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= 0.00814 USER MOD Set 1.2: A 15 GLN : amide:sc= 0.343 K(o=0.35,f=-6.3!) 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 X(o=0,f=0.29) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0927 K(o=-0.093,f=-0.63) USER MOD Single : B 1 PHE N :NH3+ -141:sc= -1.32 (180deg=-3.37!) USER MOD Single : B 3 ASN : amide:sc= -4.81! C(o=-4.8!,f=-7.4!) USER MOD Single : B 4 GLN : amide:sc= -0.0481 X(o=-0.048,f=-0.048) USER MOD Single : B 5 HIS : no HE2:sc= -9.35! C(o=-9.4!,f=-11!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0256 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 139:sc= -1.9! USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.565 7.055 1.966 1.00 0.00 N ATOM 2 CA GLY A 1 -4.719 7.926 1.037 1.00 0.00 C ATOM 3 C GLY A 1 -3.310 7.533 0.737 1.00 0.00 C ATOM 4 O GLY A 1 -2.374 8.205 1.121 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.513 7.472 2.065 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.647 6.099 1.566 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.111 7.001 2.900 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.247 7.997 0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.694 8.929 1.463 1.00 0.00 H new ATOM 10 N ILE A 2 -3.118 6.445 0.041 1.00 0.00 N ATOM 11 CA ILE A 2 -1.734 6.011 -0.295 1.00 0.00 C ATOM 12 C ILE A 2 -1.469 6.326 -1.765 1.00 0.00 C ATOM 13 O ILE A 2 -0.349 6.558 -2.175 1.00 0.00 O ATOM 14 CB ILE A 2 -1.597 4.510 -0.049 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.175 4.056 -0.432 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.650 3.764 -0.874 1.00 0.00 C ATOM 17 CD1 ILE A 2 -0.141 3.523 -1.870 1.00 0.00 C ATOM 0 H ILE A 2 -3.860 5.839 -0.309 1.00 0.00 H new ATOM 0 HA ILE A 2 -1.012 6.537 0.330 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.759 4.286 1.005 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.517 4.892 -0.333 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.161 3.280 0.256 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.555 2.692 -0.701 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.646 4.093 -0.576 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.500 3.975 -1.933 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.873 3.209 -2.118 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.817 2.672 -1.959 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.455 4.309 -2.557 1.00 0.00 H new ATOM 29 N VAL A 3 -2.503 6.350 -2.558 1.00 0.00 N ATOM 30 CA VAL A 3 -2.338 6.663 -4.002 1.00 0.00 C ATOM 31 C VAL A 3 -1.562 7.977 -4.143 1.00 0.00 C ATOM 32 O VAL A 3 -0.803 8.166 -5.074 1.00 0.00 O ATOM 33 CB VAL A 3 -3.731 6.798 -4.635 1.00 0.00 C ATOM 34 CG1 VAL A 3 -3.667 7.667 -5.894 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.253 5.408 -5.004 1.00 0.00 C ATOM 0 H VAL A 3 -3.462 6.165 -2.264 1.00 0.00 H new ATOM 0 HA VAL A 3 -1.786 5.870 -4.506 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.401 7.271 -3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.663 7.751 -6.329 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.300 8.659 -5.633 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.993 7.210 -6.618 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.242 5.498 -5.454 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.572 4.941 -5.715 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.318 4.793 -4.106 1.00 0.00 H new ATOM 45 N GLU A 4 -1.753 8.890 -3.229 1.00 0.00 N ATOM 46 CA GLU A 4 -1.034 10.193 -3.311 1.00 0.00 C ATOM 47 C GLU A 4 0.175 10.170 -2.373 1.00 0.00 C ATOM 48 O GLU A 4 1.234 10.671 -2.695 1.00 0.00 O ATOM 49 CB GLU A 4 -1.983 11.321 -2.901 1.00 0.00 C ATOM 50 CG GLU A 4 -1.191 12.616 -2.711 1.00 0.00 C ATOM 51 CD GLU A 4 -2.162 13.784 -2.517 1.00 0.00 C ATOM 52 OE1 GLU A 4 -2.566 14.012 -1.389 1.00 0.00 O ATOM 53 OE2 GLU A 4 -2.487 14.429 -3.501 1.00 0.00 O ATOM 0 H GLU A 4 -2.377 8.789 -2.428 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.693 10.359 -4.333 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.749 11.460 -3.664 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.497 11.059 -1.977 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.533 12.529 -1.847 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.556 12.797 -3.578 1.00 0.00 H new ATOM 60 N GLN A 5 0.026 9.592 -1.212 1.00 0.00 N ATOM 61 CA GLN A 5 1.167 9.538 -0.253 1.00 0.00 C ATOM 62 C GLN A 5 2.278 8.654 -0.825 1.00 0.00 C ATOM 63 O GLN A 5 3.445 8.982 -0.747 1.00 0.00 O ATOM 64 CB GLN A 5 0.687 8.958 1.079 1.00 0.00 C ATOM 65 CG GLN A 5 0.667 10.061 2.139 1.00 0.00 C ATOM 66 CD GLN A 5 1.255 9.528 3.447 1.00 0.00 C ATOM 67 OE1 GLN A 5 2.449 9.593 3.662 1.00 0.00 O ATOM 68 NE2 GLN A 5 0.461 8.998 4.336 1.00 0.00 N ATOM 0 H GLN A 5 -0.836 9.155 -0.886 1.00 0.00 H new ATOM 0 HA GLN A 5 1.553 10.545 -0.093 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.310 8.532 0.964 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.346 8.149 1.394 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.241 10.921 1.794 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.355 10.405 2.301 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.542 8.943 4.156 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.843 8.639 5.211 1.00 0.00 H new ATOM 77 N CYS A 6 1.927 7.538 -1.401 1.00 0.00 N ATOM 78 CA CYS A 6 2.967 6.640 -1.978 1.00 0.00 C ATOM 79 C CYS A 6 3.387 7.167 -3.348 1.00 0.00 C ATOM 80 O CYS A 6 4.482 6.917 -3.810 1.00 0.00 O ATOM 81 CB CYS A 6 2.396 5.233 -2.138 1.00 0.00 C ATOM 82 SG CYS A 6 2.893 4.211 -0.730 1.00 0.00 S ATOM 0 H CYS A 6 0.966 7.209 -1.497 1.00 0.00 H new ATOM 0 HA CYS A 6 3.830 6.612 -1.312 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.309 5.276 -2.203 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.753 4.788 -3.067 1.00 0.00 H new ATOM 87 N CYS A 7 2.525 7.889 -4.007 1.00 0.00 N ATOM 88 CA CYS A 7 2.888 8.421 -5.346 1.00 0.00 C ATOM 89 C CYS A 7 3.634 9.746 -5.173 1.00 0.00 C ATOM 90 O CYS A 7 4.505 10.087 -5.948 1.00 0.00 O ATOM 91 CB CYS A 7 1.615 8.640 -6.172 1.00 0.00 C ATOM 92 SG CYS A 7 2.034 8.990 -7.905 1.00 0.00 S ATOM 0 H CYS A 7 1.591 8.132 -3.678 1.00 0.00 H new ATOM 0 HA CYS A 7 3.530 7.710 -5.866 1.00 0.00 H new ATOM 0 HB2 CYS A 7 0.981 7.755 -6.116 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.042 9.469 -5.756 1.00 0.00 H new ATOM 97 N THR A 8 3.306 10.492 -4.154 1.00 0.00 N ATOM 98 CA THR A 8 4.004 11.788 -3.923 1.00 0.00 C ATOM 99 C THR A 8 4.994 11.625 -2.768 1.00 0.00 C ATOM 100 O THR A 8 6.014 12.281 -2.712 1.00 0.00 O ATOM 101 CB THR A 8 2.974 12.866 -3.571 1.00 0.00 C ATOM 102 OG1 THR A 8 2.241 13.222 -4.735 1.00 0.00 O ATOM 103 CG2 THR A 8 3.692 14.100 -3.023 1.00 0.00 C ATOM 0 H THR A 8 2.585 10.260 -3.471 1.00 0.00 H new ATOM 0 HA THR A 8 4.540 12.084 -4.824 1.00 0.00 H new ATOM 0 HB THR A 8 2.290 12.479 -2.816 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.581 13.910 -4.508 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.959 14.867 -2.773 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.252 13.828 -2.128 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.378 14.486 -3.777 1.00 0.00 H new ATOM 111 N SER A 9 4.700 10.746 -1.848 1.00 0.00 N ATOM 112 CA SER A 9 5.619 10.528 -0.696 1.00 0.00 C ATOM 113 C SER A 9 6.211 9.118 -0.787 1.00 0.00 C ATOM 114 O SER A 9 5.582 8.202 -1.276 1.00 0.00 O ATOM 115 CB SER A 9 4.836 10.669 0.610 1.00 0.00 C ATOM 116 OG SER A 9 5.338 11.778 1.343 1.00 0.00 O ATOM 0 H SER A 9 3.860 10.168 -1.846 1.00 0.00 H new ATOM 0 HA SER A 9 6.422 11.265 -0.719 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.776 10.809 0.398 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.926 9.758 1.201 1.00 0.00 H new ATOM 0 HG SER A 9 4.836 11.871 2.180 1.00 0.00 H new ATOM 122 N ILE A 10 7.416 8.936 -0.323 1.00 0.00 N ATOM 123 CA ILE A 10 8.040 7.585 -0.391 1.00 0.00 C ATOM 124 C ILE A 10 7.455 6.692 0.703 1.00 0.00 C ATOM 125 O ILE A 10 7.170 7.144 1.795 1.00 0.00 O ATOM 126 CB ILE A 10 9.547 7.714 -0.189 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.127 8.547 -1.349 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.164 6.311 -0.144 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.444 7.950 -1.861 1.00 0.00 C ATOM 0 H ILE A 10 7.994 9.662 0.099 1.00 0.00 H new ATOM 0 HA ILE A 10 7.837 7.141 -1.366 1.00 0.00 H new ATOM 0 HB ILE A 10 9.776 8.218 0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.405 8.592 -2.164 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.295 9.571 -1.015 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.241 6.392 0.000 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.729 5.748 0.682 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.961 5.794 -1.082 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.827 8.561 -2.679 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.173 7.929 -1.051 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.269 6.935 -2.218 1.00 0.00 H new ATOM 141 N CYS A 11 7.278 5.428 0.429 1.00 0.00 N ATOM 142 CA CYS A 11 6.715 4.522 1.474 1.00 0.00 C ATOM 143 C CYS A 11 7.595 3.278 1.609 1.00 0.00 C ATOM 144 O CYS A 11 8.185 2.813 0.654 1.00 0.00 O ATOM 145 CB CYS A 11 5.277 4.100 1.122 1.00 0.00 C ATOM 146 SG CYS A 11 4.898 4.446 -0.617 1.00 0.00 S ATOM 0 H CYS A 11 7.496 4.985 -0.464 1.00 0.00 H new ATOM 0 HA CYS A 11 6.695 5.063 2.420 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.149 3.036 1.320 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.573 4.630 1.763 1.00 0.00 H new ATOM 151 N SER A 12 7.693 2.740 2.797 1.00 0.00 N ATOM 152 CA SER A 12 8.538 1.531 3.003 1.00 0.00 C ATOM 153 C SER A 12 7.655 0.281 3.048 1.00 0.00 C ATOM 154 O SER A 12 6.473 0.356 3.327 1.00 0.00 O ATOM 155 CB SER A 12 9.303 1.661 4.321 1.00 0.00 C ATOM 156 OG SER A 12 8.399 2.024 5.356 1.00 0.00 O ATOM 0 H SER A 12 7.223 3.088 3.633 1.00 0.00 H new ATOM 0 HA SER A 12 9.244 1.443 2.177 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.793 0.718 4.565 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.087 2.413 4.227 1.00 0.00 H new ATOM 0 HG SER A 12 8.887 2.106 6.202 1.00 0.00 H new ATOM 162 N LEU A 13 8.227 -0.861 2.766 1.00 0.00 N ATOM 163 CA LEU A 13 7.451 -2.133 2.780 1.00 0.00 C ATOM 164 C LEU A 13 6.390 -2.104 3.876 1.00 0.00 C ATOM 165 O LEU A 13 5.266 -2.521 3.675 1.00 0.00 O ATOM 166 CB LEU A 13 8.394 -3.307 3.030 1.00 0.00 C ATOM 167 CG LEU A 13 7.584 -4.600 3.104 1.00 0.00 C ATOM 168 CD1 LEU A 13 6.777 -4.774 1.816 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.538 -5.780 3.271 1.00 0.00 C ATOM 0 H LEU A 13 9.212 -0.965 2.524 1.00 0.00 H new ATOM 0 HA LEU A 13 6.960 -2.248 1.813 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.132 -3.372 2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.944 -3.155 3.959 1.00 0.00 H new ATOM 0 HG LEU A 13 6.902 -4.556 3.953 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.200 -5.697 1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.100 -3.929 1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.456 -4.820 0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.965 -6.706 3.324 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.217 -5.822 2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.113 -5.656 4.188 1.00 0.00 H new ATOM 181 N TYR A 14 6.733 -1.618 5.031 1.00 0.00 N ATOM 182 CA TYR A 14 5.740 -1.567 6.136 1.00 0.00 C ATOM 183 C TYR A 14 4.405 -1.053 5.595 1.00 0.00 C ATOM 184 O TYR A 14 3.406 -1.743 5.625 1.00 0.00 O ATOM 185 CB TYR A 14 6.241 -0.631 7.236 1.00 0.00 C ATOM 186 CG TYR A 14 6.643 -1.448 8.440 1.00 0.00 C ATOM 187 CD1 TYR A 14 5.658 -2.036 9.244 1.00 0.00 C ATOM 188 CD2 TYR A 14 7.998 -1.622 8.750 1.00 0.00 C ATOM 189 CE1 TYR A 14 6.029 -2.798 10.361 1.00 0.00 C ATOM 190 CE2 TYR A 14 8.368 -2.384 9.866 1.00 0.00 C ATOM 191 CZ TYR A 14 7.384 -2.972 10.672 1.00 0.00 C ATOM 192 OH TYR A 14 7.749 -3.725 11.769 1.00 0.00 O ATOM 0 H TYR A 14 7.658 -1.253 5.259 1.00 0.00 H new ATOM 0 HA TYR A 14 5.606 -2.567 6.549 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.090 -0.050 6.876 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.461 0.080 7.508 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.614 -1.902 9.004 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.757 -1.169 8.129 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.270 -3.251 10.982 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.413 -2.518 10.105 1.00 0.00 H new ATOM 0 HH TYR A 14 8.726 -3.746 11.841 1.00 0.00 H new ATOM 202 N GLN A 15 4.382 0.150 5.088 1.00 0.00 N ATOM 203 CA GLN A 15 3.113 0.700 4.542 1.00 0.00 C ATOM 204 C GLN A 15 2.566 -0.263 3.495 1.00 0.00 C ATOM 205 O GLN A 15 1.395 -0.585 3.482 1.00 0.00 O ATOM 206 CB GLN A 15 3.381 2.061 3.897 1.00 0.00 C ATOM 207 CG GLN A 15 3.308 3.156 4.963 1.00 0.00 C ATOM 208 CD GLN A 15 4.721 3.504 5.434 1.00 0.00 C ATOM 209 OE1 GLN A 15 5.691 3.168 4.785 1.00 0.00 O ATOM 210 NE2 GLN A 15 4.881 4.165 6.549 1.00 0.00 N ATOM 0 H GLN A 15 5.187 0.773 5.029 1.00 0.00 H new ATOM 0 HA GLN A 15 2.387 0.822 5.346 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.363 2.064 3.425 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.649 2.254 3.112 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.820 4.042 4.557 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.705 2.818 5.806 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.067 4.448 7.095 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.819 4.398 6.873 1.00 0.00 H new ATOM 219 N LEU A 16 3.410 -0.733 2.620 1.00 0.00 N ATOM 220 CA LEU A 16 2.940 -1.685 1.575 1.00 0.00 C ATOM 221 C LEU A 16 2.224 -2.854 2.249 1.00 0.00 C ATOM 222 O LEU A 16 1.102 -3.185 1.923 1.00 0.00 O ATOM 223 CB LEU A 16 4.132 -2.215 0.792 1.00 0.00 C ATOM 224 CG LEU A 16 4.675 -1.108 -0.106 1.00 0.00 C ATOM 225 CD1 LEU A 16 6.097 -0.765 0.307 1.00 0.00 C ATOM 226 CD2 LEU A 16 4.682 -1.589 -1.550 1.00 0.00 C ATOM 0 H LEU A 16 4.402 -0.500 2.583 1.00 0.00 H new ATOM 0 HA LEU A 16 2.259 -1.172 0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.908 -2.558 1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.834 -3.074 0.191 1.00 0.00 H new ATOM 0 HG LEU A 16 4.043 -0.225 -0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.482 0.026 -0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.103 -0.426 1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.727 -1.649 0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.070 -0.800 -2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.315 -2.472 -1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.666 -1.840 -1.855 1.00 0.00 H new ATOM 238 N GLU A 17 2.874 -3.480 3.192 1.00 0.00 N ATOM 239 CA GLU A 17 2.249 -4.636 3.897 1.00 0.00 C ATOM 240 C GLU A 17 0.890 -4.229 4.480 1.00 0.00 C ATOM 241 O GLU A 17 0.090 -5.068 4.843 1.00 0.00 O ATOM 242 CB GLU A 17 3.167 -5.096 5.031 1.00 0.00 C ATOM 243 CG GLU A 17 4.141 -6.152 4.506 1.00 0.00 C ATOM 244 CD GLU A 17 5.110 -6.550 5.621 1.00 0.00 C ATOM 245 OE1 GLU A 17 5.553 -5.667 6.338 1.00 0.00 O ATOM 246 OE2 GLU A 17 5.392 -7.731 5.740 1.00 0.00 O ATOM 0 H GLU A 17 3.814 -3.240 3.506 1.00 0.00 H new ATOM 0 HA GLU A 17 2.103 -5.448 3.185 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.718 -4.246 5.434 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.574 -5.507 5.848 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.592 -7.027 4.157 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.693 -5.760 3.652 1.00 0.00 H new ATOM 253 N ASN A 18 0.623 -2.956 4.582 1.00 0.00 N ATOM 254 CA ASN A 18 -0.684 -2.518 5.150 1.00 0.00 C ATOM 255 C ASN A 18 -1.689 -2.283 4.021 1.00 0.00 C ATOM 256 O ASN A 18 -2.705 -1.644 4.208 1.00 0.00 O ATOM 257 CB ASN A 18 -0.490 -1.221 5.936 1.00 0.00 C ATOM 258 CG ASN A 18 -1.334 -1.267 7.211 1.00 0.00 C ATOM 259 OD1 ASN A 18 -2.547 -1.247 7.152 1.00 0.00 O ATOM 260 ND2 ASN A 18 -0.738 -1.331 8.370 1.00 0.00 N ATOM 0 H ASN A 18 1.250 -2.203 4.298 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.064 -3.295 5.814 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.562 -1.090 6.188 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.780 -0.366 5.325 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.291 -1.364 9.227 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.281 -1.348 8.419 1.00 0.00 H new ATOM 267 N TYR A 19 -1.420 -2.794 2.852 1.00 0.00 N ATOM 268 CA TYR A 19 -2.366 -2.598 1.719 1.00 0.00 C ATOM 269 C TYR A 19 -2.463 -3.889 0.905 1.00 0.00 C ATOM 270 O TYR A 19 -2.537 -3.865 -0.308 1.00 0.00 O ATOM 271 CB TYR A 19 -1.864 -1.466 0.821 1.00 0.00 C ATOM 272 CG TYR A 19 -1.805 -0.182 1.613 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.989 0.481 1.968 1.00 0.00 C ATOM 274 CD2 TYR A 19 -0.565 0.346 1.993 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.929 1.673 2.703 1.00 0.00 C ATOM 276 CE2 TYR A 19 -0.505 1.537 2.727 1.00 0.00 C ATOM 277 CZ TYR A 19 -1.687 2.202 3.083 1.00 0.00 C ATOM 278 OH TYR A 19 -1.628 3.376 3.805 1.00 0.00 O ATOM 0 H TYR A 19 -0.586 -3.339 2.632 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.350 -2.340 2.111 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.876 -1.709 0.429 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.527 -1.347 -0.036 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.945 0.074 1.675 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.346 -0.166 1.720 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.840 2.184 2.977 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.452 1.944 3.019 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.692 3.602 3.987 1.00 0.00 H new ATOM 288 N CYS A 20 -2.459 -5.018 1.560 1.00 0.00 N ATOM 289 CA CYS A 20 -2.550 -6.309 0.821 1.00 0.00 C ATOM 290 C CYS A 20 -3.061 -7.401 1.763 1.00 0.00 C ATOM 291 O CYS A 20 -2.975 -7.284 2.969 1.00 0.00 O ATOM 292 CB CYS A 20 -1.166 -6.694 0.295 1.00 0.00 C ATOM 293 SG CYS A 20 -1.229 -8.366 -0.396 1.00 0.00 S ATOM 0 H CYS A 20 -2.397 -5.102 2.575 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.239 -6.201 -0.017 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.845 -5.985 -0.468 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.433 -6.649 1.101 1.00 0.00 H new ATOM 298 N ASN A 21 -3.594 -8.465 1.223 1.00 0.00 N ATOM 299 CA ASN A 21 -4.110 -9.561 2.093 1.00 0.00 C ATOM 300 C ASN A 21 -2.944 -10.443 2.546 1.00 0.00 C ATOM 301 O ASN A 21 -1.886 -10.347 1.945 1.00 0.00 O ATOM 302 CB ASN A 21 -5.112 -10.411 1.309 1.00 0.00 C ATOM 303 CG ASN A 21 -6.516 -10.210 1.885 1.00 0.00 C ATOM 304 OD1 ASN A 21 -6.865 -9.125 2.305 1.00 0.00 O ATOM 305 ND2 ASN A 21 -7.341 -11.220 1.926 1.00 0.00 N ATOM 306 OXT ASN A 21 -3.128 -11.199 3.485 1.00 0.00 O ATOM 0 H ASN A 21 -3.694 -8.622 0.220 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.603 -9.129 2.964 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.096 -10.131 0.256 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.833 -11.463 1.363 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.278 -11.098 2.310 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.049 -12.132 1.574 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 12.337 0.294 -4.071 1.00 0.00 N ATOM 315 CA PHE B 1 11.695 -0.979 -3.637 1.00 0.00 C ATOM 316 C PHE B 1 11.568 -0.992 -2.113 1.00 0.00 C ATOM 317 O PHE B 1 10.533 -1.320 -1.569 1.00 0.00 O ATOM 318 CB PHE B 1 12.552 -2.162 -4.090 1.00 0.00 C ATOM 319 CG PHE B 1 12.003 -3.442 -3.504 1.00 0.00 C ATOM 320 CD1 PHE B 1 10.626 -3.705 -3.554 1.00 0.00 C ATOM 321 CD2 PHE B 1 12.870 -4.369 -2.911 1.00 0.00 C ATOM 322 CE1 PHE B 1 10.119 -4.894 -3.013 1.00 0.00 C ATOM 323 CE2 PHE B 1 12.363 -5.557 -2.370 1.00 0.00 C ATOM 324 CZ PHE B 1 10.988 -5.820 -2.420 1.00 0.00 C ATOM 0 H1 PHE B 1 11.882 0.633 -4.943 1.00 0.00 H new ATOM 0 H2 PHE B 1 12.229 1.009 -3.324 1.00 0.00 H new ATOM 0 H3 PHE B 1 13.348 0.130 -4.249 1.00 0.00 H new ATOM 0 HA PHE B 1 10.704 -1.058 -4.084 1.00 0.00 H new ATOM 0 HB2 PHE B 1 12.559 -2.223 -5.178 1.00 0.00 H new ATOM 0 HB3 PHE B 1 13.585 -2.018 -3.772 1.00 0.00 H new ATOM 0 HD1 PHE B 1 9.956 -2.991 -4.010 1.00 0.00 H new ATOM 0 HD2 PHE B 1 13.930 -4.167 -2.871 1.00 0.00 H new ATOM 0 HE1 PHE B 1 9.059 -5.097 -3.053 1.00 0.00 H new ATOM 0 HE2 PHE B 1 13.033 -6.271 -1.914 1.00 0.00 H new ATOM 0 HZ PHE B 1 10.598 -6.736 -2.002 1.00 0.00 H new ATOM 336 N VAL B 2 12.613 -0.633 -1.419 1.00 0.00 N ATOM 337 CA VAL B 2 12.547 -0.620 0.068 1.00 0.00 C ATOM 338 C VAL B 2 12.021 0.735 0.535 1.00 0.00 C ATOM 339 O VAL B 2 11.387 0.847 1.565 1.00 0.00 O ATOM 340 CB VAL B 2 13.945 -0.858 0.646 1.00 0.00 C ATOM 341 CG1 VAL B 2 13.833 -1.172 2.139 1.00 0.00 C ATOM 342 CG2 VAL B 2 14.598 -2.040 -0.073 1.00 0.00 C ATOM 0 H VAL B 2 13.508 -0.349 -1.817 1.00 0.00 H new ATOM 0 HA VAL B 2 11.879 -1.409 0.412 1.00 0.00 H new ATOM 0 HB VAL B 2 14.553 0.036 0.506 1.00 0.00 H new ATOM 0 HG11 VAL B 2 14.828 -1.341 2.551 1.00 0.00 H new ATOM 0 HG12 VAL B 2 13.366 -0.332 2.653 1.00 0.00 H new ATOM 0 HG13 VAL B 2 13.226 -2.066 2.278 1.00 0.00 H new ATOM 0 HG21 VAL B 2 15.593 -2.211 0.337 1.00 0.00 H new ATOM 0 HG22 VAL B 2 13.989 -2.933 0.068 1.00 0.00 H new ATOM 0 HG23 VAL B 2 14.677 -1.820 -1.138 1.00 0.00 H new ATOM 352 N ASN B 3 12.273 1.767 -0.222 1.00 0.00 N ATOM 353 CA ASN B 3 11.786 3.119 0.172 1.00 0.00 C ATOM 354 C ASN B 3 11.722 4.009 -1.072 1.00 0.00 C ATOM 355 O ASN B 3 12.229 5.113 -1.082 1.00 0.00 O ATOM 356 CB ASN B 3 12.746 3.749 1.190 1.00 0.00 C ATOM 357 CG ASN B 3 13.651 2.680 1.810 1.00 0.00 C ATOM 358 OD1 ASN B 3 13.205 1.871 2.599 1.00 0.00 O ATOM 359 ND2 ASN B 3 14.914 2.644 1.484 1.00 0.00 N ATOM 0 H ASN B 3 12.796 1.732 -1.097 1.00 0.00 H new ATOM 0 HA ASN B 3 10.797 3.027 0.621 1.00 0.00 H new ATOM 0 HB2 ASN B 3 13.355 4.510 0.702 1.00 0.00 H new ATOM 0 HB3 ASN B 3 12.177 4.250 1.973 1.00 0.00 H new ATOM 0 HD21 ASN B 3 15.526 1.937 1.892 1.00 0.00 H new ATOM 0 HD22 ASN B 3 15.289 3.323 0.822 1.00 0.00 H new ATOM 366 N GLN B 4 11.117 3.534 -2.127 1.00 0.00 N ATOM 367 CA GLN B 4 11.038 4.354 -3.370 1.00 0.00 C ATOM 368 C GLN B 4 9.657 5.005 -3.492 1.00 0.00 C ATOM 369 O GLN B 4 8.891 5.065 -2.543 1.00 0.00 O ATOM 370 CB GLN B 4 11.278 3.453 -4.585 1.00 0.00 C ATOM 371 CG GLN B 4 12.610 3.822 -5.241 1.00 0.00 C ATOM 372 CD GLN B 4 12.376 4.895 -6.306 1.00 0.00 C ATOM 373 OE1 GLN B 4 11.907 4.603 -7.388 1.00 0.00 O ATOM 374 NE2 GLN B 4 12.686 6.135 -6.043 1.00 0.00 N ATOM 0 H GLN B 4 10.675 2.616 -2.182 1.00 0.00 H new ATOM 0 HA GLN B 4 11.796 5.136 -3.327 1.00 0.00 H new ATOM 0 HB2 GLN B 4 11.289 2.407 -4.278 1.00 0.00 H new ATOM 0 HB3 GLN B 4 10.464 3.567 -5.301 1.00 0.00 H new ATOM 0 HG2 GLN B 4 13.309 4.188 -4.489 1.00 0.00 H new ATOM 0 HG3 GLN B 4 13.062 2.939 -5.693 1.00 0.00 H new ATOM 0 HE21 GLN B 4 13.080 6.381 -5.135 1.00 0.00 H new ATOM 0 HE22 GLN B 4 12.534 6.859 -6.746 1.00 0.00 H new ATOM 383 N HIS B 5 9.336 5.486 -4.666 1.00 0.00 N ATOM 384 CA HIS B 5 8.011 6.131 -4.887 1.00 0.00 C ATOM 385 C HIS B 5 7.088 5.140 -5.598 1.00 0.00 C ATOM 386 O HIS B 5 7.400 4.641 -6.661 1.00 0.00 O ATOM 387 CB HIS B 5 8.184 7.369 -5.773 1.00 0.00 C ATOM 388 CG HIS B 5 8.834 8.476 -4.991 1.00 0.00 C ATOM 389 ND1 HIS B 5 8.196 9.682 -4.790 1.00 0.00 N ATOM 390 CD2 HIS B 5 10.057 8.554 -4.383 1.00 0.00 C ATOM 391 CE1 HIS B 5 9.035 10.447 -4.079 1.00 0.00 C ATOM 392 NE2 HIS B 5 10.186 9.800 -3.805 1.00 0.00 N ATOM 0 H HIS B 5 9.942 5.458 -5.486 1.00 0.00 H new ATOM 0 HA HIS B 5 7.584 6.423 -3.928 1.00 0.00 H new ATOM 0 HB2 HIS B 5 8.793 7.121 -6.643 1.00 0.00 H new ATOM 0 HB3 HIS B 5 7.214 7.698 -6.146 1.00 0.00 H new ATOM 0 HD1 HIS B 5 7.266 9.941 -5.119 1.00 0.00 H new ATOM 0 HD2 HIS B 5 10.799 7.770 -4.359 1.00 0.00 H new ATOM 0 HE1 HIS B 5 8.817 11.457 -3.764 1.00 0.00 H new ATOM 400 N LEU B 6 5.953 4.854 -5.026 1.00 0.00 N ATOM 401 CA LEU B 6 5.013 3.897 -5.677 1.00 0.00 C ATOM 402 C LEU B 6 3.949 4.686 -6.450 1.00 0.00 C ATOM 403 O LEU B 6 2.870 4.941 -5.952 1.00 0.00 O ATOM 404 CB LEU B 6 4.348 3.034 -4.602 1.00 0.00 C ATOM 405 CG LEU B 6 5.343 2.768 -3.472 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.713 1.815 -2.453 1.00 0.00 C ATOM 407 CD2 LEU B 6 6.608 2.130 -4.048 1.00 0.00 C ATOM 0 H LEU B 6 5.635 5.240 -4.137 1.00 0.00 H new ATOM 0 HA LEU B 6 5.555 3.252 -6.368 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.464 3.538 -4.211 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.012 2.091 -5.034 1.00 0.00 H new ATOM 0 HG LEU B 6 5.598 3.708 -2.983 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.421 1.624 -1.647 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.809 2.266 -2.043 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.459 0.875 -2.943 1.00 0.00 H new ATOM 0 HD21 LEU B 6 7.318 1.940 -3.243 1.00 0.00 H new ATOM 0 HD22 LEU B 6 6.352 1.189 -4.536 1.00 0.00 H new ATOM 0 HD23 LEU B 6 7.057 2.805 -4.776 1.00 0.00 H new ATOM 419 N CYS B 7 4.251 5.085 -7.660 1.00 0.00 N ATOM 420 CA CYS B 7 3.261 5.871 -8.459 1.00 0.00 C ATOM 421 C CYS B 7 2.601 4.983 -9.518 1.00 0.00 C ATOM 422 O CYS B 7 3.265 4.293 -10.265 1.00 0.00 O ATOM 423 CB CYS B 7 3.977 7.027 -9.165 1.00 0.00 C ATOM 424 SG CYS B 7 3.985 8.493 -8.104 1.00 0.00 S ATOM 0 H CYS B 7 5.138 4.901 -8.129 1.00 0.00 H new ATOM 0 HA CYS B 7 2.497 6.255 -7.783 1.00 0.00 H new ATOM 0 HB2 CYS B 7 5.000 6.738 -9.407 1.00 0.00 H new ATOM 0 HB3 CYS B 7 3.478 7.253 -10.107 1.00 0.00 H new ATOM 429 N GLY B 8 1.294 5.022 -9.594 1.00 0.00 N ATOM 430 CA GLY B 8 0.550 4.211 -10.609 1.00 0.00 C ATOM 431 C GLY B 8 1.254 2.875 -10.866 1.00 0.00 C ATOM 432 O GLY B 8 1.395 2.056 -9.982 1.00 0.00 O ATOM 0 H GLY B 8 0.702 5.589 -8.987 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -0.467 4.029 -10.261 1.00 0.00 H new ATOM 0 HA3 GLY B 8 0.472 4.771 -11.541 1.00 0.00 H new ATOM 436 N SER B 9 1.686 2.653 -12.082 1.00 0.00 N ATOM 437 CA SER B 9 2.374 1.372 -12.422 1.00 0.00 C ATOM 438 C SER B 9 3.286 0.954 -11.268 1.00 0.00 C ATOM 439 O SER B 9 3.087 -0.073 -10.649 1.00 0.00 O ATOM 440 CB SER B 9 3.212 1.566 -13.687 1.00 0.00 C ATOM 441 OG SER B 9 3.563 2.938 -13.809 1.00 0.00 O ATOM 0 H SER B 9 1.591 3.309 -12.858 1.00 0.00 H new ATOM 0 HA SER B 9 1.628 0.596 -12.592 1.00 0.00 H new ATOM 0 HB2 SER B 9 4.111 0.951 -13.640 1.00 0.00 H new ATOM 0 HB3 SER B 9 2.650 1.243 -14.563 1.00 0.00 H new ATOM 0 HG SER B 9 4.102 3.067 -14.617 1.00 0.00 H new ATOM 447 N ASP B 10 4.278 1.745 -10.966 1.00 0.00 N ATOM 448 CA ASP B 10 5.188 1.392 -9.844 1.00 0.00 C ATOM 449 C ASP B 10 4.337 1.005 -8.638 1.00 0.00 C ATOM 450 O ASP B 10 4.618 0.053 -7.939 1.00 0.00 O ATOM 451 CB ASP B 10 6.047 2.606 -9.485 1.00 0.00 C ATOM 452 CG ASP B 10 6.874 3.028 -10.702 1.00 0.00 C ATOM 453 OD1 ASP B 10 7.404 2.152 -11.366 1.00 0.00 O ATOM 454 OD2 ASP B 10 6.965 4.219 -10.947 1.00 0.00 O ATOM 0 H ASP B 10 4.496 2.618 -11.447 1.00 0.00 H new ATOM 0 HA ASP B 10 5.836 0.564 -10.132 1.00 0.00 H new ATOM 0 HB2 ASP B 10 5.412 3.430 -9.161 1.00 0.00 H new ATOM 0 HB3 ASP B 10 6.706 2.364 -8.651 1.00 0.00 H new ATOM 459 N LEU B 11 3.292 1.744 -8.400 1.00 0.00 N ATOM 460 CA LEU B 11 2.403 1.434 -7.251 1.00 0.00 C ATOM 461 C LEU B 11 2.137 -0.065 -7.229 1.00 0.00 C ATOM 462 O LEU B 11 2.503 -0.761 -6.303 1.00 0.00 O ATOM 463 CB LEU B 11 1.083 2.188 -7.433 1.00 0.00 C ATOM 464 CG LEU B 11 0.283 2.322 -6.116 1.00 0.00 C ATOM 465 CD1 LEU B 11 1.156 2.087 -4.878 1.00 0.00 C ATOM 466 CD2 LEU B 11 -0.295 3.733 -6.044 1.00 0.00 C ATOM 0 H LEU B 11 3.015 2.553 -8.955 1.00 0.00 H new ATOM 0 HA LEU B 11 2.871 1.736 -6.314 1.00 0.00 H new ATOM 0 HB2 LEU B 11 1.289 3.182 -7.830 1.00 0.00 H new ATOM 0 HB3 LEU B 11 0.473 1.670 -8.172 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.501 1.564 -6.120 1.00 0.00 H new ATOM 0 HD11 LEU B 11 0.549 2.192 -3.979 1.00 0.00 H new ATOM 0 HD12 LEU B 11 1.578 1.083 -4.916 1.00 0.00 H new ATOM 0 HD13 LEU B 11 1.963 2.819 -4.858 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.863 3.847 -5.121 1.00 0.00 H new ATOM 0 HD22 LEU B 11 0.517 4.460 -6.062 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.952 3.901 -6.897 1.00 0.00 H new ATOM 478 N ALA B 12 1.512 -0.572 -8.254 1.00 0.00 N ATOM 479 CA ALA B 12 1.238 -2.029 -8.300 1.00 0.00 C ATOM 480 C ALA B 12 2.570 -2.769 -8.384 1.00 0.00 C ATOM 481 O ALA B 12 2.839 -3.664 -7.614 1.00 0.00 O ATOM 482 CB ALA B 12 0.394 -2.360 -9.532 1.00 0.00 C ATOM 0 H ALA B 12 1.181 -0.040 -9.059 1.00 0.00 H new ATOM 0 HA ALA B 12 0.693 -2.332 -7.406 1.00 0.00 H new ATOM 0 HB1 ALA B 12 0.196 -3.432 -9.560 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -0.550 -1.818 -9.483 1.00 0.00 H new ATOM 0 HB3 ALA B 12 0.934 -2.067 -10.432 1.00 0.00 H new ATOM 488 N GLU B 13 3.416 -2.392 -9.307 1.00 0.00 N ATOM 489 CA GLU B 13 4.733 -3.073 -9.427 1.00 0.00 C ATOM 490 C GLU B 13 5.341 -3.231 -8.034 1.00 0.00 C ATOM 491 O GLU B 13 5.981 -4.220 -7.736 1.00 0.00 O ATOM 492 CB GLU B 13 5.668 -2.236 -10.305 1.00 0.00 C ATOM 493 CG GLU B 13 6.687 -3.154 -10.986 1.00 0.00 C ATOM 494 CD GLU B 13 6.868 -2.725 -12.443 1.00 0.00 C ATOM 495 OE1 GLU B 13 6.783 -1.536 -12.705 1.00 0.00 O ATOM 496 OE2 GLU B 13 7.090 -3.593 -13.272 1.00 0.00 O ATOM 0 H GLU B 13 3.250 -1.644 -9.980 1.00 0.00 H new ATOM 0 HA GLU B 13 4.599 -4.054 -9.883 1.00 0.00 H new ATOM 0 HB2 GLU B 13 5.092 -1.695 -11.055 1.00 0.00 H new ATOM 0 HB3 GLU B 13 6.182 -1.490 -9.699 1.00 0.00 H new ATOM 0 HG2 GLU B 13 7.641 -3.108 -10.461 1.00 0.00 H new ATOM 0 HG3 GLU B 13 6.348 -4.189 -10.940 1.00 0.00 H new ATOM 503 N ALA B 14 5.141 -2.269 -7.172 1.00 0.00 N ATOM 504 CA ALA B 14 5.705 -2.384 -5.797 1.00 0.00 C ATOM 505 C ALA B 14 4.926 -3.448 -5.028 1.00 0.00 C ATOM 506 O ALA B 14 5.495 -4.383 -4.501 1.00 0.00 O ATOM 507 CB ALA B 14 5.588 -1.040 -5.076 1.00 0.00 C ATOM 0 H ALA B 14 4.615 -1.415 -7.359 1.00 0.00 H new ATOM 0 HA ALA B 14 6.756 -2.666 -5.854 1.00 0.00 H new ATOM 0 HB1 ALA B 14 6.001 -1.129 -4.071 1.00 0.00 H new ATOM 0 HB2 ALA B 14 6.140 -0.281 -5.630 1.00 0.00 H new ATOM 0 HB3 ALA B 14 4.539 -0.751 -5.012 1.00 0.00 H new ATOM 513 N LEU B 15 3.627 -3.328 -4.966 1.00 0.00 N ATOM 514 CA LEU B 15 2.836 -4.357 -4.238 1.00 0.00 C ATOM 515 C LEU B 15 2.974 -5.684 -4.987 1.00 0.00 C ATOM 516 O LEU B 15 2.853 -6.752 -4.423 1.00 0.00 O ATOM 517 CB LEU B 15 1.359 -3.950 -4.200 1.00 0.00 C ATOM 518 CG LEU B 15 1.180 -2.742 -3.282 1.00 0.00 C ATOM 519 CD1 LEU B 15 -0.190 -2.110 -3.531 1.00 0.00 C ATOM 520 CD2 LEU B 15 1.269 -3.195 -1.826 1.00 0.00 C ATOM 0 H LEU B 15 3.086 -2.571 -5.383 1.00 0.00 H new ATOM 0 HA LEU B 15 3.202 -4.453 -3.216 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.012 -3.709 -5.205 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.752 -4.782 -3.844 1.00 0.00 H new ATOM 0 HG LEU B 15 1.962 -2.011 -3.488 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -0.318 -1.248 -2.876 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.259 -1.789 -4.570 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.971 -2.842 -3.324 1.00 0.00 H new ATOM 0 HD21 LEU B 15 1.142 -2.335 -1.169 1.00 0.00 H new ATOM 0 HD22 LEU B 15 0.486 -3.925 -1.624 1.00 0.00 H new ATOM 0 HD23 LEU B 15 2.243 -3.649 -1.645 1.00 0.00 H new ATOM 532 N TYR B 16 3.230 -5.608 -6.266 1.00 0.00 N ATOM 533 CA TYR B 16 3.386 -6.837 -7.093 1.00 0.00 C ATOM 534 C TYR B 16 4.662 -7.563 -6.686 1.00 0.00 C ATOM 535 O TYR B 16 4.847 -8.730 -6.972 1.00 0.00 O ATOM 536 CB TYR B 16 3.509 -6.435 -8.565 1.00 0.00 C ATOM 537 CG TYR B 16 2.592 -7.280 -9.408 1.00 0.00 C ATOM 538 CD1 TYR B 16 2.977 -8.574 -9.781 1.00 0.00 C ATOM 539 CD2 TYR B 16 1.360 -6.767 -9.821 1.00 0.00 C ATOM 540 CE1 TYR B 16 2.123 -9.356 -10.568 1.00 0.00 C ATOM 541 CE2 TYR B 16 0.504 -7.547 -10.609 1.00 0.00 C ATOM 542 CZ TYR B 16 0.885 -8.843 -10.983 1.00 0.00 C ATOM 543 OH TYR B 16 0.044 -9.615 -11.759 1.00 0.00 O ATOM 0 H TYR B 16 3.339 -4.733 -6.779 1.00 0.00 H new ATOM 0 HA TYR B 16 2.523 -7.486 -6.945 1.00 0.00 H new ATOM 0 HB2 TYR B 16 3.258 -5.381 -8.685 1.00 0.00 H new ATOM 0 HB3 TYR B 16 4.539 -6.557 -8.899 1.00 0.00 H new ATOM 0 HD1 TYR B 16 3.931 -8.968 -9.462 1.00 0.00 H new ATOM 0 HD2 TYR B 16 1.067 -5.768 -9.533 1.00 0.00 H new ATOM 0 HE1 TYR B 16 2.417 -10.354 -10.856 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -0.448 -7.150 -10.928 1.00 0.00 H new ATOM 0 HH TYR B 16 -0.772 -9.111 -11.958 1.00 0.00 H new ATOM 553 N LEU B 17 5.560 -6.872 -6.053 1.00 0.00 N ATOM 554 CA LEU B 17 6.835 -7.495 -5.660 1.00 0.00 C ATOM 555 C LEU B 17 6.837 -7.777 -4.151 1.00 0.00 C ATOM 556 O LEU B 17 7.751 -8.376 -3.623 1.00 0.00 O ATOM 557 CB LEU B 17 7.944 -6.525 -6.038 1.00 0.00 C ATOM 558 CG LEU B 17 9.304 -7.107 -5.690 1.00 0.00 C ATOM 559 CD1 LEU B 17 9.332 -8.621 -5.949 1.00 0.00 C ATOM 560 CD2 LEU B 17 10.349 -6.438 -6.571 1.00 0.00 C ATOM 0 H LEU B 17 5.459 -5.892 -5.791 1.00 0.00 H new ATOM 0 HA LEU B 17 6.982 -8.448 -6.168 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.897 -6.308 -7.105 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.802 -5.580 -5.514 1.00 0.00 H new ATOM 0 HG LEU B 17 9.509 -6.931 -4.634 1.00 0.00 H new ATOM 0 HD11 LEU B 17 10.315 -9.016 -5.693 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.574 -9.109 -5.336 1.00 0.00 H new ATOM 0 HD13 LEU B 17 9.127 -8.814 -7.002 1.00 0.00 H new ATOM 0 HD21 LEU B 17 11.334 -6.842 -6.337 1.00 0.00 H new ATOM 0 HD22 LEU B 17 10.118 -6.629 -7.619 1.00 0.00 H new ATOM 0 HD23 LEU B 17 10.345 -5.363 -6.389 1.00 0.00 H new ATOM 572 N VAL B 18 5.816 -7.362 -3.450 1.00 0.00 N ATOM 573 CA VAL B 18 5.769 -7.625 -1.983 1.00 0.00 C ATOM 574 C VAL B 18 4.761 -8.741 -1.698 1.00 0.00 C ATOM 575 O VAL B 18 5.010 -9.634 -0.913 1.00 0.00 O ATOM 576 CB VAL B 18 5.371 -6.343 -1.240 1.00 0.00 C ATOM 577 CG1 VAL B 18 5.955 -5.143 -1.974 1.00 0.00 C ATOM 578 CG2 VAL B 18 3.846 -6.196 -1.187 1.00 0.00 C ATOM 0 H VAL B 18 5.016 -6.855 -3.828 1.00 0.00 H new ATOM 0 HA VAL B 18 6.753 -7.939 -1.635 1.00 0.00 H new ATOM 0 HB VAL B 18 5.756 -6.396 -0.222 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.677 -4.227 -1.453 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.041 -5.228 -2.004 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.565 -5.114 -2.992 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.587 -5.280 -0.656 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.449 -6.152 -2.201 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.416 -7.052 -0.666 1.00 0.00 H new ATOM 588 N CYS B 19 3.622 -8.695 -2.332 1.00 0.00 N ATOM 589 CA CYS B 19 2.597 -9.749 -2.101 1.00 0.00 C ATOM 590 C CYS B 19 2.620 -10.748 -3.262 1.00 0.00 C ATOM 591 O CYS B 19 2.599 -11.948 -3.064 1.00 0.00 O ATOM 592 CB CYS B 19 1.214 -9.102 -2.016 1.00 0.00 C ATOM 593 SG CYS B 19 0.679 -9.026 -0.289 1.00 0.00 S ATOM 0 H CYS B 19 3.357 -7.972 -3.001 1.00 0.00 H new ATOM 0 HA CYS B 19 2.815 -10.270 -1.169 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.245 -8.099 -2.441 1.00 0.00 H new ATOM 0 HB3 CYS B 19 0.497 -9.676 -2.604 1.00 0.00 H new ATOM 598 N GLY B 20 2.663 -10.261 -4.473 1.00 0.00 N ATOM 599 CA GLY B 20 2.689 -11.175 -5.651 1.00 0.00 C ATOM 600 C GLY B 20 1.389 -11.978 -5.709 1.00 0.00 C ATOM 601 O GLY B 20 0.387 -11.521 -6.220 1.00 0.00 O ATOM 0 H GLY B 20 2.681 -9.266 -4.698 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.813 -10.599 -6.568 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.542 -11.850 -5.581 1.00 0.00 H new ATOM 605 N GLU B 21 1.397 -13.174 -5.190 1.00 0.00 N ATOM 606 CA GLU B 21 0.161 -14.006 -5.219 1.00 0.00 C ATOM 607 C GLU B 21 -0.674 -13.714 -3.972 1.00 0.00 C ATOM 608 O GLU B 21 -1.842 -14.042 -3.902 1.00 0.00 O ATOM 609 CB GLU B 21 0.544 -15.487 -5.246 1.00 0.00 C ATOM 610 CG GLU B 21 1.458 -15.801 -4.059 1.00 0.00 C ATOM 611 CD GLU B 21 2.911 -15.847 -4.531 1.00 0.00 C ATOM 612 OE1 GLU B 21 3.200 -16.628 -5.421 1.00 0.00 O ATOM 613 OE2 GLU B 21 3.713 -15.099 -3.993 1.00 0.00 O ATOM 0 H GLU B 21 2.205 -13.611 -4.747 1.00 0.00 H new ATOM 0 HA GLU B 21 -0.420 -13.768 -6.110 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -0.352 -16.106 -5.202 1.00 0.00 H new ATOM 0 HB3 GLU B 21 1.050 -15.725 -6.181 1.00 0.00 H new ATOM 0 HG2 GLU B 21 1.340 -15.042 -3.285 1.00 0.00 H new ATOM 0 HG3 GLU B 21 1.179 -16.756 -3.614 1.00 0.00 H new ATOM 620 N ARG B 22 -0.084 -13.094 -2.986 1.00 0.00 N ATOM 621 CA ARG B 22 -0.842 -12.778 -1.745 1.00 0.00 C ATOM 622 C ARG B 22 -2.118 -12.025 -2.115 1.00 0.00 C ATOM 623 O ARG B 22 -3.080 -12.003 -1.374 1.00 0.00 O ATOM 624 CB ARG B 22 0.025 -11.911 -0.829 1.00 0.00 C ATOM 625 CG ARG B 22 0.835 -12.813 0.106 1.00 0.00 C ATOM 626 CD ARG B 22 -0.118 -13.623 0.985 1.00 0.00 C ATOM 627 NE ARG B 22 0.505 -13.846 2.320 1.00 0.00 N ATOM 628 CZ ARG B 22 0.051 -14.785 3.103 1.00 0.00 C ATOM 629 NH1 ARG B 22 -1.088 -14.624 3.718 1.00 0.00 N ATOM 630 NH2 ARG B 22 0.733 -15.885 3.267 1.00 0.00 N ATOM 0 H ARG B 22 0.891 -12.793 -2.988 1.00 0.00 H new ATOM 0 HA ARG B 22 -1.103 -13.700 -1.225 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.695 -11.290 -1.424 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.603 -11.236 -0.248 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.468 -13.483 -0.476 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.496 -12.210 0.728 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -1.064 -13.094 1.097 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -0.342 -14.579 0.512 1.00 0.00 H new ATOM 0 HE ARG B 22 1.287 -13.264 2.622 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -1.622 -13.765 3.586 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -1.445 -15.357 4.331 1.00 0.00 H new ATOM 0 HH21 ARG B 22 1.622 -16.011 2.783 1.00 0.00 H new ATOM 0 HH22 ARG B 22 0.377 -16.619 3.880 1.00 0.00 H new ATOM 644 N GLY B 23 -2.132 -11.415 -3.266 1.00 0.00 N ATOM 645 CA GLY B 23 -3.344 -10.668 -3.703 1.00 0.00 C ATOM 646 C GLY B 23 -3.424 -9.331 -2.966 1.00 0.00 C ATOM 647 O GLY B 23 -4.118 -9.196 -1.977 1.00 0.00 O ATOM 0 H GLY B 23 -1.354 -11.401 -3.925 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -3.309 -10.499 -4.779 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -4.238 -11.258 -3.502 1.00 0.00 H new ATOM 651 N PHE B 24 -2.728 -8.338 -3.445 1.00 0.00 N ATOM 652 CA PHE B 24 -2.777 -7.009 -2.776 1.00 0.00 C ATOM 653 C PHE B 24 -3.880 -6.175 -3.418 1.00 0.00 C ATOM 654 O PHE B 24 -4.112 -6.246 -4.609 1.00 0.00 O ATOM 655 CB PHE B 24 -1.434 -6.299 -2.938 1.00 0.00 C ATOM 656 CG PHE B 24 -1.140 -6.117 -4.406 1.00 0.00 C ATOM 657 CD1 PHE B 24 -1.572 -4.961 -5.069 1.00 0.00 C ATOM 658 CD2 PHE B 24 -0.435 -7.104 -5.104 1.00 0.00 C ATOM 659 CE1 PHE B 24 -1.297 -4.792 -6.432 1.00 0.00 C ATOM 660 CE2 PHE B 24 -0.160 -6.936 -6.467 1.00 0.00 C ATOM 661 CZ PHE B 24 -0.591 -5.781 -7.132 1.00 0.00 C ATOM 0 H PHE B 24 -2.129 -8.389 -4.269 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.982 -7.139 -1.713 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.459 -5.331 -2.438 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.643 -6.881 -2.466 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -2.117 -4.200 -4.529 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -0.103 -7.995 -4.592 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -1.629 -3.900 -6.944 1.00 0.00 H new ATOM 0 HE2 PHE B 24 0.385 -7.697 -7.006 1.00 0.00 H new ATOM 0 HZ PHE B 24 -0.380 -5.652 -8.183 1.00 0.00 H new ATOM 671 N PHE B 25 -4.578 -5.398 -2.640 1.00 0.00 N ATOM 672 CA PHE B 25 -5.678 -4.580 -3.215 1.00 0.00 C ATOM 673 C PHE B 25 -5.230 -3.131 -3.420 1.00 0.00 C ATOM 674 O PHE B 25 -4.976 -2.407 -2.478 1.00 0.00 O ATOM 675 CB PHE B 25 -6.886 -4.612 -2.277 1.00 0.00 C ATOM 676 CG PHE B 25 -6.495 -4.071 -0.924 1.00 0.00 C ATOM 677 CD1 PHE B 25 -5.910 -4.918 0.026 1.00 0.00 C ATOM 678 CD2 PHE B 25 -6.720 -2.722 -0.616 1.00 0.00 C ATOM 679 CE1 PHE B 25 -5.550 -4.417 1.284 1.00 0.00 C ATOM 680 CE2 PHE B 25 -6.360 -2.221 0.642 1.00 0.00 C ATOM 681 CZ PHE B 25 -5.774 -3.069 1.592 1.00 0.00 C ATOM 0 H PHE B 25 -4.435 -5.294 -1.635 1.00 0.00 H new ATOM 0 HA PHE B 25 -5.950 -5.000 -4.183 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -7.699 -4.019 -2.695 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.255 -5.633 -2.178 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -5.736 -5.957 -0.211 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.171 -2.069 -1.348 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -5.100 -5.070 2.017 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -6.534 -1.182 0.880 1.00 0.00 H new ATOM 0 HZ PHE B 25 -5.495 -2.683 2.561 1.00 0.00 H new ATOM 691 N TYR B 26 -5.158 -2.698 -4.649 1.00 0.00 N ATOM 692 CA TYR B 26 -4.762 -1.291 -4.928 1.00 0.00 C ATOM 693 C TYR B 26 -5.996 -0.549 -5.461 1.00 0.00 C ATOM 694 O TYR B 26 -6.449 -0.797 -6.560 1.00 0.00 O ATOM 695 CB TYR B 26 -3.633 -1.264 -5.972 1.00 0.00 C ATOM 696 CG TYR B 26 -3.663 0.059 -6.700 1.00 0.00 C ATOM 697 CD1 TYR B 26 -3.630 1.249 -5.967 1.00 0.00 C ATOM 698 CD2 TYR B 26 -3.762 0.094 -8.096 1.00 0.00 C ATOM 699 CE1 TYR B 26 -3.690 2.480 -6.627 1.00 0.00 C ATOM 700 CE2 TYR B 26 -3.828 1.325 -8.759 1.00 0.00 C ATOM 701 CZ TYR B 26 -3.791 2.519 -8.025 1.00 0.00 C ATOM 702 OH TYR B 26 -3.857 3.732 -8.678 1.00 0.00 O ATOM 0 H TYR B 26 -5.358 -3.262 -5.475 1.00 0.00 H new ATOM 0 HA TYR B 26 -4.398 -0.810 -4.020 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -2.668 -1.403 -5.485 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -3.755 -2.085 -6.679 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -3.558 1.217 -4.890 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -3.787 -0.827 -8.660 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -3.659 3.399 -6.061 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -3.907 1.355 -9.836 1.00 0.00 H new ATOM 0 HH TYR B 26 -3.306 3.698 -9.488 1.00 0.00 H new ATOM 712 N THR B 27 -6.556 0.341 -4.687 1.00 0.00 N ATOM 713 CA THR B 27 -7.766 1.069 -5.146 1.00 0.00 C ATOM 714 C THR B 27 -7.403 2.204 -6.104 1.00 0.00 C ATOM 715 O THR B 27 -6.304 2.723 -6.098 1.00 0.00 O ATOM 716 CB THR B 27 -8.483 1.650 -3.928 1.00 0.00 C ATOM 717 OG1 THR B 27 -7.692 2.687 -3.366 1.00 0.00 O ATOM 718 CG2 THR B 27 -8.702 0.554 -2.884 1.00 0.00 C ATOM 0 H THR B 27 -6.225 0.593 -3.756 1.00 0.00 H new ATOM 0 HA THR B 27 -8.411 0.369 -5.677 1.00 0.00 H new ATOM 0 HB THR B 27 -9.449 2.051 -4.236 1.00 0.00 H new ATOM 0 HG1 THR B 27 -8.151 3.062 -2.586 1.00 0.00 H new ATOM 0 HG21 THR B 27 -9.213 0.974 -2.018 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.310 -0.242 -3.314 1.00 0.00 H new ATOM 0 HG23 THR B 27 -7.739 0.148 -2.575 1.00 0.00 H new ATOM 726 N LYS B 28 -8.344 2.592 -6.921 1.00 0.00 N ATOM 727 CA LYS B 28 -8.114 3.698 -7.891 1.00 0.00 C ATOM 728 C LYS B 28 -9.475 4.163 -8.419 1.00 0.00 C ATOM 729 O LYS B 28 -9.914 3.727 -9.464 1.00 0.00 O ATOM 730 CB LYS B 28 -7.252 3.190 -9.053 1.00 0.00 C ATOM 731 CG LYS B 28 -7.348 4.161 -10.237 1.00 0.00 C ATOM 732 CD LYS B 28 -5.949 4.655 -10.609 1.00 0.00 C ATOM 733 CE LYS B 28 -5.694 6.008 -9.944 1.00 0.00 C ATOM 734 NZ LYS B 28 -5.552 7.060 -10.991 1.00 0.00 N ATOM 0 H LYS B 28 -9.277 2.182 -6.957 1.00 0.00 H new ATOM 0 HA LYS B 28 -7.597 4.526 -7.406 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -6.214 3.094 -8.733 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -7.585 2.198 -9.357 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -7.809 3.665 -11.091 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -7.986 5.006 -9.977 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -5.199 3.932 -10.288 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -5.860 4.747 -11.691 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -6.517 6.256 -9.274 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -4.791 5.961 -9.336 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -5.379 7.980 -10.538 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -4.753 6.825 -11.613 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -6.425 7.110 -11.553 1.00 0.00 H new ATOM 748 N PRO B 29 -10.110 5.027 -7.667 1.00 0.00 N ATOM 749 CA PRO B 29 -11.438 5.562 -8.019 1.00 0.00 C ATOM 750 C PRO B 29 -11.331 6.619 -9.120 1.00 0.00 C ATOM 751 O PRO B 29 -10.536 7.536 -9.043 1.00 0.00 O ATOM 752 CB PRO B 29 -11.934 6.181 -6.711 1.00 0.00 C ATOM 753 CG PRO B 29 -10.677 6.468 -5.858 1.00 0.00 C ATOM 754 CD PRO B 29 -9.562 5.552 -6.399 1.00 0.00 C ATOM 0 HA PRO B 29 -12.111 4.799 -8.409 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -12.491 7.098 -6.902 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -12.609 5.501 -6.191 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -10.388 7.516 -5.933 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -10.869 6.265 -4.804 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -8.637 6.105 -6.563 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -9.333 4.747 -5.700 1.00 0.00 H new ATOM 762 N THR B 30 -12.131 6.497 -10.144 1.00 0.00 N ATOM 763 CA THR B 30 -12.087 7.492 -11.252 1.00 0.00 C ATOM 764 C THR B 30 -13.096 8.607 -10.975 1.00 0.00 C ATOM 765 O THR B 30 -13.667 9.113 -11.927 1.00 0.00 O ATOM 766 CB THR B 30 -12.439 6.803 -12.573 1.00 0.00 C ATOM 767 OG1 THR B 30 -12.137 5.420 -12.479 1.00 0.00 O ATOM 768 CG2 THR B 30 -11.629 7.429 -13.709 1.00 0.00 C ATOM 769 OXT THR B 30 -13.284 8.933 -9.815 1.00 0.00 O ATOM 0 H THR B 30 -12.815 5.749 -10.261 1.00 0.00 H new ATOM 0 HA THR B 30 -11.085 7.916 -11.320 1.00 0.00 H new ATOM 0 HB THR B 30 -13.502 6.929 -12.777 1.00 0.00 H new ATOM 0 HG1 THR B 30 -12.364 4.978 -13.324 1.00 0.00 H new ATOM 0 HG21 THR B 30 -11.880 6.938 -14.649 1.00 0.00 H new ATOM 0 HG22 THR B 30 -11.863 8.491 -13.781 1.00 0.00 H new ATOM 0 HG23 THR B 30 -10.565 7.305 -13.508 1.00 0.00 H new TER 777 THR B 30