.00 H new ATOM 0 HD2 PHE B 1 9.362 -4.023 -3.001 1.00 0.00 H new ATOM 0 HE1 PHE B 1 11.891 -0.857 -5.868 1.00 0.00 H new ATOM 0 HE2 PHE B 1 8.944 -3.958 -5.447 1.00 0.00 H new ATOM 0 HZ PHE B 1 10.207 -2.373 -6.879 1.00 0.00 H new ATOM 336 N VAL B 2 13.986 -0.554 -1.237 1.00 0.00 N ATOM 337 CA VAL B 2 14.466 0.717 -0.640 1.00 0.00 C ATOM 338 C VAL B 2 13.297 1.693 -0.477 1.00 0.00 C ATOM 339 O VAL B 2 12.159 1.367 -0.747 1.00 0.00 O ATOM 340 CB VAL B 2 15.513 1.327 -1.568 1.00 0.00 C ATOM 341 CG1 VAL B 2 16.838 0.580 -1.406 1.00 0.00 C ATOM 342 CG2 VAL B 2 15.039 1.214 -3.020 1.00 0.00 C ATOM 0 H VAL B 2 14.422 -0.806 -2.124 1.00 0.00 H new ATOM 0 HA VAL B 2 14.901 0.521 0.340 1.00 0.00 H new ATOM 0 HB VAL B 2 15.654 2.377 -1.312 1.00 0.00 H new ATOM 0 HG11 VAL B 2 17.585 1.016 -2.069 1.00 0.00 H new ATOM 0 HG12 VAL B 2 17.178 0.661 -0.373 1.00 0.00 H new ATOM 0 HG13 VAL B 2 16.697 -0.471 -1.660 1.00 0.00 H new ATOM 0 HG21 VAL B 2 15.787 1.650 -3.682 1.00 0.00 H new ATOM 0 HG22 VAL B 2 14.896 0.164 -3.275 1.00 0.00 H new ATOM 0 HG23 VAL B 2 14.096 1.748 -3.137 1.00 0.00 H new ATOM 352 N ASN B 3 13.574 2.892 -0.042 1.00 0.00 N ATOM 353 CA ASN B 3 12.483 3.897 0.135 1.00 0.00 C ATOM 354 C ASN B 3 12.236 4.595 -1.206 1.00 0.00 C ATOM 355 O ASN B 3 12.686 5.701 -1.434 1.00 0.00 O ATOM 356 CB ASN B 3 12.893 4.937 1.192 1.00 0.00 C ATOM 357 CG ASN B 3 14.026 4.390 2.065 1.00 0.00 C ATOM 358 OD1 ASN B 3 15.180 4.450 1.692 1.00 0.00 O ATOM 359 ND2 ASN B 3 13.742 3.855 3.221 1.00 0.00 N ATOM 0 H ASN B 3 14.509 3.221 0.199 1.00 0.00 H new ATOM 0 HA ASN B 3 11.574 3.398 0.469 1.00 0.00 H new ATOM 0 HB2 ASN B 3 13.214 5.856 0.702 1.00 0.00 H new ATOM 0 HB3 ASN B 3 12.035 5.190 1.815 1.00 0.00 H new ATOM 0 HD21 ASN B 3 14.489 3.488 3.810 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.773 3.804 3.535 1.00 0.00 H new ATOM 366 N GLN B 4 11.543 3.946 -2.105 1.00 0.00 N ATOM 367 CA GLN B 4 11.291 4.558 -3.443 1.00 0.00 C ATOM 368 C GLN B 4 9.877 5.152 -3.525 1.00 0.00 C ATOM 369 O GLN B 4 9.113 5.127 -2.575 1.00 0.00 O ATOM 370 CB GLN B 4 11.446 3.482 -4.519 1.00 0.00 C ATOM 371 CG GLN B 4 12.857 3.544 -5.105 1.00 0.00 C ATOM 372 CD GLN B 4 12.787 3.371 -6.623 1.00 0.00 C ATOM 373 OE1 GLN B 4 13.344 4.158 -7.362 1.00 0.00 O ATOM 374 NE2 GLN B 4 12.119 2.368 -7.123 1.00 0.00 N ATOM 0 H GLN B 4 11.141 3.018 -1.970 1.00 0.00 H new ATOM 0 HA GLN B 4 12.011 5.362 -3.597 1.00 0.00 H new ATOM 0 HB2 GLN B 4 11.262 2.496 -4.092 1.00 0.00 H new ATOM 0 HB3 GLN B 4 10.707 3.631 -5.306 1.00 0.00 H new ATOM 0 HG2 GLN B 4 13.323 4.498 -4.858 1.00 0.00 H new ATOM 0 HG3 GLN B 4 13.479 2.763 -4.668 1.00 0.00 H new ATOM 0 HE21 GLN B 4 11.651 1.707 -6.503 1.00 0.00 H new ATOM 0 HE22 GLN B 4 12.065 2.245 -8.134 1.00 0.00 H new ATOM 383 N HIS B 5 9.533 5.681 -4.675 1.00 0.00 N ATOM 384 CA HIS B 5 8.181 6.282 -4.870 1.00 0.00 C ATOM 385 C HIS B 5 7.242 5.229 -5.464 1.00 0.00 C ATOM 386 O HIS B 5 7.507 4.672 -6.511 1.00 0.00 O ATOM 387 CB HIS B 5 8.278 7.454 -5.851 1.00 0.00 C ATOM 388 CG HIS B 5 8.671 8.709 -5.122 1.00 0.00 C ATOM 389 ND1 HIS B 5 9.591 9.587 -5.654 1.00 0.00 N ATOM 390 CD2 HIS B 5 8.256 9.225 -3.926 1.00 0.00 C ATOM 391 CE1 HIS B 5 9.708 10.597 -4.782 1.00 0.00 C ATOM 392 NE2 HIS B 5 8.909 10.420 -3.710 1.00 0.00 N ATOM 0 H HIS B 5 10.140 5.721 -5.494 1.00 0.00 H new ATOM 0 HA HIS B 5 7.800 6.630 -3.910 1.00 0.00 H new ATOM 0 HB2 HIS B 5 9.011 7.230 -6.626 1.00 0.00 H new ATOM 0 HB3 HIS B 5 7.320 7.600 -6.351 1.00 0.00 H new ATOM 0 HD1 HIS B 5 10.087 9.487 -6.540 1.00 0.00 H new ATOM 0 HD2 HIS B 5 7.536 8.772 -3.261 1.00 0.00 H new ATOM 0 HE1 HIS B 5 10.360 11.447 -4.920 1.00 0.00 H new ATOM 400 N LEU B 6 6.146 4.957 -4.815 1.00 0.00 N ATOM 401 CA LEU B 6 5.195 3.947 -5.359 1.00 0.00 C ATOM 402 C LEU B 6 4.027 4.670 -6.036 1.00 0.00 C ATOM 403 O LEU B 6 3.089 5.086 -5.390 1.00 0.00 O ATOM 404 CB LEU B 6 4.673 3.075 -4.215 1.00 0.00 C ATOM 405 CG LEU B 6 5.815 2.767 -3.246 1.00 0.00 C ATOM 406 CD1 LEU B 6 5.285 1.923 -2.086 1.00 0.00 C ATOM 407 CD2 LEU B 6 6.913 1.992 -3.980 1.00 0.00 C ATOM 0 H LEU B 6 5.867 5.388 -3.934 1.00 0.00 H new ATOM 0 HA LEU B 6 5.702 3.316 -6.089 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.866 3.588 -3.692 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.258 2.148 -4.611 1.00 0.00 H new ATOM 0 HG LEU B 6 6.225 3.700 -2.860 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.099 1.703 -1.395 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.503 2.474 -1.563 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.875 0.990 -2.473 1.00 0.00 H new ATOM 0 HD21 LEU B 6 7.727 1.772 -3.289 1.00 0.00 H new ATOM 0 HD22 LEU B 6 6.503 1.059 -4.367 1.00 0.00 H new ATOM 0 HD23 LEU B 6 7.291 2.592 -4.807 1.00 0.00 H new ATOM 419 N CYS B 7 4.077 4.837 -7.330 1.00 0.00 N ATOM 420 CA CYS B 7 2.964 5.549 -8.019 1.00 0.00 C ATOM 421 C CYS B 7 2.357 4.673 -9.120 1.00 0.00 C ATOM 422 O CYS B 7 3.048 4.175 -9.986 1.00 0.00 O ATOM 423 CB CYS B 7 3.494 6.842 -8.641 1.00 0.00 C ATOM 424 SG CYS B 7 2.210 8.119 -8.580 1.00 0.00 S ATOM 0 H CYS B 7 4.833 4.515 -7.934 1.00 0.00 H new ATOM 0 HA CYS B 7 2.191 5.775 -7.284 1.00 0.00 H new ATOM 0 HB2 CYS B 7 4.381 7.178 -8.104 1.00 0.00 H new ATOM 0 HB3 CYS B 7 3.795 6.664 -9.673 1.00 0.00 H new ATOM 429 N GLY B 8 1.060 4.506 -9.094 1.00 0.00 N ATOM 430 CA GLY B 8 0.369 3.689 -10.136 1.00 0.00 C ATOM 431 C GLY B 8 1.220 2.484 -10.544 1.00 0.00 C ATOM 432 O GLY B 8 1.352 1.525 -9.809 1.00 0.00 O ATOM 0 H GLY B 8 0.443 4.906 -8.387 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -0.593 3.347 -9.755 1.00 0.00 H new ATOM 0 HA3 GLY B 8 0.164 4.307 -11.010 1.00 0.00 H new ATOM 436 N SER B 9 1.784 2.521 -11.723 1.00 0.00 N ATOM 437 CA SER B 9 2.611 1.375 -12.199 1.00 0.00 C ATOM 438 C SER B 9 3.496 0.862 -11.062 1.00 0.00 C ATOM 439 O SER B 9 3.280 -0.210 -10.532 1.00 0.00 O ATOM 440 CB SER B 9 3.492 1.829 -13.363 1.00 0.00 C ATOM 441 OG SER B 9 2.695 2.538 -14.304 1.00 0.00 O ATOM 0 H SER B 9 1.707 3.299 -12.378 1.00 0.00 H new ATOM 0 HA SER B 9 1.951 0.573 -12.530 1.00 0.00 H new ATOM 0 HB2 SER B 9 4.298 2.466 -12.998 1.00 0.00 H new ATOM 0 HB3 SER B 9 3.958 0.967 -13.840 1.00 0.00 H new ATOM 0 HG SER B 9 3.256 2.833 -15.052 1.00 0.00 H new ATOM 447 N ASP B 10 4.487 1.616 -10.682 1.00 0.00 N ATOM 448 CA ASP B 10 5.377 1.169 -9.578 1.00 0.00 C ATOM 449 C ASP B 10 4.516 0.746 -8.399 1.00 0.00 C ATOM 450 O ASP B 10 4.728 -0.286 -7.794 1.00 0.00 O ATOM 451 CB ASP B 10 6.274 2.329 -9.148 1.00 0.00 C ATOM 452 CG ASP B 10 7.116 2.797 -10.337 1.00 0.00 C ATOM 453 OD1 ASP B 10 7.763 1.960 -10.946 1.00 0.00 O ATOM 454 OD2 ASP B 10 7.098 3.984 -10.619 1.00 0.00 O ATOM 0 H ASP B 10 4.719 2.522 -11.088 1.00 0.00 H new ATOM 0 HA ASP B 10 5.994 0.335 -9.914 1.00 0.00 H new ATOM 0 HB2 ASP B 10 5.666 3.153 -8.774 1.00 0.00 H new ATOM 0 HB3 ASP B 10 6.924 2.016 -8.331 1.00 0.00 H new ATOM 459 N LEU B 11 3.541 1.542 -8.072 1.00 0.00 N ATOM 460 CA LEU B 11 2.648 1.203 -6.936 1.00 0.00 C ATOM 461 C LEU B 11 2.280 -0.274 -7.036 1.00 0.00 C ATOM 462 O LEU B 11 2.470 -1.040 -6.112 1.00 0.00 O ATOM 463 CB LEU B 11 1.388 2.065 -7.038 1.00 0.00 C ATOM 464 CG LEU B 11 0.696 2.257 -5.677 1.00 0.00 C ATOM 465 CD1 LEU B 11 1.711 2.359 -4.532 1.00 0.00 C ATOM 466 CD2 LEU B 11 -0.103 3.556 -5.736 1.00 0.00 C ATOM 0 H LEU B 11 3.323 2.418 -8.546 1.00 0.00 H new ATOM 0 HA LEU B 11 3.140 1.391 -5.982 1.00 0.00 H new ATOM 0 HB2 LEU B 11 1.650 3.040 -7.450 1.00 0.00 H new ATOM 0 HB3 LEU B 11 0.690 1.602 -7.735 1.00 0.00 H new ATOM 0 HG LEU B 11 0.057 1.395 -5.485 1.00 0.00 H new ATOM 0 HD11 LEU B 11 1.183 2.494 -3.588 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.304 1.445 -4.489 1.00 0.00 H new ATOM 0 HD13 LEU B 11 2.369 3.210 -4.704 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.605 3.718 -4.782 1.00 0.00 H new ATOM 0 HD22 LEU B 11 0.571 4.389 -5.937 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.846 3.490 -6.531 1.00 0.00 H new ATOM 478 N ALA B 12 1.772 -0.680 -8.165 1.00 0.00 N ATOM 479 CA ALA B 12 1.409 -2.109 -8.346 1.00 0.00 C ATOM 480 C ALA B 12 2.689 -2.928 -8.397 1.00 0.00 C ATOM 481 O ALA B 12 2.909 -3.804 -7.590 1.00 0.00 O ATOM 482 CB ALA B 12 0.667 -2.289 -9.669 1.00 0.00 C ATOM 0 H ALA B 12 1.593 -0.081 -8.971 1.00 0.00 H new ATOM 0 HA ALA B 12 0.773 -2.433 -7.522 1.00 0.00 H new ATOM 0 HB1 ALA B 12 0.403 -3.339 -9.798 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -0.240 -1.684 -9.663 1.00 0.00 H new ATOM 0 HB3 ALA B 12 1.308 -1.973 -10.492 1.00 0.00 H new ATOM 488 N GLU B 13 3.540 -2.642 -9.342 1.00 0.00 N ATOM 489 CA GLU B 13 4.806 -3.401 -9.449 1.00 0.00 C ATOM 490 C GLU B 13 5.424 -3.541 -8.059 1.00 0.00 C ATOM 491 O GLU B 13 6.102 -4.506 -7.767 1.00 0.00 O ATOM 492 CB GLU B 13 5.763 -2.650 -10.370 1.00 0.00 C ATOM 493 CG GLU B 13 7.053 -3.447 -10.498 1.00 0.00 C ATOM 494 CD GLU B 13 7.003 -4.307 -11.762 1.00 0.00 C ATOM 495 OE1 GLU B 13 7.327 -3.792 -12.819 1.00 0.00 O ATOM 496 OE2 GLU B 13 6.640 -5.467 -11.651 1.00 0.00 O ATOM 0 H GLU B 13 3.409 -1.913 -10.044 1.00 0.00 H new ATOM 0 HA GLU B 13 4.615 -4.392 -9.860 1.00 0.00 H new ATOM 0 HB2 GLU B 13 5.309 -2.508 -11.351 1.00 0.00 H new ATOM 0 HB3 GLU B 13 5.971 -1.658 -9.969 1.00 0.00 H new ATOM 0 HG2 GLU B 13 7.907 -2.771 -10.540 1.00 0.00 H new ATOM 0 HG3 GLU B 13 7.190 -4.080 -9.621 1.00 0.00 H new ATOM 503 N ALA B 14 5.187 -2.594 -7.193 1.00 0.00 N ATOM 504 CA ALA B 14 5.753 -2.694 -5.820 1.00 0.00 C ATOM 505 C ALA B 14 4.929 -3.704 -5.026 1.00 0.00 C ATOM 506 O ALA B 14 5.454 -4.651 -4.476 1.00 0.00 O ATOM 507 CB ALA B 14 5.690 -1.328 -5.133 1.00 0.00 C ATOM 0 H ALA B 14 4.629 -1.760 -7.376 1.00 0.00 H new ATOM 0 HA ALA B 14 6.793 -3.016 -5.871 1.00 0.00 H new ATOM 0 HB1 ALA B 14 6.105 -1.407 -4.128 1.00 0.00 H new ATOM 0 HB2 ALA B 14 6.267 -0.604 -5.709 1.00 0.00 H new ATOM 0 HB3 ALA B 14 4.653 -0.999 -5.072 1.00 0.00 H new ATOM 513 N LEU B 15 3.636 -3.523 -4.978 1.00 0.00 N ATOM 514 CA LEU B 15 2.782 -4.488 -4.233 1.00 0.00 C ATOM 515 C LEU B 15 2.819 -5.831 -4.966 1.00 0.00 C ATOM 516 O LEU B 15 2.660 -6.883 -4.381 1.00 0.00 O ATOM 517 CB LEU B 15 1.343 -3.970 -4.193 1.00 0.00 C ATOM 518 CG LEU B 15 1.286 -2.678 -3.378 1.00 0.00 C ATOM 519 CD1 LEU B 15 -0.077 -2.015 -3.570 1.00 0.00 C ATOM 520 CD2 LEU B 15 1.485 -3.004 -1.899 1.00 0.00 C ATOM 0 H LEU B 15 3.138 -2.751 -5.421 1.00 0.00 H new ATOM 0 HA LEU B 15 3.149 -4.605 -3.213 1.00 0.00 H new ATOM 0 HB2 LEU B 15 0.982 -3.789 -5.206 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.688 -4.720 -3.750 1.00 0.00 H new ATOM 0 HG LEU B 15 2.071 -2.001 -3.713 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -0.118 -1.094 -2.989 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.225 -1.786 -4.625 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.862 -2.692 -3.233 1.00 0.00 H new ATOM 0 HD21 LEU B 15 1.445 -2.084 -1.315 1.00 0.00 H new ATOM 0 HD22 LEU B 15 0.697 -3.680 -1.566 1.00 0.00 H new ATOM 0 HD23 LEU B 15 2.455 -3.481 -1.759 1.00 0.00 H new ATOM 532 N TYR B 16 3.034 -5.784 -6.251 1.00 0.00 N ATOM 533 CA TYR B 16 3.092 -7.029 -7.067 1.00 0.00 C ATOM 534 C TYR B 16 4.330 -7.833 -6.686 1.00 0.00 C ATOM 535 O TYR B 16 4.402 -9.027 -6.901 1.00 0.00 O ATOM 536 CB TYR B 16 3.205 -6.648 -8.544 1.00 0.00 C ATOM 537 CG TYR B 16 2.176 -7.400 -9.341 1.00 0.00 C ATOM 538 CD1 TYR B 16 2.148 -8.799 -9.304 1.00 0.00 C ATOM 539 CD2 TYR B 16 1.251 -6.698 -10.120 1.00 0.00 C ATOM 540 CE1 TYR B 16 1.189 -9.498 -10.048 1.00 0.00 C ATOM 541 CE2 TYR B 16 0.290 -7.395 -10.865 1.00 0.00 C ATOM 542 CZ TYR B 16 0.258 -8.796 -10.829 1.00 0.00 C ATOM 543 OH TYR B 16 -0.687 -9.483 -11.563 1.00 0.00 O ATOM 0 H TYR B 16 3.174 -4.922 -6.778 1.00 0.00 H new ATOM 0 HA TYR B 16 2.194 -7.620 -6.889 1.00 0.00 H new ATOM 0 HB2 TYR B 16 3.059 -5.575 -8.665 1.00 0.00 H new ATOM 0 HB3 TYR B 16 4.204 -6.878 -8.913 1.00 0.00 H new ATOM 0 HD1 TYR B 16 2.865 -9.339 -8.703 1.00 0.00 H new ATOM 0 HD2 TYR B 16 1.277 -5.619 -10.148 1.00 0.00 H new ATOM 0 HE1 TYR B 16 1.166 -10.577 -10.021 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -0.425 -6.853 -11.466 1.00 0.00 H new ATOM 0 HH TYR B 16 -1.253 -8.845 -12.046 1.00 0.00 H new ATOM 553 N LEU B 17 5.318 -7.178 -6.156 1.00 0.00 N ATOM 554 CA LEU B 17 6.567 -7.873 -5.798 1.00 0.00 C ATOM 555 C LEU B 17 6.601 -8.154 -4.292 1.00 0.00 C ATOM 556 O LEU B 17 7.497 -8.804 -3.791 1.00 0.00 O ATOM 557 CB LEU B 17 7.714 -6.961 -6.201 1.00 0.00 C ATOM 558 CG LEU B 17 9.051 -7.614 -5.892 1.00 0.00 C ATOM 559 CD1 LEU B 17 8.995 -9.126 -6.157 1.00 0.00 C ATOM 560 CD2 LEU B 17 10.098 -6.994 -6.802 1.00 0.00 C ATOM 0 H LEU B 17 5.308 -6.178 -5.955 1.00 0.00 H new ATOM 0 HA LEU B 17 6.643 -8.832 -6.310 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.650 -6.737 -7.266 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.635 -6.012 -5.670 1.00 0.00 H new ATOM 0 HG LEU B 17 9.296 -7.456 -4.842 1.00 0.00 H new ATOM 0 HD11 LEU B 17 9.963 -9.571 -5.929 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.230 -9.578 -5.526 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.752 -9.303 -7.205 1.00 0.00 H new ATOM 0 HD21 LEU B 17 11.069 -7.446 -6.600 1.00 0.00 H new ATOM 0 HD22 LEU B 17 9.825 -7.169 -7.843 1.00 0.00 H new ATOM 0 HD23 LEU B 17 10.152 -5.921 -6.617 1.00 0.00 H new ATOM 572 N VAL B 18 5.632 -7.676 -3.560 1.00 0.00 N ATOM 573 CA VAL B 18 5.622 -7.930 -2.093 1.00 0.00 C ATOM 574 C VAL B 18 4.563 -8.982 -1.772 1.00 0.00 C ATOM 575 O VAL B 18 4.764 -9.853 -0.948 1.00 0.00 O ATOM 576 CB VAL B 18 5.316 -6.627 -1.342 1.00 0.00 C ATOM 577 CG1 VAL B 18 5.957 -5.458 -2.076 1.00 0.00 C ATOM 578 CG2 VAL B 18 3.804 -6.388 -1.264 1.00 0.00 C ATOM 0 H VAL B 18 4.851 -7.123 -3.913 1.00 0.00 H new ATOM 0 HA VAL B 18 6.600 -8.295 -1.778 1.00 0.00 H new ATOM 0 HB VAL B 18 5.717 -6.709 -0.332 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.741 -4.532 -1.544 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.036 -5.606 -2.123 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.554 -5.398 -3.087 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.610 -5.459 -0.728 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.394 -6.318 -2.272 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.331 -7.217 -0.737 1.00 0.00 H new ATOM 588 N CYS B 19 3.431 -8.902 -2.414 1.00 0.00 N ATOM 589 CA CYS B 19 2.356 -9.889 -2.144 1.00 0.00 C ATOM 590 C CYS B 19 2.271 -10.890 -3.297 1.00 0.00 C ATOM 591 O CYS B 19 2.007 -12.058 -3.098 1.00 0.00 O ATOM 592 CB CYS B 19 1.020 -9.159 -2.010 1.00 0.00 C ATOM 593 SG CYS B 19 0.701 -8.797 -0.267 1.00 0.00 S ATOM 0 H CYS B 19 3.206 -8.195 -3.114 1.00 0.00 H new ATOM 0 HA CYS B 19 2.580 -10.421 -1.219 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.040 -8.234 -2.587 1.00 0.00 H new ATOM 0 HB3 CYS B 19 0.216 -9.772 -2.418 1.00 0.00 H new ATOM 598 N GLY B 20 2.481 -10.440 -4.503 1.00 0.00 N ATOM 599 CA GLY B 20 2.401 -11.369 -5.667 1.00 0.00 C ATOM 600 C GLY B 20 0.951 -11.821 -5.842 1.00 0.00 C ATOM 601 O GLY B 20 0.056 -11.014 -6.000 1.00 0.00 O ATOM 0 H GLY B 20 2.704 -9.472 -4.733 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.752 -10.872 -6.571 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.048 -12.231 -5.506 1.00 0.00 H new ATOM 605 N GLU B 21 0.706 -13.102 -5.806 1.00 0.00 N ATOM 606 CA GLU B 21 -0.692 -13.593 -5.961 1.00 0.00 C ATOM 607 C GLU B 21 -1.429 -13.444 -4.628 1.00 0.00 C ATOM 608 O GLU B 21 -2.598 -13.755 -4.515 1.00 0.00 O ATOM 609 CB GLU B 21 -0.676 -15.067 -6.371 1.00 0.00 C ATOM 610 CG GLU B 21 0.055 -15.886 -5.306 1.00 0.00 C ATOM 611 CD GLU B 21 1.209 -16.653 -5.955 1.00 0.00 C ATOM 612 OE1 GLU B 21 2.254 -16.055 -6.151 1.00 0.00 O ATOM 613 OE2 GLU B 21 1.027 -17.824 -6.243 1.00 0.00 O ATOM 0 H GLU B 21 1.411 -13.828 -5.676 1.00 0.00 H new ATOM 0 HA GLU B 21 -1.200 -13.010 -6.729 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -1.696 -15.433 -6.490 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -0.182 -15.182 -7.336 1.00 0.00 H new ATOM 0 HG2 GLU B 21 0.435 -15.229 -4.524 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -0.636 -16.582 -4.829 1.00 0.00 H new ATOM 620 N ARG B 22 -0.755 -12.970 -3.614 1.00 0.00 N ATOM 621 CA ARG B 22 -1.413 -12.801 -2.290 1.00 0.00 C ATOM 622 C ARG B 22 -2.615 -11.865 -2.432 1.00 0.00 C ATOM 623 O ARG B 22 -3.506 -11.854 -1.606 1.00 0.00 O ATOM 624 CB ARG B 22 -0.413 -12.203 -1.299 1.00 0.00 C ATOM 625 CG ARG B 22 0.342 -13.329 -0.590 1.00 0.00 C ATOM 626 CD ARG B 22 -0.631 -14.134 0.273 1.00 0.00 C ATOM 627 NE ARG B 22 -0.218 -14.044 1.703 1.00 0.00 N ATOM 628 CZ ARG B 22 -1.009 -14.493 2.639 1.00 0.00 C ATOM 629 NH1 ARG B 22 -2.299 -14.328 2.538 1.00 0.00 N ATOM 630 NH2 ARG B 22 -0.507 -15.105 3.678 1.00 0.00 N ATOM 0 H ARG B 22 0.226 -12.692 -3.648 1.00 0.00 H new ATOM 0 HA ARG B 22 -1.751 -13.771 -1.925 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.289 -11.554 -1.822 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.935 -11.585 -0.568 1.00 0.00 H new ATOM 0 HG2 ARG B 22 0.818 -13.980 -1.324 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.136 -12.914 0.030 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -1.644 -13.751 0.151 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -0.643 -15.175 -0.048 1.00 0.00 H new ATOM 0 HE ARG B 22 0.682 -13.632 1.949 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -2.690 -13.848 1.727 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -2.917 -14.679 3.270 1.00 0.00 H new ATOM 0 HH21 ARG B 22 0.502 -15.231 3.757 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -1.124 -15.456 4.410 1.00 0.00 H new ATOM 644 N GLY B 23 -2.645 -11.084 -3.474 1.00 0.00 N ATOM 645 CA GLY B 23 -3.790 -10.151 -3.674 1.00 0.00 C ATOM 646 C GLY B 23 -3.565 -8.876 -2.859 1.00 0.00 C ATOM 647 O GLY B 23 -3.641 -8.881 -1.645 1.00 0.00 O ATOM 0 H GLY B 23 -1.926 -11.050 -4.197 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -3.891 -9.905 -4.731 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -4.720 -10.630 -3.368 1.00 0.00 H new ATOM 651 N PHE B 24 -3.294 -7.780 -3.515 1.00 0.00 N ATOM 652 CA PHE B 24 -3.072 -6.506 -2.777 1.00 0.00 C ATOM 653 C PHE B 24 -4.063 -5.455 -3.274 1.00 0.00 C ATOM 654 O PHE B 24 -4.215 -5.242 -4.460 1.00 0.00 O ATOM 655 CB PHE B 24 -1.641 -6.019 -3.011 1.00 0.00 C ATOM 656 CG PHE B 24 -1.371 -5.948 -4.494 1.00 0.00 C ATOM 657 CD1 PHE B 24 -1.005 -7.105 -5.194 1.00 0.00 C ATOM 658 CD2 PHE B 24 -1.484 -4.726 -5.169 1.00 0.00 C ATOM 659 CE1 PHE B 24 -0.753 -7.041 -6.570 1.00 0.00 C ATOM 660 CE2 PHE B 24 -1.229 -4.661 -6.545 1.00 0.00 C ATOM 661 CZ PHE B 24 -0.863 -5.817 -7.246 1.00 0.00 C ATOM 0 H PHE B 24 -3.217 -7.713 -4.530 1.00 0.00 H new ATOM 0 HA PHE B 24 -3.223 -6.671 -1.710 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.500 -5.038 -2.557 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.932 -6.696 -2.533 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -0.917 -8.047 -4.672 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -1.767 -3.835 -4.629 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -0.474 -7.934 -7.110 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -1.315 -3.719 -7.066 1.00 0.00 H new ATOM 0 HZ PHE B 24 -0.666 -5.766 -8.307 1.00 0.00 H new ATOM 671 N PHE B 25 -4.749 -4.803 -2.376 1.00 0.00 N ATOM 672 CA PHE B 25 -5.741 -3.775 -2.797 1.00 0.00 C ATOM 673 C PHE B 25 -5.148 -2.371 -2.646 1.00 0.00 C ATOM 674 O PHE B 25 -4.470 -2.072 -1.682 1.00 0.00 O ATOM 675 CB PHE B 25 -6.992 -3.899 -1.927 1.00 0.00 C ATOM 676 CG PHE B 25 -6.607 -3.769 -0.473 1.00 0.00 C ATOM 677 CD1 PHE B 25 -6.355 -2.504 0.072 1.00 0.00 C ATOM 678 CD2 PHE B 25 -6.502 -4.913 0.333 1.00 0.00 C ATOM 679 CE1 PHE B 25 -5.998 -2.379 1.419 1.00 0.00 C ATOM 680 CE2 PHE B 25 -6.145 -4.787 1.682 1.00 0.00 C ATOM 681 CZ PHE B 25 -5.892 -3.520 2.225 1.00 0.00 C ATOM 0 H PHE B 25 -4.665 -4.938 -1.368 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.000 -3.935 -3.844 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -7.712 -3.126 -2.194 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.476 -4.860 -2.102 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -6.436 -1.624 -0.548 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -6.696 -5.889 -0.086 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -5.804 -1.403 1.838 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -6.065 -5.667 2.304 1.00 0.00 H new ATOM 0 HZ PHE B 25 -5.615 -3.423 3.264 1.00 0.00 H new ATOM 691 N TYR B 26 -5.410 -1.502 -3.587 1.00 0.00 N ATOM 692 CA TYR B 26 -4.877 -0.112 -3.499 1.00 0.00 C ATOM 693 C TYR B 26 -5.993 0.869 -3.890 1.00 0.00 C ATOM 694 O TYR B 26 -5.825 1.722 -4.738 1.00 0.00 O ATOM 695 CB TYR B 26 -3.672 0.032 -4.445 1.00 0.00 C ATOM 696 CG TYR B 26 -4.147 0.263 -5.861 1.00 0.00 C ATOM 697 CD1 TYR B 26 -4.902 -0.716 -6.519 1.00 0.00 C ATOM 698 CD2 TYR B 26 -3.849 1.469 -6.505 1.00 0.00 C ATOM 699 CE1 TYR B 26 -5.355 -0.489 -7.824 1.00 0.00 C ATOM 700 CE2 TYR B 26 -4.304 1.699 -7.808 1.00 0.00 C ATOM 701 CZ TYR B 26 -5.057 0.718 -8.470 1.00 0.00 C ATOM 702 OH TYR B 26 -5.505 0.946 -9.755 1.00 0.00 O ATOM 0 H TYR B 26 -5.972 -1.697 -4.415 1.00 0.00 H new ATOM 0 HA TYR B 26 -4.548 0.107 -2.483 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -3.045 0.864 -4.123 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -3.057 -0.867 -4.402 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -5.135 -1.645 -6.020 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -3.267 2.223 -5.996 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -5.935 -1.245 -8.333 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -4.076 2.631 -8.304 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.211 1.832 -10.052 1.00 0.00 H new ATOM 712 N THR B 27 -7.142 0.732 -3.281 1.00 0.00 N ATOM 713 CA THR B 27 -8.296 1.617 -3.606 1.00 0.00 C ATOM 714 C THR B 27 -7.832 3.034 -3.963 1.00 0.00 C ATOM 715 O THR B 27 -6.778 3.482 -3.557 1.00 0.00 O ATOM 716 CB THR B 27 -9.232 1.679 -2.401 1.00 0.00 C ATOM 717 OG1 THR B 27 -8.634 2.462 -1.377 1.00 0.00 O ATOM 718 CG2 THR B 27 -9.492 0.267 -1.881 1.00 0.00 C ATOM 0 H THR B 27 -7.330 0.034 -2.562 1.00 0.00 H new ATOM 0 HA THR B 27 -8.814 1.203 -4.471 1.00 0.00 H new ATOM 0 HB THR B 27 -10.177 2.133 -2.699 1.00 0.00 H new ATOM 0 HG1 THR B 27 -9.235 2.504 -0.604 1.00 0.00 H new ATOM 0 HG21 THR B 27 -10.160 0.313 -1.021 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.953 -0.331 -2.667 1.00 0.00 H new ATOM 0 HG23 THR B 27 -8.549 -0.191 -1.583 1.00 0.00 H new ATOM 726 N LYS B 28 -8.630 3.738 -4.722 1.00 0.00 N ATOM 727 CA LYS B 28 -8.270 5.129 -5.124 1.00 0.00 C ATOM 728 C LYS B 28 -8.201 6.019 -3.878 1.00 0.00 C ATOM 729 O LYS B 28 -8.728 5.668 -2.842 1.00 0.00 O ATOM 730 CB LYS B 28 -9.342 5.664 -6.080 1.00 0.00 C ATOM 731 CG LYS B 28 -9.516 4.694 -7.252 1.00 0.00 C ATOM 732 CD LYS B 28 -10.878 4.005 -7.147 1.00 0.00 C ATOM 733 CE LYS B 28 -11.955 4.905 -7.757 1.00 0.00 C ATOM 734 NZ LYS B 28 -11.908 4.798 -9.243 1.00 0.00 N ATOM 0 H LYS B 28 -9.524 3.405 -5.084 1.00 0.00 H new ATOM 0 HA LYS B 28 -7.300 5.132 -5.621 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -10.288 5.785 -5.551 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -9.055 6.649 -6.449 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -9.441 5.232 -8.197 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -8.719 3.951 -7.244 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -10.853 3.047 -7.666 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -11.112 3.796 -6.103 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -12.939 4.612 -7.391 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -11.796 5.939 -7.451 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -12.780 5.196 -9.647 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -11.087 5.326 -9.603 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -11.824 3.798 -9.517 1.00 0.00 H new ATOM 748 N PRO B 29 -7.552 7.148 -4.018 1.00 0.00 N ATOM 749 CA PRO B 29 -7.394 8.113 -2.915 1.00 0.00 C ATOM 750 C PRO B 29 -8.687 8.907 -2.708 1.00 0.00 C ATOM 751 O PRO B 29 -9.219 9.498 -3.627 1.00 0.00 O ATOM 752 CB PRO B 29 -6.261 9.026 -3.395 1.00 0.00 C ATOM 753 CG PRO B 29 -6.224 8.901 -4.935 1.00 0.00 C ATOM 754 CD PRO B 29 -6.915 7.569 -5.285 1.00 0.00 C ATOM 0 HA PRO B 29 -7.175 7.638 -1.959 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -6.439 10.058 -3.093 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -5.309 8.726 -2.958 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -6.739 9.739 -5.404 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -5.197 8.912 -5.300 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -7.652 7.699 -6.078 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -6.197 6.828 -5.636 1.00 0.00 H new ATOM 762 N THR B 30 -9.196 8.925 -1.506 1.00 0.00 N ATOM 763 CA THR B 30 -10.453 9.678 -1.238 1.00 0.00 C ATOM 764 C THR B 30 -10.182 10.770 -0.202 1.00 0.00 C ATOM 765 O THR B 30 -9.182 10.668 0.489 1.00 0.00 O ATOM 766 CB THR B 30 -11.519 8.719 -0.703 1.00 0.00 C ATOM 767 OG1 THR B 30 -10.912 7.480 -0.364 1.00 0.00 O ATOM 768 CG2 THR B 30 -12.588 8.492 -1.771 1.00 0.00 C ATOM 769 OXT THR B 30 -10.980 11.689 -0.115 1.00 0.00 O ATOM 0 H THR B 30 -8.795 8.450 -0.698 1.00 0.00 H new ATOM 0 HA THR B 30 -10.807 10.134 -2.162 1.00 0.00 H new ATOM 0 HB THR B 30 -11.983 9.150 0.184 1.00 0.00 H new ATOM 0 HG1 THR B 30 -11.593 6.865 -0.020 1.00 0.00 H new ATOM 0 HG21 THR B 30 -13.346 7.809 -1.388 1.00 0.00 H new ATOM 0 HG22 THR B 30 -13.054 9.444 -2.028 1.00 0.00 H new ATOM 0 HG23 THR B 30 -12.128 8.062 -2.660 1.00 0.00 H new TER 777 THR B 30