USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 565 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 Single : A 4 SER OG : rot 28:sc= 0.0827 USER MOD Single : A 8 GLN : amide:sc= -1.44! K(o=-1.4!,f=-0.046) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0567 USER MOD Single : A 27 GLN : amide:sc= -1.3! K(o=-1.3!,f=-0.034) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot -165:sc= 0.431 USER MOD Single : A 42 TYR OH : rot 0:sc= -0.0449 USER MOD Single : A 54 LYS NZ :NH3+ 162:sc= 1.22 (180deg=0.716) USER MOD Single : A 57 LYS NZ :NH3+ -176:sc= 0.82 (180deg=0.586) USER MOD Single : A 61 ASN : amide:sc= -0.327 X(o=-0.33,f=0) USER MOD Single : A 63 SER OG : rot 180:sc=-0.00527 USER MOD Single : A 65 THR OG1 : rot 171:sc= 0.467 USER MOD Single : A 67 MET CE :methyl 163:sc= 0 (180deg=-0.322) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.937 USER MOD Single : A 71 SER OG : rot 39:sc= 0.39 USER MOD ----------------------------------------------------------------- ATOM 38 N SER A 4 9.229 -5.317 1.051 1.00 71.02 N ATOM 39 CA SER A 4 9.346 -6.604 1.706 1.00 42.34 C ATOM 40 C SER A 4 10.204 -6.466 2.954 1.00 25.41 C ATOM 41 O SER A 4 11.433 -6.432 2.885 1.00 72.11 O ATOM 42 CB SER A 4 9.943 -7.641 0.753 1.00 74.12 C ATOM 43 OG SER A 4 9.154 -7.758 -0.419 1.00 34.13 O ATOM 0 HA SER A 4 8.352 -6.946 1.995 1.00 42.34 H new ATOM 0 HB2 SER A 4 10.960 -7.353 0.486 1.00 74.12 H new ATOM 0 HB3 SER A 4 10.006 -8.608 1.253 1.00 74.12 H new ATOM 0 HG SER A 4 8.693 -6.910 -0.589 1.00 34.13 H new ATOM 49 N GLU A 5 9.548 -6.357 4.094 1.00 73.11 N ATOM 50 CA GLU A 5 10.242 -6.165 5.348 1.00 2.22 C ATOM 51 C GLU A 5 10.042 -7.379 6.236 1.00 63.11 C ATOM 52 O GLU A 5 8.999 -7.532 6.877 1.00 33.12 O ATOM 53 CB GLU A 5 9.725 -4.896 6.029 1.00 74.03 C ATOM 54 CG GLU A 5 9.840 -3.664 5.144 1.00 3.23 C ATOM 55 CD GLU A 5 9.169 -2.442 5.732 1.00 61.35 C ATOM 56 OE1 GLU A 5 9.778 -1.791 6.603 1.00 21.51 O ATOM 57 OE2 GLU A 5 8.039 -2.111 5.303 1.00 22.25 O1- ATOM 0 H GLU A 5 8.532 -6.399 4.175 1.00 73.11 H new ATOM 0 HA GLU A 5 11.310 -6.049 5.165 1.00 2.22 H new ATOM 0 HB2 GLU A 5 8.682 -5.039 6.311 1.00 74.03 H new ATOM 0 HB3 GLU A 5 10.284 -4.730 6.950 1.00 74.03 H new ATOM 0 HG2 GLU A 5 10.894 -3.445 4.973 1.00 3.23 H new ATOM 0 HG3 GLU A 5 9.398 -3.881 4.172 1.00 3.23 H new ATOM 64 N GLY A 6 11.025 -8.262 6.228 1.00 13.15 N ATOM 65 CA GLY A 6 10.943 -9.461 7.020 1.00 42.42 C ATOM 66 C GLY A 6 12.288 -10.121 7.197 1.00 52.24 C ATOM 67 O GLY A 6 13.265 -9.744 6.546 1.00 3.43 O ATOM 0 H GLY A 6 11.882 -8.166 5.683 1.00 13.15 H new ATOM 0 HA2 GLY A 6 10.527 -9.220 7.998 1.00 42.42 H new ATOM 0 HA3 GLY A 6 10.256 -10.162 6.545 1.00 42.42 H new ATOM 71 N CYS A 7 12.330 -11.119 8.057 1.00 10.20 N ATOM 72 CA CYS A 7 13.539 -11.889 8.284 1.00 70.11 C ATOM 73 C CYS A 7 13.423 -13.243 7.597 1.00 4.44 C ATOM 74 O CYS A 7 12.318 -13.743 7.392 1.00 72.14 O ATOM 75 CB CYS A 7 13.756 -12.079 9.782 1.00 4.33 C ATOM 76 SG CYS A 7 13.621 -10.539 10.740 1.00 21.12 S ATOM 0 H CYS A 7 11.532 -11.419 8.616 1.00 10.20 H new ATOM 0 HA CYS A 7 14.391 -11.352 7.868 1.00 70.11 H new ATOM 0 HB2 CYS A 7 13.026 -12.796 10.158 1.00 4.33 H new ATOM 0 HB3 CYS A 7 14.742 -12.513 9.945 1.00 4.33 H new ATOM 81 N GLN A 8 14.555 -13.830 7.237 1.00 15.12 N ATOM 82 CA GLN A 8 14.558 -15.120 6.556 1.00 64.14 C ATOM 83 C GLN A 8 14.605 -16.269 7.556 1.00 64.22 C ATOM 84 O GLN A 8 14.631 -16.052 8.771 1.00 1.10 O ATOM 85 CB GLN A 8 15.751 -15.230 5.609 1.00 50.41 C ATOM 86 CG GLN A 8 17.097 -15.180 6.315 1.00 43.35 C ATOM 87 CD GLN A 8 18.249 -15.627 5.433 1.00 51.10 C ATOM 88 OE1 GLN A 8 19.371 -15.142 5.570 1.00 41.23 O ATOM 89 NE2 GLN A 8 17.994 -16.576 4.544 1.00 23.50 N ATOM 0 H GLN A 8 15.481 -13.437 7.404 1.00 15.12 H new ATOM 0 HA GLN A 8 13.634 -15.187 5.982 1.00 64.14 H new ATOM 0 HB2 GLN A 8 15.677 -16.164 5.052 1.00 50.41 H new ATOM 0 HB3 GLN A 8 15.702 -14.420 4.881 1.00 50.41 H new ATOM 0 HG2 GLN A 8 17.283 -14.162 6.658 1.00 43.35 H new ATOM 0 HG3 GLN A 8 17.059 -15.813 7.202 1.00 43.35 H new ATOM 0 HE21 GLN A 8 17.051 -16.955 4.459 1.00 23.50 H new ATOM 0 HE22 GLN A 8 18.741 -16.928 3.945 1.00 23.50 H new ATOM 98 N ILE A 9 14.635 -17.488 7.037 1.00 54.54 N ATOM 99 CA ILE A 9 14.741 -18.673 7.870 1.00 64.42 C ATOM 100 C ILE A 9 16.204 -18.999 8.128 1.00 73.43 C ATOM 101 O ILE A 9 16.983 -19.219 7.195 1.00 71.43 O ATOM 102 CB ILE A 9 14.047 -19.892 7.219 1.00 54.42 C ATOM 103 CG1 ILE A 9 12.529 -19.732 7.272 1.00 1.03 C ATOM 104 CG2 ILE A 9 14.477 -21.193 7.886 1.00 60.45 C ATOM 105 CD1 ILE A 9 11.776 -20.929 6.733 1.00 23.41 C ATOM 0 H ILE A 9 14.587 -17.681 6.037 1.00 54.54 H new ATOM 0 HA ILE A 9 14.238 -18.460 8.813 1.00 64.42 H new ATOM 0 HB ILE A 9 14.354 -19.938 6.174 1.00 54.42 H new ATOM 0 HG12 ILE A 9 12.226 -19.557 8.304 1.00 1.03 H new ATOM 0 HG13 ILE A 9 12.245 -18.847 6.702 1.00 1.03 H new ATOM 0 HG21 ILE A 9 13.972 -22.032 7.407 1.00 60.45 H new ATOM 0 HG22 ILE A 9 15.556 -21.314 7.787 1.00 60.45 H new ATOM 0 HG23 ILE A 9 14.211 -21.165 8.943 1.00 60.45 H new ATOM 0 HD11 ILE A 9 10.704 -20.745 6.802 1.00 23.41 H new ATOM 0 HD12 ILE A 9 12.050 -21.092 5.691 1.00 23.41 H new ATOM 0 HD13 ILE A 9 12.031 -21.813 7.318 1.00 23.41 H new ATOM 117 N ILE A 10 16.563 -19.009 9.401 1.00 1.44 N ATOM 118 CA ILE A 10 17.926 -19.278 9.824 1.00 53.14 C ATOM 119 C ILE A 10 18.242 -20.764 9.696 1.00 15.30 C ATOM 120 O ILE A 10 17.414 -21.615 10.020 1.00 44.43 O ATOM 121 CB ILE A 10 18.146 -18.823 11.285 1.00 44.30 C ATOM 122 CG1 ILE A 10 17.769 -17.344 11.435 1.00 13.24 C ATOM 123 CG2 ILE A 10 19.592 -19.054 11.715 1.00 25.05 C ATOM 124 CD1 ILE A 10 17.835 -16.836 12.858 1.00 42.33 C ATOM 0 H ILE A 10 15.917 -18.831 10.170 1.00 1.44 H new ATOM 0 HA ILE A 10 18.596 -18.714 9.175 1.00 53.14 H new ATOM 0 HB ILE A 10 17.504 -19.418 11.934 1.00 44.30 H new ATOM 0 HG12 ILE A 10 18.435 -16.745 10.814 1.00 13.24 H new ATOM 0 HG13 ILE A 10 16.759 -17.196 11.053 1.00 13.24 H new ATOM 0 HG21 ILE A 10 19.722 -18.726 12.746 1.00 25.05 H new ATOM 0 HG22 ILE A 10 19.829 -20.115 11.639 1.00 25.05 H new ATOM 0 HG23 ILE A 10 20.259 -18.486 11.067 1.00 25.05 H new ATOM 0 HD11 ILE A 10 17.555 -15.783 12.882 1.00 42.33 H new ATOM 0 HD12 ILE A 10 17.148 -17.409 13.481 1.00 42.33 H new ATOM 0 HD13 ILE A 10 18.850 -16.950 13.238 1.00 42.33 H new ATOM 136 N HIS A 11 19.436 -21.066 9.213 1.00 11.24 N ATOM 137 CA HIS A 11 19.865 -22.446 9.049 1.00 24.14 C ATOM 138 C HIS A 11 20.343 -23.000 10.387 1.00 73.03 C ATOM 139 O HIS A 11 21.114 -22.340 11.085 1.00 11.43 O ATOM 140 CB HIS A 11 20.982 -22.546 8.004 1.00 24.23 C ATOM 141 CG HIS A 11 20.553 -22.176 6.617 1.00 51.10 C ATOM 142 ND1 HIS A 11 20.165 -23.107 5.685 1.00 34.40 N ATOM 143 CD2 HIS A 11 20.459 -20.972 6.005 1.00 73.31 C ATOM 144 CE1 HIS A 11 19.848 -22.497 4.560 1.00 41.44 C ATOM 145 NE2 HIS A 11 20.019 -21.200 4.725 1.00 32.35 N ATOM 0 H HIS A 11 20.127 -20.373 8.927 1.00 11.24 H new ATOM 0 HA HIS A 11 19.018 -23.036 8.699 1.00 24.14 H new ATOM 0 HB2 HIS A 11 21.805 -21.898 8.304 1.00 24.23 H new ATOM 0 HB3 HIS A 11 21.367 -23.566 7.995 1.00 24.23 H new ATOM 0 HD2 HIS A 11 20.688 -20.011 6.442 1.00 73.31 H new ATOM 0 HE1 HIS A 11 19.506 -22.978 3.656 1.00 41.44 H new ATOM 0 HE2 HIS A 11 19.852 -20.484 4.018 1.00 32.35 H new ATOM 154 N PRO A 12 19.875 -24.206 10.762 1.00 62.10 N ATOM 155 CA PRO A 12 20.226 -24.848 12.039 1.00 31.33 C ATOM 156 C PRO A 12 21.733 -24.894 12.285 1.00 62.52 C ATOM 157 O PRO A 12 22.471 -25.570 11.564 1.00 11.24 O ATOM 158 CB PRO A 12 19.668 -26.263 11.889 1.00 52.40 C ATOM 159 CG PRO A 12 18.545 -26.123 10.923 1.00 51.45 C ATOM 160 CD PRO A 12 18.955 -25.038 9.966 1.00 4.22 C ATOM 0 HA PRO A 12 19.821 -24.299 12.889 1.00 31.33 H new ATOM 0 HB2 PRO A 12 20.427 -26.951 11.517 1.00 52.40 H new ATOM 0 HB3 PRO A 12 19.322 -26.656 12.845 1.00 52.40 H new ATOM 0 HG2 PRO A 12 18.364 -27.060 10.396 1.00 51.45 H new ATOM 0 HG3 PRO A 12 17.619 -25.862 11.436 1.00 51.45 H new ATOM 0 HD2 PRO A 12 19.446 -25.446 9.083 1.00 4.22 H new ATOM 0 HD3 PRO A 12 18.096 -24.465 9.617 1.00 4.22 H new ATOM 168 N PRO A 13 22.208 -24.154 13.299 1.00 72.42 N ATOM 169 CA PRO A 13 23.629 -24.080 13.629 1.00 11.03 C ATOM 170 C PRO A 13 24.119 -25.327 14.359 1.00 21.12 C ATOM 171 O PRO A 13 24.722 -26.215 13.755 1.00 10.42 O ATOM 172 CB PRO A 13 23.740 -22.841 14.536 1.00 63.12 C ATOM 173 CG PRO A 13 22.371 -22.233 14.576 1.00 12.24 C ATOM 174 CD PRO A 13 21.406 -23.319 14.193 1.00 11.22 C ATOM 0 HA PRO A 13 24.246 -24.013 12.733 1.00 11.03 H new ATOM 0 HB2 PRO A 13 24.073 -23.118 15.536 1.00 63.12 H new ATOM 0 HB3 PRO A 13 24.470 -22.133 14.142 1.00 63.12 H new ATOM 0 HG2 PRO A 13 22.147 -21.849 15.571 1.00 12.24 H new ATOM 0 HG3 PRO A 13 22.301 -21.392 13.887 1.00 12.24 H new ATOM 0 HD2 PRO A 13 21.055 -23.875 15.062 1.00 11.22 H new ATOM 0 HD3 PRO A 13 20.524 -22.920 13.693 1.00 11.22 H new ATOM 182 N TRP A 14 23.855 -25.392 15.654 1.00 13.53 N ATOM 183 CA TRP A 14 24.265 -26.527 16.460 1.00 55.11 C ATOM 184 C TRP A 14 23.071 -27.448 16.692 1.00 13.40 C ATOM 185 O TRP A 14 21.988 -27.200 16.158 1.00 31.14 O ATOM 186 CB TRP A 14 24.856 -26.043 17.787 1.00 53.25 C ATOM 187 CG TRP A 14 25.893 -26.968 18.346 1.00 30.52 C ATOM 188 CD1 TRP A 14 25.844 -27.635 19.535 1.00 34.14 C ATOM 189 CD2 TRP A 14 27.131 -27.336 17.726 1.00 32.13 C ATOM 190 NE1 TRP A 14 26.978 -28.393 19.693 1.00 11.25 N ATOM 191 CE2 TRP A 14 27.783 -28.227 18.597 1.00 72.24 C ATOM 192 CE3 TRP A 14 27.753 -26.998 16.520 1.00 52.43 C ATOM 193 CZ2 TRP A 14 29.024 -28.785 18.298 1.00 61.11 C ATOM 194 CZ3 TRP A 14 28.984 -27.552 16.225 1.00 24.33 C ATOM 195 CH2 TRP A 14 29.608 -28.438 17.110 1.00 71.42 C ATOM 0 H TRP A 14 23.356 -24.667 16.170 1.00 13.53 H new ATOM 0 HA TRP A 14 25.037 -27.089 15.934 1.00 55.11 H new ATOM 0 HB2 TRP A 14 25.299 -25.058 17.642 1.00 53.25 H new ATOM 0 HB3 TRP A 14 24.052 -25.927 18.514 1.00 53.25 H new ATOM 0 HD1 TRP A 14 25.034 -27.576 20.246 1.00 34.14 H new ATOM 0 HE1 TRP A 14 27.187 -28.985 20.497 1.00 11.25 H new ATOM 0 HE3 TRP A 14 27.279 -26.315 15.830 1.00 52.43 H new ATOM 0 HZ2 TRP A 14 29.508 -29.468 18.980 1.00 61.11 H new ATOM 0 HZ3 TRP A 14 29.472 -27.297 15.296 1.00 24.33 H new ATOM 0 HH2 TRP A 14 30.569 -28.856 16.851 1.00 71.42 H new ATOM 206 N GLU A 15 23.279 -28.521 17.452 1.00 44.34 N ATOM 207 CA GLU A 15 22.206 -29.460 17.769 1.00 22.34 C ATOM 208 C GLU A 15 21.054 -28.757 18.483 1.00 24.33 C ATOM 209 O GLU A 15 21.113 -28.499 19.686 1.00 3.10 O ATOM 210 CB GLU A 15 22.717 -30.613 18.638 1.00 35.12 C ATOM 211 CG GLU A 15 23.716 -31.522 17.939 1.00 53.31 C ATOM 212 CD GLU A 15 24.060 -32.754 18.758 1.00 41.30 C ATOM 213 OE1 GLU A 15 23.360 -33.782 18.622 1.00 63.35 O ATOM 214 OE2 GLU A 15 25.039 -32.706 19.533 1.00 74.13 O1- ATOM 0 H GLU A 15 24.182 -28.762 17.860 1.00 44.34 H new ATOM 0 HA GLU A 15 21.844 -29.865 16.824 1.00 22.34 H new ATOM 0 HB2 GLU A 15 23.182 -30.200 19.533 1.00 35.12 H new ATOM 0 HB3 GLU A 15 21.867 -31.210 18.967 1.00 35.12 H new ATOM 0 HG2 GLU A 15 23.308 -31.832 16.977 1.00 53.31 H new ATOM 0 HG3 GLU A 15 24.628 -30.962 17.732 1.00 53.31 H new ATOM 221 N GLY A 16 20.008 -28.454 17.733 1.00 71.54 N ATOM 222 CA GLY A 16 18.865 -27.776 18.296 1.00 11.25 C ATOM 223 C GLY A 16 17.833 -27.439 17.246 1.00 0.41 C ATOM 224 O GLY A 16 17.799 -28.055 16.177 1.00 33.22 O ATOM 0 H GLY A 16 19.931 -28.668 16.739 1.00 71.54 H new ATOM 0 HA2 GLY A 16 18.411 -28.405 19.062 1.00 11.25 H new ATOM 0 HA3 GLY A 16 19.193 -26.861 18.789 1.00 11.25 H new ATOM 228 N GLY A 17 16.996 -26.466 17.545 1.00 23.54 N ATOM 229 CA GLY A 17 15.985 -26.038 16.604 1.00 23.21 C ATOM 230 C GLY A 17 15.466 -24.663 16.945 1.00 4.21 C ATOM 231 O GLY A 17 16.005 -23.998 17.834 1.00 73.45 O ATOM 0 H GLY A 17 16.997 -25.959 18.430 1.00 23.54 H new ATOM 0 HA2 GLY A 17 16.402 -26.032 15.597 1.00 23.21 H new ATOM 0 HA3 GLY A 17 15.160 -26.751 16.604 1.00 23.21 H new ATOM 235 N ILE A 18 14.416 -24.231 16.269 1.00 13.11 N ATOM 236 CA ILE A 18 13.869 -22.913 16.516 1.00 4.12 C ATOM 237 C ILE A 18 12.388 -22.969 16.838 1.00 21.53 C ATOM 238 O ILE A 18 11.599 -23.622 16.153 1.00 64.33 O ATOM 239 CB ILE A 18 14.140 -21.949 15.342 1.00 60.43 C ATOM 240 CG1 ILE A 18 15.616 -21.563 15.354 1.00 33.34 C ATOM 241 CG2 ILE A 18 13.256 -20.709 15.428 1.00 50.32 C ATOM 242 CD1 ILE A 18 15.994 -20.539 14.303 1.00 70.34 C ATOM 0 H ILE A 18 13.930 -24.769 15.552 1.00 13.11 H new ATOM 0 HA ILE A 18 14.385 -22.520 17.392 1.00 4.12 H new ATOM 0 HB ILE A 18 13.899 -22.450 14.405 1.00 60.43 H new ATOM 0 HG12 ILE A 18 15.870 -21.169 16.338 1.00 33.34 H new ATOM 0 HG13 ILE A 18 16.217 -22.460 15.205 1.00 33.34 H new ATOM 0 HG21 ILE A 18 13.471 -20.050 14.587 1.00 50.32 H new ATOM 0 HG22 ILE A 18 12.208 -21.007 15.397 1.00 50.32 H new ATOM 0 HG23 ILE A 18 13.457 -20.183 16.361 1.00 50.32 H new ATOM 0 HD11 ILE A 18 17.059 -20.318 14.377 1.00 70.34 H new ATOM 0 HD12 ILE A 18 15.774 -20.936 13.312 1.00 70.34 H new ATOM 0 HD13 ILE A 18 15.422 -19.625 14.463 1.00 70.34 H new ATOM 254 N ARG A 19 12.039 -22.283 17.907 1.00 44.43 N ATOM 255 CA ARG A 19 10.680 -22.215 18.392 1.00 12.34 C ATOM 256 C ARG A 19 9.985 -20.989 17.818 1.00 54.31 C ATOM 257 O ARG A 19 10.339 -19.858 18.155 1.00 14.40 O ATOM 258 CB ARG A 19 10.710 -22.131 19.915 1.00 21.13 C ATOM 259 CG ARG A 19 9.354 -22.340 20.572 1.00 74.22 C ATOM 260 CD ARG A 19 8.906 -23.790 20.493 1.00 2.13 C ATOM 261 NE ARG A 19 9.642 -24.644 21.426 1.00 34.34 N ATOM 262 CZ ARG A 19 9.540 -25.973 21.461 1.00 15.24 C ATOM 263 NH1 ARG A 19 8.735 -26.608 20.618 1.00 45.21 N1+ ATOM 264 NH2 ARG A 19 10.236 -26.663 22.359 1.00 45.00 N ATOM 0 H ARG A 19 12.702 -21.750 18.470 1.00 44.43 H new ATOM 0 HA ARG A 19 10.130 -23.103 18.081 1.00 12.34 H new ATOM 0 HB2 ARG A 19 11.406 -22.878 20.296 1.00 21.13 H new ATOM 0 HB3 ARG A 19 11.098 -21.155 20.207 1.00 21.13 H new ATOM 0 HG2 ARG A 19 9.405 -22.032 21.616 1.00 74.22 H new ATOM 0 HG3 ARG A 19 8.613 -21.704 20.087 1.00 74.22 H new ATOM 0 HD2 ARG A 19 7.839 -23.852 20.709 1.00 2.13 H new ATOM 0 HD3 ARG A 19 9.047 -24.158 19.477 1.00 2.13 H new ATOM 0 HE ARG A 19 10.272 -24.195 22.091 1.00 34.34 H new ATOM 0 HH11 ARG A 19 8.189 -26.079 19.938 1.00 45.21 H new ATOM 0 HH12 ARG A 19 8.662 -27.625 20.651 1.00 45.21 H new ATOM 0 HH21 ARG A 19 10.844 -26.176 23.017 1.00 45.00 H new ATOM 0 HH22 ARG A 19 10.162 -27.680 22.390 1.00 45.00 H new ATOM 278 N TYR A 20 9.026 -21.208 16.933 1.00 74.35 N ATOM 279 CA TYR A 20 8.264 -20.108 16.359 1.00 40.55 C ATOM 280 C TYR A 20 7.020 -19.830 17.197 1.00 34.25 C ATOM 281 O TYR A 20 6.846 -20.400 18.276 1.00 72.21 O ATOM 282 CB TYR A 20 7.866 -20.430 14.916 1.00 12.44 C ATOM 283 CG TYR A 20 9.035 -20.493 13.958 1.00 42.23 C ATOM 284 CD1 TYR A 20 9.725 -21.679 13.747 1.00 24.23 C ATOM 285 CD2 TYR A 20 9.444 -19.364 13.262 1.00 1.23 C ATOM 286 CE1 TYR A 20 10.790 -21.737 12.870 1.00 54.01 C ATOM 287 CE2 TYR A 20 10.508 -19.414 12.384 1.00 52.11 C ATOM 288 CZ TYR A 20 11.178 -20.601 12.193 1.00 34.52 C ATOM 289 OH TYR A 20 12.237 -20.654 11.315 1.00 22.43 O ATOM 0 H TYR A 20 8.757 -22.133 16.597 1.00 74.35 H new ATOM 0 HA TYR A 20 8.892 -19.217 16.358 1.00 40.55 H new ATOM 0 HB2 TYR A 20 7.342 -21.386 14.898 1.00 12.44 H new ATOM 0 HB3 TYR A 20 7.162 -19.675 14.566 1.00 12.44 H new ATOM 0 HD1 TYR A 20 9.424 -22.570 14.277 1.00 24.23 H new ATOM 0 HD2 TYR A 20 8.921 -18.431 13.410 1.00 1.23 H new ATOM 0 HE1 TYR A 20 11.316 -22.667 12.715 1.00 54.01 H new ATOM 0 HE2 TYR A 20 10.813 -18.526 11.850 1.00 52.11 H new ATOM 0 HH TYR A 20 12.380 -19.768 10.921 1.00 22.43 H new ATOM 299 N ARG A 21 6.149 -18.971 16.692 1.00 4.04 N ATOM 300 CA ARG A 21 4.925 -18.629 17.397 1.00 43.13 C ATOM 301 C ARG A 21 3.709 -19.211 16.688 1.00 4.10 C ATOM 302 O ARG A 21 3.272 -20.320 16.997 1.00 52.41 O ATOM 303 CB ARG A 21 4.769 -17.113 17.524 1.00 74.30 C ATOM 304 CG ARG A 21 5.689 -16.470 18.544 1.00 52.33 C ATOM 305 CD ARG A 21 5.484 -14.968 18.578 1.00 1.31 C ATOM 306 NE ARG A 21 6.148 -14.350 19.720 1.00 72.30 N ATOM 307 CZ ARG A 21 6.231 -13.038 19.912 1.00 63.53 C ATOM 308 NH1 ARG A 21 5.749 -12.195 19.005 1.00 42.32 N1+ ATOM 309 NH2 ARG A 21 6.807 -12.576 21.013 1.00 24.04 N ATOM 0 H ARG A 21 6.267 -18.498 15.796 1.00 4.04 H new ATOM 0 HA ARG A 21 4.992 -19.060 18.396 1.00 43.13 H new ATOM 0 HB2 ARG A 21 4.953 -16.659 16.550 1.00 74.30 H new ATOM 0 HB3 ARG A 21 3.737 -16.888 17.791 1.00 74.30 H new ATOM 0 HG2 ARG A 21 5.497 -16.891 19.531 1.00 52.33 H new ATOM 0 HG3 ARG A 21 6.727 -16.695 18.298 1.00 52.33 H new ATOM 0 HD2 ARG A 21 5.866 -14.529 17.656 1.00 1.31 H new ATOM 0 HD3 ARG A 21 4.417 -14.749 18.617 1.00 1.31 H new ATOM 0 HE ARG A 21 6.575 -14.963 20.414 1.00 72.30 H new ATOM 0 HH11 ARG A 21 5.312 -12.554 18.156 1.00 42.32 H new ATOM 0 HH12 ARG A 21 5.816 -11.189 19.158 1.00 42.32 H new ATOM 0 HH21 ARG A 21 7.182 -13.226 21.704 1.00 24.04 H new ATOM 0 HH22 ARG A 21 6.875 -11.570 21.169 1.00 24.04 H new ATOM 323 N GLY A 22 3.190 -18.469 15.718 1.00 11.55 N ATOM 324 CA GLY A 22 1.990 -18.883 15.016 1.00 50.05 C ATOM 325 C GLY A 22 2.287 -19.760 13.818 1.00 71.12 C ATOM 326 O GLY A 22 1.765 -19.531 12.729 1.00 54.54 O ATOM 0 H GLY A 22 3.582 -17.582 15.403 1.00 11.55 H new ATOM 0 HA2 GLY A 22 1.340 -19.423 15.704 1.00 50.05 H new ATOM 0 HA3 GLY A 22 1.443 -17.999 14.687 1.00 50.05 H new ATOM 330 N LEU A 23 3.127 -20.764 14.021 1.00 51.01 N ATOM 331 CA LEU A 23 3.482 -21.702 12.966 1.00 52.44 C ATOM 332 C LEU A 23 3.508 -23.118 13.514 1.00 5.12 C ATOM 333 O LEU A 23 4.057 -23.361 14.590 1.00 0.51 O ATOM 334 CB LEU A 23 4.852 -21.360 12.367 1.00 44.13 C ATOM 335 CG LEU A 23 4.917 -20.066 11.552 1.00 45.22 C ATOM 336 CD1 LEU A 23 6.352 -19.766 11.149 1.00 34.31 C ATOM 337 CD2 LEU A 23 4.030 -20.164 10.318 1.00 3.33 C ATOM 0 H LEU A 23 3.579 -20.951 14.916 1.00 51.01 H new ATOM 0 HA LEU A 23 2.729 -21.628 12.181 1.00 52.44 H new ATOM 0 HB2 LEU A 23 5.576 -21.293 13.179 1.00 44.13 H new ATOM 0 HB3 LEU A 23 5.165 -22.186 11.728 1.00 44.13 H new ATOM 0 HG LEU A 23 4.551 -19.249 12.174 1.00 45.22 H new ATOM 0 HD11 LEU A 23 6.382 -18.843 10.570 1.00 34.31 H new ATOM 0 HD12 LEU A 23 6.965 -19.654 12.043 1.00 34.31 H new ATOM 0 HD13 LEU A 23 6.739 -20.586 10.544 1.00 34.31 H new ATOM 0 HD21 LEU A 23 4.090 -19.234 9.752 1.00 3.33 H new ATOM 0 HD22 LEU A 23 4.366 -20.992 9.693 1.00 3.33 H new ATOM 0 HD23 LEU A 23 2.998 -20.336 10.624 1.00 3.33 H new ATOM 349 N THR A 24 2.891 -24.038 12.790 1.00 45.31 N ATOM 350 CA THR A 24 2.941 -25.445 13.144 1.00 75.32 C ATOM 351 C THR A 24 4.051 -26.139 12.350 1.00 64.12 C ATOM 352 O THR A 24 4.735 -25.503 11.538 1.00 23.12 O ATOM 353 CB THR A 24 1.580 -26.144 12.891 1.00 73.21 C ATOM 354 OG1 THR A 24 1.602 -27.482 13.410 1.00 0.00 O ATOM 355 CG2 THR A 24 1.247 -26.182 11.406 1.00 12.52 C ATOM 0 H THR A 24 2.348 -23.833 11.951 1.00 45.31 H new ATOM 0 HA THR A 24 3.156 -25.520 14.210 1.00 75.32 H new ATOM 0 HB THR A 24 0.811 -25.567 13.405 1.00 73.21 H new ATOM 0 HG1 THR A 24 0.736 -27.911 13.245 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.287 -26.678 11.261 1.00 12.52 H new ATOM 0 HG22 THR A 24 1.192 -25.164 11.019 1.00 12.52 H new ATOM 0 HG23 THR A 24 2.023 -26.731 10.873 1.00 12.52 H new ATOM 363 N ARG A 25 4.222 -27.434 12.577 1.00 3.14 N ATOM 364 CA ARG A 25 5.278 -28.194 11.927 1.00 73.32 C ATOM 365 C ARG A 25 4.884 -28.566 10.500 1.00 50.00 C ATOM 366 O ARG A 25 3.872 -28.082 9.989 1.00 5.42 O ATOM 367 CB ARG A 25 5.605 -29.437 12.749 1.00 33.05 C ATOM 368 CG ARG A 25 6.278 -29.110 14.071 1.00 24.32 C ATOM 369 CD ARG A 25 6.401 -30.332 14.958 1.00 10.33 C ATOM 370 NE ARG A 25 5.094 -30.844 15.369 1.00 33.14 N ATOM 371 CZ ARG A 25 4.549 -30.612 16.563 1.00 2.41 C ATOM 372 NH1 ARG A 25 5.169 -29.826 17.436 1.00 13.30 N1+ ATOM 373 NH2 ARG A 25 3.377 -31.146 16.880 1.00 62.54 N ATOM 0 H ARG A 25 3.639 -27.982 13.210 1.00 3.14 H new ATOM 0 HA ARG A 25 6.171 -27.572 11.868 1.00 73.32 H new ATOM 0 HB2 ARG A 25 4.686 -29.991 12.942 1.00 33.05 H new ATOM 0 HB3 ARG A 25 6.255 -30.090 12.168 1.00 33.05 H new ATOM 0 HG2 ARG A 25 7.269 -28.697 13.882 1.00 24.32 H new ATOM 0 HG3 ARG A 25 5.706 -28.341 14.590 1.00 24.32 H new ATOM 0 HD2 ARG A 25 6.945 -31.113 14.427 1.00 10.33 H new ATOM 0 HD3 ARG A 25 6.986 -30.081 15.842 1.00 10.33 H new ATOM 0 HE ARG A 25 4.569 -31.411 14.703 1.00 33.14 H new ATOM 0 HH11 ARG A 25 6.063 -29.399 17.193 1.00 13.30 H new ATOM 0 HH12 ARG A 25 4.751 -29.649 18.349 1.00 13.30 H new ATOM 0 HH21 ARG A 25 2.888 -31.738 16.208 1.00 62.54 H new ATOM 0 HH22 ARG A 25 2.965 -30.965 17.795 1.00 62.54 H new ATOM 387 N ASP A 26 5.697 -29.417 9.861 1.00 11.55 N ATOM 388 CA ASP A 26 5.579 -29.726 8.421 1.00 13.41 C ATOM 389 C ASP A 26 5.955 -28.509 7.567 1.00 2.54 C ATOM 390 O ASP A 26 6.400 -28.638 6.425 1.00 54.04 O ATOM 391 CB ASP A 26 4.173 -30.222 8.060 1.00 51.21 C ATOM 392 CG ASP A 26 4.038 -30.552 6.586 1.00 14.41 C ATOM 393 OD1 ASP A 26 4.642 -31.550 6.139 1.00 15.50 O ATOM 394 OD2 ASP A 26 3.323 -29.820 5.870 1.00 15.44 O1- ATOM 0 H ASP A 26 6.458 -29.914 10.324 1.00 11.55 H new ATOM 0 HA ASP A 26 6.281 -30.532 8.205 1.00 13.41 H new ATOM 0 HB2 ASP A 26 3.940 -31.108 8.651 1.00 51.21 H new ATOM 0 HB3 ASP A 26 3.442 -29.459 8.327 1.00 51.21 H new ATOM 399 N GLN A 27 5.770 -27.330 8.136 1.00 2.23 N ATOM 400 CA GLN A 27 6.165 -26.080 7.516 1.00 4.51 C ATOM 401 C GLN A 27 7.591 -25.724 7.921 1.00 2.23 C ATOM 402 O GLN A 27 8.427 -26.611 8.087 1.00 21.25 O ATOM 403 CB GLN A 27 5.207 -24.977 7.956 1.00 41.02 C ATOM 404 CG GLN A 27 3.770 -25.213 7.529 1.00 12.33 C ATOM 405 CD GLN A 27 2.800 -24.246 8.175 1.00 33.35 C ATOM 406 OE1 GLN A 27 1.798 -23.860 7.573 1.00 70.15 O ATOM 407 NE2 GLN A 27 3.067 -23.863 9.415 1.00 42.30 N ATOM 0 H GLN A 27 5.336 -27.214 9.052 1.00 2.23 H new ATOM 0 HA GLN A 27 6.126 -26.184 6.432 1.00 4.51 H new ATOM 0 HB2 GLN A 27 5.244 -24.887 9.042 1.00 41.02 H new ATOM 0 HB3 GLN A 27 5.548 -24.027 7.545 1.00 41.02 H new ATOM 0 HG2 GLN A 27 3.698 -25.123 6.445 1.00 12.33 H new ATOM 0 HG3 GLN A 27 3.483 -26.233 7.784 1.00 12.33 H new ATOM 0 HE21 GLN A 27 3.907 -24.203 9.884 1.00 42.30 H new ATOM 0 HE22 GLN A 27 2.433 -23.229 9.901 1.00 42.30 H new ATOM 416 N VAL A 28 7.847 -24.417 8.055 1.00 40.51 N ATOM 417 CA VAL A 28 9.139 -23.860 8.493 1.00 21.23 C ATOM 418 C VAL A 28 10.316 -24.357 7.646 1.00 20.45 C ATOM 419 O VAL A 28 11.471 -24.262 8.054 1.00 35.23 O ATOM 420 CB VAL A 28 9.422 -24.079 10.011 1.00 75.00 C ATOM 421 CG1 VAL A 28 8.219 -23.664 10.841 1.00 3.34 C ATOM 422 CG2 VAL A 28 9.840 -25.510 10.338 1.00 12.44 C ATOM 0 H VAL A 28 7.149 -23.700 7.859 1.00 40.51 H new ATOM 0 HA VAL A 28 9.047 -22.785 8.335 1.00 21.23 H new ATOM 0 HB VAL A 28 10.270 -23.444 10.269 1.00 75.00 H new ATOM 0 HG11 VAL A 28 8.434 -23.823 11.898 1.00 3.34 H new ATOM 0 HG12 VAL A 28 8.005 -22.609 10.669 1.00 3.34 H new ATOM 0 HG13 VAL A 28 7.354 -24.261 10.552 1.00 3.34 H new ATOM 0 HG21 VAL A 28 10.023 -25.600 11.409 1.00 12.44 H new ATOM 0 HG22 VAL A 28 9.045 -26.197 10.047 1.00 12.44 H new ATOM 0 HG23 VAL A 28 10.751 -25.757 9.792 1.00 12.44 H new ATOM 432 N LYS A 29 10.016 -24.849 6.449 1.00 1.44 N ATOM 433 CA LYS A 29 11.055 -25.254 5.515 1.00 53.22 C ATOM 434 C LYS A 29 11.247 -24.176 4.457 1.00 71.12 C ATOM 435 O LYS A 29 12.214 -23.416 4.495 1.00 33.02 O ATOM 436 CB LYS A 29 10.704 -26.592 4.858 1.00 54.41 C ATOM 437 CG LYS A 29 10.570 -27.741 5.847 1.00 70.52 C ATOM 438 CD LYS A 29 10.147 -29.032 5.163 1.00 33.02 C ATOM 439 CE LYS A 29 8.812 -28.872 4.457 1.00 11.13 C ATOM 440 NZ LYS A 29 8.335 -30.145 3.854 1.00 21.55 N1+ ATOM 0 H LYS A 29 9.064 -24.976 6.105 1.00 1.44 H new ATOM 0 HA LYS A 29 11.987 -25.383 6.065 1.00 53.22 H new ATOM 0 HB2 LYS A 29 9.767 -26.484 4.311 1.00 54.41 H new ATOM 0 HB3 LYS A 29 11.473 -26.841 4.127 1.00 54.41 H new ATOM 0 HG2 LYS A 29 11.522 -27.895 6.356 1.00 70.52 H new ATOM 0 HG3 LYS A 29 9.839 -27.479 6.611 1.00 70.52 H new ATOM 0 HD2 LYS A 29 10.908 -29.330 4.442 1.00 33.02 H new ATOM 0 HD3 LYS A 29 10.077 -29.831 5.901 1.00 33.02 H new ATOM 0 HE2 LYS A 29 8.069 -28.509 5.167 1.00 11.13 H new ATOM 0 HE3 LYS A 29 8.904 -28.116 3.677 1.00 11.13 H new ATOM 0 HZ1 LYS A 29 7.421 -29.985 3.384 1.00 21.55 H new ATOM 0 HZ2 LYS A 29 9.029 -30.480 3.156 1.00 21.55 H new ATOM 0 HZ3 LYS A 29 8.220 -30.861 4.600 1.00 21.55 H new ATOM 454 N ALA A 30 10.309 -24.096 3.524 1.00 52.32 N ATOM 455 CA ALA A 30 10.367 -23.084 2.483 1.00 14.13 C ATOM 456 C ALA A 30 9.446 -21.912 2.800 1.00 61.32 C ATOM 457 O ALA A 30 8.260 -21.910 2.449 1.00 75.11 O ATOM 458 CB ALA A 30 10.033 -23.685 1.129 1.00 4.23 C ATOM 0 H ALA A 30 9.502 -24.718 3.468 1.00 52.32 H new ATOM 0 HA ALA A 30 11.387 -22.702 2.444 1.00 14.13 H new ATOM 0 HB1 ALA A 30 10.082 -22.910 0.365 1.00 4.23 H new ATOM 0 HB2 ALA A 30 10.749 -24.473 0.894 1.00 4.23 H new ATOM 0 HB3 ALA A 30 9.027 -24.105 1.155 1.00 4.23 H new ATOM 464 N ILE A 31 9.995 -20.938 3.505 1.00 25.12 N ATOM 465 CA ILE A 31 9.289 -19.704 3.808 1.00 40.14 C ATOM 466 C ILE A 31 10.137 -18.531 3.339 1.00 74.23 C ATOM 467 O ILE A 31 11.363 -18.549 3.495 1.00 4.24 O ATOM 468 CB ILE A 31 8.998 -19.565 5.322 1.00 34.44 C ATOM 469 CG1 ILE A 31 8.169 -20.754 5.821 1.00 11.21 C ATOM 470 CG2 ILE A 31 8.281 -18.255 5.622 1.00 41.23 C ATOM 471 CD1 ILE A 31 7.876 -20.708 7.306 1.00 3.32 C ATOM 0 H ILE A 31 10.941 -20.980 3.883 1.00 25.12 H new ATOM 0 HA ILE A 31 8.330 -19.717 3.290 1.00 40.14 H new ATOM 0 HB ILE A 31 9.952 -19.559 5.850 1.00 34.44 H new ATOM 0 HG12 ILE A 31 7.227 -20.784 5.274 1.00 11.21 H new ATOM 0 HG13 ILE A 31 8.700 -21.678 5.592 1.00 11.21 H new ATOM 0 HG21 ILE A 31 8.088 -18.182 6.692 1.00 41.23 H new ATOM 0 HG22 ILE A 31 8.905 -17.418 5.308 1.00 41.23 H new ATOM 0 HG23 ILE A 31 7.335 -18.225 5.080 1.00 41.23 H new ATOM 0 HD11 ILE A 31 7.286 -21.580 7.588 1.00 3.32 H new ATOM 0 HD12 ILE A 31 8.814 -20.709 7.862 1.00 3.32 H new ATOM 0 HD13 ILE A 31 7.317 -19.802 7.539 1.00 3.32 H new ATOM 483 N ASN A 32 9.499 -17.533 2.748 1.00 72.34 N ATOM 484 CA ASN A 32 10.219 -16.386 2.213 1.00 15.12 C ATOM 485 C ASN A 32 10.698 -15.476 3.334 1.00 73.04 C ATOM 486 O ASN A 32 11.894 -15.400 3.612 1.00 13.03 O ATOM 487 CB ASN A 32 9.341 -15.592 1.240 1.00 71.30 C ATOM 488 CG ASN A 32 9.152 -16.290 -0.094 1.00 3.15 C ATOM 489 OD1 ASN A 32 9.924 -16.081 -1.031 1.00 51.12 O ATOM 490 ND2 ASN A 32 8.126 -17.119 -0.192 1.00 22.03 N ATOM 0 H ASN A 32 8.487 -17.493 2.626 1.00 72.34 H new ATOM 0 HA ASN A 32 11.086 -16.765 1.672 1.00 15.12 H new ATOM 0 HB2 ASN A 32 8.366 -15.422 1.696 1.00 71.30 H new ATOM 0 HB3 ASN A 32 9.789 -14.613 1.071 1.00 71.30 H new ATOM 0 HD21 ASN A 32 7.951 -17.613 -1.067 1.00 22.03 H new ATOM 0 HD22 ASN A 32 7.510 -17.265 0.608 1.00 22.03 H new ATOM 497 N PHE A 33 9.761 -14.797 3.982 1.00 4.32 N ATOM 498 CA PHE A 33 10.100 -13.847 5.030 1.00 60.13 C ATOM 499 C PHE A 33 9.098 -13.907 6.177 1.00 71.25 C ATOM 500 O PHE A 33 7.890 -14.035 5.960 1.00 43.02 O ATOM 501 CB PHE A 33 10.150 -12.416 4.476 1.00 25.12 C ATOM 502 CG PHE A 33 11.263 -12.173 3.491 1.00 51.52 C ATOM 503 CD1 PHE A 33 11.010 -12.142 2.126 1.00 50.10 C ATOM 504 CD2 PHE A 33 12.563 -11.984 3.931 1.00 1.10 C ATOM 505 CE1 PHE A 33 12.033 -11.922 1.223 1.00 3.21 C ATOM 506 CE2 PHE A 33 13.589 -11.763 3.032 1.00 62.54 C ATOM 507 CZ PHE A 33 13.324 -11.734 1.676 1.00 65.33 C ATOM 0 H PHE A 33 8.761 -14.887 3.800 1.00 4.32 H new ATOM 0 HA PHE A 33 11.085 -14.122 5.407 1.00 60.13 H new ATOM 0 HB2 PHE A 33 9.198 -12.192 3.994 1.00 25.12 H new ATOM 0 HB3 PHE A 33 10.258 -11.720 5.308 1.00 25.12 H new ATOM 0 HD1 PHE A 33 10.003 -12.291 1.766 1.00 50.10 H new ATOM 0 HD2 PHE A 33 12.777 -12.010 4.989 1.00 1.10 H new ATOM 0 HE1 PHE A 33 11.823 -11.897 0.164 1.00 3.21 H new ATOM 0 HE2 PHE A 33 14.597 -11.613 3.389 1.00 62.54 H new ATOM 0 HZ PHE A 33 14.125 -11.565 0.972 1.00 65.33 H new ATOM 517 N LEU A 34 9.612 -13.821 7.391 1.00 45.21 N ATOM 518 CA LEU A 34 8.779 -13.711 8.578 1.00 44.33 C ATOM 519 C LEU A 34 8.292 -12.271 8.714 1.00 61.32 C ATOM 520 O LEU A 34 9.002 -11.344 8.323 1.00 5.11 O ATOM 521 CB LEU A 34 9.566 -14.113 9.837 1.00 2.10 C ATOM 522 CG LEU A 34 9.863 -15.611 10.018 1.00 42.44 C ATOM 523 CD1 LEU A 34 8.584 -16.427 9.967 1.00 10.42 C ATOM 524 CD2 LEU A 34 10.863 -16.113 8.984 1.00 73.11 C ATOM 0 H LEU A 34 10.614 -13.825 7.583 1.00 45.21 H new ATOM 0 HA LEU A 34 7.928 -14.385 8.476 1.00 44.33 H new ATOM 0 HB2 LEU A 34 10.515 -13.577 9.831 1.00 2.10 H new ATOM 0 HB3 LEU A 34 9.011 -13.769 10.710 1.00 2.10 H new ATOM 0 HG LEU A 34 10.313 -15.738 11.003 1.00 42.44 H new ATOM 0 HD11 LEU A 34 8.821 -17.483 10.097 1.00 10.42 H new ATOM 0 HD12 LEU A 34 7.914 -16.104 10.764 1.00 10.42 H new ATOM 0 HD13 LEU A 34 8.097 -16.281 9.003 1.00 10.42 H new ATOM 0 HD21 LEU A 34 11.048 -17.175 9.143 1.00 73.11 H new ATOM 0 HD22 LEU A 34 10.459 -15.961 7.983 1.00 73.11 H new ATOM 0 HD23 LEU A 34 11.798 -15.562 9.085 1.00 73.11 H new ATOM 536 N PRO A 35 7.077 -12.062 9.245 1.00 32.22 N ATOM 537 CA PRO A 35 6.517 -10.717 9.441 1.00 5.03 C ATOM 538 C PRO A 35 7.362 -9.871 10.394 1.00 10.23 C ATOM 539 O PRO A 35 8.039 -10.407 11.276 1.00 63.24 O ATOM 540 CB PRO A 35 5.132 -10.983 10.046 1.00 22.10 C ATOM 541 CG PRO A 35 5.206 -12.368 10.590 1.00 24.21 C ATOM 542 CD PRO A 35 6.147 -13.113 9.690 1.00 34.40 C ATOM 0 HA PRO A 35 6.484 -10.153 8.509 1.00 5.03 H new ATOM 0 HB2 PRO A 35 4.900 -10.263 10.831 1.00 22.10 H new ATOM 0 HB3 PRO A 35 4.349 -10.897 9.292 1.00 22.10 H new ATOM 0 HG2 PRO A 35 5.569 -12.365 11.618 1.00 24.21 H new ATOM 0 HG3 PRO A 35 4.222 -12.837 10.600 1.00 24.21 H new ATOM 0 HD2 PRO A 35 6.665 -13.913 10.220 1.00 34.40 H new ATOM 0 HD3 PRO A 35 5.625 -13.572 8.851 1.00 34.40 H new ATOM 550 N VAL A 36 7.328 -8.553 10.204 1.00 60.55 N ATOM 551 CA VAL A 36 8.069 -7.643 11.067 1.00 53.33 C ATOM 552 C VAL A 36 7.578 -7.769 12.510 1.00 1.10 C ATOM 553 O VAL A 36 6.374 -7.887 12.759 1.00 72.31 O ATOM 554 CB VAL A 36 7.968 -6.175 10.579 1.00 4.21 C ATOM 555 CG1 VAL A 36 6.530 -5.679 10.604 1.00 64.12 C ATOM 556 CG2 VAL A 36 8.865 -5.266 11.406 1.00 25.11 C ATOM 0 H VAL A 36 6.797 -8.096 9.463 1.00 60.55 H new ATOM 0 HA VAL A 36 9.121 -7.925 11.024 1.00 53.33 H new ATOM 0 HB VAL A 36 8.311 -6.147 9.545 1.00 4.21 H new ATOM 0 HG11 VAL A 36 6.495 -4.647 10.256 1.00 64.12 H new ATOM 0 HG12 VAL A 36 5.919 -6.303 9.952 1.00 64.12 H new ATOM 0 HG13 VAL A 36 6.145 -5.732 11.622 1.00 64.12 H new ATOM 0 HG21 VAL A 36 8.777 -4.241 11.045 1.00 25.11 H new ATOM 0 HG22 VAL A 36 8.562 -5.309 12.452 1.00 25.11 H new ATOM 0 HG23 VAL A 36 9.900 -5.595 11.315 1.00 25.11 H new ATOM 566 N ASP A 37 8.527 -7.764 13.441 1.00 75.53 N ATOM 567 CA ASP A 37 8.265 -8.033 14.854 1.00 0.24 C ATOM 568 C ASP A 37 7.718 -9.443 15.034 1.00 61.43 C ATOM 569 O ASP A 37 6.515 -9.657 15.207 1.00 74.15 O ATOM 570 CB ASP A 37 7.318 -7.006 15.485 1.00 1.03 C ATOM 571 CG ASP A 37 7.245 -7.152 16.997 1.00 73.54 C ATOM 572 OD1 ASP A 37 6.384 -7.904 17.493 1.00 11.24 O ATOM 573 OD2 ASP A 37 8.056 -6.510 17.697 1.00 24.30 O1- ATOM 0 H ASP A 37 9.508 -7.572 13.236 1.00 75.53 H new ATOM 0 HA ASP A 37 9.218 -7.947 15.376 1.00 0.24 H new ATOM 0 HB2 ASP A 37 7.655 -6.000 15.234 1.00 1.03 H new ATOM 0 HB3 ASP A 37 6.321 -7.124 15.061 1.00 1.03 H new ATOM 578 N TYR A 38 8.618 -10.401 14.933 1.00 64.13 N ATOM 579 CA TYR A 38 8.305 -11.798 15.168 1.00 64.04 C ATOM 580 C TYR A 38 9.388 -12.362 16.067 1.00 13.41 C ATOM 581 O TYR A 38 10.568 -12.241 15.753 1.00 72.14 O ATOM 582 CB TYR A 38 8.248 -12.566 13.840 1.00 31.23 C ATOM 583 CG TYR A 38 7.635 -13.944 13.945 1.00 53.15 C ATOM 584 CD1 TYR A 38 8.409 -15.052 14.262 1.00 63.21 C ATOM 585 CD2 TYR A 38 6.279 -14.136 13.714 1.00 42.20 C ATOM 586 CE1 TYR A 38 7.850 -16.312 14.347 1.00 51.34 C ATOM 587 CE2 TYR A 38 5.712 -15.392 13.798 1.00 74.11 C ATOM 588 CZ TYR A 38 6.502 -16.477 14.115 1.00 52.12 C ATOM 589 OH TYR A 38 5.940 -17.733 14.198 1.00 52.04 O ATOM 0 H TYR A 38 9.593 -10.232 14.684 1.00 64.13 H new ATOM 0 HA TYR A 38 7.329 -11.897 15.643 1.00 64.04 H new ATOM 0 HB2 TYR A 38 7.677 -11.981 13.119 1.00 31.23 H new ATOM 0 HB3 TYR A 38 9.259 -12.660 13.444 1.00 31.23 H new ATOM 0 HD1 TYR A 38 9.466 -14.927 14.445 1.00 63.21 H new ATOM 0 HD2 TYR A 38 5.658 -13.289 13.464 1.00 42.20 H new ATOM 0 HE1 TYR A 38 8.466 -17.164 14.594 1.00 51.34 H new ATOM 0 HE2 TYR A 38 4.656 -15.524 13.616 1.00 74.11 H new ATOM 0 HH TYR A 38 5.053 -17.723 13.781 1.00 52.04 H new ATOM 599 N GLU A 39 9.005 -12.937 17.192 1.00 24.42 N ATOM 600 CA GLU A 39 9.985 -13.359 18.177 1.00 12.31 C ATOM 601 C GLU A 39 10.045 -14.873 18.291 1.00 14.54 C ATOM 602 O GLU A 39 9.032 -15.534 18.517 1.00 3.41 O ATOM 603 CB GLU A 39 9.688 -12.710 19.524 1.00 45.13 C ATOM 604 CG GLU A 39 9.758 -11.193 19.462 1.00 72.52 C ATOM 605 CD GLU A 39 9.325 -10.526 20.746 1.00 31.14 C ATOM 606 OE1 GLU A 39 8.136 -10.158 20.855 1.00 5.53 O ATOM 607 OE2 GLU A 39 10.168 -10.339 21.635 1.00 51.15 O1- ATOM 0 H GLU A 39 8.034 -13.121 17.445 1.00 24.42 H new ATOM 0 HA GLU A 39 10.969 -13.027 17.845 1.00 12.31 H new ATOM 0 HB2 GLU A 39 8.696 -13.012 19.859 1.00 45.13 H new ATOM 0 HB3 GLU A 39 10.400 -13.074 20.265 1.00 45.13 H new ATOM 0 HG2 GLU A 39 10.780 -10.892 19.230 1.00 72.52 H new ATOM 0 HG3 GLU A 39 9.128 -10.839 18.646 1.00 72.52 H new ATOM 614 N ILE A 40 11.248 -15.404 18.114 1.00 4.54 N ATOM 615 CA ILE A 40 11.479 -16.841 18.145 1.00 42.33 C ATOM 616 C ILE A 40 12.385 -17.224 19.309 1.00 75.11 C ATOM 617 O ILE A 40 13.026 -16.363 19.920 1.00 0.45 O ATOM 618 CB ILE A 40 12.129 -17.332 16.836 1.00 22.13 C ATOM 619 CG1 ILE A 40 13.444 -16.585 16.589 1.00 63.20 C ATOM 620 CG2 ILE A 40 11.173 -17.152 15.669 1.00 63.11 C ATOM 621 CD1 ILE A 40 14.190 -17.036 15.354 1.00 11.34 C ATOM 0 H ILE A 40 12.089 -14.852 17.945 1.00 4.54 H new ATOM 0 HA ILE A 40 10.505 -17.315 18.266 1.00 42.33 H new ATOM 0 HB ILE A 40 12.351 -18.395 16.928 1.00 22.13 H new ATOM 0 HG12 ILE A 40 13.233 -15.519 16.503 1.00 63.20 H new ATOM 0 HG13 ILE A 40 14.090 -16.713 17.457 1.00 63.20 H new ATOM 0 HG21 ILE A 40 11.647 -17.503 14.753 1.00 63.11 H new ATOM 0 HG22 ILE A 40 10.265 -17.726 15.851 1.00 63.11 H new ATOM 0 HG23 ILE A 40 10.920 -16.097 15.565 1.00 63.11 H new ATOM 0 HD11 ILE A 40 15.108 -16.458 15.252 1.00 11.34 H new ATOM 0 HD12 ILE A 40 14.435 -18.094 15.443 1.00 11.34 H new ATOM 0 HD13 ILE A 40 13.565 -16.882 14.475 1.00 11.34 H new ATOM 633 N GLU A 41 12.450 -18.516 19.589 1.00 61.12 N ATOM 634 CA GLU A 41 13.272 -19.034 20.673 1.00 13.03 C ATOM 635 C GLU A 41 14.234 -20.105 20.153 1.00 60.15 C ATOM 636 O GLU A 41 13.906 -20.847 19.228 1.00 54.15 O ATOM 637 CB GLU A 41 12.370 -19.608 21.772 1.00 74.33 C ATOM 638 CG GLU A 41 13.124 -20.227 22.934 1.00 15.40 C ATOM 639 CD GLU A 41 12.198 -20.776 23.998 1.00 2.52 C ATOM 640 OE1 GLU A 41 12.091 -20.153 25.076 1.00 21.53 O ATOM 641 OE2 GLU A 41 11.578 -21.833 23.765 1.00 65.45 O1- ATOM 0 H GLU A 41 11.938 -19.233 19.075 1.00 61.12 H new ATOM 0 HA GLU A 41 13.866 -18.220 21.089 1.00 13.03 H new ATOM 0 HB2 GLU A 41 11.728 -18.813 22.152 1.00 74.33 H new ATOM 0 HB3 GLU A 41 11.717 -20.363 21.334 1.00 74.33 H new ATOM 0 HG2 GLU A 41 13.762 -21.029 22.563 1.00 15.40 H new ATOM 0 HG3 GLU A 41 13.779 -19.478 23.378 1.00 15.40 H new ATOM 648 N TYR A 42 15.421 -20.167 20.744 1.00 75.13 N ATOM 649 CA TYR A 42 16.424 -21.163 20.382 1.00 70.02 C ATOM 650 C TYR A 42 16.386 -22.341 21.344 1.00 70.13 C ATOM 651 O TYR A 42 16.842 -22.236 22.481 1.00 31.24 O ATOM 652 CB TYR A 42 17.825 -20.549 20.371 1.00 71.13 C ATOM 653 CG TYR A 42 18.186 -19.861 19.077 1.00 14.45 C ATOM 654 CD1 TYR A 42 18.951 -20.514 18.117 1.00 42.45 C ATOM 655 CD2 TYR A 42 17.770 -18.563 18.814 1.00 74.53 C ATOM 656 CE1 TYR A 42 19.292 -19.891 16.934 1.00 52.40 C ATOM 657 CE2 TYR A 42 18.105 -17.935 17.631 1.00 60.14 C ATOM 658 CZ TYR A 42 18.866 -18.605 16.695 1.00 71.20 C ATOM 659 OH TYR A 42 19.206 -17.982 15.516 1.00 33.12 O ATOM 0 H TYR A 42 15.716 -19.531 21.485 1.00 75.13 H new ATOM 0 HA TYR A 42 16.190 -21.519 19.379 1.00 70.02 H new ATOM 0 HB2 TYR A 42 17.901 -19.829 21.186 1.00 71.13 H new ATOM 0 HB3 TYR A 42 18.555 -21.333 20.569 1.00 71.13 H new ATOM 0 HD1 TYR A 42 19.284 -21.525 18.300 1.00 42.45 H new ATOM 0 HD2 TYR A 42 17.175 -18.036 19.546 1.00 74.53 H new ATOM 0 HE1 TYR A 42 19.890 -20.410 16.200 1.00 52.40 H new ATOM 0 HE2 TYR A 42 17.773 -16.925 17.439 1.00 60.14 H new ATOM 0 HH TYR A 42 19.747 -18.589 14.969 1.00 33.12 H new ATOM 669 N VAL A 43 15.802 -23.444 20.907 1.00 14.33 N ATOM 670 CA VAL A 43 15.720 -24.636 21.739 1.00 13.01 C ATOM 671 C VAL A 43 16.832 -25.622 21.395 1.00 43.53 C ATOM 672 O VAL A 43 17.388 -25.589 20.294 1.00 23.35 O ATOM 673 CB VAL A 43 14.352 -25.338 21.607 1.00 2.42 C ATOM 674 CG1 VAL A 43 13.241 -24.424 22.096 1.00 12.10 C ATOM 675 CG2 VAL A 43 14.095 -25.774 20.172 1.00 10.23 C ATOM 0 H VAL A 43 15.378 -23.541 19.984 1.00 14.33 H new ATOM 0 HA VAL A 43 15.838 -24.306 22.771 1.00 13.01 H new ATOM 0 HB VAL A 43 14.368 -26.233 22.230 1.00 2.42 H new ATOM 0 HG11 VAL A 43 12.282 -24.932 21.997 1.00 12.10 H new ATOM 0 HG12 VAL A 43 13.412 -24.172 23.143 1.00 12.10 H new ATOM 0 HG13 VAL A 43 13.231 -23.512 21.500 1.00 12.10 H new ATOM 0 HG21 VAL A 43 13.124 -26.266 20.109 1.00 10.23 H new ATOM 0 HG22 VAL A 43 14.102 -24.901 19.520 1.00 10.23 H new ATOM 0 HG23 VAL A 43 14.874 -26.468 19.858 1.00 10.23 H new ATOM 685 N CYS A 44 17.152 -26.491 22.342 1.00 44.41 N ATOM 686 CA CYS A 44 18.179 -27.504 22.146 1.00 33.42 C ATOM 687 C CYS A 44 17.556 -28.752 21.573 1.00 23.24 C ATOM 688 O CYS A 44 16.350 -28.976 21.696 1.00 51.42 O ATOM 689 CB CYS A 44 18.904 -27.794 23.468 1.00 2.24 C ATOM 690 SG CYS A 44 20.325 -28.935 23.332 1.00 3.51 S ATOM 0 H CYS A 44 16.711 -26.515 23.261 1.00 44.41 H new ATOM 0 HA CYS A 44 18.922 -27.136 21.438 1.00 33.42 H new ATOM 0 HB2 CYS A 44 19.253 -26.851 23.889 1.00 2.24 H new ATOM 0 HB3 CYS A 44 18.187 -28.212 24.175 1.00 2.24 H new ATOM 695 N ARG A 45 18.394 -29.552 20.948 1.00 62.05 N ATOM 696 CA ARG A 45 17.952 -30.678 20.159 1.00 5.01 C ATOM 697 C ARG A 45 17.120 -31.660 20.984 1.00 54.03 C ATOM 698 O ARG A 45 17.583 -32.206 21.986 1.00 24.32 O ATOM 699 CB ARG A 45 19.169 -31.373 19.568 1.00 71.44 C ATOM 700 CG ARG A 45 18.813 -32.636 18.847 1.00 42.32 C ATOM 701 CD ARG A 45 20.044 -33.455 18.505 1.00 12.32 C ATOM 702 NE ARG A 45 19.690 -34.729 17.894 1.00 32.41 N ATOM 703 CZ ARG A 45 20.231 -35.892 18.236 1.00 70.05 C ATOM 704 NH1 ARG A 45 21.207 -35.938 19.139 1.00 54.35 N1+ ATOM 705 NH2 ARG A 45 19.806 -37.003 17.655 1.00 35.41 N ATOM 0 H ARG A 45 19.407 -29.437 20.974 1.00 62.05 H new ATOM 0 HA ARG A 45 17.308 -30.312 19.360 1.00 5.01 H new ATOM 0 HB2 ARG A 45 19.672 -30.695 18.879 1.00 71.44 H new ATOM 0 HB3 ARG A 45 19.877 -31.600 20.365 1.00 71.44 H new ATOM 0 HG2 ARG A 45 18.141 -33.231 19.466 1.00 42.32 H new ATOM 0 HG3 ARG A 45 18.273 -32.393 17.932 1.00 42.32 H new ATOM 0 HD2 ARG A 45 20.680 -32.889 17.824 1.00 12.32 H new ATOM 0 HD3 ARG A 45 20.625 -33.634 19.410 1.00 12.32 H new ATOM 0 HE ARG A 45 18.983 -34.727 17.158 1.00 32.41 H new ATOM 0 HH11 ARG A 45 21.543 -35.077 19.572 1.00 54.35 H new ATOM 0 HH12 ARG A 45 21.620 -36.834 19.399 1.00 54.35 H new ATOM 0 HH21 ARG A 45 19.069 -36.961 16.951 1.00 35.41 H new ATOM 0 HH22 ARG A 45 20.216 -37.901 17.911 1.00 35.41 H new ATOM 719 N GLY A 46 15.888 -31.878 20.540 1.00 62.21 N ATOM 720 CA GLY A 46 14.964 -32.721 21.267 1.00 35.13 C ATOM 721 C GLY A 46 14.100 -31.898 22.195 1.00 50.42 C ATOM 722 O GLY A 46 13.494 -30.911 21.775 1.00 24.32 O ATOM 0 H GLY A 46 15.511 -31.480 19.680 1.00 62.21 H new ATOM 0 HA2 GLY A 46 14.334 -33.267 20.565 1.00 35.13 H new ATOM 0 HA3 GLY A 46 15.518 -33.463 21.842 1.00 35.13 H new ATOM 726 N GLU A 47 14.037 -32.296 23.452 1.00 62.41 N ATOM 727 CA GLU A 47 13.377 -31.489 24.465 1.00 21.42 C ATOM 728 C GLU A 47 14.391 -31.011 25.491 1.00 12.53 C ATOM 729 O GLU A 47 14.108 -30.932 26.687 1.00 4.41 O ATOM 730 CB GLU A 47 12.247 -32.257 25.146 1.00 22.13 C ATOM 731 CG GLU A 47 11.045 -32.476 24.248 1.00 11.01 C ATOM 732 CD GLU A 47 9.805 -32.861 25.024 1.00 54.23 C ATOM 733 OE1 GLU A 47 9.033 -31.955 25.405 1.00 31.03 O ATOM 734 OE2 GLU A 47 9.591 -34.068 25.253 1.00 71.43 O1- ATOM 0 H GLU A 47 14.433 -33.170 23.797 1.00 62.41 H new ATOM 0 HA GLU A 47 12.934 -30.624 23.971 1.00 21.42 H new ATOM 0 HB2 GLU A 47 12.624 -33.224 25.480 1.00 22.13 H new ATOM 0 HB3 GLU A 47 11.932 -31.713 26.037 1.00 22.13 H new ATOM 0 HG2 GLU A 47 10.848 -31.566 23.682 1.00 11.01 H new ATOM 0 HG3 GLU A 47 11.274 -33.258 23.524 1.00 11.01 H new ATOM 741 N ARG A 48 15.576 -30.677 25.006 1.00 3.22 N ATOM 742 CA ARG A 48 16.628 -30.167 25.865 1.00 11.31 C ATOM 743 C ARG A 48 16.508 -28.652 25.965 1.00 51.34 C ATOM 744 O ARG A 48 16.105 -27.990 25.004 1.00 74.21 O ATOM 745 CB ARG A 48 18.009 -30.534 25.316 1.00 14.32 C ATOM 746 CG ARG A 48 18.224 -32.016 25.057 1.00 42.31 C ATOM 747 CD ARG A 48 18.081 -32.839 26.322 1.00 42.54 C ATOM 748 NE ARG A 48 18.603 -34.193 26.152 1.00 62.44 N ATOM 749 CZ ARG A 48 18.145 -35.261 26.804 1.00 10.24 C ATOM 750 NH1 ARG A 48 17.079 -35.158 27.589 1.00 25.54 N1+ ATOM 751 NH2 ARG A 48 18.743 -36.434 26.657 1.00 20.12 N ATOM 0 H ARG A 48 15.832 -30.751 24.021 1.00 3.22 H new ATOM 0 HA ARG A 48 16.518 -30.617 26.852 1.00 11.31 H new ATOM 0 HB2 ARG A 48 18.169 -29.991 24.385 1.00 14.32 H new ATOM 0 HB3 ARG A 48 18.767 -30.190 26.020 1.00 14.32 H new ATOM 0 HG2 ARG A 48 17.504 -32.363 24.315 1.00 42.31 H new ATOM 0 HG3 ARG A 48 19.217 -32.170 24.634 1.00 42.31 H new ATOM 0 HD2 ARG A 48 18.609 -32.346 27.138 1.00 42.54 H new ATOM 0 HD3 ARG A 48 17.030 -32.888 26.607 1.00 42.54 H new ATOM 0 HE ARG A 48 19.368 -34.330 25.491 1.00 62.44 H new ATOM 0 HH11 ARG A 48 16.608 -34.259 27.694 1.00 25.54 H new ATOM 0 HH12 ARG A 48 16.731 -35.978 28.087 1.00 25.54 H new ATOM 0 HH21 ARG A 48 19.554 -36.520 26.045 1.00 20.12 H new ATOM 0 HH22 ARG A 48 18.392 -37.251 27.156 1.00 20.12 H new ATOM 765 N GLU A 49 16.853 -28.101 27.117 1.00 44.11 N ATOM 766 CA GLU A 49 16.729 -26.669 27.334 1.00 30.02 C ATOM 767 C GLU A 49 18.087 -25.989 27.249 1.00 63.13 C ATOM 768 O GLU A 49 19.127 -26.646 27.257 1.00 72.31 O ATOM 769 CB GLU A 49 16.082 -26.384 28.687 1.00 5.24 C ATOM 770 CG GLU A 49 14.712 -27.018 28.844 1.00 21.11 C ATOM 771 CD GLU A 49 13.999 -26.553 30.092 1.00 74.41 C ATOM 772 OE1 GLU A 49 13.096 -25.698 29.979 1.00 50.41 O ATOM 773 OE2 GLU A 49 14.333 -27.038 31.192 1.00 41.04 O1- ATOM 0 H GLU A 49 17.220 -28.621 27.914 1.00 44.11 H new ATOM 0 HA GLU A 49 16.090 -26.264 26.549 1.00 30.02 H new ATOM 0 HB2 GLU A 49 16.736 -26.749 29.479 1.00 5.24 H new ATOM 0 HB3 GLU A 49 15.993 -25.306 28.819 1.00 5.24 H new ATOM 0 HG2 GLU A 49 14.103 -26.780 27.972 1.00 21.11 H new ATOM 0 HG3 GLU A 49 14.818 -28.102 28.873 1.00 21.11 H new ATOM 780 N VAL A 50 18.068 -24.672 27.147 1.00 34.14 N ATOM 781 CA VAL A 50 19.290 -23.885 27.108 1.00 54.31 C ATOM 782 C VAL A 50 19.177 -22.709 28.065 1.00 4.42 C ATOM 783 O VAL A 50 18.086 -22.165 28.261 1.00 41.03 O ATOM 784 CB VAL A 50 19.592 -23.344 25.688 1.00 15.41 C ATOM 785 CG1 VAL A 50 19.807 -24.478 24.698 1.00 14.02 C ATOM 786 CG2 VAL A 50 18.479 -22.421 25.207 1.00 31.42 C ATOM 0 H VAL A 50 17.212 -24.120 27.089 1.00 34.14 H new ATOM 0 HA VAL A 50 20.106 -24.544 27.403 1.00 54.31 H new ATOM 0 HB VAL A 50 20.515 -22.768 25.747 1.00 15.41 H new ATOM 0 HG11 VAL A 50 20.017 -24.065 23.711 1.00 14.02 H new ATOM 0 HG12 VAL A 50 20.649 -25.089 25.022 1.00 14.02 H new ATOM 0 HG13 VAL A 50 18.909 -25.094 24.650 1.00 14.02 H new ATOM 0 HG21 VAL A 50 18.716 -22.055 24.208 1.00 31.42 H new ATOM 0 HG22 VAL A 50 17.538 -22.970 25.179 1.00 31.42 H new ATOM 0 HG23 VAL A 50 18.386 -21.577 25.890 1.00 31.42 H new ATOM 796 N VAL A 51 20.284 -22.325 28.677 1.00 23.20 N ATOM 797 CA VAL A 51 20.297 -21.112 29.473 1.00 2.24 C ATOM 798 C VAL A 51 21.096 -20.034 28.743 1.00 12.52 C ATOM 799 O VAL A 51 22.325 -19.991 28.780 1.00 73.23 O ATOM 800 CB VAL A 51 20.837 -21.354 30.906 1.00 35.20 C ATOM 801 CG1 VAL A 51 22.182 -22.056 30.888 1.00 24.00 C ATOM 802 CG2 VAL A 51 20.927 -20.048 31.682 1.00 4.13 C ATOM 0 H VAL A 51 21.171 -22.827 28.639 1.00 23.20 H new ATOM 0 HA VAL A 51 19.269 -20.771 29.595 1.00 2.24 H new ATOM 0 HB VAL A 51 20.128 -22.009 31.412 1.00 35.20 H new ATOM 0 HG11 VAL A 51 22.527 -22.208 31.911 1.00 24.00 H new ATOM 0 HG12 VAL A 51 22.082 -23.021 30.392 1.00 24.00 H new ATOM 0 HG13 VAL A 51 22.905 -21.444 30.348 1.00 24.00 H new ATOM 0 HG21 VAL A 51 21.308 -20.246 32.684 1.00 4.13 H new ATOM 0 HG22 VAL A 51 21.600 -19.364 31.166 1.00 4.13 H new ATOM 0 HG23 VAL A 51 19.937 -19.598 31.753 1.00 4.13 H new ATOM 812 N GLY A 52 20.365 -19.203 28.028 1.00 43.00 N ATOM 813 CA GLY A 52 20.958 -18.142 27.251 1.00 12.21 C ATOM 814 C GLY A 52 19.977 -17.016 27.046 1.00 21.54 C ATOM 815 O GLY A 52 18.805 -17.155 27.410 1.00 21.14 O ATOM 0 H GLY A 52 19.347 -19.246 27.971 1.00 43.00 H new ATOM 0 HA2 GLY A 52 21.848 -17.768 27.758 1.00 12.21 H new ATOM 0 HA3 GLY A 52 21.281 -18.530 26.285 1.00 12.21 H new ATOM 819 N PRO A 53 20.406 -15.886 26.471 1.00 41.45 N ATOM 820 CA PRO A 53 19.487 -14.819 26.096 1.00 13.20 C ATOM 821 C PRO A 53 18.702 -15.203 24.842 1.00 34.33 C ATOM 822 O PRO A 53 18.882 -14.621 23.767 1.00 53.40 O ATOM 823 CB PRO A 53 20.406 -13.627 25.833 1.00 30.31 C ATOM 824 CG PRO A 53 21.722 -14.222 25.457 1.00 70.42 C ATOM 825 CD PRO A 53 21.806 -15.569 26.129 1.00 22.42 C ATOM 0 HA PRO A 53 18.740 -14.608 26.861 1.00 13.20 H new ATOM 0 HB2 PRO A 53 20.016 -12.998 25.033 1.00 30.31 H new ATOM 0 HB3 PRO A 53 20.497 -12.997 26.718 1.00 30.31 H new ATOM 0 HG2 PRO A 53 21.803 -14.325 24.375 1.00 70.42 H new ATOM 0 HG3 PRO A 53 22.542 -13.579 25.778 1.00 70.42 H new ATOM 0 HD2 PRO A 53 22.234 -16.320 25.465 1.00 22.42 H new ATOM 0 HD3 PRO A 53 22.436 -15.533 27.018 1.00 22.42 H new ATOM 833 N LYS A 54 17.846 -16.208 24.992 1.00 53.33 N ATOM 834 CA LYS A 54 17.128 -16.781 23.866 1.00 53.43 C ATOM 835 C LYS A 54 15.866 -15.988 23.545 1.00 54.24 C ATOM 836 O LYS A 54 14.778 -16.283 24.042 1.00 72.35 O ATOM 837 CB LYS A 54 16.776 -18.251 24.143 1.00 14.34 C ATOM 838 CG LYS A 54 16.166 -18.492 25.519 1.00 2.25 C ATOM 839 CD LYS A 54 15.484 -19.846 25.600 1.00 62.01 C ATOM 840 CE LYS A 54 14.809 -20.048 26.945 1.00 22.54 C ATOM 841 NZ LYS A 54 13.815 -21.149 26.897 1.00 20.32 N1+ ATOM 0 H LYS A 54 17.634 -16.643 25.890 1.00 53.33 H new ATOM 0 HA LYS A 54 17.785 -16.732 22.997 1.00 53.43 H new ATOM 0 HB2 LYS A 54 16.077 -18.597 23.381 1.00 14.34 H new ATOM 0 HB3 LYS A 54 17.678 -18.855 24.046 1.00 14.34 H new ATOM 0 HG2 LYS A 54 16.945 -18.431 26.279 1.00 2.25 H new ATOM 0 HG3 LYS A 54 15.443 -17.706 25.740 1.00 2.25 H new ATOM 0 HD2 LYS A 54 14.744 -19.930 24.804 1.00 62.01 H new ATOM 0 HD3 LYS A 54 16.218 -20.635 25.438 1.00 62.01 H new ATOM 0 HE2 LYS A 54 15.562 -20.270 27.701 1.00 22.54 H new ATOM 0 HE3 LYS A 54 14.316 -19.124 27.248 1.00 22.54 H new ATOM 0 HZ1 LYS A 54 13.599 -21.464 27.864 1.00 20.32 H new ATOM 0 HZ2 LYS A 54 12.944 -20.811 26.441 1.00 20.32 H new ATOM 0 HZ3 LYS A 54 14.204 -21.945 26.352 1.00 20.32 H new ATOM 855 N VAL A 55 16.033 -14.975 22.715 1.00 2.14 N ATOM 856 CA VAL A 55 14.919 -14.193 22.208 1.00 11.43 C ATOM 857 C VAL A 55 15.358 -13.445 20.956 1.00 43.22 C ATOM 858 O VAL A 55 16.401 -12.793 20.945 1.00 65.24 O ATOM 859 CB VAL A 55 14.374 -13.203 23.270 1.00 34.24 C ATOM 860 CG1 VAL A 55 15.461 -12.247 23.750 1.00 71.14 C ATOM 861 CG2 VAL A 55 13.177 -12.433 22.727 1.00 74.12 C ATOM 0 H VAL A 55 16.944 -14.671 22.373 1.00 2.14 H new ATOM 0 HA VAL A 55 14.106 -14.876 21.963 1.00 11.43 H new ATOM 0 HB VAL A 55 14.045 -13.787 24.129 1.00 34.24 H new ATOM 0 HG11 VAL A 55 15.045 -11.567 24.493 1.00 71.14 H new ATOM 0 HG12 VAL A 55 16.276 -12.817 24.195 1.00 71.14 H new ATOM 0 HG13 VAL A 55 15.840 -11.673 22.905 1.00 71.14 H new ATOM 0 HG21 VAL A 55 12.811 -11.745 23.489 1.00 74.12 H new ATOM 0 HG22 VAL A 55 13.477 -11.870 21.843 1.00 74.12 H new ATOM 0 HG23 VAL A 55 12.385 -13.133 22.460 1.00 74.12 H new ATOM 871 N ARG A 56 14.584 -13.567 19.895 1.00 3.44 N ATOM 872 CA ARG A 56 14.931 -12.948 18.627 1.00 30.34 C ATOM 873 C ARG A 56 13.737 -12.227 18.043 1.00 34.22 C ATOM 874 O ARG A 56 12.780 -12.861 17.613 1.00 45.24 O ATOM 875 CB ARG A 56 15.424 -14.003 17.637 1.00 31.13 C ATOM 876 CG ARG A 56 16.749 -14.630 18.019 1.00 60.22 C ATOM 877 CD ARG A 56 17.881 -13.628 17.912 1.00 12.52 C ATOM 878 NE ARG A 56 19.169 -14.217 18.255 1.00 73.32 N ATOM 879 CZ ARG A 56 19.906 -14.926 17.405 1.00 41.54 C ATOM 880 NH1 ARG A 56 19.451 -15.173 16.183 1.00 41.24 N1+ ATOM 881 NH2 ARG A 56 21.096 -15.380 17.774 1.00 53.04 N ATOM 0 H ARG A 56 13.708 -14.090 19.884 1.00 3.44 H new ATOM 0 HA ARG A 56 15.727 -12.226 18.809 1.00 30.34 H new ATOM 0 HB2 ARG A 56 14.672 -14.788 17.553 1.00 31.13 H new ATOM 0 HB3 ARG A 56 15.520 -13.546 16.652 1.00 31.13 H new ATOM 0 HG2 ARG A 56 16.693 -15.012 19.038 1.00 60.22 H new ATOM 0 HG3 ARG A 56 16.952 -15.482 17.370 1.00 60.22 H new ATOM 0 HD2 ARG A 56 17.922 -13.235 16.896 1.00 12.52 H new ATOM 0 HD3 ARG A 56 17.681 -12.784 18.573 1.00 12.52 H new ATOM 0 HE ARG A 56 19.525 -14.078 19.200 1.00 73.32 H new ATOM 0 HH11 ARG A 56 18.538 -14.819 15.898 1.00 41.24 H new ATOM 0 HH12 ARG A 56 20.014 -15.717 15.529 1.00 41.24 H new ATOM 0 HH21 ARG A 56 21.448 -15.186 18.711 1.00 53.04 H new ATOM 0 HH22 ARG A 56 21.660 -15.924 17.120 1.00 53.04 H new ATOM 895 N LYS A 57 13.794 -10.906 18.033 1.00 33.31 N ATOM 896 CA LYS A 57 12.725 -10.111 17.459 1.00 4.11 C ATOM 897 C LYS A 57 13.078 -9.727 16.029 1.00 15.33 C ATOM 898 O LYS A 57 14.094 -9.079 15.785 1.00 3.22 O ATOM 899 CB LYS A 57 12.472 -8.856 18.305 1.00 43.11 C ATOM 900 CG LYS A 57 11.362 -7.965 17.764 1.00 71.30 C ATOM 901 CD LYS A 57 11.229 -6.675 18.564 1.00 14.43 C ATOM 902 CE LYS A 57 10.649 -6.910 19.954 1.00 11.33 C ATOM 903 NZ LYS A 57 9.238 -7.381 19.904 1.00 52.31 N1+ ATOM 0 H LYS A 57 14.568 -10.363 18.415 1.00 33.31 H new ATOM 0 HA LYS A 57 11.811 -10.705 17.450 1.00 4.11 H new ATOM 0 HB2 LYS A 57 12.220 -9.159 19.321 1.00 43.11 H new ATOM 0 HB3 LYS A 57 13.394 -8.277 18.364 1.00 43.11 H new ATOM 0 HG2 LYS A 57 11.565 -7.726 16.720 1.00 71.30 H new ATOM 0 HG3 LYS A 57 10.417 -8.507 17.789 1.00 71.30 H new ATOM 0 HD2 LYS A 57 12.208 -6.206 18.657 1.00 14.43 H new ATOM 0 HD3 LYS A 57 10.591 -5.978 18.020 1.00 14.43 H new ATOM 0 HE2 LYS A 57 11.257 -7.646 20.480 1.00 11.33 H new ATOM 0 HE3 LYS A 57 10.701 -5.985 20.528 1.00 11.33 H new ATOM 0 HZ1 LYS A 57 8.865 -7.462 20.871 1.00 52.31 H new ATOM 0 HZ2 LYS A 57 8.664 -6.700 19.367 1.00 52.31 H new ATOM 0 HZ3 LYS A 57 9.198 -8.310 19.439 1.00 52.31 H new ATOM 917 N CYS A 58 12.257 -10.172 15.091 1.00 72.13 N ATOM 918 CA CYS A 58 12.443 -9.843 13.683 1.00 62.31 C ATOM 919 C CYS A 58 12.321 -8.338 13.453 1.00 74.10 C ATOM 920 O CYS A 58 11.388 -7.696 13.944 1.00 14.35 O ATOM 921 CB CYS A 58 11.422 -10.593 12.823 1.00 65.03 C ATOM 922 SG CYS A 58 11.623 -10.332 11.035 1.00 34.12 S ATOM 0 H CYS A 58 11.450 -10.766 15.279 1.00 72.13 H new ATOM 0 HA CYS A 58 13.447 -10.153 13.392 1.00 62.31 H new ATOM 0 HB2 CYS A 58 11.499 -11.660 13.034 1.00 65.03 H new ATOM 0 HB3 CYS A 58 10.419 -10.281 13.114 1.00 65.03 H new ATOM 927 N LEU A 59 13.270 -7.788 12.711 1.00 20.31 N ATOM 928 CA LEU A 59 13.311 -6.358 12.447 1.00 35.20 C ATOM 929 C LEU A 59 12.685 -6.044 11.092 1.00 35.41 C ATOM 930 O LEU A 59 12.197 -6.937 10.401 1.00 75.32 O ATOM 931 CB LEU A 59 14.759 -5.856 12.491 1.00 75.13 C ATOM 932 CG LEU A 59 15.487 -6.080 13.818 1.00 73.02 C ATOM 933 CD1 LEU A 59 16.925 -5.594 13.725 1.00 24.20 C ATOM 934 CD2 LEU A 59 14.754 -5.380 14.955 1.00 11.24 C ATOM 0 H LEU A 59 14.028 -8.316 12.278 1.00 20.31 H new ATOM 0 HA LEU A 59 12.736 -5.846 13.219 1.00 35.20 H new ATOM 0 HB2 LEU A 59 15.322 -6.349 11.699 1.00 75.13 H new ATOM 0 HB3 LEU A 59 14.764 -4.789 12.268 1.00 75.13 H new ATOM 0 HG LEU A 59 15.500 -7.149 14.028 1.00 73.02 H new ATOM 0 HD11 LEU A 59 17.428 -5.761 14.678 1.00 24.20 H new ATOM 0 HD12 LEU A 59 17.444 -6.143 12.939 1.00 24.20 H new ATOM 0 HD13 LEU A 59 16.935 -4.529 13.491 1.00 24.20 H new ATOM 0 HD21 LEU A 59 15.286 -5.551 15.891 1.00 11.24 H new ATOM 0 HD22 LEU A 59 14.708 -4.310 14.754 1.00 11.24 H new ATOM 0 HD23 LEU A 59 13.742 -5.778 15.035 1.00 11.24 H new ATOM 946 N ALA A 60 12.690 -4.767 10.724 1.00 33.55 N ATOM 947 CA ALA A 60 12.151 -4.336 9.438 1.00 14.42 C ATOM 948 C ALA A 60 13.137 -4.624 8.305 1.00 34.01 C ATOM 949 O ALA A 60 12.856 -4.356 7.133 1.00 3.23 O ATOM 950 CB ALA A 60 11.811 -2.856 9.483 1.00 21.55 C ATOM 0 H ALA A 60 13.062 -4.011 11.299 1.00 33.55 H new ATOM 0 HA ALA A 60 11.240 -4.902 9.242 1.00 14.42 H new ATOM 0 HB1 ALA A 60 11.410 -2.545 8.518 1.00 21.55 H new ATOM 0 HB2 ALA A 60 11.068 -2.677 10.260 1.00 21.55 H new ATOM 0 HB3 ALA A 60 12.711 -2.282 9.703 1.00 21.55 H new ATOM 956 N ASN A 61 14.293 -5.161 8.666 1.00 62.21 N ATOM 957 CA ASN A 61 15.306 -5.542 7.694 1.00 25.33 C ATOM 958 C ASN A 61 15.575 -7.036 7.803 1.00 24.31 C ATOM 959 O ASN A 61 15.112 -7.679 8.744 1.00 33.40 O ATOM 960 CB ASN A 61 16.595 -4.733 7.905 1.00 32.31 C ATOM 961 CG ASN A 61 17.284 -5.016 9.230 1.00 74.35 C ATOM 962 OD1 ASN A 61 16.938 -4.434 10.258 1.00 1.31 O ATOM 963 ND2 ASN A 61 18.287 -5.878 9.209 1.00 4.55 N ATOM 0 H ASN A 61 14.554 -5.344 9.635 1.00 62.21 H new ATOM 0 HA ASN A 61 14.941 -5.321 6.691 1.00 25.33 H new ATOM 0 HB2 ASN A 61 17.287 -4.951 7.092 1.00 32.31 H new ATOM 0 HB3 ASN A 61 16.360 -3.670 7.848 1.00 32.31 H new ATOM 0 HD21 ASN A 61 18.804 -6.080 10.065 1.00 4.55 H new ATOM 0 HD22 ASN A 61 18.544 -6.340 8.337 1.00 4.55 H new ATOM 970 N GLY A 62 16.319 -7.582 6.848 1.00 21.23 N ATOM 971 CA GLY A 62 16.549 -9.016 6.804 1.00 43.34 C ATOM 972 C GLY A 62 17.545 -9.498 7.844 1.00 30.15 C ATOM 973 O GLY A 62 18.605 -10.026 7.499 1.00 74.22 O ATOM 0 H GLY A 62 16.769 -7.055 6.100 1.00 21.23 H new ATOM 0 HA2 GLY A 62 15.601 -9.533 6.952 1.00 43.34 H new ATOM 0 HA3 GLY A 62 16.910 -9.289 5.812 1.00 43.34 H new ATOM 977 N SER A 63 17.205 -9.314 9.112 1.00 32.44 N ATOM 978 CA SER A 63 18.020 -9.794 10.214 1.00 55.04 C ATOM 979 C SER A 63 17.253 -9.644 11.523 1.00 64.31 C ATOM 980 O SER A 63 16.293 -8.875 11.609 1.00 34.44 O ATOM 981 CB SER A 63 19.351 -9.036 10.283 1.00 2.41 C ATOM 982 OG SER A 63 20.204 -9.581 11.278 1.00 62.04 O ATOM 0 H SER A 63 16.357 -8.828 9.403 1.00 32.44 H new ATOM 0 HA SER A 63 18.244 -10.848 10.049 1.00 55.04 H new ATOM 0 HB2 SER A 63 19.847 -9.078 9.313 1.00 2.41 H new ATOM 0 HB3 SER A 63 19.162 -7.984 10.499 1.00 2.41 H new ATOM 0 HG SER A 63 21.045 -9.079 11.298 1.00 62.04 H new ATOM 988 N TRP A 64 17.677 -10.380 12.533 1.00 43.33 N ATOM 989 CA TRP A 64 17.004 -10.375 13.820 1.00 43.33 C ATOM 990 C TRP A 64 17.721 -9.414 14.766 1.00 14.23 C ATOM 991 O TRP A 64 18.759 -8.862 14.404 1.00 63.32 O ATOM 992 CB TRP A 64 16.961 -11.800 14.385 1.00 65.43 C ATOM 993 CG TRP A 64 16.295 -12.779 13.454 1.00 63.21 C ATOM 994 CD1 TRP A 64 16.848 -13.369 12.350 1.00 40.32 C ATOM 995 CD2 TRP A 64 14.955 -13.282 13.543 1.00 51.21 C ATOM 996 NE1 TRP A 64 15.932 -14.195 11.744 1.00 61.14 N ATOM 997 CE2 TRP A 64 14.764 -14.164 12.459 1.00 3.21 C ATOM 998 CE3 TRP A 64 13.898 -13.074 14.432 1.00 55.00 C ATOM 999 CZ2 TRP A 64 13.558 -14.831 12.243 1.00 45.44 C ATOM 1000 CZ3 TRP A 64 12.704 -13.738 14.216 1.00 13.34 C ATOM 1001 CH2 TRP A 64 12.543 -14.606 13.130 1.00 30.45 C ATOM 0 H TRP A 64 18.491 -10.994 12.487 1.00 43.33 H new ATOM 0 HA TRP A 64 15.976 -10.030 13.705 1.00 43.33 H new ATOM 0 HB2 TRP A 64 17.978 -12.135 14.590 1.00 65.43 H new ATOM 0 HB3 TRP A 64 16.430 -11.792 15.337 1.00 65.43 H new ATOM 0 HD1 TRP A 64 17.859 -13.209 12.005 1.00 40.32 H new ATOM 0 HE1 TRP A 64 16.095 -14.742 10.899 1.00 61.14 H new ATOM 0 HE3 TRP A 64 14.011 -12.406 15.273 1.00 55.00 H new ATOM 0 HZ2 TRP A 64 13.431 -15.501 11.405 1.00 45.44 H new ATOM 0 HZ3 TRP A 64 11.881 -13.584 14.898 1.00 13.34 H new ATOM 0 HH2 TRP A 64 11.597 -15.108 12.990 1.00 30.45 H new ATOM 1012 N THR A 65 17.162 -9.210 15.957 1.00 64.24 N ATOM 1013 CA THR A 65 17.698 -8.250 16.926 1.00 62.45 C ATOM 1014 C THR A 65 19.205 -8.421 17.162 1.00 71.12 C ATOM 1015 O THR A 65 20.014 -7.626 16.674 1.00 30.41 O ATOM 1016 CB THR A 65 16.943 -8.366 18.261 1.00 0.54 C ATOM 1017 OG1 THR A 65 16.472 -9.712 18.435 1.00 14.20 O ATOM 1018 CG2 THR A 65 15.773 -7.395 18.315 1.00 4.51 C ATOM 0 H THR A 65 16.328 -9.702 16.279 1.00 64.24 H new ATOM 0 HA THR A 65 17.550 -7.257 16.501 1.00 62.45 H new ATOM 0 HB THR A 65 17.631 -8.113 19.068 1.00 0.54 H new ATOM 0 HG1 THR A 65 16.121 -9.821 19.344 1.00 14.20 H new ATOM 0 HG21 THR A 65 15.258 -7.499 19.270 1.00 4.51 H new ATOM 0 HG22 THR A 65 16.142 -6.375 18.211 1.00 4.51 H new ATOM 0 HG23 THR A 65 15.080 -7.615 17.503 1.00 4.51 H new ATOM 1026 N ASP A 66 19.579 -9.449 17.908 1.00 71.12 N ATOM 1027 CA ASP A 66 20.988 -9.753 18.135 1.00 34.33 C ATOM 1028 C ASP A 66 21.316 -11.099 17.525 1.00 13.42 C ATOM 1029 O ASP A 66 21.094 -12.133 18.153 1.00 3.12 O ATOM 1030 CB ASP A 66 21.315 -9.787 19.635 1.00 63.41 C ATOM 1031 CG ASP A 66 22.779 -10.093 19.912 1.00 40.15 C ATOM 1032 OD1 ASP A 66 23.110 -11.267 20.182 1.00 25.14 O ATOM 1033 OD2 ASP A 66 23.606 -9.157 19.877 1.00 24.04 O1- ATOM 0 H ASP A 66 18.929 -10.088 18.367 1.00 71.12 H new ATOM 0 HA ASP A 66 21.585 -8.969 17.669 1.00 34.33 H new ATOM 0 HB2 ASP A 66 21.059 -8.825 20.080 1.00 63.41 H new ATOM 0 HB3 ASP A 66 20.693 -10.539 20.121 1.00 63.41 H new ATOM 1038 N MET A 67 21.817 -11.116 16.299 1.00 22.12 N ATOM 1039 CA MET A 67 22.097 -12.389 15.668 1.00 54.13 C ATOM 1040 C MET A 67 23.548 -12.789 15.908 1.00 53.22 C ATOM 1041 O MET A 67 24.409 -12.654 15.037 1.00 32.02 O ATOM 1042 CB MET A 67 21.804 -12.275 14.162 1.00 11.22 C ATOM 1043 CG MET A 67 22.158 -13.502 13.336 1.00 72.34 C ATOM 1044 SD MET A 67 21.152 -14.944 13.729 1.00 2.02 S ATOM 1045 CE MET A 67 21.702 -16.067 12.445 1.00 10.45 C ATOM 0 H MET A 67 22.031 -10.290 15.739 1.00 22.12 H new ATOM 0 HA MET A 67 21.461 -13.162 16.100 1.00 54.13 H new ATOM 0 HB2 MET A 67 20.743 -12.062 14.030 1.00 11.22 H new ATOM 0 HB3 MET A 67 22.352 -11.420 13.766 1.00 11.22 H new ATOM 0 HG2 MET A 67 22.042 -13.265 12.278 1.00 72.34 H new ATOM 0 HG3 MET A 67 23.208 -13.747 13.494 1.00 72.34 H new ATOM 0 HE1 MET A 67 21.420 -17.086 12.708 1.00 10.45 H new ATOM 0 HE2 MET A 67 21.235 -15.794 11.498 1.00 10.45 H new ATOM 0 HE3 MET A 67 22.786 -16.004 12.347 1.00 10.45 H new ATOM 1055 N ASP A 68 23.803 -13.231 17.131 1.00 24.31 N ATOM 1056 CA ASP A 68 24.961 -14.042 17.476 1.00 2.01 C ATOM 1057 C ASP A 68 24.809 -14.499 18.916 1.00 63.14 C ATOM 1058 O ASP A 68 25.119 -13.743 19.834 1.00 55.15 O ATOM 1059 CB ASP A 68 26.288 -13.308 17.284 1.00 13.54 C ATOM 1060 CG ASP A 68 27.464 -14.255 17.431 1.00 11.43 C ATOM 1061 OD1 ASP A 68 28.545 -13.808 17.870 1.00 34.44 O ATOM 1062 OD2 ASP A 68 27.310 -15.457 17.121 1.00 51.53 O1- ATOM 0 H ASP A 68 23.198 -13.032 17.928 1.00 24.31 H new ATOM 0 HA ASP A 68 24.993 -14.895 16.798 1.00 2.01 H new ATOM 0 HB2 ASP A 68 26.311 -12.845 16.297 1.00 13.54 H new ATOM 0 HB3 ASP A 68 26.371 -12.504 18.015 1.00 13.54 H new ATOM 1067 N THR A 69 24.311 -15.696 19.145 1.00 35.52 N ATOM 1068 CA THR A 69 23.998 -16.096 20.505 1.00 74.33 C ATOM 1069 C THR A 69 24.333 -17.564 20.753 1.00 61.54 C ATOM 1070 O THR A 69 23.667 -18.458 20.230 1.00 13.04 O ATOM 1071 CB THR A 69 22.510 -15.837 20.822 1.00 11.41 C ATOM 1072 OG1 THR A 69 22.094 -14.597 20.227 1.00 32.14 O ATOM 1073 CG2 THR A 69 22.280 -15.761 22.322 1.00 22.51 C ATOM 0 H THR A 69 24.117 -16.395 18.428 1.00 35.52 H new ATOM 0 HA THR A 69 24.615 -15.491 21.169 1.00 74.33 H new ATOM 0 HB THR A 69 21.929 -16.664 20.414 1.00 11.41 H new ATOM 0 HG1 THR A 69 21.148 -14.438 20.430 1.00 32.14 H new ATOM 0 HG21 THR A 69 21.224 -15.578 22.519 1.00 22.51 H new ATOM 0 HG22 THR A 69 22.577 -16.702 22.784 1.00 22.51 H new ATOM 0 HG23 THR A 69 22.874 -14.948 22.740 1.00 22.51 H new ATOM 1081 N PRO A 70 25.386 -17.826 21.544 1.00 34.41 N ATOM 1082 CA PRO A 70 25.770 -19.182 21.918 1.00 42.43 C ATOM 1083 C PRO A 70 24.868 -19.746 23.015 1.00 23.34 C ATOM 1084 O PRO A 70 25.083 -19.506 24.205 1.00 64.14 O ATOM 1085 CB PRO A 70 27.208 -19.020 22.414 1.00 61.51 C ATOM 1086 CG PRO A 70 27.288 -17.616 22.917 1.00 11.35 C ATOM 1087 CD PRO A 70 26.288 -16.811 22.125 1.00 41.03 C ATOM 0 HA PRO A 70 25.679 -19.885 21.090 1.00 42.43 H new ATOM 0 HB2 PRO A 70 27.436 -19.736 23.204 1.00 61.51 H new ATOM 0 HB3 PRO A 70 27.924 -19.193 21.611 1.00 61.51 H new ATOM 0 HG2 PRO A 70 27.061 -17.574 23.982 1.00 11.35 H new ATOM 0 HG3 PRO A 70 28.294 -17.216 22.789 1.00 11.35 H new ATOM 0 HD2 PRO A 70 25.745 -16.113 22.762 1.00 41.03 H new ATOM 0 HD3 PRO A 70 26.776 -16.221 21.349 1.00 41.03 H new ATOM 1095 N SER A 71 23.835 -20.463 22.606 1.00 21.45 N ATOM 1096 CA SER A 71 22.904 -21.056 23.546 1.00 53.41 C ATOM 1097 C SER A 71 23.469 -22.361 24.102 1.00 14.12 C ATOM 1098 O SER A 71 23.543 -23.366 23.394 1.00 73.30 O ATOM 1099 CB SER A 71 21.559 -21.298 22.859 1.00 41.55 C ATOM 1100 OG SER A 71 21.729 -22.045 21.666 1.00 70.34 O ATOM 0 H SER A 71 23.621 -20.648 21.626 1.00 21.45 H new ATOM 0 HA SER A 71 22.753 -20.370 24.379 1.00 53.41 H new ATOM 0 HB2 SER A 71 20.891 -21.832 23.535 1.00 41.55 H new ATOM 0 HB3 SER A 71 21.085 -20.343 22.631 1.00 41.55 H new ATOM 0 HG SER A 71 22.417 -22.729 21.804 1.00 70.34 H new ATOM 1106 N ARG A 72 23.886 -22.333 25.361 1.00 45.03 N ATOM 1107 CA ARG A 72 24.449 -23.515 25.999 1.00 4.44 C ATOM 1108 C ARG A 72 23.340 -24.467 26.431 1.00 75.30 C ATOM 1109 O ARG A 72 22.456 -24.107 27.213 1.00 23.40 O ATOM 1110 CB ARG A 72 25.326 -23.118 27.195 1.00 34.44 C ATOM 1111 CG ARG A 72 24.618 -22.253 28.227 1.00 12.31 C ATOM 1112 CD ARG A 72 25.533 -21.884 29.386 1.00 24.33 C ATOM 1113 NE ARG A 72 26.664 -21.063 28.957 1.00 52.22 N ATOM 1114 CZ ARG A 72 27.138 -20.029 29.651 1.00 64.42 C ATOM 1115 NH1 ARG A 72 26.607 -19.714 30.829 1.00 45.44 N1+ ATOM 1116 NH2 ARG A 72 28.160 -19.329 29.177 1.00 31.31 N ATOM 0 H ARG A 72 23.845 -21.508 25.959 1.00 45.03 H new ATOM 0 HA ARG A 72 25.079 -24.032 25.275 1.00 4.44 H new ATOM 0 HB2 ARG A 72 25.688 -24.023 27.683 1.00 34.44 H new ATOM 0 HB3 ARG A 72 26.201 -22.583 26.828 1.00 34.44 H new ATOM 0 HG2 ARG A 72 24.253 -21.344 27.749 1.00 12.31 H new ATOM 0 HG3 ARG A 72 23.746 -22.784 28.608 1.00 12.31 H new ATOM 0 HD2 ARG A 72 24.961 -21.345 30.141 1.00 24.33 H new ATOM 0 HD3 ARG A 72 25.905 -22.794 29.857 1.00 24.33 H new ATOM 0 HE ARG A 72 27.117 -21.296 28.073 1.00 52.22 H new ATOM 0 HH11 ARG A 72 25.835 -20.265 31.204 1.00 45.44 H new ATOM 0 HH12 ARG A 72 26.972 -18.922 31.358 1.00 45.44 H new ATOM 0 HH21 ARG A 72 28.581 -19.583 28.283 1.00 31.31 H new ATOM 0 HH22 ARG A 72 28.525 -18.537 29.706 1.00 31.31 H new ATOM 1130 N CYS A 73 23.382 -25.674 25.892 1.00 4.41 N ATOM 1131 CA CYS A 73 22.379 -26.681 26.184 1.00 74.22 C ATOM 1132 C CYS A 73 22.569 -27.202 27.601 1.00 15.32 C ATOM 1133 O CYS A 73 23.551 -27.886 27.897 1.00 21.44 O ATOM 1134 CB CYS A 73 22.475 -27.816 25.163 1.00 72.10 C ATOM 1135 SG CYS A 73 21.087 -28.996 25.215 1.00 53.24 S ATOM 0 H CYS A 73 24.108 -25.981 25.244 1.00 4.41 H new ATOM 0 HA CYS A 73 21.385 -26.239 26.113 1.00 74.22 H new ATOM 0 HB2 CYS A 73 22.532 -27.385 24.163 1.00 72.10 H new ATOM 0 HB3 CYS A 73 23.405 -28.360 25.329 1.00 72.10 H new ATOM 1140 N VAL A 74 21.636 -26.857 28.476 1.00 70.53 N ATOM 1141 CA VAL A 74 21.747 -27.175 29.889 1.00 64.52 C ATOM 1142 C VAL A 74 20.429 -27.733 30.410 1.00 43.42 C ATOM 1143 O VAL A 74 19.377 -27.118 30.243 1.00 34.31 O ATOM 1144 CB VAL A 74 22.135 -25.924 30.716 1.00 54.13 C ATOM 1145 CG1 VAL A 74 22.170 -26.235 32.205 1.00 11.41 C ATOM 1146 CG2 VAL A 74 23.477 -25.375 30.263 1.00 43.31 C ATOM 0 H VAL A 74 20.786 -26.352 28.227 1.00 70.53 H new ATOM 0 HA VAL A 74 22.531 -27.924 29.999 1.00 64.52 H new ATOM 0 HB VAL A 74 21.371 -25.166 30.545 1.00 54.13 H new ATOM 0 HG11 VAL A 74 22.445 -25.337 32.758 1.00 11.41 H new ATOM 0 HG12 VAL A 74 21.186 -26.573 32.529 1.00 11.41 H new ATOM 0 HG13 VAL A 74 22.904 -27.018 32.396 1.00 11.41 H new ATOM 0 HG21 VAL A 74 23.730 -24.497 30.857 1.00 43.31 H new ATOM 0 HG22 VAL A 74 24.245 -26.137 30.396 1.00 43.31 H new ATOM 0 HG23 VAL A 74 23.420 -25.097 29.211 1.00 43.31 H new ATOM 1156 N ARG A 75 20.490 -28.902 31.025 1.00 64.45 N ATOM 1157 CA ARG A 75 19.314 -29.529 31.598 1.00 54.13 C ATOM 1158 C ARG A 75 19.705 -30.326 32.830 1.00 45.21 C ATOM 1159 O ARG A 75 20.806 -30.911 32.829 1.00 37.22 O ATOM 1160 CB ARG A 75 18.598 -30.412 30.565 1.00 55.34 C ATOM 1161 CG ARG A 75 19.511 -31.352 29.787 1.00 43.51 C ATOM 1162 CD ARG A 75 19.190 -32.812 30.065 1.00 51.22 C ATOM 1163 NE ARG A 75 19.677 -33.241 31.374 1.00 74.41 N ATOM 1164 CZ ARG A 75 18.926 -33.839 32.296 1.00 23.14 C ATOM 1165 NH1 ARG A 75 17.632 -34.038 32.083 1.00 33.54 N1+ ATOM 1166 NH2 ARG A 75 19.470 -34.225 33.441 1.00 4.05 N ATOM 1167 OXT ARG A 75 18.928 -30.343 33.806 1.00 37.22 O ATOM 0 H ARG A 75 21.350 -29.439 31.140 1.00 64.45 H new ATOM 0 HA ARG A 75 18.612 -28.751 31.897 1.00 54.13 H new ATOM 0 HB2 ARG A 75 17.840 -31.005 31.077 1.00 55.34 H new ATOM 0 HB3 ARG A 75 18.075 -29.768 29.858 1.00 55.34 H new ATOM 0 HG2 ARG A 75 19.411 -31.155 28.720 1.00 43.51 H new ATOM 0 HG3 ARG A 75 20.549 -31.152 30.052 1.00 43.51 H new ATOM 0 HD2 ARG A 75 18.112 -32.962 30.013 1.00 51.22 H new ATOM 0 HD3 ARG A 75 19.637 -33.435 29.290 1.00 51.22 H new ATOM 0 HE ARG A 75 20.658 -33.071 31.596 1.00 74.41 H new ATOM 0 HH11 ARG A 75 17.206 -33.732 31.208 1.00 33.54 H new ATOM 0 HH12 ARG A 75 17.063 -34.497 32.794 1.00 33.54 H new ATOM 0 HH21 ARG A 75 20.462 -34.064 33.614 1.00 4.05 H new ATOM 0 HH22 ARG A 75 18.897 -34.683 34.149 1.00 4.05 H new