USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 381 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.394 K(o=-0.39,f=-3.9!) USER MOD Single : A 8 THR OG1 : rot 42:sc= 1.04 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0871 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= -3.14! C(o=-3.1!,f=-3.3!) USER MOD Single : A 19 TYR OH : rot 165:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.718 X(o=-0.72,f=-0.71) USER MOD Single : B 1 PHE N :NH3+ 134:sc= 0.0886 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -1.2 X(o=-1.2,f=-0.86) USER MOD Single : B 4 GLN : amide:sc= -4.79! C(o=-4.8!,f=-7.9!) USER MOD Single : B 5 HIS : no HE2:sc= -11.8! C(o=-12!,f=-12!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -1.05 K(o=-1,f=-2.8!) USER MOD Single : B 16 TYR OH : rot -29:sc= 0.0153 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 28 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.112 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.334 7.941 7.129 1.00 0.00 N ATOM 2 CA GLY A 1 1.199 6.574 7.709 1.00 0.00 C ATOM 3 C GLY A 1 2.462 5.764 7.411 1.00 0.00 C ATOM 4 O GLY A 1 3.547 6.302 7.315 1.00 0.00 O ATOM 0 H1 GLY A 1 0.475 8.491 7.332 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.157 8.417 7.550 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.464 7.870 6.100 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.042 6.639 8.786 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.326 6.074 7.289 1.00 0.00 H new ATOM 10 N ILE A 2 2.330 4.475 7.264 1.00 0.00 N ATOM 11 CA ILE A 2 3.524 3.632 6.972 1.00 0.00 C ATOM 12 C ILE A 2 4.186 4.117 5.681 1.00 0.00 C ATOM 13 O ILE A 2 5.385 4.021 5.512 1.00 0.00 O ATOM 14 CB ILE A 2 3.093 2.173 6.811 1.00 0.00 C ATOM 15 CG1 ILE A 2 1.752 2.116 6.076 1.00 0.00 C ATOM 16 CG2 ILE A 2 2.944 1.530 8.191 1.00 0.00 C ATOM 17 CD1 ILE A 2 1.663 0.814 5.278 1.00 0.00 C ATOM 0 H ILE A 2 1.447 3.969 7.333 1.00 0.00 H new ATOM 0 HA ILE A 2 4.234 3.710 7.795 1.00 0.00 H new ATOM 0 HB ILE A 2 3.846 1.633 6.237 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.931 2.174 6.790 1.00 0.00 H new ATOM 0 HG13 ILE A 2 1.655 2.972 5.408 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.637 0.490 8.077 1.00 0.00 H new ATOM 0 HG22 ILE A 2 3.898 1.571 8.716 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.191 2.070 8.765 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.708 0.773 4.754 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.476 0.775 4.553 1.00 0.00 H new ATOM 0 HD13 ILE A 2 1.741 -0.035 5.957 1.00 0.00 H new ATOM 29 N VAL A 3 3.413 4.638 4.769 1.00 0.00 N ATOM 30 CA VAL A 3 3.987 5.129 3.494 1.00 0.00 C ATOM 31 C VAL A 3 4.926 6.301 3.777 1.00 0.00 C ATOM 32 O VAL A 3 6.000 6.399 3.219 1.00 0.00 O ATOM 33 CB VAL A 3 2.850 5.590 2.585 1.00 0.00 C ATOM 34 CG1 VAL A 3 3.314 5.530 1.139 1.00 0.00 C ATOM 35 CG2 VAL A 3 1.639 4.671 2.763 1.00 0.00 C ATOM 0 H VAL A 3 2.402 4.744 4.857 1.00 0.00 H new ATOM 0 HA VAL A 3 4.547 4.331 3.007 1.00 0.00 H new ATOM 0 HB VAL A 3 2.570 6.611 2.845 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.507 5.858 0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.177 6.183 1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.592 4.506 0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.831 5.004 2.112 1.00 0.00 H new ATOM 0 HG22 VAL A 3 1.916 3.649 2.503 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.307 4.704 3.801 1.00 0.00 H new ATOM 45 N GLU A 4 4.527 7.192 4.639 1.00 0.00 N ATOM 46 CA GLU A 4 5.395 8.359 4.961 1.00 0.00 C ATOM 47 C GLU A 4 6.624 7.882 5.735 1.00 0.00 C ATOM 48 O GLU A 4 7.723 8.363 5.535 1.00 0.00 O ATOM 49 CB GLU A 4 4.609 9.358 5.812 1.00 0.00 C ATOM 50 CG GLU A 4 4.604 10.724 5.122 1.00 0.00 C ATOM 51 CD GLU A 4 3.383 11.523 5.580 1.00 0.00 C ATOM 52 OE1 GLU A 4 3.366 11.935 6.729 1.00 0.00 O ATOM 53 OE2 GLU A 4 2.486 11.711 4.775 1.00 0.00 O ATOM 0 H GLU A 4 3.636 7.163 5.136 1.00 0.00 H new ATOM 0 HA GLU A 4 5.714 8.842 4.037 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.587 9.006 5.953 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.057 9.440 6.802 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.518 11.267 5.361 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.583 10.596 4.040 1.00 0.00 H new ATOM 60 N GLN A 5 6.447 6.941 6.619 1.00 0.00 N ATOM 61 CA GLN A 5 7.602 6.430 7.411 1.00 0.00 C ATOM 62 C GLN A 5 8.384 5.410 6.580 1.00 0.00 C ATOM 63 O GLN A 5 9.582 5.268 6.722 1.00 0.00 O ATOM 64 CB GLN A 5 7.088 5.760 8.687 1.00 0.00 C ATOM 65 CG GLN A 5 6.188 6.735 9.449 1.00 0.00 C ATOM 66 CD GLN A 5 6.917 7.234 10.698 1.00 0.00 C ATOM 67 OE1 GLN A 5 8.014 6.801 10.988 1.00 0.00 O ATOM 68 NE2 GLN A 5 6.349 8.133 11.454 1.00 0.00 N ATOM 0 H GLN A 5 5.550 6.502 6.828 1.00 0.00 H new ATOM 0 HA GLN A 5 8.257 7.261 7.673 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.533 4.856 8.437 1.00 0.00 H new ATOM 0 HB3 GLN A 5 7.926 5.457 9.314 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.922 7.577 8.809 1.00 0.00 H new ATOM 0 HG3 GLN A 5 5.257 6.243 9.731 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.428 8.496 11.210 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.826 8.473 12.289 1.00 0.00 H new ATOM 77 N CYS A 6 7.715 4.697 5.717 1.00 0.00 N ATOM 78 CA CYS A 6 8.420 3.683 4.882 1.00 0.00 C ATOM 79 C CYS A 6 8.407 4.125 3.417 1.00 0.00 C ATOM 80 O CYS A 6 8.578 3.327 2.517 1.00 0.00 O ATOM 81 CB CYS A 6 7.710 2.334 5.014 1.00 0.00 C ATOM 82 SG CYS A 6 8.939 1.023 5.230 1.00 0.00 S ATOM 0 H CYS A 6 6.711 4.772 5.553 1.00 0.00 H new ATOM 0 HA CYS A 6 9.451 3.588 5.221 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.028 2.352 5.864 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.108 2.140 4.127 1.00 0.00 H new ATOM 87 N CYS A 7 8.204 5.390 3.171 1.00 0.00 N ATOM 88 CA CYS A 7 8.178 5.882 1.765 1.00 0.00 C ATOM 89 C CYS A 7 9.424 5.389 1.025 1.00 0.00 C ATOM 90 O CYS A 7 9.406 5.186 -0.172 1.00 0.00 O ATOM 91 CB CYS A 7 8.154 7.412 1.760 1.00 0.00 C ATOM 92 SG CYS A 7 8.364 8.013 0.066 1.00 0.00 S ATOM 0 H CYS A 7 8.055 6.105 3.883 1.00 0.00 H new ATOM 0 HA CYS A 7 7.287 5.502 1.266 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.211 7.773 2.171 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.949 7.801 2.396 1.00 0.00 H new ATOM 97 N THR A 8 10.508 5.195 1.726 1.00 0.00 N ATOM 98 CA THR A 8 11.752 4.716 1.058 1.00 0.00 C ATOM 99 C THR A 8 11.409 3.579 0.092 1.00 0.00 C ATOM 100 O THR A 8 11.335 2.429 0.477 1.00 0.00 O ATOM 101 CB THR A 8 12.735 4.208 2.115 1.00 0.00 C ATOM 102 OG1 THR A 8 12.131 3.157 2.854 1.00 0.00 O ATOM 103 CG2 THR A 8 13.106 5.352 3.059 1.00 0.00 C ATOM 0 H THR A 8 10.586 5.347 2.732 1.00 0.00 H new ATOM 0 HA THR A 8 12.206 5.538 0.504 1.00 0.00 H new ATOM 0 HB THR A 8 13.636 3.837 1.627 1.00 0.00 H new ATOM 0 HG1 THR A 8 11.638 2.569 2.244 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.806 4.990 3.812 1.00 0.00 H new ATOM 0 HG22 THR A 8 13.570 6.158 2.490 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.207 5.725 3.549 1.00 0.00 H new ATOM 111 N SER A 9 11.201 3.891 -1.160 1.00 0.00 N ATOM 112 CA SER A 9 10.864 2.828 -2.150 1.00 0.00 C ATOM 113 C SER A 9 9.854 1.858 -1.532 1.00 0.00 C ATOM 114 O SER A 9 8.978 2.253 -0.789 1.00 0.00 O ATOM 115 CB SER A 9 12.132 2.069 -2.534 1.00 0.00 C ATOM 116 OG SER A 9 13.257 2.925 -2.386 1.00 0.00 O ATOM 0 H SER A 9 11.250 4.837 -1.539 1.00 0.00 H new ATOM 0 HA SER A 9 10.431 3.284 -3.040 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.246 1.187 -1.903 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.061 1.718 -3.563 1.00 0.00 H new ATOM 0 HG SER A 9 14.072 2.439 -2.630 1.00 0.00 H new ATOM 122 N ILE A 10 9.967 0.590 -1.829 1.00 0.00 N ATOM 123 CA ILE A 10 9.009 -0.390 -1.251 1.00 0.00 C ATOM 124 C ILE A 10 9.718 -1.233 -0.189 1.00 0.00 C ATOM 125 O ILE A 10 10.626 -1.988 -0.477 1.00 0.00 O ATOM 126 CB ILE A 10 8.445 -1.281 -2.376 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.025 -1.725 -2.007 1.00 0.00 C ATOM 128 CG2 ILE A 10 9.328 -2.515 -2.594 1.00 0.00 C ATOM 129 CD1 ILE A 10 7.084 -2.830 -0.950 1.00 0.00 C ATOM 0 H ILE A 10 10.678 0.195 -2.444 1.00 0.00 H new ATOM 0 HA ILE A 10 8.180 0.135 -0.777 1.00 0.00 H new ATOM 0 HB ILE A 10 8.428 -0.704 -3.301 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.456 -0.876 -1.627 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.505 -2.086 -2.894 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.908 -3.126 -3.393 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.334 -2.198 -2.870 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.371 -3.099 -1.674 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.072 -3.141 -0.692 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.636 -3.683 -1.345 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.586 -2.454 -0.059 1.00 0.00 H new ATOM 141 N CYS A 11 9.303 -1.116 1.039 1.00 0.00 N ATOM 142 CA CYS A 11 9.942 -1.920 2.110 1.00 0.00 C ATOM 143 C CYS A 11 9.050 -3.123 2.397 1.00 0.00 C ATOM 144 O CYS A 11 7.896 -2.979 2.746 1.00 0.00 O ATOM 145 CB CYS A 11 10.088 -1.072 3.375 1.00 0.00 C ATOM 146 SG CYS A 11 8.495 -0.316 3.784 1.00 0.00 S ATOM 0 H CYS A 11 8.551 -0.499 1.346 1.00 0.00 H new ATOM 0 HA CYS A 11 10.932 -2.250 1.795 1.00 0.00 H new ATOM 0 HB2 CYS A 11 10.431 -1.692 4.203 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.841 -0.299 3.222 1.00 0.00 H new ATOM 151 N SER A 12 9.570 -4.306 2.245 1.00 0.00 N ATOM 152 CA SER A 12 8.750 -5.516 2.497 1.00 0.00 C ATOM 153 C SER A 12 7.385 -5.356 1.828 1.00 0.00 C ATOM 154 O SER A 12 6.481 -4.767 2.382 1.00 0.00 O ATOM 155 CB SER A 12 8.561 -5.697 4.004 1.00 0.00 C ATOM 156 OG SER A 12 7.560 -6.679 4.237 1.00 0.00 O ATOM 0 H SER A 12 10.531 -4.486 1.956 1.00 0.00 H new ATOM 0 HA SER A 12 9.255 -6.390 2.086 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.500 -6.002 4.466 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.272 -4.751 4.462 1.00 0.00 H new ATOM 0 HG SER A 12 7.437 -6.799 5.202 1.00 0.00 H new ATOM 162 N LEU A 13 7.210 -5.895 0.652 1.00 0.00 N ATOM 163 CA LEU A 13 5.881 -5.776 -0.002 1.00 0.00 C ATOM 164 C LEU A 13 4.864 -6.286 1.001 1.00 0.00 C ATOM 165 O LEU A 13 3.735 -5.840 1.057 1.00 0.00 O ATOM 166 CB LEU A 13 5.841 -6.629 -1.272 1.00 0.00 C ATOM 167 CG LEU A 13 4.412 -6.667 -1.817 1.00 0.00 C ATOM 168 CD1 LEU A 13 4.023 -5.278 -2.328 1.00 0.00 C ATOM 169 CD2 LEU A 13 4.331 -7.673 -2.967 1.00 0.00 C ATOM 0 H LEU A 13 7.919 -6.404 0.125 1.00 0.00 H new ATOM 0 HA LEU A 13 5.672 -4.746 -0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.516 -6.216 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.186 -7.640 -1.055 1.00 0.00 H new ATOM 0 HG LEU A 13 3.729 -6.967 -1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.005 -5.305 -2.716 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.080 -4.560 -1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.706 -4.978 -3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.313 -7.700 -3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.015 -7.373 -3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.608 -8.663 -2.605 1.00 0.00 H new ATOM 181 N TYR A 14 5.286 -7.200 1.823 1.00 0.00 N ATOM 182 CA TYR A 14 4.384 -7.733 2.871 1.00 0.00 C ATOM 183 C TYR A 14 4.028 -6.580 3.805 1.00 0.00 C ATOM 184 O TYR A 14 2.933 -6.501 4.325 1.00 0.00 O ATOM 185 CB TYR A 14 5.097 -8.836 3.656 1.00 0.00 C ATOM 186 CG TYR A 14 5.557 -9.915 2.705 1.00 0.00 C ATOM 187 CD1 TYR A 14 6.776 -9.779 2.029 1.00 0.00 C ATOM 188 CD2 TYR A 14 4.766 -11.051 2.499 1.00 0.00 C ATOM 189 CE1 TYR A 14 7.202 -10.779 1.147 1.00 0.00 C ATOM 190 CE2 TYR A 14 5.192 -12.051 1.616 1.00 0.00 C ATOM 191 CZ TYR A 14 6.410 -11.914 0.940 1.00 0.00 C ATOM 192 OH TYR A 14 6.831 -12.899 0.070 1.00 0.00 O ATOM 0 H TYR A 14 6.223 -7.602 1.813 1.00 0.00 H new ATOM 0 HA TYR A 14 3.484 -8.155 2.424 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.950 -8.421 4.193 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.425 -9.258 4.403 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.387 -8.903 2.188 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.827 -11.157 3.021 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.142 -10.675 0.626 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.581 -12.927 1.457 1.00 0.00 H new ATOM 0 HH TYR A 14 6.165 -13.618 0.043 1.00 0.00 H new ATOM 202 N GLN A 15 4.946 -5.669 4.005 1.00 0.00 N ATOM 203 CA GLN A 15 4.653 -4.506 4.887 1.00 0.00 C ATOM 204 C GLN A 15 3.563 -3.660 4.227 1.00 0.00 C ATOM 205 O GLN A 15 2.586 -3.294 4.850 1.00 0.00 O ATOM 206 CB GLN A 15 5.917 -3.664 5.077 1.00 0.00 C ATOM 207 CG GLN A 15 6.622 -4.088 6.367 1.00 0.00 C ATOM 208 CD GLN A 15 7.168 -2.851 7.082 1.00 0.00 C ATOM 209 OE1 GLN A 15 8.349 -2.571 7.021 1.00 0.00 O ATOM 210 NE2 GLN A 15 6.352 -2.093 7.762 1.00 0.00 N ATOM 0 H GLN A 15 5.881 -5.682 3.597 1.00 0.00 H new ATOM 0 HA GLN A 15 4.317 -4.855 5.863 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.585 -3.794 4.225 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.659 -2.606 5.122 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.926 -4.619 7.017 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.435 -4.778 6.140 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.361 -2.328 7.813 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.705 -1.265 8.242 1.00 0.00 H new ATOM 219 N LEU A 16 3.709 -3.367 2.961 1.00 0.00 N ATOM 220 CA LEU A 16 2.666 -2.571 2.262 1.00 0.00 C ATOM 221 C LEU A 16 1.428 -3.449 2.116 1.00 0.00 C ATOM 222 O LEU A 16 0.319 -3.036 2.393 1.00 0.00 O ATOM 223 CB LEU A 16 3.172 -2.156 0.879 1.00 0.00 C ATOM 224 CG LEU A 16 3.175 -0.631 0.772 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.897 -0.210 -0.510 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.733 -0.120 0.734 1.00 0.00 C ATOM 0 H LEU A 16 4.504 -3.645 2.385 1.00 0.00 H new ATOM 0 HA LEU A 16 2.430 -1.671 2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.177 -2.544 0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.536 -2.584 0.104 1.00 0.00 H new ATOM 0 HG LEU A 16 3.689 -0.208 1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.899 0.877 -0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.924 -0.574 -0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.383 -0.633 -1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.734 0.967 0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.219 -0.544 -0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.217 -0.419 1.646 1.00 0.00 H new ATOM 238 N GLU A 17 1.617 -4.670 1.697 1.00 0.00 N ATOM 239 CA GLU A 17 0.464 -5.595 1.547 1.00 0.00 C ATOM 240 C GLU A 17 -0.178 -5.819 2.918 1.00 0.00 C ATOM 241 O GLU A 17 -1.377 -5.936 3.044 1.00 0.00 O ATOM 242 CB GLU A 17 0.949 -6.933 0.984 1.00 0.00 C ATOM 243 CG GLU A 17 -0.180 -7.594 0.190 1.00 0.00 C ATOM 244 CD GLU A 17 -0.299 -9.063 0.597 1.00 0.00 C ATOM 245 OE1 GLU A 17 0.556 -9.525 1.334 1.00 0.00 O ATOM 246 OE2 GLU A 17 -1.244 -9.702 0.164 1.00 0.00 O ATOM 0 H GLU A 17 2.524 -5.066 1.452 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.267 -5.163 0.864 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.816 -6.776 0.342 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.268 -7.587 1.796 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.121 -7.077 0.377 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.020 -7.517 -0.879 1.00 0.00 H new ATOM 253 N ASN A 18 0.616 -5.884 3.948 1.00 0.00 N ATOM 254 CA ASN A 18 0.059 -6.102 5.313 1.00 0.00 C ATOM 255 C ASN A 18 -0.803 -4.904 5.728 1.00 0.00 C ATOM 256 O ASN A 18 -1.614 -4.998 6.628 1.00 0.00 O ATOM 257 CB ASN A 18 1.208 -6.270 6.309 1.00 0.00 C ATOM 258 CG ASN A 18 1.700 -7.718 6.283 1.00 0.00 C ATOM 259 OD1 ASN A 18 0.910 -8.639 6.212 1.00 0.00 O ATOM 260 ND2 ASN A 18 2.981 -7.961 6.339 1.00 0.00 N ATOM 0 H ASN A 18 1.631 -5.795 3.904 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.559 -7.000 5.307 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.024 -5.593 6.056 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.875 -6.006 7.313 1.00 0.00 H new ATOM 0 HD21 ASN A 18 3.319 -8.923 6.323 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.644 -7.189 6.399 1.00 0.00 H new ATOM 267 N TYR A 19 -0.630 -3.776 5.092 1.00 0.00 N ATOM 268 CA TYR A 19 -1.433 -2.580 5.466 1.00 0.00 C ATOM 269 C TYR A 19 -2.919 -2.885 5.301 1.00 0.00 C ATOM 270 O TYR A 19 -3.687 -2.811 6.239 1.00 0.00 O ATOM 271 CB TYR A 19 -1.055 -1.404 4.559 1.00 0.00 C ATOM 272 CG TYR A 19 -1.973 -0.230 4.826 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.723 -0.173 6.009 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.071 0.806 3.888 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.568 0.917 6.252 1.00 0.00 C ATOM 276 CE2 TYR A 19 -2.915 1.896 4.133 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.664 1.951 5.314 1.00 0.00 C ATOM 278 OH TYR A 19 -4.496 3.025 5.554 1.00 0.00 O ATOM 0 H TYR A 19 0.033 -3.633 4.330 1.00 0.00 H new ATOM 0 HA TYR A 19 -1.228 -2.322 6.505 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.019 -1.115 4.737 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.127 -1.702 3.513 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.649 -0.970 6.734 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.495 0.764 2.975 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.146 0.960 7.164 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.988 2.695 3.410 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.273 3.755 4.940 1.00 0.00 H new ATOM 288 N CYS A 20 -3.327 -3.224 4.110 1.00 0.00 N ATOM 289 CA CYS A 20 -4.768 -3.531 3.869 1.00 0.00 C ATOM 290 C CYS A 20 -5.639 -2.526 4.626 1.00 0.00 C ATOM 291 O CYS A 20 -5.180 -1.479 5.038 1.00 0.00 O ATOM 292 CB CYS A 20 -5.082 -4.948 4.357 1.00 0.00 C ATOM 293 SG CYS A 20 -4.078 -6.149 3.445 1.00 0.00 S ATOM 0 H CYS A 20 -2.725 -3.302 3.290 1.00 0.00 H new ATOM 0 HA CYS A 20 -4.977 -3.462 2.801 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -4.879 -5.028 5.425 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -6.141 -5.164 4.216 1.00 0.00 H new ATOM 298 N ASN A 21 -6.892 -2.836 4.814 1.00 0.00 N ATOM 299 CA ASN A 21 -7.790 -1.898 5.546 1.00 0.00 C ATOM 300 C ASN A 21 -8.675 -2.688 6.511 1.00 0.00 C ATOM 301 O ASN A 21 -9.355 -3.593 6.055 1.00 0.00 O ATOM 302 CB ASN A 21 -8.670 -1.147 4.545 1.00 0.00 C ATOM 303 CG ASN A 21 -9.296 0.070 5.228 1.00 0.00 C ATOM 304 OD1 ASN A 21 -8.625 1.050 5.483 1.00 0.00 O ATOM 305 ND2 ASN A 21 -10.564 0.050 5.536 1.00 0.00 N ATOM 306 OXT ASN A 21 -8.658 -2.376 7.691 1.00 0.00 O ATOM 0 H ASN A 21 -7.333 -3.698 4.493 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.188 -1.183 6.107 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.075 -0.830 3.688 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.451 -1.806 4.165 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.991 0.857 5.991 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.128 -0.773 5.322 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 9.476 -11.461 -8.458 1.00 0.00 N ATOM 315 CA PHE B 1 10.772 -10.727 -8.495 1.00 0.00 C ATOM 316 C PHE B 1 10.746 -9.596 -7.464 1.00 0.00 C ATOM 317 O PHE B 1 9.696 -9.139 -7.056 1.00 0.00 O ATOM 318 CB PHE B 1 10.987 -10.140 -9.892 1.00 0.00 C ATOM 319 CG PHE B 1 11.807 -11.098 -10.721 1.00 0.00 C ATOM 320 CD1 PHE B 1 13.206 -11.030 -10.690 1.00 0.00 C ATOM 321 CD2 PHE B 1 11.170 -12.055 -11.521 1.00 0.00 C ATOM 322 CE1 PHE B 1 13.967 -11.918 -11.460 1.00 0.00 C ATOM 323 CE2 PHE B 1 11.932 -12.943 -12.290 1.00 0.00 C ATOM 324 CZ PHE B 1 13.330 -12.875 -12.259 1.00 0.00 C ATOM 0 H1 PHE B 1 9.133 -11.609 -9.429 1.00 0.00 H new ATOM 0 H2 PHE B 1 9.612 -12.382 -7.994 1.00 0.00 H new ATOM 0 H3 PHE B 1 8.777 -10.905 -7.925 1.00 0.00 H new ATOM 0 HA PHE B 1 11.586 -11.414 -8.261 1.00 0.00 H new ATOM 0 HB2 PHE B 1 10.026 -9.957 -10.373 1.00 0.00 H new ATOM 0 HB3 PHE B 1 11.495 -9.178 -9.820 1.00 0.00 H new ATOM 0 HD1 PHE B 1 13.697 -10.293 -10.072 1.00 0.00 H new ATOM 0 HD2 PHE B 1 10.092 -12.108 -11.545 1.00 0.00 H new ATOM 0 HE1 PHE B 1 15.045 -11.865 -11.438 1.00 0.00 H new ATOM 0 HE2 PHE B 1 11.441 -13.681 -12.907 1.00 0.00 H new ATOM 0 HZ PHE B 1 13.917 -13.561 -12.852 1.00 0.00 H new ATOM 336 N VAL B 2 11.892 -9.141 -7.037 1.00 0.00 N ATOM 337 CA VAL B 2 11.930 -8.041 -6.033 1.00 0.00 C ATOM 338 C VAL B 2 11.437 -6.744 -6.679 1.00 0.00 C ATOM 339 O VAL B 2 11.648 -6.505 -7.851 1.00 0.00 O ATOM 340 CB VAL B 2 13.364 -7.852 -5.536 1.00 0.00 C ATOM 341 CG1 VAL B 2 13.381 -6.819 -4.408 1.00 0.00 C ATOM 342 CG2 VAL B 2 13.900 -9.186 -5.012 1.00 0.00 C ATOM 0 H VAL B 2 12.804 -9.484 -7.340 1.00 0.00 H new ATOM 0 HA VAL B 2 11.286 -8.295 -5.191 1.00 0.00 H new ATOM 0 HB VAL B 2 13.991 -7.504 -6.357 1.00 0.00 H new ATOM 0 HG11 VAL B 2 14.403 -6.684 -4.054 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.997 -5.869 -4.779 1.00 0.00 H new ATOM 0 HG13 VAL B 2 12.755 -7.167 -3.586 1.00 0.00 H new ATOM 0 HG21 VAL B 2 14.922 -9.053 -4.657 1.00 0.00 H new ATOM 0 HG22 VAL B 2 13.273 -9.533 -4.191 1.00 0.00 H new ATOM 0 HG23 VAL B 2 13.887 -9.924 -5.814 1.00 0.00 H new ATOM 352 N ASN B 3 10.783 -5.905 -5.923 1.00 0.00 N ATOM 353 CA ASN B 3 10.278 -4.626 -6.497 1.00 0.00 C ATOM 354 C ASN B 3 10.739 -3.455 -5.626 1.00 0.00 C ATOM 355 O ASN B 3 11.105 -3.627 -4.480 1.00 0.00 O ATOM 356 CB ASN B 3 8.749 -4.654 -6.544 1.00 0.00 C ATOM 357 CG ASN B 3 8.231 -3.334 -7.117 1.00 0.00 C ATOM 358 OD1 ASN B 3 8.142 -3.173 -8.318 1.00 0.00 O ATOM 359 ND2 ASN B 3 7.883 -2.375 -6.303 1.00 0.00 N ATOM 0 H ASN B 3 10.577 -6.050 -4.935 1.00 0.00 H new ATOM 0 HA ASN B 3 10.671 -4.504 -7.506 1.00 0.00 H new ATOM 0 HB2 ASN B 3 8.409 -5.488 -7.158 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.347 -4.811 -5.543 1.00 0.00 H new ATOM 0 HD21 ASN B 3 7.536 -1.491 -6.675 1.00 0.00 H new ATOM 0 HD22 ASN B 3 7.958 -2.510 -5.295 1.00 0.00 H new ATOM 366 N GLN B 4 10.724 -2.266 -6.163 1.00 0.00 N ATOM 367 CA GLN B 4 11.160 -1.081 -5.370 1.00 0.00 C ATOM 368 C GLN B 4 10.791 0.196 -6.128 1.00 0.00 C ATOM 369 O GLN B 4 11.616 0.796 -6.787 1.00 0.00 O ATOM 370 CB GLN B 4 12.678 -1.130 -5.170 1.00 0.00 C ATOM 371 CG GLN B 4 13.007 -1.948 -3.920 1.00 0.00 C ATOM 372 CD GLN B 4 13.649 -3.274 -4.332 1.00 0.00 C ATOM 373 OE1 GLN B 4 13.598 -3.655 -5.484 1.00 0.00 O ATOM 374 NE2 GLN B 4 14.256 -3.998 -3.431 1.00 0.00 N ATOM 0 H GLN B 4 10.428 -2.063 -7.118 1.00 0.00 H new ATOM 0 HA GLN B 4 10.665 -1.089 -4.399 1.00 0.00 H new ATOM 0 HB2 GLN B 4 13.155 -1.574 -6.043 1.00 0.00 H new ATOM 0 HB3 GLN B 4 13.074 -0.119 -5.070 1.00 0.00 H new ATOM 0 HG2 GLN B 4 13.684 -1.389 -3.275 1.00 0.00 H new ATOM 0 HG3 GLN B 4 12.100 -2.134 -3.345 1.00 0.00 H new ATOM 0 HE21 GLN B 4 14.299 -3.678 -2.464 1.00 0.00 H new ATOM 0 HE22 GLN B 4 14.688 -4.884 -3.695 1.00 0.00 H new ATOM 383 N HIS B 5 9.557 0.617 -6.047 1.00 0.00 N ATOM 384 CA HIS B 5 9.151 1.853 -6.773 1.00 0.00 C ATOM 385 C HIS B 5 9.866 3.064 -6.168 1.00 0.00 C ATOM 386 O HIS B 5 10.575 2.953 -5.187 1.00 0.00 O ATOM 387 CB HIS B 5 7.635 2.048 -6.673 1.00 0.00 C ATOM 388 CG HIS B 5 7.158 1.646 -5.306 1.00 0.00 C ATOM 389 ND1 HIS B 5 7.969 1.732 -4.187 1.00 0.00 N ATOM 390 CD2 HIS B 5 5.957 1.151 -4.863 1.00 0.00 C ATOM 391 CE1 HIS B 5 7.253 1.297 -3.135 1.00 0.00 C ATOM 392 NE2 HIS B 5 6.019 0.931 -3.491 1.00 0.00 N ATOM 0 H HIS B 5 8.817 0.161 -5.513 1.00 0.00 H new ATOM 0 HA HIS B 5 9.428 1.755 -7.823 1.00 0.00 H new ATOM 0 HB2 HIS B 5 7.380 3.090 -6.865 1.00 0.00 H new ATOM 0 HB3 HIS B 5 7.132 1.451 -7.434 1.00 0.00 H new ATOM 0 HD1 HIS B 5 8.933 2.064 -4.165 1.00 0.00 H new ATOM 0 HD2 HIS B 5 5.095 0.961 -5.485 1.00 0.00 H new ATOM 0 HE1 HIS B 5 7.630 1.249 -2.124 1.00 0.00 H new ATOM 400 N LEU B 6 9.688 4.220 -6.748 1.00 0.00 N ATOM 401 CA LEU B 6 10.362 5.438 -6.212 1.00 0.00 C ATOM 402 C LEU B 6 9.499 6.064 -5.113 1.00 0.00 C ATOM 403 O LEU B 6 9.799 7.128 -4.610 1.00 0.00 O ATOM 404 CB LEU B 6 10.556 6.450 -7.343 1.00 0.00 C ATOM 405 CG LEU B 6 9.214 6.710 -8.030 1.00 0.00 C ATOM 406 CD1 LEU B 6 8.886 8.202 -7.964 1.00 0.00 C ATOM 407 CD2 LEU B 6 9.298 6.272 -9.494 1.00 0.00 C ATOM 0 H LEU B 6 9.105 4.374 -7.570 1.00 0.00 H new ATOM 0 HA LEU B 6 11.331 5.161 -5.797 1.00 0.00 H new ATOM 0 HB2 LEU B 6 10.960 7.381 -6.947 1.00 0.00 H new ATOM 0 HB3 LEU B 6 11.279 6.070 -8.065 1.00 0.00 H new ATOM 0 HG LEU B 6 8.432 6.144 -7.524 1.00 0.00 H new ATOM 0 HD11 LEU B 6 7.930 8.386 -8.454 1.00 0.00 H new ATOM 0 HD12 LEU B 6 8.826 8.516 -6.922 1.00 0.00 H new ATOM 0 HD13 LEU B 6 9.668 8.769 -8.469 1.00 0.00 H new ATOM 0 HD21 LEU B 6 8.342 6.457 -9.984 1.00 0.00 H new ATOM 0 HD22 LEU B 6 10.081 6.838 -9.999 1.00 0.00 H new ATOM 0 HD23 LEU B 6 9.531 5.208 -9.543 1.00 0.00 H new ATOM 419 N CYS B 7 8.431 5.413 -4.740 1.00 0.00 N ATOM 420 CA CYS B 7 7.548 5.966 -3.674 1.00 0.00 C ATOM 421 C CYS B 7 6.809 7.202 -4.195 1.00 0.00 C ATOM 422 O CYS B 7 6.066 7.838 -3.474 1.00 0.00 O ATOM 423 CB CYS B 7 8.394 6.349 -2.461 1.00 0.00 C ATOM 424 SG CYS B 7 7.308 6.709 -1.059 1.00 0.00 S ATOM 0 H CYS B 7 8.131 4.519 -5.129 1.00 0.00 H new ATOM 0 HA CYS B 7 6.817 5.210 -3.386 1.00 0.00 H new ATOM 0 HB2 CYS B 7 9.075 5.537 -2.208 1.00 0.00 H new ATOM 0 HB3 CYS B 7 9.008 7.219 -2.692 1.00 0.00 H new ATOM 429 N GLY B 8 6.993 7.544 -5.442 1.00 0.00 N ATOM 430 CA GLY B 8 6.285 8.732 -5.995 1.00 0.00 C ATOM 431 C GLY B 8 4.815 8.377 -6.198 1.00 0.00 C ATOM 432 O GLY B 8 4.327 8.323 -7.309 1.00 0.00 O ATOM 0 H GLY B 8 7.601 7.054 -6.098 1.00 0.00 H new ATOM 0 HA2 GLY B 8 6.379 9.578 -5.314 1.00 0.00 H new ATOM 0 HA3 GLY B 8 6.735 9.033 -6.941 1.00 0.00 H new ATOM 436 N SER B 9 4.119 8.115 -5.125 1.00 0.00 N ATOM 437 CA SER B 9 2.678 7.739 -5.219 1.00 0.00 C ATOM 438 C SER B 9 2.564 6.240 -5.516 1.00 0.00 C ATOM 439 O SER B 9 1.507 5.653 -5.399 1.00 0.00 O ATOM 440 CB SER B 9 1.999 8.537 -6.334 1.00 0.00 C ATOM 441 OG SER B 9 0.642 8.773 -5.983 1.00 0.00 O ATOM 0 H SER B 9 4.492 8.146 -4.176 1.00 0.00 H new ATOM 0 HA SER B 9 2.186 7.964 -4.273 1.00 0.00 H new ATOM 0 HB2 SER B 9 2.517 9.484 -6.487 1.00 0.00 H new ATOM 0 HB3 SER B 9 2.053 7.989 -7.274 1.00 0.00 H new ATOM 0 HG SER B 9 0.204 9.285 -6.695 1.00 0.00 H new ATOM 447 N HIS B 10 3.647 5.617 -5.899 1.00 0.00 N ATOM 448 CA HIS B 10 3.607 4.162 -6.201 1.00 0.00 C ATOM 449 C HIS B 10 3.421 3.373 -4.904 1.00 0.00 C ATOM 450 O HIS B 10 2.702 2.396 -4.858 1.00 0.00 O ATOM 451 CB HIS B 10 4.920 3.743 -6.866 1.00 0.00 C ATOM 452 CG HIS B 10 5.147 4.571 -8.101 1.00 0.00 C ATOM 453 ND1 HIS B 10 4.250 5.542 -8.519 1.00 0.00 N ATOM 454 CD2 HIS B 10 6.168 4.585 -9.019 1.00 0.00 C ATOM 455 CE1 HIS B 10 4.744 6.094 -9.642 1.00 0.00 C ATOM 456 NE2 HIS B 10 5.911 5.547 -9.991 1.00 0.00 N ATOM 0 H HIS B 10 4.560 6.058 -6.015 1.00 0.00 H new ATOM 0 HA HIS B 10 2.774 3.956 -6.874 1.00 0.00 H new ATOM 0 HB2 HIS B 10 5.749 3.874 -6.171 1.00 0.00 H new ATOM 0 HB3 HIS B 10 4.886 2.685 -7.126 1.00 0.00 H new ATOM 0 HD2 HIS B 10 7.038 3.946 -8.991 1.00 0.00 H new ATOM 0 HE1 HIS B 10 4.256 6.884 -10.194 1.00 0.00 H new ATOM 0 HE2 HIS B 10 6.490 5.783 -10.797 1.00 0.00 H new ATOM 464 N LEU B 11 4.070 3.787 -3.848 1.00 0.00 N ATOM 465 CA LEU B 11 3.932 3.054 -2.558 1.00 0.00 C ATOM 466 C LEU B 11 2.457 2.992 -2.163 1.00 0.00 C ATOM 467 O LEU B 11 1.949 1.953 -1.792 1.00 0.00 O ATOM 468 CB LEU B 11 4.724 3.781 -1.468 1.00 0.00 C ATOM 469 CG LEU B 11 5.204 2.768 -0.428 1.00 0.00 C ATOM 470 CD1 LEU B 11 6.344 3.376 0.390 1.00 0.00 C ATOM 471 CD2 LEU B 11 4.045 2.407 0.504 1.00 0.00 C ATOM 0 H LEU B 11 4.688 4.598 -3.824 1.00 0.00 H new ATOM 0 HA LEU B 11 4.320 2.042 -2.672 1.00 0.00 H new ATOM 0 HB2 LEU B 11 5.576 4.300 -1.907 1.00 0.00 H new ATOM 0 HB3 LEU B 11 4.100 4.538 -0.993 1.00 0.00 H new ATOM 0 HG LEU B 11 5.559 1.870 -0.933 1.00 0.00 H new ATOM 0 HD11 LEU B 11 6.686 2.653 1.131 1.00 0.00 H new ATOM 0 HD12 LEU B 11 7.170 3.634 -0.273 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.990 4.274 0.896 1.00 0.00 H new ATOM 0 HD21 LEU B 11 4.386 1.685 1.246 1.00 0.00 H new ATOM 0 HD22 LEU B 11 3.690 3.306 1.009 1.00 0.00 H new ATOM 0 HD23 LEU B 11 3.232 1.973 -0.078 1.00 0.00 H new ATOM 483 N VAL B 12 1.761 4.093 -2.248 1.00 0.00 N ATOM 484 CA VAL B 12 0.318 4.082 -1.884 1.00 0.00 C ATOM 485 C VAL B 12 -0.446 3.274 -2.928 1.00 0.00 C ATOM 486 O VAL B 12 -1.230 2.406 -2.602 1.00 0.00 O ATOM 487 CB VAL B 12 -0.215 5.516 -1.844 1.00 0.00 C ATOM 488 CG1 VAL B 12 -1.733 5.498 -1.656 1.00 0.00 C ATOM 489 CG2 VAL B 12 0.434 6.265 -0.678 1.00 0.00 C ATOM 0 H VAL B 12 2.128 4.995 -2.552 1.00 0.00 H new ATOM 0 HA VAL B 12 0.187 3.630 -0.901 1.00 0.00 H new ATOM 0 HB VAL B 12 0.025 6.017 -2.782 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.108 6.521 -1.628 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.196 4.964 -2.486 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -1.978 4.996 -0.720 1.00 0.00 H new ATOM 0 HG21 VAL B 12 0.056 7.287 -0.647 1.00 0.00 H new ATOM 0 HG22 VAL B 12 0.193 5.760 0.258 1.00 0.00 H new ATOM 0 HG23 VAL B 12 1.515 6.282 -0.813 1.00 0.00 H new ATOM 499 N GLU B 13 -0.208 3.534 -4.183 1.00 0.00 N ATOM 500 CA GLU B 13 -0.909 2.754 -5.234 1.00 0.00 C ATOM 501 C GLU B 13 -0.655 1.273 -4.965 1.00 0.00 C ATOM 502 O GLU B 13 -1.473 0.425 -5.258 1.00 0.00 O ATOM 503 CB GLU B 13 -0.361 3.131 -6.612 1.00 0.00 C ATOM 504 CG GLU B 13 -1.363 2.718 -7.691 1.00 0.00 C ATOM 505 CD GLU B 13 -2.446 3.791 -7.822 1.00 0.00 C ATOM 506 OE1 GLU B 13 -2.092 4.957 -7.880 1.00 0.00 O ATOM 507 OE2 GLU B 13 -3.610 3.429 -7.861 1.00 0.00 O ATOM 0 H GLU B 13 0.437 4.248 -4.522 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.978 2.967 -5.216 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -0.179 4.205 -6.661 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.596 2.638 -6.782 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -0.852 2.584 -8.644 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -1.815 1.760 -7.435 1.00 0.00 H new ATOM 514 N ALA B 14 0.478 0.963 -4.392 1.00 0.00 N ATOM 515 CA ALA B 14 0.793 -0.455 -4.083 1.00 0.00 C ATOM 516 C ALA B 14 -0.134 -0.931 -2.968 1.00 0.00 C ATOM 517 O ALA B 14 -0.724 -1.990 -3.041 1.00 0.00 O ATOM 518 CB ALA B 14 2.249 -0.571 -3.627 1.00 0.00 C ATOM 0 H ALA B 14 1.198 1.635 -4.126 1.00 0.00 H new ATOM 0 HA ALA B 14 0.650 -1.069 -4.972 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.478 -1.612 -3.401 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.908 -0.219 -4.421 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.400 0.036 -2.734 1.00 0.00 H new ATOM 524 N LEU B 15 -0.273 -0.142 -1.940 1.00 0.00 N ATOM 525 CA LEU B 15 -1.168 -0.529 -0.817 1.00 0.00 C ATOM 526 C LEU B 15 -2.582 -0.732 -1.366 1.00 0.00 C ATOM 527 O LEU B 15 -3.315 -1.594 -0.925 1.00 0.00 O ATOM 528 CB LEU B 15 -1.131 0.564 0.271 1.00 0.00 C ATOM 529 CG LEU B 15 -2.303 1.541 0.116 1.00 0.00 C ATOM 530 CD1 LEU B 15 -3.518 1.003 0.874 1.00 0.00 C ATOM 531 CD2 LEU B 15 -1.906 2.902 0.692 1.00 0.00 C ATOM 0 H LEU B 15 0.197 0.757 -1.830 1.00 0.00 H new ATOM 0 HA LEU B 15 -0.835 -1.462 -0.361 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.168 0.101 1.257 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.189 1.109 0.210 1.00 0.00 H new ATOM 0 HG LEU B 15 -2.552 1.649 -0.940 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -4.352 1.697 0.764 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.799 0.031 0.468 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -3.270 0.897 1.930 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -2.737 3.599 0.584 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -1.660 2.792 1.748 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -1.038 3.285 0.155 1.00 0.00 H new ATOM 543 N TYR B 16 -2.966 0.044 -2.338 1.00 0.00 N ATOM 544 CA TYR B 16 -4.318 -0.131 -2.922 1.00 0.00 C ATOM 545 C TYR B 16 -4.348 -1.469 -3.658 1.00 0.00 C ATOM 546 O TYR B 16 -5.227 -2.284 -3.463 1.00 0.00 O ATOM 547 CB TYR B 16 -4.606 1.003 -3.913 1.00 0.00 C ATOM 548 CG TYR B 16 -4.808 2.310 -3.173 1.00 0.00 C ATOM 549 CD1 TYR B 16 -4.654 2.371 -1.781 1.00 0.00 C ATOM 550 CD2 TYR B 16 -5.151 3.466 -3.887 1.00 0.00 C ATOM 551 CE1 TYR B 16 -4.842 3.583 -1.106 1.00 0.00 C ATOM 552 CE2 TYR B 16 -5.338 4.678 -3.211 1.00 0.00 C ATOM 553 CZ TYR B 16 -5.184 4.736 -1.821 1.00 0.00 C ATOM 554 OH TYR B 16 -5.369 5.931 -1.156 1.00 0.00 O ATOM 0 H TYR B 16 -2.404 0.788 -2.751 1.00 0.00 H new ATOM 0 HA TYR B 16 -5.072 -0.111 -2.135 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -3.779 1.099 -4.616 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -5.495 0.767 -4.498 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -4.390 1.481 -1.228 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -5.271 3.422 -4.959 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -4.723 3.628 -0.034 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -5.601 5.569 -3.762 1.00 0.00 H new ATOM 0 HH TYR B 16 -5.682 5.753 -0.245 1.00 0.00 H new ATOM 564 N LEU B 17 -3.385 -1.691 -4.505 1.00 0.00 N ATOM 565 CA LEU B 17 -3.333 -2.968 -5.270 1.00 0.00 C ATOM 566 C LEU B 17 -2.988 -4.146 -4.356 1.00 0.00 C ATOM 567 O LEU B 17 -3.557 -5.212 -4.473 1.00 0.00 O ATOM 568 CB LEU B 17 -2.290 -2.858 -6.383 1.00 0.00 C ATOM 569 CG LEU B 17 -2.583 -3.903 -7.461 1.00 0.00 C ATOM 570 CD1 LEU B 17 -3.811 -3.475 -8.266 1.00 0.00 C ATOM 571 CD2 LEU B 17 -1.377 -4.021 -8.396 1.00 0.00 C ATOM 0 H LEU B 17 -2.626 -1.039 -4.702 1.00 0.00 H new ATOM 0 HA LEU B 17 -4.317 -3.148 -5.702 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -2.309 -1.858 -6.816 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -1.290 -3.010 -5.976 1.00 0.00 H new ATOM 0 HG LEU B 17 -2.775 -4.867 -6.990 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -4.020 -4.219 -9.034 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -4.670 -3.389 -7.601 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -3.619 -2.511 -8.737 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -1.584 -4.765 -9.165 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -1.186 -3.057 -8.867 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -0.501 -4.325 -7.823 1.00 0.00 H new ATOM 583 N VAL B 18 -2.057 -3.980 -3.456 1.00 0.00 N ATOM 584 CA VAL B 18 -1.697 -5.122 -2.567 1.00 0.00 C ATOM 585 C VAL B 18 -2.961 -5.594 -1.861 1.00 0.00 C ATOM 586 O VAL B 18 -3.253 -6.771 -1.799 1.00 0.00 O ATOM 587 CB VAL B 18 -0.662 -4.687 -1.523 1.00 0.00 C ATOM 588 CG1 VAL B 18 0.550 -4.055 -2.210 1.00 0.00 C ATOM 589 CG2 VAL B 18 -1.298 -3.674 -0.582 1.00 0.00 C ATOM 0 H VAL B 18 -1.537 -3.117 -3.299 1.00 0.00 H new ATOM 0 HA VAL B 18 -1.266 -5.926 -3.163 1.00 0.00 H new ATOM 0 HB VAL B 18 -0.332 -5.560 -0.961 1.00 0.00 H new ATOM 0 HG11 VAL B 18 1.277 -3.751 -1.457 1.00 0.00 H new ATOM 0 HG12 VAL B 18 1.006 -4.781 -2.883 1.00 0.00 H new ATOM 0 HG13 VAL B 18 0.231 -3.182 -2.780 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -0.567 -3.361 0.163 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -1.630 -2.806 -1.152 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -2.153 -4.129 -0.082 1.00 0.00 H new ATOM 599 N CYS B 19 -3.718 -4.677 -1.342 1.00 0.00 N ATOM 600 CA CYS B 19 -4.979 -5.051 -0.649 1.00 0.00 C ATOM 601 C CYS B 19 -5.604 -3.788 -0.076 1.00 0.00 C ATOM 602 O CYS B 19 -6.196 -3.800 0.985 1.00 0.00 O ATOM 603 CB CYS B 19 -4.678 -6.033 0.482 1.00 0.00 C ATOM 604 SG CYS B 19 -3.625 -5.223 1.707 1.00 0.00 S ATOM 0 H CYS B 19 -3.518 -3.677 -1.367 1.00 0.00 H new ATOM 0 HA CYS B 19 -5.664 -5.525 -1.352 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -5.606 -6.367 0.946 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -4.182 -6.920 0.088 1.00 0.00 H new ATOM 609 N GLY B 20 -5.471 -2.693 -0.769 1.00 0.00 N ATOM 610 CA GLY B 20 -6.056 -1.422 -0.254 1.00 0.00 C ATOM 611 C GLY B 20 -7.367 -1.131 -0.985 1.00 0.00 C ATOM 612 O GLY B 20 -8.406 -0.979 -0.376 1.00 0.00 O ATOM 0 H GLY B 20 -4.986 -2.621 -1.664 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -6.235 -1.500 0.818 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -5.355 -0.601 -0.401 1.00 0.00 H new ATOM 616 N GLU B 21 -7.328 -1.057 -2.287 1.00 0.00 N ATOM 617 CA GLU B 21 -8.574 -0.780 -3.055 1.00 0.00 C ATOM 618 C GLU B 21 -9.716 -1.626 -2.490 1.00 0.00 C ATOM 619 O GLU B 21 -10.820 -1.152 -2.303 1.00 0.00 O ATOM 620 CB GLU B 21 -8.355 -1.137 -4.527 1.00 0.00 C ATOM 621 CG GLU B 21 -8.725 0.060 -5.404 1.00 0.00 C ATOM 622 CD GLU B 21 -10.231 0.053 -5.670 1.00 0.00 C ATOM 623 OE1 GLU B 21 -10.981 -0.052 -4.713 1.00 0.00 O ATOM 624 OE2 GLU B 21 -10.609 0.152 -6.825 1.00 0.00 O ATOM 0 H GLU B 21 -6.487 -1.176 -2.852 1.00 0.00 H new ATOM 0 HA GLU B 21 -8.827 0.277 -2.971 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -7.314 -1.415 -4.694 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -8.963 -2.001 -4.797 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -8.437 0.988 -4.911 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -8.179 0.016 -6.346 1.00 0.00 H new ATOM 631 N ARG B 22 -9.461 -2.876 -2.215 1.00 0.00 N ATOM 632 CA ARG B 22 -10.530 -3.750 -1.662 1.00 0.00 C ATOM 633 C ARG B 22 -11.071 -3.136 -0.371 1.00 0.00 C ATOM 634 O ARG B 22 -12.252 -3.189 -0.092 1.00 0.00 O ATOM 635 CB ARG B 22 -9.954 -5.137 -1.367 1.00 0.00 C ATOM 636 CG ARG B 22 -10.804 -6.202 -2.061 1.00 0.00 C ATOM 637 CD ARG B 22 -10.996 -7.394 -1.123 1.00 0.00 C ATOM 638 NE ARG B 22 -12.096 -8.258 -1.637 1.00 0.00 N ATOM 639 CZ ARG B 22 -12.173 -9.507 -1.264 1.00 0.00 C ATOM 640 NH1 ARG B 22 -11.877 -9.841 -0.038 1.00 0.00 N ATOM 641 NH2 ARG B 22 -12.547 -10.420 -2.118 1.00 0.00 N ATOM 0 H ARG B 22 -8.557 -3.329 -2.350 1.00 0.00 H new ATOM 0 HA ARG B 22 -11.338 -3.841 -2.388 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -8.923 -5.196 -1.716 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -9.937 -5.314 -0.292 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -11.772 -5.785 -2.339 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -10.320 -6.525 -2.982 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -10.072 -7.967 -1.052 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -11.233 -7.045 -0.118 1.00 0.00 H new ATOM 0 HE ARG B 22 -12.788 -7.874 -2.280 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -11.585 -9.126 0.629 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -11.937 -10.817 0.253 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -12.779 -10.158 -3.076 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -12.607 -11.396 -1.827 1.00 0.00 H new ATOM 655 N GLY B 23 -10.213 -2.553 0.418 1.00 0.00 N ATOM 656 CA GLY B 23 -10.672 -1.932 1.693 1.00 0.00 C ATOM 657 C GLY B 23 -10.486 -0.416 1.617 1.00 0.00 C ATOM 658 O GLY B 23 -10.407 0.261 2.623 1.00 0.00 O ATOM 0 H GLY B 23 -9.212 -2.479 0.236 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -11.720 -2.172 1.870 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -10.106 -2.337 2.532 1.00 0.00 H new ATOM 662 N PHE B 24 -10.415 0.123 0.430 1.00 0.00 N ATOM 663 CA PHE B 24 -10.233 1.596 0.288 1.00 0.00 C ATOM 664 C PHE B 24 -11.420 2.183 -0.479 1.00 0.00 C ATOM 665 O PHE B 24 -11.397 3.322 -0.902 1.00 0.00 O ATOM 666 CB PHE B 24 -8.940 1.878 -0.480 1.00 0.00 C ATOM 667 CG PHE B 24 -7.840 2.233 0.492 1.00 0.00 C ATOM 668 CD1 PHE B 24 -7.216 1.228 1.241 1.00 0.00 C ATOM 669 CD2 PHE B 24 -7.444 3.567 0.644 1.00 0.00 C ATOM 670 CE1 PHE B 24 -6.197 1.558 2.142 1.00 0.00 C ATOM 671 CE2 PHE B 24 -6.425 3.897 1.545 1.00 0.00 C ATOM 672 CZ PHE B 24 -5.801 2.892 2.294 1.00 0.00 C ATOM 0 H PHE B 24 -10.475 -0.393 -0.448 1.00 0.00 H new ATOM 0 HA PHE B 24 -10.176 2.053 1.276 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -8.654 1.003 -1.064 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -9.094 2.695 -1.184 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -7.521 0.199 1.124 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -7.925 4.342 0.066 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -5.716 0.783 2.720 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -6.120 4.926 1.662 1.00 0.00 H new ATOM 0 HZ PHE B 24 -5.014 3.146 2.989 1.00 0.00 H new ATOM 682 N PHE B 25 -12.457 1.413 -0.665 1.00 0.00 N ATOM 683 CA PHE B 25 -13.644 1.924 -1.407 1.00 0.00 C ATOM 684 C PHE B 25 -14.480 2.815 -0.486 1.00 0.00 C ATOM 685 O PHE B 25 -14.265 2.866 0.709 1.00 0.00 O ATOM 686 CB PHE B 25 -14.494 0.743 -1.881 1.00 0.00 C ATOM 687 CG PHE B 25 -14.658 0.807 -3.380 1.00 0.00 C ATOM 688 CD1 PHE B 25 -13.572 1.161 -4.190 1.00 0.00 C ATOM 689 CD2 PHE B 25 -15.897 0.512 -3.961 1.00 0.00 C ATOM 690 CE1 PHE B 25 -13.725 1.219 -5.580 1.00 0.00 C ATOM 691 CE2 PHE B 25 -16.050 0.570 -5.351 1.00 0.00 C ATOM 692 CZ PHE B 25 -14.964 0.924 -6.161 1.00 0.00 C ATOM 0 H PHE B 25 -12.533 0.451 -0.335 1.00 0.00 H new ATOM 0 HA PHE B 25 -13.311 2.504 -2.268 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -14.020 -0.197 -1.597 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -15.470 0.767 -1.397 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -12.616 1.389 -3.742 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -16.735 0.240 -3.337 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -12.887 1.491 -6.204 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -17.006 0.342 -5.799 1.00 0.00 H new ATOM 0 HZ PHE B 25 -15.082 0.969 -7.234 1.00 0.00 H new ATOM 702 N TYR B 26 -15.435 3.518 -1.033 1.00 0.00 N ATOM 703 CA TYR B 26 -16.287 4.404 -0.191 1.00 0.00 C ATOM 704 C TYR B 26 -17.244 3.544 0.643 1.00 0.00 C ATOM 705 O TYR B 26 -17.764 2.558 0.160 1.00 0.00 O ATOM 706 CB TYR B 26 -17.096 5.336 -1.097 1.00 0.00 C ATOM 707 CG TYR B 26 -17.760 6.405 -0.262 1.00 0.00 C ATOM 708 CD1 TYR B 26 -19.014 6.167 0.312 1.00 0.00 C ATOM 709 CD2 TYR B 26 -17.120 7.634 -0.061 1.00 0.00 C ATOM 710 CE1 TYR B 26 -19.629 7.158 1.086 1.00 0.00 C ATOM 711 CE2 TYR B 26 -17.735 8.625 0.713 1.00 0.00 C ATOM 712 CZ TYR B 26 -18.990 8.387 1.287 1.00 0.00 C ATOM 713 OH TYR B 26 -19.596 9.364 2.050 1.00 0.00 O ATOM 0 H TYR B 26 -15.661 3.516 -2.028 1.00 0.00 H new ATOM 0 HA TYR B 26 -15.658 4.996 0.473 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -16.443 5.794 -1.840 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -17.849 4.766 -1.642 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -19.507 5.219 0.158 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -16.152 7.817 -0.503 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -20.597 6.974 1.528 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -17.242 9.573 0.868 1.00 0.00 H new ATOM 0 HH TYR B 26 -19.017 10.154 2.090 1.00 0.00 H new ATOM 723 N PRO B 27 -17.448 3.943 1.875 1.00 0.00 N ATOM 724 CA PRO B 27 -18.339 3.224 2.802 1.00 0.00 C ATOM 725 C PRO B 27 -19.804 3.545 2.493 1.00 0.00 C ATOM 726 O PRO B 27 -20.144 4.653 2.129 1.00 0.00 O ATOM 727 CB PRO B 27 -17.938 3.765 4.177 1.00 0.00 C ATOM 728 CG PRO B 27 -17.268 5.137 3.927 1.00 0.00 C ATOM 729 CD PRO B 27 -16.813 5.144 2.456 1.00 0.00 C ATOM 0 HA PRO B 27 -18.246 2.140 2.733 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -18.810 3.870 4.823 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -17.251 3.083 4.678 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -17.967 5.950 4.120 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -16.419 5.281 4.596 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -17.134 6.051 1.944 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -15.727 5.099 2.375 1.00 0.00 H new ATOM 737 N THR B 28 -20.675 2.582 2.634 1.00 0.00 N ATOM 738 CA THR B 28 -22.115 2.832 2.348 1.00 0.00 C ATOM 739 C THR B 28 -22.975 1.890 3.193 1.00 0.00 C ATOM 740 O THR B 28 -23.790 1.149 2.679 1.00 0.00 O ATOM 741 CB THR B 28 -22.391 2.581 0.864 1.00 0.00 C ATOM 742 OG1 THR B 28 -21.272 1.930 0.280 1.00 0.00 O ATOM 743 CG2 THR B 28 -22.636 3.914 0.155 1.00 0.00 C ATOM 0 H THR B 28 -20.450 1.634 2.935 1.00 0.00 H new ATOM 0 HA THR B 28 -22.360 3.865 2.594 1.00 0.00 H new ATOM 0 HB THR B 28 -23.274 1.950 0.760 1.00 0.00 H new ATOM 0 HG1 THR B 28 -21.448 1.767 -0.670 1.00 0.00 H new ATOM 0 HG21 THR B 28 -22.832 3.733 -0.902 1.00 0.00 H new ATOM 0 HG22 THR B 28 -23.495 4.412 0.604 1.00 0.00 H new ATOM 0 HG23 THR B 28 -21.755 4.548 0.257 1.00 0.00 H new ATOM 751 N LYS B 29 -22.800 1.911 4.486 1.00 0.00 N ATOM 752 CA LYS B 29 -23.608 1.016 5.362 1.00 0.00 C ATOM 753 C LYS B 29 -25.034 1.561 5.471 1.00 0.00 C ATOM 754 O LYS B 29 -25.259 2.637 5.988 1.00 0.00 O ATOM 755 CB LYS B 29 -22.975 0.959 6.754 1.00 0.00 C ATOM 756 CG LYS B 29 -21.565 0.374 6.651 1.00 0.00 C ATOM 757 CD LYS B 29 -20.556 1.364 7.236 1.00 0.00 C ATOM 758 CE LYS B 29 -20.386 1.095 8.732 1.00 0.00 C ATOM 759 NZ LYS B 29 -19.444 2.095 9.312 1.00 0.00 N ATOM 0 H LYS B 29 -22.133 2.509 4.974 1.00 0.00 H new ATOM 0 HA LYS B 29 -23.634 0.014 4.934 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -22.935 1.958 7.188 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -23.586 0.348 7.418 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -21.513 -0.574 7.187 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -21.322 0.164 5.609 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -19.597 1.266 6.727 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -20.899 2.386 7.076 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -21.351 1.154 9.235 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -20.005 0.086 8.890 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -19.328 1.913 10.329 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -18.521 2.018 8.839 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -19.825 3.053 9.173 1.00 0.00 H new ATOM 773 N THR B 30 -25.998 0.826 4.987 1.00 0.00 N ATOM 774 CA THR B 30 -27.408 1.304 5.064 1.00 0.00 C ATOM 775 C THR B 30 -27.725 1.732 6.498 1.00 0.00 C ATOM 776 O THR B 30 -26.962 1.380 7.383 1.00 0.00 O ATOM 777 CB THR B 30 -28.353 0.173 4.649 1.00 0.00 C ATOM 778 OG1 THR B 30 -27.606 -1.020 4.456 1.00 0.00 O ATOM 779 CG2 THR B 30 -29.062 0.550 3.347 1.00 0.00 C ATOM 780 OXT THR B 30 -28.724 2.405 6.687 1.00 0.00 O ATOM 0 H THR B 30 -25.871 -0.083 4.542 1.00 0.00 H new ATOM 0 HA THR B 30 -27.540 2.154 4.394 1.00 0.00 H new ATOM 0 HB THR B 30 -29.095 0.014 5.431 1.00 0.00 H new ATOM 0 HG1 THR B 30 -28.210 -1.745 4.192 1.00 0.00 H new ATOM 0 HG21 THR B 30 -29.734 -0.256 3.052 1.00 0.00 H new ATOM 0 HG22 THR B 30 -29.635 1.465 3.497 1.00 0.00 H new ATOM 0 HG23 THR B 30 -28.322 0.710 2.563 1.00 0.00 H new TER 788 THR B 30