USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 583 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 GLN : amide:sc= 0.544 K(o=2.3,f=1) USER MOD Set 1.2: A 73 THR OG1 : rot -96:sc= 1.72 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 1.12 K(o=1.1,f=-0.16) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -133:sc= 0.538 (180deg=-0.103) USER MOD Single : A 31 SER OG : rot -82:sc= -0.959! USER MOD Single : A 33 THR OG1 : rot -31:sc= 0.439 USER MOD Single : A 40 SER OG : rot 180:sc= -0.0289 USER MOD Single : A 42 SER OG : rot 180:sc= -0.36 USER MOD Single : A 43 MET CE :methyl -122:sc= -0.24 (180deg=-2.62!) USER MOD Single : A 57 LYS NZ :NH3+ -165:sc= -0.0268 (180deg=-0.233) USER MOD Single : A 64 LYS NZ :NH3+ -173:sc= 1.01 (180deg=0.899) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 175:sc= 1.03 (180deg=0.922) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.436 USER MOD Single : A 74 LYS NZ :NH3+ 170:sc= -0.021 (180deg=-0.142) USER MOD Single : A 75 TYR OH : rot 53:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 13 N ALA A 2 9.785 9.182 -2.879 1.00 1.12 N ATOM 14 CA ALA A 2 8.709 10.000 -2.400 1.00 0.91 C ATOM 15 C ALA A 2 8.543 9.722 -0.926 1.00 0.87 C ATOM 16 O ALA A 2 8.937 8.661 -0.457 1.00 1.07 O ATOM 17 CB ALA A 2 7.443 9.671 -3.169 1.00 0.92 C ATOM 0 HA ALA A 2 8.920 11.059 -2.548 1.00 0.91 H new ATOM 0 HB1 ALA A 2 6.625 10.292 -2.805 1.00 0.92 H new ATOM 0 HB2 ALA A 2 7.601 9.864 -4.230 1.00 0.92 H new ATOM 0 HB3 ALA A 2 7.192 8.620 -3.025 1.00 0.92 H new ATOM 23 N THR A 3 8.012 10.640 -0.179 1.00 0.76 N ATOM 24 CA THR A 3 7.874 10.385 1.227 1.00 0.76 C ATOM 25 C THR A 3 6.497 9.778 1.515 1.00 0.56 C ATOM 26 O THR A 3 5.709 9.638 0.595 1.00 0.48 O ATOM 27 CB THR A 3 8.146 11.649 2.059 1.00 0.97 C ATOM 28 OG1 THR A 3 8.988 12.539 1.285 1.00 1.45 O ATOM 29 CG2 THR A 3 8.880 11.306 3.349 1.00 1.57 C ATOM 0 H THR A 3 7.675 11.547 -0.503 1.00 0.76 H new ATOM 0 HA THR A 3 8.628 9.658 1.529 1.00 0.76 H new ATOM 0 HB THR A 3 7.192 12.115 2.305 1.00 0.97 H new ATOM 0 HG1 THR A 3 9.169 13.351 1.803 1.00 1.45 H new ATOM 0 HG21 THR A 3 9.060 12.218 3.919 1.00 1.57 H new ATOM 0 HG22 THR A 3 8.273 10.621 3.942 1.00 1.57 H new ATOM 0 HG23 THR A 3 9.833 10.833 3.111 1.00 1.57 H new ATOM 37 N GLN A 4 6.209 9.473 2.786 1.00 0.58 N ATOM 38 CA GLN A 4 4.981 8.784 3.218 1.00 0.52 C ATOM 39 C GLN A 4 3.719 9.355 2.575 1.00 0.49 C ATOM 40 O GLN A 4 2.906 8.611 2.028 1.00 0.51 O ATOM 41 CB GLN A 4 4.869 8.828 4.750 1.00 0.65 C ATOM 42 CG GLN A 4 3.536 8.338 5.284 1.00 1.14 C ATOM 43 CD GLN A 4 3.475 8.312 6.787 1.00 1.21 C ATOM 44 OE1 GLN A 4 3.113 9.306 7.430 1.00 1.64 O ATOM 45 NE2 GLN A 4 3.750 7.174 7.355 1.00 1.76 N ATOM 0 H GLN A 4 6.833 9.701 3.560 1.00 0.58 H new ATOM 0 HA GLN A 4 5.059 7.750 2.882 1.00 0.52 H new ATOM 0 HB2 GLN A 4 5.666 8.222 5.180 1.00 0.65 H new ATOM 0 HB3 GLN A 4 5.030 9.852 5.087 1.00 0.65 H new ATOM 0 HG2 GLN A 4 2.741 8.981 4.905 1.00 1.14 H new ATOM 0 HG3 GLN A 4 3.345 7.336 4.901 1.00 1.14 H new ATOM 0 HE21 GLN A 4 4.045 6.379 6.788 1.00 1.76 H new ATOM 0 HE22 GLN A 4 3.670 7.077 8.367 1.00 1.76 H new ATOM 54 N GLU A 5 3.607 10.657 2.605 1.00 0.53 N ATOM 55 CA GLU A 5 2.456 11.373 2.092 1.00 0.58 C ATOM 56 C GLU A 5 2.275 11.080 0.605 1.00 0.53 C ATOM 57 O GLU A 5 1.208 10.624 0.167 1.00 0.60 O ATOM 58 CB GLU A 5 2.617 12.890 2.287 1.00 0.72 C ATOM 59 CG GLU A 5 3.259 13.332 3.606 1.00 1.48 C ATOM 60 CD GLU A 5 4.780 13.280 3.564 1.00 2.18 C ATOM 61 OE1 GLU A 5 5.351 12.220 3.882 1.00 3.05 O ATOM 62 OE2 GLU A 5 5.424 14.299 3.250 1.00 2.49 O ATOM 0 H GLU A 5 4.326 11.267 2.994 1.00 0.53 H new ATOM 0 HA GLU A 5 1.580 11.036 2.646 1.00 0.58 H new ATOM 0 HB2 GLU A 5 3.217 13.281 1.465 1.00 0.72 H new ATOM 0 HB3 GLU A 5 1.633 13.353 2.212 1.00 0.72 H new ATOM 0 HG2 GLU A 5 2.940 14.348 3.838 1.00 1.48 H new ATOM 0 HG3 GLU A 5 2.900 12.693 4.413 1.00 1.48 H new ATOM 69 N GLU A 6 3.337 11.290 -0.144 1.00 0.50 N ATOM 70 CA GLU A 6 3.340 11.074 -1.577 1.00 0.50 C ATOM 71 C GLU A 6 3.205 9.593 -1.903 1.00 0.42 C ATOM 72 O GLU A 6 2.629 9.221 -2.936 1.00 0.43 O ATOM 73 CB GLU A 6 4.615 11.627 -2.184 1.00 0.59 C ATOM 74 CG GLU A 6 4.796 13.117 -1.998 1.00 1.06 C ATOM 75 CD GLU A 6 3.668 13.922 -2.591 1.00 1.75 C ATOM 76 OE1 GLU A 6 3.733 14.264 -3.785 1.00 2.16 O ATOM 77 OE2 GLU A 6 2.718 14.243 -1.872 1.00 2.53 O ATOM 0 H GLU A 6 4.229 11.618 0.226 1.00 0.50 H new ATOM 0 HA GLU A 6 2.485 11.598 -2.004 1.00 0.50 H new ATOM 0 HB2 GLU A 6 5.468 11.111 -1.742 1.00 0.59 H new ATOM 0 HB3 GLU A 6 4.624 11.402 -3.250 1.00 0.59 H new ATOM 0 HG2 GLU A 6 4.874 13.339 -0.934 1.00 1.06 H new ATOM 0 HG3 GLU A 6 5.736 13.424 -2.457 1.00 1.06 H new ATOM 84 N ILE A 7 3.724 8.752 -1.019 1.00 0.36 N ATOM 85 CA ILE A 7 3.617 7.328 -1.179 1.00 0.33 C ATOM 86 C ILE A 7 2.142 6.906 -1.078 1.00 0.30 C ATOM 87 O ILE A 7 1.644 6.191 -1.930 1.00 0.30 O ATOM 88 CB ILE A 7 4.501 6.537 -0.161 1.00 0.36 C ATOM 89 CG1 ILE A 7 5.997 6.767 -0.458 1.00 0.40 C ATOM 90 CG2 ILE A 7 4.182 5.047 -0.201 1.00 0.40 C ATOM 91 CD1 ILE A 7 6.435 6.357 -1.862 1.00 0.45 C ATOM 0 H ILE A 7 4.225 9.045 -0.180 1.00 0.36 H new ATOM 0 HA ILE A 7 3.999 7.077 -2.169 1.00 0.33 H new ATOM 0 HB ILE A 7 4.277 6.908 0.839 1.00 0.36 H new ATOM 0 HG12 ILE A 7 6.225 7.823 -0.314 1.00 0.40 H new ATOM 0 HG13 ILE A 7 6.588 6.212 0.270 1.00 0.40 H new ATOM 0 HG21 ILE A 7 4.811 4.521 0.517 1.00 0.40 H new ATOM 0 HG22 ILE A 7 3.134 4.892 0.054 1.00 0.40 H new ATOM 0 HG23 ILE A 7 4.373 4.661 -1.202 1.00 0.40 H new ATOM 0 HD11 ILE A 7 7.500 6.554 -1.983 1.00 0.45 H new ATOM 0 HD12 ILE A 7 6.244 5.294 -2.007 1.00 0.45 H new ATOM 0 HD13 ILE A 7 5.874 6.930 -2.600 1.00 0.45 H new ATOM 103 N VAL A 8 1.444 7.390 -0.043 1.00 0.31 N ATOM 104 CA VAL A 8 0.003 7.109 0.142 1.00 0.35 C ATOM 105 C VAL A 8 -0.798 7.592 -1.076 1.00 0.34 C ATOM 106 O VAL A 8 -1.712 6.898 -1.553 1.00 0.36 O ATOM 107 CB VAL A 8 -0.557 7.757 1.451 1.00 0.45 C ATOM 108 CG1 VAL A 8 -2.064 7.570 1.562 1.00 0.57 C ATOM 109 CG2 VAL A 8 0.108 7.149 2.667 1.00 0.49 C ATOM 0 H VAL A 8 1.849 7.980 0.684 1.00 0.31 H new ATOM 0 HA VAL A 8 -0.108 6.029 0.238 1.00 0.35 H new ATOM 0 HB VAL A 8 -0.338 8.824 1.406 1.00 0.45 H new ATOM 0 HG11 VAL A 8 -2.421 8.032 2.483 1.00 0.57 H new ATOM 0 HG12 VAL A 8 -2.553 8.039 0.708 1.00 0.57 H new ATOM 0 HG13 VAL A 8 -2.299 6.506 1.575 1.00 0.57 H new ATOM 0 HG21 VAL A 8 -0.292 7.611 3.570 1.00 0.49 H new ATOM 0 HG22 VAL A 8 -0.087 6.077 2.690 1.00 0.49 H new ATOM 0 HG23 VAL A 8 1.183 7.321 2.618 1.00 0.49 H new ATOM 119 N ALA A 9 -0.415 8.752 -1.602 1.00 0.37 N ATOM 120 CA ALA A 9 -1.034 9.307 -2.800 1.00 0.41 C ATOM 121 C ALA A 9 -0.892 8.337 -3.978 1.00 0.37 C ATOM 122 O ALA A 9 -1.805 8.191 -4.793 1.00 0.43 O ATOM 123 CB ALA A 9 -0.409 10.646 -3.142 1.00 0.48 C ATOM 0 H ALA A 9 0.329 9.330 -1.212 1.00 0.37 H new ATOM 0 HA ALA A 9 -2.096 9.456 -2.603 1.00 0.41 H new ATOM 0 HB1 ALA A 9 -0.880 11.049 -4.038 1.00 0.48 H new ATOM 0 HB2 ALA A 9 -0.555 11.338 -2.313 1.00 0.48 H new ATOM 0 HB3 ALA A 9 0.658 10.514 -3.321 1.00 0.48 H new ATOM 129 N GLY A 10 0.251 7.665 -4.045 1.00 0.33 N ATOM 130 CA GLY A 10 0.489 6.685 -5.081 1.00 0.34 C ATOM 131 C GLY A 10 -0.263 5.393 -4.801 1.00 0.31 C ATOM 132 O GLY A 10 -0.819 4.795 -5.702 1.00 0.37 O ATOM 0 H GLY A 10 1.024 7.786 -3.391 1.00 0.33 H new ATOM 0 HA2 GLY A 10 0.178 7.088 -6.045 1.00 0.34 H new ATOM 0 HA3 GLY A 10 1.557 6.479 -5.152 1.00 0.34 H new ATOM 136 N LEU A 11 -0.287 4.984 -3.528 1.00 0.26 N ATOM 137 CA LEU A 11 -0.986 3.765 -3.084 1.00 0.25 C ATOM 138 C LEU A 11 -2.439 3.804 -3.497 1.00 0.23 C ATOM 139 O LEU A 11 -2.983 2.823 -4.031 1.00 0.24 O ATOM 140 CB LEU A 11 -0.909 3.610 -1.553 1.00 0.28 C ATOM 141 CG LEU A 11 0.466 3.325 -0.953 1.00 0.30 C ATOM 142 CD1 LEU A 11 0.399 3.389 0.566 1.00 0.33 C ATOM 143 CD2 LEU A 11 0.952 1.954 -1.385 1.00 0.32 C ATOM 0 H LEU A 11 0.178 5.487 -2.772 1.00 0.26 H new ATOM 0 HA LEU A 11 -0.493 2.916 -3.557 1.00 0.25 H new ATOM 0 HB2 LEU A 11 -1.293 4.524 -1.100 1.00 0.28 H new ATOM 0 HB3 LEU A 11 -1.580 2.803 -1.260 1.00 0.28 H new ATOM 0 HG LEU A 11 1.165 4.081 -1.312 1.00 0.30 H new ATOM 0 HD11 LEU A 11 1.385 3.184 0.983 1.00 0.33 H new ATOM 0 HD12 LEU A 11 0.074 4.383 0.874 1.00 0.33 H new ATOM 0 HD13 LEU A 11 -0.310 2.646 0.931 1.00 0.33 H new ATOM 0 HD21 LEU A 11 1.933 1.762 -0.951 1.00 0.32 H new ATOM 0 HD22 LEU A 11 0.249 1.194 -1.043 1.00 0.32 H new ATOM 0 HD23 LEU A 11 1.023 1.919 -2.472 1.00 0.32 H new ATOM 155 N ALA A 12 -3.052 4.953 -3.297 1.00 0.23 N ATOM 156 CA ALA A 12 -4.440 5.136 -3.605 1.00 0.23 C ATOM 157 C ALA A 12 -4.734 5.027 -5.089 1.00 0.21 C ATOM 158 O ALA A 12 -5.862 4.767 -5.446 1.00 0.24 O ATOM 159 CB ALA A 12 -4.962 6.431 -3.048 1.00 0.28 C ATOM 0 H ALA A 12 -2.595 5.781 -2.916 1.00 0.23 H new ATOM 0 HA ALA A 12 -4.969 4.316 -3.118 1.00 0.23 H new ATOM 0 HB1 ALA A 12 -6.017 6.537 -3.301 1.00 0.28 H new ATOM 0 HB2 ALA A 12 -4.846 6.434 -1.964 1.00 0.28 H new ATOM 0 HB3 ALA A 12 -4.402 7.263 -3.475 1.00 0.28 H new ATOM 165 N GLU A 13 -3.718 5.196 -5.957 1.00 0.24 N ATOM 166 CA GLU A 13 -3.935 5.041 -7.395 1.00 0.29 C ATOM 167 C GLU A 13 -4.352 3.625 -7.662 1.00 0.28 C ATOM 168 O GLU A 13 -5.411 3.376 -8.225 1.00 0.37 O ATOM 169 CB GLU A 13 -2.683 5.293 -8.232 1.00 0.42 C ATOM 170 CG GLU A 13 -2.006 6.628 -8.082 1.00 0.94 C ATOM 171 CD GLU A 13 -0.862 6.763 -9.067 1.00 1.53 C ATOM 172 OE1 GLU A 13 -0.041 5.821 -9.173 1.00 2.48 O ATOM 173 OE2 GLU A 13 -0.718 7.829 -9.706 1.00 1.55 O ATOM 0 H GLU A 13 -2.763 5.434 -5.690 1.00 0.24 H new ATOM 0 HA GLU A 13 -4.689 5.776 -7.676 1.00 0.29 H new ATOM 0 HB2 GLU A 13 -1.956 4.518 -7.991 1.00 0.42 H new ATOM 0 HB3 GLU A 13 -2.949 5.166 -9.282 1.00 0.42 H new ATOM 0 HG2 GLU A 13 -2.728 7.428 -8.244 1.00 0.94 H new ATOM 0 HG3 GLU A 13 -1.631 6.739 -7.064 1.00 0.94 H new ATOM 180 N ILE A 14 -3.539 2.691 -7.187 1.00 0.24 N ATOM 181 CA ILE A 14 -3.795 1.297 -7.429 1.00 0.28 C ATOM 182 C ILE A 14 -5.026 0.874 -6.645 1.00 0.25 C ATOM 183 O ILE A 14 -5.866 0.153 -7.148 1.00 0.32 O ATOM 184 CB ILE A 14 -2.619 0.326 -7.064 1.00 0.35 C ATOM 185 CG1 ILE A 14 -1.238 0.810 -7.542 1.00 0.43 C ATOM 186 CG2 ILE A 14 -2.893 -1.027 -7.685 1.00 0.42 C ATOM 187 CD1 ILE A 14 -0.546 1.774 -6.602 1.00 0.44 C ATOM 0 H ILE A 14 -2.703 2.882 -6.635 1.00 0.24 H new ATOM 0 HA ILE A 14 -3.934 1.212 -8.507 1.00 0.28 H new ATOM 0 HB ILE A 14 -2.580 0.281 -5.976 1.00 0.35 H new ATOM 0 HG12 ILE A 14 -0.595 -0.058 -7.689 1.00 0.43 H new ATOM 0 HG13 ILE A 14 -1.353 1.290 -8.514 1.00 0.43 H new ATOM 0 HG21 ILE A 14 -2.082 -1.712 -7.438 1.00 0.42 H new ATOM 0 HG22 ILE A 14 -3.832 -1.422 -7.297 1.00 0.42 H new ATOM 0 HG23 ILE A 14 -2.963 -0.923 -8.768 1.00 0.42 H new ATOM 0 HD11 ILE A 14 0.419 2.061 -7.020 1.00 0.44 H new ATOM 0 HD12 ILE A 14 -1.164 2.663 -6.473 1.00 0.44 H new ATOM 0 HD13 ILE A 14 -0.394 1.294 -5.635 1.00 0.44 H new ATOM 199 N VAL A 15 -5.147 1.359 -5.418 1.00 0.22 N ATOM 200 CA VAL A 15 -6.285 1.007 -4.597 1.00 0.22 C ATOM 201 C VAL A 15 -7.619 1.512 -5.228 1.00 0.22 C ATOM 202 O VAL A 15 -8.642 0.817 -5.195 1.00 0.25 O ATOM 203 CB VAL A 15 -6.111 1.450 -3.109 1.00 0.26 C ATOM 204 CG1 VAL A 15 -7.306 1.065 -2.294 1.00 0.30 C ATOM 205 CG2 VAL A 15 -4.900 0.780 -2.495 1.00 0.34 C ATOM 0 H VAL A 15 -4.477 1.990 -4.977 1.00 0.22 H new ATOM 0 HA VAL A 15 -6.340 -0.081 -4.572 1.00 0.22 H new ATOM 0 HB VAL A 15 -5.990 2.533 -3.106 1.00 0.26 H new ATOM 0 HG11 VAL A 15 -7.161 1.384 -1.262 1.00 0.30 H new ATOM 0 HG12 VAL A 15 -8.195 1.547 -2.701 1.00 0.30 H new ATOM 0 HG13 VAL A 15 -7.434 -0.017 -2.325 1.00 0.30 H new ATOM 0 HG21 VAL A 15 -4.794 1.100 -1.458 1.00 0.34 H new ATOM 0 HG22 VAL A 15 -5.026 -0.302 -2.530 1.00 0.34 H new ATOM 0 HG23 VAL A 15 -4.007 1.059 -3.054 1.00 0.34 H new ATOM 215 N ASN A 16 -7.581 2.676 -5.856 1.00 0.24 N ATOM 216 CA ASN A 16 -8.745 3.215 -6.576 1.00 0.30 C ATOM 217 C ASN A 16 -8.980 2.432 -7.864 1.00 0.34 C ATOM 218 O ASN A 16 -10.111 2.131 -8.218 1.00 0.43 O ATOM 219 CB ASN A 16 -8.569 4.717 -6.878 1.00 0.37 C ATOM 220 CG ASN A 16 -9.685 5.297 -7.734 1.00 0.50 C ATOM 221 OD1 ASN A 16 -9.586 5.323 -8.956 1.00 0.95 O ATOM 222 ND2 ASN A 16 -10.728 5.782 -7.108 1.00 0.48 N ATOM 0 H ASN A 16 -6.756 3.276 -5.887 1.00 0.24 H new ATOM 0 HA ASN A 16 -9.620 3.105 -5.935 1.00 0.30 H new ATOM 0 HB2 ASN A 16 -8.520 5.266 -5.937 1.00 0.37 H new ATOM 0 HB3 ASN A 16 -7.616 4.869 -7.385 1.00 0.37 H new ATOM 0 HD21 ASN A 16 -11.493 6.199 -7.639 1.00 0.48 H new ATOM 0 HD22 ASN A 16 -10.776 5.743 -6.090 1.00 0.48 H new ATOM 229 N GLU A 17 -7.899 2.078 -8.522 1.00 0.37 N ATOM 230 CA GLU A 17 -7.932 1.309 -9.761 1.00 0.48 C ATOM 231 C GLU A 17 -8.546 -0.088 -9.508 1.00 0.47 C ATOM 232 O GLU A 17 -9.427 -0.541 -10.242 1.00 0.60 O ATOM 233 CB GLU A 17 -6.493 1.167 -10.286 1.00 0.63 C ATOM 234 CG GLU A 17 -6.356 0.540 -11.657 1.00 1.05 C ATOM 235 CD GLU A 17 -4.907 0.358 -12.061 1.00 1.51 C ATOM 236 OE1 GLU A 17 -4.206 1.368 -12.270 1.00 1.70 O ATOM 237 OE2 GLU A 17 -4.439 -0.800 -12.180 1.00 2.11 O ATOM 0 H GLU A 17 -6.956 2.316 -8.213 1.00 0.37 H new ATOM 0 HA GLU A 17 -8.548 1.823 -10.499 1.00 0.48 H new ATOM 0 HB2 GLU A 17 -6.035 2.156 -10.311 1.00 0.63 H new ATOM 0 HB3 GLU A 17 -5.923 0.570 -9.574 1.00 0.63 H new ATOM 0 HG2 GLU A 17 -6.858 -0.428 -11.664 1.00 1.05 H new ATOM 0 HG3 GLU A 17 -6.861 1.166 -12.393 1.00 1.05 H new ATOM 244 N ILE A 18 -8.103 -0.722 -8.445 1.00 0.39 N ATOM 245 CA ILE A 18 -8.524 -2.074 -8.099 1.00 0.43 C ATOM 246 C ILE A 18 -9.883 -2.107 -7.397 1.00 0.44 C ATOM 247 O ILE A 18 -10.794 -2.783 -7.850 1.00 0.53 O ATOM 248 CB ILE A 18 -7.450 -2.718 -7.160 1.00 0.44 C ATOM 249 CG1 ILE A 18 -6.132 -2.907 -7.908 1.00 0.52 C ATOM 250 CG2 ILE A 18 -7.918 -4.025 -6.515 1.00 0.50 C ATOM 251 CD1 ILE A 18 -6.234 -3.788 -9.140 1.00 0.71 C ATOM 0 H ILE A 18 -7.436 -0.317 -7.788 1.00 0.39 H new ATOM 0 HA ILE A 18 -8.622 -2.634 -9.029 1.00 0.43 H new ATOM 0 HB ILE A 18 -7.291 -2.021 -6.337 1.00 0.44 H new ATOM 0 HG12 ILE A 18 -5.753 -1.929 -8.205 1.00 0.52 H new ATOM 0 HG13 ILE A 18 -5.399 -3.339 -7.226 1.00 0.52 H new ATOM 0 HG21 ILE A 18 -7.127 -4.419 -5.877 1.00 0.50 H new ATOM 0 HG22 ILE A 18 -8.808 -3.836 -5.915 1.00 0.50 H new ATOM 0 HG23 ILE A 18 -8.152 -4.751 -7.293 1.00 0.50 H new ATOM 0 HD11 ILE A 18 -5.254 -3.870 -9.611 1.00 0.71 H new ATOM 0 HD12 ILE A 18 -6.581 -4.780 -8.850 1.00 0.71 H new ATOM 0 HD13 ILE A 18 -6.940 -3.348 -9.844 1.00 0.71 H new ATOM 263 N ALA A 19 -10.026 -1.366 -6.333 1.00 0.40 N ATOM 264 CA ALA A 19 -11.229 -1.470 -5.527 1.00 0.46 C ATOM 265 C ALA A 19 -12.164 -0.289 -5.730 1.00 0.45 C ATOM 266 O ALA A 19 -13.387 -0.441 -5.713 1.00 0.68 O ATOM 267 CB ALA A 19 -10.854 -1.634 -4.069 1.00 0.52 C ATOM 0 H ALA A 19 -9.339 -0.689 -6.000 1.00 0.40 H new ATOM 0 HA ALA A 19 -11.779 -2.353 -5.854 1.00 0.46 H new ATOM 0 HB1 ALA A 19 -11.759 -1.712 -3.467 1.00 0.52 H new ATOM 0 HB2 ALA A 19 -10.258 -2.538 -3.946 1.00 0.52 H new ATOM 0 HB3 ALA A 19 -10.275 -0.770 -3.743 1.00 0.52 H new ATOM 273 N GLY A 20 -11.597 0.872 -5.917 1.00 0.44 N ATOM 274 CA GLY A 20 -12.412 2.047 -6.148 1.00 0.46 C ATOM 275 C GLY A 20 -12.703 2.806 -4.882 1.00 0.52 C ATOM 276 O GLY A 20 -13.851 2.888 -4.440 1.00 0.93 O ATOM 0 H GLY A 20 -10.590 1.035 -5.915 1.00 0.44 H new ATOM 0 HA2 GLY A 20 -11.904 2.705 -6.853 1.00 0.46 H new ATOM 0 HA3 GLY A 20 -13.352 1.748 -6.612 1.00 0.46 H new ATOM 280 N ILE A 21 -11.670 3.349 -4.298 1.00 0.38 N ATOM 281 CA ILE A 21 -11.791 4.140 -3.087 1.00 0.39 C ATOM 282 C ILE A 21 -11.662 5.620 -3.400 1.00 0.43 C ATOM 283 O ILE A 21 -11.127 5.979 -4.453 1.00 0.50 O ATOM 284 CB ILE A 21 -10.716 3.730 -2.024 1.00 0.39 C ATOM 285 CG1 ILE A 21 -9.293 3.607 -2.625 1.00 0.41 C ATOM 286 CG2 ILE A 21 -11.105 2.449 -1.313 1.00 0.60 C ATOM 287 CD1 ILE A 21 -8.587 4.900 -3.004 1.00 0.43 C ATOM 0 H ILE A 21 -10.714 3.260 -4.643 1.00 0.38 H new ATOM 0 HA ILE A 21 -12.779 3.946 -2.669 1.00 0.39 H new ATOM 0 HB ILE A 21 -10.686 4.539 -1.294 1.00 0.39 H new ATOM 0 HG12 ILE A 21 -8.667 3.078 -1.907 1.00 0.41 H new ATOM 0 HG13 ILE A 21 -9.355 2.982 -3.516 1.00 0.41 H new ATOM 0 HG21 ILE A 21 -10.339 2.192 -0.582 1.00 0.60 H new ATOM 0 HG22 ILE A 21 -12.059 2.590 -0.805 1.00 0.60 H new ATOM 0 HG23 ILE A 21 -11.198 1.643 -2.041 1.00 0.60 H new ATOM 0 HD11 ILE A 21 -7.602 4.671 -3.411 1.00 0.43 H new ATOM 0 HD12 ILE A 21 -9.175 5.430 -3.753 1.00 0.43 H new ATOM 0 HD13 ILE A 21 -8.477 5.527 -2.119 1.00 0.43 H new ATOM 299 N PRO A 22 -12.151 6.493 -2.532 1.00 0.52 N ATOM 300 CA PRO A 22 -11.916 7.913 -2.667 1.00 0.60 C ATOM 301 C PRO A 22 -10.448 8.199 -2.307 1.00 0.55 C ATOM 302 O PRO A 22 -9.940 7.704 -1.289 1.00 0.52 O ATOM 303 CB PRO A 22 -12.866 8.553 -1.637 1.00 0.74 C ATOM 304 CG PRO A 22 -13.765 7.453 -1.184 1.00 0.75 C ATOM 305 CD PRO A 22 -12.994 6.185 -1.369 1.00 0.63 C ATOM 0 HA PRO A 22 -12.093 8.297 -3.672 1.00 0.60 H new ATOM 0 HB2 PRO A 22 -12.310 8.975 -0.800 1.00 0.74 H new ATOM 0 HB3 PRO A 22 -13.437 9.367 -2.083 1.00 0.74 H new ATOM 0 HG2 PRO A 22 -14.050 7.587 -0.140 1.00 0.75 H new ATOM 0 HG3 PRO A 22 -14.686 7.438 -1.766 1.00 0.75 H new ATOM 0 HD2 PRO A 22 -12.399 5.940 -0.490 1.00 0.63 H new ATOM 0 HD3 PRO A 22 -13.650 5.335 -1.557 1.00 0.63 H new ATOM 313 N VAL A 23 -9.775 8.981 -3.119 1.00 0.62 N ATOM 314 CA VAL A 23 -8.358 9.234 -2.950 1.00 0.65 C ATOM 315 C VAL A 23 -8.053 10.029 -1.649 1.00 0.73 C ATOM 316 O VAL A 23 -6.946 9.963 -1.095 1.00 1.02 O ATOM 317 CB VAL A 23 -7.791 9.960 -4.194 1.00 0.78 C ATOM 318 CG1 VAL A 23 -8.350 11.371 -4.326 1.00 1.48 C ATOM 319 CG2 VAL A 23 -6.289 9.949 -4.191 1.00 1.35 C ATOM 0 H VAL A 23 -10.192 9.461 -3.916 1.00 0.62 H new ATOM 0 HA VAL A 23 -7.861 8.269 -2.850 1.00 0.65 H new ATOM 0 HB VAL A 23 -8.118 9.408 -5.075 1.00 0.78 H new ATOM 0 HG11 VAL A 23 -7.928 11.848 -5.211 1.00 1.48 H new ATOM 0 HG12 VAL A 23 -9.435 11.325 -4.421 1.00 1.48 H new ATOM 0 HG13 VAL A 23 -8.087 11.951 -3.441 1.00 1.48 H new ATOM 0 HG21 VAL A 23 -5.920 10.466 -5.077 1.00 1.35 H new ATOM 0 HG22 VAL A 23 -5.923 10.454 -3.297 1.00 1.35 H new ATOM 0 HG23 VAL A 23 -5.933 8.919 -4.197 1.00 1.35 H new ATOM 329 N GLU A 24 -9.049 10.720 -1.147 1.00 0.66 N ATOM 330 CA GLU A 24 -8.915 11.491 0.068 1.00 0.76 C ATOM 331 C GLU A 24 -9.339 10.680 1.287 1.00 0.69 C ATOM 332 O GLU A 24 -9.201 11.128 2.420 1.00 0.80 O ATOM 333 CB GLU A 24 -9.704 12.822 0.004 1.00 0.99 C ATOM 334 CG GLU A 24 -11.192 12.705 -0.329 1.00 1.22 C ATOM 335 CD GLU A 24 -11.471 12.480 -1.794 1.00 1.54 C ATOM 336 OE1 GLU A 24 -11.410 11.316 -2.252 1.00 1.89 O ATOM 337 OE2 GLU A 24 -11.741 13.440 -2.517 1.00 2.03 O ATOM 0 H GLU A 24 -9.976 10.764 -1.569 1.00 0.66 H new ATOM 0 HA GLU A 24 -7.858 11.738 0.167 1.00 0.76 H new ATOM 0 HB2 GLU A 24 -9.606 13.326 0.966 1.00 0.99 H new ATOM 0 HB3 GLU A 24 -9.235 13.464 -0.742 1.00 0.99 H new ATOM 0 HG2 GLU A 24 -11.619 11.882 0.244 1.00 1.22 H new ATOM 0 HG3 GLU A 24 -11.700 13.614 -0.007 1.00 1.22 H new ATOM 344 N ASP A 25 -9.832 9.482 1.054 1.00 0.60 N ATOM 345 CA ASP A 25 -10.280 8.625 2.146 1.00 0.64 C ATOM 346 C ASP A 25 -9.084 7.903 2.737 1.00 0.55 C ATOM 347 O ASP A 25 -8.995 7.687 3.953 1.00 0.58 O ATOM 348 CB ASP A 25 -11.305 7.615 1.637 1.00 0.72 C ATOM 349 CG ASP A 25 -11.933 6.774 2.742 1.00 0.90 C ATOM 350 OD1 ASP A 25 -12.946 7.209 3.350 1.00 1.07 O ATOM 351 OD2 ASP A 25 -11.470 5.659 3.001 1.00 0.98 O ATOM 0 H ASP A 25 -9.935 9.075 0.124 1.00 0.60 H new ATOM 0 HA ASP A 25 -10.751 9.236 2.916 1.00 0.64 H new ATOM 0 HB2 ASP A 25 -12.093 8.147 1.104 1.00 0.72 H new ATOM 0 HB3 ASP A 25 -10.824 6.953 0.917 1.00 0.72 H new ATOM 356 N VAL A 26 -8.139 7.588 1.868 1.00 0.51 N ATOM 357 CA VAL A 26 -6.928 6.876 2.239 1.00 0.47 C ATOM 358 C VAL A 26 -5.948 7.817 2.933 1.00 0.47 C ATOM 359 O VAL A 26 -5.200 8.561 2.288 1.00 0.51 O ATOM 360 CB VAL A 26 -6.253 6.227 0.999 1.00 0.51 C ATOM 361 CG1 VAL A 26 -5.051 5.380 1.409 1.00 0.73 C ATOM 362 CG2 VAL A 26 -7.253 5.379 0.239 1.00 0.70 C ATOM 0 H VAL A 26 -8.191 7.821 0.876 1.00 0.51 H new ATOM 0 HA VAL A 26 -7.209 6.081 2.930 1.00 0.47 H new ATOM 0 HB VAL A 26 -5.900 7.028 0.349 1.00 0.51 H new ATOM 0 HG11 VAL A 26 -4.598 4.938 0.522 1.00 0.73 H new ATOM 0 HG12 VAL A 26 -4.319 6.009 1.915 1.00 0.73 H new ATOM 0 HG13 VAL A 26 -5.377 4.588 2.083 1.00 0.73 H new ATOM 0 HG21 VAL A 26 -6.766 4.931 -0.627 1.00 0.70 H new ATOM 0 HG22 VAL A 26 -7.632 4.591 0.890 1.00 0.70 H new ATOM 0 HG23 VAL A 26 -8.082 6.004 -0.094 1.00 0.70 H new ATOM 372 N LYS A 27 -6.073 7.873 4.229 1.00 0.49 N ATOM 373 CA LYS A 27 -5.189 8.632 5.075 1.00 0.54 C ATOM 374 C LYS A 27 -4.396 7.656 5.933 1.00 0.47 C ATOM 375 O LYS A 27 -4.621 6.458 5.843 1.00 0.51 O ATOM 376 CB LYS A 27 -5.988 9.611 5.930 1.00 0.65 C ATOM 377 CG LYS A 27 -6.753 10.650 5.115 1.00 0.83 C ATOM 378 CD LYS A 27 -5.810 11.465 4.247 1.00 1.53 C ATOM 379 CE LYS A 27 -6.558 12.459 3.382 1.00 2.02 C ATOM 380 NZ LYS A 27 -5.640 13.206 2.506 1.00 2.83 N ATOM 0 H LYS A 27 -6.807 7.383 4.740 1.00 0.49 H new ATOM 0 HA LYS A 27 -4.498 9.222 4.474 1.00 0.54 H new ATOM 0 HB2 LYS A 27 -6.694 9.052 6.544 1.00 0.65 H new ATOM 0 HB3 LYS A 27 -5.309 10.124 6.611 1.00 0.65 H new ATOM 0 HG2 LYS A 27 -7.492 10.152 4.487 1.00 0.83 H new ATOM 0 HG3 LYS A 27 -7.299 11.313 5.786 1.00 0.83 H new ATOM 0 HD2 LYS A 27 -5.101 11.997 4.881 1.00 1.53 H new ATOM 0 HD3 LYS A 27 -5.230 10.795 3.612 1.00 1.53 H new ATOM 0 HE2 LYS A 27 -7.295 11.933 2.775 1.00 2.02 H new ATOM 0 HE3 LYS A 27 -7.106 13.156 4.016 1.00 2.02 H new ATOM 0 HZ1 LYS A 27 -6.183 13.878 1.927 1.00 2.83 H new ATOM 0 HZ2 LYS A 27 -4.952 13.726 3.087 1.00 2.83 H new ATOM 0 HZ3 LYS A 27 -5.136 12.542 1.884 1.00 2.83 H new ATOM 394 N LEU A 28 -3.519 8.145 6.785 1.00 0.49 N ATOM 395 CA LEU A 28 -2.603 7.266 7.536 1.00 0.47 C ATOM 396 C LEU A 28 -3.268 6.355 8.579 1.00 0.50 C ATOM 397 O LEU A 28 -2.673 5.356 9.009 1.00 0.56 O ATOM 398 CB LEU A 28 -1.405 8.026 8.132 1.00 0.54 C ATOM 399 CG LEU A 28 -0.287 8.443 7.150 1.00 0.53 C ATOM 400 CD1 LEU A 28 0.193 7.249 6.357 1.00 1.07 C ATOM 401 CD2 LEU A 28 -0.713 9.568 6.218 1.00 0.99 C ATOM 0 H LEU A 28 -3.410 9.139 6.985 1.00 0.49 H new ATOM 0 HA LEU A 28 -2.226 6.585 6.773 1.00 0.47 H new ATOM 0 HB2 LEU A 28 -1.782 8.925 8.620 1.00 0.54 H new ATOM 0 HB3 LEU A 28 -0.960 7.404 8.909 1.00 0.54 H new ATOM 0 HG LEU A 28 0.536 8.828 7.752 1.00 0.53 H new ATOM 0 HD11 LEU A 28 0.980 7.561 5.670 1.00 1.07 H new ATOM 0 HD12 LEU A 28 0.584 6.493 7.038 1.00 1.07 H new ATOM 0 HD13 LEU A 28 -0.639 6.831 5.790 1.00 1.07 H new ATOM 0 HD21 LEU A 28 0.111 9.820 5.551 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -1.572 9.247 5.629 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -0.984 10.445 6.806 1.00 0.99 H new ATOM 413 N ASP A 29 -4.485 6.659 8.959 1.00 0.56 N ATOM 414 CA ASP A 29 -5.212 5.835 9.934 1.00 0.65 C ATOM 415 C ASP A 29 -6.032 4.757 9.247 1.00 0.61 C ATOM 416 O ASP A 29 -6.874 4.109 9.866 1.00 1.03 O ATOM 417 CB ASP A 29 -6.107 6.683 10.863 1.00 0.87 C ATOM 418 CG ASP A 29 -7.195 7.480 10.162 1.00 1.73 C ATOM 419 OD1 ASP A 29 -6.922 8.575 9.649 1.00 2.34 O ATOM 420 OD2 ASP A 29 -8.335 6.967 10.046 1.00 2.47 O ATOM 0 H ASP A 29 -5.005 7.467 8.617 1.00 0.56 H new ATOM 0 HA ASP A 29 -4.458 5.352 10.555 1.00 0.65 H new ATOM 0 HB2 ASP A 29 -6.576 6.022 11.592 1.00 0.87 H new ATOM 0 HB3 ASP A 29 -5.474 7.374 11.420 1.00 0.87 H new ATOM 425 N LYS A 30 -5.762 4.545 7.981 1.00 0.43 N ATOM 426 CA LYS A 30 -6.456 3.542 7.214 1.00 0.39 C ATOM 427 C LYS A 30 -5.559 2.320 7.032 1.00 0.38 C ATOM 428 O LYS A 30 -4.335 2.439 6.927 1.00 0.57 O ATOM 429 CB LYS A 30 -6.838 4.096 5.832 1.00 0.44 C ATOM 430 CG LYS A 30 -7.598 5.420 5.865 1.00 0.51 C ATOM 431 CD LYS A 30 -9.006 5.313 6.419 1.00 0.75 C ATOM 432 CE LYS A 30 -9.924 4.570 5.470 1.00 0.98 C ATOM 433 NZ LYS A 30 -11.326 4.610 5.918 1.00 1.06 N ATOM 0 H LYS A 30 -5.057 5.062 7.456 1.00 0.43 H new ATOM 0 HA LYS A 30 -7.362 3.259 7.750 1.00 0.39 H new ATOM 0 HB2 LYS A 30 -5.929 4.228 5.245 1.00 0.44 H new ATOM 0 HB3 LYS A 30 -7.447 3.355 5.314 1.00 0.44 H new ATOM 0 HG2 LYS A 30 -7.036 6.134 6.467 1.00 0.51 H new ATOM 0 HG3 LYS A 30 -7.647 5.824 4.854 1.00 0.51 H new ATOM 0 HD2 LYS A 30 -8.981 4.799 7.380 1.00 0.75 H new ATOM 0 HD3 LYS A 30 -9.402 6.312 6.602 1.00 0.75 H new ATOM 0 HE2 LYS A 30 -9.848 5.008 4.475 1.00 0.98 H new ATOM 0 HE3 LYS A 30 -9.599 3.533 5.388 1.00 0.98 H new ATOM 0 HZ1 LYS A 30 -11.735 3.655 5.864 1.00 1.06 H new ATOM 0 HZ2 LYS A 30 -11.367 4.949 6.900 1.00 1.06 H new ATOM 0 HZ3 LYS A 30 -11.868 5.254 5.306 1.00 1.06 H new ATOM 447 N SER A 31 -6.156 1.181 7.066 1.00 0.46 N ATOM 448 CA SER A 31 -5.525 -0.063 6.774 1.00 0.44 C ATOM 449 C SER A 31 -6.167 -0.604 5.504 1.00 0.45 C ATOM 450 O SER A 31 -7.328 -0.258 5.216 1.00 0.57 O ATOM 451 CB SER A 31 -5.696 -0.991 7.962 1.00 0.49 C ATOM 452 OG SER A 31 -7.041 -0.986 8.418 1.00 1.31 O ATOM 0 H SER A 31 -7.142 1.084 7.309 1.00 0.46 H new ATOM 0 HA SER A 31 -4.453 0.040 6.605 1.00 0.44 H new ATOM 0 HB2 SER A 31 -5.406 -2.004 7.682 1.00 0.49 H new ATOM 0 HB3 SER A 31 -5.033 -0.681 8.769 1.00 0.49 H new ATOM 0 HG SER A 31 -7.187 -0.210 8.999 1.00 1.31 H new ATOM 458 N PHE A 32 -5.475 -1.465 4.782 1.00 0.41 N ATOM 459 CA PHE A 32 -5.899 -1.834 3.436 1.00 0.46 C ATOM 460 C PHE A 32 -7.146 -2.685 3.391 1.00 0.55 C ATOM 461 O PHE A 32 -7.982 -2.501 2.512 1.00 1.03 O ATOM 462 CB PHE A 32 -4.767 -2.490 2.662 1.00 0.51 C ATOM 463 CG PHE A 32 -3.609 -1.572 2.380 1.00 0.50 C ATOM 464 CD1 PHE A 32 -2.568 -1.451 3.290 1.00 0.52 C ATOM 465 CD2 PHE A 32 -3.564 -0.819 1.217 1.00 0.55 C ATOM 466 CE1 PHE A 32 -1.510 -0.602 3.046 1.00 0.58 C ATOM 467 CE2 PHE A 32 -2.508 0.028 0.966 1.00 0.59 C ATOM 468 CZ PHE A 32 -1.461 0.103 1.839 1.00 0.60 C ATOM 0 H PHE A 32 -4.620 -1.923 5.099 1.00 0.41 H new ATOM 0 HA PHE A 32 -6.164 -0.895 2.950 1.00 0.46 H new ATOM 0 HB2 PHE A 32 -4.407 -3.351 3.225 1.00 0.51 H new ATOM 0 HB3 PHE A 32 -5.157 -2.867 1.717 1.00 0.51 H new ATOM 0 HD1 PHE A 32 -2.587 -2.030 4.202 1.00 0.52 H new ATOM 0 HD2 PHE A 32 -4.367 -0.898 0.499 1.00 0.55 H new ATOM 0 HE1 PHE A 32 -0.726 -0.482 3.780 1.00 0.58 H new ATOM 0 HE2 PHE A 32 -2.508 0.636 0.074 1.00 0.59 H new ATOM 0 HZ PHE A 32 -0.597 0.705 1.598 1.00 0.60 H new ATOM 478 N THR A 33 -7.311 -3.561 4.329 1.00 0.47 N ATOM 479 CA THR A 33 -8.431 -4.436 4.280 1.00 0.50 C ATOM 480 C THR A 33 -9.300 -4.324 5.538 1.00 0.60 C ATOM 481 O THR A 33 -10.251 -5.101 5.749 1.00 1.13 O ATOM 482 CB THR A 33 -7.979 -5.899 3.967 1.00 0.65 C ATOM 483 OG1 THR A 33 -9.095 -6.801 3.810 1.00 1.37 O ATOM 484 CG2 THR A 33 -7.024 -6.434 5.029 1.00 1.21 C ATOM 0 H THR A 33 -6.691 -3.687 5.129 1.00 0.47 H new ATOM 0 HA THR A 33 -9.073 -4.124 3.456 1.00 0.50 H new ATOM 0 HB THR A 33 -7.452 -5.851 3.014 1.00 0.65 H new ATOM 0 HG1 THR A 33 -9.837 -6.505 4.378 1.00 1.37 H new ATOM 0 HG21 THR A 33 -6.733 -7.453 4.776 1.00 1.21 H new ATOM 0 HG22 THR A 33 -6.136 -5.803 5.071 1.00 1.21 H new ATOM 0 HG23 THR A 33 -7.520 -6.429 6.000 1.00 1.21 H new ATOM 492 N ASP A 34 -9.043 -3.325 6.337 1.00 0.55 N ATOM 493 CA ASP A 34 -9.863 -3.130 7.505 1.00 0.60 C ATOM 494 C ASP A 34 -10.590 -1.816 7.453 1.00 0.58 C ATOM 495 O ASP A 34 -11.799 -1.769 7.629 1.00 0.75 O ATOM 496 CB ASP A 34 -9.089 -3.287 8.805 1.00 0.72 C ATOM 497 CG ASP A 34 -9.998 -3.212 10.007 1.00 1.46 C ATOM 498 OD1 ASP A 34 -10.839 -4.112 10.204 1.00 1.58 O ATOM 499 OD2 ASP A 34 -9.876 -2.231 10.789 1.00 2.31 O ATOM 0 H ASP A 34 -8.292 -2.647 6.208 1.00 0.55 H new ATOM 0 HA ASP A 34 -10.607 -3.926 7.494 1.00 0.60 H new ATOM 0 HB2 ASP A 34 -8.565 -4.243 8.804 1.00 0.72 H new ATOM 0 HB3 ASP A 34 -8.330 -2.508 8.873 1.00 0.72 H new ATOM 504 N ASP A 35 -9.868 -0.748 7.193 1.00 0.48 N ATOM 505 CA ASP A 35 -10.505 0.571 7.084 1.00 0.50 C ATOM 506 C ASP A 35 -10.919 0.837 5.674 1.00 0.56 C ATOM 507 O ASP A 35 -11.746 1.708 5.415 1.00 0.86 O ATOM 508 CB ASP A 35 -9.600 1.705 7.528 1.00 0.47 C ATOM 509 CG ASP A 35 -9.171 1.620 8.959 1.00 0.99 C ATOM 510 OD1 ASP A 35 -9.982 1.908 9.864 1.00 1.67 O ATOM 511 OD2 ASP A 35 -8.023 1.256 9.208 1.00 1.47 O ATOM 0 H ASP A 35 -8.858 -0.752 7.053 1.00 0.48 H new ATOM 0 HA ASP A 35 -11.370 0.539 7.747 1.00 0.50 H new ATOM 0 HB2 ASP A 35 -8.713 1.717 6.894 1.00 0.47 H new ATOM 0 HB3 ASP A 35 -10.117 2.651 7.371 1.00 0.47 H new ATOM 516 N LEU A 36 -10.306 0.137 4.756 1.00 0.44 N ATOM 517 CA LEU A 36 -10.641 0.279 3.375 1.00 0.49 C ATOM 518 C LEU A 36 -11.568 -0.841 2.973 1.00 0.53 C ATOM 519 O LEU A 36 -11.764 -1.792 3.733 1.00 0.64 O ATOM 520 CB LEU A 36 -9.383 0.300 2.505 1.00 0.51 C ATOM 521 CG LEU A 36 -8.442 1.487 2.711 1.00 0.59 C ATOM 522 CD1 LEU A 36 -7.216 1.357 1.821 1.00 0.65 C ATOM 523 CD2 LEU A 36 -9.169 2.779 2.409 1.00 0.69 C ATOM 0 H LEU A 36 -9.568 -0.540 4.948 1.00 0.44 H new ATOM 0 HA LEU A 36 -11.150 1.231 3.224 1.00 0.49 H new ATOM 0 HB2 LEU A 36 -8.823 -0.617 2.689 1.00 0.51 H new ATOM 0 HB3 LEU A 36 -9.689 0.282 1.459 1.00 0.51 H new ATOM 0 HG LEU A 36 -8.114 1.496 3.751 1.00 0.59 H new ATOM 0 HD11 LEU A 36 -6.558 2.211 1.981 1.00 0.65 H new ATOM 0 HD12 LEU A 36 -6.684 0.438 2.066 1.00 0.65 H new ATOM 0 HD13 LEU A 36 -7.526 1.329 0.776 1.00 0.65 H new ATOM 0 HD21 LEU A 36 -8.492 3.621 2.558 1.00 0.69 H new ATOM 0 HD22 LEU A 36 -9.514 2.769 1.375 1.00 0.69 H new ATOM 0 HD23 LEU A 36 -10.025 2.879 3.076 1.00 0.69 H new ATOM 535 N ASP A 37 -12.103 -0.755 1.781 1.00 0.63 N ATOM 536 CA ASP A 37 -13.087 -1.737 1.308 1.00 0.76 C ATOM 537 C ASP A 37 -12.394 -2.753 0.418 1.00 0.78 C ATOM 538 O ASP A 37 -13.008 -3.584 -0.244 1.00 1.33 O ATOM 539 CB ASP A 37 -14.223 -1.019 0.552 1.00 1.14 C ATOM 540 CG ASP A 37 -15.369 -1.937 0.161 1.00 1.49 C ATOM 541 OD1 ASP A 37 -16.127 -2.393 1.048 1.00 2.15 O ATOM 542 OD2 ASP A 37 -15.517 -2.251 -1.038 1.00 1.96 O ATOM 0 H ASP A 37 -11.883 -0.020 1.109 1.00 0.63 H new ATOM 0 HA ASP A 37 -13.526 -2.261 2.157 1.00 0.76 H new ATOM 0 HB2 ASP A 37 -14.611 -0.213 1.176 1.00 1.14 H new ATOM 0 HB3 ASP A 37 -13.815 -0.558 -0.347 1.00 1.14 H new ATOM 547 N VAL A 38 -11.105 -2.704 0.461 1.00 0.65 N ATOM 548 CA VAL A 38 -10.266 -3.524 -0.354 1.00 0.96 C ATOM 549 C VAL A 38 -10.075 -4.848 0.327 1.00 0.89 C ATOM 550 O VAL A 38 -9.545 -4.907 1.432 1.00 1.43 O ATOM 551 CB VAL A 38 -8.887 -2.859 -0.517 1.00 1.60 C ATOM 552 CG1 VAL A 38 -8.017 -3.607 -1.521 1.00 2.23 C ATOM 553 CG2 VAL A 38 -9.047 -1.413 -0.907 1.00 2.14 C ATOM 0 H VAL A 38 -10.590 -2.077 1.079 1.00 0.65 H new ATOM 0 HA VAL A 38 -10.730 -3.656 -1.332 1.00 0.96 H new ATOM 0 HB VAL A 38 -8.376 -2.903 0.445 1.00 1.60 H new ATOM 0 HG11 VAL A 38 -7.052 -3.108 -1.609 1.00 2.23 H new ATOM 0 HG12 VAL A 38 -7.866 -4.631 -1.180 1.00 2.23 H new ATOM 0 HG13 VAL A 38 -8.510 -3.617 -2.493 1.00 2.23 H new ATOM 0 HG21 VAL A 38 -8.064 -0.955 -1.019 1.00 2.14 H new ATOM 0 HG22 VAL A 38 -9.587 -1.349 -1.852 1.00 2.14 H new ATOM 0 HG23 VAL A 38 -9.606 -0.887 -0.133 1.00 2.14 H new ATOM 563 N ASP A 39 -10.590 -5.888 -0.272 1.00 0.82 N ATOM 564 CA ASP A 39 -10.353 -7.223 0.237 1.00 1.15 C ATOM 565 C ASP A 39 -8.873 -7.485 0.171 1.00 1.18 C ATOM 566 O ASP A 39 -8.201 -7.032 -0.756 1.00 2.04 O ATOM 567 CB ASP A 39 -11.104 -8.283 -0.567 1.00 1.60 C ATOM 568 CG ASP A 39 -12.593 -8.109 -0.520 1.00 2.37 C ATOM 569 OD1 ASP A 39 -13.218 -8.501 0.481 1.00 2.78 O ATOM 570 OD2 ASP A 39 -13.164 -7.551 -1.470 1.00 2.96 O ATOM 0 H ASP A 39 -11.173 -5.844 -1.108 1.00 0.82 H new ATOM 0 HA ASP A 39 -10.718 -7.283 1.262 1.00 1.15 H new ATOM 0 HB2 ASP A 39 -10.772 -8.247 -1.605 1.00 1.60 H new ATOM 0 HB3 ASP A 39 -10.847 -9.271 -0.185 1.00 1.60 H new ATOM 575 N SER A 40 -8.363 -8.185 1.120 1.00 0.85 N ATOM 576 CA SER A 40 -6.950 -8.415 1.211 1.00 0.86 C ATOM 577 C SER A 40 -6.407 -9.190 0.025 1.00 0.74 C ATOM 578 O SER A 40 -5.356 -8.857 -0.517 1.00 0.81 O ATOM 579 CB SER A 40 -6.664 -9.097 2.490 1.00 1.19 C ATOM 580 OG SER A 40 -7.516 -10.253 2.623 1.00 1.18 O ATOM 0 H SER A 40 -8.909 -8.620 1.863 1.00 0.85 H new ATOM 0 HA SER A 40 -6.437 -7.454 1.187 1.00 0.86 H new ATOM 0 HB2 SER A 40 -5.617 -9.398 2.527 1.00 1.19 H new ATOM 0 HB3 SER A 40 -6.829 -8.414 3.323 1.00 1.19 H new ATOM 0 HG SER A 40 -7.324 -10.705 3.471 1.00 1.18 H new ATOM 585 N LEU A 41 -7.153 -10.178 -0.423 1.00 0.71 N ATOM 586 CA LEU A 41 -6.743 -10.946 -1.580 1.00 0.70 C ATOM 587 C LEU A 41 -6.739 -10.047 -2.845 1.00 0.65 C ATOM 588 O LEU A 41 -6.069 -10.331 -3.844 1.00 0.71 O ATOM 589 CB LEU A 41 -7.609 -12.206 -1.797 1.00 0.83 C ATOM 590 CG LEU A 41 -7.442 -13.355 -0.775 1.00 1.01 C ATOM 591 CD1 LEU A 41 -8.051 -13.026 0.580 1.00 1.29 C ATOM 592 CD2 LEU A 41 -8.006 -14.650 -1.324 1.00 1.34 C ATOM 0 H LEU A 41 -8.039 -10.467 -0.008 1.00 0.71 H new ATOM 0 HA LEU A 41 -5.729 -11.300 -1.391 1.00 0.70 H new ATOM 0 HB2 LEU A 41 -8.656 -11.902 -1.798 1.00 0.83 H new ATOM 0 HB3 LEU A 41 -7.391 -12.601 -2.789 1.00 0.83 H new ATOM 0 HG LEU A 41 -6.371 -13.482 -0.614 1.00 1.01 H new ATOM 0 HD11 LEU A 41 -7.905 -13.867 1.258 1.00 1.29 H new ATOM 0 HD12 LEU A 41 -7.567 -12.140 0.991 1.00 1.29 H new ATOM 0 HD13 LEU A 41 -9.118 -12.835 0.463 1.00 1.29 H new ATOM 0 HD21 LEU A 41 -7.877 -15.444 -0.588 1.00 1.34 H new ATOM 0 HD22 LEU A 41 -9.067 -14.523 -1.539 1.00 1.34 H new ATOM 0 HD23 LEU A 41 -7.480 -14.916 -2.241 1.00 1.34 H new ATOM 604 N SER A 42 -7.462 -8.944 -2.764 1.00 0.65 N ATOM 605 CA SER A 42 -7.520 -7.961 -3.814 1.00 0.66 C ATOM 606 C SER A 42 -6.336 -6.993 -3.708 1.00 0.50 C ATOM 607 O SER A 42 -5.825 -6.514 -4.715 1.00 0.47 O ATOM 608 CB SER A 42 -8.821 -7.202 -3.713 1.00 0.84 C ATOM 609 OG SER A 42 -9.930 -8.079 -3.810 1.00 1.26 O ATOM 0 H SER A 42 -8.032 -8.709 -1.951 1.00 0.65 H new ATOM 0 HA SER A 42 -7.465 -8.464 -4.779 1.00 0.66 H new ATOM 0 HB2 SER A 42 -8.860 -6.664 -2.766 1.00 0.84 H new ATOM 0 HB3 SER A 42 -8.873 -6.455 -4.505 1.00 0.84 H new ATOM 0 HG SER A 42 -10.761 -7.564 -3.740 1.00 1.26 H new ATOM 615 N MET A 43 -5.873 -6.726 -2.483 1.00 0.45 N ATOM 616 CA MET A 43 -4.717 -5.846 -2.272 1.00 0.35 C ATOM 617 C MET A 43 -3.466 -6.490 -2.854 1.00 0.30 C ATOM 618 O MET A 43 -2.473 -5.824 -3.127 1.00 0.27 O ATOM 619 CB MET A 43 -4.464 -5.507 -0.809 1.00 0.39 C ATOM 620 CG MET A 43 -3.456 -4.365 -0.662 1.00 0.47 C ATOM 621 SD MET A 43 -2.511 -4.400 0.854 1.00 0.97 S ATOM 622 CE MET A 43 -1.547 -5.881 0.612 1.00 0.54 C ATOM 0 H MET A 43 -6.277 -7.104 -1.626 1.00 0.45 H new ATOM 0 HA MET A 43 -4.951 -4.911 -2.780 1.00 0.35 H new ATOM 0 HB2 MET A 43 -5.403 -5.228 -0.332 1.00 0.39 H new ATOM 0 HB3 MET A 43 -4.093 -6.390 -0.289 1.00 0.39 H new ATOM 0 HG2 MET A 43 -2.766 -4.395 -1.506 1.00 0.47 H new ATOM 0 HG3 MET A 43 -3.990 -3.416 -0.721 1.00 0.47 H new ATOM 0 HE1 MET A 43 -1.741 -6.578 1.427 1.00 0.54 H new ATOM 0 HE2 MET A 43 -1.823 -6.344 -0.335 1.00 0.54 H new ATOM 0 HE3 MET A 43 -0.487 -5.627 0.596 1.00 0.54 H new ATOM 632 N VAL A 44 -3.510 -7.793 -3.019 1.00 0.36 N ATOM 633 CA VAL A 44 -2.417 -8.525 -3.647 1.00 0.39 C ATOM 634 C VAL A 44 -2.185 -8.012 -5.095 1.00 0.37 C ATOM 635 O VAL A 44 -1.100 -8.088 -5.615 1.00 0.42 O ATOM 636 CB VAL A 44 -2.643 -10.068 -3.635 1.00 0.54 C ATOM 637 CG1 VAL A 44 -1.422 -10.820 -4.161 1.00 0.65 C ATOM 638 CG2 VAL A 44 -3.003 -10.552 -2.242 1.00 0.57 C ATOM 0 H VAL A 44 -4.294 -8.377 -2.727 1.00 0.36 H new ATOM 0 HA VAL A 44 -1.522 -8.336 -3.054 1.00 0.39 H new ATOM 0 HB VAL A 44 -3.478 -10.279 -4.303 1.00 0.54 H new ATOM 0 HG11 VAL A 44 -1.617 -11.892 -4.137 1.00 0.65 H new ATOM 0 HG12 VAL A 44 -1.218 -10.511 -5.186 1.00 0.65 H new ATOM 0 HG13 VAL A 44 -0.558 -10.595 -3.535 1.00 0.65 H new ATOM 0 HG21 VAL A 44 -3.156 -11.631 -2.260 1.00 0.57 H new ATOM 0 HG22 VAL A 44 -2.194 -10.311 -1.553 1.00 0.57 H new ATOM 0 HG23 VAL A 44 -3.919 -10.062 -1.912 1.00 0.57 H new ATOM 648 N GLU A 45 -3.212 -7.418 -5.695 1.00 0.37 N ATOM 649 CA GLU A 45 -3.083 -6.825 -7.026 1.00 0.38 C ATOM 650 C GLU A 45 -2.428 -5.446 -6.905 1.00 0.31 C ATOM 651 O GLU A 45 -1.826 -4.928 -7.845 1.00 0.37 O ATOM 652 CB GLU A 45 -4.459 -6.654 -7.655 1.00 0.46 C ATOM 653 CG GLU A 45 -5.255 -7.932 -7.791 1.00 0.64 C ATOM 654 CD GLU A 45 -4.596 -8.937 -8.677 1.00 1.21 C ATOM 655 OE1 GLU A 45 -4.369 -8.640 -9.857 1.00 1.31 O ATOM 656 OE2 GLU A 45 -4.239 -10.022 -8.191 1.00 2.06 O ATOM 0 H GLU A 45 -4.142 -7.333 -5.284 1.00 0.37 H new ATOM 0 HA GLU A 45 -2.474 -7.481 -7.648 1.00 0.38 H new ATOM 0 HB2 GLU A 45 -5.032 -5.947 -7.055 1.00 0.46 H new ATOM 0 HB3 GLU A 45 -4.339 -6.210 -8.643 1.00 0.46 H new ATOM 0 HG2 GLU A 45 -5.403 -8.368 -6.803 1.00 0.64 H new ATOM 0 HG3 GLU A 45 -6.243 -7.698 -8.188 1.00 0.64 H new ATOM 663 N VAL A 46 -2.549 -4.879 -5.726 1.00 0.30 N ATOM 664 CA VAL A 46 -2.042 -3.559 -5.423 1.00 0.30 C ATOM 665 C VAL A 46 -0.554 -3.637 -5.137 1.00 0.29 C ATOM 666 O VAL A 46 0.217 -2.894 -5.711 1.00 0.39 O ATOM 667 CB VAL A 46 -2.787 -2.941 -4.196 1.00 0.51 C ATOM 668 CG1 VAL A 46 -2.237 -1.562 -3.837 1.00 0.91 C ATOM 669 CG2 VAL A 46 -4.287 -2.856 -4.461 1.00 1.43 C ATOM 0 H VAL A 46 -3.011 -5.330 -4.936 1.00 0.30 H new ATOM 0 HA VAL A 46 -2.215 -2.916 -6.286 1.00 0.30 H new ATOM 0 HB VAL A 46 -2.615 -3.602 -3.346 1.00 0.51 H new ATOM 0 HG11 VAL A 46 -2.780 -1.165 -2.979 1.00 0.91 H new ATOM 0 HG12 VAL A 46 -1.179 -1.646 -3.589 1.00 0.91 H new ATOM 0 HG13 VAL A 46 -2.359 -0.889 -4.686 1.00 0.91 H new ATOM 0 HG21 VAL A 46 -4.786 -2.423 -3.594 1.00 1.43 H new ATOM 0 HG22 VAL A 46 -4.467 -2.229 -5.334 1.00 1.43 H new ATOM 0 HG23 VAL A 46 -4.681 -3.855 -4.645 1.00 1.43 H new ATOM 679 N VAL A 47 -0.168 -4.552 -4.247 1.00 0.28 N ATOM 680 CA VAL A 47 1.245 -4.716 -3.841 1.00 0.33 C ATOM 681 C VAL A 47 2.229 -4.818 -5.034 1.00 0.31 C ATOM 682 O VAL A 47 3.220 -4.085 -5.071 1.00 0.35 O ATOM 683 CB VAL A 47 1.460 -5.898 -2.833 1.00 0.41 C ATOM 684 CG1 VAL A 47 0.873 -7.198 -3.335 1.00 0.39 C ATOM 685 CG2 VAL A 47 2.936 -6.086 -2.562 1.00 0.53 C ATOM 0 H VAL A 47 -0.810 -5.197 -3.787 1.00 0.28 H new ATOM 0 HA VAL A 47 1.484 -3.791 -3.317 1.00 0.33 H new ATOM 0 HB VAL A 47 0.939 -5.632 -1.913 1.00 0.41 H new ATOM 0 HG11 VAL A 47 1.049 -7.984 -2.601 1.00 0.39 H new ATOM 0 HG12 VAL A 47 -0.199 -7.078 -3.488 1.00 0.39 H new ATOM 0 HG13 VAL A 47 1.346 -7.471 -4.278 1.00 0.39 H new ATOM 0 HG21 VAL A 47 3.075 -6.909 -1.861 1.00 0.53 H new ATOM 0 HG22 VAL A 47 3.451 -6.313 -3.495 1.00 0.53 H new ATOM 0 HG23 VAL A 47 3.347 -5.171 -2.134 1.00 0.53 H new ATOM 695 N VAL A 48 1.936 -5.694 -6.001 1.00 0.29 N ATOM 696 CA VAL A 48 2.810 -5.888 -7.186 1.00 0.31 C ATOM 697 C VAL A 48 2.975 -4.560 -7.871 1.00 0.29 C ATOM 698 O VAL A 48 4.096 -4.105 -8.163 1.00 0.35 O ATOM 699 CB VAL A 48 2.158 -6.776 -8.251 1.00 0.37 C ATOM 700 CG1 VAL A 48 3.168 -7.585 -9.041 1.00 0.61 C ATOM 701 CG2 VAL A 48 1.033 -7.596 -7.739 1.00 0.65 C ATOM 0 H VAL A 48 1.104 -6.284 -5.996 1.00 0.29 H new ATOM 0 HA VAL A 48 3.737 -6.333 -6.824 1.00 0.31 H new ATOM 0 HB VAL A 48 1.703 -6.084 -8.960 1.00 0.37 H new ATOM 0 HG11 VAL A 48 2.648 -8.194 -9.780 1.00 0.61 H new ATOM 0 HG12 VAL A 48 3.858 -6.910 -9.548 1.00 0.61 H new ATOM 0 HG13 VAL A 48 3.725 -8.233 -8.364 1.00 0.61 H new ATOM 0 HG21 VAL A 48 0.623 -8.198 -8.550 1.00 0.65 H new ATOM 0 HG22 VAL A 48 1.392 -8.252 -6.946 1.00 0.65 H new ATOM 0 HG23 VAL A 48 0.256 -6.942 -7.344 1.00 0.65 H new ATOM 711 N ALA A 49 1.830 -3.945 -8.118 1.00 0.28 N ATOM 712 CA ALA A 49 1.750 -2.712 -8.823 1.00 0.28 C ATOM 713 C ALA A 49 2.449 -1.579 -8.054 1.00 0.27 C ATOM 714 O ALA A 49 2.972 -0.640 -8.636 1.00 0.32 O ATOM 715 CB ALA A 49 0.302 -2.362 -9.108 1.00 0.32 C ATOM 0 H ALA A 49 0.924 -4.309 -7.822 1.00 0.28 H new ATOM 0 HA ALA A 49 2.272 -2.831 -9.773 1.00 0.28 H new ATOM 0 HB1 ALA A 49 0.256 -1.416 -9.648 1.00 0.32 H new ATOM 0 HB2 ALA A 49 -0.150 -3.148 -9.713 1.00 0.32 H new ATOM 0 HB3 ALA A 49 -0.242 -2.270 -8.168 1.00 0.32 H new ATOM 721 N ALA A 50 2.460 -1.688 -6.751 1.00 0.27 N ATOM 722 CA ALA A 50 3.084 -0.701 -5.905 1.00 0.30 C ATOM 723 C ALA A 50 4.595 -0.781 -5.988 1.00 0.29 C ATOM 724 O ALA A 50 5.264 0.255 -6.036 1.00 0.32 O ATOM 725 CB ALA A 50 2.601 -0.827 -4.465 1.00 0.36 C ATOM 0 H ALA A 50 2.036 -2.465 -6.244 1.00 0.27 H new ATOM 0 HA ALA A 50 2.787 0.283 -6.269 1.00 0.30 H new ATOM 0 HB1 ALA A 50 3.088 -0.070 -3.850 1.00 0.36 H new ATOM 0 HB2 ALA A 50 1.521 -0.683 -4.430 1.00 0.36 H new ATOM 0 HB3 ALA A 50 2.848 -1.818 -4.084 1.00 0.36 H new ATOM 731 N GLU A 51 5.129 -2.002 -6.045 1.00 0.32 N ATOM 732 CA GLU A 51 6.574 -2.208 -6.135 1.00 0.39 C ATOM 733 C GLU A 51 7.144 -1.441 -7.320 1.00 0.39 C ATOM 734 O GLU A 51 8.099 -0.689 -7.181 1.00 0.47 O ATOM 735 CB GLU A 51 6.923 -3.685 -6.293 1.00 0.49 C ATOM 736 CG GLU A 51 6.433 -4.584 -5.185 1.00 0.36 C ATOM 737 CD GLU A 51 6.893 -6.007 -5.372 1.00 0.44 C ATOM 738 OE1 GLU A 51 6.414 -6.688 -6.308 1.00 0.70 O ATOM 739 OE2 GLU A 51 7.733 -6.489 -4.577 1.00 0.78 O ATOM 0 H GLU A 51 4.582 -2.863 -6.030 1.00 0.32 H new ATOM 0 HA GLU A 51 7.010 -1.842 -5.206 1.00 0.39 H new ATOM 0 HB2 GLU A 51 6.510 -4.040 -7.237 1.00 0.49 H new ATOM 0 HB3 GLU A 51 8.007 -3.780 -6.364 1.00 0.49 H new ATOM 0 HG2 GLU A 51 6.793 -4.209 -4.227 1.00 0.36 H new ATOM 0 HG3 GLU A 51 5.344 -4.556 -5.149 1.00 0.36 H new ATOM 746 N GLU A 52 6.507 -1.586 -8.461 1.00 0.36 N ATOM 747 CA GLU A 52 6.969 -0.936 -9.669 1.00 0.41 C ATOM 748 C GLU A 52 6.779 0.585 -9.628 1.00 0.38 C ATOM 749 O GLU A 52 7.696 1.324 -9.972 1.00 0.47 O ATOM 750 CB GLU A 52 6.316 -1.535 -10.910 1.00 0.49 C ATOM 751 CG GLU A 52 4.804 -1.512 -10.886 1.00 0.53 C ATOM 752 CD GLU A 52 4.195 -2.098 -12.119 1.00 0.73 C ATOM 753 OE1 GLU A 52 4.585 -3.220 -12.513 1.00 0.96 O ATOM 754 OE2 GLU A 52 3.306 -1.463 -12.715 1.00 0.94 O ATOM 0 H GLU A 52 5.665 -2.150 -8.578 1.00 0.36 H new ATOM 0 HA GLU A 52 8.042 -1.121 -9.727 1.00 0.41 H new ATOM 0 HB2 GLU A 52 6.663 -0.990 -11.788 1.00 0.49 H new ATOM 0 HB3 GLU A 52 6.651 -2.566 -11.022 1.00 0.49 H new ATOM 0 HG2 GLU A 52 4.451 -2.064 -10.015 1.00 0.53 H new ATOM 0 HG3 GLU A 52 4.463 -0.483 -10.772 1.00 0.53 H new ATOM 761 N ARG A 53 5.620 1.053 -9.162 1.00 0.32 N ATOM 762 CA ARG A 53 5.339 2.488 -9.174 1.00 0.36 C ATOM 763 C ARG A 53 6.239 3.254 -8.216 1.00 0.35 C ATOM 764 O ARG A 53 6.707 4.341 -8.545 1.00 0.48 O ATOM 765 CB ARG A 53 3.854 2.806 -8.903 1.00 0.46 C ATOM 766 CG ARG A 53 2.896 2.186 -9.911 1.00 1.11 C ATOM 767 CD ARG A 53 1.470 2.700 -9.746 1.00 1.21 C ATOM 768 NE ARG A 53 0.517 1.962 -10.601 1.00 2.17 N ATOM 769 CZ ARG A 53 -0.737 2.342 -10.896 1.00 2.78 C ATOM 770 NH1 ARG A 53 -1.178 3.563 -10.570 1.00 2.79 N ATOM 771 NH2 ARG A 53 -1.542 1.494 -11.551 1.00 3.85 N ATOM 0 H ARG A 53 4.874 0.472 -8.779 1.00 0.32 H new ATOM 0 HA ARG A 53 5.562 2.826 -10.186 1.00 0.36 H new ATOM 0 HB2 ARG A 53 3.594 2.454 -7.905 1.00 0.46 H new ATOM 0 HB3 ARG A 53 3.718 3.887 -8.905 1.00 0.46 H new ATOM 0 HG2 ARG A 53 3.244 2.404 -10.921 1.00 1.11 H new ATOM 0 HG3 ARG A 53 2.904 1.102 -9.798 1.00 1.11 H new ATOM 0 HD2 ARG A 53 1.169 2.607 -8.703 1.00 1.21 H new ATOM 0 HD3 ARG A 53 1.435 3.761 -9.995 1.00 1.21 H new ATOM 0 HE ARG A 53 0.841 1.083 -11.004 1.00 2.17 H new ATOM 0 HH11 ARG A 53 -0.559 4.218 -10.092 1.00 2.79 H new ATOM 0 HH12 ARG A 53 -2.133 3.839 -10.800 1.00 2.79 H new ATOM 0 HH21 ARG A 53 -1.200 0.571 -11.820 1.00 3.85 H new ATOM 0 HH22 ARG A 53 -2.496 1.771 -11.781 1.00 3.85 H new ATOM 785 N PHE A 54 6.523 2.672 -7.062 1.00 0.29 N ATOM 786 CA PHE A 54 7.339 3.357 -6.058 1.00 0.30 C ATOM 787 C PHE A 54 8.803 2.972 -6.150 1.00 0.33 C ATOM 788 O PHE A 54 9.616 3.446 -5.352 1.00 0.40 O ATOM 789 CB PHE A 54 6.834 3.069 -4.652 1.00 0.31 C ATOM 790 CG PHE A 54 5.418 3.459 -4.453 1.00 0.30 C ATOM 791 CD1 PHE A 54 5.034 4.770 -4.582 1.00 0.35 C ATOM 792 CD2 PHE A 54 4.469 2.514 -4.130 1.00 0.35 C ATOM 793 CE1 PHE A 54 3.735 5.140 -4.394 1.00 0.39 C ATOM 794 CE2 PHE A 54 3.165 2.876 -3.940 1.00 0.38 C ATOM 795 CZ PHE A 54 2.789 4.166 -4.093 1.00 0.37 C ATOM 0 H PHE A 54 6.208 1.740 -6.794 1.00 0.29 H new ATOM 0 HA PHE A 54 7.250 4.423 -6.266 1.00 0.30 H new ATOM 0 HB2 PHE A 54 6.945 2.005 -4.443 1.00 0.31 H new ATOM 0 HB3 PHE A 54 7.456 3.601 -3.932 1.00 0.31 H new ATOM 0 HD1 PHE A 54 5.770 5.519 -4.836 1.00 0.35 H new ATOM 0 HD2 PHE A 54 4.758 1.479 -4.026 1.00 0.35 H new ATOM 0 HE1 PHE A 54 3.444 6.177 -4.478 1.00 0.39 H new ATOM 0 HE2 PHE A 54 2.433 2.130 -3.667 1.00 0.38 H new ATOM 0 HZ PHE A 54 1.751 4.441 -3.981 1.00 0.37 H new ATOM 805 N ASP A 55 9.129 2.096 -7.116 1.00 0.36 N ATOM 806 CA ASP A 55 10.515 1.606 -7.334 1.00 0.44 C ATOM 807 C ASP A 55 11.025 0.866 -6.104 1.00 0.46 C ATOM 808 O ASP A 55 12.224 0.895 -5.776 1.00 0.77 O ATOM 809 CB ASP A 55 11.473 2.758 -7.688 1.00 0.53 C ATOM 810 CG ASP A 55 11.251 3.341 -9.061 1.00 1.14 C ATOM 811 OD1 ASP A 55 11.564 2.662 -10.060 1.00 1.23 O ATOM 812 OD2 ASP A 55 10.808 4.496 -9.172 1.00 1.95 O ATOM 0 H ASP A 55 8.449 1.705 -7.768 1.00 0.36 H new ATOM 0 HA ASP A 55 10.487 0.916 -8.177 1.00 0.44 H new ATOM 0 HB2 ASP A 55 11.363 3.549 -6.946 1.00 0.53 H new ATOM 0 HB3 ASP A 55 12.499 2.397 -7.619 1.00 0.53 H new ATOM 817 N VAL A 56 10.141 0.146 -5.474 1.00 0.35 N ATOM 818 CA VAL A 56 10.439 -0.523 -4.244 1.00 0.40 C ATOM 819 C VAL A 56 10.177 -2.042 -4.405 1.00 0.52 C ATOM 820 O VAL A 56 9.936 -2.514 -5.513 1.00 1.14 O ATOM 821 CB VAL A 56 9.598 0.113 -3.064 1.00 0.55 C ATOM 822 CG1 VAL A 56 8.109 -0.214 -3.160 1.00 1.00 C ATOM 823 CG2 VAL A 56 10.166 -0.200 -1.678 1.00 1.37 C ATOM 0 H VAL A 56 9.186 0.007 -5.804 1.00 0.35 H new ATOM 0 HA VAL A 56 11.492 -0.395 -3.992 1.00 0.40 H new ATOM 0 HB VAL A 56 9.693 1.191 -3.192 1.00 0.55 H new ATOM 0 HG11 VAL A 56 7.581 0.247 -2.326 1.00 1.00 H new ATOM 0 HG12 VAL A 56 7.712 0.172 -4.099 1.00 1.00 H new ATOM 0 HG13 VAL A 56 7.971 -1.295 -3.124 1.00 1.00 H new ATOM 0 HG21 VAL A 56 9.542 0.266 -0.915 1.00 1.37 H new ATOM 0 HG22 VAL A 56 10.180 -1.279 -1.526 1.00 1.37 H new ATOM 0 HG23 VAL A 56 11.181 0.190 -1.604 1.00 1.37 H new ATOM 833 N LYS A 57 10.243 -2.776 -3.329 1.00 0.41 N ATOM 834 CA LYS A 57 9.941 -4.183 -3.293 1.00 0.40 C ATOM 835 C LYS A 57 9.157 -4.407 -2.044 1.00 0.45 C ATOM 836 O LYS A 57 9.545 -3.904 -0.981 1.00 0.67 O ATOM 837 CB LYS A 57 11.217 -5.038 -3.248 1.00 0.57 C ATOM 838 CG LYS A 57 12.057 -4.994 -4.506 1.00 1.30 C ATOM 839 CD LYS A 57 13.296 -5.850 -4.359 1.00 1.77 C ATOM 840 CE LYS A 57 14.088 -5.911 -5.653 1.00 2.45 C ATOM 841 NZ LYS A 57 13.342 -6.585 -6.735 1.00 3.34 N ATOM 0 H LYS A 57 10.518 -2.400 -2.422 1.00 0.41 H new ATOM 0 HA LYS A 57 9.393 -4.472 -4.190 1.00 0.40 H new ATOM 0 HB2 LYS A 57 11.829 -4.708 -2.408 1.00 0.57 H new ATOM 0 HB3 LYS A 57 10.937 -6.073 -3.051 1.00 0.57 H new ATOM 0 HG2 LYS A 57 11.468 -5.343 -5.354 1.00 1.30 H new ATOM 0 HG3 LYS A 57 12.345 -3.965 -4.720 1.00 1.30 H new ATOM 0 HD2 LYS A 57 13.925 -5.448 -3.565 1.00 1.77 H new ATOM 0 HD3 LYS A 57 13.009 -6.858 -4.059 1.00 1.77 H new ATOM 0 HE2 LYS A 57 14.345 -4.899 -5.967 1.00 2.45 H new ATOM 0 HE3 LYS A 57 15.026 -6.438 -5.478 1.00 2.45 H new ATOM 0 HZ1 LYS A 57 13.995 -6.830 -7.506 1.00 3.34 H new ATOM 0 HZ2 LYS A 57 12.902 -7.452 -6.365 1.00 3.34 H new ATOM 0 HZ3 LYS A 57 12.603 -5.948 -7.096 1.00 3.34 H new ATOM 855 N ILE A 58 8.060 -5.092 -2.151 1.00 0.36 N ATOM 856 CA ILE A 58 7.214 -5.343 -1.011 1.00 0.42 C ATOM 857 C ILE A 58 6.829 -6.814 -1.018 1.00 0.46 C ATOM 858 O ILE A 58 5.857 -7.208 -1.656 1.00 0.52 O ATOM 859 CB ILE A 58 5.926 -4.458 -1.018 1.00 0.47 C ATOM 860 CG1 ILE A 58 6.289 -2.974 -1.188 1.00 0.48 C ATOM 861 CG2 ILE A 58 5.154 -4.654 0.290 1.00 0.55 C ATOM 862 CD1 ILE A 58 5.101 -2.056 -1.371 1.00 0.57 C ATOM 0 H ILE A 58 7.721 -5.494 -3.025 1.00 0.36 H new ATOM 0 HA ILE A 58 7.768 -5.087 -0.108 1.00 0.42 H new ATOM 0 HB ILE A 58 5.301 -4.762 -1.858 1.00 0.47 H new ATOM 0 HG12 ILE A 58 6.853 -2.648 -0.314 1.00 0.48 H new ATOM 0 HG13 ILE A 58 6.949 -2.870 -2.050 1.00 0.48 H new ATOM 0 HG21 ILE A 58 4.257 -4.035 0.279 1.00 0.55 H new ATOM 0 HG22 ILE A 58 4.870 -5.702 0.392 1.00 0.55 H new ATOM 0 HG23 ILE A 58 5.784 -4.366 1.131 1.00 0.55 H new ATOM 0 HD11 ILE A 58 5.449 -1.029 -1.483 1.00 0.57 H new ATOM 0 HD12 ILE A 58 4.547 -2.351 -2.262 1.00 0.57 H new ATOM 0 HD13 ILE A 58 4.450 -2.125 -0.500 1.00 0.57 H new ATOM 874 N PRO A 59 7.644 -7.657 -0.393 1.00 0.47 N ATOM 875 CA PRO A 59 7.413 -9.091 -0.345 1.00 0.53 C ATOM 876 C PRO A 59 6.154 -9.444 0.438 1.00 0.53 C ATOM 877 O PRO A 59 5.836 -8.810 1.452 1.00 0.46 O ATOM 878 CB PRO A 59 8.658 -9.637 0.354 1.00 0.59 C ATOM 879 CG PRO A 59 9.662 -8.552 0.240 1.00 0.63 C ATOM 880 CD PRO A 59 8.877 -7.291 0.300 1.00 0.50 C ATOM 0 HA PRO A 59 7.257 -9.512 -1.338 1.00 0.53 H new ATOM 0 HB2 PRO A 59 8.453 -9.878 1.397 1.00 0.59 H new ATOM 0 HB3 PRO A 59 9.009 -10.553 -0.122 1.00 0.59 H new ATOM 0 HG2 PRO A 59 10.390 -8.602 1.049 1.00 0.63 H new ATOM 0 HG3 PRO A 59 10.218 -8.626 -0.694 1.00 0.63 H new ATOM 0 HD2 PRO A 59 8.688 -6.978 1.327 1.00 0.50 H new ATOM 0 HD3 PRO A 59 9.392 -6.468 -0.195 1.00 0.50 H new ATOM 888 N ASP A 60 5.464 -10.462 -0.034 1.00 0.68 N ATOM 889 CA ASP A 60 4.188 -10.931 0.531 1.00 0.77 C ATOM 890 C ASP A 60 4.288 -11.333 2.006 1.00 0.70 C ATOM 891 O ASP A 60 3.283 -11.307 2.739 1.00 0.69 O ATOM 892 CB ASP A 60 3.577 -12.075 -0.307 1.00 1.08 C ATOM 893 CG ASP A 60 4.419 -13.333 -0.337 1.00 1.50 C ATOM 894 OD1 ASP A 60 4.254 -14.194 0.539 1.00 2.30 O ATOM 895 OD2 ASP A 60 5.253 -13.487 -1.259 1.00 1.84 O ATOM 0 H ASP A 60 5.771 -11.008 -0.839 1.00 0.68 H new ATOM 0 HA ASP A 60 3.516 -10.074 0.486 1.00 0.77 H new ATOM 0 HB2 ASP A 60 2.592 -12.318 0.092 1.00 1.08 H new ATOM 0 HB3 ASP A 60 3.429 -11.725 -1.328 1.00 1.08 H new ATOM 900 N ASP A 61 5.470 -11.694 2.463 1.00 0.75 N ATOM 901 CA ASP A 61 5.642 -12.025 3.875 1.00 0.85 C ATOM 902 C ASP A 61 5.629 -10.738 4.686 1.00 0.71 C ATOM 903 O ASP A 61 4.973 -10.650 5.720 1.00 0.79 O ATOM 904 CB ASP A 61 6.930 -12.825 4.146 1.00 1.13 C ATOM 905 CG ASP A 61 8.189 -12.017 4.025 1.00 1.80 C ATOM 906 OD1 ASP A 61 8.558 -11.659 2.896 1.00 2.38 O ATOM 907 OD2 ASP A 61 8.820 -11.723 5.064 1.00 2.31 O ATOM 0 H ASP A 61 6.314 -11.767 1.896 1.00 0.75 H new ATOM 0 HA ASP A 61 4.815 -12.669 4.175 1.00 0.85 H new ATOM 0 HB2 ASP A 61 6.878 -13.249 5.149 1.00 1.13 H new ATOM 0 HB3 ASP A 61 6.979 -13.661 3.449 1.00 1.13 H new ATOM 912 N ASP A 62 6.294 -9.716 4.163 1.00 0.60 N ATOM 913 CA ASP A 62 6.329 -8.420 4.806 1.00 0.62 C ATOM 914 C ASP A 62 4.981 -7.768 4.754 1.00 0.51 C ATOM 915 O ASP A 62 4.604 -7.059 5.674 1.00 0.61 O ATOM 916 CB ASP A 62 7.414 -7.499 4.237 1.00 0.74 C ATOM 917 CG ASP A 62 8.792 -7.834 4.762 1.00 0.82 C ATOM 918 OD1 ASP A 62 9.001 -7.865 5.993 1.00 1.17 O ATOM 919 OD2 ASP A 62 9.684 -8.134 3.941 1.00 1.52 O ATOM 0 H ASP A 62 6.818 -9.766 3.289 1.00 0.60 H new ATOM 0 HA ASP A 62 6.594 -8.592 5.849 1.00 0.62 H new ATOM 0 HB2 ASP A 62 7.415 -7.573 3.150 1.00 0.74 H new ATOM 0 HB3 ASP A 62 7.175 -6.465 4.486 1.00 0.74 H new ATOM 924 N VAL A 63 4.259 -8.028 3.673 1.00 0.43 N ATOM 925 CA VAL A 63 2.874 -7.598 3.500 1.00 0.46 C ATOM 926 C VAL A 63 2.036 -8.047 4.698 1.00 0.46 C ATOM 927 O VAL A 63 1.407 -7.237 5.357 1.00 0.55 O ATOM 928 CB VAL A 63 2.283 -8.213 2.193 1.00 0.53 C ATOM 929 CG1 VAL A 63 0.783 -8.013 2.117 1.00 0.79 C ATOM 930 CG2 VAL A 63 2.933 -7.588 0.975 1.00 0.73 C ATOM 0 H VAL A 63 4.623 -8.552 2.877 1.00 0.43 H new ATOM 0 HA VAL A 63 2.850 -6.511 3.429 1.00 0.46 H new ATOM 0 HB VAL A 63 2.491 -9.283 2.212 1.00 0.53 H new ATOM 0 HG11 VAL A 63 0.404 -8.453 1.195 1.00 0.79 H new ATOM 0 HG12 VAL A 63 0.308 -8.495 2.971 1.00 0.79 H new ATOM 0 HG13 VAL A 63 0.557 -6.947 2.130 1.00 0.79 H new ATOM 0 HG21 VAL A 63 2.510 -8.027 0.071 1.00 0.73 H new ATOM 0 HG22 VAL A 63 2.750 -6.513 0.976 1.00 0.73 H new ATOM 0 HG23 VAL A 63 4.007 -7.773 1.000 1.00 0.73 H new ATOM 940 N LYS A 64 2.075 -9.341 4.985 1.00 0.46 N ATOM 941 CA LYS A 64 1.286 -9.930 6.076 1.00 0.55 C ATOM 942 C LYS A 64 1.743 -9.458 7.464 1.00 0.54 C ATOM 943 O LYS A 64 1.062 -9.690 8.466 1.00 0.63 O ATOM 944 CB LYS A 64 1.316 -11.456 6.014 1.00 0.68 C ATOM 945 CG LYS A 64 0.647 -12.052 4.787 1.00 0.77 C ATOM 946 CD LYS A 64 0.603 -13.579 4.855 1.00 0.99 C ATOM 947 CE LYS A 64 1.985 -14.216 4.776 1.00 1.17 C ATOM 948 NZ LYS A 64 2.634 -13.959 3.472 1.00 1.24 N ATOM 0 H LYS A 64 2.648 -10.014 4.476 1.00 0.46 H new ATOM 0 HA LYS A 64 0.263 -9.582 5.931 1.00 0.55 H new ATOM 0 HB2 LYS A 64 2.354 -11.787 6.043 1.00 0.68 H new ATOM 0 HB3 LYS A 64 0.830 -11.852 6.905 1.00 0.68 H new ATOM 0 HG2 LYS A 64 -0.367 -11.662 4.699 1.00 0.77 H new ATOM 0 HG3 LYS A 64 1.186 -11.743 3.892 1.00 0.77 H new ATOM 0 HD2 LYS A 64 0.121 -13.883 5.784 1.00 0.99 H new ATOM 0 HD3 LYS A 64 -0.013 -13.956 4.039 1.00 0.99 H new ATOM 0 HE2 LYS A 64 2.612 -13.825 5.577 1.00 1.17 H new ATOM 0 HE3 LYS A 64 1.899 -15.291 4.934 1.00 1.17 H new ATOM 0 HZ1 LYS A 64 3.517 -14.504 3.410 1.00 1.24 H new ATOM 0 HZ2 LYS A 64 1.995 -14.247 2.704 1.00 1.24 H new ATOM 0 HZ3 LYS A 64 2.846 -12.945 3.384 1.00 1.24 H new ATOM 962 N ASN A 65 2.880 -8.816 7.525 1.00 0.50 N ATOM 963 CA ASN A 65 3.400 -8.317 8.783 1.00 0.56 C ATOM 964 C ASN A 65 2.932 -6.877 8.999 1.00 0.52 C ATOM 965 O ASN A 65 2.875 -6.384 10.130 1.00 0.65 O ATOM 966 CB ASN A 65 4.934 -8.404 8.788 1.00 0.64 C ATOM 967 CG ASN A 65 5.574 -8.065 10.130 1.00 1.32 C ATOM 968 OD1 ASN A 65 5.912 -6.904 10.415 1.00 1.95 O ATOM 969 ND2 ASN A 65 5.777 -9.067 10.949 1.00 2.07 N ATOM 0 H ASN A 65 3.471 -8.623 6.716 1.00 0.50 H new ATOM 0 HA ASN A 65 3.022 -8.929 9.602 1.00 0.56 H new ATOM 0 HB2 ASN A 65 5.231 -9.413 8.501 1.00 0.64 H new ATOM 0 HB3 ASN A 65 5.328 -7.728 8.029 1.00 0.64 H new ATOM 0 HD21 ASN A 65 6.225 -8.906 11.851 1.00 2.07 H new ATOM 0 HD22 ASN A 65 5.487 -10.009 10.685 1.00 2.07 H new ATOM 976 N LEU A 66 2.545 -6.227 7.916 1.00 0.43 N ATOM 977 CA LEU A 66 2.112 -4.855 7.967 1.00 0.43 C ATOM 978 C LEU A 66 0.625 -4.811 8.253 1.00 0.43 C ATOM 979 O LEU A 66 -0.055 -5.837 8.171 1.00 0.47 O ATOM 980 CB LEU A 66 2.445 -4.149 6.655 1.00 0.44 C ATOM 981 CG LEU A 66 3.934 -4.087 6.302 1.00 0.50 C ATOM 982 CD1 LEU A 66 4.128 -3.509 4.924 1.00 0.57 C ATOM 983 CD2 LEU A 66 4.704 -3.272 7.329 1.00 0.60 C ATOM 0 H LEU A 66 2.524 -6.639 6.983 1.00 0.43 H new ATOM 0 HA LEU A 66 2.636 -4.332 8.767 1.00 0.43 H new ATOM 0 HB2 LEU A 66 1.918 -4.655 5.846 1.00 0.44 H new ATOM 0 HB3 LEU A 66 2.057 -3.131 6.701 1.00 0.44 H new ATOM 0 HG LEU A 66 4.324 -5.105 6.312 1.00 0.50 H new ATOM 0 HD11 LEU A 66 5.192 -3.473 4.691 1.00 0.57 H new ATOM 0 HD12 LEU A 66 3.617 -4.134 4.192 1.00 0.57 H new ATOM 0 HD13 LEU A 66 3.715 -2.501 4.891 1.00 0.57 H new ATOM 0 HD21 LEU A 66 5.759 -3.244 7.055 1.00 0.60 H new ATOM 0 HD22 LEU A 66 4.309 -2.256 7.358 1.00 0.60 H new ATOM 0 HD23 LEU A 66 4.597 -3.731 8.312 1.00 0.60 H new ATOM 995 N LYS A 67 0.119 -3.656 8.610 1.00 0.45 N ATOM 996 CA LYS A 67 -1.280 -3.543 8.965 1.00 0.50 C ATOM 997 C LYS A 67 -1.970 -2.298 8.389 1.00 0.43 C ATOM 998 O LYS A 67 -2.958 -2.413 7.686 1.00 0.52 O ATOM 999 CB LYS A 67 -1.429 -3.670 10.486 1.00 0.64 C ATOM 1000 CG LYS A 67 -0.596 -2.680 11.286 1.00 0.85 C ATOM 1001 CD LYS A 67 -0.287 -3.220 12.668 1.00 0.88 C ATOM 1002 CE LYS A 67 0.684 -4.410 12.591 1.00 1.86 C ATOM 1003 NZ LYS A 67 2.032 -4.002 12.103 1.00 2.69 N ATOM 0 H LYS A 67 0.648 -2.785 8.663 1.00 0.45 H new ATOM 0 HA LYS A 67 -1.813 -4.368 8.493 1.00 0.50 H new ATOM 0 HB2 LYS A 67 -2.479 -3.537 10.748 1.00 0.64 H new ATOM 0 HB3 LYS A 67 -1.152 -4.682 10.782 1.00 0.64 H new ATOM 0 HG2 LYS A 67 0.334 -2.471 10.757 1.00 0.85 H new ATOM 0 HG3 LYS A 67 -1.132 -1.735 11.373 1.00 0.85 H new ATOM 0 HD2 LYS A 67 0.147 -2.431 13.282 1.00 0.88 H new ATOM 0 HD3 LYS A 67 -1.211 -3.531 13.156 1.00 0.88 H new ATOM 0 HE2 LYS A 67 0.778 -4.865 13.577 1.00 1.86 H new ATOM 0 HE3 LYS A 67 0.273 -5.170 11.927 1.00 1.86 H new ATOM 0 HZ1 LYS A 67 2.678 -4.816 12.147 1.00 2.69 H new ATOM 0 HZ2 LYS A 67 1.960 -3.670 11.120 1.00 2.69 H new ATOM 0 HZ3 LYS A 67 2.400 -3.235 12.701 1.00 2.69 H new ATOM 1017 N THR A 68 -1.460 -1.124 8.663 1.00 0.37 N ATOM 1018 CA THR A 68 -2.090 0.070 8.157 1.00 0.35 C ATOM 1019 C THR A 68 -1.276 0.641 7.023 1.00 0.32 C ATOM 1020 O THR A 68 -0.205 0.122 6.705 1.00 0.33 O ATOM 1021 CB THR A 68 -2.230 1.137 9.253 1.00 0.38 C ATOM 1022 OG1 THR A 68 -0.928 1.427 9.778 1.00 0.36 O ATOM 1023 CG2 THR A 68 -3.140 0.655 10.374 1.00 0.46 C ATOM 0 H THR A 68 -0.623 -0.969 9.225 1.00 0.37 H new ATOM 0 HA THR A 68 -3.085 -0.205 7.806 1.00 0.35 H new ATOM 0 HB THR A 68 -2.675 2.034 8.822 1.00 0.38 H new ATOM 0 HG1 THR A 68 -1.002 2.109 10.478 1.00 0.36 H new ATOM 0 HG21 THR A 68 -3.221 1.430 11.136 1.00 0.46 H new ATOM 0 HG22 THR A 68 -4.129 0.437 9.971 1.00 0.46 H new ATOM 0 HG23 THR A 68 -2.722 -0.248 10.819 1.00 0.46 H new ATOM 1031 N VAL A 69 -1.727 1.739 6.459 1.00 0.33 N ATOM 1032 CA VAL A 69 -0.974 2.397 5.420 1.00 0.33 C ATOM 1033 C VAL A 69 0.179 3.175 6.044 1.00 0.34 C ATOM 1034 O VAL A 69 1.194 3.414 5.409 1.00 0.36 O ATOM 1035 CB VAL A 69 -1.842 3.329 4.529 1.00 0.39 C ATOM 1036 CG1 VAL A 69 -2.999 2.566 3.916 1.00 0.66 C ATOM 1037 CG2 VAL A 69 -2.353 4.513 5.303 1.00 0.56 C ATOM 0 H VAL A 69 -2.608 2.192 6.702 1.00 0.33 H new ATOM 0 HA VAL A 69 -0.589 1.621 4.759 1.00 0.33 H new ATOM 0 HB VAL A 69 -1.203 3.700 3.727 1.00 0.39 H new ATOM 0 HG11 VAL A 69 -3.592 3.239 3.297 1.00 0.66 H new ATOM 0 HG12 VAL A 69 -2.613 1.753 3.301 1.00 0.66 H new ATOM 0 HG13 VAL A 69 -3.625 2.156 4.708 1.00 0.66 H new ATOM 0 HG21 VAL A 69 -2.956 5.143 4.649 1.00 0.56 H new ATOM 0 HG22 VAL A 69 -2.964 4.167 6.137 1.00 0.56 H new ATOM 0 HG23 VAL A 69 -1.510 5.089 5.685 1.00 0.56 H new ATOM 1047 N GLY A 70 0.030 3.509 7.324 1.00 0.36 N ATOM 1048 CA GLY A 70 1.074 4.201 8.043 1.00 0.38 C ATOM 1049 C GLY A 70 2.168 3.243 8.394 1.00 0.39 C ATOM 1050 O GLY A 70 3.348 3.572 8.335 1.00 0.46 O ATOM 0 H GLY A 70 -0.804 3.308 7.875 1.00 0.36 H new ATOM 0 HA2 GLY A 70 1.471 5.013 7.434 1.00 0.38 H new ATOM 0 HA3 GLY A 70 0.668 4.651 8.949 1.00 0.38 H new ATOM 1054 N ASP A 71 1.763 2.037 8.712 1.00 0.42 N ATOM 1055 CA ASP A 71 2.688 0.967 9.038 1.00 0.50 C ATOM 1056 C ASP A 71 3.396 0.477 7.777 1.00 0.49 C ATOM 1057 O ASP A 71 4.581 0.161 7.794 1.00 0.58 O ATOM 1058 CB ASP A 71 1.919 -0.168 9.717 1.00 0.62 C ATOM 1059 CG ASP A 71 2.769 -1.344 10.125 1.00 0.82 C ATOM 1060 OD1 ASP A 71 3.864 -1.117 10.652 1.00 1.00 O ATOM 1061 OD2 ASP A 71 2.398 -2.499 9.827 1.00 1.62 O ATOM 0 H ASP A 71 0.781 1.765 8.753 1.00 0.42 H new ATOM 0 HA ASP A 71 3.452 1.335 9.723 1.00 0.50 H new ATOM 0 HB2 ASP A 71 1.420 0.227 10.602 1.00 0.62 H new ATOM 0 HB3 ASP A 71 1.139 -0.517 9.040 1.00 0.62 H new ATOM 1066 N ALA A 72 2.680 0.493 6.672 1.00 0.43 N ATOM 1067 CA ALA A 72 3.204 0.012 5.414 1.00 0.48 C ATOM 1068 C ALA A 72 4.172 1.002 4.789 1.00 0.44 C ATOM 1069 O ALA A 72 5.197 0.607 4.225 1.00 0.47 O ATOM 1070 CB ALA A 72 2.074 -0.300 4.454 1.00 0.51 C ATOM 0 H ALA A 72 1.722 0.839 6.622 1.00 0.43 H new ATOM 0 HA ALA A 72 3.758 -0.904 5.619 1.00 0.48 H new ATOM 0 HB1 ALA A 72 2.486 -0.661 3.512 1.00 0.51 H new ATOM 0 HB2 ALA A 72 1.431 -1.067 4.886 1.00 0.51 H new ATOM 0 HB3 ALA A 72 1.491 0.603 4.273 1.00 0.51 H new ATOM 1076 N THR A 73 3.872 2.285 4.915 1.00 0.40 N ATOM 1077 CA THR A 73 4.685 3.312 4.316 1.00 0.39 C ATOM 1078 C THR A 73 6.100 3.376 4.870 1.00 0.39 C ATOM 1079 O THR A 73 7.017 3.793 4.166 1.00 0.41 O ATOM 1080 CB THR A 73 4.021 4.695 4.346 1.00 0.37 C ATOM 1081 OG1 THR A 73 3.398 4.912 5.612 1.00 0.36 O ATOM 1082 CG2 THR A 73 3.009 4.850 3.227 1.00 0.46 C ATOM 0 H THR A 73 3.065 2.634 5.432 1.00 0.40 H new ATOM 0 HA THR A 73 4.772 3.011 3.272 1.00 0.39 H new ATOM 0 HB THR A 73 4.798 5.445 4.196 1.00 0.37 H new ATOM 0 HG1 THR A 73 2.447 4.685 5.552 1.00 0.36 H new ATOM 0 HG21 THR A 73 2.558 5.841 3.279 1.00 0.46 H new ATOM 0 HG22 THR A 73 3.508 4.728 2.266 1.00 0.46 H new ATOM 0 HG23 THR A 73 2.232 4.092 3.331 1.00 0.46 H new ATOM 1090 N LYS A 74 6.286 2.902 6.091 1.00 0.47 N ATOM 1091 CA LYS A 74 7.598 2.889 6.698 1.00 0.53 C ATOM 1092 C LYS A 74 8.486 1.863 6.005 1.00 0.48 C ATOM 1093 O LYS A 74 9.638 2.126 5.740 1.00 0.55 O ATOM 1094 CB LYS A 74 7.502 2.617 8.201 1.00 0.65 C ATOM 1095 CG LYS A 74 8.847 2.555 8.908 1.00 1.26 C ATOM 1096 CD LYS A 74 8.683 2.363 10.403 1.00 1.88 C ATOM 1097 CE LYS A 74 10.028 2.225 11.099 1.00 2.66 C ATOM 1098 NZ LYS A 74 10.907 3.392 10.877 1.00 3.54 N ATOM 0 H LYS A 74 5.543 2.522 6.677 1.00 0.47 H new ATOM 0 HA LYS A 74 8.051 3.873 6.573 1.00 0.53 H new ATOM 0 HB2 LYS A 74 6.897 3.397 8.663 1.00 0.65 H new ATOM 0 HB3 LYS A 74 6.978 1.674 8.356 1.00 0.65 H new ATOM 0 HG2 LYS A 74 9.437 1.735 8.498 1.00 1.26 H new ATOM 0 HG3 LYS A 74 9.402 3.474 8.717 1.00 1.26 H new ATOM 0 HD2 LYS A 74 8.141 3.211 10.822 1.00 1.88 H new ATOM 0 HD3 LYS A 74 8.081 1.474 10.593 1.00 1.88 H new ATOM 0 HE2 LYS A 74 9.867 2.095 12.169 1.00 2.66 H new ATOM 0 HE3 LYS A 74 10.528 1.325 10.740 1.00 2.66 H new ATOM 0 HZ1 LYS A 74 11.735 3.327 11.503 1.00 3.54 H new ATOM 0 HZ2 LYS A 74 11.223 3.405 9.886 1.00 3.54 H new ATOM 0 HZ3 LYS A 74 10.383 4.266 11.085 1.00 3.54 H new ATOM 1112 N TYR A 75 7.909 0.721 5.654 1.00 0.45 N ATOM 1113 CA TYR A 75 8.650 -0.344 4.977 1.00 0.44 C ATOM 1114 C TYR A 75 9.037 0.106 3.560 1.00 0.40 C ATOM 1115 O TYR A 75 10.110 -0.247 3.024 1.00 0.48 O ATOM 1116 CB TYR A 75 7.805 -1.628 4.921 1.00 0.49 C ATOM 1117 CG TYR A 75 8.520 -2.796 4.287 1.00 0.50 C ATOM 1118 CD1 TYR A 75 9.371 -3.588 5.034 1.00 0.68 C ATOM 1119 CD2 TYR A 75 8.356 -3.096 2.936 1.00 0.52 C ATOM 1120 CE1 TYR A 75 10.043 -4.643 4.465 1.00 0.77 C ATOM 1121 CE2 TYR A 75 9.020 -4.151 2.357 1.00 0.61 C ATOM 1122 CZ TYR A 75 9.867 -4.923 3.130 1.00 0.69 C ATOM 1123 OH TYR A 75 10.547 -5.977 2.567 1.00 0.83 O ATOM 0 H TYR A 75 6.927 0.505 5.826 1.00 0.45 H new ATOM 0 HA TYR A 75 9.560 -0.554 5.539 1.00 0.44 H new ATOM 0 HB2 TYR A 75 7.507 -1.901 5.933 1.00 0.49 H new ATOM 0 HB3 TYR A 75 6.890 -1.427 4.363 1.00 0.49 H new ATOM 0 HD1 TYR A 75 9.510 -3.374 6.083 1.00 0.68 H new ATOM 0 HD2 TYR A 75 7.696 -2.489 2.334 1.00 0.52 H new ATOM 0 HE1 TYR A 75 10.706 -5.250 5.064 1.00 0.77 H new ATOM 0 HE2 TYR A 75 8.882 -4.374 1.309 1.00 0.61 H new ATOM 0 HH TYR A 75 10.388 -6.788 3.094 1.00 0.83 H new ATOM 1133 N ILE A 76 8.161 0.874 2.966 1.00 0.37 N ATOM 1134 CA ILE A 76 8.377 1.434 1.648 1.00 0.43 C ATOM 1135 C ILE A 76 9.498 2.464 1.728 1.00 0.52 C ATOM 1136 O ILE A 76 10.535 2.317 1.059 1.00 0.65 O ATOM 1137 CB ILE A 76 7.081 2.102 1.141 1.00 0.45 C ATOM 1138 CG1 ILE A 76 5.952 1.067 1.092 1.00 0.48 C ATOM 1139 CG2 ILE A 76 7.304 2.720 -0.244 1.00 0.59 C ATOM 1140 CD1 ILE A 76 4.604 1.649 0.768 1.00 0.55 C ATOM 0 H ILE A 76 7.267 1.134 3.384 1.00 0.37 H new ATOM 0 HA ILE A 76 8.655 0.642 0.952 1.00 0.43 H new ATOM 0 HB ILE A 76 6.800 2.900 1.828 1.00 0.45 H new ATOM 0 HG12 ILE A 76 6.198 0.310 0.347 1.00 0.48 H new ATOM 0 HG13 ILE A 76 5.896 0.560 2.055 1.00 0.48 H new ATOM 0 HG21 ILE A 76 6.381 3.187 -0.587 1.00 0.59 H new ATOM 0 HG22 ILE A 76 8.091 3.472 -0.184 1.00 0.59 H new ATOM 0 HG23 ILE A 76 7.600 1.941 -0.947 1.00 0.59 H new ATOM 0 HD11 ILE A 76 3.859 0.854 0.752 1.00 0.55 H new ATOM 0 HD12 ILE A 76 4.334 2.385 1.526 1.00 0.55 H new ATOM 0 HD13 ILE A 76 4.641 2.131 -0.209 1.00 0.55 H new ATOM 1152 N LEU A 77 9.302 3.473 2.596 1.00 0.52 N ATOM 1153 CA LEU A 77 10.252 4.569 2.797 1.00 0.71 C ATOM 1154 C LEU A 77 11.612 4.053 3.256 1.00 0.78 C ATOM 1155 O LEU A 77 12.640 4.692 3.044 1.00 0.96 O ATOM 1156 CB LEU A 77 9.685 5.575 3.786 1.00 0.86 C ATOM 1157 CG LEU A 77 10.512 6.845 4.054 1.00 0.88 C ATOM 1158 CD1 LEU A 77 10.696 7.664 2.782 1.00 1.74 C ATOM 1159 CD2 LEU A 77 9.852 7.686 5.127 1.00 0.99 C ATOM 0 H LEU A 77 8.470 3.546 3.181 1.00 0.52 H new ATOM 0 HA LEU A 77 10.405 5.069 1.840 1.00 0.71 H new ATOM 0 HB2 LEU A 77 8.702 5.882 3.429 1.00 0.86 H new ATOM 0 HB3 LEU A 77 9.533 5.064 4.737 1.00 0.86 H new ATOM 0 HG LEU A 77 11.498 6.536 4.401 1.00 0.88 H new ATOM 0 HD11 LEU A 77 11.284 8.554 3.004 1.00 1.74 H new ATOM 0 HD12 LEU A 77 11.215 7.064 2.035 1.00 1.74 H new ATOM 0 HD13 LEU A 77 9.721 7.960 2.396 1.00 1.74 H new ATOM 0 HD21 LEU A 77 10.448 8.581 5.306 1.00 0.99 H new ATOM 0 HD22 LEU A 77 8.853 7.975 4.800 1.00 0.99 H new ATOM 0 HD23 LEU A 77 9.779 7.108 6.048 1.00 0.99 H new ATOM 1171 N ASP A 78 11.593 2.888 3.861 1.00 0.71 N ATOM 1172 CA ASP A 78 12.794 2.187 4.310 1.00 0.84 C ATOM 1173 C ASP A 78 13.725 1.883 3.138 1.00 0.94 C ATOM 1174 O ASP A 78 14.944 1.975 3.256 1.00 1.09 O ATOM 1175 CB ASP A 78 12.391 0.871 4.983 1.00 0.91 C ATOM 1176 CG ASP A 78 13.556 0.041 5.454 1.00 1.15 C ATOM 1177 OD1 ASP A 78 14.058 -0.780 4.667 1.00 1.26 O ATOM 1178 OD2 ASP A 78 14.012 0.223 6.601 1.00 1.32 O ATOM 0 H ASP A 78 10.730 2.383 4.063 1.00 0.71 H new ATOM 0 HA ASP A 78 13.322 2.829 5.015 1.00 0.84 H new ATOM 0 HB2 ASP A 78 11.748 1.093 5.835 1.00 0.91 H new ATOM 0 HB3 ASP A 78 11.799 0.283 4.282 1.00 0.91 H new