USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 706 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 67 SER OG : rot 63:sc= 0.765 USER MOD Set 1.2: A 86 ASN :FLIP amide:sc= -4.15! C(o=-8.1!,f=-3.4!) USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0.333 USER MOD Set 2.2: A 31 THR OG1 : rot -99:sc= 0.168 USER MOD Set 3.1: A 30 ASN : amide:sc= 0.808 X(o=1.8,f=1.9) USER MOD Set 3.2: A 32 SER OG : rot 174:sc= 0.984 USER MOD Set 4.1: A 11 SER OG : rot -68:sc= 1.22 USER MOD Set 4.2: A 20 SER OG : rot -19:sc= 1.49 USER MOD Set 5.1: A 7 THR OG1 : rot -62:sc= 1.11 USER MOD Set 5.2: A 93 ASN : amide:sc= -2.26 K(o=-1.1,f=-5.6!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -2.37 K(o=-2.4,f=-3.1) USER MOD Single : A 9 TYR OH : rot -7:sc= 0.732 USER MOD Single : A 10 ASN : amide:sc= -1.11 K(o=-1.1,f=-3.7!) USER MOD Single : A 14 GLN : amide:sc= -0.403 X(o=-0.4,f=-0.3) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.362 USER MOD Single : A 26 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.012) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -1.03 F(o=-2!,f=-1) USER MOD Single : A 38 SER OG : rot -1:sc= 0.967 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0322) USER MOD Single : A 50 GLN : amide:sc=-0.00266 X(o=-0.0027,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN :FLIP amide:sc= -0.172 F(o=-0.79,f=-0.17) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 61 THR OG1 : rot -89:sc= 0.396 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -93:sc= 0.816 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -41:sc= -0.204 USER MOD Single : A 84 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0451) USER MOD Single : A 90 HIS : no HE2:sc= 0.398 K(o=0.4,f=-1.8) USER MOD Single : A 97 THR OG1 : rot -35:sc= 0.647 USER MOD Single : A 99 LYS NZ :NH3+ 149:sc= -0.219 (180deg=-0.994) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N GLY A 2 -3.605 -1.618 -11.398 1.00 0.00 N ATOM 23 CA GLY A 2 -3.721 -0.890 -10.152 1.00 0.00 C ATOM 24 C GLY A 2 -4.959 -0.021 -10.058 1.00 0.00 C ATOM 25 O GLY A 2 -6.088 -0.497 -10.159 1.00 0.00 O ATOM 0 HA2 GLY A 2 -3.726 -1.602 -9.326 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -2.839 -0.262 -10.026 1.00 0.00 H new ATOM 29 N LYS A 3 -4.719 1.272 -9.911 1.00 0.00 N ATOM 30 CA LYS A 3 -5.791 2.260 -9.838 1.00 0.00 C ATOM 31 C LYS A 3 -7.011 1.731 -9.053 1.00 0.00 C ATOM 32 O LYS A 3 -8.124 1.667 -9.575 1.00 0.00 O ATOM 33 CB LYS A 3 -6.166 2.675 -11.289 1.00 0.00 C ATOM 34 CG LYS A 3 -5.492 4.013 -11.674 1.00 0.00 C ATOM 35 CD LYS A 3 -3.947 3.883 -11.671 1.00 0.00 C ATOM 36 CE LYS A 3 -3.446 3.365 -13.023 1.00 0.00 C ATOM 37 NZ LYS A 3 -1.960 3.257 -12.985 1.00 0.00 N ATOM 0 H LYS A 3 -3.782 1.668 -9.839 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.446 3.135 -9.286 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.858 1.895 -11.985 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.248 2.771 -11.376 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.832 4.323 -12.662 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.796 4.791 -10.974 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.496 4.852 -11.457 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.635 3.204 -10.877 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.888 2.393 -13.240 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.753 4.040 -13.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.614 2.906 -13.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.549 4.193 -12.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.679 2.597 -12.232 1.00 0.00 H new ATOM 51 N PHE A 4 -6.801 1.389 -7.777 1.00 0.00 N ATOM 52 CA PHE A 4 -7.902 0.914 -6.933 1.00 0.00 C ATOM 53 C PHE A 4 -8.668 2.119 -6.392 1.00 0.00 C ATOM 54 O PHE A 4 -9.895 2.101 -6.297 1.00 0.00 O ATOM 55 CB PHE A 4 -7.384 0.049 -5.765 1.00 0.00 C ATOM 56 CG PHE A 4 -6.682 0.905 -4.732 1.00 0.00 C ATOM 57 CD1 PHE A 4 -5.398 1.411 -5.007 1.00 0.00 C ATOM 58 CD2 PHE A 4 -7.305 1.192 -3.495 1.00 0.00 C ATOM 59 CE1 PHE A 4 -4.737 2.206 -4.056 1.00 0.00 C ATOM 60 CE2 PHE A 4 -6.637 1.985 -2.536 1.00 0.00 C ATOM 61 CZ PHE A 4 -5.353 2.498 -2.820 1.00 0.00 C ATOM 0 H PHE A 4 -5.894 1.431 -7.312 1.00 0.00 H new ATOM 0 HA PHE A 4 -8.562 0.291 -7.537 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.217 -0.479 -5.301 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.697 -0.708 -6.144 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.921 1.188 -5.950 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.291 0.805 -3.284 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.753 2.596 -4.272 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -7.108 2.198 -1.588 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.843 3.113 -2.093 1.00 0.00 H new ATOM 71 N SER A 5 -7.920 3.169 -6.052 1.00 0.00 N ATOM 72 CA SER A 5 -8.511 4.397 -5.530 1.00 0.00 C ATOM 73 C SER A 5 -9.594 4.917 -6.467 1.00 0.00 C ATOM 74 O SER A 5 -10.507 5.625 -6.042 1.00 0.00 O ATOM 75 CB SER A 5 -7.427 5.461 -5.365 1.00 0.00 C ATOM 76 OG SER A 5 -6.939 5.837 -6.645 1.00 0.00 O ATOM 0 H SER A 5 -6.903 3.192 -6.130 1.00 0.00 H new ATOM 0 HA SER A 5 -8.963 4.177 -4.563 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.831 6.331 -4.847 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.613 5.075 -4.752 1.00 0.00 H new ATOM 0 HG SER A 5 -6.245 6.521 -6.542 1.00 0.00 H new ATOM 82 N GLN A 6 -9.490 4.561 -7.744 1.00 0.00 N ATOM 83 CA GLN A 6 -10.471 5.000 -8.728 1.00 0.00 C ATOM 84 C GLN A 6 -11.846 4.434 -8.396 1.00 0.00 C ATOM 85 O GLN A 6 -12.869 5.063 -8.666 1.00 0.00 O ATOM 86 CB GLN A 6 -10.052 4.544 -10.128 1.00 0.00 C ATOM 87 CG GLN A 6 -8.768 5.266 -10.543 1.00 0.00 C ATOM 88 CD GLN A 6 -8.479 4.987 -12.019 1.00 0.00 C ATOM 89 OE1 GLN A 6 -8.921 3.992 -12.559 1.00 0.00 O ATOM 90 NE2 GLN A 6 -7.746 5.826 -12.697 1.00 0.00 N ATOM 0 H GLN A 6 -8.743 3.975 -8.118 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.521 6.089 -8.704 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.894 3.466 -10.137 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -10.847 4.756 -10.843 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -8.872 6.338 -10.378 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -7.934 4.929 -9.928 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -7.375 6.661 -12.244 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -7.544 5.647 -13.681 1.00 0.00 H new ATOM 99 N THR A 7 -11.860 3.238 -7.806 1.00 0.00 N ATOM 100 CA THR A 7 -13.112 2.574 -7.428 1.00 0.00 C ATOM 101 C THR A 7 -13.038 2.109 -5.976 1.00 0.00 C ATOM 102 O THR A 7 -13.629 1.096 -5.602 1.00 0.00 O ATOM 103 CB THR A 7 -13.381 1.357 -8.333 1.00 0.00 C ATOM 104 OG1 THR A 7 -14.441 0.583 -7.790 1.00 0.00 O ATOM 105 CG2 THR A 7 -12.120 0.501 -8.426 1.00 0.00 C ATOM 0 H THR A 7 -11.019 2.708 -7.579 1.00 0.00 H new ATOM 0 HA THR A 7 -13.924 3.291 -7.546 1.00 0.00 H new ATOM 0 HB THR A 7 -13.659 1.702 -9.329 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.180 0.244 -6.908 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.311 -0.360 -9.067 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.308 1.094 -8.847 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.839 0.157 -7.430 1.00 0.00 H new ATOM 113 N CYS A 8 -12.317 2.878 -5.156 1.00 0.00 N ATOM 114 CA CYS A 8 -12.173 2.567 -3.732 1.00 0.00 C ATOM 115 C CYS A 8 -12.166 3.847 -2.910 1.00 0.00 C ATOM 116 O CYS A 8 -11.567 4.849 -3.303 1.00 0.00 O ATOM 117 CB CYS A 8 -10.892 1.767 -3.475 1.00 0.00 C ATOM 118 SG CYS A 8 -11.078 0.100 -4.157 1.00 0.00 S ATOM 0 H CYS A 8 -11.824 3.720 -5.454 1.00 0.00 H new ATOM 0 HA CYS A 8 -13.024 1.957 -3.429 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.039 2.267 -3.935 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.692 1.714 -2.405 1.00 0.00 H new ATOM 123 N TYR A 9 -12.854 3.807 -1.768 1.00 0.00 N ATOM 124 CA TYR A 9 -12.951 4.965 -0.878 1.00 0.00 C ATOM 125 C TYR A 9 -12.763 4.542 0.576 1.00 0.00 C ATOM 126 O TYR A 9 -12.815 3.354 0.895 1.00 0.00 O ATOM 127 CB TYR A 9 -14.321 5.629 -1.049 1.00 0.00 C ATOM 128 CG TYR A 9 -15.416 4.656 -0.663 1.00 0.00 C ATOM 129 CD1 TYR A 9 -15.888 3.712 -1.602 1.00 0.00 C ATOM 130 CD2 TYR A 9 -15.967 4.692 0.635 1.00 0.00 C ATOM 131 CE1 TYR A 9 -16.911 2.807 -1.240 1.00 0.00 C ATOM 132 CE2 TYR A 9 -16.988 3.787 0.997 1.00 0.00 C ATOM 133 CZ TYR A 9 -17.461 2.845 0.060 1.00 0.00 C ATOM 134 OH TYR A 9 -18.518 2.019 0.388 1.00 0.00 O ATOM 0 H TYR A 9 -13.354 2.982 -1.437 1.00 0.00 H new ATOM 0 HA TYR A 9 -12.165 5.673 -1.138 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -14.382 6.523 -0.429 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.454 5.948 -2.083 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -15.467 3.682 -2.596 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -15.607 5.414 1.353 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -17.272 2.086 -1.958 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -17.407 3.816 1.992 1.00 0.00 H new ATOM 0 HH TYR A 9 -18.836 1.560 -0.417 1.00 0.00 H new ATOM 144 N ASN A 10 -12.520 5.525 1.443 1.00 0.00 N ATOM 145 CA ASN A 10 -12.299 5.264 2.864 1.00 0.00 C ATOM 146 C ASN A 10 -11.067 4.391 3.055 1.00 0.00 C ATOM 147 O ASN A 10 -11.093 3.410 3.798 1.00 0.00 O ATOM 148 CB ASN A 10 -13.521 4.586 3.493 1.00 0.00 C ATOM 149 CG ASN A 10 -13.300 4.424 4.998 1.00 0.00 C ATOM 150 OD1 ASN A 10 -12.326 4.908 5.537 1.00 0.00 O ATOM 151 ND2 ASN A 10 -14.173 3.758 5.702 1.00 0.00 N ATOM 0 H ASN A 10 -12.471 6.511 1.185 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.140 6.220 3.362 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -14.415 5.182 3.309 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -13.686 3.612 3.033 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -14.038 3.643 6.706 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -14.991 3.352 5.248 1.00 0.00 H new ATOM 158 N SER A 11 -9.984 4.763 2.375 1.00 0.00 N ATOM 159 CA SER A 11 -8.735 4.017 2.470 1.00 0.00 C ATOM 160 C SER A 11 -7.992 4.392 3.748 1.00 0.00 C ATOM 161 O SER A 11 -8.101 5.519 4.230 1.00 0.00 O ATOM 162 CB SER A 11 -7.859 4.305 1.248 1.00 0.00 C ATOM 163 OG SER A 11 -8.667 4.289 0.079 1.00 0.00 O ATOM 0 H SER A 11 -9.948 5.573 1.756 1.00 0.00 H new ATOM 0 HA SER A 11 -8.963 2.952 2.499 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.372 5.275 1.355 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.069 3.559 1.168 1.00 0.00 H new ATOM 0 HG SER A 11 -8.977 3.375 -0.092 1.00 0.00 H new ATOM 169 N ALA A 12 -7.238 3.442 4.296 1.00 0.00 N ATOM 170 CA ALA A 12 -6.483 3.685 5.526 1.00 0.00 C ATOM 171 C ALA A 12 -5.283 2.754 5.603 1.00 0.00 C ATOM 172 O ALA A 12 -5.318 1.637 5.089 1.00 0.00 O ATOM 173 CB ALA A 12 -7.379 3.465 6.734 1.00 0.00 C ATOM 0 H ALA A 12 -7.133 2.503 3.912 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.130 4.716 5.520 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.811 3.647 7.646 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.225 4.151 6.690 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.745 2.438 6.734 1.00 0.00 H new ATOM 179 N ILE A 13 -4.210 3.225 6.240 1.00 0.00 N ATOM 180 CA ILE A 13 -2.986 2.433 6.383 1.00 0.00 C ATOM 181 C ILE A 13 -2.435 2.588 7.790 1.00 0.00 C ATOM 182 O ILE A 13 -2.382 3.695 8.325 1.00 0.00 O ATOM 183 CB ILE A 13 -1.907 2.898 5.387 1.00 0.00 C ATOM 184 CG1 ILE A 13 -2.479 2.827 3.966 1.00 0.00 C ATOM 185 CG2 ILE A 13 -0.677 1.987 5.504 1.00 0.00 C ATOM 186 CD1 ILE A 13 -1.516 3.470 2.955 1.00 0.00 C ATOM 0 H ILE A 13 -4.163 4.151 6.665 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.237 1.391 6.182 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.611 3.923 5.609 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.658 1.787 3.693 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.442 3.336 3.931 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.087 2.315 4.799 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.281 2.038 6.518 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.962 0.960 5.277 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.944 3.407 1.954 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.358 4.516 3.217 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.562 2.943 2.975 1.00 0.00 H new ATOM 198 N GLN A 14 -2.012 1.476 8.389 1.00 0.00 N ATOM 199 CA GLN A 14 -1.459 1.521 9.738 1.00 0.00 C ATOM 200 C GLN A 14 -0.544 0.330 9.996 1.00 0.00 C ATOM 201 O GLN A 14 -0.973 -0.730 10.451 1.00 0.00 O ATOM 202 CB GLN A 14 -2.595 1.561 10.771 1.00 0.00 C ATOM 203 CG GLN A 14 -2.063 2.025 12.134 1.00 0.00 C ATOM 204 CD GLN A 14 -1.565 3.471 12.035 1.00 0.00 C ATOM 205 OE1 GLN A 14 -2.349 4.396 11.957 1.00 0.00 O ATOM 206 NE2 GLN A 14 -0.280 3.701 12.021 1.00 0.00 N ATOM 0 H GLN A 14 -2.041 0.547 7.968 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.861 2.428 9.834 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.380 2.236 10.431 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.044 0.572 10.866 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.850 1.953 12.885 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.252 1.373 12.459 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.378 2.924 12.087 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.066 4.657 11.945 1.00 0.00 H new ATOM 215 N GLY A 15 0.726 0.536 9.674 1.00 0.00 N ATOM 216 CA GLY A 15 1.758 -0.480 9.835 1.00 0.00 C ATOM 217 C GLY A 15 2.198 -1.035 8.498 1.00 0.00 C ATOM 218 O GLY A 15 3.242 -0.661 7.976 1.00 0.00 O ATOM 0 H GLY A 15 1.071 1.417 9.292 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.616 -0.051 10.353 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.380 -1.289 10.460 1.00 0.00 H new ATOM 222 N SER A 16 1.392 -1.926 7.936 1.00 0.00 N ATOM 223 CA SER A 16 1.712 -2.525 6.644 1.00 0.00 C ATOM 224 C SER A 16 0.465 -3.127 6.033 1.00 0.00 C ATOM 225 O SER A 16 0.535 -4.012 5.183 1.00 0.00 O ATOM 226 CB SER A 16 2.767 -3.608 6.826 1.00 0.00 C ATOM 227 OG SER A 16 2.152 -4.782 7.339 1.00 0.00 O ATOM 0 H SER A 16 0.517 -2.249 8.350 1.00 0.00 H new ATOM 0 HA SER A 16 2.099 -1.753 5.980 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.251 -3.824 5.874 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.544 -3.263 7.508 1.00 0.00 H new ATOM 0 HG SER A 16 2.828 -5.481 7.456 1.00 0.00 H new ATOM 233 N VAL A 17 -0.678 -2.634 6.493 1.00 0.00 N ATOM 234 CA VAL A 17 -1.975 -3.109 6.017 1.00 0.00 C ATOM 235 C VAL A 17 -2.783 -1.968 5.423 1.00 0.00 C ATOM 236 O VAL A 17 -3.045 -0.964 6.081 1.00 0.00 O ATOM 237 CB VAL A 17 -2.780 -3.751 7.168 1.00 0.00 C ATOM 238 CG1 VAL A 17 -3.068 -2.712 8.265 1.00 0.00 C ATOM 239 CG2 VAL A 17 -4.098 -4.312 6.618 1.00 0.00 C ATOM 0 H VAL A 17 -0.735 -1.901 7.200 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.788 -3.857 5.247 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.194 -4.560 7.604 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.636 -3.180 9.069 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.127 -2.330 8.660 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.646 -1.889 7.844 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.667 -4.765 7.429 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.680 -3.504 6.174 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.884 -5.065 5.860 1.00 0.00 H new ATOM 249 N LEU A 18 -3.214 -2.154 4.182 1.00 0.00 N ATOM 250 CA LEU A 18 -4.046 -1.172 3.500 1.00 0.00 C ATOM 251 C LEU A 18 -5.474 -1.644 3.682 1.00 0.00 C ATOM 252 O LEU A 18 -5.760 -2.813 3.451 1.00 0.00 O ATOM 253 CB LEU A 18 -3.664 -1.121 2.007 1.00 0.00 C ATOM 254 CG LEU A 18 -4.601 -0.192 1.201 1.00 0.00 C ATOM 255 CD1 LEU A 18 -4.327 1.278 1.541 1.00 0.00 C ATOM 256 CD2 LEU A 18 -4.346 -0.409 -0.295 1.00 0.00 C ATOM 0 H LEU A 18 -2.999 -2.981 3.625 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.916 -0.167 3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.636 -0.774 1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.703 -2.127 1.588 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.635 -0.427 1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.996 1.916 0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.497 1.443 2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.293 1.521 1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.002 0.241 -0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.307 -0.174 -0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.548 -1.449 -0.551 1.00 0.00 H new ATOM 268 N THR A 19 -6.377 -0.757 4.077 1.00 0.00 N ATOM 269 CA THR A 19 -7.779 -1.122 4.270 1.00 0.00 C ATOM 270 C THR A 19 -8.615 -0.072 3.575 1.00 0.00 C ATOM 271 O THR A 19 -8.415 1.118 3.802 1.00 0.00 O ATOM 272 CB THR A 19 -8.145 -1.138 5.770 1.00 0.00 C ATOM 273 OG1 THR A 19 -7.393 -2.145 6.432 1.00 0.00 O ATOM 274 CG2 THR A 19 -9.639 -1.425 5.937 1.00 0.00 C ATOM 0 H THR A 19 -6.166 0.222 4.271 1.00 0.00 H new ATOM 0 HA THR A 19 -7.959 -2.118 3.865 1.00 0.00 H new ATOM 0 HB THR A 19 -7.915 -0.165 6.205 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.625 -2.153 7.384 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.891 -1.435 6.997 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.217 -0.650 5.434 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.874 -2.395 5.499 1.00 0.00 H new ATOM 282 N SER A 20 -9.534 -0.494 2.716 1.00 0.00 N ATOM 283 CA SER A 20 -10.358 0.463 1.989 1.00 0.00 C ATOM 284 C SER A 20 -11.648 -0.179 1.504 1.00 0.00 C ATOM 285 O SER A 20 -11.653 -1.318 1.035 1.00 0.00 O ATOM 286 CB SER A 20 -9.571 1.003 0.786 1.00 0.00 C ATOM 287 OG SER A 20 -10.138 2.237 0.369 1.00 0.00 O ATOM 0 H SER A 20 -9.726 -1.474 2.508 1.00 0.00 H new ATOM 0 HA SER A 20 -10.615 1.278 2.665 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.524 1.143 1.055 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.596 0.283 -0.032 1.00 0.00 H new ATOM 0 HG SER A 20 -11.048 2.316 0.725 1.00 0.00 H new ATOM 293 N THR A 21 -12.735 0.578 1.596 1.00 0.00 N ATOM 294 CA THR A 21 -14.031 0.103 1.137 1.00 0.00 C ATOM 295 C THR A 21 -14.108 0.287 -0.367 1.00 0.00 C ATOM 296 O THR A 21 -13.884 1.384 -0.872 1.00 0.00 O ATOM 297 CB THR A 21 -15.173 0.881 1.813 1.00 0.00 C ATOM 298 OG1 THR A 21 -14.946 0.912 3.215 1.00 0.00 O ATOM 299 CG2 THR A 21 -16.507 0.189 1.528 1.00 0.00 C ATOM 0 H THR A 21 -12.743 1.521 1.984 1.00 0.00 H new ATOM 0 HA THR A 21 -14.139 -0.950 1.398 1.00 0.00 H new ATOM 0 HB THR A 21 -15.206 1.898 1.421 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.669 1.408 3.653 1.00 0.00 H new ATOM 0 HG21 THR A 21 -17.314 0.743 2.008 1.00 0.00 H new ATOM 0 HG22 THR A 21 -16.678 0.158 0.452 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.481 -0.828 1.920 1.00 0.00 H new ATOM 307 N CYS A 22 -14.411 -0.795 -1.085 1.00 0.00 N ATOM 308 CA CYS A 22 -14.492 -0.749 -2.546 1.00 0.00 C ATOM 309 C CYS A 22 -15.842 -1.241 -3.038 1.00 0.00 C ATOM 310 O CYS A 22 -16.508 -2.040 -2.381 1.00 0.00 O ATOM 311 CB CYS A 22 -13.378 -1.606 -3.146 1.00 0.00 C ATOM 312 SG CYS A 22 -11.765 -0.987 -2.600 1.00 0.00 S ATOM 0 H CYS A 22 -14.604 -1.711 -0.681 1.00 0.00 H new ATOM 0 HA CYS A 22 -14.374 0.287 -2.864 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -13.501 -2.645 -2.840 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.436 -1.585 -4.234 1.00 0.00 H new ATOM 317 N GLU A 23 -16.234 -0.741 -4.202 1.00 0.00 N ATOM 318 CA GLU A 23 -17.507 -1.107 -4.805 1.00 0.00 C ATOM 319 C GLU A 23 -17.429 -2.502 -5.417 1.00 0.00 C ATOM 320 O GLU A 23 -16.613 -2.754 -6.304 1.00 0.00 O ATOM 321 CB GLU A 23 -17.863 -0.087 -5.897 1.00 0.00 C ATOM 322 CG GLU A 23 -17.884 1.360 -5.315 1.00 0.00 C ATOM 323 CD GLU A 23 -17.215 2.342 -6.288 1.00 0.00 C ATOM 324 OE1 GLU A 23 -17.398 2.179 -7.483 1.00 0.00 O ATOM 325 OE2 GLU A 23 -16.529 3.236 -5.817 1.00 0.00 O ATOM 0 H GLU A 23 -15.685 -0.078 -4.749 1.00 0.00 H new ATOM 0 HA GLU A 23 -18.276 -1.108 -4.032 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -17.138 -0.147 -6.708 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -18.837 -0.327 -6.322 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -18.913 1.668 -5.128 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -17.366 1.380 -4.356 1.00 0.00 H new ATOM 332 N ARG A 24 -18.295 -3.400 -4.955 1.00 0.00 N ATOM 333 CA ARG A 24 -18.316 -4.758 -5.489 1.00 0.00 C ATOM 334 C ARG A 24 -18.822 -4.742 -6.919 1.00 0.00 C ATOM 335 O ARG A 24 -19.574 -3.852 -7.312 1.00 0.00 O ATOM 336 CB ARG A 24 -19.212 -5.679 -4.649 1.00 0.00 C ATOM 337 CG ARG A 24 -18.670 -5.803 -3.202 1.00 0.00 C ATOM 338 CD ARG A 24 -19.117 -7.139 -2.544 1.00 0.00 C ATOM 339 NE ARG A 24 -17.940 -8.061 -2.486 1.00 0.00 N ATOM 340 CZ ARG A 24 -17.898 -9.031 -1.610 1.00 0.00 C ATOM 341 NH1 ARG A 24 -18.938 -9.287 -0.867 1.00 0.00 N ATOM 342 NH2 ARG A 24 -16.812 -9.744 -1.480 1.00 0.00 N ATOM 0 H ARG A 24 -18.981 -3.216 -4.223 1.00 0.00 H new ATOM 0 HA ARG A 24 -17.297 -5.143 -5.456 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -20.228 -5.286 -4.629 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -19.261 -6.666 -5.110 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -17.582 -5.747 -3.213 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -19.026 -4.964 -2.605 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -19.504 -6.956 -1.541 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -19.924 -7.592 -3.119 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.164 -7.932 -3.135 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -19.787 -8.730 -0.968 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -18.903 -10.044 -0.184 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -15.998 -9.544 -2.061 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -16.778 -10.501 -0.797 1.00 0.00 H new ATOM 356 N THR A 25 -18.406 -5.735 -7.696 1.00 0.00 N ATOM 357 CA THR A 25 -18.822 -5.839 -9.089 1.00 0.00 C ATOM 358 C THR A 25 -20.137 -6.602 -9.186 1.00 0.00 C ATOM 359 O THR A 25 -20.910 -6.410 -10.123 1.00 0.00 O ATOM 360 CB THR A 25 -17.757 -6.583 -9.915 1.00 0.00 C ATOM 361 OG1 THR A 25 -16.511 -5.914 -9.787 1.00 0.00 O ATOM 362 CG2 THR A 25 -18.171 -6.612 -11.386 1.00 0.00 C ATOM 0 H THR A 25 -17.781 -6.479 -7.385 1.00 0.00 H new ATOM 0 HA THR A 25 -18.948 -4.830 -9.482 1.00 0.00 H new ATOM 0 HB THR A 25 -17.664 -7.605 -9.548 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.831 -6.387 -10.311 1.00 0.00 H new ATOM 0 HG21 THR A 25 -17.414 -7.140 -11.967 1.00 0.00 H new ATOM 0 HG22 THR A 25 -19.127 -7.125 -11.485 1.00 0.00 H new ATOM 0 HG23 THR A 25 -18.267 -5.592 -11.757 1.00 0.00 H new ATOM 370 N ASN A 26 -20.381 -7.473 -8.203 1.00 0.00 N ATOM 371 CA ASN A 26 -21.607 -8.283 -8.165 1.00 0.00 C ATOM 372 C ASN A 26 -22.498 -7.832 -6.999 1.00 0.00 C ATOM 373 O ASN A 26 -23.675 -7.529 -7.185 1.00 0.00 O ATOM 374 CB ASN A 26 -21.221 -9.783 -8.018 1.00 0.00 C ATOM 375 CG ASN A 26 -21.995 -10.648 -9.025 1.00 0.00 C ATOM 376 OD1 ASN A 26 -22.609 -11.629 -8.657 1.00 0.00 O ATOM 377 ND2 ASN A 26 -21.985 -10.320 -10.288 1.00 0.00 N ATOM 0 H ASN A 26 -19.747 -7.637 -7.421 1.00 0.00 H new ATOM 0 HA ASN A 26 -22.168 -8.150 -9.090 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -20.149 -9.904 -8.176 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -21.434 -10.120 -7.003 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -22.493 -10.888 -10.966 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -21.469 -9.496 -10.597 1.00 0.00 H new ATOM 384 N GLY A 27 -21.928 -7.815 -5.798 1.00 0.00 N ATOM 385 CA GLY A 27 -22.675 -7.425 -4.610 1.00 0.00 C ATOM 386 C GLY A 27 -22.783 -5.916 -4.442 1.00 0.00 C ATOM 387 O GLY A 27 -23.028 -5.182 -5.398 1.00 0.00 O ATOM 0 H GLY A 27 -20.955 -8.066 -5.623 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -23.677 -7.852 -4.662 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -22.193 -7.849 -3.729 1.00 0.00 H new ATOM 391 N GLY A 28 -22.610 -5.474 -3.196 1.00 0.00 N ATOM 392 CA GLY A 28 -22.688 -4.054 -2.843 1.00 0.00 C ATOM 393 C GLY A 28 -21.325 -3.491 -2.503 1.00 0.00 C ATOM 394 O GLY A 28 -20.500 -3.272 -3.387 1.00 0.00 O ATOM 0 H GLY A 28 -22.413 -6.087 -2.405 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -23.117 -3.494 -3.674 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -23.358 -3.926 -1.993 1.00 0.00 H new ATOM 398 N TYR A 29 -21.090 -3.233 -1.214 1.00 0.00 N ATOM 399 CA TYR A 29 -19.812 -2.684 -0.753 1.00 0.00 C ATOM 400 C TYR A 29 -19.034 -3.747 0.018 1.00 0.00 C ATOM 401 O TYR A 29 -19.609 -4.499 0.804 1.00 0.00 O ATOM 402 CB TYR A 29 -20.065 -1.487 0.167 1.00 0.00 C ATOM 403 CG TYR A 29 -20.755 -0.378 -0.603 1.00 0.00 C ATOM 404 CD1 TYR A 29 -20.077 0.267 -1.660 1.00 0.00 C ATOM 405 CD2 TYR A 29 -22.070 0.020 -0.264 1.00 0.00 C ATOM 406 CE1 TYR A 29 -20.710 1.305 -2.376 1.00 0.00 C ATOM 407 CE2 TYR A 29 -22.702 1.058 -0.983 1.00 0.00 C ATOM 408 CZ TYR A 29 -22.021 1.701 -2.039 1.00 0.00 C ATOM 409 OH TYR A 29 -22.577 2.812 -2.640 1.00 0.00 O ATOM 0 H TYR A 29 -21.769 -3.396 -0.470 1.00 0.00 H new ATOM 0 HA TYR A 29 -19.233 -2.367 -1.621 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -20.681 -1.792 1.013 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -19.121 -1.125 0.575 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -19.073 -0.034 -1.921 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -22.591 -0.471 0.545 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -20.189 1.797 -3.184 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -23.706 1.360 -0.725 1.00 0.00 H new ATOM 0 HH TYR A 29 -23.486 2.948 -2.299 1.00 0.00 H new ATOM 419 N ASN A 30 -17.721 -3.799 -0.207 1.00 0.00 N ATOM 420 CA ASN A 30 -16.854 -4.770 0.474 1.00 0.00 C ATOM 421 C ASN A 30 -15.591 -4.081 0.973 1.00 0.00 C ATOM 422 O ASN A 30 -14.893 -3.415 0.208 1.00 0.00 O ATOM 423 CB ASN A 30 -16.481 -5.902 -0.493 1.00 0.00 C ATOM 424 CG ASN A 30 -15.422 -6.812 0.136 1.00 0.00 C ATOM 425 OD1 ASN A 30 -15.743 -7.838 0.704 1.00 0.00 O ATOM 426 ND2 ASN A 30 -14.165 -6.477 0.053 1.00 0.00 N ATOM 0 H ASN A 30 -17.231 -3.182 -0.855 1.00 0.00 H new ATOM 0 HA ASN A 30 -17.390 -5.188 1.326 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.368 -6.484 -0.742 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -16.103 -5.483 -1.425 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.449 -7.076 0.465 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.897 -5.616 -0.424 1.00 0.00 H new ATOM 433 N THR A 31 -15.302 -4.250 2.265 1.00 0.00 N ATOM 434 CA THR A 31 -14.116 -3.646 2.879 1.00 0.00 C ATOM 435 C THR A 31 -13.103 -4.712 3.254 1.00 0.00 C ATOM 436 O THR A 31 -13.160 -5.294 4.337 1.00 0.00 O ATOM 437 CB THR A 31 -14.495 -2.851 4.144 1.00 0.00 C ATOM 438 OG1 THR A 31 -15.590 -1.994 3.851 1.00 0.00 O ATOM 439 CG2 THR A 31 -13.300 -2.013 4.605 1.00 0.00 C ATOM 0 H THR A 31 -15.873 -4.800 2.907 1.00 0.00 H new ATOM 0 HA THR A 31 -13.678 -2.969 2.145 1.00 0.00 H new ATOM 0 HB THR A 31 -14.775 -3.545 4.937 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.259 -1.087 3.681 1.00 0.00 H new ATOM 0 HG21 THR A 31 -13.572 -1.453 5.499 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.460 -2.670 4.830 1.00 0.00 H new ATOM 0 HG23 THR A 31 -13.016 -1.319 3.814 1.00 0.00 H new ATOM 447 N SER A 32 -12.163 -4.949 2.343 1.00 0.00 N ATOM 448 CA SER A 32 -11.103 -5.932 2.555 1.00 0.00 C ATOM 449 C SER A 32 -9.788 -5.209 2.804 1.00 0.00 C ATOM 450 O SER A 32 -9.708 -3.988 2.671 1.00 0.00 O ATOM 451 CB SER A 32 -10.972 -6.832 1.322 1.00 0.00 C ATOM 452 OG SER A 32 -12.045 -7.763 1.307 1.00 0.00 O ATOM 0 H SER A 32 -12.114 -4.470 1.444 1.00 0.00 H new ATOM 0 HA SER A 32 -11.350 -6.548 3.419 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.985 -6.229 0.414 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.018 -7.359 1.341 1.00 0.00 H new ATOM 0 HG SER A 32 -12.022 -8.276 0.472 1.00 0.00 H new ATOM 458 N SER A 33 -8.757 -5.969 3.162 1.00 0.00 N ATOM 459 CA SER A 33 -7.439 -5.395 3.428 1.00 0.00 C ATOM 460 C SER A 33 -6.358 -6.214 2.741 1.00 0.00 C ATOM 461 O SER A 33 -6.535 -7.404 2.485 1.00 0.00 O ATOM 462 CB SER A 33 -7.176 -5.359 4.933 1.00 0.00 C ATOM 463 OG SER A 33 -7.204 -6.684 5.447 1.00 0.00 O ATOM 0 H SER A 33 -8.807 -6.982 3.275 1.00 0.00 H new ATOM 0 HA SER A 33 -7.418 -4.379 3.035 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.208 -4.899 5.134 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.929 -4.748 5.431 1.00 0.00 H new ATOM 0 HG SER A 33 -7.034 -6.664 6.412 1.00 0.00 H new ATOM 469 N ILE A 34 -5.235 -5.565 2.436 1.00 0.00 N ATOM 470 CA ILE A 34 -4.117 -6.235 1.768 1.00 0.00 C ATOM 471 C ILE A 34 -2.796 -5.770 2.371 1.00 0.00 C ATOM 472 O ILE A 34 -2.539 -4.573 2.496 1.00 0.00 O ATOM 473 CB ILE A 34 -4.134 -5.938 0.248 1.00 0.00 C ATOM 474 CG1 ILE A 34 -2.937 -6.601 -0.459 1.00 0.00 C ATOM 475 CG2 ILE A 34 -4.083 -4.429 0.012 1.00 0.00 C ATOM 476 CD1 ILE A 34 -2.974 -8.129 -0.267 1.00 0.00 C ATOM 0 H ILE A 34 -5.074 -4.579 2.640 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.221 -7.310 1.914 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.056 -6.348 -0.165 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.957 -6.362 -1.522 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.005 -6.201 -0.060 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.095 -4.228 -1.059 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.948 -3.958 0.480 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.170 -4.023 0.447 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.121 -8.580 -0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.930 -8.363 0.797 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.897 -8.526 -0.688 1.00 0.00 H new ATOM 488 N ASP A 35 -1.965 -6.733 2.753 1.00 0.00 N ATOM 489 CA ASP A 35 -0.672 -6.423 3.349 1.00 0.00 C ATOM 490 C ASP A 35 0.316 -5.987 2.277 1.00 0.00 C ATOM 491 O ASP A 35 0.647 -6.753 1.373 1.00 0.00 O ATOM 492 CB ASP A 35 -0.124 -7.647 4.088 1.00 0.00 C ATOM 493 CG ASP A 35 -0.143 -8.863 3.159 1.00 0.00 C ATOM 494 OD1 ASP A 35 -1.207 -9.188 2.661 1.00 0.00 O ATOM 495 OD2 ASP A 35 0.908 -9.451 2.965 1.00 0.00 O ATOM 0 H ASP A 35 -2.162 -7.730 2.661 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.807 -5.607 4.059 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.893 -7.453 4.428 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.724 -7.846 4.976 1.00 0.00 H new ATOM 500 N LEU A 36 0.793 -4.753 2.390 1.00 0.00 N ATOM 501 CA LEU A 36 1.753 -4.229 1.431 1.00 0.00 C ATOM 502 C LEU A 36 3.126 -4.827 1.699 1.00 0.00 C ATOM 503 O LEU A 36 4.064 -4.625 0.931 1.00 0.00 O ATOM 504 CB LEU A 36 1.849 -2.704 1.563 1.00 0.00 C ATOM 505 CG LEU A 36 0.474 -2.044 1.350 1.00 0.00 C ATOM 506 CD1 LEU A 36 0.513 -0.609 1.894 1.00 0.00 C ATOM 507 CD2 LEU A 36 0.123 -2.006 -0.149 1.00 0.00 C ATOM 0 H LEU A 36 0.532 -4.102 3.131 1.00 0.00 H new ATOM 0 HA LEU A 36 1.421 -4.492 0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.232 -2.444 2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.560 -2.316 0.833 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.282 -2.626 1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.458 -0.137 1.746 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.748 -0.630 2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.277 -0.040 1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.852 -1.537 -0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.879 -1.432 -0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.093 -3.022 -0.542 1.00 0.00 H new ATOM 519 N ASN A 37 3.234 -5.566 2.799 1.00 0.00 N ATOM 520 CA ASN A 37 4.499 -6.182 3.169 1.00 0.00 C ATOM 521 C ASN A 37 4.870 -7.313 2.226 1.00 0.00 C ATOM 522 O ASN A 37 6.032 -7.702 2.161 1.00 0.00 O ATOM 523 CB ASN A 37 4.438 -6.715 4.603 1.00 0.00 C ATOM 524 CG ASN A 37 5.769 -7.395 4.950 1.00 0.00 C ATOM 525 OD1 ASN A 37 6.867 -6.689 4.965 1.00 0.00 O flip ATOM 526 ND2 ASN A 37 5.809 -8.583 5.197 1.00 0.00 N flip ATOM 0 H ASN A 37 2.466 -5.751 3.444 1.00 0.00 H new ATOM 0 HA ASN A 37 5.266 -5.410 3.098 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.242 -5.899 5.298 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.617 -7.425 4.705 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.952 -9.135 5.186 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.700 -9.029 5.416 1.00 0.00 H new ATOM 533 N SER A 38 3.897 -7.867 1.512 1.00 0.00 N ATOM 534 CA SER A 38 4.171 -8.976 0.604 1.00 0.00 C ATOM 535 C SER A 38 4.498 -8.481 -0.801 1.00 0.00 C ATOM 536 O SER A 38 4.706 -9.286 -1.708 1.00 0.00 O ATOM 537 CB SER A 38 2.941 -9.882 0.541 1.00 0.00 C ATOM 538 OG SER A 38 3.103 -10.827 -0.507 1.00 0.00 O ATOM 0 H SER A 38 2.921 -7.571 1.542 1.00 0.00 H new ATOM 0 HA SER A 38 5.035 -9.523 0.982 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.806 -10.397 1.492 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.045 -9.285 0.372 1.00 0.00 H new ATOM 0 HG SER A 38 3.961 -10.675 -0.955 1.00 0.00 H new ATOM 544 N VAL A 39 4.530 -7.159 -0.996 1.00 0.00 N ATOM 545 CA VAL A 39 4.819 -6.599 -2.324 1.00 0.00 C ATOM 546 C VAL A 39 5.669 -5.327 -2.234 1.00 0.00 C ATOM 547 O VAL A 39 5.837 -4.625 -3.226 1.00 0.00 O ATOM 548 CB VAL A 39 3.503 -6.274 -3.074 1.00 0.00 C ATOM 549 CG1 VAL A 39 2.833 -7.572 -3.534 1.00 0.00 C ATOM 550 CG2 VAL A 39 2.550 -5.525 -2.139 1.00 0.00 C ATOM 0 H VAL A 39 4.363 -6.466 -0.267 1.00 0.00 H new ATOM 0 HA VAL A 39 5.382 -7.354 -2.872 1.00 0.00 H new ATOM 0 HB VAL A 39 3.733 -5.654 -3.941 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.908 -7.337 -4.061 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.504 -8.111 -4.202 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.609 -8.193 -2.667 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.625 -5.297 -2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.328 -6.147 -1.272 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.018 -4.597 -1.810 1.00 0.00 H new ATOM 560 N ILE A 40 6.216 -5.040 -1.050 1.00 0.00 N ATOM 561 CA ILE A 40 7.065 -3.848 -0.861 1.00 0.00 C ATOM 562 C ILE A 40 8.314 -4.217 -0.048 1.00 0.00 C ATOM 563 O ILE A 40 8.219 -4.915 0.953 1.00 0.00 O ATOM 564 CB ILE A 40 6.288 -2.718 -0.126 1.00 0.00 C ATOM 565 CG1 ILE A 40 5.134 -2.181 -1.012 1.00 0.00 C ATOM 566 CG2 ILE A 40 7.235 -1.577 0.259 1.00 0.00 C ATOM 567 CD1 ILE A 40 5.620 -1.159 -2.053 1.00 0.00 C ATOM 0 H ILE A 40 6.091 -5.607 -0.211 1.00 0.00 H new ATOM 0 HA ILE A 40 7.359 -3.485 -1.846 1.00 0.00 H new ATOM 0 HB ILE A 40 5.859 -3.137 0.784 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.654 -3.015 -1.523 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.378 -1.718 -0.378 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.674 -0.796 0.772 1.00 0.00 H new ATOM 0 HG22 ILE A 40 8.014 -1.958 0.920 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.692 -1.164 -0.640 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.774 -0.814 -2.647 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.076 -0.310 -1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.356 -1.627 -2.707 1.00 0.00 H new ATOM 579 N ALA A 41 9.486 -3.737 -0.494 1.00 0.00 N ATOM 580 CA ALA A 41 10.768 -4.020 0.186 1.00 0.00 C ATOM 581 C ALA A 41 11.491 -2.718 0.563 1.00 0.00 C ATOM 582 O ALA A 41 11.337 -1.701 -0.109 1.00 0.00 O ATOM 583 CB ALA A 41 11.654 -4.844 -0.744 1.00 0.00 C ATOM 0 H ALA A 41 9.576 -3.150 -1.323 1.00 0.00 H new ATOM 0 HA ALA A 41 10.563 -4.575 1.102 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.602 -5.057 -0.250 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.153 -5.781 -0.988 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.841 -4.283 -1.660 1.00 0.00 H new ATOM 589 N ALA A 42 12.282 -2.758 1.648 1.00 0.00 N ATOM 590 CA ALA A 42 13.036 -1.575 2.110 1.00 0.00 C ATOM 591 C ALA A 42 14.530 -1.741 1.853 1.00 0.00 C ATOM 592 O ALA A 42 15.177 -2.607 2.444 1.00 0.00 O ATOM 593 CB ALA A 42 12.838 -1.362 3.606 1.00 0.00 C ATOM 0 H ALA A 42 12.417 -3.591 2.221 1.00 0.00 H new ATOM 0 HA ALA A 42 12.658 -0.718 1.553 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.402 -0.486 3.926 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.779 -1.209 3.815 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.191 -2.239 4.148 1.00 0.00 H new ATOM 599 N VAL A 43 15.078 -0.902 0.974 1.00 0.00 N ATOM 600 CA VAL A 43 16.508 -0.948 0.646 1.00 0.00 C ATOM 601 C VAL A 43 17.122 0.444 0.742 1.00 0.00 C ATOM 602 O VAL A 43 16.824 1.319 -0.070 1.00 0.00 O ATOM 603 CB VAL A 43 16.727 -1.480 -0.780 1.00 0.00 C ATOM 604 CG1 VAL A 43 18.227 -1.546 -1.080 1.00 0.00 C ATOM 605 CG2 VAL A 43 16.122 -2.881 -0.892 1.00 0.00 C ATOM 0 H VAL A 43 14.556 -0.182 0.475 1.00 0.00 H new ATOM 0 HA VAL A 43 16.987 -1.616 1.362 1.00 0.00 H new ATOM 0 HB VAL A 43 16.246 -0.813 -1.496 1.00 0.00 H new ATOM 0 HG11 VAL A 43 18.380 -1.923 -2.091 1.00 0.00 H new ATOM 0 HG12 VAL A 43 18.659 -0.549 -0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 43 18.712 -2.213 -0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.274 -3.263 -1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.606 -3.545 -0.176 1.00 0.00 H new ATOM 0 HG23 VAL A 43 15.054 -2.834 -0.679 1.00 0.00 H new ATOM 615 N ASP A 44 17.969 0.640 1.751 1.00 0.00 N ATOM 616 CA ASP A 44 18.624 1.928 1.967 1.00 0.00 C ATOM 617 C ASP A 44 17.596 3.033 2.174 1.00 0.00 C ATOM 618 O ASP A 44 17.866 4.202 1.898 1.00 0.00 O ATOM 619 CB ASP A 44 19.543 2.280 0.785 1.00 0.00 C ATOM 620 CG ASP A 44 20.811 1.426 0.846 1.00 0.00 C ATOM 621 OD1 ASP A 44 20.696 0.254 1.163 1.00 0.00 O ATOM 622 OD2 ASP A 44 21.874 1.961 0.579 1.00 0.00 O ATOM 0 H ASP A 44 18.218 -0.077 2.432 1.00 0.00 H new ATOM 0 HA ASP A 44 19.231 1.844 2.868 1.00 0.00 H new ATOM 0 HB2 ASP A 44 19.022 2.108 -0.157 1.00 0.00 H new ATOM 0 HB3 ASP A 44 19.804 3.338 0.817 1.00 0.00 H new ATOM 627 N GLY A 45 16.419 2.666 2.674 1.00 0.00 N ATOM 628 CA GLY A 45 15.373 3.639 2.926 1.00 0.00 C ATOM 629 C GLY A 45 14.583 3.966 1.677 1.00 0.00 C ATOM 630 O GLY A 45 14.215 5.118 1.450 1.00 0.00 O ATOM 0 H GLY A 45 16.171 1.705 2.910 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.698 3.254 3.690 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.817 4.552 3.323 1.00 0.00 H new ATOM 634 N SER A 46 14.320 2.946 0.861 1.00 0.00 N ATOM 635 CA SER A 46 13.565 3.128 -0.382 1.00 0.00 C ATOM 636 C SER A 46 12.557 2.002 -0.565 1.00 0.00 C ATOM 637 O SER A 46 12.921 0.825 -0.562 1.00 0.00 O ATOM 638 CB SER A 46 14.525 3.141 -1.573 1.00 0.00 C ATOM 639 OG SER A 46 15.349 4.296 -1.501 1.00 0.00 O ATOM 0 H SER A 46 14.617 1.986 1.036 1.00 0.00 H new ATOM 0 HA SER A 46 13.032 4.077 -0.326 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.140 2.241 -1.569 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.963 3.139 -2.507 1.00 0.00 H new ATOM 0 HG SER A 46 15.966 4.306 -2.262 1.00 0.00 H new ATOM 645 N LEU A 47 11.285 2.367 -0.727 1.00 0.00 N ATOM 646 CA LEU A 47 10.225 1.377 -0.917 1.00 0.00 C ATOM 647 C LEU A 47 10.079 1.033 -2.397 1.00 0.00 C ATOM 648 O LEU A 47 9.796 1.904 -3.221 1.00 0.00 O ATOM 649 CB LEU A 47 8.895 1.927 -0.394 1.00 0.00 C ATOM 650 CG LEU A 47 9.001 2.253 1.104 1.00 0.00 C ATOM 651 CD1 LEU A 47 7.671 2.853 1.574 1.00 0.00 C ATOM 652 CD2 LEU A 47 9.314 0.977 1.917 1.00 0.00 C ATOM 0 H LEU A 47 10.965 3.335 -0.731 1.00 0.00 H new ATOM 0 HA LEU A 47 10.491 0.476 -0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.622 2.824 -0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.103 1.197 -0.558 1.00 0.00 H new ATOM 0 HG LEU A 47 9.810 2.966 1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.733 3.089 2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.464 3.764 1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.869 2.134 1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.385 1.228 2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.518 0.247 1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.260 0.554 1.580 1.00 0.00 H new ATOM 664 N LYS A 48 10.272 -0.246 -2.725 1.00 0.00 N ATOM 665 CA LYS A 48 10.163 -0.724 -4.111 1.00 0.00 C ATOM 666 C LYS A 48 9.145 -1.859 -4.194 1.00 0.00 C ATOM 667 O LYS A 48 9.034 -2.665 -3.274 1.00 0.00 O ATOM 668 CB LYS A 48 11.531 -1.228 -4.592 1.00 0.00 C ATOM 669 CG LYS A 48 12.469 -0.039 -4.876 1.00 0.00 C ATOM 670 CD LYS A 48 12.046 0.704 -6.173 1.00 0.00 C ATOM 671 CE LYS A 48 13.254 1.412 -6.806 1.00 0.00 C ATOM 672 NZ LYS A 48 13.729 2.495 -5.902 1.00 0.00 N ATOM 0 H LYS A 48 10.505 -0.974 -2.050 1.00 0.00 H new ATOM 0 HA LYS A 48 9.834 0.099 -4.745 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.974 -1.877 -3.836 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.409 -1.827 -5.494 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.451 0.653 -4.034 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.494 -0.395 -4.974 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.620 -0.005 -6.883 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.268 1.433 -5.944 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.056 0.695 -6.984 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.978 1.828 -7.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.491 3.027 -6.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.940 3.137 -5.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.088 2.078 -5.019 1.00 0.00 H new ATOM 686 N TRP A 49 8.406 -1.915 -5.301 1.00 0.00 N ATOM 687 CA TRP A 49 7.401 -2.958 -5.485 1.00 0.00 C ATOM 688 C TRP A 49 8.059 -4.323 -5.614 1.00 0.00 C ATOM 689 O TRP A 49 9.255 -4.457 -5.361 1.00 0.00 O ATOM 690 CB TRP A 49 6.546 -2.657 -6.725 1.00 0.00 C ATOM 691 CG TRP A 49 5.636 -1.520 -6.405 1.00 0.00 C ATOM 692 CD1 TRP A 49 5.731 -0.273 -6.918 1.00 0.00 C ATOM 693 CD2 TRP A 49 4.509 -1.507 -5.489 1.00 0.00 C ATOM 694 NE1 TRP A 49 4.741 0.514 -6.359 1.00 0.00 N ATOM 695 CE2 TRP A 49 3.959 -0.201 -5.477 1.00 0.00 C ATOM 696 CE3 TRP A 49 3.913 -2.497 -4.667 1.00 0.00 C ATOM 697 CZ2 TRP A 49 2.861 0.120 -4.677 1.00 0.00 C ATOM 698 CZ3 TRP A 49 2.794 -2.180 -3.859 1.00 0.00 C ATOM 699 CH2 TRP A 49 2.271 -0.868 -3.863 1.00 0.00 C ATOM 0 H TRP A 49 8.483 -1.257 -6.076 1.00 0.00 H new ATOM 0 HA TRP A 49 6.755 -2.973 -4.607 1.00 0.00 H new ATOM 0 HB2 TRP A 49 7.183 -2.406 -7.573 1.00 0.00 H new ATOM 0 HB3 TRP A 49 5.968 -3.536 -7.010 1.00 0.00 H new ATOM 0 HD1 TRP A 49 6.460 0.055 -7.645 1.00 0.00 H new ATOM 0 HE1 TRP A 49 4.606 1.502 -6.573 1.00 0.00 H new ATOM 0 HE3 TRP A 49 4.315 -3.499 -4.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.464 1.124 -4.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 2.341 -2.941 -3.240 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.421 -0.622 -3.244 1.00 0.00 H new ATOM 710 N GLN A 50 7.260 -5.337 -5.985 1.00 0.00 N ATOM 711 CA GLN A 50 7.752 -6.717 -6.126 1.00 0.00 C ATOM 712 C GLN A 50 8.836 -7.009 -5.094 1.00 0.00 C ATOM 713 O GLN A 50 9.978 -7.316 -5.430 1.00 0.00 O ATOM 714 CB GLN A 50 8.287 -6.967 -7.542 1.00 0.00 C ATOM 715 CG GLN A 50 9.304 -5.888 -7.935 1.00 0.00 C ATOM 716 CD GLN A 50 10.051 -6.331 -9.194 1.00 0.00 C ATOM 717 OE1 GLN A 50 9.861 -5.773 -10.255 1.00 0.00 O ATOM 718 NE2 GLN A 50 10.898 -7.322 -9.119 1.00 0.00 N ATOM 0 H GLN A 50 6.268 -5.226 -6.193 1.00 0.00 H new ATOM 0 HA GLN A 50 6.913 -7.391 -5.952 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.755 -7.950 -7.591 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.461 -6.971 -8.253 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.795 -4.941 -8.115 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.008 -5.722 -7.120 1.00 0.00 H new ATOM 0 HE21 GLN A 50 11.057 -7.790 -8.227 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.400 -7.628 -9.952 1.00 0.00 H new ATOM 727 N GLY A 51 8.453 -6.923 -3.830 1.00 0.00 N ATOM 728 CA GLY A 51 9.382 -7.173 -2.749 1.00 0.00 C ATOM 729 C GLY A 51 8.676 -7.395 -1.435 1.00 0.00 C ATOM 730 O GLY A 51 7.447 -7.426 -1.376 1.00 0.00 O ATOM 0 H GLY A 51 7.508 -6.683 -3.532 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.988 -8.047 -2.987 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.065 -6.328 -2.655 1.00 0.00 H new ATOM 734 N SER A 52 9.458 -7.558 -0.375 1.00 0.00 N ATOM 735 CA SER A 52 8.896 -7.792 0.948 1.00 0.00 C ATOM 736 C SER A 52 9.912 -7.437 2.032 1.00 0.00 C ATOM 737 O SER A 52 11.045 -7.055 1.739 1.00 0.00 O ATOM 738 CB SER A 52 8.484 -9.267 1.069 1.00 0.00 C ATOM 739 OG SER A 52 9.461 -10.077 0.430 1.00 0.00 O ATOM 0 H SER A 52 10.477 -7.533 -0.405 1.00 0.00 H new ATOM 0 HA SER A 52 8.020 -7.157 1.082 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.392 -9.547 2.118 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.508 -9.423 0.610 1.00 0.00 H new ATOM 0 HG SER A 52 9.204 -11.020 0.505 1.00 0.00 H new ATOM 745 N ASN A 53 9.496 -7.589 3.285 1.00 0.00 N ATOM 746 CA ASN A 53 10.372 -7.307 4.422 1.00 0.00 C ATOM 747 C ASN A 53 10.746 -5.810 4.472 1.00 0.00 C ATOM 748 O ASN A 53 11.919 -5.456 4.594 1.00 0.00 O ATOM 749 CB ASN A 53 11.641 -8.219 4.326 1.00 0.00 C ATOM 750 CG ASN A 53 11.781 -9.106 5.572 1.00 0.00 C ATOM 751 OD1 ASN A 53 11.988 -8.551 6.733 1.00 0.00 O flip ATOM 752 ND2 ASN A 53 11.702 -10.316 5.482 1.00 0.00 N flip ATOM 0 H ASN A 53 8.561 -7.905 3.541 1.00 0.00 H new ATOM 0 HA ASN A 53 9.849 -7.531 5.352 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.576 -8.845 3.436 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.531 -7.599 4.216 1.00 0.00 H new ATOM 0 HD21 ASN A 53 11.540 -10.750 4.573 1.00 0.00 H new ATOM 0 HD22 ASN A 53 11.798 -10.897 6.315 1.00 0.00 H new ATOM 759 N PHE A 54 9.734 -4.929 4.403 1.00 0.00 N ATOM 760 CA PHE A 54 9.969 -3.473 4.464 1.00 0.00 C ATOM 761 C PHE A 54 9.473 -2.912 5.791 1.00 0.00 C ATOM 762 O PHE A 54 10.098 -2.036 6.379 1.00 0.00 O ATOM 763 CB PHE A 54 9.267 -2.759 3.275 1.00 0.00 C ATOM 764 CG PHE A 54 7.870 -2.288 3.633 1.00 0.00 C ATOM 765 CD1 PHE A 54 7.689 -1.081 4.339 1.00 0.00 C ATOM 766 CD2 PHE A 54 6.756 -3.046 3.243 1.00 0.00 C ATOM 767 CE1 PHE A 54 6.388 -0.636 4.658 1.00 0.00 C ATOM 768 CE2 PHE A 54 5.450 -2.603 3.553 1.00 0.00 C ATOM 769 CZ PHE A 54 5.267 -1.398 4.265 1.00 0.00 C ATOM 0 H PHE A 54 8.754 -5.194 4.306 1.00 0.00 H new ATOM 0 HA PHE A 54 11.041 -3.291 4.390 1.00 0.00 H new ATOM 0 HB2 PHE A 54 9.867 -1.905 2.961 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.212 -3.440 2.426 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.547 -0.496 4.636 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.897 -3.971 2.704 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.251 0.287 5.202 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.594 -3.185 3.246 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.271 -1.060 4.509 1.00 0.00 H new ATOM 779 N ILE A 55 8.356 -3.438 6.263 1.00 0.00 N ATOM 780 CA ILE A 55 7.798 -2.980 7.524 1.00 0.00 C ATOM 781 C ILE A 55 8.765 -3.283 8.652 1.00 0.00 C ATOM 782 O ILE A 55 8.913 -2.499 9.589 1.00 0.00 O ATOM 783 CB ILE A 55 6.451 -3.668 7.819 1.00 0.00 C ATOM 784 CG1 ILE A 55 5.877 -3.178 9.167 1.00 0.00 C ATOM 785 CG2 ILE A 55 6.654 -5.184 7.879 1.00 0.00 C ATOM 786 CD1 ILE A 55 5.728 -1.642 9.173 1.00 0.00 C ATOM 0 H ILE A 55 7.823 -4.174 5.799 1.00 0.00 H new ATOM 0 HA ILE A 55 7.633 -1.905 7.449 1.00 0.00 H new ATOM 0 HB ILE A 55 5.749 -3.418 7.023 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.907 -3.643 9.345 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.533 -3.487 9.981 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.701 -5.671 8.088 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.040 -5.537 6.923 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.365 -5.425 8.669 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.322 -1.320 10.132 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.704 -1.181 9.018 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.053 -1.339 8.373 1.00 0.00 H new ATOM 798 N GLU A 56 9.422 -4.426 8.549 1.00 0.00 N ATOM 799 CA GLU A 56 10.382 -4.837 9.558 1.00 0.00 C ATOM 800 C GLU A 56 11.406 -3.731 9.792 1.00 0.00 C ATOM 801 O GLU A 56 11.976 -3.625 10.878 1.00 0.00 O ATOM 802 CB GLU A 56 11.094 -6.117 9.091 1.00 0.00 C ATOM 803 CG GLU A 56 10.135 -7.343 9.186 1.00 0.00 C ATOM 804 CD GLU A 56 10.488 -8.210 10.403 1.00 0.00 C ATOM 805 OE1 GLU A 56 11.299 -9.109 10.247 1.00 0.00 O ATOM 806 OE2 GLU A 56 9.943 -7.959 11.465 1.00 0.00 O ATOM 0 H GLU A 56 9.308 -5.084 7.778 1.00 0.00 H new ATOM 0 HA GLU A 56 9.858 -5.031 10.494 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.437 -5.995 8.063 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.979 -6.292 9.703 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.103 -7.000 9.264 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.205 -7.938 8.276 1.00 0.00 H new ATOM 813 N ALA A 57 11.648 -2.918 8.757 1.00 0.00 N ATOM 814 CA ALA A 57 12.625 -1.828 8.841 1.00 0.00 C ATOM 815 C ALA A 57 11.980 -0.465 8.600 1.00 0.00 C ATOM 816 O ALA A 57 12.665 0.475 8.198 1.00 0.00 O ATOM 817 CB ALA A 57 13.717 -2.054 7.807 1.00 0.00 C ATOM 0 H ALA A 57 11.181 -2.995 7.853 1.00 0.00 H new ATOM 0 HA ALA A 57 13.042 -1.829 9.848 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.446 -1.246 7.865 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.213 -3.005 8.003 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.276 -2.073 6.810 1.00 0.00 H new ATOM 823 N CYS A 58 10.666 -0.345 8.833 1.00 0.00 N ATOM 824 CA CYS A 58 9.979 0.939 8.623 1.00 0.00 C ATOM 825 C CYS A 58 8.913 1.185 9.685 1.00 0.00 C ATOM 826 O CYS A 58 8.484 0.263 10.378 1.00 0.00 O ATOM 827 CB CYS A 58 9.342 0.979 7.231 1.00 0.00 C ATOM 828 SG CYS A 58 10.597 0.565 5.999 1.00 0.00 S ATOM 0 H CYS A 58 10.067 -1.103 9.160 1.00 0.00 H new ATOM 0 HA CYS A 58 10.726 1.729 8.703 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.513 0.274 7.176 1.00 0.00 H new ATOM 0 HB3 CYS A 58 8.932 1.969 7.033 1.00 0.00 H new ATOM 833 N ARG A 59 8.494 2.451 9.808 1.00 0.00 N ATOM 834 CA ARG A 59 7.478 2.834 10.792 1.00 0.00 C ATOM 835 C ARG A 59 6.663 4.033 10.307 1.00 0.00 C ATOM 836 O ARG A 59 6.883 4.547 9.210 1.00 0.00 O ATOM 837 CB ARG A 59 8.145 3.173 12.141 1.00 0.00 C ATOM 838 CG ARG A 59 9.078 4.426 12.033 1.00 0.00 C ATOM 839 CD ARG A 59 10.552 4.008 11.963 1.00 0.00 C ATOM 840 NE ARG A 59 11.400 5.221 11.762 1.00 0.00 N ATOM 841 CZ ARG A 59 11.572 6.073 12.739 1.00 0.00 C ATOM 842 NH1 ARG A 59 11.106 5.807 13.928 1.00 0.00 N ATOM 843 NH2 ARG A 59 12.211 7.191 12.525 1.00 0.00 N ATOM 0 H ARG A 59 8.842 3.223 9.240 1.00 0.00 H new ATOM 0 HA ARG A 59 6.803 1.988 10.922 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.375 3.357 12.890 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.726 2.317 12.484 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.817 5.003 11.146 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.921 5.076 12.894 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.841 3.496 12.881 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.704 3.304 11.145 1.00 0.00 H new ATOM 0 HE ARG A 59 11.846 5.385 10.860 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.607 4.934 14.096 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.241 6.472 14.689 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.576 7.400 11.596 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.345 7.856 13.287 1.00 0.00 H new ATOM 857 N ASN A 60 5.732 4.480 11.148 1.00 0.00 N ATOM 858 CA ASN A 60 4.889 5.629 10.823 1.00 0.00 C ATOM 859 C ASN A 60 4.362 5.544 9.396 1.00 0.00 C ATOM 860 O ASN A 60 4.701 6.373 8.554 1.00 0.00 O ATOM 861 CB ASN A 60 5.687 6.931 10.992 1.00 0.00 C ATOM 862 CG ASN A 60 5.889 7.227 12.479 1.00 0.00 C ATOM 863 OD1 ASN A 60 4.937 7.310 13.228 1.00 0.00 O ATOM 864 ND2 ASN A 60 7.098 7.394 12.939 1.00 0.00 N ATOM 0 H ASN A 60 5.542 4.064 12.060 1.00 0.00 H new ATOM 0 HA ASN A 60 4.040 5.623 11.507 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.653 6.843 10.495 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.158 7.757 10.516 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.244 7.594 13.928 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.897 7.324 12.309 1.00 0.00 H new ATOM 871 N THR A 61 3.514 4.552 9.130 1.00 0.00 N ATOM 872 CA THR A 61 2.926 4.379 7.802 1.00 0.00 C ATOM 873 C THR A 61 1.502 4.927 7.805 1.00 0.00 C ATOM 874 O THR A 61 0.757 4.721 8.763 1.00 0.00 O ATOM 875 CB THR A 61 2.889 2.880 7.428 1.00 0.00 C ATOM 876 OG1 THR A 61 2.200 2.176 8.442 1.00 0.00 O ATOM 877 CG2 THR A 61 4.321 2.304 7.304 1.00 0.00 C ATOM 0 H THR A 61 3.219 3.856 9.815 1.00 0.00 H new ATOM 0 HA THR A 61 3.532 4.917 7.073 1.00 0.00 H new ATOM 0 HB THR A 61 2.385 2.771 6.468 1.00 0.00 H new ATOM 0 HG1 THR A 61 2.835 1.894 9.133 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.267 1.248 7.040 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.865 2.844 6.529 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.841 2.414 8.256 1.00 0.00 H new ATOM 885 N GLN A 62 1.124 5.628 6.738 1.00 0.00 N ATOM 886 CA GLN A 62 -0.220 6.201 6.652 1.00 0.00 C ATOM 887 C GLN A 62 -0.628 6.452 5.202 1.00 0.00 C ATOM 888 O GLN A 62 0.179 6.316 4.282 1.00 0.00 O ATOM 889 CB GLN A 62 -0.281 7.528 7.422 1.00 0.00 C ATOM 890 CG GLN A 62 0.810 8.517 6.913 1.00 0.00 C ATOM 891 CD GLN A 62 0.259 9.950 6.892 1.00 0.00 C ATOM 892 OE1 GLN A 62 -0.403 10.374 7.819 1.00 0.00 O ATOM 893 NE2 GLN A 62 0.500 10.713 5.862 1.00 0.00 N ATOM 0 H GLN A 62 1.719 5.812 5.930 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.911 5.481 7.092 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.267 7.976 7.304 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.141 7.342 8.487 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.687 8.466 7.559 1.00 0.00 H new ATOM 0 HG3 GLN A 62 1.134 8.229 5.913 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.055 10.358 5.083 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.133 11.664 5.835 1.00 0.00 H new ATOM 902 N LEU A 63 -1.887 6.843 5.019 1.00 0.00 N ATOM 903 CA LEU A 63 -2.422 7.148 3.692 1.00 0.00 C ATOM 904 C LEU A 63 -2.126 8.603 3.347 1.00 0.00 C ATOM 905 O LEU A 63 -2.468 9.504 4.112 1.00 0.00 O ATOM 906 CB LEU A 63 -3.941 6.931 3.692 1.00 0.00 C ATOM 907 CG LEU A 63 -4.513 7.035 2.252 1.00 0.00 C ATOM 908 CD1 LEU A 63 -4.384 5.688 1.517 1.00 0.00 C ATOM 909 CD2 LEU A 63 -5.991 7.446 2.319 1.00 0.00 C ATOM 0 H LEU A 63 -2.560 6.957 5.777 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.956 6.494 2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.173 5.952 4.110 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.419 7.672 4.332 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.945 7.785 1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.791 5.783 0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.333 5.404 1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.937 4.922 2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.394 7.520 1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.552 6.698 2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.078 8.412 2.816 1.00 0.00 H new ATOM 921 N ALA A 64 -1.496 8.831 2.194 1.00 0.00 N ATOM 922 CA ALA A 64 -1.156 10.191 1.753 1.00 0.00 C ATOM 923 C ALA A 64 -1.813 10.503 0.409 1.00 0.00 C ATOM 924 O ALA A 64 -1.718 9.723 -0.535 1.00 0.00 O ATOM 925 CB ALA A 64 0.358 10.317 1.636 1.00 0.00 C ATOM 0 H ALA A 64 -1.210 8.096 1.548 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.528 10.906 2.487 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.615 11.325 1.309 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.815 10.123 2.606 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.728 9.594 0.909 1.00 0.00 H new ATOM 931 N GLY A 65 -2.473 11.657 0.334 1.00 0.00 N ATOM 932 CA GLY A 65 -3.130 12.078 -0.894 1.00 0.00 C ATOM 933 C GLY A 65 -4.417 11.321 -1.172 1.00 0.00 C ATOM 934 O GLY A 65 -5.471 11.927 -1.355 1.00 0.00 O ATOM 0 H GLY A 65 -2.565 12.313 1.109 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.348 13.144 -0.835 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.446 11.939 -1.731 1.00 0.00 H new ATOM 938 N SER A 66 -4.326 9.994 -1.186 1.00 0.00 N ATOM 939 CA SER A 66 -5.494 9.141 -1.432 1.00 0.00 C ATOM 940 C SER A 66 -5.059 7.720 -1.770 1.00 0.00 C ATOM 941 O SER A 66 -5.687 6.756 -1.338 1.00 0.00 O ATOM 942 CB SER A 66 -6.345 9.699 -2.587 1.00 0.00 C ATOM 943 OG SER A 66 -7.080 8.640 -3.188 1.00 0.00 O ATOM 0 H SER A 66 -3.457 9.482 -1.030 1.00 0.00 H new ATOM 0 HA SER A 66 -6.093 9.128 -0.521 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.027 10.464 -2.214 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.704 10.177 -3.328 1.00 0.00 H new ATOM 0 HG SER A 66 -7.623 8.995 -3.923 1.00 0.00 H new ATOM 949 N SER A 67 -3.994 7.593 -2.563 1.00 0.00 N ATOM 950 CA SER A 67 -3.493 6.274 -2.967 1.00 0.00 C ATOM 951 C SER A 67 -1.970 6.225 -2.887 1.00 0.00 C ATOM 952 O SER A 67 -1.336 5.477 -3.626 1.00 0.00 O ATOM 953 CB SER A 67 -3.954 5.957 -4.404 1.00 0.00 C ATOM 954 OG SER A 67 -2.891 6.204 -5.319 1.00 0.00 O ATOM 0 H SER A 67 -3.464 8.380 -2.937 1.00 0.00 H new ATOM 0 HA SER A 67 -3.897 5.527 -2.284 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.270 4.916 -4.473 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.818 6.570 -4.662 1.00 0.00 H new ATOM 0 HG SER A 67 -2.144 5.601 -5.123 1.00 0.00 H new ATOM 960 N GLU A 68 -1.384 7.016 -1.978 1.00 0.00 N ATOM 961 CA GLU A 68 0.077 7.040 -1.801 1.00 0.00 C ATOM 962 C GLU A 68 0.447 6.592 -0.393 1.00 0.00 C ATOM 963 O GLU A 68 -0.118 7.064 0.593 1.00 0.00 O ATOM 964 CB GLU A 68 0.640 8.448 -2.048 1.00 0.00 C ATOM 965 CG GLU A 68 0.019 9.048 -3.312 1.00 0.00 C ATOM 966 CD GLU A 68 0.794 10.309 -3.708 1.00 0.00 C ATOM 967 OE1 GLU A 68 2.013 10.265 -3.670 1.00 0.00 O ATOM 968 OE2 GLU A 68 0.157 11.295 -4.040 1.00 0.00 O ATOM 0 H GLU A 68 -1.894 7.644 -1.357 1.00 0.00 H new ATOM 0 HA GLU A 68 0.511 6.354 -2.529 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.430 9.088 -1.191 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.724 8.402 -2.153 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.045 8.321 -4.124 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.029 9.292 -3.136 1.00 0.00 H new ATOM 975 N LEU A 69 1.402 5.668 -0.313 1.00 0.00 N ATOM 976 CA LEU A 69 1.861 5.139 0.973 1.00 0.00 C ATOM 977 C LEU A 69 3.105 5.885 1.421 1.00 0.00 C ATOM 978 O LEU A 69 4.174 5.749 0.830 1.00 0.00 O ATOM 979 CB LEU A 69 2.137 3.628 0.817 1.00 0.00 C ATOM 980 CG LEU A 69 2.798 2.960 2.069 1.00 0.00 C ATOM 981 CD1 LEU A 69 4.338 3.054 2.035 1.00 0.00 C ATOM 982 CD2 LEU A 69 2.283 3.567 3.384 1.00 0.00 C ATOM 0 H LEU A 69 1.875 5.269 -1.124 1.00 0.00 H new ATOM 0 HA LEU A 69 1.096 5.280 1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.197 3.119 0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.786 3.476 -0.046 1.00 0.00 H new ATOM 0 HG LEU A 69 2.511 1.909 2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.751 2.577 2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.714 2.550 1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.638 4.102 2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.768 3.074 4.227 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.511 4.633 3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.204 3.425 3.452 1.00 0.00 H new ATOM 994 N ALA A 70 2.952 6.666 2.490 1.00 0.00 N ATOM 995 CA ALA A 70 4.058 7.431 3.061 1.00 0.00 C ATOM 996 C ALA A 70 4.545 6.722 4.315 1.00 0.00 C ATOM 997 O ALA A 70 3.740 6.268 5.127 1.00 0.00 O ATOM 998 CB ALA A 70 3.589 8.835 3.410 1.00 0.00 C ATOM 0 H ALA A 70 2.066 6.785 2.980 1.00 0.00 H new ATOM 0 HA ALA A 70 4.870 7.504 2.338 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.418 9.400 3.835 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.234 9.334 2.509 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.778 8.778 4.137 1.00 0.00 H new ATOM 1004 N ALA A 71 5.856 6.615 4.469 1.00 0.00 N ATOM 1005 CA ALA A 71 6.413 5.940 5.631 1.00 0.00 C ATOM 1006 C ALA A 71 7.891 6.244 5.773 1.00 0.00 C ATOM 1007 O ALA A 71 8.508 6.814 4.875 1.00 0.00 O ATOM 1008 CB ALA A 71 6.215 4.441 5.491 1.00 0.00 C ATOM 0 H ALA A 71 6.546 6.982 3.813 1.00 0.00 H new ATOM 0 HA ALA A 71 5.897 6.300 6.521 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.633 3.936 6.362 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.150 4.220 5.419 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.720 4.090 4.591 1.00 0.00 H new ATOM 1014 N GLU A 72 8.457 5.847 6.912 1.00 0.00 N ATOM 1015 CA GLU A 72 9.877 6.061 7.186 1.00 0.00 C ATOM 1016 C GLU A 72 10.596 4.715 7.203 1.00 0.00 C ATOM 1017 O GLU A 72 10.171 3.803 7.899 1.00 0.00 O ATOM 1018 CB GLU A 72 10.040 6.776 8.546 1.00 0.00 C ATOM 1019 CG GLU A 72 9.928 8.307 8.384 1.00 0.00 C ATOM 1020 CD GLU A 72 10.485 9.001 9.631 1.00 0.00 C ATOM 1021 OE1 GLU A 72 9.737 9.165 10.579 1.00 0.00 O ATOM 1022 OE2 GLU A 72 11.653 9.358 9.612 1.00 0.00 O ATOM 0 H GLU A 72 7.952 5.374 7.662 1.00 0.00 H new ATOM 0 HA GLU A 72 10.314 6.687 6.407 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.277 6.424 9.240 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.007 6.523 8.980 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.478 8.630 7.500 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.887 8.591 8.233 1.00 0.00 H new ATOM 1029 N CYS A 73 11.677 4.597 6.418 1.00 0.00 N ATOM 1030 CA CYS A 73 12.443 3.341 6.330 1.00 0.00 C ATOM 1031 C CYS A 73 13.916 3.547 6.671 1.00 0.00 C ATOM 1032 O CYS A 73 14.524 4.548 6.295 1.00 0.00 O ATOM 1033 CB CYS A 73 12.305 2.776 4.921 1.00 0.00 C ATOM 1034 SG CYS A 73 10.637 2.122 4.726 1.00 0.00 S ATOM 0 H CYS A 73 12.041 5.352 5.836 1.00 0.00 H new ATOM 0 HA CYS A 73 12.039 2.639 7.060 1.00 0.00 H new ATOM 0 HB2 CYS A 73 12.496 3.553 4.181 1.00 0.00 H new ATOM 0 HB3 CYS A 73 13.042 1.990 4.755 1.00 0.00 H new ATOM 1039 N LYS A 74 14.465 2.581 7.406 1.00 0.00 N ATOM 1040 CA LYS A 74 15.859 2.628 7.845 1.00 0.00 C ATOM 1041 C LYS A 74 16.840 2.457 6.679 1.00 0.00 C ATOM 1042 O LYS A 74 16.714 1.545 5.864 1.00 0.00 O ATOM 1043 CB LYS A 74 16.088 1.529 8.924 1.00 0.00 C ATOM 1044 CG LYS A 74 16.688 2.130 10.205 1.00 0.00 C ATOM 1045 CD LYS A 74 16.697 1.068 11.312 1.00 0.00 C ATOM 1046 CE LYS A 74 17.266 1.657 12.616 1.00 0.00 C ATOM 1047 NZ LYS A 74 16.674 0.934 13.777 1.00 0.00 N ATOM 0 H LYS A 74 13.960 1.749 7.712 1.00 0.00 H new ATOM 0 HA LYS A 74 16.052 3.613 8.271 1.00 0.00 H new ATOM 0 HB2 LYS A 74 15.142 1.040 9.156 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.755 0.762 8.531 1.00 0.00 H new ATOM 0 HG2 LYS A 74 17.702 2.481 10.015 1.00 0.00 H new ATOM 0 HG3 LYS A 74 16.105 2.995 10.521 1.00 0.00 H new ATOM 0 HD2 LYS A 74 15.684 0.702 11.482 1.00 0.00 H new ATOM 0 HD3 LYS A 74 17.297 0.213 11.000 1.00 0.00 H new ATOM 0 HE2 LYS A 74 18.352 1.563 12.629 1.00 0.00 H new ATOM 0 HE3 LYS A 74 17.037 2.721 12.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 17.054 1.327 14.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.640 1.046 13.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 16.914 -0.076 13.716 1.00 0.00 H new ATOM 1061 N THR A 75 17.808 3.367 6.621 1.00 0.00 N ATOM 1062 CA THR A 75 18.822 3.354 5.571 1.00 0.00 C ATOM 1063 C THR A 75 19.908 2.320 5.870 1.00 0.00 C ATOM 1064 O THR A 75 19.942 1.732 6.950 1.00 0.00 O ATOM 1065 CB THR A 75 19.484 4.740 5.424 1.00 0.00 C ATOM 1066 OG1 THR A 75 19.899 5.197 6.701 1.00 0.00 O ATOM 1067 CG2 THR A 75 18.484 5.736 4.821 1.00 0.00 C ATOM 0 H THR A 75 17.912 4.127 7.293 1.00 0.00 H new ATOM 0 HA THR A 75 18.317 3.092 4.641 1.00 0.00 H new ATOM 0 HB THR A 75 20.347 4.660 4.764 1.00 0.00 H new ATOM 0 HG1 THR A 75 19.189 5.742 7.100 1.00 0.00 H new ATOM 0 HG21 THR A 75 18.959 6.712 4.720 1.00 0.00 H new ATOM 0 HG22 THR A 75 18.167 5.384 3.840 1.00 0.00 H new ATOM 0 HG23 THR A 75 17.616 5.820 5.474 1.00 0.00 H new ATOM 1075 N ALA A 76 20.792 2.108 4.899 1.00 0.00 N ATOM 1076 CA ALA A 76 21.877 1.146 5.056 1.00 0.00 C ATOM 1077 C ALA A 76 22.751 1.513 6.250 1.00 0.00 C ATOM 1078 O ALA A 76 23.370 0.647 6.870 1.00 0.00 O ATOM 1079 CB ALA A 76 22.720 1.113 3.789 1.00 0.00 C ATOM 0 H ALA A 76 20.778 2.588 3.999 1.00 0.00 H new ATOM 0 HA ALA A 76 21.447 0.160 5.232 1.00 0.00 H new ATOM 0 HB1 ALA A 76 23.530 0.393 3.909 1.00 0.00 H new ATOM 0 HB2 ALA A 76 22.096 0.820 2.945 1.00 0.00 H new ATOM 0 HB3 ALA A 76 23.138 2.102 3.604 1.00 0.00 H new ATOM 1085 N ALA A 77 22.804 2.805 6.561 1.00 0.00 N ATOM 1086 CA ALA A 77 23.612 3.290 7.677 1.00 0.00 C ATOM 1087 C ALA A 77 22.848 3.186 8.991 1.00 0.00 C ATOM 1088 O ALA A 77 23.436 3.296 10.067 1.00 0.00 O ATOM 1089 CB ALA A 77 24.003 4.738 7.431 1.00 0.00 C ATOM 0 H ALA A 77 22.298 3.534 6.058 1.00 0.00 H new ATOM 0 HA ALA A 77 24.506 2.671 7.748 1.00 0.00 H new ATOM 0 HB1 ALA A 77 24.606 5.099 8.264 1.00 0.00 H new ATOM 0 HB2 ALA A 77 24.580 4.807 6.509 1.00 0.00 H new ATOM 0 HB3 ALA A 77 23.104 5.348 7.343 1.00 0.00 H new ATOM 1095 N GLY A 78 21.534 2.967 8.909 1.00 0.00 N ATOM 1096 CA GLY A 78 20.706 2.849 10.102 1.00 0.00 C ATOM 1097 C GLY A 78 19.966 4.139 10.420 1.00 0.00 C ATOM 1098 O GLY A 78 19.739 4.456 11.588 1.00 0.00 O ATOM 0 H GLY A 78 21.026 2.869 8.030 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.985 2.044 9.963 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.332 2.573 10.950 1.00 0.00 H new ATOM 1102 N GLN A 79 19.578 4.888 9.376 1.00 0.00 N ATOM 1103 CA GLN A 79 18.849 6.157 9.556 1.00 0.00 C ATOM 1104 C GLN A 79 17.523 6.129 8.801 1.00 0.00 C ATOM 1105 O GLN A 79 17.466 5.779 7.624 1.00 0.00 O ATOM 1106 CB GLN A 79 19.695 7.336 9.055 1.00 0.00 C ATOM 1107 CG GLN A 79 20.856 7.589 10.020 1.00 0.00 C ATOM 1108 CD GLN A 79 21.611 8.845 9.585 1.00 0.00 C ATOM 1109 OE1 GLN A 79 21.975 8.980 8.434 1.00 0.00 O ATOM 1110 NE2 GLN A 79 21.863 9.778 10.462 1.00 0.00 N ATOM 0 H GLN A 79 19.755 4.640 8.403 1.00 0.00 H new ATOM 0 HA GLN A 79 18.650 6.282 10.620 1.00 0.00 H new ATOM 0 HB2 GLN A 79 20.079 7.122 8.058 1.00 0.00 H new ATOM 0 HB3 GLN A 79 19.077 8.230 8.973 1.00 0.00 H new ATOM 0 HG2 GLN A 79 20.480 7.711 11.036 1.00 0.00 H new ATOM 0 HG3 GLN A 79 21.529 6.732 10.030 1.00 0.00 H new ATOM 0 HE21 GLN A 79 21.558 9.665 11.429 1.00 0.00 H new ATOM 0 HE22 GLN A 79 22.365 10.620 10.181 1.00 0.00 H new ATOM 1119 N PHE A 80 16.463 6.505 9.502 1.00 0.00 N ATOM 1120 CA PHE A 80 15.123 6.527 8.924 1.00 0.00 C ATOM 1121 C PHE A 80 14.908 7.769 8.050 1.00 0.00 C ATOM 1122 O PHE A 80 14.962 8.897 8.535 1.00 0.00 O ATOM 1123 CB PHE A 80 14.093 6.507 10.062 1.00 0.00 C ATOM 1124 CG PHE A 80 13.983 5.110 10.654 1.00 0.00 C ATOM 1125 CD1 PHE A 80 13.304 4.093 9.947 1.00 0.00 C ATOM 1126 CD2 PHE A 80 14.548 4.828 11.918 1.00 0.00 C ATOM 1127 CE1 PHE A 80 13.195 2.799 10.502 1.00 0.00 C ATOM 1128 CE2 PHE A 80 14.433 3.535 12.474 1.00 0.00 C ATOM 1129 CZ PHE A 80 13.759 2.519 11.765 1.00 0.00 C ATOM 0 H PHE A 80 16.504 6.801 10.477 1.00 0.00 H new ATOM 0 HA PHE A 80 15.003 5.650 8.287 1.00 0.00 H new ATOM 0 HB2 PHE A 80 14.385 7.215 10.837 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.121 6.827 9.687 1.00 0.00 H new ATOM 0 HD1 PHE A 80 12.868 4.305 8.982 1.00 0.00 H new ATOM 0 HD2 PHE A 80 15.069 5.603 12.460 1.00 0.00 H new ATOM 0 HE1 PHE A 80 12.679 2.022 9.958 1.00 0.00 H new ATOM 0 HE2 PHE A 80 14.861 3.324 13.443 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.675 1.529 12.188 1.00 0.00 H new ATOM 1139 N VAL A 81 14.638 7.544 6.758 1.00 0.00 N ATOM 1140 CA VAL A 81 14.381 8.638 5.805 1.00 0.00 C ATOM 1141 C VAL A 81 12.906 8.629 5.425 1.00 0.00 C ATOM 1142 O VAL A 81 12.184 7.732 5.829 1.00 0.00 O ATOM 1143 CB VAL A 81 15.223 8.473 4.528 1.00 0.00 C ATOM 1144 CG1 VAL A 81 16.700 8.682 4.864 1.00 0.00 C ATOM 1145 CG2 VAL A 81 15.022 7.065 3.964 1.00 0.00 C ATOM 0 H VAL A 81 14.591 6.613 6.345 1.00 0.00 H new ATOM 0 HA VAL A 81 14.653 9.580 6.281 1.00 0.00 H new ATOM 0 HB VAL A 81 14.910 9.209 3.787 1.00 0.00 H new ATOM 0 HG11 VAL A 81 17.299 8.566 3.961 1.00 0.00 H new ATOM 0 HG12 VAL A 81 16.843 9.684 5.267 1.00 0.00 H new ATOM 0 HG13 VAL A 81 17.013 7.945 5.604 1.00 0.00 H new ATOM 0 HG21 VAL A 81 15.618 6.947 3.059 1.00 0.00 H new ATOM 0 HG22 VAL A 81 15.336 6.329 4.704 1.00 0.00 H new ATOM 0 HG23 VAL A 81 13.969 6.915 3.727 1.00 0.00 H new ATOM 1155 N SER A 82 12.455 9.610 4.638 1.00 0.00 N ATOM 1156 CA SER A 82 11.044 9.667 4.223 1.00 0.00 C ATOM 1157 C SER A 82 10.852 8.984 2.873 1.00 0.00 C ATOM 1158 O SER A 82 11.390 9.437 1.863 1.00 0.00 O ATOM 1159 CB SER A 82 10.592 11.132 4.118 1.00 0.00 C ATOM 1160 OG SER A 82 10.332 11.638 5.419 1.00 0.00 O ATOM 0 H SER A 82 13.035 10.368 4.278 1.00 0.00 H new ATOM 0 HA SER A 82 10.444 9.147 4.971 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.363 11.728 3.631 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.696 11.205 3.501 1.00 0.00 H new ATOM 0 HG SER A 82 10.045 12.573 5.355 1.00 0.00 H new ATOM 1166 N THR A 83 10.091 7.886 2.860 1.00 0.00 N ATOM 1167 CA THR A 83 9.838 7.142 1.622 1.00 0.00 C ATOM 1168 C THR A 83 8.370 7.204 1.228 1.00 0.00 C ATOM 1169 O THR A 83 7.480 7.227 2.079 1.00 0.00 O ATOM 1170 CB THR A 83 10.210 5.660 1.784 1.00 0.00 C ATOM 1171 OG1 THR A 83 9.239 5.020 2.603 1.00 0.00 O ATOM 1172 CG2 THR A 83 11.594 5.527 2.431 1.00 0.00 C ATOM 0 H THR A 83 9.641 7.494 3.687 1.00 0.00 H new ATOM 0 HA THR A 83 10.452 7.607 0.851 1.00 0.00 H new ATOM 0 HB THR A 83 10.235 5.189 0.801 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.001 5.609 3.349 1.00 0.00 H new ATOM 0 HG21 THR A 83 11.845 4.472 2.540 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.338 6.014 1.801 1.00 0.00 H new ATOM 0 HG23 THR A 83 11.584 6.001 3.413 1.00 0.00 H new ATOM 1180 N LYS A 84 8.134 7.227 -0.081 1.00 0.00 N ATOM 1181 CA LYS A 84 6.780 7.283 -0.624 1.00 0.00 C ATOM 1182 C LYS A 84 6.663 6.376 -1.840 1.00 0.00 C ATOM 1183 O LYS A 84 7.660 6.040 -2.478 1.00 0.00 O ATOM 1184 CB LYS A 84 6.437 8.727 -1.021 1.00 0.00 C ATOM 1185 CG LYS A 84 7.469 9.279 -2.051 1.00 0.00 C ATOM 1186 CD LYS A 84 6.914 9.188 -3.485 1.00 0.00 C ATOM 1187 CE LYS A 84 7.938 9.753 -4.476 1.00 0.00 C ATOM 1188 NZ LYS A 84 7.926 11.241 -4.410 1.00 0.00 N ATOM 0 H LYS A 84 8.868 7.208 -0.789 1.00 0.00 H new ATOM 0 HA LYS A 84 6.081 6.943 0.140 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.435 8.763 -1.449 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.428 9.360 -0.134 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.707 10.316 -1.814 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.398 8.714 -1.980 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.689 8.151 -3.732 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.979 9.743 -3.559 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.933 9.376 -4.241 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.702 9.421 -5.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.532 11.627 -5.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.953 11.586 -4.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.285 11.550 -3.484 1.00 0.00 H new ATOM 1202 N ILE A 85 5.437 5.996 -2.161 1.00 0.00 N ATOM 1203 CA ILE A 85 5.189 5.142 -3.310 1.00 0.00 C ATOM 1204 C ILE A 85 3.694 5.132 -3.608 1.00 0.00 C ATOM 1205 O ILE A 85 2.871 5.122 -2.693 1.00 0.00 O ATOM 1206 CB ILE A 85 5.715 3.712 -3.054 1.00 0.00 C ATOM 1207 CG1 ILE A 85 5.681 2.893 -4.358 1.00 0.00 C ATOM 1208 CG2 ILE A 85 4.869 3.030 -1.982 1.00 0.00 C ATOM 1209 CD1 ILE A 85 6.511 1.597 -4.208 1.00 0.00 C ATOM 0 H ILE A 85 4.600 6.265 -1.643 1.00 0.00 H new ATOM 0 HA ILE A 85 5.723 5.534 -4.176 1.00 0.00 H new ATOM 0 HB ILE A 85 6.746 3.772 -2.705 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.650 2.644 -4.611 1.00 0.00 H new ATOM 0 HG13 ILE A 85 6.075 3.491 -5.180 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.246 2.022 -1.807 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.923 3.603 -1.057 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.833 2.977 -2.316 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.475 1.032 -5.139 1.00 0.00 H new ATOM 0 HD12 ILE A 85 7.546 1.852 -3.978 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.098 0.992 -3.400 1.00 0.00 H new ATOM 1221 N ASN A 86 3.346 5.151 -4.891 1.00 0.00 N ATOM 1222 CA ASN A 86 1.943 5.171 -5.298 1.00 0.00 C ATOM 1223 C ASN A 86 1.345 3.766 -5.230 1.00 0.00 C ATOM 1224 O ASN A 86 1.760 2.875 -5.964 1.00 0.00 O ATOM 1225 CB ASN A 86 1.839 5.753 -6.732 1.00 0.00 C ATOM 1226 CG ASN A 86 0.647 6.714 -6.845 1.00 0.00 C ATOM 1227 OD1 ASN A 86 -0.442 6.465 -6.170 1.00 0.00 O flip ATOM 1228 ND2 ASN A 86 0.713 7.702 -7.550 1.00 0.00 N flip ATOM 0 H ASN A 86 4.012 5.153 -5.664 1.00 0.00 H new ATOM 0 HA ASN A 86 1.374 5.803 -4.616 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.760 6.278 -6.984 1.00 0.00 H new ATOM 0 HB3 ASN A 86 1.727 4.942 -7.451 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.564 7.896 -8.077 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -0.083 8.337 -7.614 1.00 0.00 H new ATOM 1235 N LEU A 87 0.348 3.592 -4.367 1.00 0.00 N ATOM 1236 CA LEU A 87 -0.324 2.306 -4.221 1.00 0.00 C ATOM 1237 C LEU A 87 -1.096 1.970 -5.490 1.00 0.00 C ATOM 1238 O LEU A 87 -1.287 0.801 -5.827 1.00 0.00 O ATOM 1239 CB LEU A 87 -1.289 2.370 -3.037 1.00 0.00 C ATOM 1240 CG LEU A 87 -0.532 2.503 -1.710 1.00 0.00 C ATOM 1241 CD1 LEU A 87 -1.567 2.694 -0.598 1.00 0.00 C ATOM 1242 CD2 LEU A 87 0.326 1.243 -1.429 1.00 0.00 C ATOM 0 H LEU A 87 -0.012 4.327 -3.758 1.00 0.00 H new ATOM 0 HA LEU A 87 0.422 1.531 -4.046 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.964 3.217 -3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.906 1.471 -3.018 1.00 0.00 H new ATOM 0 HG LEU A 87 0.146 3.355 -1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.057 2.792 0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.149 3.595 -0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.233 1.831 -0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.852 1.365 -0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.321 0.367 -1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.051 1.110 -2.232 1.00 0.00 H new ATOM 1254 N ASP A 88 -1.538 3.008 -6.184 1.00 0.00 N ATOM 1255 CA ASP A 88 -2.294 2.838 -7.415 1.00 0.00 C ATOM 1256 C ASP A 88 -1.417 2.256 -8.522 1.00 0.00 C ATOM 1257 O ASP A 88 -1.910 1.884 -9.587 1.00 0.00 O ATOM 1258 CB ASP A 88 -2.846 4.196 -7.858 1.00 0.00 C ATOM 1259 CG ASP A 88 -1.696 5.150 -8.175 1.00 0.00 C ATOM 1260 OD1 ASP A 88 -0.558 4.721 -8.107 1.00 0.00 O ATOM 1261 OD2 ASP A 88 -1.975 6.296 -8.487 1.00 0.00 O ATOM 0 H ASP A 88 -1.385 3.980 -5.914 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.113 2.143 -7.228 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.479 4.071 -8.737 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.472 4.617 -7.072 1.00 0.00 H new ATOM 1266 N ASP A 89 -0.114 2.195 -8.268 1.00 0.00 N ATOM 1267 CA ASP A 89 0.829 1.677 -9.255 1.00 0.00 C ATOM 1268 C ASP A 89 0.568 0.201 -9.567 1.00 0.00 C ATOM 1269 O ASP A 89 0.819 -0.253 -10.684 1.00 0.00 O ATOM 1270 CB ASP A 89 2.266 1.859 -8.741 1.00 0.00 C ATOM 1271 CG ASP A 89 3.259 1.794 -9.906 1.00 0.00 C ATOM 1272 OD1 ASP A 89 3.023 1.023 -10.820 1.00 0.00 O ATOM 1273 OD2 ASP A 89 4.239 2.521 -9.863 1.00 0.00 O ATOM 0 H ASP A 89 0.312 2.496 -7.392 1.00 0.00 H new ATOM 0 HA ASP A 89 0.693 2.239 -10.179 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.358 2.817 -8.229 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.500 1.084 -8.011 1.00 0.00 H new ATOM 1278 N HIS A 90 0.069 -0.551 -8.581 1.00 0.00 N ATOM 1279 CA HIS A 90 -0.210 -1.983 -8.777 1.00 0.00 C ATOM 1280 C HIS A 90 -1.481 -2.406 -8.043 1.00 0.00 C ATOM 1281 O HIS A 90 -2.256 -3.213 -8.553 1.00 0.00 O ATOM 1282 CB HIS A 90 0.960 -2.822 -8.256 1.00 0.00 C ATOM 1283 CG HIS A 90 2.153 -2.679 -9.162 1.00 0.00 C ATOM 1284 ND1 HIS A 90 3.372 -2.202 -8.708 1.00 0.00 N ATOM 1285 CD2 HIS A 90 2.333 -2.967 -10.492 1.00 0.00 C ATOM 1286 CE1 HIS A 90 4.227 -2.223 -9.747 1.00 0.00 C ATOM 1287 NE2 HIS A 90 3.645 -2.682 -10.858 1.00 0.00 N ATOM 0 H HIS A 90 -0.149 -0.200 -7.648 1.00 0.00 H new ATOM 0 HA HIS A 90 -0.346 -2.149 -9.846 1.00 0.00 H new ATOM 0 HB2 HIS A 90 1.222 -2.505 -7.247 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.666 -3.870 -8.195 1.00 0.00 H new ATOM 0 HD1 HIS A 90 3.583 -1.892 -7.760 1.00 0.00 H new ATOM 0 HD2 HIS A 90 1.573 -3.355 -11.153 1.00 0.00 H new ATOM 0 HE1 HIS A 90 5.258 -1.907 -9.689 1.00 0.00 H new ATOM 1295 N ILE A 91 -1.683 -1.879 -6.840 1.00 0.00 N ATOM 1296 CA ILE A 91 -2.865 -2.238 -6.061 1.00 0.00 C ATOM 1297 C ILE A 91 -4.119 -1.901 -6.853 1.00 0.00 C ATOM 1298 O ILE A 91 -4.342 -0.745 -7.215 1.00 0.00 O ATOM 1299 CB ILE A 91 -2.911 -1.482 -4.715 1.00 0.00 C ATOM 1300 CG1 ILE A 91 -1.559 -1.602 -3.977 1.00 0.00 C ATOM 1301 CG2 ILE A 91 -4.044 -2.037 -3.843 1.00 0.00 C ATOM 1302 CD1 ILE A 91 -1.366 -2.991 -3.344 1.00 0.00 C ATOM 0 H ILE A 91 -1.056 -1.213 -6.388 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.815 -3.308 -5.857 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.100 -0.427 -4.913 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.746 -1.407 -4.677 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.501 -0.839 -3.201 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.071 -1.499 -2.895 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.996 -1.910 -4.359 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.872 -3.097 -3.654 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.402 -3.029 -2.836 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.163 -3.177 -2.624 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.396 -3.753 -4.123 1.00 0.00 H new ATOM 1314 N ALA A 92 -4.939 -2.919 -7.125 1.00 0.00 N ATOM 1315 CA ALA A 92 -6.179 -2.737 -7.888 1.00 0.00 C ATOM 1316 C ALA A 92 -7.377 -3.169 -7.064 1.00 0.00 C ATOM 1317 O ALA A 92 -7.236 -3.633 -5.933 1.00 0.00 O ATOM 1318 CB ALA A 92 -6.136 -3.566 -9.160 1.00 0.00 C ATOM 0 H ALA A 92 -4.767 -3.880 -6.828 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.272 -1.680 -8.138 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.061 -3.424 -9.719 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.291 -3.251 -9.771 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.025 -4.620 -8.904 1.00 0.00 H new ATOM 1324 N ASN A 93 -8.558 -3.023 -7.654 1.00 0.00 N ATOM 1325 CA ASN A 93 -9.806 -3.407 -7.000 1.00 0.00 C ATOM 1326 C ASN A 93 -10.447 -4.561 -7.756 1.00 0.00 C ATOM 1327 O ASN A 93 -10.786 -4.429 -8.931 1.00 0.00 O ATOM 1328 CB ASN A 93 -10.762 -2.223 -6.986 1.00 0.00 C ATOM 1329 CG ASN A 93 -11.992 -2.574 -6.151 1.00 0.00 C ATOM 1330 OD1 ASN A 93 -11.879 -3.190 -5.109 1.00 0.00 O ATOM 1331 ND2 ASN A 93 -13.173 -2.205 -6.565 1.00 0.00 N ATOM 0 H ASN A 93 -8.679 -2.639 -8.591 1.00 0.00 H new ATOM 0 HA ASN A 93 -9.593 -3.716 -5.977 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.266 -1.346 -6.571 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -11.060 -1.970 -8.004 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -14.001 -2.433 -6.014 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -13.268 -1.688 -7.439 1.00 0.00 H new ATOM 1338 N ILE A 94 -10.613 -5.693 -7.074 1.00 0.00 N ATOM 1339 CA ILE A 94 -11.217 -6.885 -7.675 1.00 0.00 C ATOM 1340 C ILE A 94 -12.530 -7.210 -6.966 1.00 0.00 C ATOM 1341 O ILE A 94 -12.543 -7.519 -5.775 1.00 0.00 O ATOM 1342 CB ILE A 94 -10.262 -8.096 -7.543 1.00 0.00 C ATOM 1343 CG1 ILE A 94 -8.844 -7.691 -8.012 1.00 0.00 C ATOM 1344 CG2 ILE A 94 -10.790 -9.302 -8.359 1.00 0.00 C ATOM 1345 CD1 ILE A 94 -8.857 -7.167 -9.454 1.00 0.00 C ATOM 0 H ILE A 94 -10.337 -5.812 -6.099 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.403 -6.685 -8.730 1.00 0.00 H new ATOM 0 HB ILE A 94 -10.215 -8.399 -6.497 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.446 -6.924 -7.348 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.177 -8.550 -7.942 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -10.104 -10.142 -8.252 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.775 -9.588 -7.989 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -10.864 -9.025 -9.411 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -7.845 -6.892 -9.750 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.232 -7.944 -10.120 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.504 -6.292 -9.517 1.00 0.00 H new ATOM 1357 N ASP A 95 -13.631 -7.121 -7.707 1.00 0.00 N ATOM 1358 CA ASP A 95 -14.956 -7.392 -7.151 1.00 0.00 C ATOM 1359 C ASP A 95 -15.139 -6.692 -5.803 1.00 0.00 C ATOM 1360 O ASP A 95 -15.846 -7.186 -4.925 1.00 0.00 O ATOM 1361 CB ASP A 95 -15.177 -8.905 -7.005 1.00 0.00 C ATOM 1362 CG ASP A 95 -14.333 -9.460 -5.855 1.00 0.00 C ATOM 1363 OD1 ASP A 95 -13.200 -9.834 -6.104 1.00 0.00 O ATOM 1364 OD2 ASP A 95 -14.838 -9.504 -4.745 1.00 0.00 O ATOM 0 H ASP A 95 -13.633 -6.863 -8.694 1.00 0.00 H new ATOM 0 HA ASP A 95 -15.701 -6.996 -7.841 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -16.232 -9.109 -6.821 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.912 -9.409 -7.935 1.00 0.00 H new ATOM 1369 N GLY A 96 -14.504 -5.529 -5.658 1.00 0.00 N ATOM 1370 CA GLY A 96 -14.598 -4.745 -4.433 1.00 0.00 C ATOM 1371 C GLY A 96 -13.626 -5.202 -3.366 1.00 0.00 C ATOM 1372 O GLY A 96 -13.880 -5.032 -2.173 1.00 0.00 O ATOM 0 H GLY A 96 -13.917 -5.110 -6.379 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -14.410 -3.696 -4.663 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -15.614 -4.809 -4.044 1.00 0.00 H new ATOM 1376 N THR A 97 -12.503 -5.776 -3.792 1.00 0.00 N ATOM 1377 CA THR A 97 -11.475 -6.256 -2.860 1.00 0.00 C ATOM 1378 C THR A 97 -10.113 -5.715 -3.274 1.00 0.00 C ATOM 1379 O THR A 97 -9.865 -5.485 -4.451 1.00 0.00 O ATOM 1380 CB THR A 97 -11.413 -7.794 -2.857 1.00 0.00 C ATOM 1381 OG1 THR A 97 -10.914 -8.248 -4.107 1.00 0.00 O ATOM 1382 CG2 THR A 97 -12.814 -8.362 -2.628 1.00 0.00 C ATOM 0 H THR A 97 -12.278 -5.922 -4.776 1.00 0.00 H new ATOM 0 HA THR A 97 -11.734 -5.906 -1.861 1.00 0.00 H new ATOM 0 HB THR A 97 -10.752 -8.130 -2.058 1.00 0.00 H new ATOM 0 HG1 THR A 97 -11.229 -7.654 -4.820 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.769 -9.451 -2.626 1.00 0.00 H new ATOM 0 HG22 THR A 97 -13.196 -8.013 -1.669 1.00 0.00 H new ATOM 0 HG23 THR A 97 -13.477 -8.028 -3.426 1.00 0.00 H new ATOM 1390 N LEU A 98 -9.230 -5.509 -2.301 1.00 0.00 N ATOM 1391 CA LEU A 98 -7.891 -4.989 -2.589 1.00 0.00 C ATOM 1392 C LEU A 98 -6.913 -6.129 -2.841 1.00 0.00 C ATOM 1393 O LEU A 98 -6.721 -6.993 -1.987 1.00 0.00 O ATOM 1394 CB LEU A 98 -7.389 -4.154 -1.408 1.00 0.00 C ATOM 1395 CG LEU A 98 -8.444 -3.114 -1.002 1.00 0.00 C ATOM 1396 CD1 LEU A 98 -7.962 -2.368 0.250 1.00 0.00 C ATOM 1397 CD2 LEU A 98 -8.665 -2.110 -2.151 1.00 0.00 C ATOM 0 H LEU A 98 -9.412 -5.691 -1.314 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.953 -4.368 -3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.166 -4.805 -0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.460 -3.653 -1.678 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.386 -3.619 -0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.707 -1.628 0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.817 -3.079 1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.019 -1.866 0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.415 -1.376 -1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.728 -1.601 -2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.009 -2.642 -3.038 1.00 0.00 H new ATOM 1409 N LYS A 99 -6.284 -6.112 -4.016 1.00 0.00 N ATOM 1410 CA LYS A 99 -5.303 -7.136 -4.380 1.00 0.00 C ATOM 1411 C LYS A 99 -4.239 -6.528 -5.294 1.00 0.00 C ATOM 1412 O LYS A 99 -4.504 -5.591 -6.048 1.00 0.00 O ATOM 1413 CB LYS A 99 -6.001 -8.337 -5.076 1.00 0.00 C ATOM 1414 CG LYS A 99 -6.575 -9.359 -4.026 1.00 0.00 C ATOM 1415 CD LYS A 99 -8.121 -9.439 -4.095 1.00 0.00 C ATOM 1416 CE LYS A 99 -8.550 -10.375 -5.228 1.00 0.00 C ATOM 1417 NZ LYS A 99 -8.071 -11.757 -4.936 1.00 0.00 N ATOM 0 H LYS A 99 -6.436 -5.401 -4.732 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.822 -7.504 -3.474 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.810 -7.972 -5.709 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.290 -8.844 -5.728 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.150 -10.346 -4.208 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.270 -9.061 -3.023 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -8.517 -9.800 -3.146 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.537 -8.445 -4.257 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.635 -10.368 -5.329 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -8.139 -10.028 -6.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.735 -12.447 -5.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.130 -11.894 -5.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.014 -11.894 -3.907 1.00 0.00 H new ATOM 1431 N TYR A 100 -3.029 -7.066 -5.190 1.00 0.00 N ATOM 1432 CA TYR A 100 -1.894 -6.588 -5.974 1.00 0.00 C ATOM 1433 C TYR A 100 -1.901 -7.185 -7.380 1.00 0.00 C ATOM 1434 O TYR A 100 -2.145 -8.378 -7.557 1.00 0.00 O ATOM 1435 CB TYR A 100 -0.606 -6.986 -5.248 1.00 0.00 C ATOM 1436 CG TYR A 100 0.608 -6.595 -6.058 1.00 0.00 C ATOM 1437 CD1 TYR A 100 1.154 -7.501 -6.993 1.00 0.00 C ATOM 1438 CD2 TYR A 100 1.214 -5.336 -5.860 1.00 0.00 C ATOM 1439 CE1 TYR A 100 2.307 -7.148 -7.727 1.00 0.00 C ATOM 1440 CE2 TYR A 100 2.361 -4.983 -6.602 1.00 0.00 C ATOM 1441 CZ TYR A 100 2.906 -5.886 -7.535 1.00 0.00 C ATOM 1442 OH TYR A 100 4.091 -5.580 -8.173 1.00 0.00 O ATOM 0 H TYR A 100 -2.807 -7.841 -4.565 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.960 -5.505 -6.074 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.569 -6.502 -4.272 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.600 -8.062 -5.071 1.00 0.00 H new ATOM 0 HD1 TYR A 100 0.690 -8.464 -7.147 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.800 -4.644 -5.142 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.730 -7.844 -8.436 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.822 -4.018 -6.454 1.00 0.00 H new ATOM 0 HH TYR A 100 4.366 -4.671 -7.933 1.00 0.00 H new ATOM 1452 N GLU A 101 -1.618 -6.342 -8.378 1.00 0.00 N ATOM 1453 CA GLU A 101 -1.575 -6.781 -9.780 1.00 0.00 C ATOM 1454 C GLU A 101 -0.160 -6.637 -10.329 1.00 0.00 C ATOM 1455 O GLU A 101 0.062 -7.067 -11.449 1.00 0.00 O ATOM 1456 CB GLU A 101 -2.529 -5.939 -10.631 1.00 0.00 C ATOM 1457 CG GLU A 101 -3.915 -5.901 -9.986 1.00 0.00 C ATOM 1458 CD GLU A 101 -4.467 -7.320 -9.843 1.00 0.00 C ATOM 1459 OE1 GLU A 101 -4.076 -8.170 -10.624 1.00 0.00 O ATOM 1460 OE2 GLU A 101 -5.282 -7.529 -8.959 1.00 0.00 O ATOM 1461 OXT GLU A 101 0.629 -5.956 -9.695 1.00 0.00 O ATOM 0 H GLU A 101 -1.415 -5.352 -8.243 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.881 -7.826 -9.822 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.139 -4.926 -10.734 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.598 -6.357 -11.635 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.856 -5.425 -9.007 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.591 -5.299 -10.593 1.00 0.00 H new