USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 816 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 29 TYR OH : rot 169:sc= 1.16 USER MOD Set 1.2: A 97 THR OG1 : rot 143:sc= 1 USER MOD Set 2.1: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 65 GLN : amide:sc= -1.28 K(o=-2.7,f=-6.6!) USER MOD Set 3.2: A 79 TYR OH : rot 180:sc= -1.44 USER MOD Single : A 9 SER OG : rot 180:sc= -0.049 USER MOD Single : A 15 LYS NZ :NH3+ -138:sc= 0.776 (180deg=0.0646) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0514 K(o=-0.051,f=-2.7!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -5.1! C(o=-5.1!,f=-12!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.785 USER MOD Single : A 47 ASN : amide:sc= -0.0383 K(o=-0.038,f=-0.55) USER MOD Single : A 53 THR OG1 : rot -25:sc= 1.31 USER MOD Single : A 54 SER OG : rot 180:sc= 0.107 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.479 USER MOD Single : A 59 GLN : amide:sc= -0.0929 K(o=-0.093,f=-1.8!) USER MOD Single : A 63 GLN : amide:sc= -0.0403 X(o=-0.04,f=-0.44) USER MOD Single : A 67 SER OG : rot 104:sc= 0.931 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.053 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.86 K(o=-0.86,f=-3.9) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 78:sc= -0.0792 USER MOD Single : A 89 HIS : +bothHN:sc= 0.491 K(o=0.49,f=-4.2!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 14.578 -2.377 4.362 1.00 43.52 N ATOM 64 CA VAL A 7 15.230 -3.671 4.203 1.00 45.14 C ATOM 65 C VAL A 7 14.625 -4.711 5.141 1.00 71.44 C ATOM 66 O VAL A 7 14.133 -5.750 4.700 1.00 15.13 O ATOM 67 CB VAL A 7 16.743 -3.573 4.473 1.00 22.20 C ATOM 68 CG1 VAL A 7 17.431 -4.890 4.145 1.00 14.33 C ATOM 69 CG2 VAL A 7 17.354 -2.430 3.675 1.00 42.35 C ATOM 0 HA VAL A 7 15.071 -3.981 3.170 1.00 45.14 H new ATOM 0 HB VAL A 7 16.892 -3.367 5.533 1.00 22.20 H new ATOM 0 HG11 VAL A 7 18.499 -4.801 4.342 1.00 14.33 H new ATOM 0 HG12 VAL A 7 17.012 -5.683 4.764 1.00 14.33 H new ATOM 0 HG13 VAL A 7 17.275 -5.130 3.093 1.00 14.33 H new ATOM 0 HG21 VAL A 7 18.424 -2.375 3.878 1.00 42.35 H new ATOM 0 HG22 VAL A 7 17.195 -2.604 2.611 1.00 42.35 H new ATOM 0 HG23 VAL A 7 16.882 -1.491 3.964 1.00 42.35 H new ATOM 79 N LEU A 8 14.663 -4.422 6.437 1.00 45.43 N ATOM 80 CA LEU A 8 14.118 -5.332 7.439 1.00 41.23 C ATOM 81 C LEU A 8 12.966 -4.679 8.198 1.00 42.21 C ATOM 82 O LEU A 8 13.127 -3.613 8.791 1.00 42.44 O ATOM 83 CB LEU A 8 15.212 -5.760 8.419 1.00 32.10 C ATOM 84 CG LEU A 8 16.338 -6.613 7.836 1.00 11.15 C ATOM 85 CD1 LEU A 8 17.301 -7.047 8.931 1.00 43.15 C ATOM 86 CD2 LEU A 8 15.770 -7.824 7.111 1.00 64.35 C ATOM 0 H LEU A 8 15.065 -3.566 6.819 1.00 45.43 H new ATOM 0 HA LEU A 8 13.737 -6.214 6.924 1.00 41.23 H new ATOM 0 HB2 LEU A 8 15.651 -4.863 8.856 1.00 32.10 H new ATOM 0 HB3 LEU A 8 14.746 -6.316 9.233 1.00 32.10 H new ATOM 0 HG LEU A 8 16.889 -6.009 7.115 1.00 11.15 H new ATOM 0 HD11 LEU A 8 18.096 -7.653 8.497 1.00 43.15 H new ATOM 0 HD12 LEU A 8 17.734 -6.166 9.405 1.00 43.15 H new ATOM 0 HD13 LEU A 8 16.764 -7.633 9.677 1.00 43.15 H new ATOM 0 HD21 LEU A 8 16.586 -8.420 6.703 1.00 64.35 H new ATOM 0 HD22 LEU A 8 15.194 -8.430 7.810 1.00 64.35 H new ATOM 0 HD23 LEU A 8 15.122 -7.492 6.300 1.00 64.35 H new ATOM 98 N SER A 9 11.806 -5.328 8.175 1.00 24.31 N ATOM 99 CA SER A 9 10.628 -4.810 8.860 1.00 44.10 C ATOM 100 C SER A 9 10.777 -4.941 10.373 1.00 54.42 C ATOM 101 O SER A 9 11.824 -5.351 10.871 1.00 64.34 O ATOM 102 CB SER A 9 9.373 -5.552 8.393 1.00 31.10 C ATOM 103 OG SER A 9 9.045 -6.606 9.281 1.00 13.42 O ATOM 0 H SER A 9 11.657 -6.213 7.690 1.00 24.31 H new ATOM 0 HA SER A 9 10.530 -3.753 8.613 1.00 44.10 H new ATOM 0 HB2 SER A 9 8.538 -4.855 8.327 1.00 31.10 H new ATOM 0 HB3 SER A 9 9.534 -5.952 7.392 1.00 31.10 H new ATOM 0 HG SER A 9 8.239 -7.064 8.962 1.00 13.42 H new ATOM 109 N GLY A 10 9.719 -4.590 11.098 1.00 71.55 N ATOM 110 CA GLY A 10 9.751 -4.675 12.546 1.00 72.41 C ATOM 111 C GLY A 10 10.138 -6.055 13.038 1.00 40.44 C ATOM 112 O GLY A 10 11.026 -6.197 13.877 1.00 11.31 O ATOM 0 H GLY A 10 8.841 -4.248 10.708 1.00 71.55 H new ATOM 0 HA2 GLY A 10 10.459 -3.943 12.934 1.00 72.41 H new ATOM 0 HA3 GLY A 10 8.771 -4.413 12.944 1.00 72.41 H new ATOM 116 N GLY A 11 9.468 -7.078 12.514 1.00 62.25 N ATOM 117 CA GLY A 11 9.760 -8.441 12.918 1.00 30.33 C ATOM 118 C GLY A 11 11.177 -8.856 12.576 1.00 2.22 C ATOM 119 O GLY A 11 11.897 -9.383 13.423 1.00 12.14 O ATOM 0 H GLY A 11 8.729 -6.987 11.817 1.00 62.25 H new ATOM 0 HA2 GLY A 11 9.605 -8.539 13.992 1.00 30.33 H new ATOM 0 HA3 GLY A 11 9.059 -9.119 12.432 1.00 30.33 H new ATOM 123 N GLU A 12 11.578 -8.618 11.331 1.00 43.15 N ATOM 124 CA GLU A 12 12.917 -8.974 10.879 1.00 2.33 C ATOM 125 C GLU A 12 13.979 -8.250 11.703 1.00 20.31 C ATOM 126 O GLU A 12 15.006 -8.830 12.060 1.00 61.51 O ATOM 127 CB GLU A 12 13.087 -8.635 9.397 1.00 33.32 C ATOM 128 CG GLU A 12 11.934 -9.107 8.528 1.00 44.41 C ATOM 129 CD GLU A 12 12.208 -8.932 7.048 1.00 72.12 C ATOM 130 OE1 GLU A 12 12.102 -7.788 6.557 1.00 31.32 O ATOM 131 OE2 GLU A 12 12.527 -9.936 6.379 1.00 3.22 O ATOM 0 H GLU A 12 10.994 -8.180 10.618 1.00 43.15 H new ATOM 0 HA GLU A 12 13.045 -10.048 11.015 1.00 2.33 H new ATOM 0 HB2 GLU A 12 13.193 -7.555 9.290 1.00 33.32 H new ATOM 0 HB3 GLU A 12 14.012 -9.084 9.034 1.00 33.32 H new ATOM 0 HG2 GLU A 12 11.735 -10.159 8.735 1.00 44.41 H new ATOM 0 HG3 GLU A 12 11.033 -8.554 8.795 1.00 44.41 H new ATOM 138 N LEU A 13 13.725 -6.981 11.999 1.00 63.52 N ATOM 139 CA LEU A 13 14.659 -6.175 12.780 1.00 10.40 C ATOM 140 C LEU A 13 14.911 -6.806 14.146 1.00 42.54 C ATOM 141 O LEU A 13 16.028 -6.772 14.660 1.00 11.44 O ATOM 142 CB LEU A 13 14.117 -4.755 12.953 1.00 43.32 C ATOM 143 CG LEU A 13 15.156 -3.671 13.243 1.00 4.42 C ATOM 144 CD1 LEU A 13 14.535 -2.290 13.116 1.00 34.02 C ATOM 145 CD2 LEU A 13 15.755 -3.864 14.628 1.00 60.21 C ATOM 0 H LEU A 13 12.881 -6.487 11.711 1.00 63.52 H new ATOM 0 HA LEU A 13 15.605 -6.132 12.240 1.00 10.40 H new ATOM 0 HB2 LEU A 13 13.578 -4.480 12.046 1.00 43.32 H new ATOM 0 HB3 LEU A 13 13.391 -4.761 13.766 1.00 43.32 H new ATOM 0 HG LEU A 13 15.957 -3.755 12.508 1.00 4.42 H new ATOM 0 HD11 LEU A 13 15.289 -1.531 13.326 1.00 34.02 H new ATOM 0 HD12 LEU A 13 14.155 -2.154 12.104 1.00 34.02 H new ATOM 0 HD13 LEU A 13 13.715 -2.193 13.827 1.00 34.02 H new ATOM 0 HD21 LEU A 13 16.492 -3.084 14.817 1.00 60.21 H new ATOM 0 HD22 LEU A 13 14.965 -3.807 15.377 1.00 60.21 H new ATOM 0 HD23 LEU A 13 16.237 -4.840 14.683 1.00 60.21 H new ATOM 157 N ASP A 14 13.864 -7.382 14.727 1.00 64.13 N ATOM 158 CA ASP A 14 13.973 -8.023 16.033 1.00 45.25 C ATOM 159 C ASP A 14 14.988 -9.161 15.997 1.00 21.45 C ATOM 160 O ASP A 14 15.983 -9.143 16.724 1.00 52.43 O ATOM 161 CB ASP A 14 12.609 -8.555 16.478 1.00 40.13 C ATOM 162 CG ASP A 14 12.288 -8.193 17.915 1.00 1.31 C ATOM 163 OD1 ASP A 14 13.184 -8.327 18.775 1.00 72.31 O ATOM 164 OD2 ASP A 14 11.141 -7.777 18.180 1.00 54.10 O ATOM 0 H ASP A 14 12.932 -7.418 14.315 1.00 64.13 H new ATOM 0 HA ASP A 14 14.316 -7.277 16.749 1.00 45.25 H new ATOM 0 HB2 ASP A 14 11.835 -8.154 15.824 1.00 40.13 H new ATOM 0 HB3 ASP A 14 12.591 -9.639 16.367 1.00 40.13 H new ATOM 169 N LYS A 15 14.733 -10.150 15.148 1.00 32.30 N ATOM 170 CA LYS A 15 15.624 -11.296 15.016 1.00 73.40 C ATOM 171 C LYS A 15 17.002 -10.860 14.526 1.00 25.32 C ATOM 172 O LYS A 15 18.024 -11.369 14.987 1.00 43.15 O ATOM 173 CB LYS A 15 15.030 -12.322 14.049 1.00 61.02 C ATOM 174 CG LYS A 15 13.854 -13.093 14.627 1.00 35.34 C ATOM 175 CD LYS A 15 12.623 -12.975 13.744 1.00 5.43 C ATOM 176 CE LYS A 15 11.344 -13.035 14.564 1.00 52.43 C ATOM 177 NZ LYS A 15 10.566 -11.768 14.471 1.00 44.31 N ATOM 0 H LYS A 15 13.915 -10.181 14.540 1.00 32.30 H new ATOM 0 HA LYS A 15 15.734 -11.753 15.999 1.00 73.40 H new ATOM 0 HB2 LYS A 15 14.708 -11.810 13.142 1.00 61.02 H new ATOM 0 HB3 LYS A 15 15.808 -13.027 13.758 1.00 61.02 H new ATOM 0 HG2 LYS A 15 14.125 -14.143 14.737 1.00 35.34 H new ATOM 0 HG3 LYS A 15 13.625 -12.716 15.624 1.00 35.34 H new ATOM 0 HD2 LYS A 15 12.659 -12.036 13.191 1.00 5.43 H new ATOM 0 HD3 LYS A 15 12.623 -13.779 13.008 1.00 5.43 H new ATOM 0 HE2 LYS A 15 10.729 -13.865 14.217 1.00 52.43 H new ATOM 0 HE3 LYS A 15 11.590 -13.234 15.607 1.00 52.43 H new ATOM 0 HZ1 LYS A 15 10.199 -11.516 15.411 1.00 44.31 H new ATOM 0 HZ2 LYS A 15 11.183 -11.006 14.124 1.00 44.31 H new ATOM 0 HZ3 LYS A 15 9.771 -11.896 13.813 1.00 44.31 H new ATOM 191 N TRP A 16 17.021 -9.915 13.593 1.00 22.41 N ATOM 192 CA TRP A 16 18.275 -9.410 13.044 1.00 52.12 C ATOM 193 C TRP A 16 19.214 -8.958 14.156 1.00 24.32 C ATOM 194 O TRP A 16 20.380 -9.351 14.193 1.00 60.11 O ATOM 195 CB TRP A 16 18.004 -8.249 12.086 1.00 54.13 C ATOM 196 CG TRP A 16 19.251 -7.562 11.617 1.00 63.45 C ATOM 197 CD1 TRP A 16 19.787 -6.410 12.115 1.00 32.34 C ATOM 198 CD2 TRP A 16 20.115 -7.984 10.558 1.00 12.44 C ATOM 199 NE1 TRP A 16 20.934 -6.089 11.428 1.00 24.01 N ATOM 200 CE2 TRP A 16 21.157 -7.040 10.468 1.00 43.11 C ATOM 201 CE3 TRP A 16 20.113 -9.069 9.676 1.00 71.34 C ATOM 202 CZ2 TRP A 16 22.182 -7.150 9.532 1.00 20.41 C ATOM 203 CZ3 TRP A 16 21.130 -9.175 8.747 1.00 44.43 C ATOM 204 CH2 TRP A 16 22.154 -8.221 8.682 1.00 50.54 C ATOM 0 H TRP A 16 16.184 -9.483 13.201 1.00 22.41 H new ATOM 0 HA TRP A 16 18.755 -10.221 12.496 1.00 52.12 H new ATOM 0 HB2 TRP A 16 17.456 -8.622 11.221 1.00 54.13 H new ATOM 0 HB3 TRP A 16 17.361 -7.521 12.581 1.00 54.13 H new ATOM 0 HD1 TRP A 16 19.371 -5.835 12.929 1.00 32.34 H new ATOM 0 HE1 TRP A 16 21.523 -5.275 11.605 1.00 24.01 H new ATOM 0 HE3 TRP A 16 19.330 -9.811 9.720 1.00 71.34 H new ATOM 0 HZ2 TRP A 16 22.972 -6.415 9.479 1.00 20.41 H new ATOM 0 HZ3 TRP A 16 21.136 -10.008 8.059 1.00 44.43 H new ATOM 0 HH2 TRP A 16 22.937 -8.334 7.946 1.00 50.54 H new ATOM 215 N GLU A 17 18.700 -8.132 15.062 1.00 52.23 N ATOM 216 CA GLU A 17 19.495 -7.627 16.175 1.00 1.44 C ATOM 217 C GLU A 17 19.967 -8.771 17.068 1.00 74.40 C ATOM 218 O GLU A 17 20.975 -8.655 17.765 1.00 33.14 O ATOM 219 CB GLU A 17 18.683 -6.625 16.998 1.00 52.23 C ATOM 220 CG GLU A 17 18.880 -5.182 16.564 1.00 71.31 C ATOM 221 CD GLU A 17 18.796 -4.208 17.723 1.00 61.50 C ATOM 222 OE1 GLU A 17 19.841 -3.953 18.359 1.00 74.51 O ATOM 223 OE2 GLU A 17 17.688 -3.702 17.996 1.00 3.10 O ATOM 0 H GLU A 17 17.736 -7.798 15.047 1.00 52.23 H new ATOM 0 HA GLU A 17 20.370 -7.124 15.764 1.00 1.44 H new ATOM 0 HB2 GLU A 17 17.625 -6.878 16.922 1.00 52.23 H new ATOM 0 HB3 GLU A 17 18.959 -6.721 18.048 1.00 52.23 H new ATOM 0 HG2 GLU A 17 19.851 -5.082 16.079 1.00 71.31 H new ATOM 0 HG3 GLU A 17 18.125 -4.923 15.821 1.00 71.31 H new ATOM 230 N LYS A 18 19.230 -9.876 17.043 1.00 40.20 N ATOM 231 CA LYS A 18 19.572 -11.043 17.850 1.00 55.22 C ATOM 232 C LYS A 18 20.759 -11.790 17.250 1.00 40.11 C ATOM 233 O LYS A 18 21.727 -12.095 17.945 1.00 3.04 O ATOM 234 CB LYS A 18 18.369 -11.981 17.962 1.00 15.41 C ATOM 235 CG LYS A 18 18.193 -12.583 19.345 1.00 14.14 C ATOM 236 CD LYS A 18 16.955 -13.462 19.418 1.00 32.11 C ATOM 237 CE LYS A 18 17.231 -14.859 18.882 1.00 64.34 C ATOM 238 NZ LYS A 18 16.602 -15.076 17.551 1.00 4.34 N ATOM 0 H LYS A 18 18.392 -9.989 16.473 1.00 40.20 H new ATOM 0 HA LYS A 18 19.849 -10.697 18.846 1.00 55.22 H new ATOM 0 HB2 LYS A 18 17.465 -11.432 17.696 1.00 15.41 H new ATOM 0 HB3 LYS A 18 18.478 -12.786 17.236 1.00 15.41 H new ATOM 0 HG2 LYS A 18 19.074 -13.172 19.601 1.00 14.14 H new ATOM 0 HG3 LYS A 18 18.117 -11.785 20.083 1.00 14.14 H new ATOM 0 HD2 LYS A 18 16.615 -13.528 20.451 1.00 32.11 H new ATOM 0 HD3 LYS A 18 16.148 -13.004 18.846 1.00 32.11 H new ATOM 0 HE2 LYS A 18 18.307 -15.012 18.804 1.00 64.34 H new ATOM 0 HE3 LYS A 18 16.854 -15.600 19.587 1.00 64.34 H new ATOM 0 HZ1 LYS A 18 16.813 -16.039 17.220 1.00 4.34 H new ATOM 0 HZ2 LYS A 18 15.572 -14.955 17.630 1.00 4.34 H new ATOM 0 HZ3 LYS A 18 16.981 -14.386 16.871 1.00 4.34 H new ATOM 252 N ILE A 19 20.677 -12.080 15.955 1.00 34.41 N ATOM 253 CA ILE A 19 21.746 -12.788 15.262 1.00 65.32 C ATOM 254 C ILE A 19 23.095 -12.120 15.504 1.00 41.52 C ATOM 255 O ILE A 19 23.195 -10.893 15.532 1.00 24.32 O ATOM 256 CB ILE A 19 21.484 -12.858 13.747 1.00 50.30 C ATOM 257 CG1 ILE A 19 20.138 -13.532 13.469 1.00 24.31 C ATOM 258 CG2 ILE A 19 22.610 -13.607 13.049 1.00 15.15 C ATOM 259 CD1 ILE A 19 19.266 -12.764 12.501 1.00 32.01 C ATOM 0 H ILE A 19 19.881 -11.835 15.365 1.00 34.41 H new ATOM 0 HA ILE A 19 21.768 -13.800 15.666 1.00 65.32 H new ATOM 0 HB ILE A 19 21.449 -11.842 13.353 1.00 50.30 H new ATOM 0 HG12 ILE A 19 20.316 -14.531 13.071 1.00 24.31 H new ATOM 0 HG13 ILE A 19 19.601 -13.655 14.410 1.00 24.31 H new ATOM 0 HG21 ILE A 19 22.411 -13.648 11.978 1.00 15.15 H new ATOM 0 HG22 ILE A 19 23.554 -13.090 13.223 1.00 15.15 H new ATOM 0 HG23 ILE A 19 22.674 -14.620 13.446 1.00 15.15 H new ATOM 0 HD11 ILE A 19 18.329 -13.300 12.351 1.00 32.01 H new ATOM 0 HD12 ILE A 19 19.057 -11.774 12.906 1.00 32.01 H new ATOM 0 HD13 ILE A 19 19.783 -12.663 11.547 1.00 32.01 H new ATOM 271 N ARG A 20 24.131 -12.935 15.675 1.00 73.13 N ATOM 272 CA ARG A 20 25.475 -12.424 15.913 1.00 74.51 C ATOM 273 C ARG A 20 26.352 -12.602 14.677 1.00 54.34 C ATOM 274 O ARG A 20 26.169 -13.543 13.904 1.00 3.14 O ATOM 275 CB ARG A 20 26.110 -13.134 17.109 1.00 2.33 C ATOM 276 CG ARG A 20 25.297 -13.019 18.388 1.00 65.11 C ATOM 277 CD ARG A 20 25.286 -14.329 19.161 1.00 75.02 C ATOM 278 NE ARG A 20 25.549 -14.126 20.583 1.00 5.20 N ATOM 279 CZ ARG A 20 24.706 -13.515 21.407 1.00 32.32 C ATOM 280 NH1 ARG A 20 23.551 -13.048 20.953 1.00 62.22 N ATOM 281 NH2 ARG A 20 25.016 -13.370 22.689 1.00 2.15 N ATOM 0 H ARG A 20 24.065 -13.953 15.653 1.00 73.13 H new ATOM 0 HA ARG A 20 25.397 -11.359 16.131 1.00 74.51 H new ATOM 0 HB2 ARG A 20 26.242 -14.188 16.866 1.00 2.33 H new ATOM 0 HB3 ARG A 20 27.103 -12.719 17.281 1.00 2.33 H new ATOM 0 HG2 ARG A 20 25.712 -12.229 19.014 1.00 65.11 H new ATOM 0 HG3 ARG A 20 24.274 -12.730 18.146 1.00 65.11 H new ATOM 0 HD2 ARG A 20 24.318 -14.815 19.037 1.00 75.02 H new ATOM 0 HD3 ARG A 20 26.036 -15.002 18.746 1.00 75.02 H new ATOM 0 HE ARG A 20 26.429 -14.473 20.964 1.00 5.20 H new ATOM 0 HH11 ARG A 20 23.308 -13.158 19.968 1.00 62.22 H new ATOM 0 HH12 ARG A 20 22.905 -12.579 21.588 1.00 62.22 H new ATOM 0 HH21 ARG A 20 25.903 -13.728 23.043 1.00 2.15 H new ATOM 0 HH22 ARG A 20 24.367 -12.900 23.321 1.00 2.15 H new ATOM 295 N LEU A 21 27.303 -11.693 14.496 1.00 71.14 N ATOM 296 CA LEU A 21 28.208 -11.749 13.354 1.00 11.22 C ATOM 297 C LEU A 21 28.951 -13.081 13.312 1.00 64.35 C ATOM 298 O LEU A 21 29.293 -13.580 12.241 1.00 52.42 O ATOM 299 CB LEU A 21 29.210 -10.594 13.414 1.00 43.14 C ATOM 300 CG LEU A 21 28.614 -9.187 13.393 1.00 42.13 C ATOM 301 CD1 LEU A 21 29.677 -8.151 13.723 1.00 10.11 C ATOM 302 CD2 LEU A 21 27.983 -8.894 12.040 1.00 70.11 C ATOM 0 H LEU A 21 27.468 -10.908 15.126 1.00 71.14 H new ATOM 0 HA LEU A 21 27.612 -11.658 12.446 1.00 11.22 H new ATOM 0 HB2 LEU A 21 29.804 -10.702 14.321 1.00 43.14 H new ATOM 0 HB3 LEU A 21 29.895 -10.689 12.571 1.00 43.14 H new ATOM 0 HG LEU A 21 27.835 -9.133 14.154 1.00 42.13 H new ATOM 0 HD11 LEU A 21 29.233 -7.156 13.703 1.00 10.11 H new ATOM 0 HD12 LEU A 21 30.082 -8.348 14.716 1.00 10.11 H new ATOM 0 HD13 LEU A 21 30.479 -8.206 12.987 1.00 10.11 H new ATOM 0 HD21 LEU A 21 27.564 -7.888 12.044 1.00 70.11 H new ATOM 0 HD22 LEU A 21 28.742 -8.968 11.261 1.00 70.11 H new ATOM 0 HD23 LEU A 21 27.190 -9.616 11.844 1.00 70.11 H new ATOM 314 N ARG A 22 29.196 -13.651 14.488 1.00 12.23 N ATOM 315 CA ARG A 22 29.897 -14.925 14.587 1.00 3.04 C ATOM 316 C ARG A 22 29.356 -15.757 15.747 1.00 73.33 C ATOM 317 O ARG A 22 28.730 -15.240 16.672 1.00 40.32 O ATOM 318 CB ARG A 22 31.399 -14.693 14.770 1.00 32.12 C ATOM 319 CG ARG A 22 32.208 -14.908 13.500 1.00 44.03 C ATOM 320 CD ARG A 22 33.644 -15.297 13.813 1.00 65.35 C ATOM 321 NE ARG A 22 34.435 -15.493 12.602 1.00 45.22 N ATOM 322 CZ ARG A 22 34.366 -16.586 11.849 1.00 23.20 C ATOM 323 NH1 ARG A 22 33.548 -17.574 12.182 1.00 41.50 N ATOM 324 NH2 ARG A 22 35.118 -16.691 10.761 1.00 35.12 N ATOM 0 H ARG A 22 28.919 -13.251 15.384 1.00 12.23 H new ATOM 0 HA ARG A 22 29.730 -15.474 13.660 1.00 3.04 H new ATOM 0 HB2 ARG A 22 31.560 -13.675 15.125 1.00 32.12 H new ATOM 0 HB3 ARG A 22 31.770 -15.364 15.545 1.00 32.12 H new ATOM 0 HG2 ARG A 22 31.742 -15.688 12.898 1.00 44.03 H new ATOM 0 HG3 ARG A 22 32.199 -13.996 12.903 1.00 44.03 H new ATOM 0 HD2 ARG A 22 34.104 -14.521 14.425 1.00 65.35 H new ATOM 0 HD3 ARG A 22 33.651 -16.214 14.403 1.00 65.35 H new ATOM 0 HE ARG A 22 35.075 -14.751 12.318 1.00 45.22 H new ATOM 0 HH11 ARG A 22 32.969 -17.497 13.018 1.00 41.50 H new ATOM 0 HH12 ARG A 22 33.497 -18.412 11.602 1.00 41.50 H new ATOM 0 HH21 ARG A 22 35.749 -15.933 10.502 1.00 35.12 H new ATOM 0 HH22 ARG A 22 35.065 -17.530 10.183 1.00 35.12 H new ATOM 338 N PRO A 23 29.601 -17.074 15.696 1.00 22.02 N ATOM 339 CA PRO A 23 29.147 -18.004 16.735 1.00 34.31 C ATOM 340 C PRO A 23 29.896 -17.814 18.050 1.00 44.11 C ATOM 341 O PRO A 23 29.332 -17.998 19.128 1.00 74.13 O ATOM 342 CB PRO A 23 29.453 -19.379 16.137 1.00 25.40 C ATOM 343 CG PRO A 23 30.567 -19.136 15.179 1.00 0.05 C ATOM 344 CD PRO A 23 30.342 -17.758 14.623 1.00 32.41 C ATOM 0 HA PRO A 23 28.096 -17.857 16.984 1.00 34.31 H new ATOM 0 HB2 PRO A 23 29.743 -20.091 16.910 1.00 25.40 H new ATOM 0 HB3 PRO A 23 28.581 -19.794 15.633 1.00 25.40 H new ATOM 0 HG2 PRO A 23 31.533 -19.202 15.679 1.00 0.05 H new ATOM 0 HG3 PRO A 23 30.568 -19.882 14.384 1.00 0.05 H new ATOM 0 HD2 PRO A 23 31.284 -17.255 14.401 1.00 32.41 H new ATOM 0 HD3 PRO A 23 29.770 -17.787 13.695 1.00 32.41 H new ATOM 352 N GLY A 24 31.170 -17.447 17.953 1.00 32.03 N ATOM 353 CA GLY A 24 31.974 -17.240 19.143 1.00 32.21 C ATOM 354 C GLY A 24 32.387 -15.791 19.318 1.00 41.32 C ATOM 355 O GLY A 24 33.576 -15.480 19.372 1.00 33.21 O ATOM 0 H GLY A 24 31.659 -17.289 17.072 1.00 32.03 H new ATOM 0 HA2 GLY A 24 31.411 -17.563 20.019 1.00 32.21 H new ATOM 0 HA3 GLY A 24 32.865 -17.865 19.089 1.00 32.21 H new ATOM 359 N GLY A 25 31.401 -14.903 19.406 1.00 62.10 N ATOM 360 CA GLY A 25 31.688 -13.490 19.573 1.00 25.24 C ATOM 361 C GLY A 25 30.729 -12.813 20.532 1.00 11.41 C ATOM 362 O GLY A 25 29.920 -13.474 21.182 1.00 43.00 O ATOM 0 H GLY A 25 30.409 -15.137 19.365 1.00 62.10 H new ATOM 0 HA2 GLY A 25 32.708 -13.370 19.939 1.00 25.24 H new ATOM 0 HA3 GLY A 25 31.637 -12.995 18.603 1.00 25.24 H new ATOM 366 N LYS A 26 30.819 -11.490 20.620 1.00 11.21 N ATOM 367 CA LYS A 26 29.953 -10.722 21.506 1.00 72.01 C ATOM 368 C LYS A 26 29.463 -9.451 20.819 1.00 41.24 C ATOM 369 O LYS A 26 29.141 -8.462 21.478 1.00 73.52 O ATOM 370 CB LYS A 26 30.696 -10.363 22.795 1.00 3.21 C ATOM 371 CG LYS A 26 30.746 -11.497 23.804 1.00 3.35 C ATOM 372 CD LYS A 26 30.052 -11.120 25.102 1.00 0.45 C ATOM 373 CE LYS A 26 30.944 -10.257 25.981 1.00 11.33 C ATOM 374 NZ LYS A 26 31.346 -10.964 27.228 1.00 12.11 N ATOM 0 H LYS A 26 31.483 -10.928 20.088 1.00 11.21 H new ATOM 0 HA LYS A 26 29.088 -11.339 21.752 1.00 72.01 H new ATOM 0 HB2 LYS A 26 31.714 -10.064 22.546 1.00 3.21 H new ATOM 0 HB3 LYS A 26 30.214 -9.500 23.254 1.00 3.21 H new ATOM 0 HG2 LYS A 26 30.272 -12.383 23.381 1.00 3.35 H new ATOM 0 HG3 LYS A 26 31.784 -11.758 24.008 1.00 3.35 H new ATOM 0 HD2 LYS A 26 29.130 -10.583 24.880 1.00 0.45 H new ATOM 0 HD3 LYS A 26 29.772 -12.024 25.642 1.00 0.45 H new ATOM 0 HE2 LYS A 26 31.835 -9.970 25.423 1.00 11.33 H new ATOM 0 HE3 LYS A 26 30.419 -9.337 26.238 1.00 11.33 H new ATOM 0 HZ1 LYS A 26 31.953 -10.342 27.799 1.00 12.11 H new ATOM 0 HZ2 LYS A 26 30.497 -11.216 27.774 1.00 12.11 H new ATOM 0 HZ3 LYS A 26 31.869 -11.829 26.983 1.00 12.11 H new ATOM 388 N LYS A 27 29.407 -9.485 19.493 1.00 54.21 N ATOM 389 CA LYS A 27 28.953 -8.338 18.715 1.00 21.50 C ATOM 390 C LYS A 27 27.742 -8.703 17.862 1.00 60.01 C ATOM 391 O LYS A 27 27.885 -9.128 16.717 1.00 41.43 O ATOM 392 CB LYS A 27 30.082 -7.822 17.821 1.00 22.14 C ATOM 393 CG LYS A 27 29.976 -6.341 17.500 1.00 51.43 C ATOM 394 CD LYS A 27 30.744 -5.988 16.237 1.00 51.55 C ATOM 395 CE LYS A 27 31.727 -4.855 16.480 1.00 25.41 C ATOM 396 NZ LYS A 27 31.796 -3.921 15.323 1.00 23.24 N ATOM 0 H LYS A 27 29.671 -10.296 18.933 1.00 54.21 H new ATOM 0 HA LYS A 27 28.661 -7.552 19.412 1.00 21.50 H new ATOM 0 HB2 LYS A 27 31.037 -8.011 18.311 1.00 22.14 H new ATOM 0 HB3 LYS A 27 30.084 -8.388 16.889 1.00 22.14 H new ATOM 0 HG2 LYS A 27 28.928 -6.068 17.378 1.00 51.43 H new ATOM 0 HG3 LYS A 27 30.362 -5.758 18.336 1.00 51.43 H new ATOM 0 HD2 LYS A 27 31.281 -6.866 15.879 1.00 51.55 H new ATOM 0 HD3 LYS A 27 30.044 -5.701 15.452 1.00 51.55 H new ATOM 0 HE2 LYS A 27 31.433 -4.305 17.374 1.00 25.41 H new ATOM 0 HE3 LYS A 27 32.717 -5.269 16.672 1.00 25.41 H new ATOM 0 HZ1 LYS A 27 32.477 -3.163 15.529 1.00 23.24 H new ATOM 0 HZ2 LYS A 27 32.102 -4.440 14.475 1.00 23.24 H new ATOM 0 HZ3 LYS A 27 30.857 -3.506 15.155 1.00 23.24 H new ATOM 410 N GLN A 28 26.552 -8.532 18.429 1.00 4.22 N ATOM 411 CA GLN A 28 25.317 -8.843 17.719 1.00 4.31 C ATOM 412 C GLN A 28 25.221 -8.050 16.420 1.00 51.14 C ATOM 413 O GLN A 28 26.067 -7.203 16.135 1.00 75.42 O ATOM 414 CB GLN A 28 24.106 -8.544 18.604 1.00 41.42 C ATOM 415 CG GLN A 28 24.221 -9.117 20.008 1.00 35.43 C ATOM 416 CD GLN A 28 24.593 -8.067 21.036 1.00 61.03 C ATOM 417 OE1 GLN A 28 25.258 -7.080 20.721 1.00 63.51 O ATOM 418 NE2 GLN A 28 24.164 -8.274 22.276 1.00 11.41 N ATOM 0 H GLN A 28 26.417 -8.180 19.377 1.00 4.22 H new ATOM 0 HA GLN A 28 25.326 -9.905 17.475 1.00 4.31 H new ATOM 0 HB2 GLN A 28 23.973 -7.464 18.671 1.00 41.42 H new ATOM 0 HB3 GLN A 28 23.211 -8.946 18.129 1.00 41.42 H new ATOM 0 HG2 GLN A 28 23.273 -9.575 20.289 1.00 35.43 H new ATOM 0 HG3 GLN A 28 24.971 -9.908 20.014 1.00 35.43 H new ATOM 0 HE21 GLN A 28 23.615 -9.106 22.494 1.00 11.41 H new ATOM 0 HE22 GLN A 28 24.383 -7.601 23.011 1.00 11.41 H new ATOM 427 N TYR A 29 24.185 -8.330 15.637 1.00 13.45 N ATOM 428 CA TYR A 29 23.981 -7.645 14.366 1.00 74.14 C ATOM 429 C TYR A 29 23.248 -6.323 14.572 1.00 70.31 C ATOM 430 O TYR A 29 22.437 -6.185 15.489 1.00 73.33 O ATOM 431 CB TYR A 29 23.190 -8.534 13.405 1.00 14.10 C ATOM 432 CG TYR A 29 24.053 -9.237 12.381 1.00 21.01 C ATOM 433 CD1 TYR A 29 24.514 -8.567 11.255 1.00 11.01 C ATOM 434 CD2 TYR A 29 24.408 -10.571 12.541 1.00 41.42 C ATOM 435 CE1 TYR A 29 25.303 -9.204 10.317 1.00 3.41 C ATOM 436 CE2 TYR A 29 25.197 -11.217 11.609 1.00 33.30 C ATOM 437 CZ TYR A 29 25.642 -10.530 10.499 1.00 34.31 C ATOM 438 OH TYR A 29 26.427 -11.169 9.568 1.00 0.25 O ATOM 0 H TYR A 29 23.474 -9.026 15.860 1.00 13.45 H new ATOM 0 HA TYR A 29 24.960 -7.435 13.934 1.00 74.14 H new ATOM 0 HB2 TYR A 29 22.643 -9.281 13.981 1.00 14.10 H new ATOM 0 HB3 TYR A 29 22.449 -7.925 12.887 1.00 14.10 H new ATOM 0 HD1 TYR A 29 24.251 -7.530 11.110 1.00 11.01 H new ATOM 0 HD2 TYR A 29 24.061 -11.112 13.409 1.00 41.42 H new ATOM 0 HE1 TYR A 29 25.652 -8.668 9.447 1.00 3.41 H new ATOM 0 HE2 TYR A 29 25.464 -12.254 11.749 1.00 33.30 H new ATOM 0 HH TYR A 29 26.723 -12.032 9.926 1.00 0.25 H new ATOM 448 N LYS A 30 23.539 -5.353 13.713 1.00 33.22 N ATOM 449 CA LYS A 30 22.909 -4.040 13.797 1.00 42.21 C ATOM 450 C LYS A 30 22.800 -3.399 12.418 1.00 40.20 C ATOM 451 O LYS A 30 23.376 -3.892 11.446 1.00 60.25 O ATOM 452 CB LYS A 30 23.705 -3.129 14.734 1.00 73.55 C ATOM 453 CG LYS A 30 22.876 -2.549 15.868 1.00 52.25 C ATOM 454 CD LYS A 30 22.867 -1.030 15.831 1.00 53.24 C ATOM 455 CE LYS A 30 21.870 -0.454 16.826 1.00 2.13 C ATOM 456 NZ LYS A 30 22.541 0.377 17.864 1.00 31.03 N ATOM 0 H LYS A 30 24.208 -5.451 12.949 1.00 33.22 H new ATOM 0 HA LYS A 30 21.903 -4.172 14.196 1.00 42.21 H new ATOM 0 HB2 LYS A 30 24.537 -3.693 15.155 1.00 73.55 H new ATOM 0 HB3 LYS A 30 24.135 -2.312 14.154 1.00 73.55 H new ATOM 0 HG2 LYS A 30 21.854 -2.922 15.800 1.00 52.25 H new ATOM 0 HG3 LYS A 30 23.276 -2.888 16.823 1.00 52.25 H new ATOM 0 HD2 LYS A 30 23.865 -0.654 16.055 1.00 53.24 H new ATOM 0 HD3 LYS A 30 22.617 -0.691 14.826 1.00 53.24 H new ATOM 0 HE2 LYS A 30 21.135 0.151 16.295 1.00 2.13 H new ATOM 0 HE3 LYS A 30 21.326 -1.267 17.307 1.00 2.13 H new ATOM 0 HZ1 LYS A 30 21.829 0.751 18.523 1.00 31.03 H new ATOM 0 HZ2 LYS A 30 23.224 -0.207 18.388 1.00 31.03 H new ATOM 0 HZ3 LYS A 30 23.039 1.167 17.407 1.00 31.03 H new ATOM 470 N LEU A 31 22.060 -2.299 12.339 1.00 35.35 N ATOM 471 CA LEU A 31 21.878 -1.589 11.077 1.00 35.31 C ATOM 472 C LEU A 31 23.223 -1.266 10.434 1.00 60.43 C ATOM 473 O LEU A 31 23.332 -1.168 9.212 1.00 73.40 O ATOM 474 CB LEU A 31 21.086 -0.300 11.305 1.00 55.41 C ATOM 475 CG LEU A 31 19.658 -0.473 11.822 1.00 64.54 C ATOM 476 CD1 LEU A 31 19.289 0.664 12.762 1.00 75.41 C ATOM 477 CD2 LEU A 31 18.674 -0.549 10.663 1.00 30.44 C ATOM 0 H LEU A 31 21.576 -1.879 13.133 1.00 35.35 H new ATOM 0 HA LEU A 31 21.320 -2.237 10.401 1.00 35.31 H new ATOM 0 HB2 LEU A 31 21.635 0.320 12.014 1.00 55.41 H new ATOM 0 HB3 LEU A 31 21.047 0.250 10.365 1.00 55.41 H new ATOM 0 HG LEU A 31 19.606 -1.409 12.378 1.00 64.54 H new ATOM 0 HD11 LEU A 31 18.269 0.524 13.120 1.00 75.41 H new ATOM 0 HD12 LEU A 31 19.973 0.671 13.610 1.00 75.41 H new ATOM 0 HD13 LEU A 31 19.360 1.613 12.230 1.00 75.41 H new ATOM 0 HD21 LEU A 31 17.663 -0.672 11.051 1.00 30.44 H new ATOM 0 HD22 LEU A 31 18.729 0.369 10.078 1.00 30.44 H new ATOM 0 HD23 LEU A 31 18.925 -1.399 10.028 1.00 30.44 H new ATOM 489 N LYS A 32 24.246 -1.102 11.266 1.00 24.11 N ATOM 490 CA LYS A 32 25.586 -0.793 10.781 1.00 3.32 C ATOM 491 C LYS A 32 26.015 -1.782 9.703 1.00 4.42 C ATOM 492 O LYS A 32 26.651 -1.406 8.718 1.00 12.02 O ATOM 493 CB LYS A 32 26.588 -0.817 11.938 1.00 32.23 C ATOM 494 CG LYS A 32 26.830 0.547 12.560 1.00 71.31 C ATOM 495 CD LYS A 32 25.560 1.111 13.177 1.00 34.34 C ATOM 496 CE LYS A 32 25.864 1.947 14.412 1.00 13.12 C ATOM 497 NZ LYS A 32 26.313 3.321 14.055 1.00 14.02 N ATOM 0 H LYS A 32 24.172 -1.178 12.280 1.00 24.11 H new ATOM 0 HA LYS A 32 25.567 0.206 10.346 1.00 3.32 H new ATOM 0 HB2 LYS A 32 26.226 -1.499 12.707 1.00 32.23 H new ATOM 0 HB3 LYS A 32 27.536 -1.217 11.578 1.00 32.23 H new ATOM 0 HG2 LYS A 32 27.603 0.468 13.324 1.00 71.31 H new ATOM 0 HG3 LYS A 32 27.203 1.234 11.800 1.00 71.31 H new ATOM 0 HD2 LYS A 32 25.038 1.723 12.442 1.00 34.34 H new ATOM 0 HD3 LYS A 32 24.890 0.294 13.445 1.00 34.34 H new ATOM 0 HE2 LYS A 32 24.974 2.007 15.038 1.00 13.12 H new ATOM 0 HE3 LYS A 32 26.636 1.455 15.003 1.00 13.12 H new ATOM 0 HZ1 LYS A 32 26.510 3.858 14.923 1.00 14.02 H new ATOM 0 HZ2 LYS A 32 27.177 3.265 13.479 1.00 14.02 H new ATOM 0 HZ3 LYS A 32 25.566 3.801 13.513 1.00 14.02 H new ATOM 511 N HIS A 33 25.663 -3.050 9.895 1.00 15.11 N ATOM 512 CA HIS A 33 26.011 -4.095 8.936 1.00 71.44 C ATOM 513 C HIS A 33 25.104 -4.030 7.711 1.00 75.15 C ATOM 514 O HIS A 33 25.606 -4.302 6.620 1.00 42.32 O ATOM 515 CB HIS A 33 25.904 -5.473 9.591 1.00 54.21 C ATOM 516 CG HIS A 33 26.605 -5.563 10.912 1.00 12.43 C ATOM 517 ND1 HIS A 33 25.951 -5.841 12.093 1.00 21.12 N ATOM 518 CD2 HIS A 33 27.911 -5.413 11.233 1.00 64.34 C ATOM 519 CE1 HIS A 33 26.824 -5.856 13.085 1.00 13.14 C ATOM 520 NE2 HIS A 33 28.022 -5.600 12.588 1.00 30.30 N ATOM 0 H HIS A 33 25.138 -3.379 10.705 1.00 15.11 H new ATOM 0 HA HIS A 33 27.040 -3.932 8.615 1.00 71.44 H new ATOM 0 HB2 HIS A 33 24.851 -5.720 9.730 1.00 54.21 H new ATOM 0 HB3 HIS A 33 26.320 -6.221 8.916 1.00 54.21 H new ATOM 0 HD2 HIS A 33 28.716 -5.188 10.550 1.00 64.34 H new ATOM 0 HE1 HIS A 33 26.598 -6.045 14.124 1.00 13.14 H new ATOM 0 HE2 HIS A 33 28.888 -5.550 13.124 1.00 30.30 H new ATOM 528 N ILE A 34 23.826 -3.689 7.855 1.00 31.44 N ATOM 529 CA ILE A 34 22.924 -3.613 6.713 1.00 72.13 C ATOM 530 C ILE A 34 23.318 -2.477 5.775 1.00 23.21 C ATOM 531 O ILE A 34 23.213 -2.601 4.554 1.00 23.21 O ATOM 532 CB ILE A 34 21.465 -3.409 7.162 1.00 50.13 C ATOM 533 CG1 ILE A 34 21.089 -4.438 8.232 1.00 31.24 C ATOM 534 CG2 ILE A 34 20.525 -3.509 5.971 1.00 11.12 C ATOM 535 CD1 ILE A 34 19.672 -4.291 8.739 1.00 44.14 C ATOM 0 H ILE A 34 23.394 -3.462 8.750 1.00 31.44 H new ATOM 0 HA ILE A 34 23.005 -4.562 6.184 1.00 72.13 H new ATOM 0 HB ILE A 34 21.369 -2.412 7.593 1.00 50.13 H new ATOM 0 HG12 ILE A 34 21.218 -5.440 7.822 1.00 31.24 H new ATOM 0 HG13 ILE A 34 21.778 -4.346 9.071 1.00 31.24 H new ATOM 0 HG21 ILE A 34 19.498 -3.363 6.305 1.00 11.12 H new ATOM 0 HG22 ILE A 34 20.782 -2.743 5.240 1.00 11.12 H new ATOM 0 HG23 ILE A 34 20.621 -4.494 5.513 1.00 11.12 H new ATOM 0 HD11 ILE A 34 19.475 -5.052 9.494 1.00 44.14 H new ATOM 0 HD12 ILE A 34 19.544 -3.302 9.179 1.00 44.14 H new ATOM 0 HD13 ILE A 34 18.975 -4.413 7.910 1.00 44.14 H new ATOM 547 N VAL A 35 23.775 -1.371 6.354 1.00 53.32 N ATOM 548 CA VAL A 35 24.189 -0.214 5.569 1.00 62.34 C ATOM 549 C VAL A 35 25.614 -0.379 5.055 1.00 63.11 C ATOM 550 O VAL A 35 25.931 0.020 3.935 1.00 31.21 O ATOM 551 CB VAL A 35 24.099 1.084 6.394 1.00 40.13 C ATOM 552 CG1 VAL A 35 24.567 2.274 5.569 1.00 64.31 C ATOM 553 CG2 VAL A 35 22.679 1.299 6.896 1.00 64.31 C ATOM 0 H VAL A 35 23.868 -1.252 7.363 1.00 53.32 H new ATOM 0 HA VAL A 35 23.507 -0.146 4.722 1.00 62.34 H new ATOM 0 HB VAL A 35 24.756 0.991 7.259 1.00 40.13 H new ATOM 0 HG11 VAL A 35 24.497 3.182 6.168 1.00 64.31 H new ATOM 0 HG12 VAL A 35 25.602 2.120 5.263 1.00 64.31 H new ATOM 0 HG13 VAL A 35 23.938 2.373 4.684 1.00 64.31 H new ATOM 0 HG21 VAL A 35 22.634 2.220 7.477 1.00 64.31 H new ATOM 0 HG22 VAL A 35 22.000 1.372 6.047 1.00 64.31 H new ATOM 0 HG23 VAL A 35 22.384 0.459 7.525 1.00 64.31 H new ATOM 563 N TRP A 36 26.470 -0.969 5.881 1.00 22.32 N ATOM 564 CA TRP A 36 27.864 -1.189 5.511 1.00 75.22 C ATOM 565 C TRP A 36 27.963 -1.988 4.217 1.00 0.20 C ATOM 566 O TRP A 36 28.878 -1.784 3.419 1.00 41.53 O ATOM 567 CB TRP A 36 28.604 -1.916 6.634 1.00 51.42 C ATOM 568 CG TRP A 36 30.001 -2.314 6.264 1.00 62.00 C ATOM 569 CD1 TRP A 36 31.154 -1.667 6.604 1.00 51.54 C ATOM 570 CD2 TRP A 36 30.390 -3.449 5.482 1.00 15.10 C ATOM 571 NE1 TRP A 36 32.238 -2.330 6.081 1.00 55.52 N ATOM 572 CE2 TRP A 36 31.795 -3.427 5.388 1.00 25.24 C ATOM 573 CE3 TRP A 36 29.689 -4.481 4.854 1.00 33.33 C ATOM 574 CZ2 TRP A 36 32.510 -4.398 4.691 1.00 35.30 C ATOM 575 CZ3 TRP A 36 30.400 -5.443 4.161 1.00 41.25 C ATOM 576 CH2 TRP A 36 31.798 -5.396 4.085 1.00 4.40 C ATOM 0 H TRP A 36 26.223 -1.304 6.812 1.00 22.32 H new ATOM 0 HA TRP A 36 28.330 -0.216 5.352 1.00 75.22 H new ATOM 0 HB2 TRP A 36 28.638 -1.273 7.513 1.00 51.42 H new ATOM 0 HB3 TRP A 36 28.042 -2.807 6.913 1.00 51.42 H new ATOM 0 HD1 TRP A 36 31.206 -0.766 7.197 1.00 51.54 H new ATOM 0 HE1 TRP A 36 33.213 -2.051 6.190 1.00 55.52 H new ATOM 0 HE3 TRP A 36 28.611 -4.527 4.909 1.00 33.33 H new ATOM 0 HZ2 TRP A 36 33.588 -4.364 4.631 1.00 35.30 H new ATOM 0 HZ3 TRP A 36 29.868 -6.245 3.670 1.00 41.25 H new ATOM 0 HH2 TRP A 36 32.324 -6.163 3.537 1.00 4.40 H new ATOM 587 N ALA A 37 27.016 -2.899 4.015 1.00 33.11 N ATOM 588 CA ALA A 37 26.997 -3.728 2.816 1.00 62.13 C ATOM 589 C ALA A 37 26.425 -2.962 1.628 1.00 44.05 C ATOM 590 O ALA A 37 26.972 -3.008 0.526 1.00 43.20 O ATOM 591 CB ALA A 37 26.193 -4.996 3.064 1.00 4.32 C ATOM 0 H ALA A 37 26.252 -3.081 4.666 1.00 33.11 H new ATOM 0 HA ALA A 37 28.025 -4.002 2.578 1.00 62.13 H new ATOM 0 HB1 ALA A 37 26.187 -5.606 2.160 1.00 4.32 H new ATOM 0 HB2 ALA A 37 26.646 -5.560 3.879 1.00 4.32 H new ATOM 0 HB3 ALA A 37 25.170 -4.732 3.330 1.00 4.32 H new ATOM 597 N SER A 38 25.321 -2.259 1.859 1.00 34.53 N ATOM 598 CA SER A 38 24.673 -1.486 0.806 1.00 34.10 C ATOM 599 C SER A 38 25.664 -0.539 0.137 1.00 23.12 C ATOM 600 O SER A 38 25.641 -0.356 -1.080 1.00 23.22 O ATOM 601 CB SER A 38 23.497 -0.691 1.378 1.00 42.22 C ATOM 602 OG SER A 38 23.421 0.598 0.794 1.00 52.33 O ATOM 0 H SER A 38 24.857 -2.209 2.766 1.00 34.53 H new ATOM 0 HA SER A 38 24.301 -2.183 0.055 1.00 34.10 H new ATOM 0 HB2 SER A 38 22.567 -1.231 1.198 1.00 42.22 H new ATOM 0 HB3 SER A 38 23.608 -0.598 2.458 1.00 42.22 H new ATOM 0 HG SER A 38 22.661 1.085 1.175 1.00 52.33 H new ATOM 608 N ARG A 39 26.535 0.061 0.943 1.00 65.24 N ATOM 609 CA ARG A 39 27.535 0.990 0.432 1.00 75.45 C ATOM 610 C ARG A 39 28.584 0.257 -0.398 1.00 20.52 C ATOM 611 O ARG A 39 29.209 0.842 -1.283 1.00 1.43 O ATOM 612 CB ARG A 39 28.210 1.734 1.586 1.00 42.43 C ATOM 613 CG ARG A 39 27.555 3.064 1.920 1.00 13.22 C ATOM 614 CD ARG A 39 28.542 4.025 2.564 1.00 41.52 C ATOM 615 NE ARG A 39 28.007 4.623 3.784 1.00 72.04 N ATOM 616 CZ ARG A 39 27.846 3.955 4.921 1.00 21.51 C ATOM 617 NH1 ARG A 39 28.180 2.674 4.994 1.00 1.25 N ATOM 618 NH2 ARG A 39 27.354 4.569 5.989 1.00 54.42 N ATOM 0 H ARG A 39 26.568 -0.080 1.953 1.00 65.24 H new ATOM 0 HA ARG A 39 27.029 1.712 -0.209 1.00 75.45 H new ATOM 0 HB2 ARG A 39 28.197 1.100 2.472 1.00 42.43 H new ATOM 0 HB3 ARG A 39 29.256 1.907 1.333 1.00 42.43 H new ATOM 0 HG2 ARG A 39 27.151 3.510 1.011 1.00 13.22 H new ATOM 0 HG3 ARG A 39 26.715 2.898 2.594 1.00 13.22 H new ATOM 0 HD2 ARG A 39 29.466 3.495 2.795 1.00 41.52 H new ATOM 0 HD3 ARG A 39 28.796 4.813 1.855 1.00 41.52 H new ATOM 0 HE ARG A 39 27.742 5.608 3.762 1.00 72.04 H new ATOM 0 HH11 ARG A 39 28.562 2.199 4.176 1.00 1.25 H new ATOM 0 HH12 ARG A 39 28.055 2.163 5.868 1.00 1.25 H new ATOM 0 HH21 ARG A 39 27.099 5.555 5.938 1.00 54.42 H new ATOM 0 HH22 ARG A 39 27.231 4.055 6.861 1.00 54.42 H new ATOM 632 N GLU A 40 28.773 -1.026 -0.105 1.00 74.44 N ATOM 633 CA GLU A 40 29.748 -1.838 -0.823 1.00 11.01 C ATOM 634 C GLU A 40 29.135 -2.434 -2.087 1.00 74.32 C ATOM 635 O GLU A 40 29.836 -2.704 -3.063 1.00 21.44 O ATOM 636 CB GLU A 40 30.275 -2.957 0.077 1.00 21.45 C ATOM 637 CG GLU A 40 31.698 -3.380 -0.247 1.00 1.05 C ATOM 638 CD GLU A 40 32.720 -2.322 0.123 1.00 4.34 C ATOM 639 OE1 GLU A 40 32.784 -1.952 1.314 1.00 74.41 O ATOM 640 OE2 GLU A 40 33.455 -1.865 -0.777 1.00 44.20 O ATOM 0 H GLU A 40 28.264 -1.525 0.624 1.00 74.44 H new ATOM 0 HA GLU A 40 30.577 -1.192 -1.112 1.00 11.01 H new ATOM 0 HB2 GLU A 40 30.230 -2.628 1.115 1.00 21.45 H new ATOM 0 HB3 GLU A 40 29.619 -3.823 -0.012 1.00 21.45 H new ATOM 0 HG2 GLU A 40 31.928 -4.304 0.284 1.00 1.05 H new ATOM 0 HG3 GLU A 40 31.775 -3.597 -1.312 1.00 1.05 H new ATOM 647 N LEU A 41 27.822 -2.635 -2.062 1.00 23.14 N ATOM 648 CA LEU A 41 27.113 -3.199 -3.205 1.00 72.24 C ATOM 649 C LEU A 41 27.138 -2.238 -4.390 1.00 70.24 C ATOM 650 O LEU A 41 27.453 -2.630 -5.513 1.00 22.52 O ATOM 651 CB LEU A 41 25.667 -3.521 -2.826 1.00 64.22 C ATOM 652 CG LEU A 41 25.405 -4.941 -2.322 1.00 40.31 C ATOM 653 CD1 LEU A 41 23.947 -5.106 -1.925 1.00 63.44 C ATOM 654 CD2 LEU A 41 25.789 -5.962 -3.383 1.00 55.11 C ATOM 0 H LEU A 41 27.227 -2.416 -1.263 1.00 23.14 H new ATOM 0 HA LEU A 41 27.619 -4.119 -3.496 1.00 72.24 H new ATOM 0 HB2 LEU A 41 25.350 -2.819 -2.055 1.00 64.22 H new ATOM 0 HB3 LEU A 41 25.036 -3.344 -3.697 1.00 64.22 H new ATOM 0 HG LEU A 41 26.022 -5.113 -1.440 1.00 40.31 H new ATOM 0 HD11 LEU A 41 23.780 -6.123 -1.569 1.00 63.44 H new ATOM 0 HD12 LEU A 41 23.704 -4.399 -1.132 1.00 63.44 H new ATOM 0 HD13 LEU A 41 23.311 -4.915 -2.789 1.00 63.44 H new ATOM 0 HD21 LEU A 41 25.596 -6.967 -3.008 1.00 55.11 H new ATOM 0 HD22 LEU A 41 25.198 -5.791 -4.283 1.00 55.11 H new ATOM 0 HD23 LEU A 41 26.848 -5.860 -3.619 1.00 55.11 H new ATOM 666 N GLU A 42 26.804 -0.978 -4.129 1.00 31.25 N ATOM 667 CA GLU A 42 26.790 0.039 -5.175 1.00 61.30 C ATOM 668 C GLU A 42 28.142 0.114 -5.879 1.00 60.43 C ATOM 669 O GLU A 42 28.227 0.517 -7.039 1.00 52.31 O ATOM 670 CB GLU A 42 26.434 1.405 -4.583 1.00 45.12 C ATOM 671 CG GLU A 42 25.005 1.837 -4.866 1.00 24.03 C ATOM 672 CD GLU A 42 24.928 3.182 -5.560 1.00 34.21 C ATOM 673 OE1 GLU A 42 25.432 3.293 -6.697 1.00 73.00 O ATOM 674 OE2 GLU A 42 24.365 4.125 -4.966 1.00 52.45 O ATOM 0 H GLU A 42 26.540 -0.637 -3.205 1.00 31.25 H new ATOM 0 HA GLU A 42 26.033 -0.240 -5.908 1.00 61.30 H new ATOM 0 HB2 GLU A 42 26.589 1.376 -3.504 1.00 45.12 H new ATOM 0 HB3 GLU A 42 27.117 2.154 -4.983 1.00 45.12 H new ATOM 0 HG2 GLU A 42 24.518 1.084 -5.486 1.00 24.03 H new ATOM 0 HG3 GLU A 42 24.451 1.884 -3.928 1.00 24.03 H new ATOM 681 N ARG A 43 29.195 -0.274 -5.168 1.00 61.22 N ATOM 682 CA ARG A 43 30.543 -0.249 -5.723 1.00 52.20 C ATOM 683 C ARG A 43 30.730 -1.365 -6.748 1.00 52.43 C ATOM 684 O ARG A 43 31.533 -1.244 -7.674 1.00 43.15 O ATOM 685 CB ARG A 43 31.580 -0.389 -4.608 1.00 40.33 C ATOM 686 CG ARG A 43 32.821 0.463 -4.820 1.00 61.14 C ATOM 687 CD ARG A 43 33.191 1.231 -3.561 1.00 60.33 C ATOM 688 NE ARG A 43 32.438 2.479 -3.440 1.00 5.23 N ATOM 689 CZ ARG A 43 32.523 3.287 -2.390 1.00 74.53 C ATOM 690 NH1 ARG A 43 33.322 2.984 -1.376 1.00 55.12 N ATOM 691 NH2 ARG A 43 31.807 4.406 -2.354 1.00 45.53 N ATOM 0 H ARG A 43 29.141 -0.610 -4.206 1.00 61.22 H new ATOM 0 HA ARG A 43 30.684 0.709 -6.223 1.00 52.20 H new ATOM 0 HB2 ARG A 43 31.120 -0.115 -3.659 1.00 40.33 H new ATOM 0 HB3 ARG A 43 31.877 -1.435 -4.529 1.00 40.33 H new ATOM 0 HG2 ARG A 43 33.654 -0.174 -5.117 1.00 61.14 H new ATOM 0 HG3 ARG A 43 32.648 1.163 -5.637 1.00 61.14 H new ATOM 0 HD2 ARG A 43 33.002 0.607 -2.687 1.00 60.33 H new ATOM 0 HD3 ARG A 43 34.259 1.451 -3.571 1.00 60.33 H new ATOM 0 HE ARG A 43 31.814 2.743 -4.203 1.00 5.23 H new ATOM 0 HH11 ARG A 43 33.875 2.127 -1.401 1.00 55.12 H new ATOM 0 HH12 ARG A 43 33.384 3.608 -0.571 1.00 55.12 H new ATOM 0 HH21 ARG A 43 31.193 4.644 -3.133 1.00 45.53 H new ATOM 0 HH22 ARG A 43 31.872 5.027 -1.548 1.00 45.53 H new ATOM 705 N PHE A 44 29.982 -2.450 -6.577 1.00 41.14 N ATOM 706 CA PHE A 44 30.066 -3.588 -7.485 1.00 71.23 C ATOM 707 C PHE A 44 28.980 -3.510 -8.554 1.00 41.33 C ATOM 708 O PHE A 44 28.557 -4.530 -9.098 1.00 55.44 O ATOM 709 CB PHE A 44 29.939 -4.899 -6.707 1.00 54.32 C ATOM 710 CG PHE A 44 31.190 -5.281 -5.969 1.00 64.51 C ATOM 711 CD1 PHE A 44 32.411 -5.322 -6.622 1.00 2.04 C ATOM 712 CD2 PHE A 44 31.145 -5.597 -4.620 1.00 73.41 C ATOM 713 CE1 PHE A 44 33.564 -5.674 -5.944 1.00 55.23 C ATOM 714 CE2 PHE A 44 32.294 -5.949 -3.937 1.00 43.00 C ATOM 715 CZ PHE A 44 33.506 -5.986 -4.600 1.00 53.54 C ATOM 0 H PHE A 44 29.311 -2.565 -5.818 1.00 41.14 H new ATOM 0 HA PHE A 44 31.039 -3.559 -7.976 1.00 71.23 H new ATOM 0 HB2 PHE A 44 29.119 -4.812 -5.995 1.00 54.32 H new ATOM 0 HB3 PHE A 44 29.676 -5.699 -7.399 1.00 54.32 H new ATOM 0 HD1 PHE A 44 32.463 -5.076 -7.672 1.00 2.04 H new ATOM 0 HD2 PHE A 44 30.201 -5.568 -4.096 1.00 73.41 H new ATOM 0 HE1 PHE A 44 34.509 -5.705 -6.465 1.00 55.23 H new ATOM 0 HE2 PHE A 44 32.245 -6.195 -2.887 1.00 43.00 H new ATOM 0 HZ PHE A 44 34.406 -6.258 -4.068 1.00 53.54 H new ATOM 725 N ALA A 45 28.533 -2.295 -8.848 1.00 75.25 N ATOM 726 CA ALA A 45 27.497 -2.084 -9.852 1.00 34.12 C ATOM 727 C ALA A 45 26.183 -2.732 -9.432 1.00 62.21 C ATOM 728 O ALA A 45 25.332 -3.033 -10.268 1.00 51.30 O ATOM 729 CB ALA A 45 27.950 -2.628 -11.199 1.00 41.43 C ATOM 0 H ALA A 45 28.872 -1.441 -8.405 1.00 75.25 H new ATOM 0 HA ALA A 45 27.328 -1.011 -9.943 1.00 34.12 H new ATOM 0 HB1 ALA A 45 27.167 -2.464 -11.940 1.00 41.43 H new ATOM 0 HB2 ALA A 45 28.859 -2.114 -11.512 1.00 41.43 H new ATOM 0 HB3 ALA A 45 28.149 -3.696 -11.112 1.00 41.43 H new ATOM 735 N VAL A 46 26.024 -2.946 -8.129 1.00 33.03 N ATOM 736 CA VAL A 46 24.813 -3.559 -7.596 1.00 33.34 C ATOM 737 C VAL A 46 24.086 -2.608 -6.653 1.00 2.41 C ATOM 738 O VAL A 46 24.675 -2.082 -5.710 1.00 71.33 O ATOM 739 CB VAL A 46 25.130 -4.867 -6.847 1.00 50.43 C ATOM 740 CG1 VAL A 46 23.861 -5.469 -6.263 1.00 55.00 C ATOM 741 CG2 VAL A 46 25.822 -5.857 -7.772 1.00 72.51 C ATOM 0 H VAL A 46 26.719 -2.704 -7.423 1.00 33.03 H new ATOM 0 HA VAL A 46 24.170 -3.784 -8.447 1.00 33.34 H new ATOM 0 HB VAL A 46 25.808 -4.639 -6.024 1.00 50.43 H new ATOM 0 HG11 VAL A 46 24.105 -6.392 -5.738 1.00 55.00 H new ATOM 0 HG12 VAL A 46 23.411 -4.763 -5.566 1.00 55.00 H new ATOM 0 HG13 VAL A 46 23.157 -5.684 -7.067 1.00 55.00 H new ATOM 0 HG21 VAL A 46 26.038 -6.775 -7.226 1.00 72.51 H new ATOM 0 HG22 VAL A 46 25.171 -6.082 -8.617 1.00 72.51 H new ATOM 0 HG23 VAL A 46 26.753 -5.424 -8.137 1.00 72.51 H new ATOM 751 N ASN A 47 22.800 -2.395 -6.913 1.00 13.02 N ATOM 752 CA ASN A 47 21.991 -1.507 -6.086 1.00 51.55 C ATOM 753 C ASN A 47 21.731 -2.126 -4.716 1.00 31.04 C ATOM 754 O ASN A 47 21.531 -3.333 -4.581 1.00 64.42 O ATOM 755 CB ASN A 47 20.662 -1.201 -6.780 1.00 64.15 C ATOM 756 CG ASN A 47 20.634 0.188 -7.389 1.00 51.11 C ATOM 757 OD1 ASN A 47 21.666 0.718 -7.799 1.00 74.02 O ATOM 758 ND2 ASN A 47 19.447 0.783 -7.450 1.00 22.42 N ATOM 0 H ASN A 47 22.296 -2.825 -7.689 1.00 13.02 H new ATOM 0 HA ASN A 47 22.543 -0.578 -5.946 1.00 51.55 H new ATOM 0 HB2 ASN A 47 20.484 -1.941 -7.561 1.00 64.15 H new ATOM 0 HB3 ASN A 47 19.849 -1.296 -6.060 1.00 64.15 H new ATOM 0 HD21 ASN A 47 19.365 1.718 -7.849 1.00 22.42 H new ATOM 0 HD22 ASN A 47 18.618 0.305 -7.097 1.00 22.42 H new ATOM 765 N PRO A 48 21.733 -1.280 -3.674 1.00 14.25 N ATOM 766 CA PRO A 48 21.498 -1.721 -2.296 1.00 11.23 C ATOM 767 C PRO A 48 20.056 -2.157 -2.066 1.00 62.34 C ATOM 768 O PRO A 48 19.722 -2.702 -1.014 1.00 25.23 O ATOM 769 CB PRO A 48 21.821 -0.476 -1.467 1.00 63.34 C ATOM 770 CG PRO A 48 21.590 0.668 -2.393 1.00 1.13 C ATOM 771 CD PRO A 48 21.964 0.171 -3.763 1.00 31.03 C ATOM 0 HA PRO A 48 22.102 -2.591 -2.036 1.00 11.23 H new ATOM 0 HB2 PRO A 48 21.180 -0.409 -0.588 1.00 63.34 H new ATOM 0 HB3 PRO A 48 22.851 -0.494 -1.110 1.00 63.34 H new ATOM 0 HG2 PRO A 48 20.549 0.989 -2.365 1.00 1.13 H new ATOM 0 HG3 PRO A 48 22.197 1.528 -2.110 1.00 1.13 H new ATOM 0 HD2 PRO A 48 21.350 0.629 -4.538 1.00 31.03 H new ATOM 0 HD3 PRO A 48 23.003 0.399 -4.003 1.00 31.03 H new ATOM 779 N GLY A 49 19.203 -1.915 -3.056 1.00 75.32 N ATOM 780 CA GLY A 49 17.805 -2.290 -2.940 1.00 31.31 C ATOM 781 C GLY A 49 17.564 -3.742 -3.296 1.00 51.41 C ATOM 782 O GLY A 49 16.419 -4.167 -3.463 1.00 50.32 O ATOM 0 H GLY A 49 19.454 -1.466 -3.937 1.00 75.32 H new ATOM 0 HA2 GLY A 49 17.467 -2.108 -1.920 1.00 31.31 H new ATOM 0 HA3 GLY A 49 17.206 -1.655 -3.593 1.00 31.31 H new ATOM 786 N LEU A 50 18.642 -4.509 -3.416 1.00 75.52 N ATOM 787 CA LEU A 50 18.543 -5.923 -3.757 1.00 41.24 C ATOM 788 C LEU A 50 18.571 -6.789 -2.502 1.00 51.12 C ATOM 789 O LEU A 50 18.043 -7.903 -2.490 1.00 33.24 O ATOM 790 CB LEU A 50 19.684 -6.324 -4.694 1.00 64.43 C ATOM 791 CG LEU A 50 19.715 -5.623 -6.052 1.00 45.41 C ATOM 792 CD1 LEU A 50 20.818 -6.202 -6.926 1.00 62.12 C ATOM 793 CD2 LEU A 50 18.365 -5.743 -6.744 1.00 30.11 C ATOM 0 H LEU A 50 19.596 -4.174 -3.282 1.00 75.52 H new ATOM 0 HA LEU A 50 17.592 -6.083 -4.265 1.00 41.24 H new ATOM 0 HB2 LEU A 50 20.629 -6.131 -4.186 1.00 64.43 H new ATOM 0 HB3 LEU A 50 19.627 -7.399 -4.864 1.00 64.43 H new ATOM 0 HG LEU A 50 19.925 -4.566 -5.890 1.00 45.41 H new ATOM 0 HD11 LEU A 50 20.825 -5.691 -7.889 1.00 62.12 H new ATOM 0 HD12 LEU A 50 21.781 -6.064 -6.435 1.00 62.12 H new ATOM 0 HD13 LEU A 50 20.639 -7.266 -7.081 1.00 62.12 H new ATOM 0 HD21 LEU A 50 18.405 -5.238 -7.709 1.00 30.11 H new ATOM 0 HD22 LEU A 50 18.126 -6.796 -6.894 1.00 30.11 H new ATOM 0 HD23 LEU A 50 17.596 -5.281 -6.125 1.00 30.11 H new ATOM 805 N LEU A 51 19.188 -6.270 -1.446 1.00 45.34 N ATOM 806 CA LEU A 51 19.284 -6.996 -0.183 1.00 51.23 C ATOM 807 C LEU A 51 17.930 -7.050 0.517 1.00 55.04 C ATOM 808 O LEU A 51 17.664 -7.957 1.306 1.00 33.42 O ATOM 809 CB LEU A 51 20.316 -6.334 0.731 1.00 13.35 C ATOM 810 CG LEU A 51 21.732 -6.210 0.165 1.00 42.31 C ATOM 811 CD1 LEU A 51 22.561 -5.254 1.007 1.00 1.22 C ATOM 812 CD2 LEU A 51 22.398 -7.577 0.092 1.00 64.44 C ATOM 0 H LEU A 51 19.629 -5.350 -1.439 1.00 45.34 H new ATOM 0 HA LEU A 51 19.602 -8.016 -0.401 1.00 51.23 H new ATOM 0 HB2 LEU A 51 19.959 -5.336 0.986 1.00 13.35 H new ATOM 0 HB3 LEU A 51 20.366 -6.901 1.660 1.00 13.35 H new ATOM 0 HG LEU A 51 21.666 -5.806 -0.845 1.00 42.31 H new ATOM 0 HD11 LEU A 51 23.565 -5.178 0.589 1.00 1.22 H new ATOM 0 HD12 LEU A 51 22.093 -4.270 1.007 1.00 1.22 H new ATOM 0 HD13 LEU A 51 22.620 -5.627 2.029 1.00 1.22 H new ATOM 0 HD21 LEU A 51 23.404 -7.470 -0.313 1.00 64.44 H new ATOM 0 HD22 LEU A 51 22.453 -8.009 1.091 1.00 64.44 H new ATOM 0 HD23 LEU A 51 21.814 -8.232 -0.555 1.00 64.44 H new ATOM 824 N GLU A 52 17.076 -6.074 0.221 1.00 2.21 N ATOM 825 CA GLU A 52 15.749 -6.014 0.822 1.00 74.30 C ATOM 826 C GLU A 52 14.819 -7.048 0.195 1.00 40.20 C ATOM 827 O GLU A 52 13.690 -7.241 0.647 1.00 12.11 O ATOM 828 CB GLU A 52 15.155 -4.613 0.658 1.00 65.45 C ATOM 829 CG GLU A 52 14.697 -4.307 -0.758 1.00 60.33 C ATOM 830 CD GLU A 52 14.780 -2.830 -1.092 1.00 43.50 C ATOM 831 OE1 GLU A 52 15.042 -2.027 -0.172 1.00 53.45 O ATOM 832 OE2 GLU A 52 14.583 -2.478 -2.274 1.00 32.10 O ATOM 0 H GLU A 52 17.280 -5.316 -0.430 1.00 2.21 H new ATOM 0 HA GLU A 52 15.849 -6.238 1.884 1.00 74.30 H new ATOM 0 HB2 GLU A 52 14.308 -4.505 1.336 1.00 65.45 H new ATOM 0 HB3 GLU A 52 15.899 -3.875 0.957 1.00 65.45 H new ATOM 0 HG2 GLU A 52 15.308 -4.870 -1.463 1.00 60.33 H new ATOM 0 HG3 GLU A 52 13.669 -4.647 -0.885 1.00 60.33 H new ATOM 839 N THR A 53 15.302 -7.712 -0.851 1.00 70.20 N ATOM 840 CA THR A 53 14.516 -8.726 -1.543 1.00 65.52 C ATOM 841 C THR A 53 15.206 -10.084 -1.494 1.00 12.51 C ATOM 842 O THR A 53 16.393 -10.199 -1.801 1.00 61.10 O ATOM 843 CB THR A 53 14.268 -8.339 -3.013 1.00 21.31 C ATOM 844 OG1 THR A 53 15.475 -8.494 -3.769 1.00 61.15 O ATOM 845 CG2 THR A 53 13.778 -6.904 -3.120 1.00 61.42 C ATOM 0 H THR A 53 16.234 -7.565 -1.237 1.00 70.20 H new ATOM 0 HA THR A 53 13.558 -8.790 -1.027 1.00 65.52 H new ATOM 0 HB THR A 53 13.499 -8.999 -3.415 1.00 21.31 H new ATOM 0 HG1 THR A 53 16.248 -8.416 -3.171 1.00 61.15 H new ATOM 0 HG21 THR A 53 13.610 -6.654 -4.168 1.00 61.42 H new ATOM 0 HG22 THR A 53 12.845 -6.796 -2.567 1.00 61.42 H new ATOM 0 HG23 THR A 53 14.527 -6.232 -2.702 1.00 61.42 H new ATOM 853 N SER A 54 14.455 -11.111 -1.110 1.00 1.32 N ATOM 854 CA SER A 54 14.996 -12.462 -1.021 1.00 43.10 C ATOM 855 C SER A 54 15.615 -12.890 -2.348 1.00 33.34 C ATOM 856 O SER A 54 16.513 -13.730 -2.384 1.00 31.20 O ATOM 857 CB SER A 54 13.899 -13.448 -0.616 1.00 52.42 C ATOM 858 OG SER A 54 12.716 -12.767 -0.234 1.00 33.21 O ATOM 0 H SER A 54 13.470 -11.033 -0.856 1.00 1.32 H new ATOM 0 HA SER A 54 15.776 -12.464 -0.260 1.00 43.10 H new ATOM 0 HB2 SER A 54 13.684 -14.119 -1.448 1.00 52.42 H new ATOM 0 HB3 SER A 54 14.249 -14.067 0.210 1.00 52.42 H new ATOM 0 HG SER A 54 12.030 -13.420 0.019 1.00 33.21 H new ATOM 864 N GLU A 55 15.128 -12.303 -3.437 1.00 43.12 N ATOM 865 CA GLU A 55 15.633 -12.623 -4.767 1.00 51.03 C ATOM 866 C GLU A 55 16.996 -11.977 -5.002 1.00 44.21 C ATOM 867 O GLU A 55 17.939 -12.636 -5.437 1.00 14.43 O ATOM 868 CB GLU A 55 14.644 -12.156 -5.837 1.00 11.31 C ATOM 869 CG GLU A 55 13.409 -13.034 -5.950 1.00 11.53 C ATOM 870 CD GLU A 55 12.261 -12.338 -6.654 1.00 11.44 C ATOM 871 OE1 GLU A 55 12.507 -11.308 -7.316 1.00 10.23 O ATOM 872 OE2 GLU A 55 11.116 -12.826 -6.545 1.00 71.24 O ATOM 0 H GLU A 55 14.385 -11.604 -3.424 1.00 43.12 H new ATOM 0 HA GLU A 55 15.747 -13.705 -4.834 1.00 51.03 H new ATOM 0 HB2 GLU A 55 14.334 -11.135 -5.613 1.00 11.31 H new ATOM 0 HB3 GLU A 55 15.151 -12.131 -6.802 1.00 11.31 H new ATOM 0 HG2 GLU A 55 13.664 -13.945 -6.492 1.00 11.53 H new ATOM 0 HG3 GLU A 55 13.089 -13.335 -4.952 1.00 11.53 H new ATOM 879 N GLY A 56 17.089 -10.684 -4.708 1.00 32.25 N ATOM 880 CA GLY A 56 18.340 -9.970 -4.894 1.00 1.22 C ATOM 881 C GLY A 56 19.494 -10.623 -4.160 1.00 64.43 C ATOM 882 O GLY A 56 20.570 -10.817 -4.727 1.00 54.22 O ATOM 0 H GLY A 56 16.322 -10.118 -4.345 1.00 32.25 H new ATOM 0 HA2 GLY A 56 18.572 -9.920 -5.958 1.00 1.22 H new ATOM 0 HA3 GLY A 56 18.225 -8.944 -4.544 1.00 1.22 H new ATOM 886 N CYS A 57 19.273 -10.960 -2.893 1.00 55.21 N ATOM 887 CA CYS A 57 20.305 -11.592 -2.079 1.00 74.13 C ATOM 888 C CYS A 57 20.861 -12.832 -2.771 1.00 52.00 C ATOM 889 O CYS A 57 22.075 -12.994 -2.895 1.00 43.41 O ATOM 890 CB CYS A 57 19.742 -11.967 -0.707 1.00 10.34 C ATOM 891 SG CYS A 57 19.836 -10.641 0.518 1.00 31.33 S ATOM 0 H CYS A 57 18.389 -10.806 -2.408 1.00 55.21 H new ATOM 0 HA CYS A 57 21.118 -10.878 -1.948 1.00 74.13 H new ATOM 0 HB2 CYS A 57 18.700 -12.266 -0.823 1.00 10.34 H new ATOM 0 HB3 CYS A 57 20.283 -12.835 -0.329 1.00 10.34 H new ATOM 0 HG CYS A 57 19.334 -11.054 1.644 1.00 31.33 H new ATOM 897 N ARG A 58 19.964 -13.704 -3.221 1.00 4.04 N ATOM 898 CA ARG A 58 20.366 -14.931 -3.897 1.00 13.01 C ATOM 899 C ARG A 58 21.253 -14.623 -5.100 1.00 40.11 C ATOM 900 O ARG A 58 22.263 -15.290 -5.323 1.00 34.45 O ATOM 901 CB ARG A 58 19.133 -15.717 -4.348 1.00 71.14 C ATOM 902 CG ARG A 58 19.456 -17.096 -4.897 1.00 1.11 C ATOM 903 CD ARG A 58 18.358 -17.601 -5.819 1.00 1.41 C ATOM 904 NE ARG A 58 17.483 -18.563 -5.154 1.00 1.11 N ATOM 905 CZ ARG A 58 17.847 -19.807 -4.861 1.00 21.31 C ATOM 906 NH1 ARG A 58 19.063 -20.235 -5.170 1.00 10.34 N ATOM 907 NH2 ARG A 58 16.996 -20.623 -4.254 1.00 50.13 N ATOM 0 H ARG A 58 18.955 -13.583 -3.130 1.00 4.04 H new ATOM 0 HA ARG A 58 20.936 -15.535 -3.191 1.00 13.01 H new ATOM 0 HB2 ARG A 58 18.451 -15.822 -3.504 1.00 71.14 H new ATOM 0 HB3 ARG A 58 18.608 -15.145 -5.113 1.00 71.14 H new ATOM 0 HG2 ARG A 58 20.400 -17.060 -5.440 1.00 1.11 H new ATOM 0 HG3 ARG A 58 19.589 -17.795 -4.071 1.00 1.11 H new ATOM 0 HD2 ARG A 58 17.766 -16.757 -6.173 1.00 1.41 H new ATOM 0 HD3 ARG A 58 18.807 -18.066 -6.697 1.00 1.41 H new ATOM 0 HE ARG A 58 16.541 -18.264 -4.901 1.00 1.11 H new ATOM 0 HH11 ARG A 58 19.721 -19.609 -5.634 1.00 10.34 H new ATOM 0 HH12 ARG A 58 19.340 -21.190 -4.944 1.00 10.34 H new ATOM 0 HH21 ARG A 58 16.061 -20.296 -4.011 1.00 50.13 H new ATOM 0 HH22 ARG A 58 17.277 -21.578 -4.030 1.00 50.13 H new ATOM 921 N GLN A 59 20.868 -13.611 -5.871 1.00 62.54 N ATOM 922 CA GLN A 59 21.628 -13.217 -7.050 1.00 33.03 C ATOM 923 C GLN A 59 23.021 -12.733 -6.663 1.00 25.14 C ATOM 924 O GLN A 59 24.014 -13.104 -7.290 1.00 34.01 O ATOM 925 CB GLN A 59 20.888 -12.118 -7.815 1.00 12.42 C ATOM 926 CG GLN A 59 20.492 -12.522 -9.226 1.00 72.00 C ATOM 927 CD GLN A 59 19.177 -13.276 -9.270 1.00 31.12 C ATOM 928 OE1 GLN A 59 18.410 -13.265 -8.307 1.00 41.13 O ATOM 929 NE2 GLN A 59 18.910 -13.936 -10.391 1.00 71.40 N ATOM 0 H GLN A 59 20.034 -13.049 -5.700 1.00 62.54 H new ATOM 0 HA GLN A 59 21.733 -14.091 -7.693 1.00 33.03 H new ATOM 0 HB2 GLN A 59 19.992 -11.841 -7.260 1.00 12.42 H new ATOM 0 HB3 GLN A 59 21.520 -11.231 -7.863 1.00 12.42 H new ATOM 0 HG2 GLN A 59 20.416 -11.630 -9.847 1.00 72.00 H new ATOM 0 HG3 GLN A 59 21.277 -13.144 -9.656 1.00 72.00 H new ATOM 0 HE21 GLN A 59 19.575 -13.918 -11.164 1.00 71.40 H new ATOM 0 HE22 GLN A 59 18.040 -14.461 -10.479 1.00 71.40 H new ATOM 938 N ILE A 60 23.088 -11.904 -5.627 1.00 42.23 N ATOM 939 CA ILE A 60 24.360 -11.371 -5.155 1.00 14.12 C ATOM 940 C ILE A 60 25.264 -12.484 -4.636 1.00 30.54 C ATOM 941 O ILE A 60 26.438 -12.566 -4.999 1.00 24.32 O ATOM 942 CB ILE A 60 24.156 -10.328 -4.041 1.00 51.23 C ATOM 943 CG1 ILE A 60 23.278 -9.180 -4.542 1.00 35.21 C ATOM 944 CG2 ILE A 60 25.498 -9.802 -3.555 1.00 22.10 C ATOM 945 CD1 ILE A 60 22.673 -8.352 -3.431 1.00 72.21 C ATOM 0 H ILE A 60 22.276 -11.587 -5.098 1.00 42.23 H new ATOM 0 HA ILE A 60 24.836 -10.889 -6.009 1.00 14.12 H new ATOM 0 HB ILE A 60 23.651 -10.808 -3.203 1.00 51.23 H new ATOM 0 HG12 ILE A 60 23.874 -8.531 -5.184 1.00 35.21 H new ATOM 0 HG13 ILE A 60 22.476 -9.588 -5.157 1.00 35.21 H new ATOM 0 HG21 ILE A 60 25.337 -9.066 -2.768 1.00 22.10 H new ATOM 0 HG22 ILE A 60 26.092 -10.628 -3.163 1.00 22.10 H new ATOM 0 HG23 ILE A 60 26.028 -9.335 -4.385 1.00 22.10 H new ATOM 0 HD11 ILE A 60 22.063 -7.557 -3.860 1.00 72.21 H new ATOM 0 HD12 ILE A 60 22.050 -8.987 -2.802 1.00 72.21 H new ATOM 0 HD13 ILE A 60 23.469 -7.914 -2.829 1.00 72.21 H new ATOM 957 N LEU A 61 24.709 -13.340 -3.785 1.00 60.33 N ATOM 958 CA LEU A 61 25.464 -14.450 -3.215 1.00 32.21 C ATOM 959 C LEU A 61 25.925 -15.412 -4.306 1.00 63.12 C ATOM 960 O LEU A 61 26.925 -16.112 -4.150 1.00 65.13 O ATOM 961 CB LEU A 61 24.613 -15.197 -2.186 1.00 12.55 C ATOM 962 CG LEU A 61 24.097 -14.366 -1.012 1.00 55.44 C ATOM 963 CD1 LEU A 61 22.810 -14.963 -0.461 1.00 1.04 C ATOM 964 CD2 LEU A 61 25.152 -14.270 0.078 1.00 61.51 C ATOM 0 H LEU A 61 23.739 -13.287 -3.475 1.00 60.33 H new ATOM 0 HA LEU A 61 26.345 -14.042 -2.720 1.00 32.21 H new ATOM 0 HB2 LEU A 61 23.757 -15.633 -2.700 1.00 12.55 H new ATOM 0 HB3 LEU A 61 25.202 -16.024 -1.789 1.00 12.55 H new ATOM 0 HG LEU A 61 23.882 -13.359 -1.371 1.00 55.44 H new ATOM 0 HD11 LEU A 61 22.457 -14.358 0.374 1.00 1.04 H new ATOM 0 HD12 LEU A 61 22.052 -14.978 -1.244 1.00 1.04 H new ATOM 0 HD13 LEU A 61 22.998 -15.980 -0.118 1.00 1.04 H new ATOM 0 HD21 LEU A 61 24.767 -13.675 0.906 1.00 61.51 H new ATOM 0 HD22 LEU A 61 25.399 -15.270 0.434 1.00 61.51 H new ATOM 0 HD23 LEU A 61 26.048 -13.796 -0.323 1.00 61.51 H new ATOM 976 N GLY A 62 25.190 -15.439 -5.414 1.00 61.14 N ATOM 977 CA GLY A 62 25.539 -16.316 -6.515 1.00 21.10 C ATOM 978 C GLY A 62 26.843 -15.920 -7.180 1.00 71.14 C ATOM 979 O GLY A 62 27.473 -16.733 -7.856 1.00 32.41 O ATOM 0 H GLY A 62 24.359 -14.868 -5.568 1.00 61.14 H new ATOM 0 HA2 GLY A 62 25.617 -17.340 -6.149 1.00 21.10 H new ATOM 0 HA3 GLY A 62 24.738 -16.302 -7.255 1.00 21.10 H new ATOM 983 N GLN A 63 27.245 -14.668 -6.990 1.00 30.45 N ATOM 984 CA GLN A 63 28.481 -14.165 -7.579 1.00 2.11 C ATOM 985 C GLN A 63 29.623 -14.210 -6.569 1.00 73.43 C ATOM 986 O GLN A 63 30.791 -14.324 -6.941 1.00 32.23 O ATOM 987 CB GLN A 63 28.285 -12.735 -8.084 1.00 21.45 C ATOM 988 CG GLN A 63 27.960 -12.653 -9.566 1.00 34.22 C ATOM 989 CD GLN A 63 29.054 -11.973 -10.367 1.00 13.53 C ATOM 990 OE1 GLN A 63 30.239 -12.116 -10.067 1.00 44.32 O ATOM 991 NE2 GLN A 63 28.661 -11.228 -11.393 1.00 74.24 N ATOM 0 H GLN A 63 26.734 -13.983 -6.433 1.00 30.45 H new ATOM 0 HA GLN A 63 28.741 -14.807 -8.421 1.00 2.11 H new ATOM 0 HB2 GLN A 63 27.481 -12.265 -7.518 1.00 21.45 H new ATOM 0 HB3 GLN A 63 29.191 -12.161 -7.887 1.00 21.45 H new ATOM 0 HG2 GLN A 63 27.801 -13.659 -9.955 1.00 34.22 H new ATOM 0 HG3 GLN A 63 27.025 -12.108 -9.699 1.00 34.22 H new ATOM 0 HE21 GLN A 63 27.668 -11.137 -11.606 1.00 74.24 H new ATOM 0 HE22 GLN A 63 29.352 -10.747 -11.968 1.00 74.24 H new ATOM 1000 N LEU A 64 29.278 -14.116 -5.289 1.00 3.23 N ATOM 1001 CA LEU A 64 30.275 -14.145 -4.224 1.00 71.03 C ATOM 1002 C LEU A 64 30.601 -15.579 -3.821 1.00 51.44 C ATOM 1003 O LEU A 64 31.691 -15.863 -3.327 1.00 35.24 O ATOM 1004 CB LEU A 64 29.774 -13.364 -3.009 1.00 71.44 C ATOM 1005 CG LEU A 64 29.238 -11.959 -3.289 1.00 62.55 C ATOM 1006 CD1 LEU A 64 28.651 -11.350 -2.024 1.00 41.24 C ATOM 1007 CD2 LEU A 64 30.340 -11.070 -3.848 1.00 42.33 C ATOM 0 H LEU A 64 28.316 -14.019 -4.964 1.00 3.23 H new ATOM 0 HA LEU A 64 31.185 -13.677 -4.600 1.00 71.03 H new ATOM 0 HB2 LEU A 64 28.985 -13.943 -2.530 1.00 71.44 H new ATOM 0 HB3 LEU A 64 30.591 -13.283 -2.292 1.00 71.44 H new ATOM 0 HG LEU A 64 28.446 -12.035 -4.034 1.00 62.55 H new ATOM 0 HD11 LEU A 64 28.275 -10.351 -2.242 1.00 41.24 H new ATOM 0 HD12 LEU A 64 27.834 -11.975 -1.665 1.00 41.24 H new ATOM 0 HD13 LEU A 64 29.424 -11.287 -1.258 1.00 41.24 H new ATOM 0 HD21 LEU A 64 29.941 -10.074 -4.041 1.00 42.33 H new ATOM 0 HD22 LEU A 64 31.153 -11.001 -3.126 1.00 42.33 H new ATOM 0 HD23 LEU A 64 30.716 -11.497 -4.778 1.00 42.33 H new ATOM 1019 N GLN A 65 29.648 -16.481 -4.039 1.00 73.33 N ATOM 1020 CA GLN A 65 29.835 -17.887 -3.700 1.00 32.42 C ATOM 1021 C GLN A 65 31.127 -18.425 -4.304 1.00 12.22 C ATOM 1022 O GLN A 65 32.040 -18.853 -3.598 1.00 12.25 O ATOM 1023 CB GLN A 65 28.645 -18.714 -4.189 1.00 11.13 C ATOM 1024 CG GLN A 65 27.739 -19.200 -3.069 1.00 33.54 C ATOM 1025 CD GLN A 65 28.368 -20.313 -2.253 1.00 73.03 C ATOM 1026 OE1 GLN A 65 29.537 -20.237 -1.875 1.00 62.02 O ATOM 1027 NE2 GLN A 65 27.591 -21.355 -1.977 1.00 33.43 N ATOM 0 H GLN A 65 28.740 -16.263 -4.448 1.00 73.33 H new ATOM 0 HA GLN A 65 29.902 -17.968 -2.615 1.00 32.42 H new ATOM 0 HB2 GLN A 65 28.058 -18.114 -4.885 1.00 11.13 H new ATOM 0 HB3 GLN A 65 29.016 -19.575 -4.744 1.00 11.13 H new ATOM 0 HG2 GLN A 65 27.499 -18.364 -2.412 1.00 33.54 H new ATOM 0 HG3 GLN A 65 26.799 -19.552 -3.494 1.00 33.54 H new ATOM 0 HE21 GLN A 65 26.627 -21.375 -2.311 1.00 33.43 H new ATOM 0 HE22 GLN A 65 27.958 -22.134 -1.431 1.00 33.43 H new ATOM 1036 N PRO A 66 31.208 -18.404 -5.643 1.00 0.20 N ATOM 1037 CA PRO A 66 32.384 -18.887 -6.373 1.00 0.22 C ATOM 1038 C PRO A 66 33.595 -17.978 -6.188 1.00 51.31 C ATOM 1039 O PRO A 66 34.727 -18.373 -6.463 1.00 23.32 O ATOM 1040 CB PRO A 66 31.925 -18.876 -7.832 1.00 14.34 C ATOM 1041 CG PRO A 66 30.847 -17.850 -7.884 1.00 43.24 C ATOM 1042 CD PRO A 66 30.158 -17.908 -6.548 1.00 75.12 C ATOM 0 HA PRO A 66 32.708 -19.867 -6.021 1.00 0.22 H new ATOM 0 HB2 PRO A 66 32.746 -18.622 -8.503 1.00 14.34 H new ATOM 0 HB3 PRO A 66 31.555 -19.855 -8.138 1.00 14.34 H new ATOM 0 HG2 PRO A 66 31.260 -16.858 -8.068 1.00 43.24 H new ATOM 0 HG3 PRO A 66 30.148 -18.059 -8.694 1.00 43.24 H new ATOM 0 HD2 PRO A 66 29.793 -16.928 -6.241 1.00 75.12 H new ATOM 0 HD3 PRO A 66 29.297 -18.576 -6.569 1.00 75.12 H new ATOM 1050 N SER A 67 33.347 -16.759 -5.721 1.00 32.21 N ATOM 1051 CA SER A 67 34.417 -15.792 -5.503 1.00 63.05 C ATOM 1052 C SER A 67 34.761 -15.688 -4.020 1.00 42.30 C ATOM 1053 O SER A 67 35.243 -14.656 -3.553 1.00 75.13 O ATOM 1054 CB SER A 67 34.009 -14.418 -6.040 1.00 44.33 C ATOM 1055 OG SER A 67 33.570 -14.507 -7.385 1.00 70.54 O ATOM 0 H SER A 67 32.415 -16.417 -5.486 1.00 32.21 H new ATOM 0 HA SER A 67 35.300 -16.137 -6.041 1.00 63.05 H new ATOM 0 HB2 SER A 67 33.213 -14.003 -5.421 1.00 44.33 H new ATOM 0 HB3 SER A 67 34.854 -13.733 -5.974 1.00 44.33 H new ATOM 0 HG SER A 67 32.593 -14.444 -7.415 1.00 70.54 H new ATOM 1061 N LEU A 68 34.510 -16.765 -3.285 1.00 24.12 N ATOM 1062 CA LEU A 68 34.793 -16.798 -1.853 1.00 53.23 C ATOM 1063 C LEU A 68 36.272 -17.068 -1.598 1.00 64.34 C ATOM 1064 O LEU A 68 36.842 -16.577 -0.623 1.00 62.52 O ATOM 1065 CB LEU A 68 33.941 -17.869 -1.169 1.00 53.20 C ATOM 1066 CG LEU A 68 32.634 -17.386 -0.541 1.00 43.24 C ATOM 1067 CD1 LEU A 68 31.813 -18.566 -0.043 1.00 53.01 C ATOM 1068 CD2 LEU A 68 32.915 -16.414 0.595 1.00 31.21 C ATOM 0 H LEU A 68 34.111 -17.627 -3.656 1.00 24.12 H new ATOM 0 HA LEU A 68 34.543 -15.823 -1.435 1.00 53.23 H new ATOM 0 HB2 LEU A 68 33.705 -18.640 -1.902 1.00 53.20 H new ATOM 0 HB3 LEU A 68 34.542 -18.341 -0.392 1.00 53.20 H new ATOM 0 HG LEU A 68 32.058 -16.864 -1.305 1.00 43.24 H new ATOM 0 HD11 LEU A 68 30.886 -18.203 0.401 1.00 53.01 H new ATOM 0 HD12 LEU A 68 31.581 -19.226 -0.879 1.00 53.01 H new ATOM 0 HD13 LEU A 68 32.383 -19.116 0.706 1.00 53.01 H new ATOM 0 HD21 LEU A 68 31.973 -16.081 1.030 1.00 31.21 H new ATOM 0 HD22 LEU A 68 33.512 -16.911 1.360 1.00 31.21 H new ATOM 0 HD23 LEU A 68 33.462 -15.553 0.210 1.00 31.21 H new ATOM 1080 N GLN A 69 36.887 -17.849 -2.479 1.00 21.21 N ATOM 1081 CA GLN A 69 38.301 -18.183 -2.348 1.00 31.51 C ATOM 1082 C GLN A 69 39.176 -17.079 -2.932 1.00 11.05 C ATOM 1083 O GLN A 69 40.208 -16.722 -2.362 1.00 61.43 O ATOM 1084 CB GLN A 69 38.600 -19.510 -3.045 1.00 42.41 C ATOM 1085 CG GLN A 69 39.950 -20.103 -2.671 1.00 40.32 C ATOM 1086 CD GLN A 69 40.533 -20.965 -3.773 1.00 44.00 C ATOM 1087 OE1 GLN A 69 39.958 -21.987 -4.149 1.00 70.45 O ATOM 1088 NE2 GLN A 69 41.683 -20.557 -4.298 1.00 2.11 N ATOM 0 H GLN A 69 36.429 -18.263 -3.291 1.00 21.21 H new ATOM 0 HA GLN A 69 38.529 -18.280 -1.287 1.00 31.51 H new ATOM 0 HB2 GLN A 69 37.817 -20.226 -2.797 1.00 42.41 H new ATOM 0 HB3 GLN A 69 38.565 -19.360 -4.124 1.00 42.41 H new ATOM 0 HG2 GLN A 69 40.645 -19.296 -2.439 1.00 40.32 H new ATOM 0 HG3 GLN A 69 39.842 -20.701 -1.766 1.00 40.32 H new ATOM 0 HE21 GLN A 69 42.125 -19.704 -3.956 1.00 2.11 H new ATOM 0 HE22 GLN A 69 42.124 -21.097 -5.043 1.00 2.11 H new ATOM 1097 N THR A 70 38.759 -16.541 -4.075 1.00 65.11 N ATOM 1098 CA THR A 70 39.506 -15.480 -4.737 1.00 71.35 C ATOM 1099 C THR A 70 39.144 -14.114 -4.167 1.00 63.34 C ATOM 1100 O THR A 70 39.946 -13.182 -4.205 1.00 22.21 O ATOM 1101 CB THR A 70 39.246 -15.475 -6.256 1.00 32.21 C ATOM 1102 OG1 THR A 70 39.062 -16.814 -6.726 1.00 2.24 O ATOM 1103 CG2 THR A 70 40.404 -14.824 -7.000 1.00 43.43 C ATOM 0 H THR A 70 37.908 -16.824 -4.561 1.00 65.11 H new ATOM 0 HA THR A 70 40.563 -15.677 -4.556 1.00 71.35 H new ATOM 0 HB THR A 70 38.342 -14.897 -6.446 1.00 32.21 H new ATOM 0 HG1 THR A 70 38.896 -16.802 -7.692 1.00 2.24 H new ATOM 0 HG21 THR A 70 40.199 -14.832 -8.070 1.00 43.43 H new ATOM 0 HG22 THR A 70 40.522 -13.795 -6.660 1.00 43.43 H new ATOM 0 HG23 THR A 70 41.321 -15.379 -6.802 1.00 43.43 H new ATOM 1111 N GLY A 71 37.929 -14.002 -3.636 1.00 71.20 N ATOM 1112 CA GLY A 71 37.482 -12.745 -3.064 1.00 14.35 C ATOM 1113 C GLY A 71 38.403 -12.247 -1.968 1.00 40.31 C ATOM 1114 O GLY A 71 39.369 -12.920 -1.605 1.00 11.32 O ATOM 0 H GLY A 71 37.247 -14.759 -3.592 1.00 71.20 H new ATOM 0 HA2 GLY A 71 37.419 -11.993 -3.851 1.00 14.35 H new ATOM 0 HA3 GLY A 71 36.477 -12.870 -2.661 1.00 14.35 H new ATOM 1118 N SER A 72 38.106 -11.065 -1.439 1.00 72.21 N ATOM 1119 CA SER A 72 38.917 -10.475 -0.380 1.00 33.35 C ATOM 1120 C SER A 72 38.082 -10.228 0.872 1.00 41.44 C ATOM 1121 O SER A 72 36.934 -10.662 0.959 1.00 72.12 O ATOM 1122 CB SER A 72 39.541 -9.162 -0.858 1.00 54.44 C ATOM 1123 OG SER A 72 38.636 -8.082 -0.702 1.00 30.52 O ATOM 0 H SER A 72 37.309 -10.496 -1.726 1.00 72.21 H new ATOM 0 HA SER A 72 39.712 -11.178 -0.132 1.00 33.35 H new ATOM 0 HB2 SER A 72 40.452 -8.962 -0.294 1.00 54.44 H new ATOM 0 HB3 SER A 72 39.828 -9.252 -1.906 1.00 54.44 H new ATOM 0 HG SER A 72 39.058 -7.254 -1.013 1.00 30.52 H new ATOM 1129 N GLU A 73 38.667 -9.528 1.838 1.00 64.10 N ATOM 1130 CA GLU A 73 37.978 -9.224 3.086 1.00 44.34 C ATOM 1131 C GLU A 73 36.672 -8.481 2.819 1.00 51.55 C ATOM 1132 O GLU A 73 35.694 -8.644 3.548 1.00 74.21 O ATOM 1133 CB GLU A 73 38.875 -8.389 4.001 1.00 74.14 C ATOM 1134 CG GLU A 73 39.335 -7.084 3.374 1.00 74.31 C ATOM 1135 CD GLU A 73 40.594 -6.537 4.020 1.00 42.24 C ATOM 1136 OE1 GLU A 73 41.386 -7.346 4.549 1.00 73.13 O ATOM 1137 OE2 GLU A 73 40.787 -5.305 3.997 1.00 75.21 O ATOM 0 H GLU A 73 39.617 -9.161 1.780 1.00 64.10 H new ATOM 0 HA GLU A 73 37.745 -10.167 3.581 1.00 44.34 H new ATOM 0 HB2 GLU A 73 38.336 -8.170 4.923 1.00 74.14 H new ATOM 0 HB3 GLU A 73 39.750 -8.979 4.276 1.00 74.14 H new ATOM 0 HG2 GLU A 73 39.515 -7.240 2.310 1.00 74.31 H new ATOM 0 HG3 GLU A 73 38.538 -6.345 3.457 1.00 74.31 H new ATOM 1144 N GLU A 74 36.666 -7.666 1.769 1.00 71.35 N ATOM 1145 CA GLU A 74 35.481 -6.897 1.406 1.00 63.13 C ATOM 1146 C GLU A 74 34.374 -7.813 0.893 1.00 43.21 C ATOM 1147 O GLU A 74 33.204 -7.647 1.241 1.00 74.04 O ATOM 1148 CB GLU A 74 35.829 -5.853 0.343 1.00 54.31 C ATOM 1149 CG GLU A 74 36.095 -4.470 0.912 1.00 54.33 C ATOM 1150 CD GLU A 74 37.526 -4.017 0.702 1.00 4.32 C ATOM 1151 OE1 GLU A 74 38.375 -4.315 1.568 1.00 21.00 O ATOM 1152 OE2 GLU A 74 37.798 -3.365 -0.328 1.00 3.24 O ATOM 0 H GLU A 74 37.468 -7.521 1.155 1.00 71.35 H new ATOM 0 HA GLU A 74 35.122 -6.388 2.300 1.00 63.13 H new ATOM 0 HB2 GLU A 74 36.709 -6.186 -0.207 1.00 54.31 H new ATOM 0 HB3 GLU A 74 35.011 -5.790 -0.374 1.00 54.31 H new ATOM 0 HG2 GLU A 74 35.419 -3.753 0.445 1.00 54.33 H new ATOM 0 HG3 GLU A 74 35.871 -4.471 1.979 1.00 54.33 H new ATOM 1159 N LEU A 75 34.751 -8.779 0.063 1.00 23.42 N ATOM 1160 CA LEU A 75 33.791 -9.722 -0.499 1.00 54.33 C ATOM 1161 C LEU A 75 33.366 -10.753 0.541 1.00 70.54 C ATOM 1162 O LEU A 75 32.250 -11.274 0.494 1.00 31.34 O ATOM 1163 CB LEU A 75 34.392 -10.427 -1.716 1.00 10.42 C ATOM 1164 CG LEU A 75 33.469 -11.396 -2.455 1.00 41.14 C ATOM 1165 CD1 LEU A 75 33.769 -11.389 -3.946 1.00 24.44 C ATOM 1166 CD2 LEU A 75 33.607 -12.802 -1.889 1.00 63.12 C ATOM 0 H LEU A 75 35.715 -8.930 -0.236 1.00 23.42 H new ATOM 0 HA LEU A 75 32.909 -9.162 -0.809 1.00 54.33 H new ATOM 0 HB2 LEU A 75 34.728 -9.667 -2.422 1.00 10.42 H new ATOM 0 HB3 LEU A 75 35.277 -10.975 -1.393 1.00 10.42 H new ATOM 0 HG LEU A 75 32.440 -11.067 -2.311 1.00 41.14 H new ATOM 0 HD11 LEU A 75 33.102 -12.085 -4.455 1.00 24.44 H new ATOM 0 HD12 LEU A 75 33.617 -10.385 -4.343 1.00 24.44 H new ATOM 0 HD13 LEU A 75 34.803 -11.692 -4.110 1.00 24.44 H new ATOM 0 HD21 LEU A 75 32.943 -13.478 -2.427 1.00 63.12 H new ATOM 0 HD22 LEU A 75 34.637 -13.140 -2.001 1.00 63.12 H new ATOM 0 HD23 LEU A 75 33.340 -12.797 -0.832 1.00 63.12 H new ATOM 1178 N ARG A 76 34.260 -11.041 1.481 1.00 73.22 N ATOM 1179 CA ARG A 76 33.977 -12.009 2.535 1.00 55.21 C ATOM 1180 C ARG A 76 32.899 -11.484 3.479 1.00 15.23 C ATOM 1181 O ARG A 76 31.914 -12.169 3.754 1.00 31.51 O ATOM 1182 CB ARG A 76 35.250 -12.325 3.321 1.00 33.31 C ATOM 1183 CG ARG A 76 35.821 -13.703 3.028 1.00 65.35 C ATOM 1184 CD ARG A 76 37.288 -13.792 3.416 1.00 65.13 C ATOM 1185 NE ARG A 76 37.513 -13.395 4.803 1.00 43.23 N ATOM 1186 CZ ARG A 76 38.699 -13.040 5.283 1.00 33.43 C ATOM 1187 NH1 ARG A 76 39.762 -13.030 4.491 1.00 23.34 N ATOM 1188 NH2 ARG A 76 38.823 -12.691 6.557 1.00 31.32 N ATOM 0 H ARG A 76 35.187 -10.618 1.535 1.00 73.22 H new ATOM 0 HA ARG A 76 33.612 -12.923 2.067 1.00 55.21 H new ATOM 0 HB2 ARG A 76 36.004 -11.572 3.092 1.00 33.31 H new ATOM 0 HB3 ARG A 76 35.037 -12.249 4.387 1.00 33.31 H new ATOM 0 HG2 ARG A 76 35.253 -14.457 3.573 1.00 65.35 H new ATOM 0 HG3 ARG A 76 35.710 -13.926 1.967 1.00 65.35 H new ATOM 0 HD2 ARG A 76 37.640 -14.813 3.270 1.00 65.13 H new ATOM 0 HD3 ARG A 76 37.877 -13.154 2.757 1.00 65.13 H new ATOM 0 HE ARG A 76 36.715 -13.390 5.438 1.00 43.23 H new ATOM 0 HH11 ARG A 76 39.670 -13.295 3.510 1.00 23.34 H new ATOM 0 HH12 ARG A 76 40.672 -12.757 4.862 1.00 23.34 H new ATOM 0 HH21 ARG A 76 38.007 -12.695 7.169 1.00 31.32 H new ATOM 0 HH22 ARG A 76 39.735 -12.418 6.925 1.00 31.32 H new ATOM 1202 N SER A 77 33.094 -10.265 3.972 1.00 5.51 N ATOM 1203 CA SER A 77 32.141 -9.650 4.890 1.00 12.35 C ATOM 1204 C SER A 77 30.755 -9.567 4.257 1.00 42.01 C ATOM 1205 O SER A 77 29.740 -9.727 4.937 1.00 11.15 O ATOM 1206 CB SER A 77 32.616 -8.253 5.289 1.00 61.41 C ATOM 1207 OG SER A 77 33.410 -8.300 6.463 1.00 74.43 O ATOM 0 H SER A 77 33.903 -9.684 3.752 1.00 5.51 H new ATOM 0 HA SER A 77 32.078 -10.273 5.782 1.00 12.35 H new ATOM 0 HB2 SER A 77 33.192 -7.815 4.474 1.00 61.41 H new ATOM 0 HB3 SER A 77 31.755 -7.606 5.454 1.00 61.41 H new ATOM 0 HG SER A 77 33.703 -7.394 6.696 1.00 74.43 H new ATOM 1213 N LEU A 78 30.721 -9.316 2.953 1.00 45.11 N ATOM 1214 CA LEU A 78 29.459 -9.212 2.228 1.00 74.32 C ATOM 1215 C LEU A 78 28.679 -10.520 2.299 1.00 4.35 C ATOM 1216 O LEU A 78 27.536 -10.550 2.754 1.00 43.34 O ATOM 1217 CB LEU A 78 29.718 -8.838 0.767 1.00 2.42 C ATOM 1218 CG LEU A 78 29.442 -7.383 0.387 1.00 25.23 C ATOM 1219 CD1 LEU A 78 28.000 -7.015 0.695 1.00 44.45 C ATOM 1220 CD2 LEU A 78 30.399 -6.452 1.117 1.00 30.44 C ATOM 0 H LEU A 78 31.551 -9.181 2.376 1.00 45.11 H new ATOM 0 HA LEU A 78 28.862 -8.430 2.698 1.00 74.32 H new ATOM 0 HB2 LEU A 78 30.759 -9.062 0.535 1.00 2.42 H new ATOM 0 HB3 LEU A 78 29.105 -9.480 0.134 1.00 2.42 H new ATOM 0 HG LEU A 78 29.603 -7.270 -0.685 1.00 25.23 H new ATOM 0 HD11 LEU A 78 27.823 -5.976 0.418 1.00 44.45 H new ATOM 0 HD12 LEU A 78 27.330 -7.661 0.128 1.00 44.45 H new ATOM 0 HD13 LEU A 78 27.811 -7.143 1.761 1.00 44.45 H new ATOM 0 HD21 LEU A 78 30.189 -5.420 0.835 1.00 30.44 H new ATOM 0 HD22 LEU A 78 30.269 -6.568 2.193 1.00 30.44 H new ATOM 0 HD23 LEU A 78 31.425 -6.700 0.846 1.00 30.44 H new ATOM 1232 N TYR A 79 29.306 -11.602 1.850 1.00 12.13 N ATOM 1233 CA TYR A 79 28.672 -12.915 1.862 1.00 53.12 C ATOM 1234 C TYR A 79 28.126 -13.243 3.248 1.00 60.13 C ATOM 1235 O TYR A 79 27.136 -13.961 3.384 1.00 24.32 O ATOM 1236 CB TYR A 79 29.668 -13.990 1.426 1.00 44.14 C ATOM 1237 CG TYR A 79 29.014 -15.287 1.007 1.00 52.41 C ATOM 1238 CD1 TYR A 79 28.284 -15.370 -0.173 1.00 70.15 C ATOM 1239 CD2 TYR A 79 29.125 -16.430 1.790 1.00 12.23 C ATOM 1240 CE1 TYR A 79 27.683 -16.552 -0.560 1.00 71.30 C ATOM 1241 CE2 TYR A 79 28.529 -17.617 1.409 1.00 32.20 C ATOM 1242 CZ TYR A 79 27.810 -17.673 0.233 1.00 62.03 C ATOM 1243 OH TYR A 79 27.213 -18.853 -0.148 1.00 23.24 O ATOM 0 H TYR A 79 30.254 -11.595 1.473 1.00 12.13 H new ATOM 0 HA TYR A 79 27.839 -12.895 1.159 1.00 53.12 H new ATOM 0 HB2 TYR A 79 30.262 -13.608 0.596 1.00 44.14 H new ATOM 0 HB3 TYR A 79 30.357 -14.189 2.247 1.00 44.14 H new ATOM 0 HD1 TYR A 79 28.185 -14.495 -0.798 1.00 70.15 H new ATOM 0 HD2 TYR A 79 29.687 -16.390 2.712 1.00 12.23 H new ATOM 0 HE1 TYR A 79 27.117 -16.598 -1.479 1.00 71.30 H new ATOM 0 HE2 TYR A 79 28.626 -18.496 2.029 1.00 32.20 H new ATOM 0 HH TYR A 79 27.400 -19.545 0.520 1.00 23.24 H new ATOM 1253 N ASN A 80 28.780 -12.709 4.276 1.00 54.12 N ATOM 1254 CA ASN A 80 28.361 -12.944 5.653 1.00 70.24 C ATOM 1255 C ASN A 80 27.055 -12.217 5.956 1.00 54.32 C ATOM 1256 O ASN A 80 26.058 -12.836 6.332 1.00 21.04 O ATOM 1257 CB ASN A 80 29.450 -12.485 6.624 1.00 51.20 C ATOM 1258 CG ASN A 80 30.464 -13.575 6.914 1.00 40.45 C ATOM 1259 OD1 ASN A 80 30.111 -14.748 7.044 1.00 20.31 O ATOM 1260 ND2 ASN A 80 31.731 -13.192 7.015 1.00 43.31 N ATOM 0 H ASN A 80 29.601 -12.111 4.181 1.00 54.12 H new ATOM 0 HA ASN A 80 28.198 -14.014 5.779 1.00 70.24 H new ATOM 0 HB2 ASN A 80 29.962 -11.618 6.207 1.00 51.20 H new ATOM 0 HB3 ASN A 80 28.988 -12.164 7.558 1.00 51.20 H new ATOM 0 HD21 ASN A 80 32.458 -13.881 7.208 1.00 43.31 H new ATOM 0 HD22 ASN A 80 31.977 -12.209 6.900 1.00 43.31 H new ATOM 1267 N THR A 81 27.064 -10.898 5.788 1.00 22.02 N ATOM 1268 CA THR A 81 25.882 -10.086 6.044 1.00 14.10 C ATOM 1269 C THR A 81 24.723 -10.504 5.145 1.00 74.11 C ATOM 1270 O THR A 81 23.602 -10.702 5.613 1.00 24.32 O ATOM 1271 CB THR A 81 26.171 -8.589 5.827 1.00 41.24 C ATOM 1272 OG1 THR A 81 27.363 -8.215 6.525 1.00 34.51 O ATOM 1273 CG2 THR A 81 25.006 -7.738 6.310 1.00 32.24 C ATOM 0 H THR A 81 27.878 -10.369 5.475 1.00 22.02 H new ATOM 0 HA THR A 81 25.607 -10.248 7.086 1.00 14.10 H new ATOM 0 HB THR A 81 26.307 -8.418 4.759 1.00 41.24 H new ATOM 0 HG1 THR A 81 27.541 -7.262 6.381 1.00 34.51 H new ATOM 0 HG21 THR A 81 25.233 -6.684 6.147 1.00 32.24 H new ATOM 0 HG22 THR A 81 24.106 -8.006 5.756 1.00 32.24 H new ATOM 0 HG23 THR A 81 24.844 -7.914 7.373 1.00 32.24 H new ATOM 1281 N ILE A 82 25.002 -10.636 3.852 1.00 20.30 N ATOM 1282 CA ILE A 82 23.983 -11.031 2.888 1.00 73.00 C ATOM 1283 C ILE A 82 23.351 -12.365 3.272 1.00 51.25 C ATOM 1284 O ILE A 82 22.213 -12.653 2.904 1.00 54.53 O ATOM 1285 CB ILE A 82 24.564 -11.143 1.467 1.00 21.14 C ATOM 1286 CG1 ILE A 82 25.187 -9.811 1.041 1.00 71.04 C ATOM 1287 CG2 ILE A 82 23.484 -11.567 0.483 1.00 24.32 C ATOM 1288 CD1 ILE A 82 26.125 -9.933 -0.139 1.00 74.04 C ATOM 0 H ILE A 82 25.925 -10.475 3.449 1.00 20.30 H new ATOM 0 HA ILE A 82 23.220 -10.252 2.899 1.00 73.00 H new ATOM 0 HB ILE A 82 25.344 -11.904 1.469 1.00 21.14 H new ATOM 0 HG12 ILE A 82 24.391 -9.110 0.791 1.00 71.04 H new ATOM 0 HG13 ILE A 82 25.731 -9.387 1.885 1.00 71.04 H new ATOM 0 HG21 ILE A 82 23.912 -11.641 -0.517 1.00 24.32 H new ATOM 0 HG22 ILE A 82 23.082 -12.536 0.779 1.00 24.32 H new ATOM 0 HG23 ILE A 82 22.683 -10.828 0.481 1.00 24.32 H new ATOM 0 HD11 ILE A 82 26.529 -8.951 -0.386 1.00 74.04 H new ATOM 0 HD12 ILE A 82 26.942 -10.609 0.114 1.00 74.04 H new ATOM 0 HD13 ILE A 82 25.581 -10.327 -0.997 1.00 74.04 H new ATOM 1300 N ALA A 83 24.097 -13.173 4.017 1.00 45.23 N ATOM 1301 CA ALA A 83 23.609 -14.476 4.456 1.00 74.35 C ATOM 1302 C ALA A 83 22.580 -14.328 5.572 1.00 45.53 C ATOM 1303 O ALA A 83 21.421 -14.714 5.417 1.00 32.11 O ATOM 1304 CB ALA A 83 24.768 -15.347 4.915 1.00 60.43 C ATOM 0 H ALA A 83 25.042 -12.949 4.330 1.00 45.23 H new ATOM 0 HA ALA A 83 23.121 -14.958 3.609 1.00 74.35 H new ATOM 0 HB1 ALA A 83 24.389 -16.316 5.240 1.00 60.43 H new ATOM 0 HB2 ALA A 83 25.466 -15.488 4.090 1.00 60.43 H new ATOM 0 HB3 ALA A 83 25.281 -14.862 5.745 1.00 60.43 H new ATOM 1310 N VAL A 84 23.011 -13.769 6.699 1.00 34.24 N ATOM 1311 CA VAL A 84 22.127 -13.571 7.841 1.00 24.23 C ATOM 1312 C VAL A 84 20.849 -12.851 7.428 1.00 41.13 C ATOM 1313 O VAL A 84 19.764 -13.152 7.930 1.00 15.12 O ATOM 1314 CB VAL A 84 22.822 -12.763 8.954 1.00 10.01 C ATOM 1315 CG1 VAL A 84 21.873 -12.541 10.123 1.00 33.44 C ATOM 1316 CG2 VAL A 84 24.089 -13.469 9.412 1.00 51.10 C ATOM 0 H VAL A 84 23.967 -13.445 6.845 1.00 34.24 H new ATOM 0 HA VAL A 84 21.876 -14.560 8.223 1.00 24.23 H new ATOM 0 HB VAL A 84 23.101 -11.789 8.553 1.00 10.01 H new ATOM 0 HG11 VAL A 84 22.380 -11.969 10.900 1.00 33.44 H new ATOM 0 HG12 VAL A 84 20.997 -11.991 9.781 1.00 33.44 H new ATOM 0 HG13 VAL A 84 21.562 -13.504 10.527 1.00 33.44 H new ATOM 0 HG21 VAL A 84 24.567 -12.885 10.198 1.00 51.10 H new ATOM 0 HG22 VAL A 84 23.836 -14.457 9.797 1.00 51.10 H new ATOM 0 HG23 VAL A 84 24.773 -13.572 8.570 1.00 51.10 H new ATOM 1326 N LEU A 85 20.982 -11.899 6.511 1.00 45.03 N ATOM 1327 CA LEU A 85 19.836 -11.135 6.029 1.00 41.14 C ATOM 1328 C LEU A 85 18.919 -12.008 5.178 1.00 4.22 C ATOM 1329 O LEU A 85 17.715 -12.083 5.422 1.00 51.34 O ATOM 1330 CB LEU A 85 20.308 -9.928 5.217 1.00 40.22 C ATOM 1331 CG LEU A 85 19.348 -8.739 5.164 1.00 12.25 C ATOM 1332 CD1 LEU A 85 19.654 -7.756 6.283 1.00 30.31 C ATOM 1333 CD2 LEU A 85 19.429 -8.049 3.809 1.00 4.12 C ATOM 0 H LEU A 85 21.872 -11.638 6.086 1.00 45.03 H new ATOM 0 HA LEU A 85 19.274 -10.785 6.895 1.00 41.14 H new ATOM 0 HB2 LEU A 85 21.257 -9.585 5.630 1.00 40.22 H new ATOM 0 HB3 LEU A 85 20.505 -10.256 4.196 1.00 40.22 H new ATOM 0 HG LEU A 85 18.332 -9.110 5.301 1.00 12.25 H new ATOM 0 HD11 LEU A 85 18.961 -6.916 6.229 1.00 30.31 H new ATOM 0 HD12 LEU A 85 19.545 -8.255 7.246 1.00 30.31 H new ATOM 0 HD13 LEU A 85 20.675 -7.391 6.177 1.00 30.31 H new ATOM 0 HD21 LEU A 85 18.739 -7.205 3.789 1.00 4.12 H new ATOM 0 HD22 LEU A 85 20.445 -7.691 3.643 1.00 4.12 H new ATOM 0 HD23 LEU A 85 19.161 -8.756 3.024 1.00 4.12 H new ATOM 1345 N TYR A 86 19.497 -12.667 4.181 1.00 40.30 N ATOM 1346 CA TYR A 86 18.732 -13.535 3.292 1.00 23.42 C ATOM 1347 C TYR A 86 17.906 -14.539 4.091 1.00 24.32 C ATOM 1348 O TYR A 86 16.713 -14.716 3.842 1.00 11.32 O ATOM 1349 CB TYR A 86 19.669 -14.275 2.336 1.00 52.34 C ATOM 1350 CG TYR A 86 18.978 -15.339 1.514 1.00 70.41 C ATOM 1351 CD1 TYR A 86 18.264 -15.007 0.369 1.00 32.51 C ATOM 1352 CD2 TYR A 86 19.039 -16.678 1.883 1.00 15.10 C ATOM 1353 CE1 TYR A 86 17.630 -15.976 -0.384 1.00 24.24 C ATOM 1354 CE2 TYR A 86 18.410 -17.654 1.134 1.00 12.32 C ATOM 1355 CZ TYR A 86 17.707 -17.298 0.002 1.00 33.41 C ATOM 1356 OH TYR A 86 17.078 -18.267 -0.746 1.00 75.41 O ATOM 0 H TYR A 86 20.493 -12.617 3.967 1.00 40.30 H new ATOM 0 HA TYR A 86 18.052 -12.911 2.712 1.00 23.42 H new ATOM 0 HB2 TYR A 86 20.133 -13.553 1.664 1.00 52.34 H new ATOM 0 HB3 TYR A 86 20.471 -14.736 2.912 1.00 52.34 H new ATOM 0 HD1 TYR A 86 18.204 -13.973 0.062 1.00 32.51 H new ATOM 0 HD2 TYR A 86 19.587 -16.960 2.770 1.00 15.10 H new ATOM 0 HE1 TYR A 86 17.077 -15.700 -1.270 1.00 24.24 H new ATOM 0 HE2 TYR A 86 18.469 -18.690 1.433 1.00 12.32 H new ATOM 0 HH TYR A 86 17.231 -19.145 -0.339 1.00 75.41 H new ATOM 1366 N CYS A 87 18.549 -15.192 5.052 1.00 0.35 N ATOM 1367 CA CYS A 87 17.875 -16.180 5.889 1.00 34.25 C ATOM 1368 C CYS A 87 16.615 -15.592 6.516 1.00 14.22 C ATOM 1369 O CYS A 87 15.630 -16.297 6.732 1.00 50.12 O ATOM 1370 CB CYS A 87 18.819 -16.680 6.983 1.00 70.34 C ATOM 1371 SG CYS A 87 20.139 -17.758 6.384 1.00 5.45 S ATOM 0 H CYS A 87 19.536 -15.056 5.272 1.00 0.35 H new ATOM 0 HA CYS A 87 17.586 -17.020 5.257 1.00 34.25 H new ATOM 0 HB2 CYS A 87 19.266 -15.821 7.483 1.00 70.34 H new ATOM 0 HB3 CYS A 87 18.237 -17.218 7.732 1.00 70.34 H new ATOM 0 HG CYS A 87 21.065 -17.039 5.822 1.00 5.45 H new ATOM 1377 N VAL A 88 16.654 -14.295 6.806 1.00 11.24 N ATOM 1378 CA VAL A 88 15.516 -13.612 7.409 1.00 12.34 C ATOM 1379 C VAL A 88 14.357 -13.501 6.423 1.00 24.13 C ATOM 1380 O VAL A 88 13.208 -13.775 6.767 1.00 61.15 O ATOM 1381 CB VAL A 88 15.901 -12.201 7.893 1.00 43.41 C ATOM 1382 CG1 VAL A 88 14.739 -11.555 8.632 1.00 44.14 C ATOM 1383 CG2 VAL A 88 17.138 -12.261 8.776 1.00 43.25 C ATOM 0 H VAL A 88 17.462 -13.697 6.633 1.00 11.24 H new ATOM 0 HA VAL A 88 15.205 -14.210 8.266 1.00 12.34 H new ATOM 0 HB VAL A 88 16.133 -11.587 7.023 1.00 43.41 H new ATOM 0 HG11 VAL A 88 15.029 -10.559 8.967 1.00 44.14 H new ATOM 0 HG12 VAL A 88 13.881 -11.478 7.964 1.00 44.14 H new ATOM 0 HG13 VAL A 88 14.473 -12.165 9.496 1.00 44.14 H new ATOM 0 HG21 VAL A 88 17.396 -11.256 9.109 1.00 43.25 H new ATOM 0 HG22 VAL A 88 16.936 -12.890 9.643 1.00 43.25 H new ATOM 0 HG23 VAL A 88 17.969 -12.680 8.209 1.00 43.25 H new ATOM 1393 N HIS A 89 14.669 -13.096 5.196 1.00 44.43 N ATOM 1394 CA HIS A 89 13.653 -12.950 4.158 1.00 23.44 C ATOM 1395 C HIS A 89 13.013 -14.296 3.832 1.00 70.15 C ATOM 1396 O HIS A 89 11.820 -14.295 3.531 1.00 54.34 O ATOM 1397 CB HIS A 89 14.267 -12.346 2.895 1.00 64.31 C ATOM 1398 CG HIS A 89 14.690 -10.918 3.059 1.00 31.15 C ATOM 1399 ND1 HIS A 89 14.137 -10.072 3.997 1.00 34.00 N ATOM 1400 CD2 HIS A 89 15.619 -10.189 2.398 1.00 23.24 C ATOM 1401 CE1 HIS A 89 14.707 -8.884 3.905 1.00 41.31 C ATOM 1402 NE2 HIS A 89 15.612 -8.929 2.943 1.00 14.31 N ATOM 0 H HIS A 89 15.616 -12.863 4.896 1.00 44.43 H new ATOM 0 HA HIS A 89 12.879 -12.280 4.533 1.00 23.44 H new ATOM 0 HB2 HIS A 89 15.132 -12.941 2.601 1.00 64.31 H new ATOM 0 HB3 HIS A 89 13.544 -12.411 2.082 1.00 64.31 H new ATOM 0 HD1 HIS A 89 13.403 -10.324 4.658 1.00 34.00 H new ATOM 0 HD2 HIS A 89 16.249 -10.534 1.592 1.00 23.24 H new ATOM 0 HE1 HIS A 89 14.473 -8.022 4.513 1.00 41.31 H new ATOM 0 HE2 HIS A 89 16.208 -8.154 2.653 1.00 14.31 H new ATOM 1411 N GLN A 90 13.746 -15.403 3.883 1.00 61.25 N ATOM 1412 CA GLN A 90 13.177 -16.710 3.580 1.00 40.34 C ATOM 1413 C GLN A 90 12.395 -17.255 4.771 1.00 20.22 C ATOM 1414 O GLN A 90 11.165 -17.306 4.748 1.00 73.33 O ATOM 1415 CB GLN A 90 14.282 -17.693 3.189 1.00 11.41 C ATOM 1416 CG GLN A 90 14.514 -17.782 1.688 1.00 71.12 C ATOM 1417 CD GLN A 90 14.561 -19.213 1.189 1.00 64.32 C ATOM 1418 OE1 GLN A 90 13.663 -19.665 0.479 1.00 41.01 O ATOM 1419 NE2 GLN A 90 15.613 -19.934 1.558 1.00 30.02 N ATOM 0 H GLN A 90 14.735 -15.421 4.131 1.00 61.25 H new ATOM 0 HA GLN A 90 12.491 -16.592 2.742 1.00 40.34 H new ATOM 0 HB2 GLN A 90 15.211 -17.395 3.675 1.00 11.41 H new ATOM 0 HB3 GLN A 90 14.027 -18.683 3.568 1.00 11.41 H new ATOM 0 HG2 GLN A 90 13.719 -17.246 1.169 1.00 71.12 H new ATOM 0 HG3 GLN A 90 15.451 -17.283 1.439 1.00 71.12 H new ATOM 0 HE21 GLN A 90 16.334 -19.519 2.148 1.00 30.02 H new ATOM 0 HE22 GLN A 90 15.700 -20.903 1.252 1.00 30.02 H new ATOM 1428 N ARG A 91 13.117 -17.660 5.811 1.00 4.54 N ATOM 1429 CA ARG A 91 12.491 -18.202 7.010 1.00 63.41 C ATOM 1430 C ARG A 91 13.543 -18.573 8.052 1.00 32.02 C ATOM 1431 O ARG A 91 13.317 -18.431 9.255 1.00 51.31 O ATOM 1432 CB ARG A 91 11.648 -19.429 6.662 1.00 4.42 C ATOM 1433 CG ARG A 91 10.156 -19.224 6.869 1.00 21.12 C ATOM 1434 CD ARG A 91 9.627 -20.088 8.003 1.00 41.50 C ATOM 1435 NE ARG A 91 8.436 -19.512 8.620 1.00 45.45 N ATOM 1436 CZ ARG A 91 8.455 -18.420 9.377 1.00 10.22 C ATOM 1437 NH1 ARG A 91 9.598 -17.790 9.607 1.00 14.11 N ATOM 1438 NH2 ARG A 91 7.329 -17.956 9.904 1.00 4.22 N ATOM 0 H ARG A 91 14.136 -17.623 5.847 1.00 4.54 H new ATOM 0 HA ARG A 91 11.843 -17.433 7.430 1.00 63.41 H new ATOM 0 HB2 ARG A 91 11.828 -19.699 5.621 1.00 4.42 H new ATOM 0 HB3 ARG A 91 11.978 -20.270 7.271 1.00 4.42 H new ATOM 0 HG2 ARG A 91 9.959 -18.174 7.087 1.00 21.12 H new ATOM 0 HG3 ARG A 91 9.624 -19.464 5.949 1.00 21.12 H new ATOM 0 HD2 ARG A 91 9.393 -21.082 7.622 1.00 41.50 H new ATOM 0 HD3 ARG A 91 10.403 -20.210 8.758 1.00 41.50 H new ATOM 0 HE ARG A 91 7.540 -19.973 8.461 1.00 45.45 H new ATOM 0 HH11 ARG A 91 10.465 -18.143 9.203 1.00 14.11 H new ATOM 0 HH12 ARG A 91 9.610 -16.952 10.188 1.00 14.11 H new ATOM 0 HH21 ARG A 91 6.447 -18.438 9.728 1.00 4.22 H new ATOM 0 HH22 ARG A 91 7.345 -17.118 10.485 1.00 4.22 H new ATOM 1452 N ILE A 92 14.691 -19.048 7.583 1.00 2.35 N ATOM 1453 CA ILE A 92 15.777 -19.438 8.473 1.00 1.53 C ATOM 1454 C ILE A 92 16.107 -18.324 9.460 1.00 35.35 C ATOM 1455 O ILE A 92 16.364 -17.186 9.063 1.00 54.13 O ATOM 1456 CB ILE A 92 17.049 -19.804 7.684 1.00 41.51 C ATOM 1457 CG1 ILE A 92 16.758 -20.945 6.707 1.00 12.24 C ATOM 1458 CG2 ILE A 92 18.171 -20.188 8.636 1.00 61.34 C ATOM 1459 CD1 ILE A 92 16.931 -20.557 5.256 1.00 33.41 C ATOM 0 H ILE A 92 14.893 -19.172 6.591 1.00 2.35 H new ATOM 0 HA ILE A 92 15.435 -20.316 9.021 1.00 1.53 H new ATOM 0 HB ILE A 92 17.367 -18.933 7.112 1.00 41.51 H new ATOM 0 HG12 ILE A 92 17.419 -21.782 6.932 1.00 12.24 H new ATOM 0 HG13 ILE A 92 15.737 -21.294 6.862 1.00 12.24 H new ATOM 0 HG21 ILE A 92 19.062 -20.444 8.063 1.00 61.34 H new ATOM 0 HG22 ILE A 92 18.392 -19.349 9.296 1.00 61.34 H new ATOM 0 HG23 ILE A 92 17.864 -21.047 9.232 1.00 61.34 H new ATOM 0 HD11 ILE A 92 16.708 -21.414 4.621 1.00 33.41 H new ATOM 0 HD12 ILE A 92 16.251 -19.740 5.014 1.00 33.41 H new ATOM 0 HD13 ILE A 92 17.959 -20.236 5.085 1.00 33.41 H new ATOM 1471 N ASP A 93 16.101 -18.658 10.745 1.00 34.53 N ATOM 1472 CA ASP A 93 16.403 -17.685 11.789 1.00 72.22 C ATOM 1473 C ASP A 93 17.630 -18.110 12.589 1.00 64.14 C ATOM 1474 O ASP A 93 17.568 -18.257 13.811 1.00 53.44 O ATOM 1475 CB ASP A 93 15.202 -17.517 12.721 1.00 24.42 C ATOM 1476 CG ASP A 93 15.413 -16.418 13.744 1.00 4.23 C ATOM 1477 OD1 ASP A 93 16.167 -15.468 13.447 1.00 71.31 O ATOM 1478 OD2 ASP A 93 14.823 -16.508 14.842 1.00 11.15 O ATOM 0 H ASP A 93 15.890 -19.595 11.089 1.00 34.53 H new ATOM 0 HA ASP A 93 16.618 -16.729 11.311 1.00 72.22 H new ATOM 0 HB2 ASP A 93 14.315 -17.293 12.129 1.00 24.42 H new ATOM 0 HB3 ASP A 93 15.012 -18.458 13.237 1.00 24.42 H new ATOM 1483 N VAL A 94 18.745 -18.308 11.894 1.00 33.22 N ATOM 1484 CA VAL A 94 19.987 -18.717 12.540 1.00 52.13 C ATOM 1485 C VAL A 94 20.328 -17.796 13.706 1.00 11.23 C ATOM 1486 O VAL A 94 19.765 -16.710 13.840 1.00 22.22 O ATOM 1487 CB VAL A 94 21.161 -18.722 11.543 1.00 25.22 C ATOM 1488 CG1 VAL A 94 20.870 -19.657 10.379 1.00 23.02 C ATOM 1489 CG2 VAL A 94 21.446 -17.312 11.047 1.00 44.22 C ATOM 0 H VAL A 94 18.814 -18.192 10.883 1.00 33.22 H new ATOM 0 HA VAL A 94 19.833 -19.729 12.914 1.00 52.13 H new ATOM 0 HB VAL A 94 22.050 -19.088 12.058 1.00 25.22 H new ATOM 0 HG11 VAL A 94 21.711 -19.647 9.685 1.00 23.02 H new ATOM 0 HG12 VAL A 94 20.721 -20.670 10.754 1.00 23.02 H new ATOM 0 HG13 VAL A 94 19.969 -19.325 9.862 1.00 23.02 H new ATOM 0 HG21 VAL A 94 22.278 -17.335 10.344 1.00 44.22 H new ATOM 0 HG22 VAL A 94 20.561 -16.916 10.549 1.00 44.22 H new ATOM 0 HG23 VAL A 94 21.703 -16.674 11.892 1.00 44.22 H new ATOM 1499 N LYS A 95 21.255 -18.238 14.549 1.00 32.24 N ATOM 1500 CA LYS A 95 21.675 -17.455 15.704 1.00 64.52 C ATOM 1501 C LYS A 95 22.926 -16.642 15.386 1.00 11.32 C ATOM 1502 O LYS A 95 23.171 -15.599 15.991 1.00 24.52 O ATOM 1503 CB LYS A 95 21.941 -18.372 16.900 1.00 52.41 C ATOM 1504 CG LYS A 95 21.026 -18.109 18.085 1.00 14.53 C ATOM 1505 CD LYS A 95 19.903 -19.130 18.158 1.00 20.50 C ATOM 1506 CE LYS A 95 20.174 -20.180 19.226 1.00 71.25 C ATOM 1507 NZ LYS A 95 18.919 -20.837 19.687 1.00 51.51 N ATOM 0 H LYS A 95 21.730 -19.136 14.453 1.00 32.24 H new ATOM 0 HA LYS A 95 20.869 -16.766 15.955 1.00 64.52 H new ATOM 0 HB2 LYS A 95 21.824 -19.409 16.585 1.00 52.41 H new ATOM 0 HB3 LYS A 95 22.977 -18.250 17.217 1.00 52.41 H new ATOM 0 HG2 LYS A 95 21.606 -18.138 19.007 1.00 14.53 H new ATOM 0 HG3 LYS A 95 20.604 -17.107 18.005 1.00 14.53 H new ATOM 0 HD2 LYS A 95 18.962 -18.623 18.374 1.00 20.50 H new ATOM 0 HD3 LYS A 95 19.788 -19.616 17.189 1.00 20.50 H new ATOM 0 HE2 LYS A 95 20.855 -20.934 18.830 1.00 71.25 H new ATOM 0 HE3 LYS A 95 20.674 -19.714 20.075 1.00 71.25 H new ATOM 0 HZ1 LYS A 95 19.145 -21.546 20.414 1.00 51.51 H new ATOM 0 HZ2 LYS A 95 18.280 -20.121 20.088 1.00 51.51 H new ATOM 0 HZ3 LYS A 95 18.455 -21.303 18.881 1.00 51.51 H new ATOM 1521 N ASP A 96 23.713 -17.127 14.431 1.00 70.42 N ATOM 1522 CA ASP A 96 24.937 -16.443 14.030 1.00 2.34 C ATOM 1523 C ASP A 96 25.100 -16.466 12.513 1.00 43.20 C ATOM 1524 O ASP A 96 24.228 -16.949 11.792 1.00 53.31 O ATOM 1525 CB ASP A 96 26.151 -17.094 14.696 1.00 50.40 C ATOM 1526 CG ASP A 96 26.093 -18.609 14.651 1.00 73.50 C ATOM 1527 OD1 ASP A 96 25.803 -19.160 13.568 1.00 31.23 O ATOM 1528 OD2 ASP A 96 26.338 -19.242 15.698 1.00 45.51 O ATOM 0 H ASP A 96 23.525 -17.990 13.921 1.00 70.42 H new ATOM 0 HA ASP A 96 24.867 -15.405 14.354 1.00 2.34 H new ATOM 0 HB2 ASP A 96 27.060 -16.753 14.200 1.00 50.40 H new ATOM 0 HB3 ASP A 96 26.212 -16.766 15.734 1.00 50.40 H new ATOM 1533 N THR A 97 26.224 -15.938 12.036 1.00 61.14 N ATOM 1534 CA THR A 97 26.500 -15.895 10.606 1.00 44.24 C ATOM 1535 C THR A 97 27.015 -17.240 10.105 1.00 41.42 C ATOM 1536 O THR A 97 26.875 -17.570 8.927 1.00 1.33 O ATOM 1537 CB THR A 97 27.532 -14.805 10.266 1.00 22.54 C ATOM 1538 OG1 THR A 97 27.117 -13.549 10.815 1.00 3.02 O ATOM 1539 CG2 THR A 97 27.705 -14.673 8.760 1.00 41.11 C ATOM 0 H THR A 97 26.957 -15.535 12.620 1.00 61.14 H new ATOM 0 HA THR A 97 25.558 -15.661 10.109 1.00 44.24 H new ATOM 0 HB THR A 97 28.489 -15.094 10.702 1.00 22.54 H new ATOM 0 HG1 THR A 97 27.902 -13.054 11.129 1.00 3.02 H new ATOM 0 HG21 THR A 97 28.439 -13.897 8.545 1.00 41.11 H new ATOM 0 HG22 THR A 97 28.049 -15.622 8.349 1.00 41.11 H new ATOM 0 HG23 THR A 97 26.751 -14.406 8.306 1.00 41.11 H new ATOM 1547 N LYS A 98 27.610 -18.014 11.007 1.00 30.14 N ATOM 1548 CA LYS A 98 28.144 -19.324 10.657 1.00 3.11 C ATOM 1549 C LYS A 98 27.024 -20.280 10.256 1.00 22.43 C ATOM 1550 O LYS A 98 27.101 -20.938 9.219 1.00 75.14 O ATOM 1551 CB LYS A 98 28.929 -19.908 11.835 1.00 32.53 C ATOM 1552 CG LYS A 98 29.395 -21.336 11.608 1.00 33.10 C ATOM 1553 CD LYS A 98 28.572 -22.326 12.416 1.00 21.14 C ATOM 1554 CE LYS A 98 29.252 -23.685 12.490 1.00 53.51 C ATOM 1555 NZ LYS A 98 28.286 -24.770 12.819 1.00 35.31 N ATOM 0 H LYS A 98 27.734 -17.756 11.986 1.00 30.14 H new ATOM 0 HA LYS A 98 28.814 -19.200 9.806 1.00 3.11 H new ATOM 0 HB2 LYS A 98 29.797 -19.278 12.030 1.00 32.53 H new ATOM 0 HB3 LYS A 98 28.305 -19.876 12.728 1.00 32.53 H new ATOM 0 HG2 LYS A 98 29.321 -21.580 10.548 1.00 33.10 H new ATOM 0 HG3 LYS A 98 30.446 -21.425 11.883 1.00 33.10 H new ATOM 0 HD2 LYS A 98 28.420 -21.938 13.423 1.00 21.14 H new ATOM 0 HD3 LYS A 98 27.586 -22.435 11.965 1.00 21.14 H new ATOM 0 HE2 LYS A 98 29.733 -23.903 11.536 1.00 53.51 H new ATOM 0 HE3 LYS A 98 30.038 -23.657 13.244 1.00 53.51 H new ATOM 0 HZ1 LYS A 98 28.787 -25.680 12.860 1.00 35.31 H new ATOM 0 HZ2 LYS A 98 27.846 -24.575 13.741 1.00 35.31 H new ATOM 0 HZ3 LYS A 98 27.550 -24.813 12.086 1.00 35.31 H new ATOM 1569 N GLU A 99 25.987 -20.348 11.084 1.00 42.50 N ATOM 1570 CA GLU A 99 24.852 -21.223 10.813 1.00 73.43 C ATOM 1571 C GLU A 99 24.223 -20.896 9.461 1.00 23.41 C ATOM 1572 O GLU A 99 23.899 -21.792 8.683 1.00 33.31 O ATOM 1573 CB GLU A 99 23.803 -21.092 11.920 1.00 63.31 C ATOM 1574 CG GLU A 99 23.930 -22.147 13.006 1.00 61.12 C ATOM 1575 CD GLU A 99 23.180 -23.422 12.670 1.00 25.41 C ATOM 1576 OE1 GLU A 99 23.186 -23.818 11.486 1.00 51.34 O ATOM 1577 OE2 GLU A 99 22.590 -24.023 13.591 1.00 52.33 O ATOM 0 H GLU A 99 25.909 -19.809 11.946 1.00 42.50 H new ATOM 0 HA GLU A 99 25.216 -22.250 10.786 1.00 73.43 H new ATOM 0 HB2 GLU A 99 23.887 -20.104 12.373 1.00 63.31 H new ATOM 0 HB3 GLU A 99 22.809 -21.156 11.477 1.00 63.31 H new ATOM 0 HG2 GLU A 99 24.984 -22.379 13.160 1.00 61.12 H new ATOM 0 HG3 GLU A 99 23.552 -21.744 13.945 1.00 61.12 H new ATOM 1584 N ALA A 100 24.054 -19.606 9.191 1.00 30.23 N ATOM 1585 CA ALA A 100 23.466 -19.159 7.934 1.00 13.33 C ATOM 1586 C ALA A 100 24.272 -19.664 6.741 1.00 61.44 C ATOM 1587 O ALA A 100 23.736 -19.836 5.645 1.00 25.05 O ATOM 1588 CB ALA A 100 23.371 -17.641 7.905 1.00 32.13 C ATOM 0 H ALA A 100 24.316 -18.852 9.826 1.00 30.23 H new ATOM 0 HA ALA A 100 22.461 -19.576 7.863 1.00 13.33 H new ATOM 0 HB1 ALA A 100 22.930 -17.322 6.961 1.00 32.13 H new ATOM 0 HB2 ALA A 100 22.746 -17.300 8.731 1.00 32.13 H new ATOM 0 HB3 ALA A 100 24.368 -17.212 8.003 1.00 32.13 H new ATOM 1594 N LEU A 101 25.561 -19.897 6.961 1.00 34.43 N ATOM 1595 CA LEU A 101 26.442 -20.381 5.904 1.00 31.03 C ATOM 1596 C LEU A 101 26.214 -21.866 5.642 1.00 12.21 C ATOM 1597 O LEU A 101 26.183 -22.306 4.492 1.00 32.34 O ATOM 1598 CB LEU A 101 27.905 -20.136 6.280 1.00 53.52 C ATOM 1599 CG LEU A 101 28.780 -19.505 5.197 1.00 72.14 C ATOM 1600 CD1 LEU A 101 28.853 -20.408 3.975 1.00 24.44 C ATOM 1601 CD2 LEU A 101 28.249 -18.131 4.815 1.00 50.34 C ATOM 0 H LEU A 101 26.019 -19.759 7.862 1.00 34.43 H new ATOM 0 HA LEU A 101 26.211 -19.831 4.992 1.00 31.03 H new ATOM 0 HB2 LEU A 101 27.930 -19.493 7.160 1.00 53.52 H new ATOM 0 HB3 LEU A 101 28.349 -21.089 6.569 1.00 53.52 H new ATOM 0 HG LEU A 101 29.787 -19.386 5.596 1.00 72.14 H new ATOM 0 HD11 LEU A 101 29.480 -19.942 3.215 1.00 24.44 H new ATOM 0 HD12 LEU A 101 29.280 -21.370 4.258 1.00 24.44 H new ATOM 0 HD13 LEU A 101 27.851 -20.560 3.575 1.00 24.44 H new ATOM 0 HD21 LEU A 101 28.884 -17.697 4.043 1.00 50.34 H new ATOM 0 HD22 LEU A 101 27.231 -18.227 4.436 1.00 50.34 H new ATOM 0 HD23 LEU A 101 28.250 -17.484 5.692 1.00 50.34 H new ATOM 1613 N ASP A 102 26.052 -22.632 6.715 1.00 53.12 N ATOM 1614 CA ASP A 102 25.822 -24.068 6.600 1.00 31.51 C ATOM 1615 C ASP A 102 24.490 -24.353 5.914 1.00 22.32 C ATOM 1616 O ASP A 102 24.374 -25.290 5.124 1.00 22.01 O ATOM 1617 CB ASP A 102 25.847 -24.721 7.984 1.00 11.13 C ATOM 1618 CG ASP A 102 27.257 -24.949 8.491 1.00 32.45 C ATOM 1619 OD1 ASP A 102 28.198 -24.368 7.909 1.00 71.25 O ATOM 1620 OD2 ASP A 102 27.421 -25.708 9.469 1.00 22.24 O ATOM 0 H ASP A 102 26.076 -22.284 7.673 1.00 53.12 H new ATOM 0 HA ASP A 102 26.621 -24.491 5.991 1.00 31.51 H new ATOM 0 HB2 ASP A 102 25.308 -24.090 8.690 1.00 11.13 H new ATOM 0 HB3 ASP A 102 25.320 -25.674 7.942 1.00 11.13 H new ATOM 1625 N LYS A 103 23.486 -23.538 6.221 1.00 0.22 N ATOM 1626 CA LYS A 103 22.161 -23.701 5.635 1.00 31.14 C ATOM 1627 C LYS A 103 22.205 -23.488 4.125 1.00 32.00 C ATOM 1628 O LYS A 103 21.750 -24.335 3.355 1.00 62.15 O ATOM 1629 CB LYS A 103 21.174 -22.719 6.270 1.00 22.23 C ATOM 1630 CG LYS A 103 20.156 -23.383 7.181 1.00 11.13 C ATOM 1631 CD LYS A 103 19.086 -24.108 6.384 1.00 4.42 C ATOM 1632 CE LYS A 103 17.979 -24.634 7.286 1.00 32.02 C ATOM 1633 NZ LYS A 103 17.399 -25.905 6.771 1.00 14.14 N ATOM 0 H LYS A 103 23.565 -22.757 6.873 1.00 0.22 H new ATOM 0 HA LYS A 103 21.827 -24.720 5.832 1.00 31.14 H new ATOM 0 HB2 LYS A 103 21.730 -21.976 6.842 1.00 22.23 H new ATOM 0 HB3 LYS A 103 20.647 -22.184 5.480 1.00 22.23 H new ATOM 0 HG2 LYS A 103 20.662 -24.089 7.840 1.00 11.13 H new ATOM 0 HG3 LYS A 103 19.690 -22.631 7.817 1.00 11.13 H new ATOM 0 HD2 LYS A 103 18.662 -23.431 5.643 1.00 4.42 H new ATOM 0 HD3 LYS A 103 19.537 -24.937 5.838 1.00 4.42 H new ATOM 0 HE2 LYS A 103 18.374 -24.796 8.289 1.00 32.02 H new ATOM 0 HE3 LYS A 103 17.192 -23.884 7.370 1.00 32.02 H new ATOM 0 HZ1 LYS A 103 16.649 -26.230 7.414 1.00 14.14 H new ATOM 0 HZ2 LYS A 103 16.999 -25.746 5.824 1.00 14.14 H new ATOM 0 HZ3 LYS A 103 18.144 -26.629 6.715 1.00 14.14 H new ATOM 1647 N ILE A 104 22.755 -22.353 3.708 1.00 30.53 N ATOM 1648 CA ILE A 104 22.861 -22.030 2.290 1.00 45.55 C ATOM 1649 C ILE A 104 23.787 -23.006 1.572 1.00 10.01 C ATOM 1650 O ILE A 104 23.513 -23.425 0.448 1.00 71.14 O ATOM 1651 CB ILE A 104 23.377 -20.596 2.075 1.00 32.43 C ATOM 1652 CG1 ILE A 104 22.459 -19.591 2.773 1.00 62.40 C ATOM 1653 CG2 ILE A 104 23.478 -20.286 0.590 1.00 15.44 C ATOM 1654 CD1 ILE A 104 23.059 -18.206 2.893 1.00 4.43 C ATOM 0 H ILE A 104 23.134 -21.641 4.332 1.00 30.53 H new ATOM 0 HA ILE A 104 21.857 -22.111 1.872 1.00 45.55 H new ATOM 0 HB ILE A 104 24.373 -20.515 2.511 1.00 32.43 H new ATOM 0 HG12 ILE A 104 21.521 -19.525 2.223 1.00 62.40 H new ATOM 0 HG13 ILE A 104 22.219 -19.962 3.769 1.00 62.40 H new ATOM 0 HG21 ILE A 104 23.844 -19.268 0.455 1.00 15.44 H new ATOM 0 HG22 ILE A 104 24.168 -20.986 0.118 1.00 15.44 H new ATOM 0 HG23 ILE A 104 22.494 -20.381 0.131 1.00 15.44 H new ATOM 0 HD11 ILE A 104 22.353 -17.546 3.398 1.00 4.43 H new ATOM 0 HD12 ILE A 104 23.983 -18.258 3.469 1.00 4.43 H new ATOM 0 HD13 ILE A 104 23.274 -17.815 1.898 1.00 4.43 H new