USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 399 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 6 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0653 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 30:sc= 0 USER MOD Single : A 9 THR OG1 : rot 164:sc= -1.15 USER MOD Single : A 12 GLN : amide:sc= -3.19! C(o=-3.2!,f=-3.4!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -163:sc= 0.948 (180deg=0.739) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.196! F(o=-1.1,f=-0.2!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -122:sc= 0.324 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -1.53 K(o=-1.5,f=-6.2!) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.336 F(o=-0.91,f=-0.34) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -126:sc= 1.01 USER MOD Single : A 49 SER OG : rot 22:sc= 0.779 USER MOD Single : A 51 GLN : amide:sc= -0.0265 K(o=-0.026,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.276 -14.635 -3.537 1.00 0.00 N ATOM 2 CA GLY A 1 -4.929 -13.298 -3.603 1.00 0.00 C ATOM 3 C GLY A 1 -4.667 -12.589 -4.918 1.00 0.00 C ATOM 4 O GLY A 1 -4.272 -13.215 -5.901 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.976 -15.349 -3.251 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.893 -14.881 -4.472 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.503 -14.610 -2.842 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.004 -13.415 -3.465 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.567 -12.679 -2.782 1.00 0.00 H new ATOM 9 N SER A 2 -4.887 -11.279 -4.934 1.00 0.00 N ATOM 10 CA SER A 2 -4.672 -10.483 -6.137 1.00 0.00 C ATOM 11 C SER A 2 -3.486 -9.539 -5.960 1.00 0.00 C ATOM 12 O SER A 2 -2.712 -9.318 -6.891 1.00 0.00 O ATOM 13 CB SER A 2 -5.930 -9.680 -6.475 1.00 0.00 C ATOM 14 OG SER A 2 -7.081 -10.269 -5.895 1.00 0.00 O ATOM 0 H SER A 2 -5.214 -10.746 -4.128 1.00 0.00 H new ATOM 0 HA SER A 2 -4.452 -11.165 -6.959 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.820 -8.657 -6.115 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.051 -9.626 -7.557 1.00 0.00 H new ATOM 0 HG SER A 2 -7.871 -9.737 -6.124 1.00 0.00 H new ATOM 20 N ALA A 3 -3.352 -8.986 -4.759 1.00 0.00 N ATOM 21 CA ALA A 3 -2.260 -8.067 -4.459 1.00 0.00 C ATOM 22 C ALA A 3 -1.039 -8.808 -3.936 1.00 0.00 C ATOM 23 O ALA A 3 -1.157 -9.821 -3.246 1.00 0.00 O ATOM 24 CB ALA A 3 -2.707 -7.023 -3.452 1.00 0.00 C ATOM 0 H ALA A 3 -3.985 -9.158 -3.978 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.981 -7.569 -5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.880 -6.345 -3.239 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.544 -6.457 -3.862 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -3.018 -7.516 -2.531 1.00 0.00 H new ATOM 30 N ASP A 4 0.133 -8.283 -4.261 1.00 0.00 N ATOM 31 CA ASP A 4 1.387 -8.873 -3.821 1.00 0.00 C ATOM 32 C ASP A 4 2.405 -7.778 -3.543 1.00 0.00 C ATOM 33 O ASP A 4 3.585 -7.906 -3.869 1.00 0.00 O ATOM 34 CB ASP A 4 1.926 -9.844 -4.874 1.00 0.00 C ATOM 35 CG ASP A 4 1.059 -11.079 -5.019 1.00 0.00 C ATOM 36 OD1 ASP A 4 0.775 -11.473 -6.170 1.00 0.00 O ATOM 37 OD2 ASP A 4 0.664 -11.652 -3.983 1.00 0.00 O ATOM 0 H ASP A 4 0.241 -7.444 -4.831 1.00 0.00 H new ATOM 0 HA ASP A 4 1.206 -9.432 -2.903 1.00 0.00 H new ATOM 0 HB2 ASP A 4 1.991 -9.334 -5.835 1.00 0.00 H new ATOM 0 HB3 ASP A 4 2.938 -10.144 -4.603 1.00 0.00 H new ATOM 42 N TYR A 5 1.927 -6.697 -2.940 1.00 0.00 N ATOM 43 CA TYR A 5 2.772 -5.558 -2.610 1.00 0.00 C ATOM 44 C TYR A 5 3.979 -5.991 -1.792 1.00 0.00 C ATOM 45 O TYR A 5 5.043 -5.378 -1.861 1.00 0.00 O ATOM 46 CB TYR A 5 1.962 -4.526 -1.837 1.00 0.00 C ATOM 47 CG TYR A 5 0.710 -4.092 -2.557 1.00 0.00 C ATOM 48 CD1 TYR A 5 -0.519 -4.667 -2.266 1.00 0.00 C ATOM 49 CD2 TYR A 5 0.759 -3.097 -3.520 1.00 0.00 C ATOM 50 CE1 TYR A 5 -1.665 -4.263 -2.917 1.00 0.00 C ATOM 51 CE2 TYR A 5 -0.378 -2.689 -4.179 1.00 0.00 C ATOM 52 CZ TYR A 5 -1.591 -3.272 -3.876 1.00 0.00 C ATOM 53 OH TYR A 5 -2.732 -2.864 -4.529 1.00 0.00 O ATOM 0 H TYR A 5 0.950 -6.586 -2.668 1.00 0.00 H new ATOM 0 HA TYR A 5 3.133 -5.117 -3.539 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.690 -4.940 -0.866 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.586 -3.652 -1.647 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.579 -5.443 -1.518 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.705 -2.634 -3.757 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.615 -4.719 -2.679 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.321 -1.915 -4.930 1.00 0.00 H new ATOM 0 HH TYR A 5 -3.505 -2.974 -3.937 1.00 0.00 H new ATOM 63 N SER A 6 3.803 -7.055 -1.020 1.00 0.00 N ATOM 64 CA SER A 6 4.872 -7.584 -0.186 1.00 0.00 C ATOM 65 C SER A 6 6.152 -7.784 -0.999 1.00 0.00 C ATOM 66 O SER A 6 7.256 -7.745 -0.457 1.00 0.00 O ATOM 67 CB SER A 6 4.424 -8.899 0.450 1.00 0.00 C ATOM 68 OG SER A 6 4.803 -10.012 -0.342 1.00 0.00 O ATOM 0 H SER A 6 2.925 -7.570 -0.955 1.00 0.00 H new ATOM 0 HA SER A 6 5.091 -6.864 0.603 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.862 -8.992 1.444 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.342 -8.893 0.578 1.00 0.00 H new ATOM 0 HG SER A 6 4.504 -10.839 0.091 1.00 0.00 H new ATOM 74 N SER A 7 5.992 -7.986 -2.305 1.00 0.00 N ATOM 75 CA SER A 7 7.129 -8.178 -3.196 1.00 0.00 C ATOM 76 C SER A 7 7.518 -6.860 -3.862 1.00 0.00 C ATOM 77 O SER A 7 8.678 -6.650 -4.219 1.00 0.00 O ATOM 78 CB SER A 7 6.801 -9.225 -4.262 1.00 0.00 C ATOM 79 OG SER A 7 6.077 -10.309 -3.706 1.00 0.00 O ATOM 0 H SER A 7 5.084 -8.021 -2.768 1.00 0.00 H new ATOM 0 HA SER A 7 7.972 -8.532 -2.602 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.218 -8.766 -5.060 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.724 -9.592 -4.712 1.00 0.00 H new ATOM 0 HG SER A 7 5.878 -10.964 -4.408 1.00 0.00 H new ATOM 85 N LEU A 8 6.539 -5.972 -4.021 1.00 0.00 N ATOM 86 CA LEU A 8 6.770 -4.668 -4.635 1.00 0.00 C ATOM 87 C LEU A 8 7.827 -3.887 -3.856 1.00 0.00 C ATOM 88 O LEU A 8 8.555 -4.457 -3.043 1.00 0.00 O ATOM 89 CB LEU A 8 5.459 -3.875 -4.685 1.00 0.00 C ATOM 90 CG LEU A 8 4.872 -3.662 -6.082 1.00 0.00 C ATOM 91 CD1 LEU A 8 3.684 -4.581 -6.304 1.00 0.00 C ATOM 92 CD2 LEU A 8 4.459 -2.208 -6.272 1.00 0.00 C ATOM 0 H LEU A 8 5.574 -6.134 -3.731 1.00 0.00 H new ATOM 0 HA LEU A 8 7.134 -4.821 -5.651 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.719 -4.391 -4.073 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.627 -2.900 -4.228 1.00 0.00 H new ATOM 0 HG LEU A 8 5.640 -3.903 -6.818 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.278 -4.417 -7.302 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.004 -5.619 -6.209 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.916 -4.368 -5.561 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.044 -2.075 -7.271 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.707 -1.943 -5.528 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.330 -1.564 -6.153 1.00 0.00 H new ATOM 104 N THR A 9 7.900 -2.581 -4.099 1.00 0.00 N ATOM 105 CA THR A 9 8.863 -1.733 -3.405 1.00 0.00 C ATOM 106 C THR A 9 8.146 -0.707 -2.535 1.00 0.00 C ATOM 107 O THR A 9 6.978 -0.393 -2.758 1.00 0.00 O ATOM 108 CB THR A 9 9.791 -1.016 -4.395 1.00 0.00 C ATOM 109 OG1 THR A 9 10.246 0.215 -3.852 1.00 0.00 O ATOM 110 CG2 THR A 9 9.146 -0.713 -5.732 1.00 0.00 C ATOM 0 H THR A 9 7.307 -2.090 -4.768 1.00 0.00 H new ATOM 0 HA THR A 9 9.470 -2.378 -2.770 1.00 0.00 H new ATOM 0 HB THR A 9 10.614 -1.711 -4.563 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.019 0.532 -4.364 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.865 -0.206 -6.376 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.830 -1.644 -6.203 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.279 -0.071 -5.580 1.00 0.00 H new ATOM 118 N VAL A 10 8.860 -0.186 -1.547 1.00 0.00 N ATOM 119 CA VAL A 10 8.303 0.806 -0.641 1.00 0.00 C ATOM 120 C VAL A 10 7.909 2.070 -1.390 1.00 0.00 C ATOM 121 O VAL A 10 6.960 2.752 -1.013 1.00 0.00 O ATOM 122 CB VAL A 10 9.310 1.190 0.454 1.00 0.00 C ATOM 123 CG1 VAL A 10 9.473 0.058 1.457 1.00 0.00 C ATOM 124 CG2 VAL A 10 10.645 1.560 -0.176 1.00 0.00 C ATOM 0 H VAL A 10 9.830 -0.436 -1.353 1.00 0.00 H new ATOM 0 HA VAL A 10 7.421 0.355 -0.186 1.00 0.00 H new ATOM 0 HB VAL A 10 8.930 2.057 0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.190 0.351 2.223 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.511 -0.156 1.923 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.834 -0.833 0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.354 1.831 0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.031 0.709 -0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.507 2.406 -0.850 1.00 0.00 H new ATOM 134 N VAL A 11 8.653 2.384 -2.447 1.00 0.00 N ATOM 135 CA VAL A 11 8.388 3.578 -3.238 1.00 0.00 C ATOM 136 C VAL A 11 7.081 3.454 -4.007 1.00 0.00 C ATOM 137 O VAL A 11 6.274 4.383 -4.039 1.00 0.00 O ATOM 138 CB VAL A 11 9.541 3.865 -4.225 1.00 0.00 C ATOM 139 CG1 VAL A 11 10.879 3.746 -3.521 1.00 0.00 C ATOM 140 CG2 VAL A 11 9.488 2.925 -5.424 1.00 0.00 C ATOM 0 H VAL A 11 9.443 1.828 -2.774 1.00 0.00 H new ATOM 0 HA VAL A 11 8.307 4.410 -2.539 1.00 0.00 H new ATOM 0 HB VAL A 11 9.424 4.885 -4.592 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.682 3.951 -4.229 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.925 4.464 -2.703 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.993 2.737 -3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.312 3.152 -6.101 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.573 1.894 -5.082 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.541 3.057 -5.948 1.00 0.00 H new ATOM 150 N GLN A 12 6.876 2.297 -4.621 1.00 0.00 N ATOM 151 CA GLN A 12 5.664 2.056 -5.384 1.00 0.00 C ATOM 152 C GLN A 12 4.489 1.859 -4.448 1.00 0.00 C ATOM 153 O GLN A 12 3.390 2.349 -4.699 1.00 0.00 O ATOM 154 CB GLN A 12 5.822 0.831 -6.286 1.00 0.00 C ATOM 155 CG GLN A 12 6.148 1.179 -7.729 1.00 0.00 C ATOM 156 CD GLN A 12 7.635 1.135 -8.020 1.00 0.00 C ATOM 157 OE1 GLN A 12 8.314 2.161 -7.996 1.00 0.00 O ATOM 158 NE2 GLN A 12 8.149 -0.057 -8.298 1.00 0.00 N ATOM 0 H GLN A 12 7.531 1.515 -4.605 1.00 0.00 H new ATOM 0 HA GLN A 12 5.479 2.926 -6.014 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.612 0.195 -5.887 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.901 0.249 -6.260 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.632 0.484 -8.391 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.767 2.176 -7.953 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.549 -0.882 -8.307 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.144 -0.148 -8.503 1.00 0.00 H new ATOM 167 N LEU A 13 4.737 1.133 -3.365 1.00 0.00 N ATOM 168 CA LEU A 13 3.705 0.856 -2.382 1.00 0.00 C ATOM 169 C LEU A 13 3.087 2.148 -1.854 1.00 0.00 C ATOM 170 O LEU A 13 1.876 2.339 -1.922 1.00 0.00 O ATOM 171 CB LEU A 13 4.272 0.028 -1.227 1.00 0.00 C ATOM 172 CG LEU A 13 3.865 -1.446 -1.235 1.00 0.00 C ATOM 173 CD1 LEU A 13 4.863 -2.266 -2.033 1.00 0.00 C ATOM 174 CD2 LEU A 13 3.753 -1.980 0.184 1.00 0.00 C ATOM 0 H LEU A 13 5.647 0.726 -3.148 1.00 0.00 H new ATOM 0 HA LEU A 13 2.920 0.281 -2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.360 0.090 -1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.950 0.474 -0.286 1.00 0.00 H new ATOM 0 HG LEU A 13 2.888 -1.529 -1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.559 -3.313 -2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.895 -1.901 -3.060 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.852 -2.173 -1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.462 -3.030 0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.716 -1.883 0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.001 -1.410 0.729 1.00 0.00 H new ATOM 186 N LYS A 14 3.921 3.032 -1.325 1.00 0.00 N ATOM 187 CA LYS A 14 3.437 4.296 -0.785 1.00 0.00 C ATOM 188 C LYS A 14 2.964 5.231 -1.895 1.00 0.00 C ATOM 189 O LYS A 14 2.026 6.004 -1.703 1.00 0.00 O ATOM 190 CB LYS A 14 4.526 4.975 0.039 1.00 0.00 C ATOM 191 CG LYS A 14 5.715 5.434 -0.784 1.00 0.00 C ATOM 192 CD LYS A 14 6.728 6.197 0.059 1.00 0.00 C ATOM 193 CE LYS A 14 6.056 7.232 0.948 1.00 0.00 C ATOM 194 NZ LYS A 14 6.894 8.452 1.116 1.00 0.00 N ATOM 0 H LYS A 14 4.930 2.899 -1.258 1.00 0.00 H new ATOM 0 HA LYS A 14 2.586 4.076 -0.141 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.097 5.835 0.553 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.872 4.284 0.808 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.198 4.569 -1.238 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.369 6.069 -1.599 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.289 5.496 0.677 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.447 6.691 -0.595 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.094 7.510 0.518 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.854 6.794 1.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.399 9.131 1.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.802 8.192 1.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.066 8.886 0.187 1.00 0.00 H new ATOM 208 N ASP A 15 3.603 5.154 -3.059 1.00 0.00 N ATOM 209 CA ASP A 15 3.223 5.997 -4.185 1.00 0.00 C ATOM 210 C ASP A 15 1.796 5.674 -4.611 1.00 0.00 C ATOM 211 O ASP A 15 0.949 6.564 -4.747 1.00 0.00 O ATOM 212 CB ASP A 15 4.189 5.790 -5.354 1.00 0.00 C ATOM 213 CG ASP A 15 3.841 6.651 -6.553 1.00 0.00 C ATOM 214 OD1 ASP A 15 4.567 7.636 -6.807 1.00 0.00 O ATOM 215 OD2 ASP A 15 2.844 6.340 -7.238 1.00 0.00 O ATOM 0 H ASP A 15 4.381 4.521 -3.245 1.00 0.00 H new ATOM 0 HA ASP A 15 3.273 7.042 -3.880 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.204 6.019 -5.028 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.178 4.741 -5.649 1.00 0.00 H new ATOM 220 N LEU A 16 1.531 4.389 -4.788 1.00 0.00 N ATOM 221 CA LEU A 16 0.210 3.934 -5.167 1.00 0.00 C ATOM 222 C LEU A 16 -0.758 4.177 -4.020 1.00 0.00 C ATOM 223 O LEU A 16 -1.940 4.410 -4.234 1.00 0.00 O ATOM 224 CB LEU A 16 0.251 2.447 -5.562 1.00 0.00 C ATOM 225 CG LEU A 16 -0.295 1.447 -4.526 1.00 0.00 C ATOM 226 CD1 LEU A 16 -1.234 0.445 -5.175 1.00 0.00 C ATOM 227 CD2 LEU A 16 0.847 0.722 -3.840 1.00 0.00 C ATOM 0 H LEU A 16 2.218 3.644 -4.674 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.136 4.496 -6.035 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.314 2.324 -6.486 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.285 2.181 -5.782 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.858 2.009 -3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.604 -0.249 -4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.074 0.973 -5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.698 -0.109 -5.946 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.445 0.019 -3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.432 0.180 -4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.485 1.446 -3.333 1.00 0.00 H new ATOM 239 N LEU A 17 -0.239 4.104 -2.797 1.00 0.00 N ATOM 240 CA LEU A 17 -1.055 4.302 -1.609 1.00 0.00 C ATOM 241 C LEU A 17 -1.717 5.668 -1.609 1.00 0.00 C ATOM 242 O LEU A 17 -2.940 5.781 -1.520 1.00 0.00 O ATOM 243 CB LEU A 17 -0.185 4.187 -0.366 1.00 0.00 C ATOM 244 CG LEU A 17 -0.045 2.786 0.196 1.00 0.00 C ATOM 245 CD1 LEU A 17 1.021 2.767 1.281 1.00 0.00 C ATOM 246 CD2 LEU A 17 -1.383 2.304 0.728 1.00 0.00 C ATOM 0 H LEU A 17 0.744 3.909 -2.606 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.830 3.536 -1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.809 4.568 -0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.599 4.832 0.409 1.00 0.00 H new ATOM 0 HG LEU A 17 0.267 2.106 -0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.116 1.757 1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.975 3.082 0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.736 3.449 2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.273 1.297 1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.724 2.974 1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.114 2.294 -0.081 1.00 0.00 H new ATOM 258 N THR A 18 -0.900 6.705 -1.720 1.00 0.00 N ATOM 259 CA THR A 18 -1.411 8.067 -1.741 1.00 0.00 C ATOM 260 C THR A 18 -2.265 8.266 -2.982 1.00 0.00 C ATOM 261 O THR A 18 -3.269 8.979 -2.953 1.00 0.00 O ATOM 262 CB THR A 18 -0.272 9.099 -1.688 1.00 0.00 C ATOM 263 OG1 THR A 18 -0.604 10.259 -2.432 1.00 0.00 O ATOM 264 CG2 THR A 18 1.049 8.583 -2.218 1.00 0.00 C ATOM 0 H THR A 18 0.114 6.630 -1.797 1.00 0.00 H new ATOM 0 HA THR A 18 -2.024 8.222 -0.853 1.00 0.00 H new ATOM 0 HB THR A 18 -0.153 9.325 -0.628 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.134 10.902 -2.383 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.801 9.369 -2.147 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.366 7.723 -1.629 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.932 8.286 -3.260 1.00 0.00 H new ATOM 272 N LYS A 19 -1.869 7.615 -4.071 1.00 0.00 N ATOM 273 CA LYS A 19 -2.612 7.707 -5.317 1.00 0.00 C ATOM 274 C LYS A 19 -3.901 6.875 -5.253 1.00 0.00 C ATOM 275 O LYS A 19 -4.774 7.002 -6.111 1.00 0.00 O ATOM 276 CB LYS A 19 -1.745 7.241 -6.488 1.00 0.00 C ATOM 277 CG LYS A 19 -1.015 8.373 -7.193 1.00 0.00 C ATOM 278 CD LYS A 19 0.494 8.195 -7.126 1.00 0.00 C ATOM 279 CE LYS A 19 1.201 8.988 -8.214 1.00 0.00 C ATOM 280 NZ LYS A 19 1.844 8.099 -9.220 1.00 0.00 N ATOM 0 H LYS A 19 -1.041 7.021 -4.113 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.886 8.751 -5.470 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.014 6.520 -6.123 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.374 6.720 -7.210 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.331 8.417 -8.235 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.290 9.324 -6.737 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.855 8.515 -6.149 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.741 7.138 -7.227 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.484 9.640 -8.712 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.956 9.631 -7.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.542 8.642 -9.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.321 7.313 -8.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.119 7.720 -9.862 1.00 0.00 H new ATOM 294 N ARG A 20 -3.998 6.007 -4.242 1.00 0.00 N ATOM 295 CA ARG A 20 -5.157 5.133 -4.068 1.00 0.00 C ATOM 296 C ARG A 20 -6.242 5.786 -3.214 1.00 0.00 C ATOM 297 O ARG A 20 -7.368 5.291 -3.155 1.00 0.00 O ATOM 298 CB ARG A 20 -4.708 3.827 -3.415 1.00 0.00 C ATOM 299 CG ARG A 20 -5.730 2.710 -3.491 1.00 0.00 C ATOM 300 CD ARG A 20 -5.154 1.420 -2.940 1.00 0.00 C ATOM 301 NE ARG A 20 -4.458 0.651 -3.966 1.00 0.00 N ATOM 302 CZ ARG A 20 -5.073 -0.079 -4.893 1.00 0.00 C ATOM 303 NH1 ARG A 20 -6.399 -0.141 -4.926 1.00 0.00 N ATOM 304 NH2 ARG A 20 -4.363 -0.749 -5.791 1.00 0.00 N ATOM 0 H ARG A 20 -3.280 5.892 -3.527 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.584 4.940 -5.052 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.786 3.494 -3.892 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.474 4.019 -2.368 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.621 2.986 -2.927 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.040 2.563 -4.526 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.464 1.649 -2.128 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.957 0.816 -2.516 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.438 0.674 -3.973 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.951 0.372 -4.239 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.866 -0.702 -5.639 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.344 -0.705 -5.772 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.836 -1.308 -6.501 1.00 0.00 H new ATOM 318 N ASN A 21 -5.886 6.886 -2.546 1.00 0.00 N ATOM 319 CA ASN A 21 -6.805 7.627 -1.670 1.00 0.00 C ATOM 320 C ASN A 21 -6.506 7.331 -0.204 1.00 0.00 C ATOM 321 O ASN A 21 -7.019 7.998 0.694 1.00 0.00 O ATOM 322 CB ASN A 21 -8.275 7.314 -1.980 1.00 0.00 C ATOM 323 CG ASN A 21 -9.215 8.388 -1.468 1.00 0.00 C ATOM 324 OD1 ASN A 21 -10.345 8.557 -2.147 1.00 0.00 O flip ATOM 325 ND2 ASN A 21 -8.931 9.059 -0.476 1.00 0.00 N flip ATOM 0 H ASN A 21 -4.951 7.291 -2.596 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.644 8.688 -1.862 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.402 7.208 -3.057 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.542 6.357 -1.532 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.052 8.896 0.016 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.574 9.778 -0.145 1.00 0.00 H new ATOM 332 N LEU A 22 -5.653 6.338 0.029 1.00 0.00 N ATOM 333 CA LEU A 22 -5.261 5.963 1.378 1.00 0.00 C ATOM 334 C LEU A 22 -4.040 6.778 1.796 1.00 0.00 C ATOM 335 O LEU A 22 -3.838 7.890 1.309 1.00 0.00 O ATOM 336 CB LEU A 22 -4.945 4.466 1.439 1.00 0.00 C ATOM 337 CG LEU A 22 -6.055 3.541 0.936 1.00 0.00 C ATOM 338 CD1 LEU A 22 -5.548 2.671 -0.205 1.00 0.00 C ATOM 339 CD2 LEU A 22 -6.580 2.674 2.072 1.00 0.00 C ATOM 0 H LEU A 22 -5.220 5.778 -0.705 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.083 6.170 2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.045 4.278 0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.715 4.202 2.471 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.874 4.156 0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.351 2.019 -0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.217 3.306 -1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.713 2.064 0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.369 2.022 1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.768 2.068 2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.980 3.311 2.861 1.00 0.00 H new ATOM 351 N SER A 23 -3.219 6.226 2.683 1.00 0.00 N ATOM 352 CA SER A 23 -2.024 6.921 3.127 1.00 0.00 C ATOM 353 C SER A 23 -0.827 5.987 3.167 1.00 0.00 C ATOM 354 O SER A 23 -0.917 4.817 2.795 1.00 0.00 O ATOM 355 CB SER A 23 -2.235 7.541 4.503 1.00 0.00 C ATOM 356 OG SER A 23 -3.277 8.502 4.480 1.00 0.00 O ATOM 0 H SER A 23 -3.360 5.307 3.103 1.00 0.00 H new ATOM 0 HA SER A 23 -1.824 7.714 2.407 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.474 6.759 5.224 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.311 8.012 4.838 1.00 0.00 H new ATOM 0 HG SER A 23 -3.391 8.882 5.376 1.00 0.00 H new ATOM 362 N VAL A 24 0.297 6.524 3.615 1.00 0.00 N ATOM 363 CA VAL A 24 1.531 5.765 3.705 1.00 0.00 C ATOM 364 C VAL A 24 2.109 5.811 5.118 1.00 0.00 C ATOM 365 O VAL A 24 3.170 5.247 5.381 1.00 0.00 O ATOM 366 CB VAL A 24 2.568 6.300 2.702 1.00 0.00 C ATOM 367 CG1 VAL A 24 1.908 6.548 1.355 1.00 0.00 C ATOM 368 CG2 VAL A 24 3.215 7.574 3.230 1.00 0.00 C ATOM 0 H VAL A 24 0.378 7.493 3.924 1.00 0.00 H new ATOM 0 HA VAL A 24 1.298 4.728 3.462 1.00 0.00 H new ATOM 0 HB VAL A 24 3.351 5.553 2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.649 6.927 0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.492 5.615 0.977 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.110 7.281 1.470 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.945 7.938 2.507 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.449 8.334 3.385 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.714 7.364 4.176 1.00 0.00 H new ATOM 378 N GLY A 25 1.407 6.483 6.027 1.00 0.00 N ATOM 379 CA GLY A 25 1.870 6.576 7.399 1.00 0.00 C ATOM 380 C GLY A 25 1.786 5.244 8.121 1.00 0.00 C ATOM 381 O GLY A 25 1.066 5.109 9.110 1.00 0.00 O ATOM 0 H GLY A 25 0.528 6.964 5.837 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.901 6.930 7.410 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.274 7.316 7.933 1.00 0.00 H new ATOM 385 N GLY A 26 2.525 4.262 7.619 1.00 0.00 N ATOM 386 CA GLY A 26 2.531 2.943 8.218 1.00 0.00 C ATOM 387 C GLY A 26 3.850 2.236 7.986 1.00 0.00 C ATOM 388 O GLY A 26 4.775 2.359 8.786 1.00 0.00 O ATOM 0 H GLY A 26 3.125 4.359 6.800 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.345 3.027 9.289 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.719 2.348 7.799 1.00 0.00 H new ATOM 392 N LEU A 27 3.932 1.499 6.880 1.00 0.00 N ATOM 393 CA LEU A 27 5.139 0.764 6.513 1.00 0.00 C ATOM 394 C LEU A 27 4.845 -0.166 5.344 1.00 0.00 C ATOM 395 O LEU A 27 3.688 -0.406 5.022 1.00 0.00 O ATOM 396 CB LEU A 27 5.658 -0.036 7.704 1.00 0.00 C ATOM 397 CG LEU A 27 7.105 0.262 8.106 1.00 0.00 C ATOM 398 CD1 LEU A 27 8.069 -0.266 7.058 1.00 0.00 C ATOM 399 CD2 LEU A 27 7.314 1.758 8.315 1.00 0.00 C ATOM 0 H LEU A 27 3.165 1.395 6.215 1.00 0.00 H new ATOM 0 HA LEU A 27 5.907 1.478 6.215 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.012 0.157 8.561 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.573 -1.098 7.473 1.00 0.00 H new ATOM 0 HG LEU A 27 7.305 -0.246 9.050 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.092 -0.045 7.361 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.945 -1.344 6.960 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.863 0.212 6.100 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.349 1.944 8.600 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.091 2.289 7.390 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.651 2.111 9.105 1.00 0.00 H new ATOM 411 N LYS A 28 5.889 -0.686 4.705 1.00 0.00 N ATOM 412 CA LYS A 28 5.707 -1.583 3.567 1.00 0.00 C ATOM 413 C LYS A 28 4.698 -2.683 3.890 1.00 0.00 C ATOM 414 O LYS A 28 3.668 -2.803 3.228 1.00 0.00 O ATOM 415 CB LYS A 28 7.042 -2.205 3.155 1.00 0.00 C ATOM 416 CG LYS A 28 7.098 -2.592 1.687 1.00 0.00 C ATOM 417 CD LYS A 28 8.418 -3.261 1.337 1.00 0.00 C ATOM 418 CE LYS A 28 8.326 -4.017 0.022 1.00 0.00 C ATOM 419 NZ LYS A 28 9.096 -5.292 0.058 1.00 0.00 N ATOM 0 H LYS A 28 6.862 -0.504 4.952 1.00 0.00 H new ATOM 0 HA LYS A 28 5.319 -0.993 2.737 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.845 -1.499 3.368 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.226 -3.090 3.764 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.274 -3.267 1.456 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.964 -1.703 1.070 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.203 -2.508 1.271 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.702 -3.948 2.134 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.281 -4.231 -0.201 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.702 -3.388 -0.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.808 -5.289 -0.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.571 -5.385 0.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.447 -6.093 -0.079 1.00 0.00 H new ATOM 433 N ASN A 29 4.983 -3.469 4.925 1.00 0.00 N ATOM 434 CA ASN A 29 4.079 -4.541 5.333 1.00 0.00 C ATOM 435 C ASN A 29 2.690 -3.974 5.598 1.00 0.00 C ATOM 436 O ASN A 29 1.678 -4.524 5.155 1.00 0.00 O ATOM 437 CB ASN A 29 4.610 -5.241 6.586 1.00 0.00 C ATOM 438 CG ASN A 29 4.831 -4.279 7.736 1.00 0.00 C ATOM 439 OD1 ASN A 29 5.597 -3.322 7.622 1.00 0.00 O ATOM 440 ND2 ASN A 29 4.159 -4.529 8.855 1.00 0.00 N ATOM 0 H ASN A 29 5.826 -3.385 5.493 1.00 0.00 H new ATOM 0 HA ASN A 29 4.018 -5.273 4.528 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.906 -6.014 6.893 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.549 -5.741 6.349 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.268 -3.916 9.663 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.534 -5.334 8.906 1.00 0.00 H new ATOM 447 N GLU A 30 2.659 -2.853 6.306 1.00 0.00 N ATOM 448 CA GLU A 30 1.410 -2.178 6.620 1.00 0.00 C ATOM 449 C GLU A 30 0.762 -1.657 5.344 1.00 0.00 C ATOM 450 O GLU A 30 -0.460 -1.538 5.258 1.00 0.00 O ATOM 451 CB GLU A 30 1.658 -1.025 7.594 1.00 0.00 C ATOM 452 CG GLU A 30 1.492 -1.413 9.053 1.00 0.00 C ATOM 453 CD GLU A 30 0.038 -1.592 9.447 1.00 0.00 C ATOM 454 OE1 GLU A 30 -0.290 -1.355 10.629 1.00 0.00 O ATOM 455 OE2 GLU A 30 -0.771 -1.968 8.574 1.00 0.00 O ATOM 0 H GLU A 30 3.490 -2.391 6.675 1.00 0.00 H new ATOM 0 HA GLU A 30 0.736 -2.893 7.092 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.667 -0.643 7.441 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.970 -0.211 7.363 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.033 -2.340 9.242 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.944 -0.646 9.683 1.00 0.00 H new ATOM 462 N TRP A 31 1.597 -1.347 4.355 1.00 0.00 N ATOM 463 CA TRP A 31 1.122 -0.834 3.081 1.00 0.00 C ATOM 464 C TRP A 31 0.451 -1.945 2.294 1.00 0.00 C ATOM 465 O TRP A 31 -0.584 -1.740 1.665 1.00 0.00 O ATOM 466 CB TRP A 31 2.290 -0.222 2.302 1.00 0.00 C ATOM 467 CG TRP A 31 2.792 1.041 2.934 1.00 0.00 C ATOM 468 CD1 TRP A 31 2.158 1.759 3.906 1.00 0.00 C ATOM 469 CD2 TRP A 31 4.022 1.732 2.663 1.00 0.00 C ATOM 470 NE1 TRP A 31 2.906 2.851 4.250 1.00 0.00 N ATOM 471 CE2 TRP A 31 4.054 2.858 3.507 1.00 0.00 C ATOM 472 CE3 TRP A 31 5.100 1.518 1.794 1.00 0.00 C ATOM 473 CZ2 TRP A 31 5.111 3.759 3.512 1.00 0.00 C ATOM 474 CZ3 TRP A 31 6.150 2.417 1.802 1.00 0.00 C ATOM 475 CH2 TRP A 31 6.151 3.524 2.655 1.00 0.00 C ATOM 0 H TRP A 31 2.610 -1.444 4.416 1.00 0.00 H new ATOM 0 HA TRP A 31 0.383 -0.052 3.253 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.104 -0.945 2.243 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.974 -0.014 1.280 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.203 1.502 4.341 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.649 3.548 4.949 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.110 0.666 1.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.112 4.616 4.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 6.986 2.261 1.136 1.00 0.00 H new ATOM 0 HH2 TRP A 31 6.988 4.206 2.637 1.00 0.00 H new ATOM 486 N VAL A 32 1.033 -3.133 2.362 1.00 0.00 N ATOM 487 CA VAL A 32 0.475 -4.289 1.684 1.00 0.00 C ATOM 488 C VAL A 32 -0.897 -4.617 2.251 1.00 0.00 C ATOM 489 O VAL A 32 -1.844 -4.873 1.512 1.00 0.00 O ATOM 490 CB VAL A 32 1.377 -5.524 1.846 1.00 0.00 C ATOM 491 CG1 VAL A 32 0.828 -6.697 1.044 1.00 0.00 C ATOM 492 CG2 VAL A 32 2.807 -5.198 1.445 1.00 0.00 C ATOM 0 H VAL A 32 1.891 -3.320 2.880 1.00 0.00 H new ATOM 0 HA VAL A 32 0.398 -4.040 0.626 1.00 0.00 H new ATOM 0 HB VAL A 32 1.385 -5.814 2.897 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.480 -7.561 1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.173 -6.942 1.397 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.784 -6.428 -0.011 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.430 -6.084 1.566 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.829 -4.879 0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.189 -4.397 2.078 1.00 0.00 H new ATOM 502 N GLN A 33 -0.990 -4.614 3.575 1.00 0.00 N ATOM 503 CA GLN A 33 -2.241 -4.923 4.250 1.00 0.00 C ATOM 504 C GLN A 33 -3.327 -3.898 3.925 1.00 0.00 C ATOM 505 O GLN A 33 -4.466 -4.268 3.638 1.00 0.00 O ATOM 506 CB GLN A 33 -2.014 -5.003 5.756 1.00 0.00 C ATOM 507 CG GLN A 33 -1.067 -6.121 6.156 1.00 0.00 C ATOM 508 CD GLN A 33 -1.427 -7.452 5.521 1.00 0.00 C ATOM 509 OE1 GLN A 33 -0.950 -7.677 4.299 1.00 0.00 O flip ATOM 510 NE2 GLN A 33 -2.126 -8.270 6.120 1.00 0.00 N flip ATOM 0 H GLN A 33 -0.213 -4.401 4.201 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.588 -5.891 3.888 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.614 -4.052 6.108 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.972 -5.150 6.255 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.051 -5.850 5.870 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.075 -6.227 7.241 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.471 -8.057 7.056 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.360 -9.160 5.680 1.00 0.00 H new ATOM 519 N ARG A 34 -2.980 -2.613 3.969 1.00 0.00 N ATOM 520 CA ARG A 34 -3.952 -1.563 3.674 1.00 0.00 C ATOM 521 C ARG A 34 -4.352 -1.591 2.201 1.00 0.00 C ATOM 522 O ARG A 34 -5.523 -1.411 1.868 1.00 0.00 O ATOM 523 CB ARG A 34 -3.411 -0.182 4.055 1.00 0.00 C ATOM 524 CG ARG A 34 -2.174 0.229 3.292 1.00 0.00 C ATOM 525 CD ARG A 34 -1.841 1.685 3.558 1.00 0.00 C ATOM 526 NE ARG A 34 -1.747 1.982 4.985 1.00 0.00 N ATOM 527 CZ ARG A 34 -2.402 2.973 5.592 1.00 0.00 C ATOM 528 NH1 ARG A 34 -3.223 3.760 4.907 1.00 0.00 N ATOM 529 NH2 ARG A 34 -2.235 3.175 6.891 1.00 0.00 N ATOM 0 H ARG A 34 -2.046 -2.277 4.203 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.839 -1.756 4.277 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.191 0.561 3.888 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.186 -0.173 5.122 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.334 -0.401 3.584 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.331 0.076 2.224 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.896 1.933 3.075 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.605 2.318 3.107 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.140 1.393 5.555 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.358 3.610 3.907 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.719 4.515 5.381 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.607 2.574 7.424 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.735 3.932 7.358 1.00 0.00 H new ATOM 543 N LEU A 35 -3.382 -1.832 1.319 1.00 0.00 N ATOM 544 CA LEU A 35 -3.659 -1.897 -0.112 1.00 0.00 C ATOM 545 C LEU A 35 -4.517 -3.115 -0.425 1.00 0.00 C ATOM 546 O LEU A 35 -5.570 -3.004 -1.053 1.00 0.00 O ATOM 547 CB LEU A 35 -2.361 -1.981 -0.914 1.00 0.00 C ATOM 548 CG LEU A 35 -1.465 -0.746 -0.864 1.00 0.00 C ATOM 549 CD1 LEU A 35 -0.108 -1.073 -1.458 1.00 0.00 C ATOM 550 CD2 LEU A 35 -2.100 0.414 -1.612 1.00 0.00 C ATOM 0 H LEU A 35 -2.405 -1.984 1.570 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.192 -0.989 -0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.789 -2.836 -0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.612 -2.182 -1.955 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.340 -0.449 0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.528 -0.189 -1.420 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.355 -1.878 -0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.231 -1.388 -2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.443 1.282 -1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.254 0.134 -2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.060 0.659 -1.157 1.00 0.00 H new ATOM 562 N ILE A 36 -4.067 -4.278 0.041 1.00 0.00 N ATOM 563 CA ILE A 36 -4.798 -5.520 -0.171 1.00 0.00 C ATOM 564 C ILE A 36 -6.227 -5.379 0.339 1.00 0.00 C ATOM 565 O ILE A 36 -7.172 -5.881 -0.269 1.00 0.00 O ATOM 566 CB ILE A 36 -4.111 -6.708 0.539 1.00 0.00 C ATOM 567 CG1 ILE A 36 -2.726 -6.980 -0.062 1.00 0.00 C ATOM 568 CG2 ILE A 36 -4.974 -7.960 0.453 1.00 0.00 C ATOM 569 CD1 ILE A 36 -1.876 -7.894 0.790 1.00 0.00 C ATOM 0 H ILE A 36 -3.200 -4.384 0.567 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.808 -5.721 -1.242 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.986 -6.442 1.588 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.847 -7.424 -1.050 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.204 -6.033 -0.199 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.471 -8.784 0.959 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.935 -7.773 0.931 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.134 -8.221 -0.593 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.910 -8.046 0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.726 -7.442 1.770 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.378 -8.854 0.906 1.00 0.00 H new ATOM 581 N LYS A 37 -6.373 -4.670 1.454 1.00 0.00 N ATOM 582 CA LYS A 37 -7.677 -4.433 2.045 1.00 0.00 C ATOM 583 C LYS A 37 -8.453 -3.438 1.197 1.00 0.00 C ATOM 584 O LYS A 37 -9.680 -3.497 1.112 1.00 0.00 O ATOM 585 CB LYS A 37 -7.530 -3.906 3.473 1.00 0.00 C ATOM 586 CG LYS A 37 -8.760 -4.138 4.337 1.00 0.00 C ATOM 587 CD LYS A 37 -8.510 -3.734 5.781 1.00 0.00 C ATOM 588 CE LYS A 37 -9.756 -3.913 6.633 1.00 0.00 C ATOM 589 NZ LYS A 37 -9.421 -4.252 8.043 1.00 0.00 N ATOM 0 H LYS A 37 -5.597 -4.249 1.966 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.223 -5.376 2.080 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.671 -4.386 3.942 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.318 -2.837 3.437 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.599 -3.568 3.938 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.042 -5.190 4.296 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.698 -4.333 6.192 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.189 -2.693 5.818 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.346 -2.997 6.610 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.376 -4.702 6.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.298 -4.366 8.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.880 -5.140 8.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.851 -3.488 8.458 1.00 0.00 H new ATOM 603 N ASP A 38 -7.723 -2.521 0.565 1.00 0.00 N ATOM 604 CA ASP A 38 -8.337 -1.513 -0.280 1.00 0.00 C ATOM 605 C ASP A 38 -8.884 -2.143 -1.554 1.00 0.00 C ATOM 606 O ASP A 38 -10.007 -1.856 -1.971 1.00 0.00 O ATOM 607 CB ASP A 38 -7.322 -0.425 -0.627 1.00 0.00 C ATOM 608 CG ASP A 38 -7.986 0.847 -1.114 1.00 0.00 C ATOM 609 OD1 ASP A 38 -8.189 0.980 -2.339 1.00 0.00 O ATOM 610 OD2 ASP A 38 -8.305 1.710 -0.269 1.00 0.00 O ATOM 0 H ASP A 38 -6.707 -2.460 0.625 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.165 -1.063 0.268 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.716 -0.203 0.252 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.644 -0.796 -1.396 1.00 0.00 H new ATOM 615 N ASP A 39 -8.084 -3.010 -2.164 1.00 0.00 N ATOM 616 CA ASP A 39 -8.483 -3.690 -3.389 1.00 0.00 C ATOM 617 C ASP A 39 -9.546 -4.745 -3.096 1.00 0.00 C ATOM 618 O ASP A 39 -10.381 -5.052 -3.947 1.00 0.00 O ATOM 619 CB ASP A 39 -7.268 -4.342 -4.053 1.00 0.00 C ATOM 620 CG ASP A 39 -7.619 -5.020 -5.363 1.00 0.00 C ATOM 621 OD1 ASP A 39 -7.052 -6.097 -5.644 1.00 0.00 O ATOM 622 OD2 ASP A 39 -8.459 -4.473 -6.108 1.00 0.00 O ATOM 0 H ASP A 39 -7.153 -3.259 -1.829 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.905 -2.951 -4.070 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.505 -3.584 -4.232 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.835 -5.075 -3.372 1.00 0.00 H new ATOM 627 N GLU A 40 -9.509 -5.296 -1.887 1.00 0.00 N ATOM 628 CA GLU A 40 -10.469 -6.316 -1.480 1.00 0.00 C ATOM 629 C GLU A 40 -11.806 -5.692 -1.103 1.00 0.00 C ATOM 630 O GLU A 40 -12.840 -6.360 -1.126 1.00 0.00 O ATOM 631 CB GLU A 40 -9.920 -7.130 -0.307 1.00 0.00 C ATOM 632 CG GLU A 40 -9.154 -8.372 -0.734 1.00 0.00 C ATOM 633 CD GLU A 40 -9.108 -9.431 0.351 1.00 0.00 C ATOM 634 OE1 GLU A 40 -8.071 -9.529 1.040 1.00 0.00 O ATOM 635 OE2 GLU A 40 -10.109 -10.160 0.512 1.00 0.00 O ATOM 0 H GLU A 40 -8.824 -5.053 -1.171 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.629 -6.981 -2.328 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.264 -6.496 0.289 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.748 -7.427 0.337 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.618 -8.792 -1.627 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.136 -8.091 -1.006 1.00 0.00 H new ATOM 642 N GLU A 41 -11.785 -4.407 -0.764 1.00 0.00 N ATOM 643 CA GLU A 41 -13.002 -3.696 -0.394 1.00 0.00 C ATOM 644 C GLU A 41 -14.064 -3.815 -1.487 1.00 0.00 C ATOM 645 O GLU A 41 -15.246 -3.574 -1.241 1.00 0.00 O ATOM 646 CB GLU A 41 -12.695 -2.221 -0.126 1.00 0.00 C ATOM 647 CG GLU A 41 -12.125 -1.961 1.260 1.00 0.00 C ATOM 648 CD GLU A 41 -12.897 -0.900 2.020 1.00 0.00 C ATOM 649 OE1 GLU A 41 -14.114 -0.763 1.776 1.00 0.00 O ATOM 650 OE2 GLU A 41 -12.284 -0.208 2.860 1.00 0.00 O ATOM 0 H GLU A 41 -10.939 -3.838 -0.738 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.393 -4.152 0.516 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.987 -1.864 -0.874 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -13.609 -1.640 -0.249 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.132 -2.889 1.831 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.084 -1.651 1.168 1.00 0.00 H new ATOM 657 N SER A 42 -13.639 -4.185 -2.695 1.00 0.00 N ATOM 658 CA SER A 42 -14.564 -4.329 -3.816 1.00 0.00 C ATOM 659 C SER A 42 -14.568 -5.757 -4.360 1.00 0.00 C ATOM 660 O SER A 42 -15.372 -6.095 -5.229 1.00 0.00 O ATOM 661 CB SER A 42 -14.199 -3.350 -4.933 1.00 0.00 C ATOM 662 OG SER A 42 -14.390 -2.008 -4.517 1.00 0.00 O ATOM 0 H SER A 42 -12.665 -4.389 -2.921 1.00 0.00 H new ATOM 0 HA SER A 42 -15.565 -4.103 -3.449 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.160 -3.499 -5.226 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.810 -3.552 -5.812 1.00 0.00 H new ATOM 0 HG SER A 42 -14.148 -1.401 -5.248 1.00 0.00 H new ATOM 668 N LYS A 43 -13.671 -6.594 -3.845 1.00 0.00 N ATOM 669 CA LYS A 43 -13.581 -7.982 -4.283 1.00 0.00 C ATOM 670 C LYS A 43 -13.346 -8.066 -5.789 1.00 0.00 C ATOM 671 O LYS A 43 -13.774 -9.017 -6.442 1.00 0.00 O ATOM 672 CB LYS A 43 -14.858 -8.739 -3.912 1.00 0.00 C ATOM 673 CG LYS A 43 -14.608 -10.173 -3.472 1.00 0.00 C ATOM 674 CD LYS A 43 -15.900 -10.861 -3.061 1.00 0.00 C ATOM 675 CE LYS A 43 -16.746 -11.227 -4.270 1.00 0.00 C ATOM 676 NZ LYS A 43 -16.626 -12.670 -4.617 1.00 0.00 N ATOM 0 H LYS A 43 -12.997 -6.335 -3.125 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.733 -8.442 -3.776 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -15.367 -8.205 -3.110 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -15.531 -8.743 -4.770 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -14.141 -10.728 -4.285 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.908 -10.182 -2.637 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.669 -11.761 -2.492 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -16.469 -10.205 -2.403 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -17.790 -10.988 -4.068 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -16.440 -10.622 -5.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -17.218 -12.878 -5.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.634 -12.893 -4.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.942 -13.248 -3.812 1.00 0.00 H new ATOM 690 N GLY A 44 -12.662 -7.064 -6.333 1.00 0.00 N ATOM 691 CA GLY A 44 -12.382 -7.044 -7.756 1.00 0.00 C ATOM 692 C GLY A 44 -13.203 -6.005 -8.494 1.00 0.00 C ATOM 693 O GLY A 44 -12.795 -4.851 -8.613 1.00 0.00 O ATOM 0 H GLY A 44 -12.297 -6.266 -5.813 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.322 -6.843 -7.912 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.585 -8.029 -8.177 1.00 0.00 H new ATOM 697 N GLU A 45 -14.365 -6.418 -8.992 1.00 0.00 N ATOM 698 CA GLU A 45 -15.247 -5.515 -9.723 1.00 0.00 C ATOM 699 C GLU A 45 -15.689 -4.353 -8.839 1.00 0.00 C ATOM 700 O GLU A 45 -15.741 -4.475 -7.615 1.00 0.00 O ATOM 701 CB GLU A 45 -16.470 -6.276 -10.245 1.00 0.00 C ATOM 702 CG GLU A 45 -16.533 -6.357 -11.761 1.00 0.00 C ATOM 703 CD GLU A 45 -16.169 -7.731 -12.287 1.00 0.00 C ATOM 704 OE1 GLU A 45 -15.063 -8.216 -11.967 1.00 0.00 O ATOM 705 OE2 GLU A 45 -16.989 -8.325 -13.019 1.00 0.00 O ATOM 0 H GLU A 45 -14.717 -7.371 -8.903 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.694 -5.110 -10.570 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.461 -7.286 -9.835 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.374 -5.791 -9.877 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.539 -6.099 -12.093 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.857 -5.617 -12.189 1.00 0.00 H new ATOM 712 N SER A 46 -16.008 -3.226 -9.468 1.00 0.00 N ATOM 713 CA SER A 46 -16.447 -2.042 -8.739 1.00 0.00 C ATOM 714 C SER A 46 -17.796 -2.284 -8.071 1.00 0.00 C ATOM 715 O SER A 46 -18.533 -3.195 -8.449 1.00 0.00 O ATOM 716 CB SER A 46 -16.539 -0.842 -9.683 1.00 0.00 C ATOM 717 OG SER A 46 -16.098 0.344 -9.045 1.00 0.00 O ATOM 0 H SER A 46 -15.971 -3.108 -10.480 1.00 0.00 H new ATOM 0 HA SER A 46 -15.711 -1.829 -7.963 1.00 0.00 H new ATOM 0 HB2 SER A 46 -15.935 -1.027 -10.571 1.00 0.00 H new ATOM 0 HB3 SER A 46 -17.569 -0.717 -10.018 1.00 0.00 H new ATOM 0 HG SER A 46 -16.796 1.029 -9.110 1.00 0.00 H new ATOM 723 N GLU A 47 -18.114 -1.462 -7.075 1.00 0.00 N ATOM 724 CA GLU A 47 -19.376 -1.588 -6.354 1.00 0.00 C ATOM 725 C GLU A 47 -19.650 -0.343 -5.515 1.00 0.00 C ATOM 726 O GLU A 47 -20.759 0.191 -5.523 1.00 0.00 O ATOM 727 CB GLU A 47 -19.354 -2.830 -5.461 1.00 0.00 C ATOM 728 CG GLU A 47 -20.310 -3.922 -5.913 1.00 0.00 C ATOM 729 CD GLU A 47 -21.673 -3.809 -5.260 1.00 0.00 C ATOM 730 OE1 GLU A 47 -22.291 -2.727 -5.355 1.00 0.00 O ATOM 731 OE2 GLU A 47 -22.126 -4.802 -4.652 1.00 0.00 O ATOM 0 H GLU A 47 -17.516 -0.703 -6.749 1.00 0.00 H new ATOM 0 HA GLU A 47 -20.177 -1.691 -7.086 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -18.341 -3.232 -5.437 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -19.605 -2.538 -4.441 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -20.425 -3.874 -6.996 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -19.879 -4.896 -5.681 1.00 0.00 H new ATOM 738 N VAL A 48 -18.633 0.113 -4.792 1.00 0.00 N ATOM 739 CA VAL A 48 -18.765 1.294 -3.947 1.00 0.00 C ATOM 740 C VAL A 48 -17.782 2.383 -4.364 1.00 0.00 C ATOM 741 O VAL A 48 -17.311 3.159 -3.533 1.00 0.00 O ATOM 742 CB VAL A 48 -18.534 0.952 -2.464 1.00 0.00 C ATOM 743 CG1 VAL A 48 -19.732 0.207 -1.894 1.00 0.00 C ATOM 744 CG2 VAL A 48 -17.261 0.137 -2.296 1.00 0.00 C ATOM 0 H VAL A 48 -17.708 -0.317 -4.774 1.00 0.00 H new ATOM 0 HA VAL A 48 -19.784 1.660 -4.074 1.00 0.00 H new ATOM 0 HB VAL A 48 -18.418 1.883 -1.910 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -19.550 -0.026 -0.845 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -20.622 0.831 -1.978 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -19.883 -0.718 -2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -17.114 -0.095 -1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -17.345 -0.790 -2.863 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -16.410 0.711 -2.663 1.00 0.00 H new ATOM 754 N SER A 49 -17.477 2.435 -5.657 1.00 0.00 N ATOM 755 CA SER A 49 -16.550 3.431 -6.183 1.00 0.00 C ATOM 756 C SER A 49 -16.766 3.636 -7.682 1.00 0.00 C ATOM 757 O SER A 49 -16.755 2.676 -8.453 1.00 0.00 O ATOM 758 CB SER A 49 -15.106 3.001 -5.919 1.00 0.00 C ATOM 759 OG SER A 49 -14.703 3.343 -4.604 1.00 0.00 O ATOM 0 H SER A 49 -17.858 1.800 -6.359 1.00 0.00 H new ATOM 0 HA SER A 49 -16.740 4.376 -5.673 1.00 0.00 H new ATOM 0 HB2 SER A 49 -15.012 1.925 -6.063 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.444 3.478 -6.641 1.00 0.00 H new ATOM 0 HG SER A 49 -15.495 3.456 -4.038 1.00 0.00 H new ATOM 765 N PRO A 50 -16.966 4.894 -8.120 1.00 0.00 N ATOM 766 CA PRO A 50 -17.182 5.208 -9.536 1.00 0.00 C ATOM 767 C PRO A 50 -16.086 4.637 -10.430 1.00 0.00 C ATOM 768 O PRO A 50 -16.312 4.369 -11.611 1.00 0.00 O ATOM 769 CB PRO A 50 -17.156 6.739 -9.572 1.00 0.00 C ATOM 770 CG PRO A 50 -17.543 7.157 -8.196 1.00 0.00 C ATOM 771 CD PRO A 50 -16.993 6.103 -7.275 1.00 0.00 C ATOM 0 HA PRO A 50 -18.110 4.776 -9.910 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -16.166 7.112 -9.835 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -17.852 7.129 -10.315 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -17.133 8.138 -7.956 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -18.626 7.232 -8.101 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -15.998 6.364 -6.914 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -17.625 5.966 -6.397 1.00 0.00 H new ATOM 779 N GLN A 51 -14.899 4.454 -9.861 1.00 0.00 N ATOM 780 CA GLN A 51 -13.768 3.915 -10.607 1.00 0.00 C ATOM 781 C GLN A 51 -13.504 2.463 -10.219 1.00 0.00 C ATOM 782 O GLN A 51 -13.612 1.587 -11.103 1.00 0.00 O ATOM 783 CB GLN A 51 -12.516 4.760 -10.357 1.00 0.00 C ATOM 784 CG GLN A 51 -12.216 5.746 -11.475 1.00 0.00 C ATOM 785 CD GLN A 51 -12.703 7.147 -11.163 1.00 0.00 C ATOM 786 OE1 GLN A 51 -13.779 7.330 -10.593 1.00 0.00 O ATOM 787 NE2 GLN A 51 -11.912 8.145 -11.537 1.00 0.00 N ATOM 788 OXT GLN A 51 -13.192 2.215 -9.036 1.00 0.00 O ATOM 0 H GLN A 51 -14.695 4.671 -8.885 1.00 0.00 H new ATOM 0 HA GLN A 51 -14.014 3.949 -11.668 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -12.638 5.308 -9.423 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -11.660 4.098 -10.228 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -11.141 5.770 -11.654 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -12.685 5.399 -12.396 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -11.029 7.947 -12.007 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -12.188 9.110 -11.355 1.00 0.00 H new TER 797 GLN A 51