USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 382 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 -103:sc= 0.0613 USER MOD Set 1.2: A 15 GLN : amide:sc= 0 X(o=0.061,f=0.021) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 8 THR OG1 : rot -71:sc= 1.06 USER MOD Single : A 9 SER OG : rot 180:sc= 0.00343 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.144 K(o=-0.14,f=-1.8!) USER MOD Single : A 19 TYR OH : rot 47:sc= 0.297 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 33 ASN : amide:sc= -0.348 K(o=-0.35,f=-2.6) USER MOD Single : B 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 35 HIS : no HE2:sc= 0.902 K(o=0.9,f=-2.7!) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 HIS : no HD1:sc= -0.145 X(o=-0.14,f=-0.0029) USER MOD Single : B 46 TYR OH : rot 180:sc= 0 USER MOD Single : B 52 GLN : amide:sc= -0.0529 X(o=-0.053,f=-0.074) USER MOD Single : B 56 TYR OH : rot 180:sc= 0 USER MOD Single : B 57 THR OG1 : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.850 1.448 -5.332 1.00 25.00 N ATOM 2 CA GLY A 1 2.872 1.450 -4.233 1.00 25.00 C ATOM 3 C GLY A 1 3.942 0.368 -4.335 1.00 25.00 C ATOM 4 O GLY A 1 3.676 -0.755 -4.718 1.00 25.00 O ATOM 0 H1 GLY A 1 1.169 2.218 -5.174 1.00 25.00 H new ATOM 0 H2 GLY A 1 2.324 1.588 -6.247 1.00 25.00 H new ATOM 0 H3 GLY A 1 1.348 0.537 -5.338 1.00 25.00 H new ATOM 0 HA2 GLY A 1 3.363 2.423 -4.218 1.00 25.00 H new ATOM 0 HA3 GLY A 1 2.356 1.339 -3.279 1.00 25.00 H new ATOM 9 N ILE A 2 5.174 0.676 -3.970 1.00 25.00 N ATOM 10 CA ILE A 2 6.242 -0.356 -4.084 1.00 25.00 C ATOM 11 C ILE A 2 6.044 -1.529 -3.105 1.00 25.00 C ATOM 12 O ILE A 2 6.373 -2.683 -3.428 1.00 25.00 O ATOM 13 CB ILE A 2 7.634 0.297 -3.904 1.00 25.00 C ATOM 14 CG1 ILE A 2 8.775 -0.756 -4.186 1.00 25.00 C ATOM 15 CG2 ILE A 2 7.696 1.069 -2.528 1.00 25.00 C ATOM 16 CD1 ILE A 2 10.192 -0.136 -4.211 1.00 25.00 C ATOM 0 H ILE A 2 5.472 1.581 -3.606 1.00 25.00 H new ATOM 0 HA ILE A 2 6.177 -0.783 -5.085 1.00 25.00 H new ATOM 0 HB ILE A 2 7.811 1.073 -4.649 1.00 25.00 H new ATOM 0 HG12 ILE A 2 8.740 -1.532 -3.421 1.00 25.00 H new ATOM 0 HG13 ILE A 2 8.582 -1.242 -5.143 1.00 25.00 H new ATOM 0 HG21 ILE A 2 8.679 1.525 -2.411 1.00 25.00 H new ATOM 0 HG22 ILE A 2 6.932 1.846 -2.512 1.00 25.00 H new ATOM 0 HG23 ILE A 2 7.520 0.370 -1.710 1.00 25.00 H new ATOM 0 HD11 ILE A 2 10.927 -0.916 -4.410 1.00 25.00 H new ATOM 0 HD12 ILE A 2 10.245 0.620 -4.994 1.00 25.00 H new ATOM 0 HD13 ILE A 2 10.404 0.325 -3.247 1.00 25.00 H new ATOM 28 N VAL A 3 5.378 -1.273 -1.973 1.00 25.00 N ATOM 29 CA VAL A 3 5.171 -2.300 -0.953 1.00 25.00 C ATOM 30 C VAL A 3 4.195 -3.325 -1.526 1.00 25.00 C ATOM 31 O VAL A 3 4.442 -4.529 -1.383 1.00 25.00 O ATOM 32 CB VAL A 3 4.555 -1.716 0.320 1.00 25.00 C ATOM 33 CG1 VAL A 3 4.223 -2.823 1.407 1.00 25.00 C ATOM 34 CG2 VAL A 3 5.523 -0.683 0.951 1.00 25.00 C ATOM 0 H VAL A 3 4.975 -0.365 -1.743 1.00 25.00 H new ATOM 0 HA VAL A 3 6.134 -2.741 -0.695 1.00 25.00 H new ATOM 0 HB VAL A 3 3.619 -1.243 0.022 1.00 25.00 H new ATOM 0 HG11 VAL A 3 3.789 -2.350 2.287 1.00 25.00 H new ATOM 0 HG12 VAL A 3 3.513 -3.539 0.992 1.00 25.00 H new ATOM 0 HG13 VAL A 3 5.139 -3.342 1.689 1.00 25.00 H new ATOM 0 HG21 VAL A 3 5.077 -0.272 1.857 1.00 25.00 H new ATOM 0 HG22 VAL A 3 6.465 -1.172 1.200 1.00 25.00 H new ATOM 0 HG23 VAL A 3 5.709 0.122 0.241 1.00 25.00 H new ATOM 44 N GLU A 4 3.138 -2.864 -2.155 1.00 25.00 N ATOM 45 CA GLU A 4 2.170 -3.765 -2.730 1.00 25.00 C ATOM 46 C GLU A 4 2.677 -4.414 -3.985 1.00 25.00 C ATOM 47 O GLU A 4 2.326 -5.540 -4.255 1.00 25.00 O ATOM 48 CB GLU A 4 0.820 -3.065 -2.964 1.00 25.00 C ATOM 49 CG GLU A 4 0.817 -1.941 -4.048 1.00 25.00 C ATOM 50 CD GLU A 4 -0.560 -1.334 -4.235 1.00 25.00 C ATOM 51 OE1 GLU A 4 -1.144 -1.298 -5.260 1.00 25.00 O ATOM 52 OE2 GLU A 4 -1.133 -0.943 -3.148 1.00 25.00 O ATOM 0 H GLU A 4 2.929 -1.874 -2.280 1.00 25.00 H new ATOM 0 HA GLU A 4 2.008 -4.562 -2.004 1.00 25.00 H new ATOM 0 HB2 GLU A 4 0.085 -3.819 -3.247 1.00 25.00 H new ATOM 0 HB3 GLU A 4 0.487 -2.634 -2.020 1.00 25.00 H new ATOM 0 HG2 GLU A 4 1.521 -1.160 -3.762 1.00 25.00 H new ATOM 0 HG3 GLU A 4 1.164 -2.351 -4.996 1.00 25.00 H new ATOM 60 N GLN A 5 3.550 -3.737 -4.726 1.00 25.00 N ATOM 61 CA GLN A 5 4.102 -4.332 -5.964 1.00 25.00 C ATOM 62 C GLN A 5 4.922 -5.529 -5.541 1.00 25.00 C ATOM 63 O GLN A 5 4.830 -6.609 -6.122 1.00 25.00 O ATOM 64 CB GLN A 5 4.926 -3.290 -6.748 1.00 25.00 C ATOM 65 CG GLN A 5 4.157 -2.412 -7.782 1.00 25.00 C ATOM 66 CD GLN A 5 4.054 -3.121 -9.148 1.00 25.00 C ATOM 67 OE1 GLN A 5 3.489 -4.177 -9.226 1.00 25.00 O ATOM 68 NE2 GLN A 5 4.581 -2.523 -10.193 1.00 25.00 N ATOM 0 H GLN A 5 3.890 -2.800 -4.509 1.00 25.00 H new ATOM 0 HA GLN A 5 3.313 -4.652 -6.645 1.00 25.00 H new ATOM 0 HB2 GLN A 5 5.404 -2.625 -6.029 1.00 25.00 H new ATOM 0 HB3 GLN A 5 5.722 -3.815 -7.275 1.00 25.00 H new ATOM 0 HG2 GLN A 5 3.157 -2.194 -7.406 1.00 25.00 H new ATOM 0 HG3 GLN A 5 4.667 -1.456 -7.903 1.00 25.00 H new ATOM 0 HE21 GLN A 5 5.053 -1.625 -10.083 1.00 25.00 H new ATOM 0 HE22 GLN A 5 4.518 -2.956 -11.114 1.00 25.00 H new ATOM 77 N CYS A 6 5.721 -5.385 -4.489 1.00 25.00 N ATOM 78 CA CYS A 6 6.567 -6.564 -4.082 1.00 25.00 C ATOM 79 C CYS A 6 5.669 -7.610 -3.366 1.00 25.00 C ATOM 80 O CYS A 6 5.653 -8.771 -3.768 1.00 25.00 O ATOM 81 CB CYS A 6 7.705 -6.128 -3.166 1.00 25.00 C ATOM 82 SG CYS A 6 9.078 -7.321 -3.088 1.00 25.00 S ATOM 0 H CYS A 6 5.819 -4.543 -3.922 1.00 25.00 H new ATOM 0 HA CYS A 6 7.009 -7.009 -4.973 1.00 25.00 H new ATOM 0 HB2 CYS A 6 8.089 -5.167 -3.510 1.00 25.00 H new ATOM 0 HB3 CYS A 6 7.312 -5.973 -2.161 1.00 25.00 H new ATOM 87 N CYS A 7 4.966 -7.210 -2.302 1.00 25.00 N ATOM 88 CA CYS A 7 4.217 -8.177 -1.457 1.00 25.00 C ATOM 89 C CYS A 7 3.236 -9.076 -2.172 1.00 25.00 C ATOM 90 O CYS A 7 3.203 -10.296 -1.913 1.00 25.00 O ATOM 91 CB CYS A 7 3.420 -7.444 -0.369 1.00 25.00 C ATOM 92 SG CYS A 7 2.173 -8.442 0.553 1.00 25.00 S ATOM 0 H CYS A 7 4.893 -6.239 -1.999 1.00 25.00 H new ATOM 0 HA CYS A 7 5.009 -8.812 -1.060 1.00 25.00 H new ATOM 0 HB2 CYS A 7 4.126 -7.031 0.351 1.00 25.00 H new ATOM 0 HB3 CYS A 7 2.907 -6.601 -0.832 1.00 25.00 H new ATOM 97 N THR A 8 2.420 -8.516 -3.057 1.00 25.00 N ATOM 98 CA THR A 8 1.363 -9.313 -3.676 1.00 25.00 C ATOM 99 C THR A 8 2.040 -10.261 -4.629 1.00 25.00 C ATOM 100 O THR A 8 3.018 -9.911 -5.191 1.00 25.00 O ATOM 101 CB THR A 8 0.273 -8.455 -4.393 1.00 25.00 C ATOM 102 OG1 THR A 8 0.855 -7.636 -5.414 1.00 25.00 O ATOM 103 CG2 THR A 8 -0.473 -7.540 -3.424 1.00 25.00 C ATOM 0 H THR A 8 2.464 -7.542 -3.357 1.00 25.00 H new ATOM 0 HA THR A 8 0.814 -9.850 -2.903 1.00 25.00 H new ATOM 0 HB THR A 8 -0.431 -9.165 -4.828 1.00 25.00 H new ATOM 0 HG1 THR A 8 1.377 -6.918 -4.999 1.00 25.00 H new ATOM 0 HG21 THR A 8 -1.220 -6.964 -3.970 1.00 25.00 H new ATOM 0 HG22 THR A 8 -0.966 -8.143 -2.661 1.00 25.00 H new ATOM 0 HG23 THR A 8 0.234 -6.860 -2.949 1.00 25.00 H new ATOM 111 N SER A 9 1.516 -11.471 -4.786 1.00 25.00 N ATOM 112 CA SER A 9 2.199 -12.469 -5.585 1.00 25.00 C ATOM 113 C SER A 9 3.685 -12.606 -5.162 1.00 25.00 C ATOM 114 O SER A 9 3.986 -12.764 -3.944 1.00 25.00 O ATOM 115 CB SER A 9 2.081 -12.143 -7.089 1.00 25.00 C ATOM 116 OG SER A 9 2.341 -13.312 -7.855 1.00 25.00 O ATOM 0 H SER A 9 0.634 -11.777 -4.376 1.00 25.00 H new ATOM 0 HA SER A 9 1.714 -13.429 -5.407 1.00 25.00 H new ATOM 0 HB2 SER A 9 1.083 -11.765 -7.312 1.00 25.00 H new ATOM 0 HB3 SER A 9 2.787 -11.357 -7.357 1.00 25.00 H new ATOM 0 HG SER A 9 2.264 -13.102 -8.809 1.00 25.00 H new ATOM 122 N ILE A 10 4.576 -12.647 -6.103 1.00 25.00 N ATOM 123 CA ILE A 10 6.009 -12.924 -5.845 1.00 25.00 C ATOM 124 C ILE A 10 6.852 -11.598 -5.748 1.00 25.00 C ATOM 125 O ILE A 10 6.817 -10.758 -6.667 1.00 25.00 O ATOM 126 CB ILE A 10 6.603 -13.821 -6.980 1.00 25.00 C ATOM 127 CG1 ILE A 10 5.845 -15.192 -7.079 1.00 25.00 C ATOM 128 CG2 ILE A 10 8.117 -14.080 -6.778 1.00 25.00 C ATOM 129 CD1 ILE A 10 6.143 -16.257 -5.971 1.00 25.00 C ATOM 0 H ILE A 10 4.358 -12.492 -7.087 1.00 25.00 H new ATOM 0 HA ILE A 10 6.068 -13.444 -4.889 1.00 25.00 H new ATOM 0 HB ILE A 10 6.468 -13.272 -7.912 1.00 25.00 H new ATOM 0 HG12 ILE A 10 4.774 -14.987 -7.071 1.00 25.00 H new ATOM 0 HG13 ILE A 10 6.077 -15.637 -8.046 1.00 25.00 H new ATOM 0 HG21 ILE A 10 8.490 -14.707 -7.588 1.00 25.00 H new ATOM 0 HG22 ILE A 10 8.652 -13.130 -6.778 1.00 25.00 H new ATOM 0 HG23 ILE A 10 8.276 -14.585 -5.825 1.00 25.00 H new ATOM 0 HD11 ILE A 10 5.554 -17.154 -6.161 1.00 25.00 H new ATOM 0 HD12 ILE A 10 7.203 -16.510 -5.985 1.00 25.00 H new ATOM 0 HD13 ILE A 10 5.880 -15.850 -4.995 1.00 25.00 H new ATOM 141 N CYS A 11 7.609 -11.471 -4.658 1.00 25.00 N ATOM 142 CA CYS A 11 8.543 -10.377 -4.446 1.00 25.00 C ATOM 143 C CYS A 11 9.860 -10.662 -5.138 1.00 25.00 C ATOM 144 O CYS A 11 10.307 -11.797 -5.183 1.00 25.00 O ATOM 145 CB CYS A 11 8.821 -10.350 -2.957 1.00 25.00 C ATOM 146 SG CYS A 11 8.302 -8.870 -2.065 1.00 25.00 S ATOM 0 H CYS A 11 7.586 -12.139 -3.888 1.00 25.00 H new ATOM 0 HA CYS A 11 8.128 -9.445 -4.830 1.00 25.00 H new ATOM 0 HB2 CYS A 11 8.330 -11.211 -2.503 1.00 25.00 H new ATOM 0 HB3 CYS A 11 9.893 -10.479 -2.808 1.00 25.00 H new ATOM 151 N SER A 12 10.473 -9.653 -5.703 1.00 25.00 N ATOM 152 CA SER A 12 11.771 -9.814 -6.381 1.00 25.00 C ATOM 153 C SER A 12 12.872 -8.953 -5.785 1.00 25.00 C ATOM 154 O SER A 12 12.584 -7.914 -5.138 1.00 25.00 O ATOM 155 CB SER A 12 11.642 -9.441 -7.836 1.00 25.00 C ATOM 156 OG SER A 12 11.666 -8.043 -7.950 1.00 25.00 O ATOM 0 H SER A 12 10.107 -8.701 -5.716 1.00 25.00 H new ATOM 0 HA SER A 12 12.045 -10.861 -6.253 1.00 25.00 H new ATOM 0 HB2 SER A 12 12.457 -9.880 -8.412 1.00 25.00 H new ATOM 0 HB3 SER A 12 10.713 -9.837 -8.246 1.00 25.00 H new ATOM 0 HG SER A 12 10.756 -7.712 -8.103 1.00 25.00 H new ATOM 162 N LEU A 13 14.126 -9.364 -6.033 1.00 25.00 N ATOM 163 CA LEU A 13 15.270 -8.635 -5.599 1.00 25.00 C ATOM 164 C LEU A 13 15.344 -7.231 -6.210 1.00 25.00 C ATOM 165 O LEU A 13 15.887 -6.331 -5.600 1.00 25.00 O ATOM 166 CB LEU A 13 16.518 -9.407 -5.959 1.00 25.00 C ATOM 167 CG LEU A 13 17.833 -8.821 -5.411 1.00 25.00 C ATOM 168 CD1 LEU A 13 17.963 -8.890 -3.894 1.00 25.00 C ATOM 169 CD2 LEU A 13 19.025 -9.677 -6.018 1.00 25.00 C ATOM 0 H LEU A 13 14.348 -10.218 -6.544 1.00 25.00 H new ATOM 0 HA LEU A 13 15.189 -8.512 -4.519 1.00 25.00 H new ATOM 0 HB2 LEU A 13 16.413 -10.428 -5.592 1.00 25.00 H new ATOM 0 HB3 LEU A 13 16.589 -9.465 -7.045 1.00 25.00 H new ATOM 0 HG LEU A 13 17.852 -7.768 -5.692 1.00 25.00 H new ATOM 0 HD11 LEU A 13 18.916 -8.457 -3.590 1.00 25.00 H new ATOM 0 HD12 LEU A 13 17.148 -8.332 -3.433 1.00 25.00 H new ATOM 0 HD13 LEU A 13 17.918 -9.930 -3.572 1.00 25.00 H new ATOM 0 HD21 LEU A 13 19.975 -9.289 -5.651 1.00 25.00 H new ATOM 0 HD22 LEU A 13 18.916 -10.718 -5.715 1.00 25.00 H new ATOM 0 HD23 LEU A 13 19.003 -9.612 -7.106 1.00 25.00 H new ATOM 181 N TYR A 14 14.756 -7.033 -7.374 1.00 25.00 N ATOM 182 CA TYR A 14 14.813 -5.736 -8.030 1.00 25.00 C ATOM 183 C TYR A 14 14.002 -4.743 -7.230 1.00 25.00 C ATOM 184 O TYR A 14 14.497 -3.687 -6.864 1.00 25.00 O ATOM 185 CB TYR A 14 14.332 -5.861 -9.474 1.00 25.00 C ATOM 186 CG TYR A 14 14.030 -4.588 -10.174 1.00 25.00 C ATOM 187 CD1 TYR A 14 15.008 -3.770 -10.771 1.00 25.00 C ATOM 188 CD2 TYR A 14 12.687 -4.133 -10.249 1.00 25.00 C ATOM 189 CE1 TYR A 14 14.656 -2.564 -11.383 1.00 25.00 C ATOM 190 CE2 TYR A 14 12.339 -2.929 -10.858 1.00 25.00 C ATOM 191 CZ TYR A 14 13.325 -2.161 -11.424 1.00 25.00 C ATOM 192 OH TYR A 14 12.997 -1.006 -12.023 1.00 25.00 O ATOM 0 H TYR A 14 14.236 -7.747 -7.884 1.00 25.00 H new ATOM 0 HA TYR A 14 15.839 -5.371 -8.070 1.00 25.00 H new ATOM 0 HB2 TYR A 14 15.093 -6.394 -10.044 1.00 25.00 H new ATOM 0 HB3 TYR A 14 13.435 -6.480 -9.484 1.00 25.00 H new ATOM 0 HD1 TYR A 14 16.043 -4.078 -10.756 1.00 25.00 H new ATOM 0 HD2 TYR A 14 11.907 -4.743 -9.818 1.00 25.00 H new ATOM 0 HE1 TYR A 14 15.420 -1.942 -11.826 1.00 25.00 H new ATOM 0 HE2 TYR A 14 11.309 -2.605 -10.884 1.00 25.00 H new ATOM 0 HH TYR A 14 12.028 -0.871 -11.966 1.00 25.00 H new ATOM 202 N GLN A 15 12.809 -5.159 -6.875 1.00 25.00 N ATOM 203 CA GLN A 15 11.959 -4.358 -6.008 1.00 25.00 C ATOM 204 C GLN A 15 12.630 -4.114 -4.635 1.00 25.00 C ATOM 205 O GLN A 15 12.565 -3.058 -4.103 1.00 25.00 O ATOM 206 CB GLN A 15 10.608 -5.035 -5.794 1.00 25.00 C ATOM 207 CG GLN A 15 9.444 -4.329 -6.556 1.00 25.00 C ATOM 208 CD GLN A 15 9.527 -4.566 -8.059 1.00 25.00 C ATOM 209 OE1 GLN A 15 9.596 -5.662 -8.506 1.00 25.00 O ATOM 210 NE2 GLN A 15 9.518 -3.507 -8.821 1.00 25.00 N ATOM 0 H GLN A 15 12.400 -6.046 -7.170 1.00 25.00 H new ATOM 0 HA GLN A 15 11.807 -3.399 -6.503 1.00 25.00 H new ATOM 0 HB2 GLN A 15 10.672 -6.073 -6.121 1.00 25.00 H new ATOM 0 HB3 GLN A 15 10.380 -5.050 -4.728 1.00 25.00 H new ATOM 0 HG2 GLN A 15 8.489 -4.697 -6.182 1.00 25.00 H new ATOM 0 HG3 GLN A 15 9.474 -3.258 -6.354 1.00 25.00 H new ATOM 0 HE21 GLN A 15 9.458 -2.579 -8.403 1.00 25.00 H new ATOM 0 HE22 GLN A 15 9.571 -3.608 -9.835 1.00 25.00 H new ATOM 219 N LEU A 16 13.295 -5.141 -4.079 1.00 25.00 N ATOM 220 CA LEU A 16 13.893 -5.042 -2.731 1.00 25.00 C ATOM 221 C LEU A 16 14.967 -4.008 -2.650 1.00 25.00 C ATOM 222 O LEU A 16 14.978 -3.178 -1.729 1.00 25.00 O ATOM 223 CB LEU A 16 14.465 -6.381 -2.267 1.00 25.00 C ATOM 224 CG LEU A 16 13.693 -6.953 -1.062 1.00 25.00 C ATOM 225 CD1 LEU A 16 12.303 -7.486 -1.485 1.00 25.00 C ATOM 226 CD2 LEU A 16 14.455 -8.053 -0.349 1.00 25.00 C ATOM 0 H LEU A 16 13.433 -6.043 -4.535 1.00 25.00 H new ATOM 0 HA LEU A 16 13.076 -4.745 -2.074 1.00 25.00 H new ATOM 0 HB2 LEU A 16 14.431 -7.094 -3.091 1.00 25.00 H new ATOM 0 HB3 LEU A 16 15.514 -6.254 -1.998 1.00 25.00 H new ATOM 0 HG LEU A 16 13.568 -6.123 -0.367 1.00 25.00 H new ATOM 0 HD11 LEU A 16 11.784 -7.882 -0.612 1.00 25.00 H new ATOM 0 HD12 LEU A 16 11.718 -6.674 -1.917 1.00 25.00 H new ATOM 0 HD13 LEU A 16 12.426 -8.277 -2.224 1.00 25.00 H new ATOM 0 HD21 LEU A 16 13.865 -8.419 0.491 1.00 25.00 H new ATOM 0 HD22 LEU A 16 14.646 -8.872 -1.043 1.00 25.00 H new ATOM 0 HD23 LEU A 16 15.403 -7.660 0.018 1.00 25.00 H new ATOM 238 N GLU A 17 15.853 -4.052 -3.626 1.00 25.00 N ATOM 239 CA GLU A 17 16.932 -3.109 -3.696 1.00 25.00 C ATOM 240 C GLU A 17 16.367 -1.718 -3.953 1.00 25.00 C ATOM 241 O GLU A 17 16.960 -0.713 -3.493 1.00 25.00 O ATOM 242 CB GLU A 17 17.935 -3.407 -4.783 1.00 25.00 C ATOM 243 CG GLU A 17 18.743 -4.714 -4.433 1.00 25.00 C ATOM 244 CD GLU A 17 19.920 -4.950 -5.370 1.00 25.00 C ATOM 245 OE1 GLU A 17 19.835 -5.495 -6.460 1.00 25.00 O ATOM 246 OE2 GLU A 17 21.055 -4.614 -4.868 1.00 25.00 O ATOM 0 H GLU A 17 15.839 -4.738 -4.381 1.00 25.00 H new ATOM 0 HA GLU A 17 17.453 -3.175 -2.741 1.00 25.00 H new ATOM 0 HB2 GLU A 17 17.422 -3.532 -5.737 1.00 25.00 H new ATOM 0 HB3 GLU A 17 18.620 -2.567 -4.897 1.00 25.00 H new ATOM 0 HG2 GLU A 17 19.108 -4.646 -3.408 1.00 25.00 H new ATOM 0 HG3 GLU A 17 18.073 -5.572 -4.476 1.00 25.00 H new ATOM 254 N ASN A 18 15.213 -1.609 -4.560 1.00 25.00 N ATOM 255 CA ASN A 18 14.683 -0.306 -4.874 1.00 25.00 C ATOM 256 C ASN A 18 14.091 0.363 -3.632 1.00 25.00 C ATOM 257 O ASN A 18 13.868 1.588 -3.658 1.00 25.00 O ATOM 258 CB ASN A 18 13.628 -0.439 -5.973 1.00 25.00 C ATOM 259 CG ASN A 18 13.721 0.620 -7.062 1.00 25.00 C ATOM 260 OD1 ASN A 18 14.673 1.312 -7.218 1.00 25.00 O ATOM 261 ND2 ASN A 18 12.678 0.726 -7.813 1.00 25.00 N ATOM 0 H ASN A 18 14.628 -2.395 -4.844 1.00 25.00 H new ATOM 0 HA ASN A 18 15.495 0.328 -5.230 1.00 25.00 H new ATOM 0 HB2 ASN A 18 13.720 -1.424 -6.431 1.00 25.00 H new ATOM 0 HB3 ASN A 18 12.639 -0.390 -5.518 1.00 25.00 H new ATOM 0 HD21 ASN A 18 12.658 1.417 -8.563 1.00 25.00 H new ATOM 0 HD22 ASN A 18 11.873 0.119 -7.657 1.00 25.00 H new ATOM 268 N TYR A 19 13.939 -0.373 -2.529 1.00 25.00 N ATOM 269 CA TYR A 19 13.572 0.250 -1.260 1.00 25.00 C ATOM 270 C TYR A 19 14.784 1.047 -0.713 1.00 25.00 C ATOM 271 O TYR A 19 14.646 1.943 0.067 1.00 25.00 O ATOM 272 CB TYR A 19 13.144 -0.790 -0.201 1.00 25.00 C ATOM 273 CG TYR A 19 11.828 -1.499 -0.535 1.00 25.00 C ATOM 274 CD1 TYR A 19 10.604 -0.824 -0.632 1.00 25.00 C ATOM 275 CD2 TYR A 19 11.826 -2.903 -0.758 1.00 25.00 C ATOM 276 CE1 TYR A 19 9.435 -1.526 -0.922 1.00 25.00 C ATOM 277 CE2 TYR A 19 10.624 -3.616 -0.993 1.00 25.00 C ATOM 278 CZ TYR A 19 9.449 -2.921 -1.092 1.00 25.00 C ATOM 279 OH TYR A 19 8.323 -3.642 -1.360 1.00 25.00 O ATOM 0 H TYR A 19 14.062 -1.385 -2.490 1.00 25.00 H new ATOM 0 HA TYR A 19 12.724 0.907 -1.450 1.00 25.00 H new ATOM 0 HB2 TYR A 19 13.932 -1.535 -0.097 1.00 25.00 H new ATOM 0 HB3 TYR A 19 13.045 -0.294 0.764 1.00 25.00 H new ATOM 0 HD1 TYR A 19 10.566 0.245 -0.481 1.00 25.00 H new ATOM 0 HD2 TYR A 19 12.763 -3.439 -0.748 1.00 25.00 H new ATOM 0 HE1 TYR A 19 8.503 -0.989 -1.018 1.00 25.00 H new ATOM 0 HE2 TYR A 19 10.635 -4.691 -1.092 1.00 25.00 H new ATOM 0 HH TYR A 19 7.818 -3.205 -2.077 1.00 25.00 H new ATOM 289 N CYS A 20 15.941 0.730 -1.235 1.00 25.00 N ATOM 290 CA CYS A 20 17.184 1.469 -0.959 1.00 25.00 C ATOM 291 C CYS A 20 17.761 2.066 -2.242 1.00 25.00 C ATOM 292 O CYS A 20 18.918 1.808 -2.599 1.00 25.00 O ATOM 293 CB CYS A 20 18.240 0.606 -0.350 1.00 25.00 C ATOM 294 SG CYS A 20 17.814 -0.082 1.234 1.00 25.00 S ATOM 0 H CYS A 20 16.067 -0.055 -1.874 1.00 25.00 H new ATOM 0 HA CYS A 20 16.910 2.254 -0.254 1.00 25.00 H new ATOM 0 HB2 CYS A 20 18.464 -0.210 -1.037 1.00 25.00 H new ATOM 0 HB3 CYS A 20 19.152 1.192 -0.243 1.00 25.00 H new ATOM 299 N ASN A 21 16.912 2.903 -2.863 1.00 25.00 N ATOM 300 CA ASN A 21 17.203 3.697 -4.101 1.00 25.00 C ATOM 301 C ASN A 21 18.683 4.085 -4.286 1.00 25.00 C ATOM 302 O ASN A 21 19.330 3.784 -5.269 1.00 25.00 O ATOM 303 CB ASN A 21 16.297 4.966 -4.157 1.00 25.00 C ATOM 304 CG ASN A 21 16.598 5.692 -5.486 1.00 25.00 C ATOM 305 OD1 ASN A 21 16.402 5.230 -6.588 1.00 25.00 O ATOM 306 ND2 ASN A 21 17.095 6.928 -5.357 1.00 25.00 N ATOM 307 OXT ASN A 21 19.171 4.832 -3.325 1.00 25.00 O ATOM 0 H ASN A 21 15.966 3.061 -2.515 1.00 25.00 H new ATOM 0 HA ASN A 21 16.973 3.032 -4.933 1.00 25.00 H new ATOM 0 HB2 ASN A 21 15.244 4.688 -4.101 1.00 25.00 H new ATOM 0 HB3 ASN A 21 16.500 5.620 -3.309 1.00 25.00 H new ATOM 0 HD21 ASN A 21 17.309 7.481 -6.187 1.00 25.00 H new ATOM 0 HD22 ASN A 21 17.260 7.317 -4.429 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 31 20.133 -14.869 -3.498 1.00 25.00 N ATOM 317 CA PHE B 31 18.700 -14.447 -3.286 1.00 25.00 C ATOM 318 C PHE B 31 17.673 -15.305 -4.039 1.00 25.00 C ATOM 319 O PHE B 31 17.875 -15.791 -5.124 1.00 25.00 O ATOM 320 CB PHE B 31 18.513 -12.956 -3.642 1.00 25.00 C ATOM 321 CG PHE B 31 17.177 -12.406 -3.169 1.00 25.00 C ATOM 322 CD1 PHE B 31 17.058 -11.891 -1.879 1.00 25.00 C ATOM 323 CD2 PHE B 31 16.030 -12.392 -3.941 1.00 25.00 C ATOM 324 CE1 PHE B 31 15.884 -11.376 -1.365 1.00 25.00 C ATOM 325 CE2 PHE B 31 14.830 -11.894 -3.466 1.00 25.00 C ATOM 326 CZ PHE B 31 14.716 -11.406 -2.151 1.00 25.00 C ATOM 0 HA PHE B 31 18.503 -14.603 -2.225 1.00 25.00 H new ATOM 0 HB2 PHE B 31 19.320 -12.375 -3.195 1.00 25.00 H new ATOM 0 HB3 PHE B 31 18.591 -12.831 -4.722 1.00 25.00 H new ATOM 0 HD1 PHE B 31 17.933 -11.895 -1.246 1.00 25.00 H new ATOM 0 HD2 PHE B 31 16.072 -12.782 -4.947 1.00 25.00 H new ATOM 0 HE1 PHE B 31 15.862 -10.955 -0.371 1.00 25.00 H new ATOM 0 HE2 PHE B 31 13.967 -11.879 -4.115 1.00 25.00 H new ATOM 0 HZ PHE B 31 13.768 -11.067 -1.759 1.00 25.00 H new ATOM 337 N VAL B 32 16.519 -15.522 -3.351 1.00 25.00 N ATOM 338 CA VAL B 32 15.479 -16.298 -3.959 1.00 25.00 C ATOM 339 C VAL B 32 14.215 -15.420 -3.945 1.00 25.00 C ATOM 340 O VAL B 32 13.859 -14.807 -2.894 1.00 25.00 O ATOM 341 CB VAL B 32 15.293 -17.720 -3.242 1.00 25.00 C ATOM 342 CG1 VAL B 32 15.050 -17.615 -1.727 1.00 25.00 C ATOM 343 CG2 VAL B 32 14.114 -18.509 -3.893 1.00 25.00 C ATOM 0 H VAL B 32 16.318 -15.173 -2.414 1.00 25.00 H new ATOM 0 HA VAL B 32 15.726 -16.561 -4.988 1.00 25.00 H new ATOM 0 HB VAL B 32 16.234 -18.251 -3.385 1.00 25.00 H new ATOM 0 HG11 VAL B 32 14.933 -18.614 -1.307 1.00 25.00 H new ATOM 0 HG12 VAL B 32 15.899 -17.120 -1.256 1.00 25.00 H new ATOM 0 HG13 VAL B 32 14.145 -17.036 -1.543 1.00 25.00 H new ATOM 0 HG21 VAL B 32 14.001 -19.472 -3.395 1.00 25.00 H new ATOM 0 HG22 VAL B 32 13.192 -17.937 -3.789 1.00 25.00 H new ATOM 0 HG23 VAL B 32 14.324 -18.670 -4.950 1.00 25.00 H new ATOM 353 N ASN B 33 13.476 -15.449 -5.076 1.00 25.00 N ATOM 354 CA ASN B 33 12.193 -14.736 -5.148 1.00 25.00 C ATOM 355 C ASN B 33 11.051 -15.634 -4.584 1.00 25.00 C ATOM 356 O ASN B 33 10.922 -16.796 -4.930 1.00 25.00 O ATOM 357 CB ASN B 33 11.886 -14.337 -6.592 1.00 25.00 C ATOM 358 CG ASN B 33 12.906 -13.419 -7.177 1.00 25.00 C ATOM 359 OD1 ASN B 33 13.571 -12.666 -6.486 1.00 25.00 O ATOM 360 ND2 ASN B 33 13.005 -13.417 -8.500 1.00 25.00 N ATOM 0 H ASN B 33 13.741 -15.945 -5.927 1.00 25.00 H new ATOM 0 HA ASN B 33 12.261 -13.831 -4.545 1.00 25.00 H new ATOM 0 HB2 ASN B 33 11.822 -15.236 -7.205 1.00 25.00 H new ATOM 0 HB3 ASN B 33 10.909 -13.855 -6.629 1.00 25.00 H new ATOM 0 HD21 ASN B 33 13.649 -12.775 -8.962 1.00 25.00 H new ATOM 0 HD22 ASN B 33 12.437 -14.057 -9.055 1.00 25.00 H new ATOM 367 N GLN B 34 10.354 -15.084 -3.559 1.00 25.00 N ATOM 368 CA GLN B 34 9.351 -15.791 -2.749 1.00 25.00 C ATOM 369 C GLN B 34 8.135 -14.861 -2.413 1.00 25.00 C ATOM 370 O GLN B 34 8.162 -13.690 -2.760 1.00 25.00 O ATOM 371 CB GLN B 34 9.982 -16.187 -1.404 1.00 25.00 C ATOM 372 CG GLN B 34 11.214 -17.117 -1.570 1.00 25.00 C ATOM 373 CD GLN B 34 11.644 -17.641 -0.235 1.00 25.00 C ATOM 374 OE1 GLN B 34 12.083 -16.884 0.641 1.00 25.00 O ATOM 375 NE2 GLN B 34 11.442 -18.944 0.006 1.00 25.00 N ATOM 0 H GLN B 34 10.482 -14.114 -3.272 1.00 25.00 H new ATOM 0 HA GLN B 34 9.015 -16.657 -3.320 1.00 25.00 H new ATOM 0 HB2 GLN B 34 10.282 -15.286 -0.869 1.00 25.00 H new ATOM 0 HB3 GLN B 34 9.234 -16.688 -0.790 1.00 25.00 H new ATOM 0 HG2 GLN B 34 10.967 -17.946 -2.233 1.00 25.00 H new ATOM 0 HG3 GLN B 34 12.033 -16.569 -2.036 1.00 25.00 H new ATOM 0 HE21 GLN B 34 11.079 -19.549 -0.731 1.00 25.00 H new ATOM 0 HE22 GLN B 34 11.651 -19.331 0.926 1.00 25.00 H new ATOM 384 N HIS B 35 7.105 -15.382 -1.734 1.00 25.00 N ATOM 385 CA HIS B 35 5.969 -14.549 -1.284 1.00 25.00 C ATOM 386 C HIS B 35 6.330 -13.724 -0.047 1.00 25.00 C ATOM 387 O HIS B 35 5.717 -13.850 0.988 1.00 25.00 O ATOM 388 CB HIS B 35 4.742 -15.408 -0.989 1.00 25.00 C ATOM 389 CG HIS B 35 4.142 -16.128 -2.176 1.00 25.00 C ATOM 390 ND1 HIS B 35 3.569 -15.488 -3.268 1.00 25.00 N ATOM 391 CD2 HIS B 35 3.996 -17.464 -2.449 1.00 25.00 C ATOM 392 CE1 HIS B 35 3.164 -16.391 -4.142 1.00 25.00 C ATOM 393 NE2 HIS B 35 3.368 -17.595 -3.660 1.00 25.00 N ATOM 0 H HIS B 35 7.029 -16.368 -1.483 1.00 25.00 H new ATOM 0 HA HIS B 35 5.735 -13.864 -2.099 1.00 25.00 H new ATOM 0 HB2 HIS B 35 5.013 -16.149 -0.237 1.00 25.00 H new ATOM 0 HB3 HIS B 35 3.974 -14.772 -0.548 1.00 25.00 H new ATOM 0 HD1 HIS B 35 3.476 -14.478 -3.377 1.00 25.00 H new ATOM 0 HD2 HIS B 35 4.321 -18.276 -1.816 1.00 25.00 H new ATOM 0 HE1 HIS B 35 2.731 -16.172 -5.107 1.00 25.00 H new ATOM 402 N LEU B 36 7.395 -12.948 -0.133 1.00 25.00 N ATOM 403 CA LEU B 36 7.896 -12.186 1.008 1.00 25.00 C ATOM 404 C LEU B 36 6.923 -11.050 1.218 1.00 25.00 C ATOM 405 O LEU B 36 6.755 -10.231 0.350 1.00 25.00 O ATOM 406 CB LEU B 36 9.286 -11.611 0.743 1.00 25.00 C ATOM 407 CG LEU B 36 10.387 -12.676 0.564 1.00 25.00 C ATOM 408 CD1 LEU B 36 11.743 -11.980 0.198 1.00 25.00 C ATOM 409 CD2 LEU B 36 10.554 -13.484 1.814 1.00 25.00 C ATOM 0 H LEU B 36 7.938 -12.825 -0.988 1.00 25.00 H new ATOM 0 HA LEU B 36 7.978 -12.835 1.880 1.00 25.00 H new ATOM 0 HB2 LEU B 36 9.246 -10.992 -0.153 1.00 25.00 H new ATOM 0 HB3 LEU B 36 9.560 -10.957 1.571 1.00 25.00 H new ATOM 0 HG LEU B 36 10.091 -13.346 -0.243 1.00 25.00 H new ATOM 0 HD11 LEU B 36 12.518 -12.736 0.073 1.00 25.00 H new ATOM 0 HD12 LEU B 36 11.626 -11.422 -0.731 1.00 25.00 H new ATOM 0 HD13 LEU B 36 12.029 -11.297 0.998 1.00 25.00 H new ATOM 0 HD21 LEU B 36 11.336 -14.229 1.664 1.00 25.00 H new ATOM 0 HD22 LEU B 36 10.832 -12.827 2.638 1.00 25.00 H new ATOM 0 HD23 LEU B 36 9.616 -13.986 2.051 1.00 25.00 H new ATOM 421 N CYS B 37 6.316 -10.984 2.399 1.00 25.00 N ATOM 422 CA CYS B 37 5.419 -9.882 2.781 1.00 25.00 C ATOM 423 C CYS B 37 5.443 -9.860 4.320 1.00 25.00 C ATOM 424 O CYS B 37 6.066 -10.737 4.925 1.00 25.00 O ATOM 425 CB CYS B 37 4.027 -10.103 2.221 1.00 25.00 C ATOM 426 SG CYS B 37 2.920 -8.673 2.408 1.00 25.00 S ATOM 0 H CYS B 37 6.428 -11.692 3.125 1.00 25.00 H new ATOM 0 HA CYS B 37 5.738 -8.922 2.376 1.00 25.00 H new ATOM 0 HB2 CYS B 37 4.107 -10.352 1.163 1.00 25.00 H new ATOM 0 HB3 CYS B 37 3.579 -10.964 2.717 1.00 25.00 H new ATOM 431 N GLY B 38 4.819 -8.853 4.947 1.00 25.00 N ATOM 432 CA GLY B 38 4.799 -8.728 6.402 1.00 25.00 C ATOM 433 C GLY B 38 6.223 -8.564 6.965 1.00 25.00 C ATOM 434 O GLY B 38 7.067 -7.796 6.450 1.00 25.00 O ATOM 0 H GLY B 38 4.319 -8.110 4.460 1.00 25.00 H new ATOM 0 HA2 GLY B 38 4.191 -7.870 6.688 1.00 25.00 H new ATOM 0 HA3 GLY B 38 4.331 -9.610 6.839 1.00 25.00 H new ATOM 438 N SER B 39 6.451 -9.316 8.027 1.00 25.00 N ATOM 439 CA SER B 39 7.707 -9.347 8.723 1.00 25.00 C ATOM 440 C SER B 39 8.824 -9.835 7.857 1.00 25.00 C ATOM 441 O SER B 39 9.959 -9.397 7.962 1.00 25.00 O ATOM 442 CB SER B 39 7.565 -10.260 9.954 1.00 25.00 C ATOM 443 OG SER B 39 7.388 -11.650 9.598 1.00 25.00 O ATOM 0 H SER B 39 5.747 -9.933 8.432 1.00 25.00 H new ATOM 0 HA SER B 39 7.956 -8.329 9.022 1.00 25.00 H new ATOM 0 HB2 SER B 39 8.451 -10.159 10.581 1.00 25.00 H new ATOM 0 HB3 SER B 39 6.714 -9.930 10.550 1.00 25.00 H new ATOM 0 HG SER B 39 7.304 -12.188 10.413 1.00 25.00 H new ATOM 449 N HIS B 40 8.496 -10.775 6.950 1.00 25.00 N ATOM 450 CA HIS B 40 9.541 -11.397 6.127 1.00 25.00 C ATOM 451 C HIS B 40 10.070 -10.444 5.086 1.00 25.00 C ATOM 452 O HIS B 40 11.219 -10.508 4.752 1.00 25.00 O ATOM 453 CB HIS B 40 9.000 -12.648 5.422 1.00 25.00 C ATOM 454 CG HIS B 40 9.308 -13.926 6.158 1.00 25.00 C ATOM 455 ND1 HIS B 40 9.241 -15.166 5.543 1.00 25.00 N ATOM 456 CD2 HIS B 40 9.686 -14.198 7.456 1.00 25.00 C ATOM 457 CE1 HIS B 40 9.593 -16.108 6.440 1.00 25.00 C ATOM 458 NE2 HIS B 40 9.806 -15.529 7.594 1.00 25.00 N ATOM 0 H HIS B 40 7.548 -11.109 6.774 1.00 25.00 H new ATOM 0 HA HIS B 40 10.354 -11.671 6.799 1.00 25.00 H new ATOM 0 HB2 HIS B 40 7.920 -12.554 5.308 1.00 25.00 H new ATOM 0 HB3 HIS B 40 9.423 -12.703 4.419 1.00 25.00 H new ATOM 0 HD2 HIS B 40 9.857 -13.465 8.231 1.00 25.00 H new ATOM 0 HE1 HIS B 40 9.684 -17.165 6.240 1.00 25.00 H new ATOM 0 HE2 HIS B 40 10.029 -16.013 8.464 1.00 25.00 H new ATOM 467 N LEU B 41 9.256 -9.497 4.639 1.00 25.00 N ATOM 468 CA LEU B 41 9.688 -8.472 3.684 1.00 25.00 C ATOM 469 C LEU B 41 10.752 -7.555 4.314 1.00 25.00 C ATOM 470 O LEU B 41 11.777 -7.325 3.660 1.00 25.00 O ATOM 471 CB LEU B 41 8.463 -7.630 3.221 1.00 25.00 C ATOM 472 CG LEU B 41 8.656 -6.505 2.146 1.00 25.00 C ATOM 473 CD1 LEU B 41 9.247 -7.111 0.897 1.00 25.00 C ATOM 474 CD2 LEU B 41 7.343 -5.823 1.749 1.00 25.00 C ATOM 0 H LEU B 41 8.280 -9.413 4.924 1.00 25.00 H new ATOM 0 HA LEU B 41 10.130 -8.967 2.820 1.00 25.00 H new ATOM 0 HB2 LEU B 41 7.717 -8.325 2.835 1.00 25.00 H new ATOM 0 HB3 LEU B 41 8.035 -7.163 4.108 1.00 25.00 H new ATOM 0 HG LEU B 41 9.310 -5.756 2.592 1.00 25.00 H new ATOM 0 HD11 LEU B 41 9.384 -6.334 0.145 1.00 25.00 H new ATOM 0 HD12 LEU B 41 10.211 -7.562 1.132 1.00 25.00 H new ATOM 0 HD13 LEU B 41 8.574 -7.876 0.510 1.00 25.00 H new ATOM 0 HD21 LEU B 41 7.543 -5.054 1.002 1.00 25.00 H new ATOM 0 HD22 LEU B 41 6.660 -6.563 1.333 1.00 25.00 H new ATOM 0 HD23 LEU B 41 6.890 -5.365 2.629 1.00 25.00 H new ATOM 486 N VAL B 42 10.482 -7.002 5.490 1.00 25.00 N ATOM 487 CA VAL B 42 11.471 -6.153 6.172 1.00 25.00 C ATOM 488 C VAL B 42 12.678 -6.955 6.612 1.00 25.00 C ATOM 489 O VAL B 42 13.777 -6.435 6.557 1.00 25.00 O ATOM 490 CB VAL B 42 10.939 -5.388 7.426 1.00 25.00 C ATOM 491 CG1 VAL B 42 10.260 -4.052 6.991 1.00 25.00 C ATOM 492 CG2 VAL B 42 9.983 -6.208 8.265 1.00 25.00 C ATOM 0 H VAL B 42 9.602 -7.119 5.992 1.00 25.00 H new ATOM 0 HA VAL B 42 11.730 -5.412 5.416 1.00 25.00 H new ATOM 0 HB VAL B 42 11.805 -5.179 8.054 1.00 25.00 H new ATOM 0 HG11 VAL B 42 9.893 -3.527 7.873 1.00 25.00 H new ATOM 0 HG12 VAL B 42 10.987 -3.427 6.472 1.00 25.00 H new ATOM 0 HG13 VAL B 42 9.426 -4.268 6.324 1.00 25.00 H new ATOM 0 HG21 VAL B 42 9.651 -5.618 9.120 1.00 25.00 H new ATOM 0 HG22 VAL B 42 9.120 -6.490 7.662 1.00 25.00 H new ATOM 0 HG23 VAL B 42 10.488 -7.107 8.619 1.00 25.00 H new ATOM 502 N GLU B 43 12.503 -8.214 7.013 1.00 25.00 N ATOM 503 CA GLU B 43 13.641 -9.050 7.402 1.00 25.00 C ATOM 504 C GLU B 43 14.616 -9.232 6.246 1.00 25.00 C ATOM 505 O GLU B 43 15.791 -9.091 6.400 1.00 25.00 O ATOM 506 CB GLU B 43 13.145 -10.416 7.836 1.00 25.00 C ATOM 507 CG GLU B 43 12.774 -10.525 9.277 1.00 25.00 C ATOM 508 CD GLU B 43 13.951 -10.543 10.180 1.00 25.00 C ATOM 509 OE1 GLU B 43 14.811 -11.379 10.081 1.00 25.00 O ATOM 510 OE2 GLU B 43 13.944 -9.635 11.087 1.00 25.00 O ATOM 0 H GLU B 43 11.595 -8.675 7.077 1.00 25.00 H new ATOM 0 HA GLU B 43 14.156 -8.551 8.222 1.00 25.00 H new ATOM 0 HB2 GLU B 43 12.277 -10.679 7.232 1.00 25.00 H new ATOM 0 HB3 GLU B 43 13.919 -11.152 7.619 1.00 25.00 H new ATOM 0 HG2 GLU B 43 12.130 -9.687 9.545 1.00 25.00 H new ATOM 0 HG3 GLU B 43 12.193 -11.435 9.429 1.00 25.00 H new ATOM 518 N ALA B 44 14.086 -9.578 5.068 1.00 25.00 N ATOM 519 CA ALA B 44 14.901 -9.739 3.893 1.00 25.00 C ATOM 520 C ALA B 44 15.532 -8.392 3.439 1.00 25.00 C ATOM 521 O ALA B 44 16.675 -8.367 3.065 1.00 25.00 O ATOM 522 CB ALA B 44 14.043 -10.340 2.755 1.00 25.00 C ATOM 0 H ALA B 44 13.092 -9.749 4.918 1.00 25.00 H new ATOM 0 HA ALA B 44 15.721 -10.415 4.135 1.00 25.00 H new ATOM 0 HB1 ALA B 44 14.657 -10.464 1.863 1.00 25.00 H new ATOM 0 HB2 ALA B 44 13.655 -11.310 3.065 1.00 25.00 H new ATOM 0 HB3 ALA B 44 13.212 -9.671 2.534 1.00 25.00 H new ATOM 528 N LEU B 45 14.790 -7.299 3.500 1.00 25.00 N ATOM 529 CA LEU B 45 15.330 -6.003 3.114 1.00 25.00 C ATOM 530 C LEU B 45 16.462 -5.538 4.044 1.00 25.00 C ATOM 531 O LEU B 45 17.471 -5.043 3.596 1.00 25.00 O ATOM 532 CB LEU B 45 14.140 -5.038 3.170 1.00 25.00 C ATOM 533 CG LEU B 45 14.076 -3.713 2.385 1.00 25.00 C ATOM 534 CD1 LEU B 45 12.732 -3.161 2.777 1.00 25.00 C ATOM 535 CD2 LEU B 45 15.228 -2.799 2.664 1.00 25.00 C ATOM 0 H LEU B 45 13.819 -7.281 3.811 1.00 25.00 H new ATOM 0 HA LEU B 45 15.779 -6.049 2.122 1.00 25.00 H new ATOM 0 HB2 LEU B 45 13.265 -5.614 2.870 1.00 25.00 H new ATOM 0 HB3 LEU B 45 14.006 -4.778 4.220 1.00 25.00 H new ATOM 0 HG LEU B 45 14.168 -3.846 1.307 1.00 25.00 H new ATOM 0 HD11 LEU B 45 12.570 -2.207 2.275 1.00 25.00 H new ATOM 0 HD12 LEU B 45 11.951 -3.863 2.484 1.00 25.00 H new ATOM 0 HD13 LEU B 45 12.700 -3.013 3.856 1.00 25.00 H new ATOM 0 HD21 LEU B 45 15.118 -1.886 2.078 1.00 25.00 H new ATOM 0 HD22 LEU B 45 15.246 -2.549 3.725 1.00 25.00 H new ATOM 0 HD23 LEU B 45 16.160 -3.295 2.392 1.00 25.00 H new ATOM 547 N TYR B 46 16.294 -5.721 5.330 1.00 25.00 N ATOM 548 CA TYR B 46 17.326 -5.409 6.280 1.00 25.00 C ATOM 549 C TYR B 46 18.567 -6.274 6.020 1.00 25.00 C ATOM 550 O TYR B 46 19.677 -5.786 6.087 1.00 25.00 O ATOM 551 CB TYR B 46 16.786 -5.663 7.677 1.00 25.00 C ATOM 552 CG TYR B 46 17.838 -5.410 8.754 1.00 25.00 C ATOM 553 CD1 TYR B 46 18.244 -4.098 9.067 1.00 25.00 C ATOM 554 CD2 TYR B 46 18.453 -6.485 9.400 1.00 25.00 C ATOM 555 CE1 TYR B 46 19.228 -3.888 10.053 1.00 25.00 C ATOM 556 CE2 TYR B 46 19.463 -6.278 10.362 1.00 25.00 C ATOM 557 CZ TYR B 46 19.834 -4.964 10.712 1.00 25.00 C ATOM 558 OH TYR B 46 20.814 -4.822 11.666 1.00 25.00 O ATOM 0 H TYR B 46 15.438 -6.090 5.745 1.00 25.00 H new ATOM 0 HA TYR B 46 17.618 -4.364 6.182 1.00 25.00 H new ATOM 0 HB2 TYR B 46 15.924 -5.020 7.855 1.00 25.00 H new ATOM 0 HB3 TYR B 46 16.435 -6.693 7.748 1.00 25.00 H new ATOM 0 HD1 TYR B 46 17.803 -3.257 8.553 1.00 25.00 H new ATOM 0 HD2 TYR B 46 18.149 -7.493 9.158 1.00 25.00 H new ATOM 0 HE1 TYR B 46 19.520 -2.879 10.305 1.00 25.00 H new ATOM 0 HE2 TYR B 46 19.950 -7.122 10.828 1.00 25.00 H new ATOM 0 HH TYR B 46 21.087 -5.706 11.988 1.00 25.00 H new ATOM 568 N LEU B 47 18.367 -7.565 5.709 1.00 25.00 N ATOM 569 CA LEU B 47 19.483 -8.479 5.494 1.00 25.00 C ATOM 570 C LEU B 47 20.230 -8.078 4.222 1.00 25.00 C ATOM 571 O LEU B 47 21.471 -8.124 4.239 1.00 25.00 O ATOM 572 CB LEU B 47 19.042 -9.931 5.396 1.00 25.00 C ATOM 573 CG LEU B 47 18.588 -10.562 6.704 1.00 25.00 C ATOM 574 CD1 LEU B 47 17.779 -11.818 6.403 1.00 25.00 C ATOM 575 CD2 LEU B 47 19.730 -10.919 7.724 1.00 25.00 C ATOM 0 H LEU B 47 17.446 -7.990 5.603 1.00 25.00 H new ATOM 0 HA LEU B 47 20.139 -8.403 6.361 1.00 25.00 H new ATOM 0 HB2 LEU B 47 18.226 -9.998 4.677 1.00 25.00 H new ATOM 0 HB3 LEU B 47 19.868 -10.518 4.996 1.00 25.00 H new ATOM 0 HG LEU B 47 17.992 -9.794 7.197 1.00 25.00 H new ATOM 0 HD11 LEU B 47 17.452 -12.273 7.338 1.00 25.00 H new ATOM 0 HD12 LEU B 47 16.908 -11.555 5.803 1.00 25.00 H new ATOM 0 HD13 LEU B 47 18.398 -12.526 5.852 1.00 25.00 H new ATOM 0 HD21 LEU B 47 19.293 -11.362 8.619 1.00 25.00 H new ATOM 0 HD22 LEU B 47 20.418 -11.630 7.266 1.00 25.00 H new ATOM 0 HD23 LEU B 47 20.272 -10.013 7.995 1.00 25.00 H new ATOM 587 N VAL B 48 19.536 -7.602 3.199 1.00 25.00 N ATOM 588 CA VAL B 48 20.239 -7.223 1.947 1.00 25.00 C ATOM 589 C VAL B 48 20.747 -5.774 1.940 1.00 25.00 C ATOM 590 O VAL B 48 21.730 -5.468 1.268 1.00 25.00 O ATOM 591 CB VAL B 48 19.345 -7.535 0.651 1.00 25.00 C ATOM 592 CG1 VAL B 48 18.168 -6.569 0.478 1.00 25.00 C ATOM 593 CG2 VAL B 48 20.236 -7.593 -0.635 1.00 25.00 C ATOM 0 H VAL B 48 18.525 -7.466 3.191 1.00 25.00 H new ATOM 0 HA VAL B 48 21.129 -7.851 1.907 1.00 25.00 H new ATOM 0 HB VAL B 48 18.899 -8.517 0.809 1.00 25.00 H new ATOM 0 HG11 VAL B 48 17.606 -6.837 -0.417 1.00 25.00 H new ATOM 0 HG12 VAL B 48 17.515 -6.631 1.349 1.00 25.00 H new ATOM 0 HG13 VAL B 48 18.544 -5.551 0.379 1.00 25.00 H new ATOM 0 HG21 VAL B 48 19.610 -7.806 -1.502 1.00 25.00 H new ATOM 0 HG22 VAL B 48 20.736 -6.635 -0.775 1.00 25.00 H new ATOM 0 HG23 VAL B 48 20.983 -8.379 -0.525 1.00 25.00 H new ATOM 603 N CYS B 49 20.075 -4.894 2.638 1.00 25.00 N ATOM 604 CA CYS B 49 20.372 -3.441 2.545 1.00 25.00 C ATOM 605 C CYS B 49 20.910 -2.786 3.860 1.00 25.00 C ATOM 606 O CYS B 49 21.720 -1.852 3.829 1.00 25.00 O ATOM 607 CB CYS B 49 19.148 -2.650 2.120 1.00 25.00 C ATOM 608 SG CYS B 49 19.527 -0.884 1.853 1.00 25.00 S ATOM 0 H CYS B 49 19.319 -5.131 3.280 1.00 25.00 H new ATOM 0 HA CYS B 49 21.165 -3.395 1.799 1.00 25.00 H new ATOM 0 HB2 CYS B 49 18.743 -3.076 1.202 1.00 25.00 H new ATOM 0 HB3 CYS B 49 18.375 -2.743 2.883 1.00 25.00 H new ATOM 613 N GLY B 50 20.490 -3.275 5.003 1.00 25.00 N ATOM 614 CA GLY B 50 21.012 -2.802 6.278 1.00 25.00 C ATOM 615 C GLY B 50 20.468 -1.458 6.784 1.00 25.00 C ATOM 616 O GLY B 50 19.526 -1.413 7.569 1.00 25.00 O ATOM 0 H GLY B 50 19.783 -4.006 5.083 1.00 25.00 H new ATOM 0 HA2 GLY B 50 20.806 -3.560 7.034 1.00 25.00 H new ATOM 0 HA3 GLY B 50 22.096 -2.722 6.195 1.00 25.00 H new ATOM 620 N GLU B 51 21.054 -0.369 6.273 1.00 25.00 N ATOM 621 CA GLU B 51 20.763 1.022 6.650 1.00 25.00 C ATOM 622 C GLU B 51 20.971 1.271 8.167 1.00 25.00 C ATOM 623 O GLU B 51 21.651 0.478 8.844 1.00 25.00 O ATOM 624 CB GLU B 51 19.334 1.390 6.240 1.00 25.00 C ATOM 625 CG GLU B 51 18.893 0.829 4.939 1.00 25.00 C ATOM 626 CD GLU B 51 17.490 1.272 4.545 1.00 25.00 C ATOM 627 OE1 GLU B 51 17.263 2.089 3.719 1.00 25.00 O ATOM 628 OE2 GLU B 51 16.526 0.573 5.108 1.00 25.00 O ATOM 0 H GLU B 51 21.775 -0.434 5.555 1.00 25.00 H new ATOM 0 HA GLU B 51 21.468 1.661 6.118 1.00 25.00 H new ATOM 0 HB2 GLU B 51 18.650 1.049 7.017 1.00 25.00 H new ATOM 0 HB3 GLU B 51 19.252 2.476 6.197 1.00 25.00 H new ATOM 0 HG2 GLU B 51 19.595 1.132 4.162 1.00 25.00 H new ATOM 0 HG3 GLU B 51 18.924 -0.259 4.990 1.00 25.00 H new ATOM 636 N GLN B 52 20.363 2.326 8.672 1.00 25.00 N ATOM 637 CA GLN B 52 20.459 2.681 10.088 1.00 25.00 C ATOM 638 C GLN B 52 19.506 1.805 10.918 1.00 25.00 C ATOM 639 O GLN B 52 19.295 1.997 12.098 1.00 25.00 O ATOM 640 CB GLN B 52 20.051 4.165 10.245 1.00 25.00 C ATOM 641 CG GLN B 52 21.042 5.135 9.490 1.00 25.00 C ATOM 642 CD GLN B 52 22.465 4.957 9.956 1.00 25.00 C ATOM 643 OE1 GLN B 52 23.225 4.229 9.371 1.00 25.00 O ATOM 644 NE2 GLN B 52 22.828 5.647 11.019 1.00 25.00 N ATOM 0 H GLN B 52 19.789 2.964 8.121 1.00 25.00 H new ATOM 0 HA GLN B 52 21.479 2.523 10.439 1.00 25.00 H new ATOM 0 HB2 GLN B 52 19.041 4.306 9.859 1.00 25.00 H new ATOM 0 HB3 GLN B 52 20.027 4.424 11.303 1.00 25.00 H new ATOM 0 HG2 GLN B 52 20.985 4.950 8.417 1.00 25.00 H new ATOM 0 HG3 GLN B 52 20.733 6.168 9.652 1.00 25.00 H new ATOM 0 HE21 GLN B 52 22.155 6.253 11.488 1.00 25.00 H new ATOM 0 HE22 GLN B 52 23.782 5.574 11.373 1.00 25.00 H new ATOM 653 N GLY B 53 18.844 0.876 10.205 1.00 25.00 N ATOM 654 CA GLY B 53 17.786 0.061 10.788 1.00 25.00 C ATOM 655 C GLY B 53 16.410 0.712 10.573 1.00 25.00 C ATOM 656 O GLY B 53 16.311 1.915 10.302 1.00 25.00 O ATOM 0 H GLY B 53 19.031 0.678 9.222 1.00 25.00 H new ATOM 0 HA2 GLY B 53 17.797 -0.932 10.339 1.00 25.00 H new ATOM 0 HA3 GLY B 53 17.968 -0.070 11.855 1.00 25.00 H new ATOM 660 N PHE B 54 15.319 -0.071 10.678 1.00 25.00 N ATOM 661 CA PHE B 54 13.970 0.433 10.449 1.00 25.00 C ATOM 662 C PHE B 54 13.357 1.031 11.716 1.00 25.00 C ATOM 663 O PHE B 54 12.418 1.822 11.589 1.00 25.00 O ATOM 664 CB PHE B 54 13.041 -0.661 9.891 1.00 25.00 C ATOM 665 CG PHE B 54 13.186 -0.868 8.397 1.00 25.00 C ATOM 666 CD1 PHE B 54 12.669 0.117 7.501 1.00 25.00 C ATOM 667 CD2 PHE B 54 13.873 -1.973 7.882 1.00 25.00 C ATOM 668 CE1 PHE B 54 12.840 -0.029 6.116 1.00 25.00 C ATOM 669 CE2 PHE B 54 14.056 -2.098 6.488 1.00 25.00 C ATOM 670 CZ PHE B 54 13.526 -1.118 5.627 1.00 25.00 C ATOM 0 H PHE B 54 15.357 -1.061 10.922 1.00 25.00 H new ATOM 0 HA PHE B 54 14.064 1.225 9.706 1.00 25.00 H new ATOM 0 HB2 PHE B 54 13.250 -1.601 10.403 1.00 25.00 H new ATOM 0 HB3 PHE B 54 12.007 -0.399 10.116 1.00 25.00 H new ATOM 0 HD1 PHE B 54 12.145 0.977 7.891 1.00 25.00 H new ATOM 0 HD2 PHE B 54 14.262 -2.728 8.549 1.00 25.00 H new ATOM 0 HE1 PHE B 54 12.436 0.708 5.438 1.00 25.00 H new ATOM 0 HE2 PHE B 54 14.599 -2.940 6.084 1.00 25.00 H new ATOM 0 HZ PHE B 54 13.660 -1.223 4.561 1.00 25.00 H new ATOM 680 N PHE B 55 13.845 0.653 12.899 1.00 25.00 N ATOM 681 CA PHE B 55 13.323 1.173 14.168 1.00 25.00 C ATOM 682 C PHE B 55 11.757 1.043 14.249 1.00 25.00 C ATOM 683 O PHE B 55 11.048 1.978 14.596 1.00 25.00 O ATOM 684 CB PHE B 55 13.782 2.640 14.324 1.00 25.00 C ATOM 685 CG PHE B 55 13.758 3.151 15.736 1.00 25.00 C ATOM 686 CD1 PHE B 55 14.783 2.785 16.647 1.00 25.00 C ATOM 687 CD2 PHE B 55 12.735 3.975 16.198 1.00 25.00 C ATOM 688 CE1 PHE B 55 14.750 3.251 17.995 1.00 25.00 C ATOM 689 CE2 PHE B 55 12.724 4.471 17.555 1.00 25.00 C ATOM 690 CZ PHE B 55 13.730 4.099 18.437 1.00 25.00 C ATOM 0 H PHE B 55 14.607 -0.017 13.006 1.00 25.00 H new ATOM 0 HA PHE B 55 13.719 0.580 14.992 1.00 25.00 H new ATOM 0 HB2 PHE B 55 14.795 2.734 13.934 1.00 25.00 H new ATOM 0 HB3 PHE B 55 13.143 3.275 13.710 1.00 25.00 H new ATOM 0 HD1 PHE B 55 15.592 2.150 16.318 1.00 25.00 H new ATOM 0 HD2 PHE B 55 11.933 4.249 15.528 1.00 25.00 H new ATOM 0 HE1 PHE B 55 15.524 2.945 18.684 1.00 25.00 H new ATOM 0 HE2 PHE B 55 11.934 5.130 17.883 1.00 25.00 H new ATOM 0 HZ PHE B 55 13.725 4.461 19.454 1.00 25.00 H new ATOM 700 N TYR B 56 11.273 -0.156 13.907 1.00 25.00 N ATOM 701 CA TYR B 56 9.855 -0.446 13.865 1.00 25.00 C ATOM 702 C TYR B 56 9.609 -1.878 14.240 1.00 25.00 C ATOM 703 O TYR B 56 10.222 -2.788 13.691 1.00 25.00 O ATOM 704 CB TYR B 56 9.331 -0.234 12.430 1.00 25.00 C ATOM 705 CG TYR B 56 7.866 -0.564 12.260 1.00 25.00 C ATOM 706 CD1 TYR B 56 6.895 0.377 12.659 1.00 25.00 C ATOM 707 CD2 TYR B 56 7.449 -1.761 11.683 1.00 25.00 C ATOM 708 CE1 TYR B 56 5.526 0.118 12.499 1.00 25.00 C ATOM 709 CE2 TYR B 56 6.068 -2.041 11.566 1.00 25.00 C ATOM 710 CZ TYR B 56 5.119 -1.080 11.961 1.00 25.00 C ATOM 711 OH TYR B 56 3.800 -1.350 11.800 1.00 25.00 O ATOM 0 H TYR B 56 11.864 -0.948 13.653 1.00 25.00 H new ATOM 0 HA TYR B 56 9.344 0.216 14.564 1.00 25.00 H new ATOM 0 HB2 TYR B 56 9.495 0.805 12.143 1.00 25.00 H new ATOM 0 HB3 TYR B 56 9.914 -0.850 11.746 1.00 25.00 H new ATOM 0 HD1 TYR B 56 7.211 1.313 13.095 1.00 25.00 H new ATOM 0 HD2 TYR B 56 8.178 -2.473 11.326 1.00 25.00 H new ATOM 0 HE1 TYR B 56 4.795 0.856 12.797 1.00 25.00 H new ATOM 0 HE2 TYR B 56 5.741 -2.993 11.173 1.00 25.00 H new ATOM 0 HH TYR B 56 3.694 -2.241 11.405 1.00 25.00 H new ATOM 721 N THR B 57 8.661 -2.089 15.162 1.00 25.00 N ATOM 722 CA THR B 57 8.283 -3.429 15.637 1.00 25.00 C ATOM 723 C THR B 57 6.767 -3.521 15.878 1.00 25.00 C ATOM 724 O THR B 57 6.205 -2.940 16.824 1.00 25.00 O ATOM 725 CB THR B 57 9.047 -3.832 16.945 1.00 25.00 C ATOM 726 OG1 THR B 57 8.358 -4.877 17.619 1.00 25.00 O ATOM 727 CG2 THR B 57 9.234 -2.664 17.882 1.00 25.00 C ATOM 0 H THR B 57 8.133 -1.335 15.601 1.00 25.00 H new ATOM 0 HA THR B 57 8.567 -4.128 14.850 1.00 25.00 H new ATOM 0 HB THR B 57 10.035 -4.177 16.641 1.00 25.00 H new ATOM 0 HG1 THR B 57 8.847 -5.120 18.433 1.00 25.00 H new ATOM 0 HG21 THR B 57 9.768 -2.994 18.773 1.00 25.00 H new ATOM 0 HG22 THR B 57 9.809 -1.885 17.382 1.00 25.00 H new ATOM 0 HG23 THR B 57 8.260 -2.268 18.169 1.00 25.00 H new ATOM 735 N PRO B 58 6.027 -4.138 14.912 1.00 25.00 N ATOM 736 CA PRO B 58 4.566 -4.172 15.093 1.00 25.00 C ATOM 737 C PRO B 58 4.203 -5.133 16.250 1.00 25.00 C ATOM 738 O PRO B 58 4.882 -6.166 16.444 1.00 25.00 O ATOM 739 CB PRO B 58 4.057 -4.683 13.721 1.00 25.00 C ATOM 740 CG PRO B 58 5.166 -5.501 13.218 1.00 25.00 C ATOM 741 CD PRO B 58 6.423 -4.832 13.668 1.00 25.00 C ATOM 0 HA PRO B 58 4.123 -3.213 15.362 1.00 25.00 H new ATOM 0 HB2 PRO B 58 3.144 -5.269 13.826 1.00 25.00 H new ATOM 0 HB3 PRO B 58 3.830 -3.858 13.046 1.00 25.00 H new ATOM 0 HG2 PRO B 58 5.106 -6.517 13.607 1.00 25.00 H new ATOM 0 HG3 PRO B 58 5.133 -5.574 12.131 1.00 25.00 H new ATOM 0 HD2 PRO B 58 7.218 -5.555 13.849 1.00 25.00 H new ATOM 0 HD3 PRO B 58 6.793 -4.131 12.920 1.00 25.00 H new ATOM 749 N LYS B 59 3.143 -4.797 16.985 1.00 25.00 N ATOM 750 CA LYS B 59 2.643 -5.603 18.100 1.00 25.00 C ATOM 751 C LYS B 59 1.103 -5.425 18.231 1.00 25.00 C ATOM 752 O LYS B 59 0.609 -4.336 18.402 1.00 25.00 O ATOM 753 CB LYS B 59 3.310 -5.208 19.444 1.00 25.00 C ATOM 754 CG LYS B 59 3.471 -3.711 19.664 1.00 25.00 C ATOM 755 CD LYS B 59 4.252 -3.426 20.945 1.00 25.00 C ATOM 756 CE LYS B 59 4.512 -1.935 21.091 1.00 25.00 C ATOM 757 NZ LYS B 59 5.250 -1.712 22.339 1.00 25.00 N ATOM 0 H LYS B 59 2.601 -3.948 16.822 1.00 25.00 H new ATOM 0 HA LYS B 59 2.890 -6.643 17.887 1.00 25.00 H new ATOM 0 HB2 LYS B 59 2.717 -5.619 20.261 1.00 25.00 H new ATOM 0 HB3 LYS B 59 4.293 -5.676 19.496 1.00 25.00 H new ATOM 0 HG2 LYS B 59 3.988 -3.268 18.813 1.00 25.00 H new ATOM 0 HG3 LYS B 59 2.489 -3.241 19.720 1.00 25.00 H new ATOM 0 HD2 LYS B 59 3.693 -3.790 21.807 1.00 25.00 H new ATOM 0 HD3 LYS B 59 5.199 -3.966 20.928 1.00 25.00 H new ATOM 0 HE2 LYS B 59 5.085 -1.565 20.241 1.00 25.00 H new ATOM 0 HE3 LYS B 59 3.571 -1.386 21.104 1.00 25.00 H new ATOM 0 HZ1 LYS B 59 5.437 -0.695 22.455 1.00 25.00 H new ATOM 0 HZ2 LYS B 59 4.685 -2.054 23.142 1.00 25.00 H new ATOM 0 HZ3 LYS B 59 6.152 -2.228 22.306 1.00 25.00 H new ATOM 771 N THR B 60 0.353 -6.512 18.171 1.00 25.00 N ATOM 772 CA THR B 60 -1.128 -6.444 18.213 1.00 25.00 C ATOM 773 C THR B 60 -1.635 -6.865 19.561 1.00 25.00 C ATOM 774 O THR B 60 -1.278 -7.865 20.122 1.00 25.00 O ATOM 775 CB THR B 60 -1.783 -7.304 17.091 1.00 25.00 C ATOM 776 OG1 THR B 60 -1.162 -8.601 17.137 1.00 25.00 O ATOM 777 CG2 THR B 60 -1.507 -6.711 15.685 1.00 25.00 C ATOM 778 OXT THR B 60 -2.514 -6.054 20.085 1.00 25.00 O ATOM 0 H THR B 60 0.728 -7.457 18.093 1.00 25.00 H new ATOM 0 HA THR B 60 -1.412 -5.407 18.036 1.00 25.00 H new ATOM 0 HB THR B 60 -2.860 -7.338 17.253 1.00 25.00 H new ATOM 0 HG1 THR B 60 -1.550 -9.174 16.444 1.00 25.00 H new ATOM 0 HG21 THR B 60 -1.979 -7.337 14.927 1.00 25.00 H new ATOM 0 HG22 THR B 60 -1.916 -5.702 15.629 1.00 25.00 H new ATOM 0 HG23 THR B 60 -0.432 -6.677 15.509 1.00 25.00 H new TER 787 THR B 60