USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 389 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: B 4 GLN : amide:sc= 0.347 K(o=0.72,f=-0.94) USER MOD Set 1.2: B 10 HIS : no HE2:sc= 0.376 K(o=0.72,f=-2.6) USER MOD Single : A 1 GLY N :NH3+ -168:sc= 0.258 (180deg=0.21) USER MOD Single : A 5 GLN : amide:sc= -0.0147 X(o=-0.015,f=0.13) USER MOD Single : A 8 THR OG1 : rot -34:sc= 0.0493 USER MOD Single : A 9 SER OG : rot 180:sc= 0.17 USER MOD Single : A 12 SER OG : rot -123:sc= 0.542 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0788 X(o=-0.079,f=-0.18) USER MOD Single : A 18 ASN : amide:sc= 0.059 X(o=0.059,f=-0.008) USER MOD Single : A 19 TYR OH : rot 13:sc= 0.213 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ 133:sc= 0.091 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.0321 K(o=-0.032,f=-1.2) USER MOD Single : B 5 HIS : no HD1:sc= -2.4 K(o=-2.4,f=-7.3!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= -0.0153 USER MOD Single : B 29 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.08) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0356 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.726 -0.150 -0.970 1.00 25.00 N ATOM 2 CA GLY A 1 2.316 1.223 -1.357 1.00 25.00 C ATOM 3 C GLY A 1 1.735 1.248 -2.744 1.00 25.00 C ATOM 4 O GLY A 1 1.869 0.272 -3.458 1.00 25.00 O ATOM 0 H1 GLY A 1 2.931 -0.177 0.049 1.00 25.00 H new ATOM 0 H2 GLY A 1 1.957 -0.816 -1.186 1.00 25.00 H new ATOM 0 H3 GLY A 1 3.578 -0.421 -1.501 1.00 25.00 H new ATOM 0 HA2 GLY A 1 1.581 1.600 -0.646 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.177 1.889 -1.309 1.00 25.00 H new ATOM 10 N ILE A 2 1.084 2.335 -3.138 1.00 25.00 N ATOM 11 CA ILE A 2 0.410 2.396 -4.443 1.00 25.00 C ATOM 12 C ILE A 2 1.375 2.178 -5.624 1.00 25.00 C ATOM 13 O ILE A 2 1.008 1.572 -6.630 1.00 25.00 O ATOM 14 CB ILE A 2 -0.385 3.737 -4.581 1.00 25.00 C ATOM 15 CG1 ILE A 2 -1.345 3.649 -5.781 1.00 25.00 C ATOM 16 CG2 ILE A 2 0.573 4.965 -4.665 1.00 25.00 C ATOM 17 CD1 ILE A 2 -2.341 4.799 -5.878 1.00 25.00 C ATOM 0 H ILE A 2 1.004 3.186 -2.581 1.00 25.00 H new ATOM 0 HA ILE A 2 -0.298 1.569 -4.483 1.00 25.00 H new ATOM 0 HB ILE A 2 -0.985 3.890 -3.684 1.00 25.00 H new ATOM 0 HG12 ILE A 2 -0.758 3.615 -6.699 1.00 25.00 H new ATOM 0 HG13 ILE A 2 -1.897 2.711 -5.721 1.00 25.00 H new ATOM 0 HG21 ILE A 2 -0.014 5.879 -4.760 1.00 25.00 H new ATOM 0 HG22 ILE A 2 1.179 5.016 -3.761 1.00 25.00 H new ATOM 0 HG23 ILE A 2 1.224 4.860 -5.533 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -2.977 4.656 -6.751 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -2.958 4.823 -4.980 1.00 25.00 H new ATOM 0 HD13 ILE A 2 -1.801 5.741 -5.972 1.00 25.00 H new ATOM 29 N VAL A 3 2.626 2.593 -5.466 1.00 25.00 N ATOM 30 CA VAL A 3 3.628 2.408 -6.516 1.00 25.00 C ATOM 31 C VAL A 3 3.853 0.926 -6.787 1.00 25.00 C ATOM 32 O VAL A 3 3.951 0.511 -7.935 1.00 25.00 O ATOM 33 CB VAL A 3 4.974 3.089 -6.134 1.00 25.00 C ATOM 34 CG1 VAL A 3 6.001 2.959 -7.277 1.00 25.00 C ATOM 35 CG2 VAL A 3 4.741 4.574 -5.820 1.00 25.00 C ATOM 0 H VAL A 3 2.973 3.058 -4.627 1.00 25.00 H new ATOM 0 HA VAL A 3 3.249 2.880 -7.423 1.00 25.00 H new ATOM 0 HB VAL A 3 5.370 2.587 -5.251 1.00 25.00 H new ATOM 0 HG11 VAL A 3 6.933 3.443 -6.985 1.00 25.00 H new ATOM 0 HG12 VAL A 3 6.188 1.905 -7.480 1.00 25.00 H new ATOM 0 HG13 VAL A 3 5.609 3.438 -8.174 1.00 25.00 H new ATOM 0 HG21 VAL A 3 5.688 5.043 -5.554 1.00 25.00 H new ATOM 0 HG22 VAL A 3 4.325 5.070 -6.697 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.044 4.665 -4.987 1.00 25.00 H new ATOM 45 N GLU A 4 3.892 0.112 -5.740 1.00 25.00 N ATOM 46 CA GLU A 4 4.085 -1.324 -5.914 1.00 25.00 C ATOM 47 C GLU A 4 2.933 -1.932 -6.678 1.00 25.00 C ATOM 48 O GLU A 4 3.152 -2.736 -7.572 1.00 25.00 O ATOM 49 CB GLU A 4 4.186 -2.047 -4.569 1.00 25.00 C ATOM 50 CG GLU A 4 5.556 -1.983 -3.938 1.00 25.00 C ATOM 51 CD GLU A 4 5.856 -0.643 -3.319 1.00 25.00 C ATOM 52 OE1 GLU A 4 5.005 0.145 -2.962 1.00 25.00 O ATOM 53 OE2 GLU A 4 7.123 -0.403 -3.213 1.00 25.00 O ATOM 0 H GLU A 4 3.794 0.416 -4.771 1.00 25.00 H new ATOM 0 HA GLU A 4 5.016 -1.446 -6.467 1.00 25.00 H new ATOM 0 HB2 GLU A 4 3.460 -1.615 -3.881 1.00 25.00 H new ATOM 0 HB3 GLU A 4 3.910 -3.092 -4.709 1.00 25.00 H new ATOM 0 HG2 GLU A 4 5.635 -2.756 -3.174 1.00 25.00 H new ATOM 0 HG3 GLU A 4 6.309 -2.205 -4.694 1.00 25.00 H new ATOM 61 N GLN A 5 1.712 -1.561 -6.320 1.00 25.00 N ATOM 62 CA GLN A 5 0.531 -2.157 -6.936 1.00 25.00 C ATOM 63 C GLN A 5 0.529 -1.927 -8.441 1.00 25.00 C ATOM 64 O GLN A 5 0.186 -2.817 -9.208 1.00 25.00 O ATOM 65 CB GLN A 5 -0.763 -1.585 -6.334 1.00 25.00 C ATOM 66 CG GLN A 5 -0.793 -1.503 -4.800 1.00 25.00 C ATOM 67 CD GLN A 5 -0.269 -2.750 -4.111 1.00 25.00 C ATOM 68 OE1 GLN A 5 0.771 -2.715 -3.464 1.00 25.00 O ATOM 69 NE2 GLN A 5 -0.983 -3.840 -4.230 1.00 25.00 N ATOM 0 H GLN A 5 1.512 -0.855 -5.611 1.00 25.00 H new ATOM 0 HA GLN A 5 0.570 -3.228 -6.735 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -0.921 -0.585 -6.738 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -1.601 -2.199 -6.665 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -0.201 -0.646 -4.479 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -1.818 -1.322 -4.475 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -1.843 -3.829 -4.778 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -0.679 -4.701 -3.775 1.00 25.00 H new ATOM 78 N CYS A 6 0.941 -0.741 -8.858 1.00 25.00 N ATOM 79 CA CYS A 6 0.955 -0.409 -10.281 1.00 25.00 C ATOM 80 C CYS A 6 2.169 -0.987 -10.987 1.00 25.00 C ATOM 81 O CYS A 6 2.117 -1.289 -12.173 1.00 25.00 O ATOM 82 CB CYS A 6 0.917 1.107 -10.466 1.00 25.00 C ATOM 83 SG CYS A 6 -0.532 1.902 -9.690 1.00 25.00 S ATOM 0 H CYS A 6 1.268 0.004 -8.242 1.00 25.00 H new ATOM 0 HA CYS A 6 0.068 -0.855 -10.731 1.00 25.00 H new ATOM 0 HB2 CYS A 6 1.826 1.539 -10.047 1.00 25.00 H new ATOM 0 HB3 CYS A 6 0.918 1.335 -11.532 1.00 25.00 H new ATOM 88 N CYS A 7 3.262 -1.144 -10.260 1.00 25.00 N ATOM 89 CA CYS A 7 4.484 -1.674 -10.841 1.00 25.00 C ATOM 90 C CYS A 7 4.331 -3.169 -11.125 1.00 25.00 C ATOM 91 O CYS A 7 4.666 -3.642 -12.204 1.00 25.00 O ATOM 92 CB CYS A 7 5.660 -1.440 -9.883 1.00 25.00 C ATOM 93 SG CYS A 7 7.308 -1.712 -10.613 1.00 25.00 S ATOM 0 H CYS A 7 3.329 -0.913 -9.269 1.00 25.00 H new ATOM 0 HA CYS A 7 4.680 -1.158 -11.781 1.00 25.00 H new ATOM 0 HB2 CYS A 7 5.608 -0.417 -9.510 1.00 25.00 H new ATOM 0 HB3 CYS A 7 5.546 -2.100 -9.023 1.00 25.00 H new ATOM 98 N THR A 8 3.841 -3.912 -10.137 1.00 25.00 N ATOM 99 CA THR A 8 3.727 -5.368 -10.254 1.00 25.00 C ATOM 100 C THR A 8 2.415 -5.850 -10.876 1.00 25.00 C ATOM 101 O THR A 8 2.333 -6.982 -11.346 1.00 25.00 O ATOM 102 CB THR A 8 3.942 -6.056 -8.874 1.00 25.00 C ATOM 103 OG1 THR A 8 4.232 -7.441 -9.071 1.00 25.00 O ATOM 104 CG2 THR A 8 2.722 -5.949 -7.967 1.00 25.00 C ATOM 0 H THR A 8 3.516 -3.534 -9.247 1.00 25.00 H new ATOM 0 HA THR A 8 4.518 -5.660 -10.944 1.00 25.00 H new ATOM 0 HB THR A 8 4.772 -5.540 -8.390 1.00 25.00 H new ATOM 0 HG1 THR A 8 3.736 -7.772 -9.849 1.00 25.00 H new ATOM 0 HG21 THR A 8 2.929 -6.446 -7.019 1.00 25.00 H new ATOM 0 HG22 THR A 8 2.495 -4.899 -7.784 1.00 25.00 H new ATOM 0 HG23 THR A 8 1.868 -6.426 -8.448 1.00 25.00 H new ATOM 112 N SER A 9 1.380 -5.014 -10.879 1.00 25.00 N ATOM 113 CA SER A 9 0.082 -5.423 -11.413 1.00 25.00 C ATOM 114 C SER A 9 -0.581 -4.277 -12.173 1.00 25.00 C ATOM 115 O SER A 9 0.069 -3.293 -12.492 1.00 25.00 O ATOM 116 CB SER A 9 -0.823 -5.937 -10.289 1.00 25.00 C ATOM 117 OG SER A 9 -1.913 -6.681 -10.817 1.00 25.00 O ATOM 0 H SER A 9 1.412 -4.059 -10.522 1.00 25.00 H new ATOM 0 HA SER A 9 0.243 -6.238 -12.118 1.00 25.00 H new ATOM 0 HB2 SER A 9 -0.245 -6.563 -9.609 1.00 25.00 H new ATOM 0 HB3 SER A 9 -1.199 -5.096 -9.706 1.00 25.00 H new ATOM 0 HG SER A 9 -2.477 -7.001 -10.082 1.00 25.00 H new ATOM 123 N ILE A 10 -1.809 -4.472 -12.620 1.00 25.00 N ATOM 124 CA ILE A 10 -2.446 -3.519 -13.529 1.00 25.00 C ATOM 125 C ILE A 10 -3.195 -2.444 -12.752 1.00 25.00 C ATOM 126 O ILE A 10 -4.184 -2.725 -12.079 1.00 25.00 O ATOM 127 CB ILE A 10 -3.459 -4.226 -14.491 1.00 25.00 C ATOM 128 CG1 ILE A 10 -2.802 -5.405 -15.246 1.00 25.00 C ATOM 129 CG2 ILE A 10 -4.056 -3.201 -15.489 1.00 25.00 C ATOM 130 CD1 ILE A 10 -1.738 -5.018 -16.267 1.00 25.00 C ATOM 0 H ILE A 10 -2.387 -5.275 -12.374 1.00 25.00 H new ATOM 0 HA ILE A 10 -1.647 -3.067 -14.117 1.00 25.00 H new ATOM 0 HB ILE A 10 -4.265 -4.637 -13.883 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -2.352 -6.077 -14.515 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -3.584 -5.967 -15.757 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -4.759 -3.706 -16.152 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -4.576 -2.417 -14.938 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -3.254 -2.758 -16.080 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -1.342 -5.917 -16.739 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -2.180 -4.374 -17.027 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -0.930 -4.485 -15.766 1.00 25.00 H new ATOM 142 N CYS A 11 -2.766 -1.201 -12.901 1.00 25.00 N ATOM 143 CA CYS A 11 -3.497 -0.072 -12.340 1.00 25.00 C ATOM 144 C CYS A 11 -4.335 0.550 -13.441 1.00 25.00 C ATOM 145 O CYS A 11 -3.814 1.203 -14.341 1.00 25.00 O ATOM 146 CB CYS A 11 -2.549 0.976 -11.762 1.00 25.00 C ATOM 147 SG CYS A 11 -2.069 0.620 -10.044 1.00 25.00 S ATOM 0 H CYS A 11 -1.916 -0.947 -13.405 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.130 -0.429 -11.527 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -1.653 1.030 -12.381 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -3.026 1.955 -11.806 1.00 25.00 H new ATOM 152 N SER A 12 -5.640 0.351 -13.358 1.00 25.00 N ATOM 153 CA SER A 12 -6.569 0.988 -14.287 1.00 25.00 C ATOM 154 C SER A 12 -6.643 2.465 -13.900 1.00 25.00 C ATOM 155 O SER A 12 -6.176 2.851 -12.825 1.00 25.00 O ATOM 156 CB SER A 12 -7.947 0.329 -14.204 1.00 25.00 C ATOM 157 OG SER A 12 -8.845 0.896 -15.147 1.00 25.00 O ATOM 0 H SER A 12 -6.083 -0.245 -12.659 1.00 25.00 H new ATOM 0 HA SER A 12 -6.228 0.880 -15.316 1.00 25.00 H new ATOM 0 HB2 SER A 12 -7.853 -0.742 -14.386 1.00 25.00 H new ATOM 0 HB3 SER A 12 -8.350 0.447 -13.198 1.00 25.00 H new ATOM 0 HG SER A 12 -9.637 1.237 -14.681 1.00 25.00 H new ATOM 163 N LEU A 13 -7.249 3.284 -14.750 1.00 25.00 N ATOM 164 CA LEU A 13 -7.342 4.729 -14.523 1.00 25.00 C ATOM 165 C LEU A 13 -7.922 5.103 -13.152 1.00 25.00 C ATOM 166 O LEU A 13 -7.548 6.114 -12.580 1.00 25.00 O ATOM 167 CB LEU A 13 -8.168 5.377 -15.645 1.00 25.00 C ATOM 168 CG LEU A 13 -9.669 5.037 -15.707 1.00 25.00 C ATOM 169 CD1 LEU A 13 -10.505 6.156 -15.086 1.00 25.00 C ATOM 170 CD2 LEU A 13 -10.093 4.814 -17.151 1.00 25.00 C ATOM 0 H LEU A 13 -7.690 2.971 -15.615 1.00 25.00 H new ATOM 0 HA LEU A 13 -6.322 5.113 -14.533 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -8.071 6.459 -15.553 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -7.720 5.097 -16.598 1.00 25.00 H new ATOM 0 HG LEU A 13 -9.838 4.123 -15.137 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -11.562 5.894 -15.141 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -10.218 6.289 -14.043 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -10.332 7.084 -15.631 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -11.156 4.574 -17.185 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -9.907 5.719 -17.729 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -9.521 3.989 -17.575 1.00 25.00 H new ATOM 182 N TYR A 14 -8.799 4.270 -12.612 1.00 25.00 N ATOM 183 CA TYR A 14 -9.418 4.539 -11.316 1.00 25.00 C ATOM 184 C TYR A 14 -8.392 4.519 -10.183 1.00 25.00 C ATOM 185 O TYR A 14 -8.442 5.326 -9.271 1.00 25.00 O ATOM 186 CB TYR A 14 -10.493 3.488 -11.051 1.00 25.00 C ATOM 187 CG TYR A 14 -11.374 3.241 -12.254 1.00 25.00 C ATOM 188 CD1 TYR A 14 -12.381 4.157 -12.616 1.00 25.00 C ATOM 189 CD2 TYR A 14 -11.197 2.089 -13.051 1.00 25.00 C ATOM 190 CE1 TYR A 14 -13.193 3.934 -13.763 1.00 25.00 C ATOM 191 CE2 TYR A 14 -12.006 1.863 -14.196 1.00 25.00 C ATOM 192 CZ TYR A 14 -12.991 2.791 -14.543 1.00 25.00 C ATOM 193 OH TYR A 14 -13.759 2.571 -15.656 1.00 25.00 O ATOM 0 H TYR A 14 -9.101 3.399 -13.050 1.00 25.00 H new ATOM 0 HA TYR A 14 -9.858 5.536 -11.347 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -10.017 2.553 -10.756 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -11.111 3.809 -10.213 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -12.539 5.040 -12.015 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -10.436 1.370 -12.786 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -13.962 4.644 -14.030 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -11.860 0.977 -14.796 1.00 25.00 H new ATOM 0 HH TYR A 14 -13.486 1.732 -16.081 1.00 25.00 H new ATOM 203 N GLN A 15 -7.445 3.597 -10.269 1.00 25.00 N ATOM 204 CA GLN A 15 -6.380 3.488 -9.275 1.00 25.00 C ATOM 205 C GLN A 15 -5.379 4.615 -9.479 1.00 25.00 C ATOM 206 O GLN A 15 -4.864 5.196 -8.531 1.00 25.00 O ATOM 207 CB GLN A 15 -5.661 2.145 -9.426 1.00 25.00 C ATOM 208 CG GLN A 15 -6.526 0.942 -9.073 1.00 25.00 C ATOM 209 CD GLN A 15 -6.884 0.913 -7.599 1.00 25.00 C ATOM 210 OE1 GLN A 15 -6.024 1.031 -6.745 1.00 25.00 O ATOM 211 NE2 GLN A 15 -8.149 0.771 -7.300 1.00 25.00 N ATOM 0 H GLN A 15 -7.390 2.909 -11.020 1.00 25.00 H new ATOM 0 HA GLN A 15 -6.815 3.555 -8.278 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -5.315 2.042 -10.454 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -4.776 2.144 -8.790 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -7.439 0.965 -9.668 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -5.997 0.026 -9.336 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -8.841 0.675 -8.043 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -8.444 0.756 -6.324 1.00 25.00 H new ATOM 220 N LEU A 16 -5.124 4.925 -10.738 1.00 25.00 N ATOM 221 CA LEU A 16 -4.184 5.979 -11.110 1.00 25.00 C ATOM 222 C LEU A 16 -4.645 7.367 -10.647 1.00 25.00 C ATOM 223 O LEU A 16 -3.822 8.186 -10.271 1.00 25.00 O ATOM 224 CB LEU A 16 -3.920 5.937 -12.617 1.00 25.00 C ATOM 225 CG LEU A 16 -3.127 4.695 -13.075 1.00 25.00 C ATOM 226 CD1 LEU A 16 -3.095 4.601 -14.588 1.00 25.00 C ATOM 227 CD2 LEU A 16 -1.691 4.714 -12.545 1.00 25.00 C ATOM 0 H LEU A 16 -5.559 4.457 -11.533 1.00 25.00 H new ATOM 0 HA LEU A 16 -3.245 5.790 -10.589 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -4.874 5.963 -13.144 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -3.372 6.834 -12.906 1.00 25.00 H new ATOM 0 HG LEU A 16 -3.640 3.825 -12.666 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -2.530 3.718 -14.886 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -4.113 4.526 -14.970 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -2.618 5.491 -14.998 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -1.165 3.824 -12.889 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -1.179 5.603 -12.913 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -1.706 4.729 -11.455 1.00 25.00 H new ATOM 239 N GLU A 17 -5.949 7.626 -10.654 1.00 25.00 N ATOM 240 CA GLU A 17 -6.495 8.912 -10.181 1.00 25.00 C ATOM 241 C GLU A 17 -6.023 9.287 -8.765 1.00 25.00 C ATOM 242 O GLU A 17 -5.899 10.460 -8.450 1.00 25.00 O ATOM 243 CB GLU A 17 -8.029 8.862 -10.174 1.00 25.00 C ATOM 244 CG GLU A 17 -8.691 9.084 -11.536 1.00 25.00 C ATOM 245 CD GLU A 17 -8.856 10.544 -11.867 1.00 25.00 C ATOM 246 OE1 GLU A 17 -9.515 11.307 -11.218 1.00 25.00 O ATOM 247 OE2 GLU A 17 -8.254 10.903 -12.952 1.00 25.00 O ATOM 0 H GLU A 17 -6.655 6.967 -10.981 1.00 25.00 H new ATOM 0 HA GLU A 17 -6.125 9.669 -10.873 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -8.344 7.893 -9.788 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -8.399 9.617 -9.480 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -8.091 8.605 -12.310 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -9.668 8.600 -11.545 1.00 25.00 H new ATOM 255 N ASN A 18 -5.730 8.294 -7.934 1.00 25.00 N ATOM 256 CA ASN A 18 -5.261 8.525 -6.558 1.00 25.00 C ATOM 257 C ASN A 18 -3.932 9.294 -6.476 1.00 25.00 C ATOM 258 O ASN A 18 -3.638 9.924 -5.472 1.00 25.00 O ATOM 259 CB ASN A 18 -5.131 7.201 -5.810 1.00 25.00 C ATOM 260 CG ASN A 18 -6.460 6.528 -5.588 1.00 25.00 C ATOM 261 OD1 ASN A 18 -7.371 7.104 -5.029 1.00 25.00 O ATOM 262 ND2 ASN A 18 -6.579 5.311 -6.034 1.00 25.00 N ATOM 0 H ASN A 18 -5.808 7.309 -8.185 1.00 25.00 H new ATOM 0 HA ASN A 18 -6.018 9.154 -6.089 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -4.479 6.533 -6.373 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -4.652 7.378 -4.847 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -7.460 4.809 -5.919 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -5.792 4.859 -6.499 1.00 25.00 H new ATOM 269 N TYR A 19 -3.103 9.188 -7.508 1.00 25.00 N ATOM 270 CA TYR A 19 -1.810 9.895 -7.553 1.00 25.00 C ATOM 271 C TYR A 19 -2.013 11.405 -7.764 1.00 25.00 C ATOM 272 O TYR A 19 -1.060 12.185 -7.761 1.00 25.00 O ATOM 273 CB TYR A 19 -0.984 9.377 -8.726 1.00 25.00 C ATOM 274 CG TYR A 19 -0.363 8.014 -8.537 1.00 25.00 C ATOM 275 CD1 TYR A 19 -1.083 6.837 -8.826 1.00 25.00 C ATOM 276 CD2 TYR A 19 0.972 7.891 -8.102 1.00 25.00 C ATOM 277 CE1 TYR A 19 -0.482 5.567 -8.695 1.00 25.00 C ATOM 278 CE2 TYR A 19 1.577 6.617 -7.970 1.00 25.00 C ATOM 279 CZ TYR A 19 0.844 5.469 -8.274 1.00 25.00 C ATOM 280 OH TYR A 19 1.425 4.235 -8.158 1.00 25.00 O ATOM 0 H TYR A 19 -3.296 8.619 -8.332 1.00 25.00 H new ATOM 0 HA TYR A 19 -1.303 9.719 -6.604 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -1.621 9.346 -9.610 1.00 25.00 H new ATOM 0 HB3 TYR A 19 -0.188 10.093 -8.931 1.00 25.00 H new ATOM 0 HD1 TYR A 19 -2.110 6.908 -9.153 1.00 25.00 H new ATOM 0 HD2 TYR A 19 1.540 8.779 -7.867 1.00 25.00 H new ATOM 0 HE1 TYR A 19 -1.047 4.674 -8.920 1.00 25.00 H new ATOM 0 HE2 TYR A 19 2.601 6.534 -7.636 1.00 25.00 H new ATOM 0 HH TYR A 19 0.860 3.565 -8.596 1.00 25.00 H new ATOM 290 N CYS A 20 -3.251 11.806 -8.004 1.00 25.00 N ATOM 291 CA CYS A 20 -3.585 13.196 -8.269 1.00 25.00 C ATOM 292 C CYS A 20 -4.374 13.724 -7.075 1.00 25.00 C ATOM 293 O CYS A 20 -5.176 13.010 -6.488 1.00 25.00 O ATOM 294 CB CYS A 20 -4.406 13.265 -9.557 1.00 25.00 C ATOM 295 SG CYS A 20 -3.630 12.269 -10.872 1.00 25.00 S ATOM 0 H CYS A 20 -4.053 11.176 -8.021 1.00 25.00 H new ATOM 0 HA CYS A 20 -2.692 13.807 -8.402 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -5.417 12.903 -9.369 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -4.493 14.301 -9.883 1.00 25.00 H new ATOM 300 N ASN A 21 -4.110 14.980 -6.683 1.00 25.00 N ATOM 301 CA ASN A 21 -4.708 15.638 -5.487 1.00 25.00 C ATOM 302 C ASN A 21 -4.319 14.992 -4.145 1.00 25.00 C ATOM 303 O ASN A 21 -3.775 15.629 -3.272 1.00 25.00 O ATOM 304 CB ASN A 21 -6.233 15.851 -5.605 1.00 25.00 C ATOM 305 CG ASN A 21 -6.823 16.216 -4.268 1.00 25.00 C ATOM 306 OD1 ASN A 21 -7.389 15.430 -3.557 1.00 25.00 O ATOM 307 ND2 ASN A 21 -6.711 17.484 -3.903 1.00 25.00 N ATOM 308 OXT ASN A 21 -4.569 13.720 -4.023 1.00 25.00 O ATOM 0 H ASN A 21 -3.465 15.586 -7.190 1.00 25.00 H new ATOM 0 HA ASN A 21 -4.252 16.628 -5.477 1.00 25.00 H new ATOM 0 HB2 ASN A 21 -6.440 16.640 -6.328 1.00 25.00 H new ATOM 0 HB3 ASN A 21 -6.704 14.943 -5.981 1.00 25.00 H new ATOM 0 HD21 ASN A 21 -7.106 17.796 -3.016 1.00 25.00 H new ATOM 0 HD22 ASN A 21 -6.230 18.149 -4.509 1.00 25.00 H new TER 316 ASN A 21 ATOM 317 N PHE B 1 -9.436 2.006 -22.027 1.00 25.00 N ATOM 318 CA PHE B 1 -8.108 2.037 -21.353 1.00 25.00 C ATOM 319 C PHE B 1 -7.283 0.843 -21.790 1.00 25.00 C ATOM 320 O PHE B 1 -7.854 -0.186 -22.107 1.00 25.00 O ATOM 321 CB PHE B 1 -8.306 2.017 -19.830 1.00 25.00 C ATOM 322 CG PHE B 1 -7.055 2.328 -19.049 1.00 25.00 C ATOM 323 CD1 PHE B 1 -6.631 3.662 -18.888 1.00 25.00 C ATOM 324 CD2 PHE B 1 -6.292 1.293 -18.472 1.00 25.00 C ATOM 325 CE1 PHE B 1 -5.449 3.964 -18.166 1.00 25.00 C ATOM 326 CE2 PHE B 1 -5.107 1.587 -17.748 1.00 25.00 C ATOM 327 CZ PHE B 1 -4.685 2.924 -17.603 1.00 25.00 C ATOM 0 H1 PHE B 1 -10.185 2.180 -21.327 1.00 25.00 H new ATOM 0 H2 PHE B 1 -9.470 2.742 -22.761 1.00 25.00 H new ATOM 0 H3 PHE B 1 -9.581 1.074 -22.465 1.00 25.00 H new ATOM 0 HA PHE B 1 -7.580 2.949 -21.631 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -9.078 2.739 -19.564 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -8.673 1.034 -19.534 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -7.213 4.463 -19.319 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -6.612 0.267 -18.582 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -5.135 4.991 -18.048 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.529 0.787 -17.309 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.778 3.150 -17.062 1.00 25.00 H new ATOM 339 N VAL B 2 -5.963 0.976 -21.843 1.00 25.00 N ATOM 340 CA VAL B 2 -5.095 -0.126 -22.264 1.00 25.00 C ATOM 341 C VAL B 2 -4.390 -0.660 -21.029 1.00 25.00 C ATOM 342 O VAL B 2 -3.719 0.090 -20.322 1.00 25.00 O ATOM 343 CB VAL B 2 -4.033 0.347 -23.304 1.00 25.00 C ATOM 344 CG1 VAL B 2 -3.130 -0.822 -23.738 1.00 25.00 C ATOM 345 CG2 VAL B 2 -4.727 0.949 -24.539 1.00 25.00 C ATOM 0 H VAL B 2 -5.467 1.834 -21.601 1.00 25.00 H new ATOM 0 HA VAL B 2 -5.700 -0.898 -22.739 1.00 25.00 H new ATOM 0 HB VAL B 2 -3.414 1.109 -22.830 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -2.398 -0.467 -24.463 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -2.612 -1.224 -22.867 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -3.740 -1.604 -24.191 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -3.974 1.275 -25.257 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -5.366 0.196 -25.000 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -5.333 1.803 -24.236 1.00 25.00 H new ATOM 355 N ASN B 3 -4.566 -1.941 -20.744 1.00 25.00 N ATOM 356 CA ASN B 3 -3.949 -2.532 -19.563 1.00 25.00 C ATOM 357 C ASN B 3 -2.466 -2.705 -19.770 1.00 25.00 C ATOM 358 O ASN B 3 -2.027 -3.289 -20.753 1.00 25.00 O ATOM 359 CB ASN B 3 -4.522 -3.910 -19.251 1.00 25.00 C ATOM 360 CG ASN B 3 -5.942 -3.845 -18.750 1.00 25.00 C ATOM 361 OD1 ASN B 3 -6.362 -2.853 -18.175 1.00 25.00 O ATOM 362 ND2 ASN B 3 -6.690 -4.890 -18.974 1.00 25.00 N ATOM 0 H ASN B 3 -5.123 -2.586 -21.305 1.00 25.00 H new ATOM 0 HA ASN B 3 -4.154 -1.851 -18.737 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -4.485 -4.527 -20.149 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -3.898 -4.398 -18.502 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -7.662 -4.897 -18.665 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -6.303 -5.700 -19.458 1.00 25.00 H new ATOM 369 N GLN B 4 -1.703 -2.239 -18.801 1.00 25.00 N ATOM 370 CA GLN B 4 -0.271 -2.414 -18.784 1.00 25.00 C ATOM 371 C GLN B 4 0.123 -2.204 -17.341 1.00 25.00 C ATOM 372 O GLN B 4 -0.545 -1.476 -16.612 1.00 25.00 O ATOM 373 CB GLN B 4 0.420 -1.381 -19.698 1.00 25.00 C ATOM 374 CG GLN B 4 -0.009 0.067 -19.445 1.00 25.00 C ATOM 375 CD GLN B 4 0.656 1.046 -20.383 1.00 25.00 C ATOM 376 OE1 GLN B 4 1.854 1.303 -20.299 1.00 25.00 O ATOM 377 NE2 GLN B 4 -0.117 1.614 -21.271 1.00 25.00 N ATOM 0 H GLN B 4 -2.066 -1.725 -17.999 1.00 25.00 H new ATOM 0 HA GLN B 4 0.028 -3.395 -19.154 1.00 25.00 H new ATOM 0 HB2 GLN B 4 1.499 -1.457 -19.563 1.00 25.00 H new ATOM 0 HB3 GLN B 4 0.210 -1.634 -20.737 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -1.091 0.145 -19.553 1.00 25.00 H new ATOM 0 HG3 GLN B 4 0.229 0.337 -18.416 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -1.108 1.376 -21.311 1.00 25.00 H new ATOM 0 HE22 GLN B 4 0.271 2.295 -21.923 1.00 25.00 H new ATOM 386 N HIS B 5 1.206 -2.831 -16.927 1.00 25.00 N ATOM 387 CA HIS B 5 1.814 -2.501 -15.638 1.00 25.00 C ATOM 388 C HIS B 5 2.486 -1.138 -15.804 1.00 25.00 C ATOM 389 O HIS B 5 3.011 -0.834 -16.875 1.00 25.00 O ATOM 390 CB HIS B 5 2.844 -3.557 -15.239 1.00 25.00 C ATOM 391 CG HIS B 5 2.270 -4.935 -15.138 1.00 25.00 C ATOM 392 ND1 HIS B 5 1.142 -5.236 -14.397 1.00 25.00 N ATOM 393 CD2 HIS B 5 2.641 -6.114 -15.684 1.00 25.00 C ATOM 394 CE1 HIS B 5 0.879 -6.534 -14.513 1.00 25.00 C ATOM 395 NE2 HIS B 5 1.776 -7.077 -15.279 1.00 25.00 N ATOM 0 H HIS B 5 1.684 -3.564 -17.451 1.00 25.00 H new ATOM 0 HA HIS B 5 1.060 -2.474 -14.851 1.00 25.00 H new ATOM 0 HB2 HIS B 5 3.653 -3.560 -15.970 1.00 25.00 H new ATOM 0 HB3 HIS B 5 3.283 -3.282 -14.280 1.00 25.00 H new ATOM 0 HD2 HIS B 5 3.488 -6.265 -16.337 1.00 25.00 H new ATOM 0 HE1 HIS B 5 0.054 -7.052 -14.046 1.00 25.00 H new ATOM 0 HE2 HIS B 5 1.822 -8.064 -15.534 1.00 25.00 H new ATOM 404 N LEU B 6 2.451 -0.317 -14.767 1.00 25.00 N ATOM 405 CA LEU B 6 3.015 1.027 -14.809 1.00 25.00 C ATOM 406 C LEU B 6 4.089 1.200 -13.748 1.00 25.00 C ATOM 407 O LEU B 6 3.795 1.258 -12.560 1.00 25.00 O ATOM 408 CB LEU B 6 1.919 2.062 -14.541 1.00 25.00 C ATOM 409 CG LEU B 6 0.980 2.553 -15.652 1.00 25.00 C ATOM 410 CD1 LEU B 6 1.600 2.479 -17.046 1.00 25.00 C ATOM 411 CD2 LEU B 6 -0.333 1.820 -15.635 1.00 25.00 C ATOM 0 H LEU B 6 2.031 -0.562 -13.870 1.00 25.00 H new ATOM 0 HA LEU B 6 3.449 1.172 -15.798 1.00 25.00 H new ATOM 0 HB2 LEU B 6 1.287 1.655 -13.751 1.00 25.00 H new ATOM 0 HB3 LEU B 6 2.412 2.944 -14.132 1.00 25.00 H new ATOM 0 HG LEU B 6 0.802 3.606 -15.433 1.00 25.00 H new ATOM 0 HD11 LEU B 6 0.883 2.841 -17.783 1.00 25.00 H new ATOM 0 HD12 LEU B 6 2.497 3.097 -17.079 1.00 25.00 H new ATOM 0 HD13 LEU B 6 1.863 1.446 -17.273 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -0.970 2.196 -16.436 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -0.157 0.754 -15.781 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -0.825 1.978 -14.675 1.00 25.00 H new ATOM 423 N CYS B 7 5.331 1.332 -14.185 1.00 25.00 N ATOM 424 CA CYS B 7 6.443 1.543 -13.266 1.00 25.00 C ATOM 425 C CYS B 7 7.431 2.501 -13.917 1.00 25.00 C ATOM 426 O CYS B 7 7.491 2.589 -15.145 1.00 25.00 O ATOM 427 CB CYS B 7 7.109 0.201 -12.954 1.00 25.00 C ATOM 428 SG CYS B 7 7.852 0.125 -11.293 1.00 25.00 S ATOM 0 H CYS B 7 5.597 1.297 -15.169 1.00 25.00 H new ATOM 0 HA CYS B 7 6.090 1.974 -12.329 1.00 25.00 H new ATOM 0 HB2 CYS B 7 6.369 -0.593 -13.048 1.00 25.00 H new ATOM 0 HB3 CYS B 7 7.882 0.007 -13.698 1.00 25.00 H new ATOM 433 N GLY B 8 8.189 3.233 -13.113 1.00 25.00 N ATOM 434 CA GLY B 8 9.149 4.182 -13.661 1.00 25.00 C ATOM 435 C GLY B 8 8.465 5.271 -14.466 1.00 25.00 C ATOM 436 O GLY B 8 7.359 5.692 -14.138 1.00 25.00 O ATOM 0 H GLY B 8 8.160 3.190 -12.094 1.00 25.00 H new ATOM 0 HA2 GLY B 8 9.719 4.633 -12.849 1.00 25.00 H new ATOM 0 HA3 GLY B 8 9.861 3.654 -14.295 1.00 25.00 H new ATOM 440 N SER B 9 9.097 5.697 -15.551 1.00 25.00 N ATOM 441 CA SER B 9 8.537 6.737 -16.420 1.00 25.00 C ATOM 442 C SER B 9 7.177 6.343 -17.012 1.00 25.00 C ATOM 443 O SER B 9 6.328 7.195 -17.239 1.00 25.00 O ATOM 444 CB SER B 9 9.518 7.051 -17.554 1.00 25.00 C ATOM 445 OG SER B 9 9.015 8.078 -18.387 1.00 25.00 O ATOM 0 H SER B 9 10.002 5.340 -15.856 1.00 25.00 H new ATOM 0 HA SER B 9 8.379 7.620 -15.801 1.00 25.00 H new ATOM 0 HB2 SER B 9 10.478 7.354 -17.136 1.00 25.00 H new ATOM 0 HB3 SER B 9 9.697 6.153 -18.145 1.00 25.00 H new ATOM 0 HG SER B 9 9.658 8.263 -19.103 1.00 25.00 H new ATOM 451 N HIS B 10 6.937 5.050 -17.208 1.00 25.00 N ATOM 452 CA HIS B 10 5.644 4.595 -17.738 1.00 25.00 C ATOM 453 C HIS B 10 4.502 5.026 -16.822 1.00 25.00 C ATOM 454 O HIS B 10 3.432 5.385 -17.293 1.00 25.00 O ATOM 455 CB HIS B 10 5.619 3.068 -17.898 1.00 25.00 C ATOM 456 CG HIS B 10 5.694 2.609 -19.321 1.00 25.00 C ATOM 457 ND1 HIS B 10 4.579 2.235 -20.079 1.00 25.00 N ATOM 458 CD2 HIS B 10 6.751 2.428 -20.156 1.00 25.00 C ATOM 459 CE1 HIS B 10 4.985 1.869 -21.288 1.00 25.00 C ATOM 460 NE2 HIS B 10 6.287 1.982 -21.355 1.00 25.00 N ATOM 0 H HIS B 10 7.605 4.305 -17.013 1.00 25.00 H new ATOM 0 HA HIS B 10 5.512 5.055 -18.717 1.00 25.00 H new ATOM 0 HB2 HIS B 10 6.454 2.640 -17.343 1.00 25.00 H new ATOM 0 HB3 HIS B 10 4.705 2.680 -17.448 1.00 25.00 H new ATOM 0 HD1 HIS B 10 3.612 2.242 -19.755 1.00 25.00 H new ATOM 0 HD2 HIS B 10 7.787 2.608 -19.909 1.00 25.00 H new ATOM 0 HE1 HIS B 10 4.344 1.532 -22.089 1.00 25.00 H new ATOM 469 N LEU B 11 4.742 5.008 -15.518 1.00 25.00 N ATOM 470 CA LEU B 11 3.725 5.411 -14.548 1.00 25.00 C ATOM 471 C LEU B 11 3.454 6.904 -14.657 1.00 25.00 C ATOM 472 O LEU B 11 2.310 7.325 -14.696 1.00 25.00 O ATOM 473 CB LEU B 11 4.195 5.045 -13.132 1.00 25.00 C ATOM 474 CG LEU B 11 3.294 5.378 -11.928 1.00 25.00 C ATOM 475 CD1 LEU B 11 1.871 4.865 -12.064 1.00 25.00 C ATOM 476 CD2 LEU B 11 3.932 4.755 -10.690 1.00 25.00 C ATOM 0 H LEU B 11 5.629 4.720 -15.105 1.00 25.00 H new ATOM 0 HA LEU B 11 2.795 4.883 -14.759 1.00 25.00 H new ATOM 0 HB2 LEU B 11 4.379 3.971 -13.116 1.00 25.00 H new ATOM 0 HB3 LEU B 11 5.154 5.536 -12.968 1.00 25.00 H new ATOM 0 HG LEU B 11 3.219 6.463 -11.861 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.299 5.139 -11.177 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.407 5.308 -12.946 1.00 25.00 H new ATOM 0 HD13 LEU B 11 1.884 3.780 -12.167 1.00 25.00 H new ATOM 0 HD21 LEU B 11 3.318 4.972 -9.816 1.00 25.00 H new ATOM 0 HD22 LEU B 11 4.006 3.676 -10.823 1.00 25.00 H new ATOM 0 HD23 LEU B 11 4.929 5.172 -10.546 1.00 25.00 H new ATOM 488 N VAL B 12 4.510 7.689 -14.767 1.00 25.00 N ATOM 489 CA VAL B 12 4.384 9.141 -14.892 1.00 25.00 C ATOM 490 C VAL B 12 3.611 9.513 -16.160 1.00 25.00 C ATOM 491 O VAL B 12 2.710 10.344 -16.132 1.00 25.00 O ATOM 492 CB VAL B 12 5.793 9.802 -14.929 1.00 25.00 C ATOM 493 CG1 VAL B 12 5.686 11.319 -15.044 1.00 25.00 C ATOM 494 CG2 VAL B 12 6.588 9.424 -13.665 1.00 25.00 C ATOM 0 H VAL B 12 5.472 7.349 -14.773 1.00 25.00 H new ATOM 0 HA VAL B 12 3.834 9.508 -14.025 1.00 25.00 H new ATOM 0 HB VAL B 12 6.318 9.430 -15.809 1.00 25.00 H new ATOM 0 HG11 VAL B 12 6.685 11.753 -15.068 1.00 25.00 H new ATOM 0 HG12 VAL B 12 5.156 11.578 -15.961 1.00 25.00 H new ATOM 0 HG13 VAL B 12 5.140 11.711 -14.186 1.00 25.00 H new ATOM 0 HG21 VAL B 12 7.572 9.891 -13.701 1.00 25.00 H new ATOM 0 HG22 VAL B 12 6.053 9.772 -12.781 1.00 25.00 H new ATOM 0 HG23 VAL B 12 6.702 8.341 -13.617 1.00 25.00 H new ATOM 504 N GLU B 13 3.943 8.871 -17.268 1.00 25.00 N ATOM 505 CA GLU B 13 3.284 9.166 -18.538 1.00 25.00 C ATOM 506 C GLU B 13 1.820 8.743 -18.524 1.00 25.00 C ATOM 507 O GLU B 13 0.979 9.375 -19.155 1.00 25.00 O ATOM 508 CB GLU B 13 4.024 8.474 -19.686 1.00 25.00 C ATOM 509 CG GLU B 13 5.409 9.074 -19.949 1.00 25.00 C ATOM 510 CD GLU B 13 5.344 10.533 -20.302 1.00 25.00 C ATOM 511 OE1 GLU B 13 4.696 10.969 -21.201 1.00 25.00 O ATOM 512 OE2 GLU B 13 6.043 11.284 -19.526 1.00 25.00 O ATOM 0 H GLU B 13 4.659 8.147 -17.318 1.00 25.00 H new ATOM 0 HA GLU B 13 3.314 10.245 -18.687 1.00 25.00 H new ATOM 0 HB2 GLU B 13 4.130 7.414 -19.456 1.00 25.00 H new ATOM 0 HB3 GLU B 13 3.424 8.545 -20.593 1.00 25.00 H new ATOM 0 HG2 GLU B 13 6.032 8.945 -19.064 1.00 25.00 H new ATOM 0 HG3 GLU B 13 5.890 8.528 -20.760 1.00 25.00 H new ATOM 520 N ALA B 14 1.496 7.700 -17.776 1.00 25.00 N ATOM 521 CA ALA B 14 0.112 7.261 -17.676 1.00 25.00 C ATOM 522 C ALA B 14 -0.711 8.296 -16.913 1.00 25.00 C ATOM 523 O ALA B 14 -1.870 8.537 -17.229 1.00 25.00 O ATOM 524 CB ALA B 14 0.049 5.919 -16.979 1.00 25.00 C ATOM 0 H ALA B 14 2.162 7.148 -17.236 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.304 7.157 -18.678 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -0.989 5.595 -16.907 1.00 25.00 H new ATOM 0 HB2 ALA B 14 0.619 5.186 -17.549 1.00 25.00 H new ATOM 0 HB3 ALA B 14 0.472 6.009 -15.978 1.00 25.00 H new ATOM 530 N LEU B 15 -0.109 8.896 -15.897 1.00 25.00 N ATOM 531 CA LEU B 15 -0.807 9.871 -15.065 1.00 25.00 C ATOM 532 C LEU B 15 -1.173 11.134 -15.831 1.00 25.00 C ATOM 533 O LEU B 15 -2.239 11.708 -15.592 1.00 25.00 O ATOM 534 CB LEU B 15 0.048 10.219 -13.846 1.00 25.00 C ATOM 535 CG LEU B 15 0.186 9.092 -12.810 1.00 25.00 C ATOM 536 CD1 LEU B 15 1.217 9.434 -11.742 1.00 25.00 C ATOM 537 CD2 LEU B 15 -1.151 8.826 -12.181 1.00 25.00 C ATOM 0 H LEU B 15 0.860 8.727 -15.627 1.00 25.00 H new ATOM 0 HA LEU B 15 -1.742 9.414 -14.741 1.00 25.00 H new ATOM 0 HB2 LEU B 15 1.043 10.503 -14.188 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.382 11.093 -13.356 1.00 25.00 H new ATOM 0 HG LEU B 15 0.535 8.195 -13.322 1.00 25.00 H new ATOM 0 HD11 LEU B 15 1.287 8.614 -11.028 1.00 25.00 H new ATOM 0 HD12 LEU B 15 2.188 9.590 -12.211 1.00 25.00 H new ATOM 0 HD13 LEU B 15 0.915 10.343 -11.222 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.055 8.027 -11.446 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -1.508 9.731 -11.689 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -1.862 8.527 -12.951 1.00 25.00 H new ATOM 549 N TYR B 16 -0.354 11.512 -16.807 1.00 25.00 N ATOM 550 CA TYR B 16 -0.678 12.650 -17.673 1.00 25.00 C ATOM 551 C TYR B 16 -1.996 12.397 -18.390 1.00 25.00 C ATOM 552 O TYR B 16 -2.816 13.287 -18.525 1.00 25.00 O ATOM 553 CB TYR B 16 0.408 12.877 -18.733 1.00 25.00 C ATOM 554 CG TYR B 16 1.567 13.726 -18.263 1.00 25.00 C ATOM 555 CD1 TYR B 16 1.439 15.130 -18.177 1.00 25.00 C ATOM 556 CD2 TYR B 16 2.803 13.144 -17.916 1.00 25.00 C ATOM 557 CE1 TYR B 16 2.524 15.936 -17.737 1.00 25.00 C ATOM 558 CE2 TYR B 16 3.893 13.951 -17.486 1.00 25.00 C ATOM 559 CZ TYR B 16 3.738 15.337 -17.397 1.00 25.00 C ATOM 560 OH TYR B 16 4.780 16.120 -16.971 1.00 25.00 O ATOM 0 H TYR B 16 0.532 11.055 -17.020 1.00 25.00 H new ATOM 0 HA TYR B 16 -0.747 13.533 -17.038 1.00 25.00 H new ATOM 0 HB2 TYR B 16 0.790 11.909 -19.058 1.00 25.00 H new ATOM 0 HB3 TYR B 16 -0.044 13.350 -19.604 1.00 25.00 H new ATOM 0 HD1 TYR B 16 0.504 15.597 -18.449 1.00 25.00 H new ATOM 0 HD2 TYR B 16 2.924 12.073 -17.977 1.00 25.00 H new ATOM 0 HE1 TYR B 16 2.409 17.008 -17.666 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.837 13.494 -17.229 1.00 25.00 H new ATOM 0 HH TYR B 16 5.555 15.554 -16.772 1.00 25.00 H new ATOM 570 N LEU B 17 -2.201 11.172 -18.852 1.00 25.00 N ATOM 571 CA LEU B 17 -3.433 10.833 -19.558 1.00 25.00 C ATOM 572 C LEU B 17 -4.642 10.767 -18.633 1.00 25.00 C ATOM 573 O LEU B 17 -5.728 11.209 -18.977 1.00 25.00 O ATOM 574 CB LEU B 17 -3.304 9.470 -20.226 1.00 25.00 C ATOM 575 CG LEU B 17 -2.192 9.281 -21.267 1.00 25.00 C ATOM 576 CD1 LEU B 17 -2.103 7.797 -21.635 1.00 25.00 C ATOM 577 CD2 LEU B 17 -2.443 10.119 -22.521 1.00 25.00 C ATOM 0 H LEU B 17 -1.539 10.402 -18.754 1.00 25.00 H new ATOM 0 HA LEU B 17 -3.585 11.626 -20.291 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -3.158 8.726 -19.442 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -4.255 9.243 -20.708 1.00 25.00 H new ATOM 0 HG LEU B 17 -1.250 9.619 -20.834 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.315 7.652 -22.374 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -1.875 7.214 -20.743 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -3.055 7.467 -22.050 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -1.634 9.958 -23.234 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -3.390 9.823 -22.973 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -2.484 11.174 -22.251 1.00 25.00 H new ATOM 589 N VAL B 18 -4.460 10.122 -17.492 1.00 25.00 N ATOM 590 CA VAL B 18 -5.571 9.828 -16.586 1.00 25.00 C ATOM 591 C VAL B 18 -6.107 11.070 -15.911 1.00 25.00 C ATOM 592 O VAL B 18 -7.320 11.258 -15.807 1.00 25.00 O ATOM 593 CB VAL B 18 -5.121 8.811 -15.509 1.00 25.00 C ATOM 594 CG1 VAL B 18 -6.171 8.651 -14.410 1.00 25.00 C ATOM 595 CG2 VAL B 18 -4.858 7.476 -16.168 1.00 25.00 C ATOM 0 H VAL B 18 -3.553 9.789 -17.166 1.00 25.00 H new ATOM 0 HA VAL B 18 -6.374 9.406 -17.190 1.00 25.00 H new ATOM 0 HB VAL B 18 -4.210 9.186 -15.042 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -5.819 7.929 -13.673 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -6.339 9.612 -13.925 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -7.104 8.297 -14.847 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -4.541 6.755 -15.415 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -5.770 7.121 -16.648 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -4.074 7.588 -16.917 1.00 25.00 H new ATOM 605 N CYS B 19 -5.211 11.910 -15.430 1.00 25.00 N ATOM 606 CA CYS B 19 -5.628 13.115 -14.727 1.00 25.00 C ATOM 607 C CYS B 19 -5.679 14.314 -15.669 1.00 25.00 C ATOM 608 O CYS B 19 -6.245 15.361 -15.330 1.00 25.00 O ATOM 609 CB CYS B 19 -4.734 13.345 -13.514 1.00 25.00 C ATOM 610 SG CYS B 19 -5.065 12.046 -12.277 1.00 25.00 S ATOM 0 H CYS B 19 -4.202 11.786 -15.510 1.00 25.00 H new ATOM 0 HA CYS B 19 -6.645 12.983 -14.358 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -3.685 13.324 -13.810 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -4.925 14.329 -13.087 1.00 25.00 H new ATOM 615 N GLY B 20 -5.182 14.137 -16.884 1.00 25.00 N ATOM 616 CA GLY B 20 -5.294 15.183 -17.881 1.00 25.00 C ATOM 617 C GLY B 20 -4.627 16.482 -17.477 1.00 25.00 C ATOM 618 O GLY B 20 -3.600 16.513 -16.800 1.00 25.00 O ATOM 0 H GLY B 20 -4.705 13.292 -17.197 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -4.852 14.833 -18.814 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -6.349 15.373 -18.079 1.00 25.00 H new ATOM 622 N GLU B 21 -5.243 17.575 -17.898 1.00 25.00 N ATOM 623 CA GLU B 21 -4.703 18.914 -17.683 1.00 25.00 C ATOM 624 C GLU B 21 -4.699 19.403 -16.228 1.00 25.00 C ATOM 625 O GLU B 21 -4.150 20.462 -15.953 1.00 25.00 O ATOM 626 CB GLU B 21 -5.501 19.913 -18.531 1.00 25.00 C ATOM 627 CG GLU B 21 -5.387 19.669 -20.037 1.00 25.00 C ATOM 628 CD GLU B 21 -6.187 20.654 -20.838 1.00 25.00 C ATOM 629 OE1 GLU B 21 -7.356 20.847 -20.679 1.00 25.00 O ATOM 630 OE2 GLU B 21 -5.501 21.273 -21.730 1.00 25.00 O ATOM 0 H GLU B 21 -6.132 17.562 -18.399 1.00 25.00 H new ATOM 0 HA GLU B 21 -3.655 18.852 -17.976 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -6.551 19.864 -18.242 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -5.156 20.923 -18.308 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -4.340 19.729 -20.334 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -5.726 18.659 -20.265 1.00 25.00 H new ATOM 638 N ARG B 22 -5.298 18.667 -15.291 1.00 25.00 N ATOM 639 CA ARG B 22 -5.324 19.130 -13.900 1.00 25.00 C ATOM 640 C ARG B 22 -3.959 18.956 -13.223 1.00 25.00 C ATOM 641 O ARG B 22 -3.712 19.520 -12.160 1.00 25.00 O ATOM 642 CB ARG B 22 -6.418 18.408 -13.111 1.00 25.00 C ATOM 643 CG ARG B 22 -5.950 17.152 -12.401 1.00 25.00 C ATOM 644 CD ARG B 22 -7.100 16.381 -11.849 1.00 25.00 C ATOM 645 NE ARG B 22 -7.734 15.561 -12.885 1.00 25.00 N ATOM 646 CZ ARG B 22 -8.509 14.506 -12.659 1.00 25.00 C ATOM 647 NH1 ARG B 22 -8.796 14.098 -11.449 1.00 25.00 N ATOM 648 NH2 ARG B 22 -8.992 13.842 -13.669 1.00 25.00 N ATOM 0 H ARG B 22 -5.760 17.773 -15.460 1.00 25.00 H new ATOM 0 HA ARG B 22 -5.552 20.196 -13.910 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -6.832 19.096 -12.373 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -7.228 18.146 -13.792 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -5.390 16.526 -13.096 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -5.269 17.421 -11.594 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -6.756 15.742 -11.036 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -7.833 17.068 -11.426 1.00 25.00 H new ATOM 0 HE ARG B 22 -7.567 15.821 -13.857 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -8.421 14.595 -10.641 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -9.395 13.283 -11.314 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -8.774 14.133 -14.622 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -9.588 13.030 -13.508 1.00 25.00 H new ATOM 662 N GLY B 23 -3.092 18.160 -13.836 1.00 25.00 N ATOM 663 CA GLY B 23 -1.791 17.873 -13.254 1.00 25.00 C ATOM 664 C GLY B 23 -1.867 16.744 -12.244 1.00 25.00 C ATOM 665 O GLY B 23 -2.943 16.210 -11.969 1.00 25.00 O ATOM 0 H GLY B 23 -3.267 17.704 -14.732 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -1.089 17.608 -14.044 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -1.403 18.769 -12.770 1.00 25.00 H new ATOM 669 N PHE B 24 -0.719 16.347 -11.716 1.00 25.00 N ATOM 670 CA PHE B 24 -0.628 15.239 -10.770 1.00 25.00 C ATOM 671 C PHE B 24 0.734 15.326 -10.106 1.00 25.00 C ATOM 672 O PHE B 24 1.558 16.150 -10.503 1.00 25.00 O ATOM 673 CB PHE B 24 -0.754 13.899 -11.501 1.00 25.00 C ATOM 674 CG PHE B 24 0.348 13.636 -12.472 1.00 25.00 C ATOM 675 CD1 PHE B 24 0.258 14.096 -13.793 1.00 25.00 C ATOM 676 CD2 PHE B 24 1.474 12.901 -12.079 1.00 25.00 C ATOM 677 CE1 PHE B 24 1.290 13.838 -14.711 1.00 25.00 C ATOM 678 CE2 PHE B 24 2.508 12.623 -12.987 1.00 25.00 C ATOM 679 CZ PHE B 24 2.421 13.098 -14.309 1.00 25.00 C ATOM 0 H PHE B 24 0.178 16.783 -11.930 1.00 25.00 H new ATOM 0 HA PHE B 24 -1.431 15.301 -10.036 1.00 25.00 H new ATOM 0 HB2 PHE B 24 -0.777 13.095 -10.765 1.00 25.00 H new ATOM 0 HB3 PHE B 24 -1.706 13.873 -12.031 1.00 25.00 H new ATOM 0 HD1 PHE B 24 -0.612 14.653 -14.108 1.00 25.00 H new ATOM 0 HD2 PHE B 24 1.548 12.543 -11.063 1.00 25.00 H new ATOM 0 HE1 PHE B 24 1.217 14.206 -15.724 1.00 25.00 H new ATOM 0 HE2 PHE B 24 3.366 12.047 -12.673 1.00 25.00 H new ATOM 0 HZ PHE B 24 3.216 12.897 -15.012 1.00 25.00 H new ATOM 689 N PHE B 25 0.997 14.446 -9.152 1.00 25.00 N ATOM 690 CA PHE B 25 2.314 14.345 -8.537 1.00 25.00 C ATOM 691 C PHE B 25 2.684 12.871 -8.502 1.00 25.00 C ATOM 692 O PHE B 25 1.851 12.005 -8.754 1.00 25.00 O ATOM 693 CB PHE B 25 2.312 14.949 -7.126 1.00 25.00 C ATOM 694 CG PHE B 25 1.273 14.356 -6.213 1.00 25.00 C ATOM 695 CD1 PHE B 25 1.512 13.141 -5.538 1.00 25.00 C ATOM 696 CD2 PHE B 25 0.049 15.019 -6.007 1.00 25.00 C ATOM 697 CE1 PHE B 25 0.533 12.586 -4.677 1.00 25.00 C ATOM 698 CE2 PHE B 25 -0.930 14.480 -5.141 1.00 25.00 C ATOM 699 CZ PHE B 25 -0.690 13.258 -4.481 1.00 25.00 C ATOM 0 H PHE B 25 0.311 13.787 -8.784 1.00 25.00 H new ATOM 0 HA PHE B 25 3.048 14.907 -9.114 1.00 25.00 H new ATOM 0 HB2 PHE B 25 3.297 14.809 -6.680 1.00 25.00 H new ATOM 0 HB3 PHE B 25 2.146 16.024 -7.201 1.00 25.00 H new ATOM 0 HD1 PHE B 25 2.452 12.628 -5.679 1.00 25.00 H new ATOM 0 HD2 PHE B 25 -0.145 15.951 -6.517 1.00 25.00 H new ATOM 0 HE1 PHE B 25 0.724 11.650 -4.172 1.00 25.00 H new ATOM 0 HE2 PHE B 25 -1.861 15.004 -4.985 1.00 25.00 H new ATOM 0 HZ PHE B 25 -1.441 12.838 -3.828 1.00 25.00 H new ATOM 709 N TYR B 26 3.933 12.581 -8.188 1.00 25.00 N ATOM 710 CA TYR B 26 4.395 11.206 -8.089 1.00 25.00 C ATOM 711 C TYR B 26 5.124 11.064 -6.767 1.00 25.00 C ATOM 712 O TYR B 26 5.752 12.002 -6.300 1.00 25.00 O ATOM 713 CB TYR B 26 5.313 10.858 -9.264 1.00 25.00 C ATOM 714 CG TYR B 26 5.988 9.514 -9.101 1.00 25.00 C ATOM 715 CD1 TYR B 26 5.227 8.327 -8.998 1.00 25.00 C ATOM 716 CD2 TYR B 26 7.391 9.419 -9.015 1.00 25.00 C ATOM 717 CE1 TYR B 26 5.862 7.074 -8.799 1.00 25.00 C ATOM 718 CE2 TYR B 26 8.026 8.164 -8.838 1.00 25.00 C ATOM 719 CZ TYR B 26 7.255 7.005 -8.726 1.00 25.00 C ATOM 720 OH TYR B 26 7.878 5.796 -8.546 1.00 25.00 O ATOM 0 H TYR B 26 4.649 13.281 -7.996 1.00 25.00 H new ATOM 0 HA TYR B 26 3.552 10.516 -8.129 1.00 25.00 H new ATOM 0 HB2 TYR B 26 4.732 10.858 -10.186 1.00 25.00 H new ATOM 0 HB3 TYR B 26 6.074 11.632 -9.367 1.00 25.00 H new ATOM 0 HD1 TYR B 26 4.151 8.375 -9.072 1.00 25.00 H new ATOM 0 HD2 TYR B 26 7.991 10.314 -9.085 1.00 25.00 H new ATOM 0 HE1 TYR B 26 5.270 6.176 -8.704 1.00 25.00 H new ATOM 0 HE2 TYR B 26 9.103 8.104 -8.790 1.00 25.00 H new ATOM 0 HH TYR B 26 8.849 5.929 -8.519 1.00 25.00 H new ATOM 730 N THR B 27 5.008 9.889 -6.169 1.00 25.00 N ATOM 731 CA THR B 27 5.630 9.573 -4.883 1.00 25.00 C ATOM 732 C THR B 27 6.823 8.629 -5.134 1.00 25.00 C ATOM 733 O THR B 27 6.651 7.420 -5.348 1.00 25.00 O ATOM 734 CB THR B 27 4.602 8.913 -3.927 1.00 25.00 C ATOM 735 OG1 THR B 27 5.248 7.957 -3.082 1.00 25.00 O ATOM 736 CG2 THR B 27 3.524 8.206 -4.714 1.00 25.00 C ATOM 0 H THR B 27 4.474 9.115 -6.564 1.00 25.00 H new ATOM 0 HA THR B 27 5.980 10.490 -4.408 1.00 25.00 H new ATOM 0 HB THR B 27 4.157 9.702 -3.321 1.00 25.00 H new ATOM 0 HG1 THR B 27 4.587 7.550 -2.484 1.00 25.00 H new ATOM 0 HG21 THR B 27 2.812 7.749 -4.027 1.00 25.00 H new ATOM 0 HG22 THR B 27 3.006 8.925 -5.348 1.00 25.00 H new ATOM 0 HG23 THR B 27 3.975 7.433 -5.336 1.00 25.00 H new ATOM 744 N PRO B 28 8.043 9.176 -5.181 1.00 25.00 N ATOM 745 CA PRO B 28 9.235 8.368 -5.441 1.00 25.00 C ATOM 746 C PRO B 28 9.684 7.618 -4.192 1.00 25.00 C ATOM 747 O PRO B 28 9.175 7.852 -3.101 1.00 25.00 O ATOM 748 CB PRO B 28 10.263 9.416 -5.875 1.00 25.00 C ATOM 749 CG PRO B 28 9.892 10.624 -5.107 1.00 25.00 C ATOM 750 CD PRO B 28 8.383 10.598 -5.007 1.00 25.00 C ATOM 0 HA PRO B 28 9.077 7.589 -6.187 1.00 25.00 H new ATOM 0 HB2 PRO B 28 11.280 9.095 -5.647 1.00 25.00 H new ATOM 0 HB3 PRO B 28 10.219 9.597 -6.949 1.00 25.00 H new ATOM 0 HG2 PRO B 28 10.350 10.615 -4.118 1.00 25.00 H new ATOM 0 HG3 PRO B 28 10.236 11.528 -5.609 1.00 25.00 H new ATOM 0 HD2 PRO B 28 8.039 10.976 -4.044 1.00 25.00 H new ATOM 0 HD3 PRO B 28 7.921 11.217 -5.776 1.00 25.00 H new ATOM 758 N LYS B 29 10.636 6.712 -4.353 1.00 25.00 N ATOM 759 CA LYS B 29 11.172 5.943 -3.253 1.00 25.00 C ATOM 760 C LYS B 29 12.587 5.596 -3.654 1.00 25.00 C ATOM 761 O LYS B 29 12.910 5.585 -4.844 1.00 25.00 O ATOM 762 CB LYS B 29 10.350 4.674 -3.031 1.00 25.00 C ATOM 763 CG LYS B 29 10.464 3.639 -4.150 1.00 25.00 C ATOM 764 CD LYS B 29 9.581 2.430 -3.881 1.00 25.00 C ATOM 765 CE LYS B 29 9.991 1.253 -4.767 1.00 25.00 C ATOM 766 NZ LYS B 29 9.968 1.604 -6.230 1.00 25.00 N ATOM 0 H LYS B 29 11.057 6.492 -5.256 1.00 25.00 H new ATOM 0 HA LYS B 29 11.143 6.503 -2.318 1.00 25.00 H new ATOM 0 HB2 LYS B 29 10.663 4.213 -2.094 1.00 25.00 H new ATOM 0 HB3 LYS B 29 9.302 4.951 -2.915 1.00 25.00 H new ATOM 0 HG2 LYS B 29 10.181 4.094 -5.099 1.00 25.00 H new ATOM 0 HG3 LYS B 29 11.501 3.319 -4.247 1.00 25.00 H new ATOM 0 HD2 LYS B 29 9.656 2.145 -2.832 1.00 25.00 H new ATOM 0 HD3 LYS B 29 8.538 2.686 -4.068 1.00 25.00 H new ATOM 0 HE2 LYS B 29 10.993 0.925 -4.490 1.00 25.00 H new ATOM 0 HE3 LYS B 29 9.319 0.414 -4.586 1.00 25.00 H new ATOM 0 HZ1 LYS B 29 10.120 0.745 -6.796 1.00 25.00 H new ATOM 0 HZ2 LYS B 29 9.046 2.020 -6.473 1.00 25.00 H new ATOM 0 HZ3 LYS B 29 10.722 2.290 -6.434 1.00 25.00 H new ATOM 780 N THR B 30 13.421 5.297 -2.681 1.00 25.00 N ATOM 781 CA THR B 30 14.804 4.899 -2.921 1.00 25.00 C ATOM 782 C THR B 30 14.976 3.381 -2.839 1.00 25.00 C ATOM 783 O THR B 30 14.121 2.626 -2.418 1.00 25.00 O ATOM 784 CB THR B 30 15.688 5.615 -1.890 1.00 25.00 C ATOM 785 OG1 THR B 30 15.045 5.517 -0.628 1.00 25.00 O ATOM 786 CG2 THR B 30 15.779 7.110 -2.245 1.00 25.00 C ATOM 787 OXT THR B 30 16.082 2.944 -3.373 1.00 25.00 O ATOM 0 H THR B 30 13.164 5.321 -1.694 1.00 25.00 H new ATOM 0 HA THR B 30 15.099 5.186 -3.930 1.00 25.00 H new ATOM 0 HB THR B 30 16.682 5.168 -1.876 1.00 25.00 H new ATOM 0 HG1 THR B 30 15.590 5.965 0.052 1.00 25.00 H new ATOM 0 HG21 THR B 30 16.406 7.620 -1.514 1.00 25.00 H new ATOM 0 HG22 THR B 30 16.214 7.222 -3.238 1.00 25.00 H new ATOM 0 HG23 THR B 30 14.781 7.548 -2.235 1.00 25.00 H new TER 796 THR B 30