USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=14 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: B 26 TYR OH : rot 180:sc= 0.627 USER MOD Set 1.2: B 29 LYS NZ :NH3+ -110:sc= 2.22 (180deg=-0.134) USER MOD Set 2.1: A 12 SER OG : rot 84:sc= 0.563 USER MOD Set 2.2: A 14 TYR OH : rot 141:sc= 0.149 USER MOD Set 2.3: A 15 GLN : amide:sc= -2.05! C(o=-1.3!,f=-9.2!) USER MOD Set 3.1: A 8 THR OG1 : rot -94:sc= 0.516! USER MOD Set 3.2: A 9 SER OG : rot 110:sc= 0.604 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0.388 X(o=0.39,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.578 X(o=-0.58,f=-0.13) USER MOD Single : A 19 TYR OH : rot -128:sc= 0.614 USER MOD Single : A 21 ASN :FLIP amide:sc= -0.207 F(o=-2.3,f=-0.21) USER MOD Single : B 1 PHE N :NH3+ 160:sc= 1.35 (180deg=-0.068) USER MOD Single : B 3 ASN : amide:sc= -0.669 X(o=-0.67,f=-0.42) USER MOD Single : B 4 GLN : amide:sc= -7.89! C(o=-7.9!,f=-9.3!) USER MOD Single : B 5 HIS : no HE2:sc= -1.56 K(o=-1.6,f=-7.3!) USER MOD Single : B 10 HIS : no HE2:sc= -0.275 K(o=-0.27,f=-4.6!) USER MOD Single : B 16 TYR OH : rot -165:sc= 0.718 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.983 USER MOD Single : B 30 THR OG1 : rot -40:sc= 0.816 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.157 -6.570 -4.223 1.00 2.08 N ATOM 2 CA GLY A 1 -0.811 -5.225 -4.813 1.00 2.69 C ATOM 3 C GLY A 1 0.260 -4.468 -4.027 1.00 2.60 C ATOM 4 O GLY A 1 1.266 -4.051 -4.566 1.00 3.65 O ATOM 0 H1 GLY A 1 -1.888 -7.027 -4.805 1.00 2.08 H new ATOM 0 H2 GLY A 1 -0.307 -7.169 -4.202 1.00 2.08 H new ATOM 0 H3 GLY A 1 -1.515 -6.443 -3.255 1.00 2.08 H new ATOM 0 HA2 GLY A 1 -0.467 -5.365 -5.838 1.00 2.69 H new ATOM 0 HA3 GLY A 1 -1.713 -4.616 -4.860 1.00 2.69 H new ATOM 8 N ILE A 2 0.013 -4.311 -2.758 1.00 1.41 N ATOM 9 CA ILE A 2 0.987 -3.582 -1.860 1.00 1.22 C ATOM 10 C ILE A 2 1.876 -4.528 -1.029 1.00 0.83 C ATOM 11 O ILE A 2 2.890 -4.128 -0.496 1.00 0.93 O ATOM 12 CB ILE A 2 0.235 -2.625 -0.852 1.00 1.20 C ATOM 13 CG1 ILE A 2 -1.286 -2.728 -0.885 1.00 1.25 C ATOM 14 CG2 ILE A 2 0.665 -1.164 -1.016 1.00 2.41 C ATOM 15 CD1 ILE A 2 -1.703 -3.832 0.113 1.00 1.69 C ATOM 0 H ILE A 2 -0.825 -4.655 -2.289 1.00 1.41 H new ATOM 0 HA ILE A 2 1.620 -3.011 -2.539 1.00 1.22 H new ATOM 0 HB ILE A 2 0.544 -2.984 0.130 1.00 1.20 H new ATOM 0 HG12 ILE A 2 -1.740 -1.775 -0.613 1.00 1.25 H new ATOM 0 HG13 ILE A 2 -1.631 -2.970 -1.890 1.00 1.25 H new ATOM 0 HG21 ILE A 2 0.123 -0.543 -0.303 1.00 2.41 H new ATOM 0 HG22 ILE A 2 1.736 -1.077 -0.832 1.00 2.41 H new ATOM 0 HG23 ILE A 2 0.443 -0.831 -2.030 1.00 2.41 H new ATOM 0 HD11 ILE A 2 -2.788 -3.931 0.113 1.00 1.69 H new ATOM 0 HD12 ILE A 2 -1.252 -4.779 -0.183 1.00 1.69 H new ATOM 0 HD13 ILE A 2 -1.363 -3.565 1.114 1.00 1.69 H new ATOM 27 N VAL A 3 1.504 -5.771 -0.908 1.00 1.06 N ATOM 28 CA VAL A 3 2.386 -6.685 -0.100 1.00 0.87 C ATOM 29 C VAL A 3 3.666 -6.957 -0.906 1.00 0.92 C ATOM 30 O VAL A 3 3.786 -6.429 -1.993 1.00 2.02 O ATOM 31 CB VAL A 3 1.594 -8.008 0.220 1.00 0.93 C ATOM 32 CG1 VAL A 3 0.384 -7.675 1.112 1.00 1.01 C ATOM 33 CG2 VAL A 3 1.045 -8.659 -1.060 1.00 1.42 C ATOM 0 H VAL A 3 0.666 -6.189 -1.311 1.00 1.06 H new ATOM 0 HA VAL A 3 2.669 -6.231 0.850 1.00 0.87 H new ATOM 0 HB VAL A 3 2.285 -8.692 0.713 1.00 0.93 H new ATOM 0 HG11 VAL A 3 -0.166 -8.589 1.335 1.00 1.01 H new ATOM 0 HG12 VAL A 3 0.731 -7.224 2.042 1.00 1.01 H new ATOM 0 HG13 VAL A 3 -0.270 -6.976 0.591 1.00 1.01 H new ATOM 0 HG21 VAL A 3 0.504 -9.570 -0.802 1.00 1.42 H new ATOM 0 HG22 VAL A 3 0.369 -7.965 -1.560 1.00 1.42 H new ATOM 0 HG23 VAL A 3 1.872 -8.905 -1.727 1.00 1.42 H new ATOM 43 N GLU A 4 4.566 -7.755 -0.381 1.00 0.87 N ATOM 44 CA GLU A 4 5.873 -8.067 -1.091 1.00 0.94 C ATOM 45 C GLU A 4 6.252 -6.834 -1.950 1.00 1.00 C ATOM 46 O GLU A 4 6.600 -5.857 -1.332 1.00 1.90 O ATOM 47 CB GLU A 4 5.634 -9.359 -1.926 1.00 0.91 C ATOM 48 CG GLU A 4 7.019 -10.016 -2.323 1.00 2.58 C ATOM 49 CD GLU A 4 7.966 -9.111 -3.093 1.00 4.46 C ATOM 50 OE1 GLU A 4 7.616 -8.817 -4.216 1.00 4.97 O ATOM 51 OE2 GLU A 4 8.979 -8.757 -2.518 1.00 5.54 O ATOM 0 H GLU A 4 4.459 -8.216 0.523 1.00 0.87 H new ATOM 0 HA GLU A 4 6.707 -8.253 -0.415 1.00 0.94 H new ATOM 0 HB2 GLU A 4 5.038 -10.068 -1.351 1.00 0.91 H new ATOM 0 HB3 GLU A 4 5.065 -9.120 -2.825 1.00 0.91 H new ATOM 0 HG2 GLU A 4 7.519 -10.349 -1.414 1.00 2.58 H new ATOM 0 HG3 GLU A 4 6.823 -10.905 -2.923 1.00 2.58 H new ATOM 58 N GLN A 5 6.196 -6.857 -3.242 1.00 1.25 N ATOM 59 CA GLN A 5 6.534 -5.680 -4.120 1.00 1.25 C ATOM 60 C GLN A 5 6.410 -4.240 -3.513 1.00 0.94 C ATOM 61 O GLN A 5 7.133 -3.373 -3.937 1.00 0.96 O ATOM 62 CB GLN A 5 5.642 -5.842 -5.371 1.00 1.75 C ATOM 63 CG GLN A 5 6.381 -5.288 -6.640 1.00 3.22 C ATOM 64 CD GLN A 5 7.355 -6.284 -7.266 1.00 4.34 C ATOM 65 OE1 GLN A 5 7.768 -6.134 -8.392 1.00 5.01 O ATOM 66 NE2 GLN A 5 7.792 -7.330 -6.661 1.00 4.98 N ATOM 0 H GLN A 5 5.915 -7.685 -3.767 1.00 1.25 H new ATOM 0 HA GLN A 5 7.606 -5.720 -4.315 1.00 1.25 H new ATOM 0 HB2 GLN A 5 5.394 -6.893 -5.516 1.00 1.75 H new ATOM 0 HB3 GLN A 5 4.702 -5.310 -5.227 1.00 1.75 H new ATOM 0 HG2 GLN A 5 5.639 -5.001 -7.385 1.00 3.22 H new ATOM 0 HG3 GLN A 5 6.925 -4.384 -6.367 1.00 3.22 H new ATOM 0 HE21 GLN A 5 7.492 -7.530 -5.707 1.00 4.98 H new ATOM 0 HE22 GLN A 5 8.439 -7.960 -7.135 1.00 4.98 H new ATOM 75 N CYS A 6 5.530 -3.950 -2.582 1.00 0.88 N ATOM 76 CA CYS A 6 5.477 -2.531 -2.028 1.00 1.03 C ATOM 77 C CYS A 6 5.763 -2.428 -0.490 1.00 1.05 C ATOM 78 O CYS A 6 5.689 -1.385 0.126 1.00 1.50 O ATOM 79 CB CYS A 6 4.098 -1.973 -2.392 1.00 1.52 C ATOM 80 SG CYS A 6 3.578 -2.195 -4.114 1.00 2.03 S ATOM 0 H CYS A 6 4.858 -4.605 -2.182 1.00 0.88 H new ATOM 0 HA CYS A 6 6.279 -1.943 -2.474 1.00 1.03 H new ATOM 0 HB2 CYS A 6 3.356 -2.443 -1.746 1.00 1.52 H new ATOM 0 HB3 CYS A 6 4.088 -0.907 -2.165 1.00 1.52 H new ATOM 86 N CYS A 7 6.095 -3.560 0.053 1.00 0.98 N ATOM 87 CA CYS A 7 6.445 -3.816 1.497 1.00 1.00 C ATOM 88 C CYS A 7 7.977 -4.149 1.549 1.00 1.52 C ATOM 89 O CYS A 7 8.715 -3.808 2.452 1.00 2.17 O ATOM 90 CB CYS A 7 5.503 -4.964 1.903 1.00 0.91 C ATOM 91 SG CYS A 7 5.932 -6.034 3.303 1.00 1.00 S ATOM 0 H CYS A 7 6.144 -4.414 -0.503 1.00 0.98 H new ATOM 0 HA CYS A 7 6.306 -2.988 2.192 1.00 1.00 H new ATOM 0 HB2 CYS A 7 4.529 -4.524 2.117 1.00 0.91 H new ATOM 0 HB3 CYS A 7 5.378 -5.605 1.031 1.00 0.91 H new ATOM 97 N THR A 8 8.360 -4.845 0.521 1.00 1.29 N ATOM 98 CA THR A 8 9.731 -5.351 0.164 1.00 1.77 C ATOM 99 C THR A 8 9.773 -5.029 -1.364 1.00 1.56 C ATOM 100 O THR A 8 8.974 -4.212 -1.762 1.00 2.71 O ATOM 101 CB THR A 8 9.893 -6.890 0.470 1.00 2.02 C ATOM 102 OG1 THR A 8 10.774 -7.466 -0.475 1.00 3.13 O ATOM 103 CG2 THR A 8 8.697 -7.640 0.270 1.00 1.58 C ATOM 0 H THR A 8 7.679 -5.122 -0.186 1.00 1.29 H new ATOM 0 HA THR A 8 10.544 -4.900 0.733 1.00 1.77 H new ATOM 0 HB THR A 8 10.223 -6.934 1.508 1.00 2.02 H new ATOM 0 HG1 THR A 8 10.257 -7.841 -1.218 1.00 3.13 H new ATOM 0 HG21 THR A 8 8.883 -8.689 0.499 1.00 1.58 H new ATOM 0 HG22 THR A 8 7.914 -7.258 0.926 1.00 1.58 H new ATOM 0 HG23 THR A 8 8.378 -7.546 -0.768 1.00 1.58 H new ATOM 111 N SER A 9 10.610 -5.592 -2.186 1.00 1.52 N ATOM 112 CA SER A 9 10.726 -5.330 -3.702 1.00 1.23 C ATOM 113 C SER A 9 9.950 -4.151 -4.396 1.00 1.30 C ATOM 114 O SER A 9 9.475 -4.251 -5.507 1.00 2.59 O ATOM 115 CB SER A 9 10.331 -6.623 -4.398 1.00 1.29 C ATOM 116 OG SER A 9 11.224 -7.581 -3.830 1.00 2.36 O ATOM 0 H SER A 9 11.286 -6.285 -1.864 1.00 1.52 H new ATOM 0 HA SER A 9 11.757 -4.993 -3.806 1.00 1.23 H new ATOM 0 HB2 SER A 9 9.289 -6.881 -4.209 1.00 1.29 H new ATOM 0 HB3 SER A 9 10.450 -6.552 -5.479 1.00 1.29 H new ATOM 0 HG SER A 9 10.723 -8.191 -3.249 1.00 2.36 H new ATOM 122 N ILE A 10 9.888 -3.088 -3.660 1.00 0.62 N ATOM 123 CA ILE A 10 9.246 -1.766 -3.937 1.00 0.31 C ATOM 124 C ILE A 10 8.633 -1.226 -5.241 1.00 0.88 C ATOM 125 O ILE A 10 8.986 -1.433 -6.384 1.00 1.18 O ATOM 126 CB ILE A 10 10.251 -0.668 -3.401 1.00 0.88 C ATOM 127 CG1 ILE A 10 9.795 -0.263 -1.979 1.00 1.94 C ATOM 128 CG2 ILE A 10 10.350 0.647 -4.258 1.00 0.83 C ATOM 129 CD1 ILE A 10 8.362 0.347 -1.932 1.00 3.96 C ATOM 0 H ILE A 10 10.324 -3.086 -2.738 1.00 0.62 H new ATOM 0 HA ILE A 10 8.288 -1.998 -3.472 1.00 0.31 H new ATOM 0 HB ILE A 10 11.238 -1.128 -3.441 1.00 0.88 H new ATOM 0 HG12 ILE A 10 9.829 -1.140 -1.332 1.00 1.94 H new ATOM 0 HG13 ILE A 10 10.502 0.460 -1.572 1.00 1.94 H new ATOM 0 HG21 ILE A 10 11.067 1.328 -3.799 1.00 0.83 H new ATOM 0 HG22 ILE A 10 10.680 0.400 -5.267 1.00 0.83 H new ATOM 0 HG23 ILE A 10 9.372 1.126 -4.303 1.00 0.83 H new ATOM 0 HD11 ILE A 10 8.111 0.607 -0.904 1.00 3.96 H new ATOM 0 HD12 ILE A 10 8.328 1.243 -2.552 1.00 3.96 H new ATOM 0 HD13 ILE A 10 7.644 -0.382 -2.308 1.00 3.96 H new ATOM 141 N CYS A 11 7.652 -0.456 -4.874 1.00 1.09 N ATOM 142 CA CYS A 11 6.751 0.308 -5.751 1.00 1.51 C ATOM 143 C CYS A 11 6.721 1.806 -5.293 1.00 1.71 C ATOM 144 O CYS A 11 7.486 2.341 -4.510 1.00 2.47 O ATOM 145 CB CYS A 11 5.337 -0.322 -5.643 1.00 1.66 C ATOM 146 SG CYS A 11 5.137 -2.119 -5.579 1.00 2.45 S ATOM 0 H CYS A 11 7.427 -0.321 -3.888 1.00 1.09 H new ATOM 0 HA CYS A 11 7.094 0.275 -6.785 1.00 1.51 H new ATOM 0 HB2 CYS A 11 4.870 0.086 -4.747 1.00 1.66 H new ATOM 0 HB3 CYS A 11 4.759 0.036 -6.495 1.00 1.66 H new ATOM 152 N SER A 12 5.747 2.424 -5.856 1.00 1.21 N ATOM 153 CA SER A 12 5.422 3.876 -5.642 1.00 1.29 C ATOM 154 C SER A 12 4.076 4.199 -5.025 1.00 0.72 C ATOM 155 O SER A 12 3.218 3.358 -4.890 1.00 0.12 O ATOM 156 CB SER A 12 5.480 4.596 -6.954 1.00 1.75 C ATOM 157 OG SER A 12 6.731 4.259 -7.546 1.00 1.92 O ATOM 0 H SER A 12 5.108 1.964 -6.504 1.00 1.21 H new ATOM 0 HA SER A 12 6.171 4.198 -4.919 1.00 1.29 H new ATOM 0 HB2 SER A 12 4.653 4.296 -7.598 1.00 1.75 H new ATOM 0 HB3 SER A 12 5.397 5.673 -6.809 1.00 1.75 H new ATOM 0 HG SER A 12 6.652 3.401 -8.012 1.00 1.92 H new ATOM 163 N LEU A 13 3.923 5.439 -4.672 1.00 1.18 N ATOM 164 CA LEU A 13 2.664 5.963 -4.053 1.00 1.08 C ATOM 165 C LEU A 13 1.555 5.555 -5.022 1.00 1.13 C ATOM 166 O LEU A 13 0.697 4.763 -4.705 1.00 0.94 O ATOM 167 CB LEU A 13 2.915 7.467 -3.937 1.00 1.27 C ATOM 168 CG LEU A 13 1.890 8.156 -3.068 1.00 1.77 C ATOM 169 CD1 LEU A 13 2.261 7.908 -1.612 1.00 2.58 C ATOM 170 CD2 LEU A 13 1.992 9.645 -3.364 1.00 1.70 C ATOM 0 H LEU A 13 4.648 6.147 -4.790 1.00 1.18 H new ATOM 0 HA LEU A 13 2.381 5.591 -3.068 1.00 1.08 H new ATOM 0 HB2 LEU A 13 3.910 7.636 -3.524 1.00 1.27 H new ATOM 0 HB3 LEU A 13 2.903 7.913 -4.932 1.00 1.27 H new ATOM 0 HG LEU A 13 0.881 7.789 -3.258 1.00 1.77 H new ATOM 0 HD11 LEU A 13 1.534 8.397 -0.963 1.00 2.58 H new ATOM 0 HD12 LEU A 13 2.261 6.836 -1.414 1.00 2.58 H new ATOM 0 HD13 LEU A 13 3.253 8.314 -1.415 1.00 2.58 H new ATOM 0 HD21 LEU A 13 1.267 10.187 -2.757 1.00 1.70 H new ATOM 0 HD22 LEU A 13 2.997 9.995 -3.128 1.00 1.70 H new ATOM 0 HD23 LEU A 13 1.785 9.821 -4.420 1.00 1.70 H new ATOM 182 N TYR A 14 1.656 6.093 -6.202 1.00 1.54 N ATOM 183 CA TYR A 14 0.634 5.770 -7.257 1.00 1.72 C ATOM 184 C TYR A 14 0.439 4.242 -7.353 1.00 1.60 C ATOM 185 O TYR A 14 -0.576 3.778 -7.839 1.00 1.63 O ATOM 186 CB TYR A 14 1.097 6.443 -8.615 1.00 2.24 C ATOM 187 CG TYR A 14 2.604 6.553 -8.740 1.00 2.27 C ATOM 188 CD1 TYR A 14 3.249 7.600 -8.115 1.00 3.19 C ATOM 189 CD2 TYR A 14 3.330 5.624 -9.438 1.00 1.56 C ATOM 190 CE1 TYR A 14 4.619 7.713 -8.185 1.00 3.20 C ATOM 191 CE2 TYR A 14 4.700 5.746 -9.503 1.00 1.66 C ATOM 192 CZ TYR A 14 5.341 6.781 -8.879 1.00 2.36 C ATOM 193 OH TYR A 14 6.706 6.835 -8.923 1.00 2.37 O ATOM 0 H TYR A 14 2.392 6.738 -6.489 1.00 1.54 H new ATOM 0 HA TYR A 14 -0.346 6.176 -7.005 1.00 1.72 H new ATOM 0 HB2 TYR A 14 0.710 5.862 -9.452 1.00 2.24 H new ATOM 0 HB3 TYR A 14 0.659 7.438 -8.688 1.00 2.24 H new ATOM 0 HD1 TYR A 14 2.676 8.334 -7.568 1.00 3.19 H new ATOM 0 HD2 TYR A 14 2.832 4.803 -9.933 1.00 1.56 H new ATOM 0 HE1 TYR A 14 5.122 8.533 -7.694 1.00 3.20 H new ATOM 0 HE2 TYR A 14 5.275 5.016 -10.053 1.00 1.66 H new ATOM 0 HH TYR A 14 7.071 5.927 -8.868 1.00 2.37 H new ATOM 203 N GLN A 15 1.393 3.447 -6.904 1.00 1.52 N ATOM 204 CA GLN A 15 1.118 1.975 -7.006 1.00 1.57 C ATOM 205 C GLN A 15 0.228 1.673 -5.789 1.00 1.41 C ATOM 206 O GLN A 15 -0.811 1.060 -5.908 1.00 1.79 O ATOM 207 CB GLN A 15 2.493 1.251 -7.043 1.00 1.70 C ATOM 208 CG GLN A 15 3.089 1.532 -8.487 1.00 2.34 C ATOM 209 CD GLN A 15 4.535 1.106 -8.656 1.00 2.89 C ATOM 210 OE1 GLN A 15 5.454 1.830 -8.357 1.00 3.69 O ATOM 211 NE2 GLN A 15 4.830 -0.051 -9.120 1.00 2.98 N ATOM 0 H GLN A 15 2.286 3.728 -6.500 1.00 1.52 H new ATOM 0 HA GLN A 15 0.595 1.634 -7.900 1.00 1.57 H new ATOM 0 HB2 GLN A 15 3.156 1.630 -6.265 1.00 1.70 H new ATOM 0 HB3 GLN A 15 2.377 0.181 -6.869 1.00 1.70 H new ATOM 0 HG2 GLN A 15 2.480 1.012 -9.227 1.00 2.34 H new ATOM 0 HG3 GLN A 15 3.009 2.598 -8.700 1.00 2.34 H new ATOM 0 HE21 GLN A 15 4.088 -0.698 -9.387 1.00 2.98 H new ATOM 0 HE22 GLN A 15 5.807 -0.325 -9.223 1.00 2.98 H new ATOM 220 N LEU A 16 0.641 2.116 -4.644 1.00 1.08 N ATOM 221 CA LEU A 16 -0.155 1.912 -3.378 1.00 0.83 C ATOM 222 C LEU A 16 -1.644 2.205 -3.748 1.00 0.81 C ATOM 223 O LEU A 16 -2.579 1.496 -3.420 1.00 0.81 O ATOM 224 CB LEU A 16 0.391 2.887 -2.252 1.00 0.63 C ATOM 225 CG LEU A 16 1.434 2.131 -1.371 1.00 0.40 C ATOM 226 CD1 LEU A 16 2.596 1.565 -2.198 1.00 1.66 C ATOM 227 CD2 LEU A 16 2.045 3.081 -0.352 1.00 1.84 C ATOM 0 H LEU A 16 1.515 2.625 -4.513 1.00 1.08 H new ATOM 0 HA LEU A 16 -0.067 0.900 -2.983 1.00 0.83 H new ATOM 0 HB2 LEU A 16 0.851 3.764 -2.707 1.00 0.63 H new ATOM 0 HB3 LEU A 16 -0.433 3.244 -1.634 1.00 0.63 H new ATOM 0 HG LEU A 16 0.893 1.315 -0.893 1.00 0.40 H new ATOM 0 HD11 LEU A 16 3.294 1.049 -1.539 1.00 1.66 H new ATOM 0 HD12 LEU A 16 2.209 0.864 -2.937 1.00 1.66 H new ATOM 0 HD13 LEU A 16 3.112 2.380 -2.706 1.00 1.66 H new ATOM 0 HD21 LEU A 16 2.771 2.543 0.257 1.00 1.84 H new ATOM 0 HD22 LEU A 16 2.543 3.900 -0.871 1.00 1.84 H new ATOM 0 HD23 LEU A 16 1.259 3.481 0.289 1.00 1.84 H new ATOM 239 N GLU A 17 -1.774 3.291 -4.454 1.00 0.90 N ATOM 240 CA GLU A 17 -3.102 3.795 -4.959 1.00 1.04 C ATOM 241 C GLU A 17 -3.772 2.720 -5.860 1.00 1.34 C ATOM 242 O GLU A 17 -4.935 2.396 -5.725 1.00 1.38 O ATOM 243 CB GLU A 17 -2.804 5.095 -5.712 1.00 1.29 C ATOM 244 CG GLU A 17 -2.143 6.074 -4.691 1.00 2.77 C ATOM 245 CD GLU A 17 -1.722 7.401 -5.317 1.00 3.51 C ATOM 246 OE1 GLU A 17 -2.588 8.026 -5.895 1.00 3.32 O ATOM 247 OE2 GLU A 17 -0.550 7.706 -5.178 1.00 4.53 O ATOM 0 H GLU A 17 -0.985 3.882 -4.718 1.00 0.90 H new ATOM 0 HA GLU A 17 -3.808 3.989 -4.152 1.00 1.04 H new ATOM 0 HB2 GLU A 17 -2.138 4.909 -6.554 1.00 1.29 H new ATOM 0 HB3 GLU A 17 -3.720 5.523 -6.119 1.00 1.29 H new ATOM 0 HG2 GLU A 17 -2.843 6.269 -3.879 1.00 2.77 H new ATOM 0 HG3 GLU A 17 -1.269 5.594 -4.251 1.00 2.77 H new ATOM 254 N ASN A 18 -3.036 2.172 -6.787 1.00 1.57 N ATOM 255 CA ASN A 18 -3.568 1.101 -7.716 1.00 1.85 C ATOM 256 C ASN A 18 -4.475 0.087 -6.939 1.00 1.87 C ATOM 257 O ASN A 18 -5.485 -0.380 -7.431 1.00 2.15 O ATOM 258 CB ASN A 18 -2.317 0.431 -8.349 1.00 1.78 C ATOM 259 CG ASN A 18 -2.608 -0.690 -9.311 1.00 1.73 C ATOM 260 OD1 ASN A 18 -1.712 -1.261 -9.877 1.00 1.94 O ATOM 261 ND2 ASN A 18 -3.799 -1.092 -9.573 1.00 1.56 N ATOM 0 H ASN A 18 -2.061 2.420 -6.953 1.00 1.57 H new ATOM 0 HA ASN A 18 -4.209 1.513 -8.495 1.00 1.85 H new ATOM 0 HB2 ASN A 18 -1.740 1.195 -8.870 1.00 1.78 H new ATOM 0 HB3 ASN A 18 -1.686 0.046 -7.548 1.00 1.78 H new ATOM 0 HD21 ASN A 18 -3.946 -1.858 -10.231 1.00 1.56 H new ATOM 0 HD22 ASN A 18 -4.598 -0.646 -9.123 1.00 1.56 H new ATOM 268 N TYR A 19 -4.055 -0.205 -5.739 1.00 1.68 N ATOM 269 CA TYR A 19 -4.781 -1.161 -4.810 1.00 1.71 C ATOM 270 C TYR A 19 -5.806 -0.330 -4.002 1.00 1.76 C ATOM 271 O TYR A 19 -6.949 -0.687 -3.786 1.00 2.10 O ATOM 272 CB TYR A 19 -3.737 -1.822 -3.858 1.00 1.48 C ATOM 273 CG TYR A 19 -2.355 -1.796 -4.509 1.00 1.98 C ATOM 274 CD1 TYR A 19 -2.167 -2.306 -5.772 1.00 2.69 C ATOM 275 CD2 TYR A 19 -1.288 -1.255 -3.840 1.00 2.36 C ATOM 276 CE1 TYR A 19 -0.918 -2.273 -6.358 1.00 3.10 C ATOM 277 CE2 TYR A 19 -0.040 -1.229 -4.437 1.00 2.89 C ATOM 278 CZ TYR A 19 0.141 -1.739 -5.687 1.00 3.01 C ATOM 279 OH TYR A 19 1.395 -1.744 -6.237 1.00 3.55 O ATOM 0 H TYR A 19 -3.205 0.189 -5.336 1.00 1.68 H new ATOM 0 HA TYR A 19 -5.295 -1.948 -5.361 1.00 1.71 H new ATOM 0 HB2 TYR A 19 -3.711 -1.291 -2.907 1.00 1.48 H new ATOM 0 HB3 TYR A 19 -4.028 -2.850 -3.641 1.00 1.48 H new ATOM 0 HD1 TYR A 19 -3.001 -2.735 -6.308 1.00 2.69 H new ATOM 0 HD2 TYR A 19 -1.421 -0.849 -2.848 1.00 2.36 H new ATOM 0 HE1 TYR A 19 -0.779 -2.672 -7.352 1.00 3.10 H new ATOM 0 HE2 TYR A 19 0.798 -0.801 -3.907 1.00 2.89 H new ATOM 0 HH TYR A 19 2.030 -2.135 -5.601 1.00 3.55 H new ATOM 289 N CYS A 20 -5.335 0.792 -3.558 1.00 1.45 N ATOM 290 CA CYS A 20 -6.161 1.750 -2.768 1.00 1.41 C ATOM 291 C CYS A 20 -6.771 2.727 -3.808 1.00 1.84 C ATOM 292 O CYS A 20 -6.549 3.916 -3.841 1.00 2.22 O ATOM 293 CB CYS A 20 -5.218 2.393 -1.791 1.00 0.86 C ATOM 294 SG CYS A 20 -6.128 3.172 -0.443 1.00 0.68 S ATOM 0 H CYS A 20 -4.375 1.101 -3.713 1.00 1.45 H new ATOM 0 HA CYS A 20 -6.982 1.318 -2.196 1.00 1.41 H new ATOM 0 HB2 CYS A 20 -4.536 1.644 -1.390 1.00 0.86 H new ATOM 0 HB3 CYS A 20 -4.609 3.138 -2.303 1.00 0.86 H new ATOM 300 N ASN A 21 -7.548 2.127 -4.662 1.00 2.00 N ATOM 301 CA ASN A 21 -8.263 2.837 -5.779 1.00 2.37 C ATOM 302 C ASN A 21 -8.422 4.384 -5.608 1.00 2.99 C ATOM 303 O ASN A 21 -9.224 5.067 -6.225 1.00 3.87 O ATOM 304 CB ASN A 21 -9.608 2.064 -5.894 1.00 1.70 C ATOM 305 CG ASN A 21 -9.344 0.594 -6.198 1.00 2.34 C ATOM 306 OD1 ASN A 21 -8.166 0.160 -6.483 1.00 2.82 O flip ATOM 307 ND2 ASN A 21 -10.225 -0.228 -6.183 1.00 2.66 N flip ATOM 0 H ASN A 21 -7.730 1.124 -4.636 1.00 2.00 H new ATOM 0 HA ASN A 21 -7.681 2.813 -6.701 1.00 2.37 H new ATOM 0 HB2 ASN A 21 -10.170 2.156 -4.964 1.00 1.70 H new ATOM 0 HB3 ASN A 21 -10.222 2.502 -6.682 1.00 1.70 H new ATOM 0 HD21 ASN A 21 -11.181 0.053 -5.964 1.00 2.66 H new ATOM 0 HD22 ASN A 21 -10.015 -1.205 -6.389 1.00 2.66 H new TER 314 ASN A 21 ATOM 315 N PHE B 1 8.119 9.852 -5.078 1.00 1.85 N ATOM 316 CA PHE B 1 7.131 9.065 -4.264 1.00 1.30 C ATOM 317 C PHE B 1 7.312 7.548 -4.514 1.00 1.41 C ATOM 318 O PHE B 1 6.391 6.781 -4.734 1.00 2.04 O ATOM 319 CB PHE B 1 5.710 9.547 -4.662 1.00 1.77 C ATOM 320 CG PHE B 1 5.677 11.072 -4.713 1.00 2.53 C ATOM 321 CD1 PHE B 1 6.052 11.730 -5.863 1.00 3.42 C ATOM 322 CD2 PHE B 1 5.288 11.801 -3.616 1.00 2.79 C ATOM 323 CE1 PHE B 1 6.041 13.105 -5.919 1.00 4.18 C ATOM 324 CE2 PHE B 1 5.275 13.177 -3.664 1.00 3.49 C ATOM 325 CZ PHE B 1 5.651 13.831 -4.816 1.00 4.07 C ATOM 0 H1 PHE B 1 7.787 10.833 -5.174 1.00 1.85 H new ATOM 0 H2 PHE B 1 9.044 9.845 -4.603 1.00 1.85 H new ATOM 0 H3 PHE B 1 8.211 9.424 -6.021 1.00 1.85 H new ATOM 0 HA PHE B 1 7.288 9.227 -3.198 1.00 1.30 H new ATOM 0 HB2 PHE B 1 5.435 9.135 -5.633 1.00 1.77 H new ATOM 0 HB3 PHE B 1 4.977 9.182 -3.942 1.00 1.77 H new ATOM 0 HD1 PHE B 1 6.358 11.162 -6.729 1.00 3.42 H new ATOM 0 HD2 PHE B 1 4.991 11.292 -2.711 1.00 2.79 H new ATOM 0 HE1 PHE B 1 6.337 13.613 -6.825 1.00 4.18 H new ATOM 0 HE2 PHE B 1 4.970 13.744 -2.797 1.00 3.49 H new ATOM 0 HZ PHE B 1 5.640 14.910 -4.854 1.00 4.07 H new ATOM 335 N VAL B 2 8.562 7.200 -4.467 1.00 1.38 N ATOM 336 CA VAL B 2 9.129 5.866 -4.649 1.00 1.92 C ATOM 337 C VAL B 2 9.873 5.501 -3.338 1.00 1.28 C ATOM 338 O VAL B 2 9.978 6.286 -2.418 1.00 1.33 O ATOM 339 CB VAL B 2 10.078 5.964 -5.862 1.00 3.12 C ATOM 340 CG1 VAL B 2 10.593 4.593 -6.313 1.00 3.97 C ATOM 341 CG2 VAL B 2 9.338 6.574 -7.068 1.00 4.62 C ATOM 0 H VAL B 2 9.289 7.892 -4.285 1.00 1.38 H new ATOM 0 HA VAL B 2 8.389 5.089 -4.842 1.00 1.92 H new ATOM 0 HB VAL B 2 10.915 6.584 -5.541 1.00 3.12 H new ATOM 0 HG11 VAL B 2 11.256 4.717 -7.169 1.00 3.97 H new ATOM 0 HG12 VAL B 2 11.140 4.123 -5.496 1.00 3.97 H new ATOM 0 HG13 VAL B 2 9.750 3.963 -6.596 1.00 3.97 H new ATOM 0 HG21 VAL B 2 10.018 6.638 -7.918 1.00 4.62 H new ATOM 0 HG22 VAL B 2 8.488 5.944 -7.330 1.00 4.62 H new ATOM 0 HG23 VAL B 2 8.984 7.572 -6.811 1.00 4.62 H new ATOM 351 N ASN B 3 10.358 4.306 -3.300 1.00 1.61 N ATOM 352 CA ASN B 3 11.142 3.721 -2.132 1.00 1.74 C ATOM 353 C ASN B 3 10.381 3.103 -0.955 1.00 0.55 C ATOM 354 O ASN B 3 10.834 2.173 -0.328 1.00 0.89 O ATOM 355 CB ASN B 3 12.097 4.804 -1.545 1.00 2.87 C ATOM 356 CG ASN B 3 12.906 5.415 -2.660 1.00 4.17 C ATOM 357 OD1 ASN B 3 13.744 4.799 -3.265 1.00 5.38 O ATOM 358 ND2 ASN B 3 12.705 6.634 -2.996 1.00 4.12 N ATOM 0 H ASN B 3 10.248 3.649 -4.072 1.00 1.61 H new ATOM 0 HA ASN B 3 11.641 2.876 -2.606 1.00 1.74 H new ATOM 0 HB2 ASN B 3 11.520 5.575 -1.035 1.00 2.87 H new ATOM 0 HB3 ASN B 3 12.759 4.357 -0.803 1.00 2.87 H new ATOM 0 HD21 ASN B 3 13.247 7.050 -3.753 1.00 4.12 H new ATOM 0 HD22 ASN B 3 12.003 7.189 -2.507 1.00 4.12 H new ATOM 365 N GLN B 4 9.262 3.680 -0.695 1.00 1.22 N ATOM 366 CA GLN B 4 8.322 3.265 0.417 1.00 2.49 C ATOM 367 C GLN B 4 8.267 1.823 1.057 1.00 1.93 C ATOM 368 O GLN B 4 7.233 1.191 1.070 1.00 2.07 O ATOM 369 CB GLN B 4 6.915 3.610 -0.046 1.00 3.95 C ATOM 370 CG GLN B 4 6.693 5.158 -0.230 1.00 4.66 C ATOM 371 CD GLN B 4 6.900 5.696 -1.636 1.00 4.49 C ATOM 372 OE1 GLN B 4 6.829 6.878 -1.865 1.00 5.41 O ATOM 373 NE2 GLN B 4 7.148 4.943 -2.646 1.00 3.58 N ATOM 0 H GLN B 4 8.919 4.477 -1.231 1.00 1.22 H new ATOM 0 HA GLN B 4 8.768 3.808 1.250 1.00 2.49 H new ATOM 0 HB2 GLN B 4 6.715 3.104 -0.991 1.00 3.95 H new ATOM 0 HB3 GLN B 4 6.196 3.228 0.679 1.00 3.95 H new ATOM 0 HG2 GLN B 4 5.678 5.400 0.085 1.00 4.66 H new ATOM 0 HG3 GLN B 4 7.369 5.685 0.443 1.00 4.66 H new ATOM 0 HE21 GLN B 4 7.221 3.933 -2.523 1.00 3.58 H new ATOM 0 HE22 GLN B 4 7.272 5.355 -3.571 1.00 3.58 H new ATOM 382 N HIS B 5 9.349 1.340 1.568 1.00 1.42 N ATOM 383 CA HIS B 5 9.386 -0.037 2.212 1.00 1.00 C ATOM 384 C HIS B 5 8.535 -0.126 3.522 1.00 0.77 C ATOM 385 O HIS B 5 9.036 -0.186 4.630 1.00 0.79 O ATOM 386 CB HIS B 5 10.871 -0.404 2.522 1.00 1.35 C ATOM 387 CG HIS B 5 11.559 -1.014 1.313 1.00 1.10 C ATOM 388 ND1 HIS B 5 11.810 -0.400 0.218 1.00 2.07 N ATOM 389 CD2 HIS B 5 12.050 -2.285 1.111 1.00 0.47 C ATOM 390 CE1 HIS B 5 12.410 -1.202 -0.611 1.00 1.49 C ATOM 391 NE2 HIS B 5 12.577 -2.391 -0.091 1.00 0.30 N ATOM 0 H HIS B 5 10.242 1.833 1.579 1.00 1.42 H new ATOM 0 HA HIS B 5 8.945 -0.743 1.508 1.00 1.00 H new ATOM 0 HB2 HIS B 5 11.410 0.490 2.836 1.00 1.35 H new ATOM 0 HB3 HIS B 5 10.907 -1.106 3.355 1.00 1.35 H new ATOM 0 HD1 HIS B 5 11.574 0.573 0.025 1.00 2.07 H new ATOM 0 HD2 HIS B 5 12.009 -3.083 1.837 1.00 0.47 H new ATOM 0 HE1 HIS B 5 12.730 -0.922 -1.604 1.00 1.49 H new ATOM 399 N LEU B 6 7.247 -0.126 3.350 1.00 0.61 N ATOM 400 CA LEU B 6 6.277 -0.203 4.496 1.00 0.55 C ATOM 401 C LEU B 6 5.619 -1.597 4.472 1.00 0.29 C ATOM 402 O LEU B 6 4.859 -1.905 3.583 1.00 0.52 O ATOM 403 CB LEU B 6 5.231 0.923 4.304 1.00 0.78 C ATOM 404 CG LEU B 6 5.755 2.321 4.717 1.00 1.49 C ATOM 405 CD1 LEU B 6 6.998 2.752 3.946 1.00 1.47 C ATOM 406 CD2 LEU B 6 4.688 3.357 4.396 1.00 2.40 C ATOM 0 H LEU B 6 6.802 -0.074 2.434 1.00 0.61 H new ATOM 0 HA LEU B 6 6.766 -0.068 5.461 1.00 0.55 H new ATOM 0 HB2 LEU B 6 4.925 0.951 3.258 1.00 0.78 H new ATOM 0 HB3 LEU B 6 4.342 0.688 4.890 1.00 0.78 H new ATOM 0 HG LEU B 6 5.997 2.255 5.778 1.00 1.49 H new ATOM 0 HD11 LEU B 6 7.312 3.739 4.284 1.00 1.47 H new ATOM 0 HD12 LEU B 6 7.801 2.036 4.121 1.00 1.47 H new ATOM 0 HD13 LEU B 6 6.771 2.789 2.881 1.00 1.47 H new ATOM 0 HD21 LEU B 6 5.044 4.347 4.682 1.00 2.40 H new ATOM 0 HD22 LEU B 6 4.477 3.342 3.327 1.00 2.40 H new ATOM 0 HD23 LEU B 6 3.778 3.125 4.949 1.00 2.40 H new ATOM 418 N CYS B 7 5.894 -2.430 5.434 1.00 0.33 N ATOM 419 CA CYS B 7 5.257 -3.797 5.399 1.00 0.66 C ATOM 420 C CYS B 7 3.960 -3.995 6.227 1.00 0.90 C ATOM 421 O CYS B 7 3.561 -3.140 6.987 1.00 0.37 O ATOM 422 CB CYS B 7 6.363 -4.778 5.829 1.00 0.76 C ATOM 423 SG CYS B 7 6.085 -6.512 5.386 1.00 1.11 S ATOM 0 H CYS B 7 6.511 -2.244 6.225 1.00 0.33 H new ATOM 0 HA CYS B 7 4.889 -3.968 4.388 1.00 0.66 H new ATOM 0 HB2 CYS B 7 7.304 -4.454 5.385 1.00 0.76 H new ATOM 0 HB3 CYS B 7 6.482 -4.712 6.910 1.00 0.76 H new ATOM 429 N GLY B 8 3.357 -5.143 6.045 1.00 2.08 N ATOM 430 CA GLY B 8 2.063 -5.575 6.723 1.00 2.51 C ATOM 431 C GLY B 8 1.203 -4.476 7.340 1.00 2.55 C ATOM 432 O GLY B 8 0.366 -3.871 6.699 1.00 2.48 O ATOM 0 H GLY B 8 3.726 -5.854 5.413 1.00 2.08 H new ATOM 0 HA2 GLY B 8 1.457 -6.107 5.989 1.00 2.51 H new ATOM 0 HA3 GLY B 8 2.314 -6.289 7.507 1.00 2.51 H new ATOM 436 N ASP B 9 1.453 -4.243 8.575 1.00 2.72 N ATOM 437 CA ASP B 9 0.720 -3.210 9.355 1.00 2.91 C ATOM 438 C ASP B 9 1.078 -1.817 8.759 1.00 2.56 C ATOM 439 O ASP B 9 0.260 -1.029 8.329 1.00 2.48 O ATOM 440 CB ASP B 9 1.188 -3.443 10.822 1.00 3.22 C ATOM 441 CG ASP B 9 1.118 -4.917 11.187 1.00 4.29 C ATOM 442 OD1 ASP B 9 2.030 -5.602 10.751 1.00 4.43 O ATOM 443 OD2 ASP B 9 0.166 -5.249 11.858 1.00 5.27 O ATOM 0 H ASP B 9 2.164 -4.741 9.110 1.00 2.72 H new ATOM 0 HA ASP B 9 -0.368 -3.264 9.318 1.00 2.91 H new ATOM 0 HB2 ASP B 9 2.209 -3.082 10.944 1.00 3.22 H new ATOM 0 HB3 ASP B 9 0.563 -2.866 11.503 1.00 3.22 H new ATOM 448 N HIS B 10 2.344 -1.544 8.719 1.00 2.35 N ATOM 449 CA HIS B 10 2.826 -0.229 8.165 1.00 2.06 C ATOM 450 C HIS B 10 2.328 -0.039 6.695 1.00 1.72 C ATOM 451 O HIS B 10 2.238 1.058 6.177 1.00 1.46 O ATOM 452 CB HIS B 10 4.344 -0.238 8.215 1.00 1.85 C ATOM 453 CG HIS B 10 4.849 1.201 8.229 1.00 1.37 C ATOM 454 ND1 HIS B 10 4.277 2.192 7.638 1.00 1.56 N ATOM 455 CD2 HIS B 10 5.955 1.761 8.830 1.00 1.51 C ATOM 456 CE1 HIS B 10 4.954 3.280 7.846 1.00 1.68 C ATOM 457 NE2 HIS B 10 6.008 3.054 8.585 1.00 1.77 N ATOM 0 H HIS B 10 3.081 -2.170 9.045 1.00 2.35 H new ATOM 0 HA HIS B 10 2.432 0.599 8.754 1.00 2.06 H new ATOM 0 HB2 HIS B 10 4.688 -0.766 9.104 1.00 1.85 H new ATOM 0 HB3 HIS B 10 4.746 -0.770 7.353 1.00 1.85 H new ATOM 0 HD1 HIS B 10 3.420 2.131 7.088 1.00 1.56 H new ATOM 0 HD2 HIS B 10 6.677 1.216 9.420 1.00 1.51 H new ATOM 0 HE1 HIS B 10 4.681 4.250 7.457 1.00 1.68 H new ATOM 465 N LEU B 11 2.028 -1.146 6.079 1.00 1.80 N ATOM 466 CA LEU B 11 1.531 -1.181 4.667 1.00 1.56 C ATOM 467 C LEU B 11 0.028 -0.811 4.688 1.00 1.65 C ATOM 468 O LEU B 11 -0.402 0.081 3.982 1.00 1.48 O ATOM 469 CB LEU B 11 1.780 -2.603 4.152 1.00 1.56 C ATOM 470 CG LEU B 11 1.377 -2.754 2.695 1.00 1.40 C ATOM 471 CD1 LEU B 11 2.450 -2.069 1.838 1.00 1.21 C ATOM 472 CD2 LEU B 11 1.390 -4.249 2.403 1.00 1.61 C ATOM 0 H LEU B 11 2.109 -2.067 6.510 1.00 1.80 H new ATOM 0 HA LEU B 11 2.037 -0.475 4.008 1.00 1.56 H new ATOM 0 HB2 LEU B 11 2.835 -2.851 4.265 1.00 1.56 H new ATOM 0 HB3 LEU B 11 1.219 -3.313 4.760 1.00 1.56 H new ATOM 0 HG LEU B 11 0.401 -2.317 2.485 1.00 1.40 H new ATOM 0 HD11 LEU B 11 2.187 -2.161 0.784 1.00 1.21 H new ATOM 0 HD12 LEU B 11 2.511 -1.014 2.106 1.00 1.21 H new ATOM 0 HD13 LEU B 11 3.415 -2.544 2.014 1.00 1.21 H new ATOM 0 HD21 LEU B 11 1.107 -4.419 1.364 1.00 1.61 H new ATOM 0 HD22 LEU B 11 2.391 -4.645 2.576 1.00 1.61 H new ATOM 0 HD23 LEU B 11 0.682 -4.754 3.060 1.00 1.61 H new ATOM 484 N VAL B 12 -0.771 -1.490 5.472 1.00 1.93 N ATOM 485 CA VAL B 12 -2.235 -1.116 5.510 1.00 2.03 C ATOM 486 C VAL B 12 -2.298 0.385 5.884 1.00 1.98 C ATOM 487 O VAL B 12 -3.008 1.171 5.280 1.00 1.79 O ATOM 488 CB VAL B 12 -2.991 -1.979 6.565 1.00 2.37 C ATOM 489 CG1 VAL B 12 -2.283 -1.980 7.901 1.00 2.62 C ATOM 490 CG2 VAL B 12 -4.363 -1.322 6.810 1.00 2.39 C ATOM 0 H VAL B 12 -0.494 -2.265 6.074 1.00 1.93 H new ATOM 0 HA VAL B 12 -2.712 -1.298 4.547 1.00 2.03 H new ATOM 0 HB VAL B 12 -3.056 -2.998 6.184 1.00 2.37 H new ATOM 0 HG11 VAL B 12 -2.842 -2.593 8.608 1.00 2.62 H new ATOM 0 HG12 VAL B 12 -1.280 -2.388 7.781 1.00 2.62 H new ATOM 0 HG13 VAL B 12 -2.216 -0.960 8.278 1.00 2.62 H new ATOM 0 HG21 VAL B 12 -4.919 -1.903 7.546 1.00 2.39 H new ATOM 0 HG22 VAL B 12 -4.219 -0.308 7.182 1.00 2.39 H new ATOM 0 HG23 VAL B 12 -4.923 -1.289 5.875 1.00 2.39 H new ATOM 500 N GLU B 13 -1.529 0.712 6.887 1.00 2.19 N ATOM 501 CA GLU B 13 -1.395 2.080 7.433 1.00 2.27 C ATOM 502 C GLU B 13 -1.197 3.041 6.235 1.00 1.96 C ATOM 503 O GLU B 13 -1.675 4.154 6.143 1.00 1.91 O ATOM 504 CB GLU B 13 -0.206 1.952 8.373 1.00 2.68 C ATOM 505 CG GLU B 13 0.025 3.272 9.091 1.00 1.67 C ATOM 506 CD GLU B 13 -1.061 3.626 10.108 1.00 2.16 C ATOM 507 OE1 GLU B 13 -1.548 2.717 10.750 1.00 3.03 O ATOM 508 OE2 GLU B 13 -1.342 4.806 10.177 1.00 2.06 O ATOM 0 H GLU B 13 -0.951 0.029 7.378 1.00 2.19 H new ATOM 0 HA GLU B 13 -2.247 2.484 7.979 1.00 2.27 H new ATOM 0 HB2 GLU B 13 -0.388 1.159 9.099 1.00 2.68 H new ATOM 0 HB3 GLU B 13 0.685 1.672 7.811 1.00 2.68 H new ATOM 0 HG2 GLU B 13 0.987 3.232 9.601 1.00 1.67 H new ATOM 0 HG3 GLU B 13 0.089 4.070 8.351 1.00 1.67 H new ATOM 515 N ALA B 14 -0.471 2.520 5.281 1.00 1.79 N ATOM 516 CA ALA B 14 -0.174 3.301 4.066 1.00 1.51 C ATOM 517 C ALA B 14 -1.319 3.293 3.038 1.00 1.30 C ATOM 518 O ALA B 14 -1.745 4.346 2.599 1.00 1.19 O ATOM 519 CB ALA B 14 1.142 2.718 3.494 1.00 1.33 C ATOM 0 H ALA B 14 -0.073 1.581 5.300 1.00 1.79 H new ATOM 0 HA ALA B 14 -0.063 4.357 4.313 1.00 1.51 H new ATOM 0 HB1 ALA B 14 1.416 3.258 2.588 1.00 1.33 H new ATOM 0 HB2 ALA B 14 1.937 2.822 4.232 1.00 1.33 H new ATOM 0 HB3 ALA B 14 1.001 1.663 3.259 1.00 1.33 H new ATOM 525 N LEU B 15 -1.823 2.154 2.647 1.00 1.31 N ATOM 526 CA LEU B 15 -2.934 2.246 1.649 1.00 1.16 C ATOM 527 C LEU B 15 -4.134 3.062 2.206 1.00 1.28 C ATOM 528 O LEU B 15 -4.704 3.838 1.467 1.00 1.03 O ATOM 529 CB LEU B 15 -3.356 0.780 1.184 1.00 1.75 C ATOM 530 CG LEU B 15 -3.498 -0.341 2.206 1.00 1.28 C ATOM 531 CD1 LEU B 15 -4.675 -0.147 3.141 1.00 1.34 C ATOM 532 CD2 LEU B 15 -3.853 -1.609 1.457 1.00 1.99 C ATOM 0 H LEU B 15 -1.541 1.221 2.948 1.00 1.31 H new ATOM 0 HA LEU B 15 -2.583 2.790 0.772 1.00 1.16 H new ATOM 0 HB2 LEU B 15 -4.312 0.868 0.667 1.00 1.75 H new ATOM 0 HB3 LEU B 15 -2.624 0.453 0.446 1.00 1.75 H new ATOM 0 HG LEU B 15 -2.563 -0.368 2.765 1.00 1.28 H new ATOM 0 HD11 LEU B 15 -4.722 -0.978 3.845 1.00 1.34 H new ATOM 0 HD12 LEU B 15 -4.553 0.787 3.690 1.00 1.34 H new ATOM 0 HD13 LEU B 15 -5.598 -0.110 2.562 1.00 1.34 H new ATOM 0 HD21 LEU B 15 -3.961 -2.431 2.164 1.00 1.99 H new ATOM 0 HD22 LEU B 15 -4.791 -1.465 0.922 1.00 1.99 H new ATOM 0 HD23 LEU B 15 -3.062 -1.845 0.745 1.00 1.99 H new ATOM 544 N TYR B 16 -4.521 2.951 3.454 1.00 1.67 N ATOM 545 CA TYR B 16 -5.699 3.794 3.883 1.00 1.89 C ATOM 546 C TYR B 16 -5.259 5.277 3.718 1.00 1.61 C ATOM 547 O TYR B 16 -6.001 6.088 3.201 1.00 1.50 O ATOM 548 CB TYR B 16 -6.075 3.416 5.370 1.00 2.55 C ATOM 549 CG TYR B 16 -5.389 4.263 6.450 1.00 1.52 C ATOM 550 CD1 TYR B 16 -5.663 5.612 6.585 1.00 0.73 C ATOM 551 CD2 TYR B 16 -4.488 3.687 7.308 1.00 2.30 C ATOM 552 CE1 TYR B 16 -5.036 6.360 7.568 1.00 0.96 C ATOM 553 CE2 TYR B 16 -3.871 4.445 8.286 1.00 2.65 C ATOM 554 CZ TYR B 16 -4.139 5.781 8.421 1.00 2.11 C ATOM 555 OH TYR B 16 -3.523 6.543 9.386 1.00 3.16 O ATOM 0 H TYR B 16 -4.105 2.350 4.166 1.00 1.67 H new ATOM 0 HA TYR B 16 -6.594 3.625 3.285 1.00 1.89 H new ATOM 0 HB2 TYR B 16 -7.155 3.507 5.490 1.00 2.55 H new ATOM 0 HB3 TYR B 16 -5.823 2.369 5.537 1.00 2.55 H new ATOM 0 HD1 TYR B 16 -6.370 6.085 5.920 1.00 0.73 H new ATOM 0 HD2 TYR B 16 -4.259 2.635 7.219 1.00 2.30 H new ATOM 0 HE1 TYR B 16 -5.259 7.413 7.661 1.00 0.96 H new ATOM 0 HE2 TYR B 16 -3.165 3.975 8.955 1.00 2.65 H new ATOM 0 HH TYR B 16 -2.751 6.057 9.743 1.00 3.16 H new ATOM 565 N LEU B 17 -4.070 5.576 4.169 1.00 1.73 N ATOM 566 CA LEU B 17 -3.529 6.968 4.054 1.00 1.86 C ATOM 567 C LEU B 17 -3.616 7.488 2.586 1.00 1.48 C ATOM 568 O LEU B 17 -4.085 8.585 2.357 1.00 1.63 O ATOM 569 CB LEU B 17 -2.075 6.901 4.601 1.00 2.25 C ATOM 570 CG LEU B 17 -1.318 8.235 4.434 1.00 1.85 C ATOM 571 CD1 LEU B 17 -2.077 9.370 5.128 1.00 1.73 C ATOM 572 CD2 LEU B 17 0.019 8.084 5.155 1.00 2.82 C ATOM 0 H LEU B 17 -3.441 4.910 4.618 1.00 1.73 H new ATOM 0 HA LEU B 17 -4.112 7.687 4.630 1.00 1.86 H new ATOM 0 HB2 LEU B 17 -2.100 6.631 5.657 1.00 2.25 H new ATOM 0 HB3 LEU B 17 -1.531 6.111 4.082 1.00 2.25 H new ATOM 0 HG LEU B 17 -1.205 8.463 3.374 1.00 1.85 H new ATOM 0 HD11 LEU B 17 -1.530 10.304 5.001 1.00 1.73 H new ATOM 0 HD12 LEU B 17 -3.069 9.467 4.687 1.00 1.73 H new ATOM 0 HD13 LEU B 17 -2.173 9.147 6.191 1.00 1.73 H new ATOM 0 HD21 LEU B 17 0.589 9.008 5.062 1.00 2.82 H new ATOM 0 HD22 LEU B 17 -0.158 7.872 6.209 1.00 2.82 H new ATOM 0 HD23 LEU B 17 0.582 7.264 4.709 1.00 2.82 H new ATOM 584 N VAL B 18 -3.170 6.708 1.630 1.00 1.09 N ATOM 585 CA VAL B 18 -3.248 7.186 0.196 1.00 0.90 C ATOM 586 C VAL B 18 -4.711 7.318 -0.332 1.00 0.82 C ATOM 587 O VAL B 18 -5.038 8.345 -0.895 1.00 1.22 O ATOM 588 CB VAL B 18 -2.436 6.223 -0.764 1.00 0.49 C ATOM 589 CG1 VAL B 18 -1.024 5.974 -0.225 1.00 2.38 C ATOM 590 CG2 VAL B 18 -3.110 4.895 -1.046 1.00 1.57 C ATOM 0 H VAL B 18 -2.764 5.782 1.766 1.00 1.09 H new ATOM 0 HA VAL B 18 -2.805 8.182 0.192 1.00 0.90 H new ATOM 0 HB VAL B 18 -2.392 6.754 -1.715 1.00 0.49 H new ATOM 0 HG11 VAL B 18 -0.488 5.310 -0.903 1.00 2.38 H new ATOM 0 HG12 VAL B 18 -0.491 6.922 -0.149 1.00 2.38 H new ATOM 0 HG13 VAL B 18 -1.087 5.513 0.761 1.00 2.38 H new ATOM 0 HG21 VAL B 18 -2.482 4.302 -1.711 1.00 1.57 H new ATOM 0 HG22 VAL B 18 -3.257 4.356 -0.110 1.00 1.57 H new ATOM 0 HG23 VAL B 18 -4.076 5.071 -1.520 1.00 1.57 H new ATOM 600 N CYS B 19 -5.586 6.341 -0.177 1.00 0.35 N ATOM 601 CA CYS B 19 -6.990 6.547 -0.719 1.00 0.58 C ATOM 602 C CYS B 19 -8.213 6.517 0.242 1.00 0.72 C ATOM 603 O CYS B 19 -9.314 6.374 -0.247 1.00 0.53 O ATOM 604 CB CYS B 19 -7.185 5.500 -1.777 1.00 1.43 C ATOM 605 SG CYS B 19 -7.819 3.900 -1.205 1.00 1.39 S ATOM 0 H CYS B 19 -5.407 5.446 0.279 1.00 0.35 H new ATOM 0 HA CYS B 19 -7.000 7.586 -1.048 1.00 0.58 H new ATOM 0 HB2 CYS B 19 -7.871 5.893 -2.527 1.00 1.43 H new ATOM 0 HB3 CYS B 19 -6.230 5.333 -2.275 1.00 1.43 H new ATOM 611 N GLY B 20 -8.016 6.652 1.527 1.00 2.18 N ATOM 612 CA GLY B 20 -9.110 6.642 2.602 1.00 3.11 C ATOM 613 C GLY B 20 -10.573 6.196 2.324 1.00 2.89 C ATOM 614 O GLY B 20 -11.114 5.395 3.054 1.00 3.76 O ATOM 0 H GLY B 20 -7.083 6.778 1.919 1.00 2.18 H new ATOM 0 HA2 GLY B 20 -8.743 6.009 3.410 1.00 3.11 H new ATOM 0 HA3 GLY B 20 -9.166 7.658 2.994 1.00 3.11 H new ATOM 618 N GLU B 21 -11.169 6.711 1.297 1.00 1.90 N ATOM 619 CA GLU B 21 -12.584 6.400 0.878 1.00 1.64 C ATOM 620 C GLU B 21 -12.719 5.246 -0.164 1.00 0.64 C ATOM 621 O GLU B 21 -13.670 4.485 -0.200 1.00 1.05 O ATOM 622 CB GLU B 21 -13.161 7.719 0.307 1.00 2.10 C ATOM 623 CG GLU B 21 -12.114 8.314 -0.739 1.00 1.82 C ATOM 624 CD GLU B 21 -12.732 8.965 -1.955 1.00 2.50 C ATOM 625 OE1 GLU B 21 -13.594 8.372 -2.560 1.00 2.87 O ATOM 626 OE2 GLU B 21 -12.290 10.045 -2.282 1.00 3.18 O ATOM 0 H GLU B 21 -10.711 7.383 0.681 1.00 1.90 H new ATOM 0 HA GLU B 21 -13.133 6.035 1.746 1.00 1.64 H new ATOM 0 HB2 GLU B 21 -14.119 7.535 -0.178 1.00 2.10 H new ATOM 0 HB3 GLU B 21 -13.342 8.433 1.110 1.00 2.10 H new ATOM 0 HG2 GLU B 21 -11.490 9.048 -0.229 1.00 1.82 H new ATOM 0 HG3 GLU B 21 -11.456 7.511 -1.070 1.00 1.82 H new ATOM 633 N ARG B 22 -11.724 5.131 -0.990 1.00 0.81 N ATOM 634 CA ARG B 22 -11.652 4.116 -2.069 1.00 2.19 C ATOM 635 C ARG B 22 -11.298 2.678 -1.608 1.00 2.55 C ATOM 636 O ARG B 22 -10.271 2.120 -1.943 1.00 4.03 O ATOM 637 CB ARG B 22 -10.643 4.720 -3.072 1.00 3.02 C ATOM 638 CG ARG B 22 -11.224 6.081 -3.558 1.00 4.08 C ATOM 639 CD ARG B 22 -10.105 7.070 -3.824 1.00 5.03 C ATOM 640 NE ARG B 22 -10.811 8.396 -3.930 1.00 6.38 N ATOM 641 CZ ARG B 22 -11.261 8.898 -4.989 1.00 7.87 C ATOM 642 NH1 ARG B 22 -10.516 8.923 -5.993 1.00 8.80 N ATOM 643 NH2 ARG B 22 -12.427 9.339 -4.956 1.00 8.52 N ATOM 0 H ARG B 22 -10.907 5.740 -0.956 1.00 0.81 H new ATOM 0 HA ARG B 22 -12.633 3.942 -2.512 1.00 2.19 H new ATOM 0 HB2 ARG B 22 -9.672 4.865 -2.599 1.00 3.02 H new ATOM 0 HB3 ARG B 22 -10.490 4.046 -3.915 1.00 3.02 H new ATOM 0 HG2 ARG B 22 -11.808 5.931 -4.466 1.00 4.08 H new ATOM 0 HG3 ARG B 22 -11.902 6.483 -2.806 1.00 4.08 H new ATOM 0 HD2 ARG B 22 -9.372 7.071 -3.017 1.00 5.03 H new ATOM 0 HD3 ARG B 22 -9.568 6.829 -4.741 1.00 5.03 H new ATOM 0 HE ARG B 22 -10.934 8.931 -3.070 1.00 6.38 H new ATOM 0 HH11 ARG B 22 -9.571 8.542 -5.937 1.00 8.80 H new ATOM 0 HH12 ARG B 22 -10.853 9.324 -6.868 1.00 8.80 H new ATOM 0 HH21 ARG B 22 -12.970 9.282 -4.094 1.00 8.52 H new ATOM 0 HH22 ARG B 22 -12.838 9.757 -5.791 1.00 8.52 H new ATOM 657 N GLY B 23 -12.212 2.159 -0.833 1.00 1.55 N ATOM 658 CA GLY B 23 -12.180 0.772 -0.210 1.00 1.56 C ATOM 659 C GLY B 23 -11.012 -0.197 -0.450 1.00 1.90 C ATOM 660 O GLY B 23 -11.238 -1.330 -0.813 1.00 2.67 O ATOM 0 H GLY B 23 -13.054 2.676 -0.580 1.00 1.55 H new ATOM 0 HA2 GLY B 23 -12.259 0.909 0.868 1.00 1.56 H new ATOM 0 HA3 GLY B 23 -13.086 0.260 -0.534 1.00 1.56 H new ATOM 664 N PHE B 24 -9.815 0.267 -0.242 1.00 1.51 N ATOM 665 CA PHE B 24 -8.556 -0.542 -0.415 1.00 1.84 C ATOM 666 C PHE B 24 -8.636 -2.066 -0.774 1.00 1.78 C ATOM 667 O PHE B 24 -8.922 -2.929 0.031 1.00 1.71 O ATOM 668 CB PHE B 24 -7.736 -0.284 0.909 1.00 2.05 C ATOM 669 CG PHE B 24 -8.531 -0.424 2.232 1.00 1.38 C ATOM 670 CD1 PHE B 24 -9.669 -1.197 2.358 1.00 2.61 C ATOM 671 CD2 PHE B 24 -8.077 0.248 3.352 1.00 0.64 C ATOM 672 CE1 PHE B 24 -10.328 -1.298 3.564 1.00 3.40 C ATOM 673 CE2 PHE B 24 -8.732 0.151 4.563 1.00 1.15 C ATOM 674 CZ PHE B 24 -9.862 -0.625 4.670 1.00 2.75 C ATOM 0 H PHE B 24 -9.640 1.226 0.058 1.00 1.51 H new ATOM 0 HA PHE B 24 -8.089 -0.196 -1.337 1.00 1.84 H new ATOM 0 HB2 PHE B 24 -6.897 -0.979 0.936 1.00 2.05 H new ATOM 0 HB3 PHE B 24 -7.316 0.721 0.864 1.00 2.05 H new ATOM 0 HD1 PHE B 24 -10.048 -1.730 1.499 1.00 2.61 H new ATOM 0 HD2 PHE B 24 -7.191 0.862 3.278 1.00 0.64 H new ATOM 0 HE1 PHE B 24 -11.215 -1.909 3.642 1.00 3.40 H new ATOM 0 HE2 PHE B 24 -8.358 0.684 5.425 1.00 1.15 H new ATOM 0 HZ PHE B 24 -10.380 -0.706 5.614 1.00 2.75 H new ATOM 684 N PHE B 25 -8.353 -2.373 -2.008 1.00 1.87 N ATOM 685 CA PHE B 25 -8.400 -3.798 -2.479 1.00 1.83 C ATOM 686 C PHE B 25 -7.180 -4.646 -1.982 1.00 1.63 C ATOM 687 O PHE B 25 -6.281 -4.999 -2.725 1.00 1.96 O ATOM 688 CB PHE B 25 -8.475 -3.717 -4.019 1.00 2.00 C ATOM 689 CG PHE B 25 -8.945 -5.058 -4.584 1.00 2.75 C ATOM 690 CD1 PHE B 25 -10.286 -5.371 -4.583 1.00 2.68 C ATOM 691 CD2 PHE B 25 -8.047 -5.966 -5.094 1.00 4.04 C ATOM 692 CE1 PHE B 25 -10.729 -6.575 -5.086 1.00 3.86 C ATOM 693 CE2 PHE B 25 -8.482 -7.172 -5.599 1.00 5.18 C ATOM 694 CZ PHE B 25 -9.825 -7.480 -5.596 1.00 5.09 C ATOM 0 H PHE B 25 -8.088 -1.695 -2.723 1.00 1.87 H new ATOM 0 HA PHE B 25 -9.263 -4.319 -2.064 1.00 1.83 H new ATOM 0 HB2 PHE B 25 -9.162 -2.925 -4.318 1.00 2.00 H new ATOM 0 HB3 PHE B 25 -7.497 -3.462 -4.427 1.00 2.00 H new ATOM 0 HD1 PHE B 25 -10.999 -4.665 -4.183 1.00 2.68 H new ATOM 0 HD2 PHE B 25 -6.993 -5.732 -5.099 1.00 4.04 H new ATOM 0 HE1 PHE B 25 -11.783 -6.808 -5.080 1.00 3.86 H new ATOM 0 HE2 PHE B 25 -7.768 -7.878 -5.998 1.00 5.18 H new ATOM 0 HZ PHE B 25 -10.167 -8.425 -5.991 1.00 5.09 H new ATOM 704 N TYR B 26 -7.172 -4.934 -0.709 1.00 1.15 N ATOM 705 CA TYR B 26 -6.058 -5.750 -0.096 1.00 0.90 C ATOM 706 C TYR B 26 -6.534 -6.806 0.940 1.00 0.41 C ATOM 707 O TYR B 26 -7.684 -6.862 1.324 1.00 1.20 O ATOM 708 CB TYR B 26 -5.058 -4.784 0.597 1.00 1.81 C ATOM 709 CG TYR B 26 -5.556 -4.414 2.008 1.00 1.19 C ATOM 710 CD1 TYR B 26 -6.697 -3.673 2.176 1.00 2.53 C ATOM 711 CD2 TYR B 26 -4.878 -4.842 3.130 1.00 0.26 C ATOM 712 CE1 TYR B 26 -7.163 -3.363 3.435 1.00 3.40 C ATOM 713 CE2 TYR B 26 -5.350 -4.528 4.394 1.00 1.43 C ATOM 714 CZ TYR B 26 -6.493 -3.789 4.541 1.00 2.93 C ATOM 715 OH TYR B 26 -6.982 -3.489 5.790 1.00 4.16 O ATOM 0 H TYR B 26 -7.894 -4.640 -0.051 1.00 1.15 H new ATOM 0 HA TYR B 26 -5.597 -6.307 -0.912 1.00 0.90 H new ATOM 0 HB2 TYR B 26 -4.076 -5.253 0.663 1.00 1.81 H new ATOM 0 HB3 TYR B 26 -4.941 -3.881 -0.002 1.00 1.81 H new ATOM 0 HD1 TYR B 26 -7.239 -3.327 1.308 1.00 2.53 H new ATOM 0 HD2 TYR B 26 -3.975 -5.425 3.023 1.00 0.26 H new ATOM 0 HE1 TYR B 26 -8.065 -2.779 3.545 1.00 3.40 H new ATOM 0 HE2 TYR B 26 -4.814 -4.868 5.268 1.00 1.43 H new ATOM 0 HH TYR B 26 -6.389 -3.866 6.473 1.00 4.16 H new ATOM 725 N THR B 27 -5.618 -7.623 1.389 1.00 1.35 N ATOM 726 CA THR B 27 -6.006 -8.667 2.408 1.00 2.51 C ATOM 727 C THR B 27 -5.371 -8.391 3.791 1.00 4.17 C ATOM 728 O THR B 27 -5.953 -7.603 4.514 1.00 5.31 O ATOM 729 CB THR B 27 -5.609 -10.078 1.846 1.00 2.85 C ATOM 730 OG1 THR B 27 -5.986 -10.960 2.889 1.00 4.04 O ATOM 731 CG2 THR B 27 -4.136 -10.406 1.731 1.00 3.98 C ATOM 0 H THR B 27 -4.637 -7.622 1.108 1.00 1.35 H new ATOM 0 HA THR B 27 -7.083 -8.633 2.570 1.00 2.51 H new ATOM 0 HB THR B 27 -6.053 -10.136 0.852 1.00 2.85 H new ATOM 0 HG1 THR B 27 -5.777 -11.882 2.630 1.00 4.04 H new ATOM 0 HG21 THR B 27 -4.018 -11.412 1.328 1.00 3.98 H new ATOM 0 HG22 THR B 27 -3.655 -9.690 1.065 1.00 3.98 H new ATOM 0 HG23 THR B 27 -3.673 -10.353 2.717 1.00 3.98 H new ATOM 739 N PRO B 28 -4.249 -8.959 4.164 1.00 4.50 N ATOM 740 CA PRO B 28 -4.199 -9.714 5.480 1.00 5.66 C ATOM 741 C PRO B 28 -5.570 -9.767 6.236 1.00 6.68 C ATOM 742 O PRO B 28 -5.713 -9.421 7.393 1.00 7.98 O ATOM 743 CB PRO B 28 -3.082 -8.988 6.253 1.00 6.61 C ATOM 744 CG PRO B 28 -2.121 -8.592 5.121 1.00 5.82 C ATOM 745 CD PRO B 28 -3.074 -8.037 4.057 1.00 4.90 C ATOM 0 HA PRO B 28 -3.991 -10.776 5.347 1.00 5.66 H new ATOM 0 HB2 PRO B 28 -3.457 -8.119 6.793 1.00 6.61 H new ATOM 0 HB3 PRO B 28 -2.604 -9.637 6.986 1.00 6.61 H new ATOM 0 HG2 PRO B 28 -1.396 -7.845 5.446 1.00 5.82 H new ATOM 0 HG3 PRO B 28 -1.554 -9.447 4.752 1.00 5.82 H new ATOM 0 HD2 PRO B 28 -3.350 -7.002 4.259 1.00 4.90 H new ATOM 0 HD3 PRO B 28 -2.629 -8.060 3.062 1.00 4.90 H new ATOM 753 N LYS B 29 -6.570 -10.212 5.531 1.00 6.18 N ATOM 754 CA LYS B 29 -7.967 -10.323 6.080 1.00 7.33 C ATOM 755 C LYS B 29 -8.560 -11.761 6.014 1.00 7.63 C ATOM 756 O LYS B 29 -9.503 -12.029 5.302 1.00 7.79 O ATOM 757 CB LYS B 29 -8.793 -9.274 5.259 1.00 6.93 C ATOM 758 CG LYS B 29 -9.782 -8.454 6.133 1.00 8.45 C ATOM 759 CD LYS B 29 -9.043 -7.631 7.260 1.00 9.04 C ATOM 760 CE LYS B 29 -7.710 -6.985 6.825 1.00 8.07 C ATOM 761 NZ LYS B 29 -7.945 -6.142 5.619 1.00 7.83 N ATOM 0 H LYS B 29 -6.482 -10.516 4.561 1.00 6.18 H new ATOM 0 HA LYS B 29 -7.990 -10.115 7.150 1.00 7.33 H new ATOM 0 HB2 LYS B 29 -8.106 -8.590 4.760 1.00 6.93 H new ATOM 0 HB3 LYS B 29 -9.351 -9.791 4.478 1.00 6.93 H new ATOM 0 HG2 LYS B 29 -10.345 -7.771 5.497 1.00 8.45 H new ATOM 0 HG3 LYS B 29 -10.503 -9.129 6.593 1.00 8.45 H new ATOM 0 HD2 LYS B 29 -9.712 -6.846 7.614 1.00 9.04 H new ATOM 0 HD3 LYS B 29 -8.851 -8.292 8.105 1.00 9.04 H new ATOM 0 HE2 LYS B 29 -7.305 -6.378 7.635 1.00 8.07 H new ATOM 0 HE3 LYS B 29 -6.972 -7.757 6.606 1.00 8.07 H new ATOM 0 HZ1 LYS B 29 -7.500 -6.588 4.792 1.00 7.83 H new ATOM 0 HZ2 LYS B 29 -8.968 -6.049 5.454 1.00 7.83 H new ATOM 0 HZ3 LYS B 29 -7.532 -5.199 5.768 1.00 7.83 H new ATOM 775 N THR B 30 -7.980 -12.651 6.770 1.00 7.91 N ATOM 776 CA THR B 30 -8.426 -14.111 6.832 1.00 8.42 C ATOM 777 C THR B 30 -9.454 -14.596 5.775 1.00 8.52 C ATOM 778 O THR B 30 -9.831 -15.752 5.734 1.00 8.96 O ATOM 779 CB THR B 30 -9.001 -14.372 8.248 1.00 9.69 C ATOM 780 OG1 THR B 30 -9.175 -15.770 8.350 1.00 10.03 O ATOM 781 CG2 THR B 30 -10.445 -13.935 8.405 1.00 10.68 C ATOM 0 H THR B 30 -7.187 -12.438 7.375 1.00 7.91 H new ATOM 0 HA THR B 30 -7.529 -14.685 6.600 1.00 8.42 H new ATOM 0 HB THR B 30 -8.334 -13.867 8.947 1.00 9.69 H new ATOM 0 HG1 THR B 30 -9.523 -16.119 7.503 1.00 10.03 H new ATOM 0 HG21 THR B 30 -10.781 -14.148 9.420 1.00 10.68 H new ATOM 0 HG22 THR B 30 -10.524 -12.865 8.213 1.00 10.68 H new ATOM 0 HG23 THR B 30 -11.069 -14.478 7.695 1.00 10.68 H new TER 789 THR B 30