USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 391 hydrogens (7 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= 0.248 USER MOD Set 1.2: B 3 ASN : amide:sc= 0.396 K(o=0.64,f=-2!) USER MOD Single : A 1 GLY N :NH3+ 175:sc= -0.407 (180deg=-0.474) USER MOD Single : A 5 GLN : amide:sc= -0.0453 K(o=-0.045,f=-0.59) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0322 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.771 K(o=0.77,f=-4.6!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.0384 X(o=0.038,f=0) USER MOD Single : B 1 PHE N :NH3+ 152:sc= 0.417 (180deg=0.0622) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.825 K(o=0.82,f=-3.1!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.0121 X(o=-0.012,f=-0.013) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot -45:sc= 0.392 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 34:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.405 -1.521 -1.823 1.00 25.00 N ATOM 2 CA GLY A 1 3.335 -0.502 -1.515 1.00 25.00 C ATOM 3 C GLY A 1 2.513 -0.217 -2.746 1.00 25.00 C ATOM 4 O GLY A 1 1.600 0.598 -2.826 1.00 25.00 O ATOM 0 H1 GLY A 1 5.016 -1.645 -0.991 1.00 25.00 H new ATOM 0 H2 GLY A 1 3.960 -2.430 -2.064 1.00 25.00 H new ATOM 0 H3 GLY A 1 4.977 -1.192 -2.627 1.00 25.00 H new ATOM 0 HA2 GLY A 1 2.691 -0.871 -0.717 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.793 0.419 -1.154 1.00 25.00 H new ATOM 9 N ILE A 2 2.909 -1.004 -3.777 1.00 25.00 N ATOM 10 CA ILE A 2 2.338 -0.831 -5.112 1.00 25.00 C ATOM 11 C ILE A 2 0.827 -1.196 -5.135 1.00 25.00 C ATOM 12 O ILE A 2 0.027 -0.477 -5.643 1.00 25.00 O ATOM 13 CB ILE A 2 3.074 -1.711 -6.177 1.00 25.00 C ATOM 14 CG1 ILE A 2 4.609 -1.621 -6.067 1.00 25.00 C ATOM 15 CG2 ILE A 2 2.665 -1.316 -7.610 1.00 25.00 C ATOM 16 CD1 ILE A 2 5.269 -2.851 -5.513 1.00 25.00 C ATOM 0 H ILE A 2 3.606 -1.745 -3.702 1.00 25.00 H new ATOM 0 HA ILE A 2 2.466 0.222 -5.363 1.00 25.00 H new ATOM 0 HB ILE A 2 2.770 -2.737 -5.969 1.00 25.00 H new ATOM 0 HG12 ILE A 2 5.020 -1.418 -7.056 1.00 25.00 H new ATOM 0 HG13 ILE A 2 4.866 -0.771 -5.435 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.193 -1.946 -8.326 1.00 25.00 H new ATOM 0 HG22 ILE A 2 1.590 -1.451 -7.732 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.922 -0.271 -7.787 1.00 25.00 H new ATOM 0 HD11 ILE A 2 6.347 -2.698 -5.472 1.00 25.00 H new ATOM 0 HD12 ILE A 2 4.891 -3.046 -4.509 1.00 25.00 H new ATOM 0 HD13 ILE A 2 5.048 -3.703 -6.156 1.00 25.00 H new ATOM 28 N VAL A 3 0.458 -2.322 -4.554 1.00 25.00 N ATOM 29 CA VAL A 3 -0.919 -2.811 -4.561 1.00 25.00 C ATOM 30 C VAL A 3 -1.778 -1.956 -3.674 1.00 25.00 C ATOM 31 O VAL A 3 -2.921 -1.649 -4.017 1.00 25.00 O ATOM 32 CB VAL A 3 -1.023 -4.336 -4.156 1.00 25.00 C ATOM 33 CG1 VAL A 3 -0.246 -5.202 -5.088 1.00 25.00 C ATOM 34 CG2 VAL A 3 -0.625 -4.654 -2.659 1.00 25.00 C ATOM 0 H VAL A 3 1.107 -2.933 -4.058 1.00 25.00 H new ATOM 0 HA VAL A 3 -1.285 -2.738 -5.585 1.00 25.00 H new ATOM 0 HB VAL A 3 -2.085 -4.567 -4.239 1.00 25.00 H new ATOM 0 HG11 VAL A 3 -0.339 -6.243 -4.780 1.00 25.00 H new ATOM 0 HG12 VAL A 3 -0.633 -5.087 -6.100 1.00 25.00 H new ATOM 0 HG13 VAL A 3 0.804 -4.910 -5.066 1.00 25.00 H new ATOM 0 HG21 VAL A 3 -0.728 -5.723 -2.475 1.00 25.00 H new ATOM 0 HG22 VAL A 3 0.408 -4.353 -2.485 1.00 25.00 H new ATOM 0 HG23 VAL A 3 -1.281 -4.105 -1.984 1.00 25.00 H new ATOM 44 N GLU A 4 -1.190 -1.437 -2.599 1.00 25.00 N ATOM 45 CA GLU A 4 -1.889 -0.525 -1.692 1.00 25.00 C ATOM 46 C GLU A 4 -2.250 0.765 -2.404 1.00 25.00 C ATOM 47 O GLU A 4 -3.407 1.176 -2.363 1.00 25.00 O ATOM 48 CB GLU A 4 -0.995 -0.171 -0.478 1.00 25.00 C ATOM 49 CG GLU A 4 -1.040 -1.178 0.688 1.00 25.00 C ATOM 50 CD GLU A 4 0.226 -1.129 1.489 1.00 25.00 C ATOM 51 OE1 GLU A 4 1.076 -1.967 1.432 1.00 25.00 O ATOM 52 OE2 GLU A 4 0.382 -0.016 2.161 1.00 25.00 O ATOM 0 H GLU A 4 -0.225 -1.633 -2.332 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.794 -1.030 -1.354 1.00 25.00 H new ATOM 0 HB2 GLU A 4 0.036 -0.082 -0.820 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.292 0.808 -0.102 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -1.891 -0.956 1.332 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -1.189 -2.185 0.298 1.00 25.00 H new ATOM 60 N GLN A 5 -1.300 1.339 -3.121 1.00 25.00 N ATOM 61 CA GLN A 5 -1.547 2.579 -3.876 1.00 25.00 C ATOM 62 C GLN A 5 -2.556 2.352 -5.043 1.00 25.00 C ATOM 63 O GLN A 5 -3.481 3.140 -5.225 1.00 25.00 O ATOM 64 CB GLN A 5 -0.209 3.117 -4.430 1.00 25.00 C ATOM 65 CG GLN A 5 -0.275 4.410 -5.289 1.00 25.00 C ATOM 66 CD GLN A 5 -0.584 5.623 -4.435 1.00 25.00 C ATOM 67 OE1 GLN A 5 -0.038 5.787 -3.360 1.00 25.00 O ATOM 68 NE2 GLN A 5 -1.403 6.500 -4.937 1.00 25.00 N ATOM 0 H GLN A 5 -0.350 0.977 -3.203 1.00 25.00 H new ATOM 0 HA GLN A 5 -1.989 3.309 -3.197 1.00 25.00 H new ATOM 0 HB2 GLN A 5 0.457 3.303 -3.588 1.00 25.00 H new ATOM 0 HB3 GLN A 5 0.249 2.332 -5.032 1.00 25.00 H new ATOM 0 HG2 GLN A 5 0.675 4.557 -5.803 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -1.040 4.300 -6.058 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -1.842 6.328 -5.841 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -1.606 7.359 -4.426 1.00 25.00 H new ATOM 77 N CYS A 6 -2.402 1.293 -5.804 1.00 25.00 N ATOM 78 CA CYS A 6 -3.339 1.026 -6.920 1.00 25.00 C ATOM 79 C CYS A 6 -4.735 0.585 -6.504 1.00 25.00 C ATOM 80 O CYS A 6 -5.658 0.778 -7.274 1.00 25.00 O ATOM 81 CB CYS A 6 -2.755 -0.018 -7.886 1.00 25.00 C ATOM 82 SG CYS A 6 -1.191 0.584 -8.634 1.00 25.00 S ATOM 0 H CYS A 6 -1.659 0.603 -5.691 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.456 1.993 -7.409 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -2.572 -0.951 -7.352 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -3.478 -0.237 -8.672 1.00 25.00 H new ATOM 87 N CYS A 7 -4.935 0.026 -5.342 1.00 25.00 N ATOM 88 CA CYS A 7 -6.287 -0.234 -4.881 1.00 25.00 C ATOM 89 C CYS A 7 -6.991 1.011 -4.412 1.00 25.00 C ATOM 90 O CYS A 7 -8.156 1.150 -4.680 1.00 25.00 O ATOM 91 CB CYS A 7 -6.300 -1.333 -3.828 1.00 25.00 C ATOM 92 SG CYS A 7 -5.814 -2.948 -4.508 1.00 25.00 S ATOM 0 H CYS A 7 -4.196 -0.258 -4.699 1.00 25.00 H new ATOM 0 HA CYS A 7 -6.857 -0.590 -5.740 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -5.623 -1.064 -3.017 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -7.298 -1.408 -3.397 1.00 25.00 H new ATOM 97 N THR A 8 -6.304 1.947 -3.741 1.00 25.00 N ATOM 98 CA THR A 8 -6.991 3.160 -3.257 1.00 25.00 C ATOM 99 C THR A 8 -7.058 4.279 -4.311 1.00 25.00 C ATOM 100 O THR A 8 -7.931 5.125 -4.260 1.00 25.00 O ATOM 101 CB THR A 8 -6.345 3.701 -1.912 1.00 25.00 C ATOM 102 OG1 THR A 8 -7.216 4.658 -1.312 1.00 25.00 O ATOM 103 CG2 THR A 8 -4.992 4.343 -2.138 1.00 25.00 C ATOM 0 H THR A 8 -5.308 1.896 -3.525 1.00 25.00 H new ATOM 0 HA THR A 8 -8.017 2.855 -3.052 1.00 25.00 H new ATOM 0 HB THR A 8 -6.203 2.842 -1.256 1.00 25.00 H new ATOM 0 HG1 THR A 8 -6.815 4.989 -0.481 1.00 25.00 H new ATOM 0 HG21 THR A 8 -4.594 4.696 -1.187 1.00 25.00 H new ATOM 0 HG22 THR A 8 -4.309 3.610 -2.568 1.00 25.00 H new ATOM 0 HG23 THR A 8 -5.098 5.185 -2.822 1.00 25.00 H new ATOM 111 N SER A 9 -6.095 4.304 -5.257 1.00 25.00 N ATOM 112 CA SER A 9 -5.971 5.417 -6.192 1.00 25.00 C ATOM 113 C SER A 9 -5.971 4.844 -7.586 1.00 25.00 C ATOM 114 O SER A 9 -6.111 3.654 -7.749 1.00 25.00 O ATOM 115 CB SER A 9 -4.696 6.252 -5.881 1.00 25.00 C ATOM 116 OG SER A 9 -4.652 7.475 -6.602 1.00 25.00 O ATOM 0 H SER A 9 -5.402 3.567 -5.384 1.00 25.00 H new ATOM 0 HA SER A 9 -6.808 6.108 -6.096 1.00 25.00 H new ATOM 0 HB2 SER A 9 -4.657 6.463 -4.812 1.00 25.00 H new ATOM 0 HB3 SER A 9 -3.812 5.661 -6.122 1.00 25.00 H new ATOM 0 HG SER A 9 -3.834 7.962 -6.370 1.00 25.00 H new ATOM 122 N ILE A 10 -5.872 5.721 -8.571 1.00 25.00 N ATOM 123 CA ILE A 10 -5.867 5.322 -9.963 1.00 25.00 C ATOM 124 C ILE A 10 -4.425 5.071 -10.367 1.00 25.00 C ATOM 125 O ILE A 10 -3.572 5.944 -10.164 1.00 25.00 O ATOM 126 CB ILE A 10 -6.457 6.488 -10.888 1.00 25.00 C ATOM 127 CG1 ILE A 10 -7.862 6.966 -10.388 1.00 25.00 C ATOM 128 CG2 ILE A 10 -6.486 6.063 -12.402 1.00 25.00 C ATOM 129 CD1 ILE A 10 -9.028 5.909 -10.502 1.00 25.00 C ATOM 0 H ILE A 10 -5.793 6.727 -8.426 1.00 25.00 H new ATOM 0 HA ILE A 10 -6.481 4.430 -10.088 1.00 25.00 H new ATOM 0 HB ILE A 10 -5.784 7.341 -10.807 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -7.772 7.268 -9.345 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -8.145 7.854 -10.954 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -6.892 6.878 -13.001 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -5.473 5.837 -12.736 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -7.113 5.179 -12.520 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -9.954 6.347 -10.128 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -9.158 5.622 -11.545 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -8.779 5.027 -9.911 1.00 25.00 H new ATOM 141 N CYS A 11 -4.178 3.928 -11.002 1.00 25.00 N ATOM 142 CA CYS A 11 -2.851 3.560 -11.554 1.00 25.00 C ATOM 143 C CYS A 11 -2.848 3.487 -13.071 1.00 25.00 C ATOM 144 O CYS A 11 -2.998 2.400 -13.647 1.00 25.00 O ATOM 145 CB CYS A 11 -2.391 2.258 -10.942 1.00 25.00 C ATOM 146 SG CYS A 11 -1.597 2.455 -9.299 1.00 25.00 S ATOM 0 H CYS A 11 -4.892 3.216 -11.156 1.00 25.00 H new ATOM 0 HA CYS A 11 -2.149 4.351 -11.289 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -3.247 1.590 -10.844 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -1.687 1.777 -11.621 1.00 25.00 H new ATOM 151 N SER A 12 -2.604 4.625 -13.717 1.00 25.00 N ATOM 152 CA SER A 12 -2.452 4.666 -15.177 1.00 25.00 C ATOM 153 C SER A 12 -1.154 3.935 -15.610 1.00 25.00 C ATOM 154 O SER A 12 -0.147 3.930 -14.910 1.00 25.00 O ATOM 155 CB SER A 12 -2.443 6.117 -15.648 1.00 25.00 C ATOM 156 OG SER A 12 -3.608 6.812 -15.243 1.00 25.00 O ATOM 0 H SER A 12 -2.507 5.531 -13.258 1.00 25.00 H new ATOM 0 HA SER A 12 -3.294 4.151 -15.640 1.00 25.00 H new ATOM 0 HB2 SER A 12 -1.563 6.622 -15.250 1.00 25.00 H new ATOM 0 HB3 SER A 12 -2.363 6.145 -16.735 1.00 25.00 H new ATOM 0 HG SER A 12 -3.564 7.737 -15.562 1.00 25.00 H new ATOM 162 N LEU A 13 -1.110 3.395 -16.849 1.00 25.00 N ATOM 163 CA LEU A 13 0.061 2.700 -17.364 1.00 25.00 C ATOM 164 C LEU A 13 1.307 3.587 -17.210 1.00 25.00 C ATOM 165 O LEU A 13 2.425 3.106 -16.689 1.00 25.00 O ATOM 166 CB LEU A 13 -0.154 2.230 -18.825 1.00 25.00 C ATOM 167 CG LEU A 13 -1.112 1.021 -18.922 1.00 25.00 C ATOM 168 CD1 LEU A 13 -2.617 1.429 -18.842 1.00 25.00 C ATOM 169 CD2 LEU A 13 -0.858 0.291 -20.231 1.00 25.00 C ATOM 0 H LEU A 13 -1.889 3.436 -17.507 1.00 25.00 H new ATOM 0 HA LEU A 13 0.220 1.796 -16.776 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -0.555 3.055 -19.414 1.00 25.00 H new ATOM 0 HB3 LEU A 13 0.808 1.964 -19.263 1.00 25.00 H new ATOM 0 HG LEU A 13 -0.909 0.376 -18.067 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -3.240 0.538 -18.916 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -2.809 1.928 -17.892 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -2.854 2.106 -19.662 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -1.530 -0.564 -20.307 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -1.036 0.969 -21.066 1.00 25.00 H new ATOM 0 HD23 LEU A 13 0.175 -0.056 -20.260 1.00 25.00 H new ATOM 181 N TYR A 14 1.316 4.898 -17.532 1.00 25.00 N ATOM 182 CA TYR A 14 2.498 5.733 -17.299 1.00 25.00 C ATOM 183 C TYR A 14 2.993 5.712 -15.862 1.00 25.00 C ATOM 184 O TYR A 14 4.156 5.650 -15.575 1.00 25.00 O ATOM 185 CB TYR A 14 2.266 7.173 -17.831 1.00 25.00 C ATOM 186 CG TYR A 14 3.586 7.981 -17.979 1.00 25.00 C ATOM 187 CD1 TYR A 14 4.301 7.895 -19.137 1.00 25.00 C ATOM 188 CD2 TYR A 14 4.003 8.740 -16.928 1.00 25.00 C ATOM 189 CE1 TYR A 14 5.575 8.683 -19.341 1.00 25.00 C ATOM 190 CE2 TYR A 14 5.162 9.484 -16.983 1.00 25.00 C ATOM 191 CZ TYR A 14 5.952 9.474 -18.074 1.00 25.00 C ATOM 192 OH TYR A 14 7.098 10.206 -18.057 1.00 25.00 O ATOM 0 H TYR A 14 0.525 5.390 -17.949 1.00 25.00 H new ATOM 0 HA TYR A 14 3.312 5.289 -17.872 1.00 25.00 H new ATOM 0 HB2 TYR A 14 1.766 7.122 -18.798 1.00 25.00 H new ATOM 0 HB3 TYR A 14 1.596 7.702 -17.154 1.00 25.00 H new ATOM 0 HD1 TYR A 14 3.949 7.249 -19.927 1.00 25.00 H new ATOM 0 HD2 TYR A 14 3.409 8.760 -16.026 1.00 25.00 H new ATOM 0 HE1 TYR A 14 6.147 8.690 -20.257 1.00 25.00 H new ATOM 0 HE2 TYR A 14 5.443 10.088 -16.133 1.00 25.00 H new ATOM 0 HH TYR A 14 7.192 10.647 -17.187 1.00 25.00 H new ATOM 202 N GLN A 15 2.067 5.776 -14.890 1.00 25.00 N ATOM 203 CA GLN A 15 2.423 5.737 -13.495 1.00 25.00 C ATOM 204 C GLN A 15 2.960 4.337 -13.068 1.00 25.00 C ATOM 205 O GLN A 15 3.924 4.259 -12.349 1.00 25.00 O ATOM 206 CB GLN A 15 1.181 6.086 -12.609 1.00 25.00 C ATOM 207 CG GLN A 15 0.513 7.433 -12.893 1.00 25.00 C ATOM 208 CD GLN A 15 -0.733 7.596 -12.086 1.00 25.00 C ATOM 209 OE1 GLN A 15 -1.762 7.036 -12.410 1.00 25.00 O ATOM 210 NE2 GLN A 15 -0.687 8.402 -11.065 1.00 25.00 N ATOM 0 H GLN A 15 1.065 5.855 -15.065 1.00 25.00 H new ATOM 0 HA GLN A 15 3.214 6.473 -13.349 1.00 25.00 H new ATOM 0 HB2 GLN A 15 0.437 5.300 -12.735 1.00 25.00 H new ATOM 0 HB3 GLN A 15 1.489 6.069 -11.563 1.00 25.00 H new ATOM 0 HG2 GLN A 15 1.207 8.242 -12.664 1.00 25.00 H new ATOM 0 HG3 GLN A 15 0.275 7.508 -13.954 1.00 25.00 H new ATOM 0 HE21 GLN A 15 0.190 8.859 -10.815 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -1.528 8.577 -10.515 1.00 25.00 H new ATOM 219 N LEU A 16 2.398 3.261 -13.584 1.00 25.00 N ATOM 220 CA LEU A 16 2.859 1.888 -13.289 1.00 25.00 C ATOM 221 C LEU A 16 4.330 1.712 -13.729 1.00 25.00 C ATOM 222 O LEU A 16 5.086 0.995 -13.058 1.00 25.00 O ATOM 223 CB LEU A 16 1.972 0.844 -13.988 1.00 25.00 C ATOM 224 CG LEU A 16 0.548 0.542 -13.478 1.00 25.00 C ATOM 225 CD1 LEU A 16 -0.065 -0.503 -14.439 1.00 25.00 C ATOM 226 CD2 LEU A 16 0.495 -0.046 -12.051 1.00 25.00 C ATOM 0 H LEU A 16 1.605 3.298 -14.224 1.00 25.00 H new ATOM 0 HA LEU A 16 2.787 1.732 -12.213 1.00 25.00 H new ATOM 0 HB2 LEU A 16 1.880 1.150 -15.030 1.00 25.00 H new ATOM 0 HB3 LEU A 16 2.521 -0.098 -13.980 1.00 25.00 H new ATOM 0 HG LEU A 16 0.007 1.488 -13.447 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -1.077 -0.747 -14.114 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -0.097 -0.094 -15.449 1.00 25.00 H new ATOM 0 HD13 LEU A 16 0.546 -1.406 -14.432 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -0.542 -0.228 -11.771 1.00 25.00 H new ATOM 0 HD22 LEU A 16 1.049 -0.984 -12.023 1.00 25.00 H new ATOM 0 HD23 LEU A 16 0.941 0.659 -11.350 1.00 25.00 H new ATOM 238 N GLU A 17 4.741 2.424 -14.749 1.00 25.00 N ATOM 239 CA GLU A 17 6.145 2.400 -15.193 1.00 25.00 C ATOM 240 C GLU A 17 7.078 2.850 -14.073 1.00 25.00 C ATOM 241 O GLU A 17 8.220 2.462 -14.068 1.00 25.00 O ATOM 242 CB GLU A 17 6.369 3.284 -16.432 1.00 25.00 C ATOM 243 CG GLU A 17 5.675 2.814 -17.690 1.00 25.00 C ATOM 244 CD GLU A 17 5.867 3.765 -18.838 1.00 25.00 C ATOM 245 OE1 GLU A 17 5.004 4.527 -19.233 1.00 25.00 O ATOM 246 OE2 GLU A 17 7.096 3.731 -19.315 1.00 25.00 O ATOM 0 H GLU A 17 4.136 3.033 -15.299 1.00 25.00 H new ATOM 0 HA GLU A 17 6.373 1.368 -15.461 1.00 25.00 H new ATOM 0 HB2 GLU A 17 6.029 4.294 -16.204 1.00 25.00 H new ATOM 0 HB3 GLU A 17 7.440 3.344 -16.627 1.00 25.00 H new ATOM 0 HG2 GLU A 17 6.057 1.832 -17.967 1.00 25.00 H new ATOM 0 HG3 GLU A 17 4.609 2.697 -17.492 1.00 25.00 H new ATOM 254 N ASN A 18 6.624 3.617 -13.102 1.00 25.00 N ATOM 255 CA ASN A 18 7.543 4.052 -12.024 1.00 25.00 C ATOM 256 C ASN A 18 8.008 2.871 -11.130 1.00 25.00 C ATOM 257 O ASN A 18 9.004 2.983 -10.434 1.00 25.00 O ATOM 258 CB ASN A 18 6.861 5.071 -11.116 1.00 25.00 C ATOM 259 CG ASN A 18 6.446 6.323 -11.852 1.00 25.00 C ATOM 260 OD1 ASN A 18 7.013 6.722 -12.872 1.00 25.00 O ATOM 261 ND2 ASN A 18 5.385 6.910 -11.381 1.00 25.00 N ATOM 0 H ASN A 18 5.664 3.951 -13.020 1.00 25.00 H new ATOM 0 HA ASN A 18 8.408 4.488 -12.524 1.00 25.00 H new ATOM 0 HB2 ASN A 18 5.982 4.614 -10.660 1.00 25.00 H new ATOM 0 HB3 ASN A 18 7.538 5.339 -10.305 1.00 25.00 H new ATOM 0 HD21 ASN A 18 4.999 7.725 -11.858 1.00 25.00 H new ATOM 0 HD22 ASN A 18 4.939 6.555 -10.535 1.00 25.00 H new ATOM 268 N TYR A 19 7.273 1.766 -11.146 1.00 25.00 N ATOM 269 CA TYR A 19 7.605 0.573 -10.344 1.00 25.00 C ATOM 270 C TYR A 19 8.337 -0.469 -11.208 1.00 25.00 C ATOM 271 O TYR A 19 8.762 -1.503 -10.733 1.00 25.00 O ATOM 272 CB TYR A 19 6.322 0.003 -9.763 1.00 25.00 C ATOM 273 CG TYR A 19 5.513 1.011 -8.986 1.00 25.00 C ATOM 274 CD1 TYR A 19 5.807 1.288 -7.634 1.00 25.00 C ATOM 275 CD2 TYR A 19 4.440 1.718 -9.600 1.00 25.00 C ATOM 276 CE1 TYR A 19 5.008 2.207 -6.893 1.00 25.00 C ATOM 277 CE2 TYR A 19 3.671 2.644 -8.877 1.00 25.00 C ATOM 278 CZ TYR A 19 3.973 2.852 -7.522 1.00 25.00 C ATOM 279 OH TYR A 19 3.198 3.718 -6.826 1.00 25.00 O ATOM 0 H TYR A 19 6.430 1.662 -11.711 1.00 25.00 H new ATOM 0 HA TYR A 19 8.275 0.848 -9.529 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.711 -0.394 -10.573 1.00 25.00 H new ATOM 0 HB3 TYR A 19 6.569 -0.834 -9.110 1.00 25.00 H new ATOM 0 HD1 TYR A 19 6.644 0.800 -7.157 1.00 25.00 H new ATOM 0 HD2 TYR A 19 4.214 1.539 -10.641 1.00 25.00 H new ATOM 0 HE1 TYR A 19 5.215 2.393 -5.849 1.00 25.00 H new ATOM 0 HE2 TYR A 19 2.866 3.184 -9.353 1.00 25.00 H new ATOM 0 HH TYR A 19 2.511 4.090 -7.418 1.00 25.00 H new ATOM 289 N CYS A 20 8.469 -0.161 -12.498 1.00 25.00 N ATOM 290 CA CYS A 20 9.211 -1.015 -13.441 1.00 25.00 C ATOM 291 C CYS A 20 10.728 -0.946 -13.135 1.00 25.00 C ATOM 292 O CYS A 20 11.225 -0.011 -12.477 1.00 25.00 O ATOM 293 CB CYS A 20 8.967 -0.536 -14.873 1.00 25.00 C ATOM 294 SG CYS A 20 9.812 -1.465 -16.203 1.00 25.00 S ATOM 0 H CYS A 20 8.071 0.678 -12.921 1.00 25.00 H new ATOM 0 HA CYS A 20 8.865 -2.043 -13.333 1.00 25.00 H new ATOM 0 HB2 CYS A 20 7.894 -0.567 -15.064 1.00 25.00 H new ATOM 0 HB3 CYS A 20 9.273 0.508 -14.940 1.00 25.00 H new ATOM 299 N ASN A 21 11.475 -1.960 -13.588 1.00 25.00 N ATOM 300 CA ASN A 21 12.979 -2.040 -13.509 1.00 25.00 C ATOM 301 C ASN A 21 13.677 -0.786 -13.990 1.00 25.00 C ATOM 302 O ASN A 21 13.508 -0.262 -15.094 1.00 25.00 O ATOM 303 CB ASN A 21 13.468 -3.246 -14.369 1.00 25.00 C ATOM 304 CG ASN A 21 14.342 -4.204 -13.606 1.00 25.00 C ATOM 305 OD1 ASN A 21 15.299 -3.836 -13.006 1.00 25.00 O ATOM 306 ND2 ASN A 21 13.950 -5.475 -13.602 1.00 25.00 N ATOM 307 OXT ASN A 21 14.542 -0.334 -13.138 1.00 25.00 O ATOM 0 H ASN A 21 11.062 -2.779 -14.034 1.00 25.00 H new ATOM 0 HA ASN A 21 13.233 -2.164 -12.456 1.00 25.00 H new ATOM 0 HB2 ASN A 21 12.602 -3.783 -14.755 1.00 25.00 H new ATOM 0 HB3 ASN A 21 14.019 -2.869 -15.231 1.00 25.00 H new ATOM 0 HD21 ASN A 21 14.476 -6.169 -13.072 1.00 25.00 H new ATOM 0 HD22 ASN A 21 13.123 -5.755 -14.129 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -7.464 -0.781 -22.833 1.00 25.00 N ATOM 317 CA PHE B 1 -6.838 -0.458 -21.490 1.00 25.00 C ATOM 318 C PHE B 1 -7.363 0.726 -20.743 1.00 25.00 C ATOM 319 O PHE B 1 -6.861 1.816 -20.797 1.00 25.00 O ATOM 320 CB PHE B 1 -5.338 -0.232 -21.710 1.00 25.00 C ATOM 321 CG PHE B 1 -4.597 -1.421 -22.315 1.00 25.00 C ATOM 322 CD1 PHE B 1 -4.260 -2.489 -21.505 1.00 25.00 C ATOM 323 CD2 PHE B 1 -4.293 -1.439 -23.659 1.00 25.00 C ATOM 324 CE1 PHE B 1 -3.536 -3.586 -22.042 1.00 25.00 C ATOM 325 CE2 PHE B 1 -3.629 -2.510 -24.186 1.00 25.00 C ATOM 326 CZ PHE B 1 -3.230 -3.579 -23.363 1.00 25.00 C ATOM 0 H1 PHE B 1 -6.766 -1.264 -23.434 1.00 25.00 H new ATOM 0 H2 PHE B 1 -8.287 -1.401 -22.692 1.00 25.00 H new ATOM 0 H3 PHE B 1 -7.769 0.100 -23.295 1.00 25.00 H new ATOM 0 HA PHE B 1 -7.091 -1.315 -20.865 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -5.206 0.631 -22.362 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -4.878 0.018 -20.754 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -4.547 -2.489 -20.464 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -4.578 -0.611 -24.292 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -3.235 -4.409 -21.411 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -3.409 -2.536 -25.243 1.00 25.00 H new ATOM 0 HZ PHE B 1 -2.675 -4.402 -23.788 1.00 25.00 H new ATOM 337 N VAL B 2 -8.410 0.512 -19.990 1.00 25.00 N ATOM 338 CA VAL B 2 -8.978 1.587 -19.130 1.00 25.00 C ATOM 339 C VAL B 2 -8.227 1.690 -17.811 1.00 25.00 C ATOM 340 O VAL B 2 -8.107 0.728 -17.078 1.00 25.00 O ATOM 341 CB VAL B 2 -10.491 1.365 -18.878 1.00 25.00 C ATOM 342 CG1 VAL B 2 -11.065 2.490 -17.983 1.00 25.00 C ATOM 343 CG2 VAL B 2 -11.227 1.382 -20.249 1.00 25.00 C ATOM 0 H VAL B 2 -8.903 -0.379 -19.935 1.00 25.00 H new ATOM 0 HA VAL B 2 -8.858 2.529 -19.664 1.00 25.00 H new ATOM 0 HB VAL B 2 -10.635 0.410 -18.373 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -12.128 2.316 -17.818 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -10.545 2.494 -17.025 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -10.927 3.453 -18.475 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -12.294 1.227 -20.091 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -11.068 2.344 -20.735 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -10.835 0.586 -20.882 1.00 25.00 H new ATOM 353 N ASN B 3 -7.718 2.878 -17.534 1.00 25.00 N ATOM 354 CA ASN B 3 -6.962 3.140 -16.325 1.00 25.00 C ATOM 355 C ASN B 3 -7.859 3.430 -15.128 1.00 25.00 C ATOM 356 O ASN B 3 -8.745 4.267 -15.178 1.00 25.00 O ATOM 357 CB ASN B 3 -5.968 4.321 -16.535 1.00 25.00 C ATOM 358 CG ASN B 3 -6.662 5.649 -16.808 1.00 25.00 C ATOM 359 OD1 ASN B 3 -7.435 5.773 -17.768 1.00 25.00 O ATOM 360 ND2 ASN B 3 -6.337 6.668 -16.051 1.00 25.00 N ATOM 0 H ASN B 3 -7.819 3.689 -18.144 1.00 25.00 H new ATOM 0 HA ASN B 3 -6.402 2.230 -16.108 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -5.341 4.422 -15.649 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -5.306 4.086 -17.369 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -6.723 7.592 -16.246 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -5.698 6.537 -15.267 1.00 25.00 H new ATOM 367 N GLN B 4 -7.666 2.684 -14.077 1.00 25.00 N ATOM 368 CA GLN B 4 -8.543 2.826 -12.910 1.00 25.00 C ATOM 369 C GLN B 4 -7.836 2.205 -11.719 1.00 25.00 C ATOM 370 O GLN B 4 -6.604 2.060 -11.740 1.00 25.00 O ATOM 371 CB GLN B 4 -9.844 2.037 -13.179 1.00 25.00 C ATOM 372 CG GLN B 4 -11.109 2.665 -12.632 1.00 25.00 C ATOM 373 CD GLN B 4 -12.261 2.591 -13.604 1.00 25.00 C ATOM 374 OE1 GLN B 4 -13.146 1.777 -13.451 1.00 25.00 O ATOM 375 NE2 GLN B 4 -12.271 3.435 -14.585 1.00 25.00 N ATOM 0 H GLN B 4 -6.932 1.982 -13.987 1.00 25.00 H new ATOM 0 HA GLN B 4 -8.772 3.874 -12.719 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -9.957 1.912 -14.256 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -9.739 1.040 -12.751 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -11.388 2.164 -11.705 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -10.914 3.708 -12.384 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -11.511 4.108 -14.687 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -13.039 3.427 -15.257 1.00 25.00 H new ATOM 384 N HIS B 5 -8.552 1.909 -10.659 1.00 25.00 N ATOM 385 CA HIS B 5 -7.977 1.180 -9.570 1.00 25.00 C ATOM 386 C HIS B 5 -7.548 -0.195 -10.137 1.00 25.00 C ATOM 387 O HIS B 5 -8.207 -0.687 -11.085 1.00 25.00 O ATOM 388 CB HIS B 5 -8.976 1.015 -8.456 1.00 25.00 C ATOM 389 CG HIS B 5 -9.592 2.292 -8.008 1.00 25.00 C ATOM 390 ND1 HIS B 5 -8.861 3.295 -7.403 1.00 25.00 N ATOM 391 CD2 HIS B 5 -10.869 2.760 -8.029 1.00 25.00 C ATOM 392 CE1 HIS B 5 -9.687 4.284 -7.075 1.00 25.00 C ATOM 393 NE2 HIS B 5 -10.884 3.984 -7.462 1.00 25.00 N ATOM 0 H HIS B 5 -9.532 2.165 -10.535 1.00 25.00 H new ATOM 0 HA HIS B 5 -7.122 1.710 -9.150 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -9.764 0.338 -8.785 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -8.484 0.542 -7.606 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -7.855 3.280 -7.236 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -11.726 2.240 -8.431 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -9.403 5.193 -6.566 1.00 25.00 H new ATOM 402 N LEU B 6 -6.521 -0.791 -9.578 1.00 25.00 N ATOM 403 CA LEU B 6 -6.019 -2.111 -9.995 1.00 25.00 C ATOM 404 C LEU B 6 -5.608 -2.897 -8.777 1.00 25.00 C ATOM 405 O LEU B 6 -4.878 -2.419 -7.956 1.00 25.00 O ATOM 406 CB LEU B 6 -4.837 -1.931 -10.968 1.00 25.00 C ATOM 407 CG LEU B 6 -5.183 -1.517 -12.407 1.00 25.00 C ATOM 408 CD1 LEU B 6 -3.896 -1.060 -13.142 1.00 25.00 C ATOM 409 CD2 LEU B 6 -5.834 -2.733 -13.147 1.00 25.00 C ATOM 0 H LEU B 6 -5.992 -0.380 -8.809 1.00 25.00 H new ATOM 0 HA LEU B 6 -6.804 -2.663 -10.512 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -4.164 -1.181 -10.551 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -4.283 -2.869 -11.008 1.00 25.00 H new ATOM 0 HG LEU B 6 -5.889 -0.687 -12.396 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -4.144 -0.767 -14.162 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -3.459 -0.211 -12.617 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -3.179 -1.881 -13.164 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -6.082 -2.447 -14.169 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -5.132 -3.567 -13.164 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -6.742 -3.034 -12.624 1.00 25.00 H new ATOM 421 N CYS B 7 -6.102 -4.119 -8.668 1.00 25.00 N ATOM 422 CA CYS B 7 -5.818 -5.024 -7.547 1.00 25.00 C ATOM 423 C CYS B 7 -5.700 -6.438 -8.162 1.00 25.00 C ATOM 424 O CYS B 7 -5.572 -6.586 -9.355 1.00 25.00 O ATOM 425 CB CYS B 7 -6.951 -4.985 -6.529 1.00 25.00 C ATOM 426 SG CYS B 7 -7.348 -3.360 -5.767 1.00 25.00 S ATOM 0 H CYS B 7 -6.725 -4.526 -9.366 1.00 25.00 H new ATOM 0 HA CYS B 7 -4.906 -4.735 -7.025 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -7.853 -5.359 -7.014 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -6.708 -5.682 -5.727 1.00 25.00 H new HETATM 431 N AIB B 8 -5.722 -7.470 -7.330 1.00 25.00 N HETATM 432 CA AIB B 8 -5.630 -8.897 -7.732 1.00 25.00 C HETATM 433 C AIB B 8 -4.341 -9.169 -8.661 1.00 25.00 C HETATM 434 O AIB B 8 -3.366 -8.400 -8.687 1.00 25.00 O HETATM 435 CB1 AIB B 8 -6.995 -9.331 -8.480 1.00 25.00 C HETATM 436 CB2 AIB B 8 -5.484 -9.723 -6.439 1.00 25.00 C HETATM 0 H AIB B 8 -5.807 -7.350 -6.321 1.00 25.00 H new HETATM 0 HB11 AIB B 8 -6.930 -10.378 -8.776 1.00 25.00 H new HETATM 0 HB12 AIB B 8 -7.839 -9.197 -7.804 1.00 25.00 H new HETATM 0 HB13 AIB B 8 -7.137 -8.711 -9.365 1.00 25.00 H new HETATM 0 HB21 AIB B 8 -5.413 -10.781 -6.689 1.00 25.00 H new HETATM 0 HB22 AIB B 8 -4.583 -9.414 -5.910 1.00 25.00 H new HETATM 0 HB23 AIB B 8 -6.353 -9.559 -5.802 1.00 25.00 H new ATOM 444 N SER B 9 -4.401 -10.335 -9.399 1.00 25.00 N ATOM 445 CA SER B 9 -3.345 -10.780 -10.344 1.00 25.00 C ATOM 446 C SER B 9 -3.247 -9.783 -11.484 1.00 25.00 C ATOM 447 O SER B 9 -2.175 -9.563 -12.047 1.00 25.00 O ATOM 448 CB SER B 9 -3.715 -12.126 -10.941 1.00 25.00 C ATOM 449 OG SER B 9 -5.042 -12.096 -11.483 1.00 25.00 O ATOM 0 H SER B 9 -5.189 -10.981 -9.344 1.00 25.00 H new ATOM 0 HA SER B 9 -2.401 -10.854 -9.805 1.00 25.00 H new ATOM 0 HB2 SER B 9 -3.004 -12.389 -11.724 1.00 25.00 H new ATOM 0 HB3 SER B 9 -3.647 -12.899 -10.176 1.00 25.00 H new ATOM 0 HG SER B 9 -5.260 -12.972 -11.864 1.00 25.00 H new ATOM 455 N HIS B 10 -4.385 -9.145 -11.764 1.00 25.00 N ATOM 456 CA HIS B 10 -4.470 -8.098 -12.761 1.00 25.00 C ATOM 457 C HIS B 10 -3.448 -6.962 -12.491 1.00 25.00 C ATOM 458 O HIS B 10 -2.838 -6.505 -13.490 1.00 25.00 O ATOM 459 CB HIS B 10 -5.918 -7.464 -12.802 1.00 25.00 C ATOM 460 CG HIS B 10 -6.998 -8.455 -13.107 1.00 25.00 C ATOM 461 ND1 HIS B 10 -6.949 -9.329 -14.194 1.00 25.00 N ATOM 462 CD2 HIS B 10 -8.199 -8.711 -12.511 1.00 25.00 C ATOM 463 CE1 HIS B 10 -8.069 -10.074 -14.184 1.00 25.00 C ATOM 464 NE2 HIS B 10 -8.798 -9.754 -13.157 1.00 25.00 N ATOM 0 H HIS B 10 -5.271 -9.347 -11.300 1.00 25.00 H new ATOM 0 HA HIS B 10 -4.243 -8.567 -13.718 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -6.128 -6.995 -11.841 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -5.939 -6.674 -13.553 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -8.608 -8.176 -11.667 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -8.324 -10.824 -14.918 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -9.670 -10.205 -12.880 1.00 25.00 H new ATOM 473 N LEU B 11 -3.188 -6.591 -11.269 1.00 25.00 N ATOM 474 CA LEU B 11 -2.202 -5.517 -11.028 1.00 25.00 C ATOM 475 C LEU B 11 -0.823 -6.019 -11.462 1.00 25.00 C ATOM 476 O LEU B 11 -0.094 -5.304 -12.147 1.00 25.00 O ATOM 477 CB LEU B 11 -2.190 -5.084 -9.521 1.00 25.00 C ATOM 478 CG LEU B 11 -1.197 -3.994 -9.031 1.00 25.00 C ATOM 479 CD1 LEU B 11 0.143 -4.591 -8.617 1.00 25.00 C ATOM 480 CD2 LEU B 11 -0.926 -2.818 -9.996 1.00 25.00 C ATOM 0 H LEU B 11 -3.617 -6.987 -10.433 1.00 25.00 H new ATOM 0 HA LEU B 11 -2.475 -4.637 -11.610 1.00 25.00 H new ATOM 0 HB2 LEU B 11 -3.195 -4.741 -9.275 1.00 25.00 H new ATOM 0 HB3 LEU B 11 -2.005 -5.980 -8.928 1.00 25.00 H new ATOM 0 HG LEU B 11 -1.727 -3.570 -8.178 1.00 25.00 H new ATOM 0 HD11 LEU B 11 0.808 -3.795 -8.281 1.00 25.00 H new ATOM 0 HD12 LEU B 11 -0.011 -5.302 -7.805 1.00 25.00 H new ATOM 0 HD13 LEU B 11 0.592 -5.103 -9.468 1.00 25.00 H new ATOM 0 HD21 LEU B 11 -0.218 -2.127 -9.538 1.00 25.00 H new ATOM 0 HD22 LEU B 11 -0.509 -3.200 -10.928 1.00 25.00 H new ATOM 0 HD23 LEU B 11 -1.860 -2.295 -10.204 1.00 25.00 H new ATOM 492 N VAL B 12 -0.492 -7.240 -11.086 1.00 25.00 N ATOM 493 CA VAL B 12 0.815 -7.808 -11.400 1.00 25.00 C ATOM 494 C VAL B 12 0.984 -7.903 -12.902 1.00 25.00 C ATOM 495 O VAL B 12 1.985 -7.475 -13.452 1.00 25.00 O ATOM 496 CB VAL B 12 0.976 -9.242 -10.765 1.00 25.00 C ATOM 497 CG1 VAL B 12 2.446 -9.773 -10.925 1.00 25.00 C ATOM 498 CG2 VAL B 12 0.590 -9.201 -9.292 1.00 25.00 C ATOM 0 H VAL B 12 -1.108 -7.862 -10.562 1.00 25.00 H new ATOM 0 HA VAL B 12 1.580 -7.154 -10.981 1.00 25.00 H new ATOM 0 HB VAL B 12 0.313 -9.926 -11.294 1.00 25.00 H new ATOM 0 HG11 VAL B 12 2.526 -10.764 -10.477 1.00 25.00 H new ATOM 0 HG12 VAL B 12 2.698 -9.832 -11.984 1.00 25.00 H new ATOM 0 HG13 VAL B 12 3.135 -9.092 -10.425 1.00 25.00 H new ATOM 0 HG21 VAL B 12 0.703 -10.195 -8.858 1.00 25.00 H new ATOM 0 HG22 VAL B 12 1.237 -8.500 -8.766 1.00 25.00 H new ATOM 0 HG23 VAL B 12 -0.447 -8.879 -9.196 1.00 25.00 H new ATOM 508 N GLU B 13 -0.015 -8.460 -13.574 1.00 25.00 N ATOM 509 CA GLU B 13 0.051 -8.677 -15.008 1.00 25.00 C ATOM 510 C GLU B 13 0.154 -7.328 -15.762 1.00 25.00 C ATOM 511 O GLU B 13 0.914 -7.206 -16.702 1.00 25.00 O ATOM 512 CB GLU B 13 -1.207 -9.411 -15.488 1.00 25.00 C ATOM 513 CG GLU B 13 -1.177 -9.761 -16.973 1.00 25.00 C ATOM 514 CD GLU B 13 -0.267 -10.930 -17.277 1.00 25.00 C ATOM 515 OE1 GLU B 13 -0.364 -11.993 -16.748 1.00 25.00 O ATOM 516 OE2 GLU B 13 0.565 -10.717 -18.251 1.00 25.00 O ATOM 0 H GLU B 13 -0.885 -8.771 -13.143 1.00 25.00 H new ATOM 0 HA GLU B 13 0.937 -9.277 -15.216 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -1.327 -10.327 -14.909 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -2.080 -8.790 -15.287 1.00 25.00 H new ATOM 0 HG2 GLU B 13 -2.188 -9.995 -17.308 1.00 25.00 H new ATOM 0 HG3 GLU B 13 -0.847 -8.891 -17.541 1.00 25.00 H new ATOM 524 N ALA B 14 -0.619 -6.333 -15.363 1.00 25.00 N ATOM 525 CA ALA B 14 -0.630 -5.025 -16.023 1.00 25.00 C ATOM 526 C ALA B 14 0.763 -4.383 -15.904 1.00 25.00 C ATOM 527 O ALA B 14 1.283 -3.846 -16.857 1.00 25.00 O ATOM 528 CB ALA B 14 -1.664 -4.114 -15.385 1.00 25.00 C ATOM 0 H ALA B 14 -1.260 -6.402 -14.572 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.887 -5.163 -17.073 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.657 -3.147 -15.889 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -2.652 -4.564 -15.477 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -1.426 -3.975 -14.330 1.00 25.00 H new ATOM 534 N LEU B 15 1.332 -4.437 -14.706 1.00 25.00 N ATOM 535 CA LEU B 15 2.690 -3.902 -14.446 1.00 25.00 C ATOM 536 C LEU B 15 3.688 -4.647 -15.295 1.00 25.00 C ATOM 537 O LEU B 15 4.563 -4.056 -15.869 1.00 25.00 O ATOM 538 CB LEU B 15 3.051 -4.016 -12.962 1.00 25.00 C ATOM 539 CG LEU B 15 3.968 -2.930 -12.357 1.00 25.00 C ATOM 540 CD1 LEU B 15 4.213 -3.189 -10.867 1.00 25.00 C ATOM 541 CD2 LEU B 15 5.305 -2.816 -13.076 1.00 25.00 C ATOM 0 H LEU B 15 0.882 -4.845 -13.887 1.00 25.00 H new ATOM 0 HA LEU B 15 2.711 -2.844 -14.708 1.00 25.00 H new ATOM 0 HB2 LEU B 15 2.122 -4.026 -12.391 1.00 25.00 H new ATOM 0 HB3 LEU B 15 3.530 -4.983 -12.807 1.00 25.00 H new ATOM 0 HG LEU B 15 3.441 -1.985 -12.486 1.00 25.00 H new ATOM 0 HD11 LEU B 15 4.861 -2.411 -10.464 1.00 25.00 H new ATOM 0 HD12 LEU B 15 3.262 -3.180 -10.335 1.00 25.00 H new ATOM 0 HD13 LEU B 15 4.690 -4.161 -10.740 1.00 25.00 H new ATOM 0 HD21 LEU B 15 5.906 -2.037 -12.606 1.00 25.00 H new ATOM 0 HD22 LEU B 15 5.833 -3.768 -13.015 1.00 25.00 H new ATOM 0 HD23 LEU B 15 5.135 -2.562 -14.122 1.00 25.00 H new ATOM 553 N TYR B 16 3.560 -5.954 -15.405 1.00 25.00 N ATOM 554 CA TYR B 16 4.488 -6.754 -16.198 1.00 25.00 C ATOM 555 C TYR B 16 4.407 -6.368 -17.681 1.00 25.00 C ATOM 556 O TYR B 16 5.426 -6.227 -18.340 1.00 25.00 O ATOM 557 CB TYR B 16 4.167 -8.244 -15.955 1.00 25.00 C ATOM 558 CG TYR B 16 5.172 -9.120 -16.714 1.00 25.00 C ATOM 559 CD1 TYR B 16 6.449 -9.430 -16.150 1.00 25.00 C ATOM 560 CD2 TYR B 16 4.861 -9.605 -17.969 1.00 25.00 C ATOM 561 CE1 TYR B 16 7.372 -10.194 -16.851 1.00 25.00 C ATOM 562 CE2 TYR B 16 5.836 -10.403 -18.670 1.00 25.00 C ATOM 563 CZ TYR B 16 7.045 -10.695 -18.103 1.00 25.00 C ATOM 564 OH TYR B 16 7.973 -11.421 -18.822 1.00 25.00 O ATOM 0 H TYR B 16 2.820 -6.492 -14.955 1.00 25.00 H new ATOM 0 HA TYR B 16 5.517 -6.564 -15.893 1.00 25.00 H new ATOM 0 HB2 TYR B 16 4.209 -8.466 -14.889 1.00 25.00 H new ATOM 0 HB3 TYR B 16 3.153 -8.466 -16.287 1.00 25.00 H new ATOM 0 HD1 TYR B 16 6.699 -9.065 -15.165 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.903 -9.390 -18.418 1.00 25.00 H new ATOM 0 HE1 TYR B 16 8.342 -10.398 -16.423 1.00 25.00 H new ATOM 0 HE2 TYR B 16 5.608 -10.776 -19.658 1.00 25.00 H new ATOM 0 HH TYR B 16 7.581 -11.698 -19.676 1.00 25.00 H new ATOM 574 N LEU B 17 3.203 -6.171 -18.197 1.00 25.00 N ATOM 575 CA LEU B 17 3.031 -5.809 -19.608 1.00 25.00 C ATOM 576 C LEU B 17 3.543 -4.420 -19.927 1.00 25.00 C ATOM 577 O LEU B 17 4.206 -4.238 -20.933 1.00 25.00 O ATOM 578 CB LEU B 17 1.559 -5.879 -19.997 1.00 25.00 C ATOM 579 CG LEU B 17 0.956 -7.279 -20.111 1.00 25.00 C ATOM 580 CD1 LEU B 17 -0.578 -7.190 -20.151 1.00 25.00 C ATOM 581 CD2 LEU B 17 1.477 -8.044 -21.341 1.00 25.00 C ATOM 0 H LEU B 17 2.333 -6.253 -17.670 1.00 25.00 H new ATOM 0 HA LEU B 17 3.619 -6.528 -20.179 1.00 25.00 H new ATOM 0 HB2 LEU B 17 0.983 -5.317 -19.261 1.00 25.00 H new ATOM 0 HB3 LEU B 17 1.433 -5.373 -20.954 1.00 25.00 H new ATOM 0 HG LEU B 17 1.267 -7.839 -19.229 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -0.999 -8.192 -20.232 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -0.939 -6.718 -19.237 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -0.886 -6.596 -21.012 1.00 25.00 H new ATOM 0 HD21 LEU B 17 1.018 -9.032 -21.376 1.00 25.00 H new ATOM 0 HD22 LEU B 17 1.222 -7.493 -22.247 1.00 25.00 H new ATOM 0 HD23 LEU B 17 2.560 -8.149 -21.273 1.00 25.00 H new ATOM 593 N VAL B 18 3.276 -3.455 -19.073 1.00 25.00 N ATOM 594 CA VAL B 18 3.733 -2.082 -19.338 1.00 25.00 C ATOM 595 C VAL B 18 5.251 -1.974 -19.133 1.00 25.00 C ATOM 596 O VAL B 18 5.896 -1.178 -19.783 1.00 25.00 O ATOM 597 CB VAL B 18 2.946 -1.022 -18.472 1.00 25.00 C ATOM 598 CG1 VAL B 18 3.226 -1.129 -17.010 1.00 25.00 C ATOM 599 CG2 VAL B 18 3.254 0.430 -18.991 1.00 25.00 C ATOM 0 H VAL B 18 2.757 -3.577 -18.203 1.00 25.00 H new ATOM 0 HA VAL B 18 3.516 -1.850 -20.381 1.00 25.00 H new ATOM 0 HB VAL B 18 1.885 -1.239 -18.594 1.00 25.00 H new ATOM 0 HG11 VAL B 18 2.654 -0.372 -16.474 1.00 25.00 H new ATOM 0 HG12 VAL B 18 2.939 -2.119 -16.656 1.00 25.00 H new ATOM 0 HG13 VAL B 18 4.290 -0.974 -16.831 1.00 25.00 H new ATOM 0 HG21 VAL B 18 2.707 1.155 -18.388 1.00 25.00 H new ATOM 0 HG22 VAL B 18 4.323 0.625 -18.912 1.00 25.00 H new ATOM 0 HG23 VAL B 18 2.945 0.517 -20.033 1.00 25.00 H new ATOM 609 N CYS B 19 5.782 -2.728 -18.206 1.00 25.00 N ATOM 610 CA CYS B 19 7.211 -2.669 -17.910 1.00 25.00 C ATOM 611 C CYS B 19 8.099 -3.406 -18.941 1.00 25.00 C ATOM 612 O CYS B 19 9.226 -2.995 -19.208 1.00 25.00 O ATOM 613 CB CYS B 19 7.446 -3.334 -16.534 1.00 25.00 C ATOM 614 SG CYS B 19 9.204 -3.365 -15.921 1.00 25.00 S ATOM 0 H CYS B 19 5.257 -3.393 -17.638 1.00 25.00 H new ATOM 0 HA CYS B 19 7.492 -1.616 -17.933 1.00 25.00 H new ATOM 0 HB2 CYS B 19 6.835 -2.816 -15.795 1.00 25.00 H new ATOM 0 HB3 CYS B 19 7.083 -4.361 -16.584 1.00 25.00 H new ATOM 619 N GLY B 20 7.576 -4.534 -19.446 1.00 25.00 N ATOM 620 CA GLY B 20 8.303 -5.378 -20.381 1.00 25.00 C ATOM 621 C GLY B 20 8.769 -6.722 -19.801 1.00 25.00 C ATOM 622 O GLY B 20 8.554 -7.110 -18.643 1.00 25.00 O ATOM 0 H GLY B 20 6.644 -4.877 -19.214 1.00 25.00 H new ATOM 0 HA2 GLY B 20 7.668 -5.571 -21.245 1.00 25.00 H new ATOM 0 HA3 GLY B 20 9.174 -4.831 -20.742 1.00 25.00 H new ATOM 626 N GLU B 21 9.469 -7.432 -20.674 1.00 25.00 N ATOM 627 CA GLU B 21 10.008 -8.794 -20.398 1.00 25.00 C ATOM 628 C GLU B 21 11.075 -8.769 -19.301 1.00 25.00 C ATOM 629 O GLU B 21 11.426 -9.817 -18.736 1.00 25.00 O ATOM 630 CB GLU B 21 10.637 -9.340 -21.695 1.00 25.00 C ATOM 631 CG GLU B 21 9.695 -9.491 -22.888 1.00 25.00 C ATOM 632 CD GLU B 21 10.410 -9.920 -24.134 1.00 25.00 C ATOM 633 OE1 GLU B 21 11.382 -10.595 -24.130 1.00 25.00 O ATOM 634 OE2 GLU B 21 9.897 -9.484 -25.225 1.00 25.00 O ATOM 0 H GLU B 21 9.692 -7.092 -21.610 1.00 25.00 H new ATOM 0 HA GLU B 21 9.189 -9.428 -20.057 1.00 25.00 H new ATOM 0 HB2 GLU B 21 11.454 -8.679 -21.985 1.00 25.00 H new ATOM 0 HB3 GLU B 21 11.076 -10.314 -21.479 1.00 25.00 H new ATOM 0 HG2 GLU B 21 8.923 -10.221 -22.647 1.00 25.00 H new ATOM 0 HG3 GLU B 21 9.191 -8.542 -23.071 1.00 25.00 H new ATOM 642 N ARG B 22 11.560 -7.569 -18.985 1.00 25.00 N ATOM 643 CA ARG B 22 12.491 -7.417 -17.860 1.00 25.00 C ATOM 644 C ARG B 22 11.820 -7.571 -16.556 1.00 25.00 C ATOM 645 O ARG B 22 12.499 -7.790 -15.560 1.00 25.00 O ATOM 646 CB ARG B 22 13.188 -6.049 -17.890 1.00 25.00 C ATOM 647 CG ARG B 22 12.277 -4.872 -18.045 1.00 25.00 C ATOM 648 CD ARG B 22 12.497 -4.201 -19.368 1.00 25.00 C ATOM 649 NE ARG B 22 13.463 -3.096 -19.266 1.00 25.00 N ATOM 650 CZ ARG B 22 13.179 -1.845 -18.907 1.00 25.00 C ATOM 651 NH1 ARG B 22 11.979 -1.439 -18.555 1.00 25.00 N ATOM 652 NH2 ARG B 22 14.165 -0.981 -18.861 1.00 25.00 N ATOM 0 H ARG B 22 11.333 -6.705 -19.477 1.00 25.00 H new ATOM 0 HA ARG B 22 13.229 -8.211 -17.975 1.00 25.00 H new ATOM 0 HB2 ARG B 22 13.757 -5.929 -16.968 1.00 25.00 H new ATOM 0 HB3 ARG B 22 13.906 -6.043 -18.710 1.00 25.00 H new ATOM 0 HG2 ARG B 22 11.239 -5.196 -17.964 1.00 25.00 H new ATOM 0 HG3 ARG B 22 12.453 -4.161 -17.238 1.00 25.00 H new ATOM 0 HD2 ARG B 22 12.857 -4.933 -20.091 1.00 25.00 H new ATOM 0 HD3 ARG B 22 11.548 -3.820 -19.745 1.00 25.00 H new ATOM 0 HE ARG B 22 14.436 -3.306 -19.490 1.00 25.00 H new ATOM 0 HH11 ARG B 22 11.200 -2.097 -18.547 1.00 25.00 H new ATOM 0 HH12 ARG B 22 11.827 -0.466 -18.290 1.00 25.00 H new ATOM 0 HH21 ARG B 22 15.113 -1.276 -19.096 1.00 25.00 H new ATOM 0 HH22 ARG B 22 13.984 -0.014 -18.590 1.00 25.00 H new ATOM 666 N GLY B 23 10.507 -7.460 -16.500 1.00 25.00 N ATOM 667 CA GLY B 23 9.859 -7.633 -15.182 1.00 25.00 C ATOM 668 C GLY B 23 10.269 -6.613 -14.129 1.00 25.00 C ATOM 669 O GLY B 23 10.855 -5.613 -14.447 1.00 25.00 O ATOM 0 H GLY B 23 9.888 -7.264 -17.286 1.00 25.00 H new ATOM 0 HA2 GLY B 23 8.778 -7.582 -15.315 1.00 25.00 H new ATOM 0 HA3 GLY B 23 10.088 -8.631 -14.809 1.00 25.00 H new ATOM 673 N PHE B 24 9.985 -6.919 -12.851 1.00 25.00 N ATOM 674 CA PHE B 24 10.298 -6.081 -11.706 1.00 25.00 C ATOM 675 C PHE B 24 10.566 -7.003 -10.532 1.00 25.00 C ATOM 676 O PHE B 24 10.133 -8.107 -10.515 1.00 25.00 O ATOM 677 CB PHE B 24 9.106 -5.149 -11.426 1.00 25.00 C ATOM 678 CG PHE B 24 7.794 -5.872 -11.164 1.00 25.00 C ATOM 679 CD1 PHE B 24 6.964 -6.249 -12.235 1.00 25.00 C ATOM 680 CD2 PHE B 24 7.352 -6.140 -9.831 1.00 25.00 C ATOM 681 CE1 PHE B 24 5.726 -6.868 -11.995 1.00 25.00 C ATOM 682 CE2 PHE B 24 6.090 -6.753 -9.585 1.00 25.00 C ATOM 683 CZ PHE B 24 5.290 -7.140 -10.677 1.00 25.00 C ATOM 0 H PHE B 24 9.516 -7.787 -12.590 1.00 25.00 H new ATOM 0 HA PHE B 24 11.174 -5.458 -11.887 1.00 25.00 H new ATOM 0 HB2 PHE B 24 9.342 -4.525 -10.564 1.00 25.00 H new ATOM 0 HB3 PHE B 24 8.975 -4.480 -12.277 1.00 25.00 H new ATOM 0 HD1 PHE B 24 7.281 -6.061 -13.250 1.00 25.00 H new ATOM 0 HD2 PHE B 24 7.985 -5.873 -8.997 1.00 25.00 H new ATOM 0 HE1 PHE B 24 5.097 -7.140 -12.830 1.00 25.00 H new ATOM 0 HE2 PHE B 24 5.751 -6.919 -8.573 1.00 25.00 H new ATOM 0 HZ PHE B 24 4.348 -7.642 -10.509 1.00 25.00 H new ATOM 693 N PHE B 25 11.363 -6.543 -9.592 1.00 25.00 N ATOM 694 CA PHE B 25 11.901 -7.407 -8.476 1.00 25.00 C ATOM 695 C PHE B 25 11.440 -6.846 -7.090 1.00 25.00 C ATOM 696 O PHE B 25 12.078 -7.079 -6.052 1.00 25.00 O ATOM 697 CB PHE B 25 13.444 -7.416 -8.551 1.00 25.00 C ATOM 698 CG PHE B 25 14.066 -8.817 -8.700 1.00 25.00 C ATOM 699 CD1 PHE B 25 13.492 -9.751 -9.571 1.00 25.00 C ATOM 700 CD2 PHE B 25 15.252 -9.169 -8.019 1.00 25.00 C ATOM 701 CE1 PHE B 25 14.086 -11.069 -9.741 1.00 25.00 C ATOM 702 CE2 PHE B 25 15.852 -10.459 -8.156 1.00 25.00 C ATOM 703 CZ PHE B 25 15.265 -11.417 -9.026 1.00 25.00 C ATOM 0 H PHE B 25 11.675 -5.573 -9.548 1.00 25.00 H new ATOM 0 HA PHE B 25 11.519 -8.422 -8.584 1.00 25.00 H new ATOM 0 HB2 PHE B 25 13.758 -6.801 -9.394 1.00 25.00 H new ATOM 0 HB3 PHE B 25 13.842 -6.949 -7.650 1.00 25.00 H new ATOM 0 HD1 PHE B 25 12.600 -9.491 -10.122 1.00 25.00 H new ATOM 0 HD2 PHE B 25 15.721 -8.440 -7.374 1.00 25.00 H new ATOM 0 HE1 PHE B 25 13.631 -11.783 -10.411 1.00 25.00 H new ATOM 0 HE2 PHE B 25 16.746 -10.704 -7.602 1.00 25.00 H new ATOM 0 HZ PHE B 25 15.708 -12.395 -9.143 1.00 25.00 H new ATOM 713 N TYR B 26 10.291 -6.173 -7.123 1.00 25.00 N ATOM 714 CA TYR B 26 9.669 -5.576 -5.937 1.00 25.00 C ATOM 715 C TYR B 26 8.933 -6.638 -5.108 1.00 25.00 C ATOM 716 O TYR B 26 8.193 -6.338 -4.166 1.00 25.00 O ATOM 717 CB TYR B 26 8.677 -4.479 -6.348 1.00 25.00 C ATOM 718 CG TYR B 26 8.833 -3.142 -5.642 1.00 25.00 C ATOM 719 CD1 TYR B 26 8.979 -3.056 -4.271 1.00 25.00 C ATOM 720 CD2 TYR B 26 8.838 -1.940 -6.406 1.00 25.00 C ATOM 721 CE1 TYR B 26 9.107 -1.806 -3.628 1.00 25.00 C ATOM 722 CE2 TYR B 26 9.034 -0.680 -5.790 1.00 25.00 C ATOM 723 CZ TYR B 26 9.156 -0.626 -4.401 1.00 25.00 C ATOM 724 OH TYR B 26 9.309 0.627 -3.810 1.00 25.00 O ATOM 0 H TYR B 26 9.759 -6.024 -7.980 1.00 25.00 H new ATOM 0 HA TYR B 26 10.463 -5.141 -5.330 1.00 25.00 H new ATOM 0 HB2 TYR B 26 8.772 -4.314 -7.421 1.00 25.00 H new ATOM 0 HB3 TYR B 26 7.666 -4.846 -6.170 1.00 25.00 H new ATOM 0 HD1 TYR B 26 8.995 -3.961 -3.681 1.00 25.00 H new ATOM 0 HD2 TYR B 26 8.690 -1.990 -7.475 1.00 25.00 H new ATOM 0 HE1 TYR B 26 9.167 -1.753 -2.551 1.00 25.00 H new ATOM 0 HE2 TYR B 26 9.088 0.221 -6.383 1.00 25.00 H new ATOM 0 HH TYR B 26 9.321 1.317 -4.505 1.00 25.00 H new ATOM 734 N THR B 27 9.045 -7.900 -5.520 1.00 25.00 N ATOM 735 CA THR B 27 8.270 -8.995 -4.908 1.00 25.00 C ATOM 736 C THR B 27 9.116 -10.304 -4.809 1.00 25.00 C ATOM 737 O THR B 27 8.717 -11.387 -5.227 1.00 25.00 O ATOM 738 CB THR B 27 6.858 -9.162 -5.621 1.00 25.00 C ATOM 739 OG1 THR B 27 6.155 -10.275 -5.099 1.00 25.00 O ATOM 740 CG2 THR B 27 6.979 -9.365 -7.180 1.00 25.00 C ATOM 0 H THR B 27 9.663 -8.197 -6.275 1.00 25.00 H new ATOM 0 HA THR B 27 8.038 -8.736 -3.875 1.00 25.00 H new ATOM 0 HB THR B 27 6.321 -8.234 -5.424 1.00 25.00 H new ATOM 0 HG1 THR B 27 6.762 -11.041 -5.028 1.00 25.00 H new ATOM 0 HG21 THR B 27 5.984 -9.473 -7.611 1.00 25.00 H new ATOM 0 HG22 THR B 27 7.474 -8.500 -7.622 1.00 25.00 H new ATOM 0 HG23 THR B 27 7.563 -10.262 -7.386 1.00 25.00 H new ATOM 748 N LYS B 28 10.296 -10.157 -4.221 1.00 25.00 N ATOM 749 CA LYS B 28 11.170 -11.306 -3.986 1.00 25.00 C ATOM 750 C LYS B 28 10.723 -12.123 -2.774 1.00 25.00 C ATOM 751 O LYS B 28 10.507 -11.551 -1.701 1.00 25.00 O ATOM 752 CB LYS B 28 12.556 -10.777 -3.686 1.00 25.00 C ATOM 753 CG LYS B 28 13.222 -10.179 -4.881 1.00 25.00 C ATOM 754 CD LYS B 28 14.557 -9.505 -4.503 1.00 25.00 C ATOM 755 CE LYS B 28 14.305 -8.199 -3.715 1.00 25.00 C ATOM 756 NZ LYS B 28 15.578 -7.515 -3.410 1.00 25.00 N ATOM 0 H LYS B 28 10.670 -9.264 -3.900 1.00 25.00 H new ATOM 0 HA LYS B 28 11.143 -11.945 -4.869 1.00 25.00 H new ATOM 0 HB2 LYS B 28 12.490 -10.025 -2.899 1.00 25.00 H new ATOM 0 HB3 LYS B 28 13.173 -11.588 -3.301 1.00 25.00 H new ATOM 0 HG2 LYS B 28 13.402 -10.955 -5.625 1.00 25.00 H new ATOM 0 HG3 LYS B 28 12.559 -9.445 -5.340 1.00 25.00 H new ATOM 0 HD2 LYS B 28 15.158 -10.188 -3.902 1.00 25.00 H new ATOM 0 HD3 LYS B 28 15.128 -9.287 -5.405 1.00 25.00 H new ATOM 0 HE2 LYS B 28 13.662 -7.537 -4.295 1.00 25.00 H new ATOM 0 HE3 LYS B 28 13.777 -8.424 -2.788 1.00 25.00 H new ATOM 0 HZ1 LYS B 28 15.384 -6.641 -2.881 1.00 25.00 H new ATOM 0 HZ2 LYS B 28 16.180 -8.141 -2.837 1.00 25.00 H new ATOM 0 HZ3 LYS B 28 16.068 -7.281 -4.297 1.00 25.00 H new ATOM 770 N PRO B 29 10.614 -13.490 -2.904 1.00 25.00 N ATOM 771 CA PRO B 29 10.253 -14.334 -1.749 1.00 25.00 C ATOM 772 C PRO B 29 11.466 -14.600 -0.855 1.00 25.00 C ATOM 773 O PRO B 29 12.200 -15.568 -1.006 1.00 25.00 O ATOM 774 CB PRO B 29 9.668 -15.606 -2.401 1.00 25.00 C ATOM 775 CG PRO B 29 10.461 -15.718 -3.645 1.00 25.00 C ATOM 776 CD PRO B 29 10.846 -14.305 -4.107 1.00 25.00 C ATOM 0 HA PRO B 29 9.535 -13.870 -1.072 1.00 25.00 H new ATOM 0 HB2 PRO B 29 9.787 -16.481 -1.763 1.00 25.00 H new ATOM 0 HB3 PRO B 29 8.602 -15.504 -2.606 1.00 25.00 H new ATOM 0 HG2 PRO B 29 11.355 -16.316 -3.471 1.00 25.00 H new ATOM 0 HG3 PRO B 29 9.883 -16.225 -4.418 1.00 25.00 H new ATOM 0 HD2 PRO B 29 11.885 -14.256 -4.434 1.00 25.00 H new ATOM 0 HD3 PRO B 29 10.232 -13.973 -4.944 1.00 25.00 H new ATOM 784 N THR B 30 11.667 -13.663 0.074 1.00 25.00 N ATOM 785 CA THR B 30 12.865 -13.557 0.980 1.00 25.00 C ATOM 786 C THR B 30 14.259 -13.525 0.242 1.00 25.00 C ATOM 787 O THR B 30 14.843 -12.499 0.046 1.00 25.00 O ATOM 788 CB THR B 30 12.882 -14.582 2.142 1.00 25.00 C ATOM 789 OG1 THR B 30 13.057 -15.865 1.604 1.00 25.00 O ATOM 790 CG2 THR B 30 11.587 -14.616 3.018 1.00 25.00 C ATOM 791 OXT THR B 30 14.757 -14.681 -0.081 1.00 25.00 O ATOM 0 H THR B 30 10.989 -12.920 0.240 1.00 25.00 H new ATOM 0 HA THR B 30 12.728 -12.571 1.423 1.00 25.00 H new ATOM 0 HB THR B 30 13.696 -14.268 2.795 1.00 25.00 H new ATOM 0 HG1 THR B 30 13.634 -15.812 0.814 1.00 25.00 H new ATOM 0 HG21 THR B 30 11.698 -15.364 3.803 1.00 25.00 H new ATOM 0 HG22 THR B 30 11.428 -13.637 3.470 1.00 25.00 H new ATOM 0 HG23 THR B 30 10.731 -14.870 2.393 1.00 25.00 H new TER 800 THR B 30