USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 583 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 GLN : amide:sc= -0.161 X(o=0.63,f=0.22) USER MOD Set 1.2: A 73 THR OG1 : rot -82:sc= 0.795 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 1.18 K(o=1.2,f=-0.087) USER MOD Single : A 27 LYS NZ :NH3+ -162:sc= -0.0917 (180deg=-0.425) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 82:sc= 1.25 USER MOD Single : A 33 THR OG1 : rot 153:sc= 1.27 USER MOD Single : A 40 SER OG : rot 180:sc= -0.0263 USER MOD Single : A 42 SER OG : rot 180:sc= 0.0106 USER MOD Single : A 43 MET CE :methyl -137:sc= -0.401 (180deg=-1.75) USER MOD Single : A 57 LYS NZ :NH3+ 169:sc= 0.464 (180deg=0.336) USER MOD Single : A 64 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00369) USER MOD Single : A 65 ASN : amide:sc= 0.921 K(o=0.92,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 166:sc= -0.939 (180deg=-1.53!) USER MOD Single : A 68 THR OG1 : rot -64:sc= 0.979 USER MOD Single : A 74 LYS NZ :NH3+ 171:sc= 1.19 (180deg=0.721) USER MOD Single : A 75 TYR OH : rot 14:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 13 N ALA A 2 10.481 8.753 -2.541 1.00 1.12 N ATOM 14 CA ALA A 2 9.220 9.446 -2.409 1.00 0.91 C ATOM 15 C ALA A 2 8.786 9.275 -0.975 1.00 0.87 C ATOM 16 O ALA A 2 8.979 8.199 -0.397 1.00 1.07 O ATOM 17 CB ALA A 2 8.183 8.880 -3.370 1.00 0.92 C ATOM 0 HA ALA A 2 9.325 10.502 -2.659 1.00 0.91 H new ATOM 0 HB1 ALA A 2 7.243 9.419 -3.250 1.00 0.92 H new ATOM 0 HB2 ALA A 2 8.537 8.992 -4.395 1.00 0.92 H new ATOM 0 HB3 ALA A 2 8.025 7.823 -3.154 1.00 0.92 H new ATOM 23 N THR A 3 8.240 10.289 -0.382 1.00 0.76 N ATOM 24 CA THR A 3 7.989 10.218 1.020 1.00 0.76 C ATOM 25 C THR A 3 6.532 9.810 1.348 1.00 0.56 C ATOM 26 O THR A 3 5.704 9.746 0.452 1.00 0.48 O ATOM 27 CB THR A 3 8.483 11.509 1.713 1.00 0.97 C ATOM 28 OG1 THR A 3 9.650 11.961 0.991 1.00 1.45 O ATOM 29 CG2 THR A 3 8.925 11.244 3.147 1.00 1.57 C ATOM 0 H THR A 3 7.964 11.159 -0.837 1.00 0.76 H new ATOM 0 HA THR A 3 8.574 9.402 1.444 1.00 0.76 H new ATOM 0 HB THR A 3 7.670 12.236 1.720 1.00 0.97 H new ATOM 0 HG1 THR A 3 9.991 12.782 1.402 1.00 1.45 H new ATOM 0 HG21 THR A 3 9.265 12.175 3.601 1.00 1.57 H new ATOM 0 HG22 THR A 3 8.086 10.847 3.719 1.00 1.57 H new ATOM 0 HG23 THR A 3 9.740 10.520 3.149 1.00 1.57 H new ATOM 37 N GLN A 4 6.262 9.579 2.635 1.00 0.58 N ATOM 38 CA GLN A 4 5.032 8.995 3.175 1.00 0.52 C ATOM 39 C GLN A 4 3.729 9.465 2.503 1.00 0.49 C ATOM 40 O GLN A 4 2.999 8.631 1.981 1.00 0.51 O ATOM 41 CB GLN A 4 4.988 9.210 4.691 1.00 0.65 C ATOM 42 CG GLN A 4 3.870 8.471 5.397 1.00 1.14 C ATOM 43 CD GLN A 4 3.882 8.681 6.898 1.00 1.21 C ATOM 44 OE1 GLN A 4 4.297 9.723 7.393 1.00 1.64 O ATOM 45 NE2 GLN A 4 3.465 7.692 7.635 1.00 1.76 N ATOM 0 H GLN A 4 6.933 9.807 3.369 1.00 0.58 H new ATOM 0 HA GLN A 4 5.077 7.931 2.942 1.00 0.52 H new ATOM 0 HB2 GLN A 4 5.941 8.896 5.118 1.00 0.65 H new ATOM 0 HB3 GLN A 4 4.885 10.276 4.891 1.00 0.65 H new ATOM 0 HG2 GLN A 4 2.912 8.802 4.996 1.00 1.14 H new ATOM 0 HG3 GLN A 4 3.954 7.405 5.183 1.00 1.14 H new ATOM 0 HE21 GLN A 4 3.125 6.837 7.196 1.00 1.76 H new ATOM 0 HE22 GLN A 4 3.478 7.773 8.652 1.00 1.76 H new ATOM 54 N GLU A 5 3.462 10.767 2.463 1.00 0.53 N ATOM 55 CA GLU A 5 2.202 11.256 1.887 1.00 0.58 C ATOM 56 C GLU A 5 2.131 10.982 0.383 1.00 0.53 C ATOM 57 O GLU A 5 1.089 10.590 -0.144 1.00 0.60 O ATOM 58 CB GLU A 5 1.976 12.747 2.173 1.00 0.72 C ATOM 59 CG GLU A 5 3.066 13.672 1.656 1.00 1.48 C ATOM 60 CD GLU A 5 2.690 15.121 1.759 1.00 2.18 C ATOM 61 OE1 GLU A 5 2.660 15.669 2.872 1.00 2.49 O ATOM 62 OE2 GLU A 5 2.406 15.748 0.719 1.00 3.05 O ATOM 0 H GLU A 5 4.084 11.495 2.814 1.00 0.53 H new ATOM 0 HA GLU A 5 1.401 10.701 2.375 1.00 0.58 H new ATOM 0 HB2 GLU A 5 1.026 13.047 1.731 1.00 0.72 H new ATOM 0 HB3 GLU A 5 1.884 12.885 3.250 1.00 0.72 H new ATOM 0 HG2 GLU A 5 3.983 13.497 2.219 1.00 1.48 H new ATOM 0 HG3 GLU A 5 3.280 13.429 0.615 1.00 1.48 H new ATOM 69 N GLU A 6 3.260 11.121 -0.278 1.00 0.50 N ATOM 70 CA GLU A 6 3.349 10.934 -1.701 1.00 0.50 C ATOM 71 C GLU A 6 3.283 9.437 -2.014 1.00 0.42 C ATOM 72 O GLU A 6 2.827 9.022 -3.080 1.00 0.43 O ATOM 73 CB GLU A 6 4.636 11.579 -2.206 1.00 0.59 C ATOM 74 CG GLU A 6 4.763 11.670 -3.705 1.00 1.06 C ATOM 75 CD GLU A 6 5.927 12.533 -4.102 1.00 1.75 C ATOM 76 OE1 GLU A 6 5.771 13.766 -4.222 1.00 2.16 O ATOM 77 OE2 GLU A 6 7.033 11.989 -4.356 1.00 2.53 O ATOM 0 H GLU A 6 4.145 11.369 0.164 1.00 0.50 H new ATOM 0 HA GLU A 6 2.515 11.414 -2.214 1.00 0.50 H new ATOM 0 HB2 GLU A 6 4.708 12.584 -1.790 1.00 0.59 H new ATOM 0 HB3 GLU A 6 5.483 11.013 -1.819 1.00 0.59 H new ATOM 0 HG2 GLU A 6 4.889 10.671 -4.123 1.00 1.06 H new ATOM 0 HG3 GLU A 6 3.844 12.078 -4.126 1.00 1.06 H new ATOM 84 N ILE A 7 3.724 8.633 -1.055 1.00 0.36 N ATOM 85 CA ILE A 7 3.602 7.204 -1.143 1.00 0.33 C ATOM 86 C ILE A 7 2.113 6.832 -1.045 1.00 0.30 C ATOM 87 O ILE A 7 1.602 6.072 -1.855 1.00 0.30 O ATOM 88 CB ILE A 7 4.405 6.471 -0.025 1.00 0.36 C ATOM 89 CG1 ILE A 7 5.905 6.710 -0.204 1.00 0.40 C ATOM 90 CG2 ILE A 7 4.113 4.973 -0.040 1.00 0.40 C ATOM 91 CD1 ILE A 7 6.442 6.238 -1.535 1.00 0.45 C ATOM 0 H ILE A 7 4.174 8.963 -0.201 1.00 0.36 H new ATOM 0 HA ILE A 7 4.020 6.884 -2.097 1.00 0.33 H new ATOM 0 HB ILE A 7 4.092 6.876 0.937 1.00 0.36 H new ATOM 0 HG12 ILE A 7 6.109 7.775 -0.097 1.00 0.40 H new ATOM 0 HG13 ILE A 7 6.443 6.201 0.596 1.00 0.40 H new ATOM 0 HG21 ILE A 7 4.684 4.483 0.748 1.00 0.40 H new ATOM 0 HG22 ILE A 7 3.049 4.808 0.127 1.00 0.40 H new ATOM 0 HG23 ILE A 7 4.397 4.557 -1.006 1.00 0.40 H new ATOM 0 HD11 ILE A 7 7.512 6.441 -1.588 1.00 0.45 H new ATOM 0 HD12 ILE A 7 6.271 5.166 -1.637 1.00 0.45 H new ATOM 0 HD13 ILE A 7 5.932 6.766 -2.341 1.00 0.45 H new ATOM 103 N VAL A 8 1.433 7.398 -0.036 1.00 0.31 N ATOM 104 CA VAL A 8 -0.015 7.197 0.172 1.00 0.35 C ATOM 105 C VAL A 8 -0.784 7.529 -1.107 1.00 0.34 C ATOM 106 O VAL A 8 -1.656 6.756 -1.537 1.00 0.36 O ATOM 107 CB VAL A 8 -0.554 8.078 1.340 1.00 0.45 C ATOM 108 CG1 VAL A 8 -2.054 7.949 1.464 1.00 0.57 C ATOM 109 CG2 VAL A 8 0.081 7.684 2.650 1.00 0.49 C ATOM 0 H VAL A 8 1.867 8.006 0.658 1.00 0.31 H new ATOM 0 HA VAL A 8 -0.166 6.149 0.432 1.00 0.35 H new ATOM 0 HB VAL A 8 -0.297 9.112 1.111 1.00 0.45 H new ATOM 0 HG11 VAL A 8 -2.406 8.573 2.286 1.00 0.57 H new ATOM 0 HG12 VAL A 8 -2.525 8.272 0.536 1.00 0.57 H new ATOM 0 HG13 VAL A 8 -2.315 6.909 1.661 1.00 0.57 H new ATOM 0 HG21 VAL A 8 -0.312 8.313 3.449 1.00 0.49 H new ATOM 0 HG22 VAL A 8 -0.147 6.640 2.865 1.00 0.49 H new ATOM 0 HG23 VAL A 8 1.161 7.813 2.584 1.00 0.49 H new ATOM 119 N ALA A 9 -0.447 8.668 -1.701 1.00 0.37 N ATOM 120 CA ALA A 9 -1.041 9.111 -2.956 1.00 0.41 C ATOM 121 C ALA A 9 -0.923 8.025 -4.026 1.00 0.37 C ATOM 122 O ALA A 9 -1.907 7.684 -4.679 1.00 0.43 O ATOM 123 CB ALA A 9 -0.368 10.387 -3.430 1.00 0.48 C ATOM 0 H ALA A 9 0.248 9.312 -1.324 1.00 0.37 H new ATOM 0 HA ALA A 9 -2.099 9.309 -2.784 1.00 0.41 H new ATOM 0 HB1 ALA A 9 -0.819 10.709 -4.368 1.00 0.48 H new ATOM 0 HB2 ALA A 9 -0.496 11.167 -2.679 1.00 0.48 H new ATOM 0 HB3 ALA A 9 0.695 10.202 -3.583 1.00 0.48 H new ATOM 129 N GLY A 10 0.270 7.449 -4.143 1.00 0.33 N ATOM 130 CA GLY A 10 0.520 6.418 -5.122 1.00 0.34 C ATOM 131 C GLY A 10 -0.258 5.161 -4.814 1.00 0.31 C ATOM 132 O GLY A 10 -0.796 4.524 -5.716 1.00 0.37 O ATOM 0 H GLY A 10 1.076 7.686 -3.565 1.00 0.33 H new ATOM 0 HA2 GLY A 10 0.248 6.782 -6.113 1.00 0.34 H new ATOM 0 HA3 GLY A 10 1.586 6.190 -5.148 1.00 0.34 H new ATOM 136 N LEU A 11 -0.327 4.823 -3.533 1.00 0.26 N ATOM 137 CA LEU A 11 -1.061 3.656 -3.051 1.00 0.25 C ATOM 138 C LEU A 11 -2.517 3.727 -3.453 1.00 0.23 C ATOM 139 O LEU A 11 -3.060 2.799 -4.077 1.00 0.24 O ATOM 140 CB LEU A 11 -0.971 3.567 -1.520 1.00 0.28 C ATOM 141 CG LEU A 11 0.389 3.218 -0.928 1.00 0.30 C ATOM 142 CD1 LEU A 11 0.347 3.342 0.586 1.00 0.33 C ATOM 143 CD2 LEU A 11 0.773 1.803 -1.317 1.00 0.32 C ATOM 0 H LEU A 11 0.128 5.355 -2.791 1.00 0.26 H new ATOM 0 HA LEU A 11 -0.610 2.771 -3.501 1.00 0.25 H new ATOM 0 HB2 LEU A 11 -1.286 4.525 -1.106 1.00 0.28 H new ATOM 0 HB3 LEU A 11 -1.690 2.821 -1.181 1.00 0.28 H new ATOM 0 HG LEU A 11 1.133 3.912 -1.320 1.00 0.30 H new ATOM 0 HD11 LEU A 11 1.324 3.090 0.999 1.00 0.33 H new ATOM 0 HD12 LEU A 11 0.090 4.365 0.860 1.00 0.33 H new ATOM 0 HD13 LEU A 11 -0.403 2.660 0.986 1.00 0.33 H new ATOM 0 HD21 LEU A 11 1.746 1.560 -0.891 1.00 0.32 H new ATOM 0 HD22 LEU A 11 0.026 1.106 -0.937 1.00 0.32 H new ATOM 0 HD23 LEU A 11 0.823 1.725 -2.403 1.00 0.32 H new ATOM 155 N ALA A 12 -3.134 4.852 -3.146 1.00 0.23 N ATOM 156 CA ALA A 12 -4.543 5.050 -3.386 1.00 0.23 C ATOM 157 C ALA A 12 -4.896 5.027 -4.857 1.00 0.21 C ATOM 158 O ALA A 12 -6.029 4.756 -5.200 1.00 0.24 O ATOM 159 CB ALA A 12 -5.030 6.319 -2.746 1.00 0.28 C ATOM 0 H ALA A 12 -2.667 5.654 -2.722 1.00 0.23 H new ATOM 0 HA ALA A 12 -5.054 4.206 -2.923 1.00 0.23 H new ATOM 0 HB1 ALA A 12 -6.095 6.441 -2.944 1.00 0.28 H new ATOM 0 HB2 ALA A 12 -4.864 6.271 -1.670 1.00 0.28 H new ATOM 0 HB3 ALA A 12 -4.485 7.167 -3.159 1.00 0.28 H new ATOM 165 N GLU A 13 -3.930 5.290 -5.722 1.00 0.24 N ATOM 166 CA GLU A 13 -4.173 5.249 -7.157 1.00 0.29 C ATOM 167 C GLU A 13 -4.564 3.853 -7.589 1.00 0.28 C ATOM 168 O GLU A 13 -5.607 3.657 -8.237 1.00 0.37 O ATOM 169 CB GLU A 13 -2.970 5.733 -7.950 1.00 0.42 C ATOM 170 CG GLU A 13 -2.574 7.156 -7.644 1.00 0.94 C ATOM 171 CD GLU A 13 -1.489 7.655 -8.545 1.00 1.53 C ATOM 172 OE1 GLU A 13 -0.306 7.459 -8.210 1.00 2.48 O ATOM 173 OE2 GLU A 13 -1.784 8.263 -9.587 1.00 1.55 O ATOM 0 H GLU A 13 -2.975 5.533 -5.459 1.00 0.24 H new ATOM 0 HA GLU A 13 -4.999 5.929 -7.367 1.00 0.29 H new ATOM 0 HB2 GLU A 13 -2.123 5.078 -7.745 1.00 0.42 H new ATOM 0 HB3 GLU A 13 -3.189 5.647 -9.014 1.00 0.42 H new ATOM 0 HG2 GLU A 13 -3.447 7.801 -7.740 1.00 0.94 H new ATOM 0 HG3 GLU A 13 -2.241 7.222 -6.608 1.00 0.94 H new ATOM 180 N ILE A 14 -3.781 2.878 -7.178 1.00 0.24 N ATOM 181 CA ILE A 14 -4.066 1.510 -7.539 1.00 0.28 C ATOM 182 C ILE A 14 -5.304 1.031 -6.771 1.00 0.25 C ATOM 183 O ILE A 14 -6.150 0.306 -7.311 1.00 0.32 O ATOM 184 CB ILE A 14 -2.867 0.507 -7.314 1.00 0.35 C ATOM 185 CG1 ILE A 14 -1.607 0.875 -8.128 1.00 0.43 C ATOM 186 CG2 ILE A 14 -3.282 -0.891 -7.692 1.00 0.42 C ATOM 187 CD1 ILE A 14 -0.811 2.034 -7.596 1.00 0.44 C ATOM 0 H ILE A 14 -2.951 3.007 -6.600 1.00 0.24 H new ATOM 0 HA ILE A 14 -4.246 1.509 -8.614 1.00 0.28 H new ATOM 0 HB ILE A 14 -2.615 0.570 -6.255 1.00 0.35 H new ATOM 0 HG12 ILE A 14 -0.957 0.001 -8.175 1.00 0.43 H new ATOM 0 HG13 ILE A 14 -1.909 1.103 -9.150 1.00 0.43 H new ATOM 0 HG21 ILE A 14 -2.447 -1.574 -7.533 1.00 0.42 H new ATOM 0 HG22 ILE A 14 -4.126 -1.199 -7.075 1.00 0.42 H new ATOM 0 HG23 ILE A 14 -3.573 -0.913 -8.742 1.00 0.42 H new ATOM 0 HD11 ILE A 14 0.051 2.209 -8.239 1.00 0.44 H new ATOM 0 HD12 ILE A 14 -1.436 2.926 -7.576 1.00 0.44 H new ATOM 0 HD13 ILE A 14 -0.470 1.808 -6.586 1.00 0.44 H new ATOM 199 N VAL A 15 -5.452 1.493 -5.533 1.00 0.22 N ATOM 200 CA VAL A 15 -6.597 1.094 -4.737 1.00 0.22 C ATOM 201 C VAL A 15 -7.909 1.715 -5.299 1.00 0.22 C ATOM 202 O VAL A 15 -8.986 1.141 -5.176 1.00 0.25 O ATOM 203 CB VAL A 15 -6.429 1.366 -3.202 1.00 0.26 C ATOM 204 CG1 VAL A 15 -7.567 0.749 -2.412 1.00 0.30 C ATOM 205 CG2 VAL A 15 -5.117 0.808 -2.683 1.00 0.34 C ATOM 0 H VAL A 15 -4.805 2.131 -5.070 1.00 0.22 H new ATOM 0 HA VAL A 15 -6.666 0.010 -4.825 1.00 0.22 H new ATOM 0 HB VAL A 15 -6.437 2.448 -3.070 1.00 0.26 H new ATOM 0 HG11 VAL A 15 -7.425 0.953 -1.351 1.00 0.30 H new ATOM 0 HG12 VAL A 15 -8.513 1.179 -2.741 1.00 0.30 H new ATOM 0 HG13 VAL A 15 -7.581 -0.329 -2.576 1.00 0.30 H new ATOM 0 HG21 VAL A 15 -5.031 1.013 -1.616 1.00 0.34 H new ATOM 0 HG22 VAL A 15 -5.089 -0.269 -2.849 1.00 0.34 H new ATOM 0 HG23 VAL A 15 -4.287 1.278 -3.211 1.00 0.34 H new ATOM 215 N ASN A 16 -7.796 2.845 -5.973 1.00 0.24 N ATOM 216 CA ASN A 16 -8.943 3.482 -6.632 1.00 0.30 C ATOM 217 C ASN A 16 -9.321 2.714 -7.891 1.00 0.34 C ATOM 218 O ASN A 16 -10.469 2.679 -8.284 1.00 0.43 O ATOM 219 CB ASN A 16 -8.659 4.966 -6.958 1.00 0.37 C ATOM 220 CG ASN A 16 -9.778 5.637 -7.754 1.00 0.50 C ATOM 221 OD1 ASN A 16 -9.760 5.644 -8.982 1.00 0.95 O ATOM 222 ND2 ASN A 16 -10.748 6.195 -7.076 1.00 0.48 N ATOM 0 H ASN A 16 -6.917 3.351 -6.084 1.00 0.24 H new ATOM 0 HA ASN A 16 -9.785 3.456 -5.940 1.00 0.30 H new ATOM 0 HB2 ASN A 16 -8.507 5.512 -6.027 1.00 0.37 H new ATOM 0 HB3 ASN A 16 -7.729 5.035 -7.523 1.00 0.37 H new ATOM 0 HD21 ASN A 16 -11.516 6.652 -7.567 1.00 0.48 H new ATOM 0 HD22 ASN A 16 -10.736 6.173 -6.056 1.00 0.48 H new ATOM 229 N GLU A 17 -8.355 2.070 -8.485 1.00 0.37 N ATOM 230 CA GLU A 17 -8.588 1.269 -9.671 1.00 0.48 C ATOM 231 C GLU A 17 -9.231 -0.074 -9.274 1.00 0.47 C ATOM 232 O GLU A 17 -10.286 -0.453 -9.777 1.00 0.60 O ATOM 233 CB GLU A 17 -7.251 1.037 -10.395 1.00 0.63 C ATOM 234 CG GLU A 17 -7.341 0.249 -11.695 1.00 1.05 C ATOM 235 CD GLU A 17 -8.200 0.928 -12.731 1.00 1.51 C ATOM 236 OE1 GLU A 17 -7.795 1.971 -13.260 1.00 1.70 O ATOM 237 OE2 GLU A 17 -9.275 0.413 -13.062 1.00 2.11 O ATOM 0 H GLU A 17 -7.385 2.080 -8.168 1.00 0.37 H new ATOM 0 HA GLU A 17 -9.269 1.791 -10.343 1.00 0.48 H new ATOM 0 HB2 GLU A 17 -6.799 2.006 -10.608 1.00 0.63 H new ATOM 0 HB3 GLU A 17 -6.577 0.513 -9.718 1.00 0.63 H new ATOM 0 HG2 GLU A 17 -6.338 0.106 -12.098 1.00 1.05 H new ATOM 0 HG3 GLU A 17 -7.745 -0.742 -11.487 1.00 1.05 H new ATOM 244 N ILE A 18 -8.598 -0.752 -8.340 1.00 0.39 N ATOM 245 CA ILE A 18 -9.026 -2.079 -7.897 1.00 0.43 C ATOM 246 C ILE A 18 -10.296 -2.034 -7.043 1.00 0.44 C ATOM 247 O ILE A 18 -11.267 -2.745 -7.331 1.00 0.53 O ATOM 248 CB ILE A 18 -7.856 -2.771 -7.144 1.00 0.44 C ATOM 249 CG1 ILE A 18 -6.731 -3.020 -8.148 1.00 0.52 C ATOM 250 CG2 ILE A 18 -8.282 -4.066 -6.425 1.00 0.50 C ATOM 251 CD1 ILE A 18 -5.541 -3.752 -7.602 1.00 0.71 C ATOM 0 H ILE A 18 -7.768 -0.404 -7.860 1.00 0.39 H new ATOM 0 HA ILE A 18 -9.284 -2.665 -8.779 1.00 0.43 H new ATOM 0 HB ILE A 18 -7.510 -2.113 -6.347 1.00 0.44 H new ATOM 0 HG12 ILE A 18 -7.133 -3.587 -8.987 1.00 0.52 H new ATOM 0 HG13 ILE A 18 -6.398 -2.060 -8.542 1.00 0.52 H new ATOM 0 HG21 ILE A 18 -7.421 -4.501 -5.918 1.00 0.50 H new ATOM 0 HG22 ILE A 18 -9.056 -3.838 -5.693 1.00 0.50 H new ATOM 0 HG23 ILE A 18 -8.671 -4.776 -7.155 1.00 0.50 H new ATOM 0 HD11 ILE A 18 -4.799 -3.879 -8.390 1.00 0.71 H new ATOM 0 HD12 ILE A 18 -5.106 -3.179 -6.783 1.00 0.71 H new ATOM 0 HD13 ILE A 18 -5.852 -4.730 -7.235 1.00 0.71 H new ATOM 263 N ALA A 19 -10.294 -1.220 -6.017 1.00 0.40 N ATOM 264 CA ALA A 19 -11.430 -1.152 -5.122 1.00 0.46 C ATOM 265 C ALA A 19 -12.343 0.005 -5.485 1.00 0.45 C ATOM 266 O ALA A 19 -13.561 -0.134 -5.505 1.00 0.68 O ATOM 267 CB ALA A 19 -10.964 -1.043 -3.684 1.00 0.52 C ATOM 0 H ALA A 19 -9.523 -0.596 -5.778 1.00 0.40 H new ATOM 0 HA ALA A 19 -12.004 -2.073 -5.229 1.00 0.46 H new ATOM 0 HB1 ALA A 19 -11.830 -0.993 -3.024 1.00 0.52 H new ATOM 0 HB2 ALA A 19 -10.363 -1.916 -3.429 1.00 0.52 H new ATOM 0 HB3 ALA A 19 -10.363 -0.142 -3.564 1.00 0.52 H new ATOM 273 N GLY A 20 -11.754 1.129 -5.805 1.00 0.44 N ATOM 274 CA GLY A 20 -12.546 2.295 -6.147 1.00 0.46 C ATOM 275 C GLY A 20 -12.782 3.181 -4.953 1.00 0.52 C ATOM 276 O GLY A 20 -13.894 3.656 -4.728 1.00 0.93 O ATOM 0 H GLY A 20 -10.744 1.267 -5.838 1.00 0.44 H new ATOM 0 HA2 GLY A 20 -12.038 2.863 -6.926 1.00 0.46 H new ATOM 0 HA3 GLY A 20 -13.504 1.976 -6.558 1.00 0.46 H new ATOM 280 N ILE A 21 -11.747 3.385 -4.181 1.00 0.38 N ATOM 281 CA ILE A 21 -11.831 4.213 -2.992 1.00 0.39 C ATOM 282 C ILE A 21 -11.598 5.683 -3.316 1.00 0.43 C ATOM 283 O ILE A 21 -11.036 6.000 -4.369 1.00 0.50 O ATOM 284 CB ILE A 21 -10.824 3.740 -1.882 1.00 0.39 C ATOM 285 CG1 ILE A 21 -9.388 3.512 -2.420 1.00 0.41 C ATOM 286 CG2 ILE A 21 -11.328 2.488 -1.192 1.00 0.60 C ATOM 287 CD1 ILE A 21 -8.603 4.741 -2.842 1.00 0.43 C ATOM 0 H ILE A 21 -10.823 2.987 -4.352 1.00 0.38 H new ATOM 0 HA ILE A 21 -12.844 4.102 -2.605 1.00 0.39 H new ATOM 0 HB ILE A 21 -10.767 4.553 -1.158 1.00 0.39 H new ATOM 0 HG12 ILE A 21 -8.817 2.994 -1.650 1.00 0.41 H new ATOM 0 HG13 ILE A 21 -9.450 2.840 -3.276 1.00 0.41 H new ATOM 0 HG21 ILE A 21 -10.614 2.181 -0.428 1.00 0.60 H new ATOM 0 HG22 ILE A 21 -12.292 2.692 -0.726 1.00 0.60 H new ATOM 0 HG23 ILE A 21 -11.441 1.689 -1.925 1.00 0.60 H new ATOM 0 HD11 ILE A 21 -7.618 4.439 -3.197 1.00 0.43 H new ATOM 0 HD12 ILE A 21 -9.135 5.256 -3.642 1.00 0.43 H new ATOM 0 HD13 ILE A 21 -8.492 5.412 -1.990 1.00 0.43 H new ATOM 299 N PRO A 22 -12.038 6.594 -2.450 1.00 0.52 N ATOM 300 CA PRO A 22 -11.705 7.995 -2.579 1.00 0.60 C ATOM 301 C PRO A 22 -10.228 8.175 -2.255 1.00 0.55 C ATOM 302 O PRO A 22 -9.737 7.627 -1.255 1.00 0.52 O ATOM 303 CB PRO A 22 -12.567 8.687 -1.509 1.00 0.74 C ATOM 304 CG PRO A 22 -13.565 7.668 -1.089 1.00 0.75 C ATOM 305 CD PRO A 22 -12.908 6.343 -1.295 1.00 0.63 C ATOM 0 HA PRO A 22 -11.884 8.396 -3.577 1.00 0.60 H new ATOM 0 HB2 PRO A 22 -11.959 9.013 -0.665 1.00 0.74 H new ATOM 0 HB3 PRO A 22 -13.056 9.574 -1.911 1.00 0.74 H new ATOM 0 HG2 PRO A 22 -13.848 7.806 -0.045 1.00 0.75 H new ATOM 0 HG3 PRO A 22 -14.477 7.748 -1.680 1.00 0.75 H new ATOM 0 HD2 PRO A 22 -12.339 6.032 -0.419 1.00 0.63 H new ATOM 0 HD3 PRO A 22 -13.635 5.557 -1.498 1.00 0.63 H new ATOM 313 N VAL A 23 -9.515 8.911 -3.066 1.00 0.62 N ATOM 314 CA VAL A 23 -8.081 9.072 -2.850 1.00 0.65 C ATOM 315 C VAL A 23 -7.771 9.841 -1.564 1.00 0.73 C ATOM 316 O VAL A 23 -6.742 9.622 -0.943 1.00 1.02 O ATOM 317 CB VAL A 23 -7.334 9.695 -4.056 1.00 0.78 C ATOM 318 CG1 VAL A 23 -7.476 8.817 -5.291 1.00 1.48 C ATOM 319 CG2 VAL A 23 -7.831 11.099 -4.335 1.00 1.35 C ATOM 0 H VAL A 23 -9.887 9.407 -3.876 1.00 0.62 H new ATOM 0 HA VAL A 23 -7.700 8.057 -2.740 1.00 0.65 H new ATOM 0 HB VAL A 23 -6.276 9.756 -3.802 1.00 0.78 H new ATOM 0 HG11 VAL A 23 -6.944 9.274 -6.125 1.00 1.48 H new ATOM 0 HG12 VAL A 23 -7.055 7.832 -5.088 1.00 1.48 H new ATOM 0 HG13 VAL A 23 -8.531 8.715 -5.546 1.00 1.48 H new ATOM 0 HG21 VAL A 23 -7.291 11.514 -5.186 1.00 1.35 H new ATOM 0 HG22 VAL A 23 -8.897 11.069 -4.561 1.00 1.35 H new ATOM 0 HG23 VAL A 23 -7.663 11.725 -3.459 1.00 1.35 H new ATOM 329 N GLU A 24 -8.701 10.690 -1.135 1.00 0.66 N ATOM 330 CA GLU A 24 -8.528 11.444 0.101 1.00 0.76 C ATOM 331 C GLU A 24 -8.938 10.608 1.310 1.00 0.69 C ATOM 332 O GLU A 24 -8.760 11.024 2.454 1.00 0.80 O ATOM 333 CB GLU A 24 -9.359 12.726 0.094 1.00 0.99 C ATOM 334 CG GLU A 24 -10.845 12.477 -0.081 1.00 1.22 C ATOM 335 CD GLU A 24 -11.685 13.657 0.291 1.00 1.54 C ATOM 336 OE1 GLU A 24 -11.735 14.615 -0.488 1.00 1.89 O ATOM 337 OE2 GLU A 24 -12.286 13.670 1.373 1.00 2.03 O ATOM 0 H GLU A 24 -9.578 10.872 -1.623 1.00 0.66 H new ATOM 0 HA GLU A 24 -7.471 11.700 0.169 1.00 0.76 H new ATOM 0 HB2 GLU A 24 -9.195 13.262 1.029 1.00 0.99 H new ATOM 0 HB3 GLU A 24 -9.009 13.373 -0.710 1.00 0.99 H new ATOM 0 HG2 GLU A 24 -11.043 12.210 -1.119 1.00 1.22 H new ATOM 0 HG3 GLU A 24 -11.139 11.623 0.529 1.00 1.22 H new ATOM 344 N ASP A 25 -9.513 9.446 1.061 1.00 0.60 N ATOM 345 CA ASP A 25 -9.987 8.591 2.138 1.00 0.64 C ATOM 346 C ASP A 25 -8.821 7.872 2.752 1.00 0.55 C ATOM 347 O ASP A 25 -8.714 7.756 3.974 1.00 0.58 O ATOM 348 CB ASP A 25 -10.998 7.587 1.607 1.00 0.72 C ATOM 349 CG ASP A 25 -11.626 6.738 2.693 1.00 0.90 C ATOM 350 OD1 ASP A 25 -12.558 7.207 3.363 1.00 1.07 O ATOM 351 OD2 ASP A 25 -11.172 5.583 2.898 1.00 0.98 O ATOM 0 H ASP A 25 -9.664 9.071 0.124 1.00 0.60 H new ATOM 0 HA ASP A 25 -10.474 9.205 2.896 1.00 0.64 H new ATOM 0 HB2 ASP A 25 -11.784 8.121 1.073 1.00 0.72 H new ATOM 0 HB3 ASP A 25 -10.507 6.935 0.884 1.00 0.72 H new ATOM 356 N VAL A 26 -7.921 7.455 1.893 1.00 0.51 N ATOM 357 CA VAL A 26 -6.733 6.721 2.272 1.00 0.47 C ATOM 358 C VAL A 26 -5.744 7.629 3.001 1.00 0.47 C ATOM 359 O VAL A 26 -4.986 8.369 2.383 1.00 0.51 O ATOM 360 CB VAL A 26 -6.049 6.099 1.025 1.00 0.51 C ATOM 361 CG1 VAL A 26 -4.825 5.276 1.416 1.00 0.73 C ATOM 362 CG2 VAL A 26 -7.031 5.240 0.261 1.00 0.70 C ATOM 0 H VAL A 26 -7.994 7.619 0.889 1.00 0.51 H new ATOM 0 HA VAL A 26 -7.038 5.919 2.945 1.00 0.47 H new ATOM 0 HB VAL A 26 -5.716 6.916 0.385 1.00 0.51 H new ATOM 0 HG11 VAL A 26 -4.369 4.854 0.520 1.00 0.73 H new ATOM 0 HG12 VAL A 26 -4.103 5.916 1.924 1.00 0.73 H new ATOM 0 HG13 VAL A 26 -5.127 4.469 2.084 1.00 0.73 H new ATOM 0 HG21 VAL A 26 -6.537 4.811 -0.611 1.00 0.70 H new ATOM 0 HG22 VAL A 26 -7.391 4.438 0.906 1.00 0.70 H new ATOM 0 HG23 VAL A 26 -7.873 5.851 -0.063 1.00 0.70 H new ATOM 372 N LYS A 27 -5.869 7.657 4.294 1.00 0.49 N ATOM 373 CA LYS A 27 -4.949 8.347 5.158 1.00 0.54 C ATOM 374 C LYS A 27 -4.237 7.314 5.986 1.00 0.47 C ATOM 375 O LYS A 27 -4.655 6.173 6.008 1.00 0.51 O ATOM 376 CB LYS A 27 -5.663 9.387 6.022 1.00 0.65 C ATOM 377 CG LYS A 27 -6.290 10.500 5.201 1.00 0.83 C ATOM 378 CD LYS A 27 -6.867 11.594 6.070 1.00 1.53 C ATOM 379 CE LYS A 27 -7.452 12.711 5.223 1.00 2.02 C ATOM 380 NZ LYS A 27 -6.444 13.313 4.320 1.00 2.83 N ATOM 0 H LYS A 27 -6.628 7.192 4.792 1.00 0.49 H new ATOM 0 HA LYS A 27 -4.223 8.905 4.567 1.00 0.54 H new ATOM 0 HB2 LYS A 27 -6.437 8.895 6.610 1.00 0.65 H new ATOM 0 HB3 LYS A 27 -4.952 9.818 6.727 1.00 0.65 H new ATOM 0 HG2 LYS A 27 -5.539 10.925 4.535 1.00 0.83 H new ATOM 0 HG3 LYS A 27 -7.077 10.086 4.571 1.00 0.83 H new ATOM 0 HD2 LYS A 27 -7.641 11.180 6.716 1.00 1.53 H new ATOM 0 HD3 LYS A 27 -6.089 11.995 6.720 1.00 1.53 H new ATOM 0 HE2 LYS A 27 -8.280 12.321 4.632 1.00 2.02 H new ATOM 0 HE3 LYS A 27 -7.861 13.483 5.875 1.00 2.02 H new ATOM 0 HZ1 LYS A 27 -6.781 14.241 3.993 1.00 2.83 H new ATOM 0 HZ2 LYS A 27 -5.546 13.431 4.831 1.00 2.83 H new ATOM 0 HZ3 LYS A 27 -6.296 12.690 3.500 1.00 2.83 H new ATOM 394 N LEU A 28 -3.217 7.722 6.687 1.00 0.49 N ATOM 395 CA LEU A 28 -2.271 6.833 7.398 1.00 0.47 C ATOM 396 C LEU A 28 -2.935 5.799 8.334 1.00 0.50 C ATOM 397 O LEU A 28 -2.424 4.679 8.505 1.00 0.56 O ATOM 398 CB LEU A 28 -1.295 7.707 8.166 1.00 0.54 C ATOM 399 CG LEU A 28 -0.574 8.744 7.308 1.00 0.53 C ATOM 400 CD1 LEU A 28 0.242 9.679 8.162 1.00 1.07 C ATOM 401 CD2 LEU A 28 0.299 8.064 6.269 1.00 0.99 C ATOM 0 H LEU A 28 -2.992 8.711 6.798 1.00 0.49 H new ATOM 0 HA LEU A 28 -1.763 6.229 6.646 1.00 0.47 H new ATOM 0 HB2 LEU A 28 -1.834 8.222 8.962 1.00 0.54 H new ATOM 0 HB3 LEU A 28 -0.553 7.069 8.645 1.00 0.54 H new ATOM 0 HG LEU A 28 -1.328 9.336 6.789 1.00 0.53 H new ATOM 0 HD11 LEU A 28 0.745 10.407 7.526 1.00 1.07 H new ATOM 0 HD12 LEU A 28 -0.413 10.199 8.861 1.00 1.07 H new ATOM 0 HD13 LEU A 28 0.986 9.108 8.718 1.00 1.07 H new ATOM 0 HD21 LEU A 28 0.804 8.820 5.668 1.00 0.99 H new ATOM 0 HD22 LEU A 28 1.041 7.442 6.769 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -0.321 7.442 5.624 1.00 0.99 H new ATOM 413 N ASP A 29 -4.065 6.157 8.897 1.00 0.56 N ATOM 414 CA ASP A 29 -4.807 5.291 9.824 1.00 0.65 C ATOM 415 C ASP A 29 -5.627 4.212 9.100 1.00 0.61 C ATOM 416 O ASP A 29 -6.223 3.352 9.739 1.00 1.03 O ATOM 417 CB ASP A 29 -5.745 6.118 10.713 1.00 0.87 C ATOM 418 CG ASP A 29 -6.877 6.778 9.944 1.00 1.73 C ATOM 419 OD1 ASP A 29 -6.693 7.907 9.426 1.00 2.34 O ATOM 420 OD2 ASP A 29 -7.971 6.213 9.870 1.00 2.47 O ATOM 0 H ASP A 29 -4.510 7.060 8.733 1.00 0.56 H new ATOM 0 HA ASP A 29 -4.056 4.792 10.437 1.00 0.65 H new ATOM 0 HB2 ASP A 29 -6.167 5.472 11.483 1.00 0.87 H new ATOM 0 HB3 ASP A 29 -5.166 6.887 11.224 1.00 0.87 H new ATOM 425 N LYS A 30 -5.653 4.254 7.797 1.00 0.43 N ATOM 426 CA LYS A 30 -6.432 3.306 7.020 1.00 0.39 C ATOM 427 C LYS A 30 -5.636 2.036 6.731 1.00 0.38 C ATOM 428 O LYS A 30 -4.544 2.093 6.181 1.00 0.57 O ATOM 429 CB LYS A 30 -6.856 3.931 5.690 1.00 0.44 C ATOM 430 CG LYS A 30 -7.753 5.159 5.787 1.00 0.51 C ATOM 431 CD LYS A 30 -9.165 4.826 6.239 1.00 0.75 C ATOM 432 CE LYS A 30 -10.032 6.071 6.193 1.00 0.98 C ATOM 433 NZ LYS A 30 -11.447 5.802 6.488 1.00 1.06 N ATOM 0 H LYS A 30 -5.142 4.938 7.239 1.00 0.43 H new ATOM 0 HA LYS A 30 -7.311 3.048 7.610 1.00 0.39 H new ATOM 0 HB2 LYS A 30 -5.958 4.204 5.136 1.00 0.44 H new ATOM 0 HB3 LYS A 30 -7.374 3.172 5.103 1.00 0.44 H new ATOM 0 HG2 LYS A 30 -7.312 5.871 6.485 1.00 0.51 H new ATOM 0 HG3 LYS A 30 -7.794 5.650 4.815 1.00 0.51 H new ATOM 0 HD2 LYS A 30 -9.589 4.054 5.597 1.00 0.75 H new ATOM 0 HD3 LYS A 30 -9.146 4.423 7.252 1.00 0.75 H new ATOM 0 HE2 LYS A 30 -9.650 6.799 6.909 1.00 0.98 H new ATOM 0 HE3 LYS A 30 -9.953 6.525 5.205 1.00 0.98 H new ATOM 0 HZ1 LYS A 30 -11.986 6.690 6.441 1.00 1.06 H new ATOM 0 HZ2 LYS A 30 -11.825 5.130 5.790 1.00 1.06 H new ATOM 0 HZ3 LYS A 30 -11.532 5.396 7.442 1.00 1.06 H new ATOM 447 N SER A 31 -6.159 0.920 7.143 1.00 0.46 N ATOM 448 CA SER A 31 -5.620 -0.367 6.798 1.00 0.44 C ATOM 449 C SER A 31 -6.396 -0.886 5.607 1.00 0.45 C ATOM 450 O SER A 31 -7.603 -0.620 5.500 1.00 0.57 O ATOM 451 CB SER A 31 -5.686 -1.328 7.995 1.00 0.49 C ATOM 452 OG SER A 31 -5.368 -2.661 7.623 1.00 1.31 O ATOM 0 H SER A 31 -6.986 0.875 7.738 1.00 0.46 H new ATOM 0 HA SER A 31 -4.565 -0.284 6.535 1.00 0.44 H new ATOM 0 HB2 SER A 31 -4.995 -0.992 8.768 1.00 0.49 H new ATOM 0 HB3 SER A 31 -6.686 -1.301 8.428 1.00 0.49 H new ATOM 0 HG SER A 31 -4.394 -2.767 7.585 1.00 1.31 H new ATOM 458 N PHE A 32 -5.727 -1.648 4.747 1.00 0.41 N ATOM 459 CA PHE A 32 -6.269 -2.056 3.453 1.00 0.46 C ATOM 460 C PHE A 32 -7.559 -2.839 3.564 1.00 0.55 C ATOM 461 O PHE A 32 -8.463 -2.664 2.761 1.00 1.03 O ATOM 462 CB PHE A 32 -5.219 -2.798 2.635 1.00 0.51 C ATOM 463 CG PHE A 32 -4.057 -1.922 2.231 1.00 0.50 C ATOM 464 CD1 PHE A 32 -2.980 -1.729 3.081 1.00 0.52 C ATOM 465 CD2 PHE A 32 -4.049 -1.290 0.996 1.00 0.55 C ATOM 466 CE1 PHE A 32 -1.922 -0.926 2.709 1.00 0.58 C ATOM 467 CE2 PHE A 32 -2.993 -0.488 0.617 1.00 0.59 C ATOM 468 CZ PHE A 32 -1.927 -0.306 1.474 1.00 0.60 C ATOM 0 H PHE A 32 -4.788 -2.002 4.928 1.00 0.41 H new ATOM 0 HA PHE A 32 -6.531 -1.142 2.921 1.00 0.46 H new ATOM 0 HB2 PHE A 32 -4.846 -3.643 3.214 1.00 0.51 H new ATOM 0 HB3 PHE A 32 -5.687 -3.207 1.740 1.00 0.51 H new ATOM 0 HD1 PHE A 32 -2.969 -2.213 4.046 1.00 0.52 H new ATOM 0 HD2 PHE A 32 -4.881 -1.428 0.322 1.00 0.55 H new ATOM 0 HE1 PHE A 32 -1.090 -0.782 3.383 1.00 0.58 H new ATOM 0 HE2 PHE A 32 -3.000 -0.004 -0.348 1.00 0.59 H new ATOM 0 HZ PHE A 32 -1.098 0.320 1.180 1.00 0.60 H new ATOM 478 N THR A 33 -7.667 -3.658 4.557 1.00 0.47 N ATOM 479 CA THR A 33 -8.879 -4.376 4.739 1.00 0.50 C ATOM 480 C THR A 33 -9.290 -4.387 6.198 1.00 0.60 C ATOM 481 O THR A 33 -9.021 -5.324 6.961 1.00 1.13 O ATOM 482 CB THR A 33 -8.850 -5.782 4.086 1.00 0.65 C ATOM 483 OG1 THR A 33 -10.063 -6.494 4.351 1.00 1.37 O ATOM 484 CG2 THR A 33 -7.649 -6.609 4.522 1.00 1.21 C ATOM 0 H THR A 33 -6.939 -3.844 5.246 1.00 0.47 H new ATOM 0 HA THR A 33 -9.662 -3.843 4.200 1.00 0.50 H new ATOM 0 HB THR A 33 -8.757 -5.621 3.012 1.00 0.65 H new ATOM 0 HG1 THR A 33 -10.223 -7.145 3.636 1.00 1.37 H new ATOM 0 HG21 THR A 33 -7.681 -7.583 4.034 1.00 1.21 H new ATOM 0 HG22 THR A 33 -6.731 -6.093 4.242 1.00 1.21 H new ATOM 0 HG23 THR A 33 -7.674 -6.744 5.603 1.00 1.21 H new ATOM 492 N ASP A 34 -9.805 -3.253 6.598 1.00 0.55 N ATOM 493 CA ASP A 34 -10.351 -3.036 7.917 1.00 0.60 C ATOM 494 C ASP A 34 -10.967 -1.682 7.902 1.00 0.58 C ATOM 495 O ASP A 34 -12.150 -1.513 8.185 1.00 0.75 O ATOM 496 CB ASP A 34 -9.284 -3.106 9.012 1.00 0.72 C ATOM 497 CG ASP A 34 -9.890 -3.089 10.392 1.00 1.46 C ATOM 498 OD1 ASP A 34 -10.501 -4.088 10.803 1.00 1.58 O ATOM 499 OD2 ASP A 34 -9.782 -2.052 11.082 1.00 2.31 O ATOM 0 H ASP A 34 -9.859 -2.429 5.999 1.00 0.55 H new ATOM 0 HA ASP A 34 -11.075 -3.818 8.145 1.00 0.60 H new ATOM 0 HB2 ASP A 34 -8.694 -4.014 8.886 1.00 0.72 H new ATOM 0 HB3 ASP A 34 -8.600 -2.264 8.906 1.00 0.72 H new ATOM 504 N ASP A 35 -10.161 -0.720 7.512 1.00 0.48 N ATOM 505 CA ASP A 35 -10.616 0.654 7.373 1.00 0.50 C ATOM 506 C ASP A 35 -10.978 0.884 5.934 1.00 0.56 C ATOM 507 O ASP A 35 -12.037 1.412 5.625 1.00 0.86 O ATOM 508 CB ASP A 35 -9.523 1.656 7.760 1.00 0.47 C ATOM 509 CG ASP A 35 -8.946 1.424 9.119 1.00 0.99 C ATOM 510 OD1 ASP A 35 -9.502 1.913 10.122 1.00 1.47 O ATOM 511 OD2 ASP A 35 -7.913 0.752 9.200 1.00 1.67 O ATOM 0 H ASP A 35 -9.177 -0.862 7.283 1.00 0.48 H new ATOM 0 HA ASP A 35 -11.468 0.804 8.036 1.00 0.50 H new ATOM 0 HB2 ASP A 35 -8.722 1.609 7.022 1.00 0.47 H new ATOM 0 HB3 ASP A 35 -9.936 2.664 7.718 1.00 0.47 H new ATOM 516 N LEU A 36 -10.087 0.463 5.045 1.00 0.44 N ATOM 517 CA LEU A 36 -10.291 0.622 3.633 1.00 0.49 C ATOM 518 C LEU A 36 -11.250 -0.407 3.129 1.00 0.53 C ATOM 519 O LEU A 36 -11.382 -1.498 3.717 1.00 0.64 O ATOM 520 CB LEU A 36 -8.972 0.559 2.865 1.00 0.51 C ATOM 521 CG LEU A 36 -8.025 1.724 3.085 1.00 0.59 C ATOM 522 CD1 LEU A 36 -6.749 1.532 2.285 1.00 0.65 C ATOM 523 CD2 LEU A 36 -8.712 3.011 2.689 1.00 0.69 C ATOM 0 H LEU A 36 -9.210 0.005 5.293 1.00 0.44 H new ATOM 0 HA LEU A 36 -10.719 1.610 3.464 1.00 0.49 H new ATOM 0 HB2 LEU A 36 -8.456 -0.361 3.140 1.00 0.51 H new ATOM 0 HB3 LEU A 36 -9.196 0.493 1.800 1.00 0.51 H new ATOM 0 HG LEU A 36 -7.756 1.772 4.140 1.00 0.59 H new ATOM 0 HD11 LEU A 36 -6.082 2.377 2.455 1.00 0.65 H new ATOM 0 HD12 LEU A 36 -6.257 0.612 2.600 1.00 0.65 H new ATOM 0 HD13 LEU A 36 -6.991 1.469 1.224 1.00 0.65 H new ATOM 0 HD21 LEU A 36 -8.033 3.849 2.846 1.00 0.69 H new ATOM 0 HD22 LEU A 36 -8.993 2.964 1.637 1.00 0.69 H new ATOM 0 HD23 LEU A 36 -9.606 3.149 3.298 1.00 0.69 H new ATOM 535 N ASP A 37 -11.875 -0.099 2.035 1.00 0.63 N ATOM 536 CA ASP A 37 -12.908 -0.928 1.503 1.00 0.76 C ATOM 537 C ASP A 37 -12.365 -1.716 0.340 1.00 0.78 C ATOM 538 O ASP A 37 -12.546 -1.376 -0.829 1.00 1.33 O ATOM 539 CB ASP A 37 -14.150 -0.102 1.130 1.00 1.14 C ATOM 540 CG ASP A 37 -15.326 -0.942 0.676 1.00 1.49 C ATOM 541 OD1 ASP A 37 -16.055 -1.476 1.528 1.00 2.15 O ATOM 542 OD2 ASP A 37 -15.514 -1.126 -0.557 1.00 1.96 O ATOM 0 H ASP A 37 -11.681 0.738 1.485 1.00 0.63 H new ATOM 0 HA ASP A 37 -13.236 -1.634 2.265 1.00 0.76 H new ATOM 0 HB2 ASP A 37 -14.451 0.494 1.992 1.00 1.14 H new ATOM 0 HB3 ASP A 37 -13.886 0.597 0.336 1.00 1.14 H new ATOM 547 N VAL A 38 -11.544 -2.652 0.703 1.00 0.65 N ATOM 548 CA VAL A 38 -10.938 -3.618 -0.193 1.00 0.96 C ATOM 549 C VAL A 38 -11.249 -4.974 0.407 1.00 0.89 C ATOM 550 O VAL A 38 -11.332 -5.072 1.635 1.00 1.43 O ATOM 551 CB VAL A 38 -9.382 -3.441 -0.247 1.00 1.60 C ATOM 552 CG1 VAL A 38 -8.737 -4.392 -1.252 1.00 2.23 C ATOM 553 CG2 VAL A 38 -8.994 -2.004 -0.554 1.00 2.14 C ATOM 0 H VAL A 38 -11.258 -2.779 1.674 1.00 0.65 H new ATOM 0 HA VAL A 38 -11.321 -3.498 -1.207 1.00 0.96 H new ATOM 0 HB VAL A 38 -9.004 -3.692 0.744 1.00 1.60 H new ATOM 0 HG11 VAL A 38 -7.658 -4.237 -1.259 1.00 2.23 H new ATOM 0 HG12 VAL A 38 -8.954 -5.422 -0.969 1.00 2.23 H new ATOM 0 HG13 VAL A 38 -9.138 -4.197 -2.247 1.00 2.23 H new ATOM 0 HG21 VAL A 38 -7.908 -1.919 -0.584 1.00 2.14 H new ATOM 0 HG22 VAL A 38 -9.407 -1.714 -1.520 1.00 2.14 H new ATOM 0 HG23 VAL A 38 -9.388 -1.347 0.221 1.00 2.14 H new ATOM 563 N ASP A 39 -11.476 -5.992 -0.419 1.00 0.82 N ATOM 564 CA ASP A 39 -11.793 -7.340 0.085 1.00 1.15 C ATOM 565 C ASP A 39 -10.657 -7.861 0.957 1.00 1.18 C ATOM 566 O ASP A 39 -10.762 -7.821 2.175 1.00 2.04 O ATOM 567 CB ASP A 39 -12.142 -8.303 -1.057 1.00 1.60 C ATOM 568 CG ASP A 39 -12.676 -9.627 -0.562 1.00 2.37 C ATOM 569 OD1 ASP A 39 -13.619 -9.635 0.249 1.00 2.78 O ATOM 570 OD2 ASP A 39 -12.112 -10.675 -0.923 1.00 2.96 O ATOM 0 H ASP A 39 -11.448 -5.918 -1.436 1.00 0.82 H new ATOM 0 HA ASP A 39 -12.684 -7.273 0.710 1.00 1.15 H new ATOM 0 HB2 ASP A 39 -12.883 -7.837 -1.706 1.00 1.60 H new ATOM 0 HB3 ASP A 39 -11.253 -8.478 -1.663 1.00 1.60 H new ATOM 575 N SER A 40 -9.583 -8.314 0.327 1.00 0.85 N ATOM 576 CA SER A 40 -8.323 -8.648 1.013 1.00 0.86 C ATOM 577 C SER A 40 -7.260 -9.123 0.041 1.00 0.74 C ATOM 578 O SER A 40 -6.357 -8.372 -0.277 1.00 0.81 O ATOM 579 CB SER A 40 -8.478 -9.621 2.176 1.00 1.19 C ATOM 580 OG SER A 40 -8.950 -10.919 1.741 1.00 1.18 O ATOM 0 H SER A 40 -9.551 -8.465 -0.681 1.00 0.85 H new ATOM 0 HA SER A 40 -7.991 -7.710 1.458 1.00 0.86 H new ATOM 0 HB2 SER A 40 -7.520 -9.735 2.683 1.00 1.19 H new ATOM 0 HB3 SER A 40 -9.176 -9.207 2.904 1.00 1.19 H new ATOM 0 HG SER A 40 -9.034 -11.513 2.516 1.00 1.18 H new ATOM 585 N LEU A 41 -7.402 -10.349 -0.494 1.00 0.71 N ATOM 586 CA LEU A 41 -6.397 -10.903 -1.442 1.00 0.70 C ATOM 587 C LEU A 41 -6.240 -10.011 -2.670 1.00 0.65 C ATOM 588 O LEU A 41 -5.218 -9.995 -3.328 1.00 0.71 O ATOM 589 CB LEU A 41 -6.705 -12.344 -1.914 1.00 0.83 C ATOM 590 CG LEU A 41 -6.386 -13.504 -0.963 1.00 1.01 C ATOM 591 CD1 LEU A 41 -7.316 -13.538 0.214 1.00 1.29 C ATOM 592 CD2 LEU A 41 -6.417 -14.824 -1.712 1.00 1.34 C ATOM 0 H LEU A 41 -8.185 -10.972 -0.296 1.00 0.71 H new ATOM 0 HA LEU A 41 -5.468 -10.934 -0.872 1.00 0.70 H new ATOM 0 HB2 LEU A 41 -7.767 -12.395 -2.156 1.00 0.83 H new ATOM 0 HB3 LEU A 41 -6.158 -12.514 -2.841 1.00 0.83 H new ATOM 0 HG LEU A 41 -5.381 -13.343 -0.573 1.00 1.01 H new ATOM 0 HD11 LEU A 41 -7.054 -14.375 0.861 1.00 1.29 H new ATOM 0 HD12 LEU A 41 -7.230 -12.606 0.773 1.00 1.29 H new ATOM 0 HD13 LEU A 41 -8.341 -13.657 -0.136 1.00 1.29 H new ATOM 0 HD21 LEU A 41 -6.189 -15.638 -1.024 1.00 1.34 H new ATOM 0 HD22 LEU A 41 -7.408 -14.977 -2.139 1.00 1.34 H new ATOM 0 HD23 LEU A 41 -5.676 -14.806 -2.512 1.00 1.34 H new ATOM 604 N SER A 42 -7.257 -9.255 -2.938 1.00 0.65 N ATOM 605 CA SER A 42 -7.291 -8.334 -4.037 1.00 0.66 C ATOM 606 C SER A 42 -6.230 -7.218 -3.883 1.00 0.50 C ATOM 607 O SER A 42 -5.764 -6.649 -4.869 1.00 0.47 O ATOM 608 CB SER A 42 -8.684 -7.767 -4.095 1.00 0.84 C ATOM 609 OG SER A 42 -9.624 -8.837 -4.043 1.00 1.26 O ATOM 0 H SER A 42 -8.113 -9.259 -2.384 1.00 0.65 H new ATOM 0 HA SER A 42 -7.048 -8.847 -4.968 1.00 0.66 H new ATOM 0 HB2 SER A 42 -8.847 -7.082 -3.262 1.00 0.84 H new ATOM 0 HB3 SER A 42 -8.818 -7.192 -5.011 1.00 0.84 H new ATOM 0 HG SER A 42 -10.534 -8.475 -4.079 1.00 1.26 H new ATOM 615 N MET A 43 -5.814 -6.956 -2.649 1.00 0.45 N ATOM 616 CA MET A 43 -4.799 -5.951 -2.372 1.00 0.35 C ATOM 617 C MET A 43 -3.446 -6.453 -2.883 1.00 0.30 C ATOM 618 O MET A 43 -2.565 -5.683 -3.191 1.00 0.27 O ATOM 619 CB MET A 43 -4.769 -5.619 -0.865 1.00 0.39 C ATOM 620 CG MET A 43 -3.916 -4.411 -0.431 1.00 0.47 C ATOM 621 SD MET A 43 -2.122 -4.635 -0.543 1.00 0.97 S ATOM 622 CE MET A 43 -1.902 -6.058 0.513 1.00 0.54 C ATOM 0 H MET A 43 -6.169 -7.431 -1.819 1.00 0.45 H new ATOM 0 HA MET A 43 -5.036 -5.024 -2.894 1.00 0.35 H new ATOM 0 HB2 MET A 43 -5.794 -5.446 -0.536 1.00 0.39 H new ATOM 0 HB3 MET A 43 -4.407 -6.498 -0.332 1.00 0.39 H new ATOM 0 HG2 MET A 43 -4.195 -3.554 -1.043 1.00 0.47 H new ATOM 0 HG3 MET A 43 -4.169 -4.163 0.600 1.00 0.47 H new ATOM 0 HE1 MET A 43 -1.030 -5.907 1.150 1.00 0.54 H new ATOM 0 HE2 MET A 43 -2.787 -6.190 1.135 1.00 0.54 H new ATOM 0 HE3 MET A 43 -1.754 -6.947 -0.100 1.00 0.54 H new ATOM 632 N VAL A 44 -3.315 -7.756 -3.036 1.00 0.36 N ATOM 633 CA VAL A 44 -2.079 -8.341 -3.537 1.00 0.39 C ATOM 634 C VAL A 44 -1.816 -7.884 -4.991 1.00 0.37 C ATOM 635 O VAL A 44 -0.673 -7.824 -5.453 1.00 0.42 O ATOM 636 CB VAL A 44 -2.079 -9.886 -3.425 1.00 0.54 C ATOM 637 CG1 VAL A 44 -0.732 -10.484 -3.810 1.00 0.65 C ATOM 638 CG2 VAL A 44 -2.470 -10.296 -2.019 1.00 0.57 C ATOM 0 H VAL A 44 -4.047 -8.433 -2.822 1.00 0.36 H new ATOM 0 HA VAL A 44 -1.265 -7.981 -2.908 1.00 0.39 H new ATOM 0 HB VAL A 44 -2.812 -10.277 -4.130 1.00 0.54 H new ATOM 0 HG11 VAL A 44 -0.776 -11.569 -3.717 1.00 0.65 H new ATOM 0 HG12 VAL A 44 -0.496 -10.217 -4.840 1.00 0.65 H new ATOM 0 HG13 VAL A 44 0.042 -10.094 -3.148 1.00 0.65 H new ATOM 0 HG21 VAL A 44 -2.469 -11.383 -1.944 1.00 0.57 H new ATOM 0 HG22 VAL A 44 -1.755 -9.882 -1.307 1.00 0.57 H new ATOM 0 HG23 VAL A 44 -3.467 -9.918 -1.794 1.00 0.57 H new ATOM 648 N GLU A 45 -2.886 -7.501 -5.683 1.00 0.37 N ATOM 649 CA GLU A 45 -2.784 -6.957 -7.030 1.00 0.38 C ATOM 650 C GLU A 45 -2.353 -5.486 -6.956 1.00 0.31 C ATOM 651 O GLU A 45 -1.825 -4.920 -7.914 1.00 0.37 O ATOM 652 CB GLU A 45 -4.124 -7.066 -7.760 1.00 0.46 C ATOM 653 CG GLU A 45 -4.644 -8.482 -7.906 1.00 0.64 C ATOM 654 CD GLU A 45 -3.693 -9.373 -8.659 1.00 1.21 C ATOM 655 OE1 GLU A 45 -3.523 -9.188 -9.886 1.00 1.31 O ATOM 656 OE2 GLU A 45 -3.088 -10.262 -8.049 1.00 2.06 O ATOM 0 H GLU A 45 -3.840 -7.559 -5.327 1.00 0.37 H new ATOM 0 HA GLU A 45 -2.041 -7.531 -7.584 1.00 0.38 H new ATOM 0 HB2 GLU A 45 -4.865 -6.473 -7.224 1.00 0.46 H new ATOM 0 HB3 GLU A 45 -4.020 -6.626 -8.752 1.00 0.46 H new ATOM 0 HG2 GLU A 45 -4.824 -8.903 -6.917 1.00 0.64 H new ATOM 0 HG3 GLU A 45 -5.603 -8.461 -8.423 1.00 0.64 H new ATOM 663 N VAL A 46 -2.587 -4.886 -5.803 1.00 0.30 N ATOM 664 CA VAL A 46 -2.195 -3.514 -5.529 1.00 0.30 C ATOM 665 C VAL A 46 -0.717 -3.498 -5.236 1.00 0.29 C ATOM 666 O VAL A 46 0.050 -2.918 -5.975 1.00 0.39 O ATOM 667 CB VAL A 46 -2.942 -2.930 -4.277 1.00 0.51 C ATOM 668 CG1 VAL A 46 -2.499 -1.501 -3.983 1.00 0.91 C ATOM 669 CG2 VAL A 46 -4.444 -2.983 -4.443 1.00 1.43 C ATOM 0 H VAL A 46 -3.059 -5.342 -5.022 1.00 0.30 H new ATOM 0 HA VAL A 46 -2.450 -2.906 -6.397 1.00 0.30 H new ATOM 0 HB VAL A 46 -2.672 -3.560 -3.429 1.00 0.51 H new ATOM 0 HG11 VAL A 46 -3.035 -1.126 -3.111 1.00 0.91 H new ATOM 0 HG12 VAL A 46 -1.427 -1.486 -3.785 1.00 0.91 H new ATOM 0 HG13 VAL A 46 -2.718 -0.868 -4.843 1.00 0.91 H new ATOM 0 HG21 VAL A 46 -4.923 -2.570 -3.555 1.00 1.43 H new ATOM 0 HG22 VAL A 46 -4.734 -2.400 -5.317 1.00 1.43 H new ATOM 0 HG23 VAL A 46 -4.759 -4.018 -4.577 1.00 1.43 H new ATOM 679 N VAL A 47 -0.337 -4.177 -4.155 1.00 0.28 N ATOM 680 CA VAL A 47 1.043 -4.186 -3.644 1.00 0.33 C ATOM 681 C VAL A 47 2.110 -4.517 -4.712 1.00 0.31 C ATOM 682 O VAL A 47 3.149 -3.870 -4.749 1.00 0.35 O ATOM 683 CB VAL A 47 1.219 -5.086 -2.377 1.00 0.41 C ATOM 684 CG1 VAL A 47 0.929 -6.546 -2.668 1.00 0.39 C ATOM 685 CG2 VAL A 47 2.609 -4.919 -1.784 1.00 0.53 C ATOM 0 H VAL A 47 -0.980 -4.743 -3.601 1.00 0.28 H new ATOM 0 HA VAL A 47 1.221 -3.153 -3.343 1.00 0.33 H new ATOM 0 HB VAL A 47 0.486 -4.753 -1.642 1.00 0.41 H new ATOM 0 HG11 VAL A 47 1.064 -7.132 -1.759 1.00 0.39 H new ATOM 0 HG12 VAL A 47 -0.098 -6.650 -3.018 1.00 0.39 H new ATOM 0 HG13 VAL A 47 1.612 -6.906 -3.437 1.00 0.39 H new ATOM 0 HG21 VAL A 47 2.708 -5.555 -0.904 1.00 0.53 H new ATOM 0 HG22 VAL A 47 3.357 -5.205 -2.524 1.00 0.53 H new ATOM 0 HG23 VAL A 47 2.760 -3.878 -1.498 1.00 0.53 H new ATOM 695 N VAL A 48 1.825 -5.455 -5.606 1.00 0.29 N ATOM 696 CA VAL A 48 2.793 -5.824 -6.644 1.00 0.31 C ATOM 697 C VAL A 48 3.015 -4.649 -7.630 1.00 0.29 C ATOM 698 O VAL A 48 4.121 -4.411 -8.106 1.00 0.35 O ATOM 699 CB VAL A 48 2.373 -7.131 -7.396 1.00 0.37 C ATOM 700 CG1 VAL A 48 1.075 -6.960 -8.175 1.00 0.61 C ATOM 701 CG2 VAL A 48 3.490 -7.639 -8.294 1.00 0.65 C ATOM 0 H VAL A 48 0.946 -5.971 -5.639 1.00 0.29 H new ATOM 0 HA VAL A 48 3.741 -6.035 -6.150 1.00 0.31 H new ATOM 0 HB VAL A 48 2.187 -7.885 -6.631 1.00 0.37 H new ATOM 0 HG11 VAL A 48 0.827 -7.894 -8.679 1.00 0.61 H new ATOM 0 HG12 VAL A 48 0.271 -6.693 -7.489 1.00 0.61 H new ATOM 0 HG13 VAL A 48 1.197 -6.170 -8.916 1.00 0.61 H new ATOM 0 HG21 VAL A 48 3.165 -8.547 -8.801 1.00 0.65 H new ATOM 0 HG22 VAL A 48 3.736 -6.878 -9.035 1.00 0.65 H new ATOM 0 HG23 VAL A 48 4.372 -7.856 -7.691 1.00 0.65 H new ATOM 711 N ALA A 49 1.958 -3.881 -7.853 1.00 0.28 N ATOM 712 CA ALA A 49 2.001 -2.727 -8.730 1.00 0.28 C ATOM 713 C ALA A 49 2.475 -1.506 -7.951 1.00 0.27 C ATOM 714 O ALA A 49 2.849 -0.488 -8.523 1.00 0.32 O ATOM 715 CB ALA A 49 0.626 -2.475 -9.338 1.00 0.32 C ATOM 0 H ALA A 49 1.045 -4.044 -7.428 1.00 0.28 H new ATOM 0 HA ALA A 49 2.703 -2.920 -9.541 1.00 0.28 H new ATOM 0 HB1 ALA A 49 0.672 -1.606 -9.994 1.00 0.32 H new ATOM 0 HB2 ALA A 49 0.317 -3.348 -9.913 1.00 0.32 H new ATOM 0 HB3 ALA A 49 -0.096 -2.291 -8.542 1.00 0.32 H new ATOM 721 N ALA A 50 2.425 -1.624 -6.645 1.00 0.27 N ATOM 722 CA ALA A 50 2.818 -0.579 -5.733 1.00 0.30 C ATOM 723 C ALA A 50 4.300 -0.560 -5.554 1.00 0.29 C ATOM 724 O ALA A 50 4.934 0.466 -5.749 1.00 0.32 O ATOM 725 CB ALA A 50 2.158 -0.789 -4.393 1.00 0.36 C ATOM 0 H ALA A 50 2.102 -2.471 -6.177 1.00 0.27 H new ATOM 0 HA ALA A 50 2.501 0.375 -6.154 1.00 0.30 H new ATOM 0 HB1 ALA A 50 2.460 0.005 -3.710 1.00 0.36 H new ATOM 0 HB2 ALA A 50 1.075 -0.771 -4.514 1.00 0.36 H new ATOM 0 HB3 ALA A 50 2.461 -1.753 -3.985 1.00 0.36 H new ATOM 731 N GLU A 51 4.848 -1.702 -5.202 1.00 0.32 N ATOM 732 CA GLU A 51 6.260 -1.830 -4.926 1.00 0.39 C ATOM 733 C GLU A 51 7.106 -1.339 -6.117 1.00 0.39 C ATOM 734 O GLU A 51 8.010 -0.526 -5.943 1.00 0.47 O ATOM 735 CB GLU A 51 6.591 -3.271 -4.513 1.00 0.49 C ATOM 736 CG GLU A 51 6.218 -4.285 -5.549 1.00 0.36 C ATOM 737 CD GLU A 51 6.507 -5.699 -5.176 1.00 0.44 C ATOM 738 OE1 GLU A 51 7.406 -5.940 -4.357 1.00 0.78 O ATOM 739 OE2 GLU A 51 5.808 -6.587 -5.626 1.00 0.70 O ATOM 0 H GLU A 51 4.324 -2.571 -5.099 1.00 0.32 H new ATOM 0 HA GLU A 51 6.518 -1.187 -4.085 1.00 0.39 H new ATOM 0 HB2 GLU A 51 7.659 -3.347 -4.309 1.00 0.49 H new ATOM 0 HB3 GLU A 51 6.071 -3.504 -3.583 1.00 0.49 H new ATOM 0 HG2 GLU A 51 5.153 -4.191 -5.762 1.00 0.36 H new ATOM 0 HG3 GLU A 51 6.749 -4.052 -6.472 1.00 0.36 H new ATOM 746 N GLU A 52 6.736 -1.755 -7.323 1.00 0.36 N ATOM 747 CA GLU A 52 7.429 -1.327 -8.530 1.00 0.41 C ATOM 748 C GLU A 52 7.272 0.184 -8.753 1.00 0.38 C ATOM 749 O GLU A 52 8.222 0.866 -9.135 1.00 0.47 O ATOM 750 CB GLU A 52 6.928 -2.094 -9.756 1.00 0.49 C ATOM 751 CG GLU A 52 5.420 -2.053 -9.934 1.00 0.53 C ATOM 752 CD GLU A 52 4.977 -2.514 -11.289 1.00 0.73 C ATOM 753 OE1 GLU A 52 4.783 -3.732 -11.468 1.00 0.96 O ATOM 754 OE2 GLU A 52 4.808 -1.680 -12.199 1.00 0.94 O ATOM 0 H GLU A 52 5.956 -2.391 -7.490 1.00 0.36 H new ATOM 0 HA GLU A 52 8.488 -1.548 -8.393 1.00 0.41 H new ATOM 0 HB2 GLU A 52 7.401 -1.682 -10.648 1.00 0.49 H new ATOM 0 HB3 GLU A 52 7.247 -3.133 -9.677 1.00 0.49 H new ATOM 0 HG2 GLU A 52 4.953 -2.678 -9.173 1.00 0.53 H new ATOM 0 HG3 GLU A 52 5.068 -1.035 -9.770 1.00 0.53 H new ATOM 761 N ARG A 53 6.078 0.695 -8.464 1.00 0.32 N ATOM 762 CA ARG A 53 5.742 2.104 -8.638 1.00 0.36 C ATOM 763 C ARG A 53 6.608 2.975 -7.736 1.00 0.35 C ATOM 764 O ARG A 53 7.112 4.020 -8.152 1.00 0.48 O ATOM 765 CB ARG A 53 4.249 2.333 -8.303 1.00 0.46 C ATOM 766 CG ARG A 53 3.736 3.770 -8.462 1.00 1.11 C ATOM 767 CD ARG A 53 3.539 4.191 -9.924 1.00 1.21 C ATOM 768 NE ARG A 53 4.760 4.100 -10.726 1.00 2.17 N ATOM 769 CZ ARG A 53 5.460 5.147 -11.193 1.00 2.78 C ATOM 770 NH1 ARG A 53 5.091 6.395 -10.922 1.00 2.79 N ATOM 771 NH2 ARG A 53 6.536 4.929 -11.920 1.00 3.85 N ATOM 0 H ARG A 53 5.308 0.135 -8.098 1.00 0.32 H new ATOM 0 HA ARG A 53 5.928 2.379 -9.676 1.00 0.36 H new ATOM 0 HB2 ARG A 53 3.650 1.682 -8.940 1.00 0.46 H new ATOM 0 HB3 ARG A 53 4.076 2.018 -7.274 1.00 0.46 H new ATOM 0 HG2 ARG A 53 2.788 3.870 -7.933 1.00 1.11 H new ATOM 0 HG3 ARG A 53 4.440 4.453 -7.987 1.00 1.11 H new ATOM 0 HD2 ARG A 53 2.770 3.563 -10.374 1.00 1.21 H new ATOM 0 HD3 ARG A 53 3.170 5.216 -9.952 1.00 1.21 H new ATOM 0 HE ARG A 53 5.107 3.167 -10.948 1.00 2.17 H new ATOM 0 HH11 ARG A 53 4.264 6.570 -10.351 1.00 2.79 H new ATOM 0 HH12 ARG A 53 5.635 7.178 -11.285 1.00 2.79 H new ATOM 0 HH21 ARG A 53 6.829 3.973 -12.123 1.00 3.85 H new ATOM 0 HH22 ARG A 53 7.076 5.716 -12.280 1.00 3.85 H new ATOM 785 N PHE A 54 6.802 2.524 -6.517 1.00 0.29 N ATOM 786 CA PHE A 54 7.545 3.285 -5.533 1.00 0.30 C ATOM 787 C PHE A 54 9.031 2.958 -5.550 1.00 0.33 C ATOM 788 O PHE A 54 9.768 3.390 -4.662 1.00 0.40 O ATOM 789 CB PHE A 54 6.977 3.057 -4.135 1.00 0.31 C ATOM 790 CG PHE A 54 5.538 3.424 -4.029 1.00 0.30 C ATOM 791 CD1 PHE A 54 5.107 4.688 -4.365 1.00 0.35 C ATOM 792 CD2 PHE A 54 4.614 2.503 -3.583 1.00 0.35 C ATOM 793 CE1 PHE A 54 3.786 5.029 -4.255 1.00 0.39 C ATOM 794 CE2 PHE A 54 3.295 2.839 -3.472 1.00 0.38 C ATOM 795 CZ PHE A 54 2.877 4.100 -3.859 1.00 0.37 C ATOM 0 H PHE A 54 6.453 1.627 -6.180 1.00 0.29 H new ATOM 0 HA PHE A 54 7.437 4.336 -5.800 1.00 0.30 H new ATOM 0 HB2 PHE A 54 7.100 2.008 -3.864 1.00 0.31 H new ATOM 0 HB3 PHE A 54 7.550 3.642 -3.415 1.00 0.31 H new ATOM 0 HD1 PHE A 54 5.819 5.418 -4.719 1.00 0.35 H new ATOM 0 HD2 PHE A 54 4.936 1.507 -3.319 1.00 0.35 H new ATOM 0 HE1 PHE A 54 3.467 6.035 -4.483 1.00 0.39 H new ATOM 0 HE2 PHE A 54 2.583 2.125 -3.085 1.00 0.38 H new ATOM 0 HZ PHE A 54 1.826 4.346 -3.846 1.00 0.37 H new ATOM 805 N ASP A 55 9.467 2.196 -6.567 1.00 0.36 N ATOM 806 CA ASP A 55 10.893 1.811 -6.754 1.00 0.44 C ATOM 807 C ASP A 55 11.392 0.962 -5.587 1.00 0.46 C ATOM 808 O ASP A 55 12.598 0.928 -5.281 1.00 0.77 O ATOM 809 CB ASP A 55 11.820 3.048 -6.916 1.00 0.53 C ATOM 810 CG ASP A 55 11.529 3.901 -8.130 1.00 1.14 C ATOM 811 OD1 ASP A 55 11.859 3.483 -9.263 1.00 1.23 O ATOM 812 OD2 ASP A 55 11.029 5.046 -7.965 1.00 1.95 O ATOM 0 H ASP A 55 8.848 1.825 -7.288 1.00 0.36 H new ATOM 0 HA ASP A 55 10.933 1.227 -7.674 1.00 0.44 H new ATOM 0 HB2 ASP A 55 11.734 3.668 -6.024 1.00 0.53 H new ATOM 0 HB3 ASP A 55 12.854 2.706 -6.968 1.00 0.53 H new ATOM 817 N VAL A 56 10.501 0.228 -4.990 1.00 0.35 N ATOM 818 CA VAL A 56 10.825 -0.565 -3.841 1.00 0.40 C ATOM 819 C VAL A 56 10.532 -2.052 -4.151 1.00 0.52 C ATOM 820 O VAL A 56 10.113 -2.382 -5.264 1.00 1.14 O ATOM 821 CB VAL A 56 10.027 -0.047 -2.578 1.00 0.55 C ATOM 822 CG1 VAL A 56 8.528 -0.297 -2.682 1.00 1.00 C ATOM 823 CG2 VAL A 56 10.581 -0.566 -1.265 1.00 1.37 C ATOM 0 H VAL A 56 9.527 0.162 -5.286 1.00 0.35 H new ATOM 0 HA VAL A 56 11.885 -0.472 -3.607 1.00 0.40 H new ATOM 0 HB VAL A 56 10.175 1.033 -2.576 1.00 0.55 H new ATOM 0 HG11 VAL A 56 8.033 0.080 -1.787 1.00 1.00 H new ATOM 0 HG12 VAL A 56 8.133 0.217 -3.558 1.00 1.00 H new ATOM 0 HG13 VAL A 56 8.343 -1.367 -2.776 1.00 1.00 H new ATOM 0 HG21 VAL A 56 9.988 -0.173 -0.439 1.00 1.37 H new ATOM 0 HG22 VAL A 56 10.537 -1.655 -1.257 1.00 1.37 H new ATOM 0 HG23 VAL A 56 11.616 -0.244 -1.154 1.00 1.37 H new ATOM 833 N LYS A 57 10.770 -2.921 -3.209 1.00 0.41 N ATOM 834 CA LYS A 57 10.436 -4.303 -3.334 1.00 0.40 C ATOM 835 C LYS A 57 9.766 -4.730 -2.055 1.00 0.45 C ATOM 836 O LYS A 57 10.347 -4.610 -0.971 1.00 0.67 O ATOM 837 CB LYS A 57 11.680 -5.183 -3.641 1.00 0.57 C ATOM 838 CG LYS A 57 11.369 -6.682 -3.642 1.00 1.30 C ATOM 839 CD LYS A 57 10.236 -6.994 -4.602 1.00 1.77 C ATOM 840 CE LYS A 57 9.577 -8.321 -4.281 1.00 2.45 C ATOM 841 NZ LYS A 57 8.297 -8.477 -5.005 1.00 3.34 N ATOM 0 H LYS A 57 11.209 -2.680 -2.320 1.00 0.41 H new ATOM 0 HA LYS A 57 9.762 -4.439 -4.180 1.00 0.40 H new ATOM 0 HB2 LYS A 57 12.086 -4.901 -4.613 1.00 0.57 H new ATOM 0 HB3 LYS A 57 12.454 -4.979 -2.901 1.00 0.57 H new ATOM 0 HG2 LYS A 57 12.259 -7.243 -3.927 1.00 1.30 H new ATOM 0 HG3 LYS A 57 11.099 -7.003 -2.636 1.00 1.30 H new ATOM 0 HD2 LYS A 57 9.492 -6.198 -4.558 1.00 1.77 H new ATOM 0 HD3 LYS A 57 10.619 -7.016 -5.622 1.00 1.77 H new ATOM 0 HE2 LYS A 57 10.249 -9.137 -4.547 1.00 2.45 H new ATOM 0 HE3 LYS A 57 9.401 -8.391 -3.208 1.00 2.45 H new ATOM 0 HZ1 LYS A 57 7.964 -9.458 -4.914 1.00 3.34 H new ATOM 0 HZ2 LYS A 57 7.588 -7.832 -4.600 1.00 3.34 H new ATOM 0 HZ3 LYS A 57 8.437 -8.250 -6.010 1.00 3.34 H new ATOM 855 N ILE A 58 8.551 -5.177 -2.163 1.00 0.36 N ATOM 856 CA ILE A 58 7.802 -5.593 -1.005 1.00 0.42 C ATOM 857 C ILE A 58 7.532 -7.098 -1.079 1.00 0.46 C ATOM 858 O ILE A 58 6.712 -7.556 -1.879 1.00 0.52 O ATOM 859 CB ILE A 58 6.477 -4.802 -0.887 1.00 0.47 C ATOM 860 CG1 ILE A 58 6.777 -3.299 -0.901 1.00 0.48 C ATOM 861 CG2 ILE A 58 5.753 -5.177 0.409 1.00 0.55 C ATOM 862 CD1 ILE A 58 5.563 -2.432 -1.090 1.00 0.57 C ATOM 0 H ILE A 58 8.050 -5.265 -3.047 1.00 0.36 H new ATOM 0 HA ILE A 58 8.391 -5.382 -0.113 1.00 0.42 H new ATOM 0 HB ILE A 58 5.834 -5.051 -1.731 1.00 0.47 H new ATOM 0 HG12 ILE A 58 7.262 -3.027 0.037 1.00 0.48 H new ATOM 0 HG13 ILE A 58 7.488 -3.089 -1.700 1.00 0.48 H new ATOM 0 HG21 ILE A 58 4.822 -4.615 0.482 1.00 0.55 H new ATOM 0 HG22 ILE A 58 5.533 -6.245 0.407 1.00 0.55 H new ATOM 0 HG23 ILE A 58 6.388 -4.939 1.262 1.00 0.55 H new ATOM 0 HD11 ILE A 58 5.861 -1.383 -1.088 1.00 0.57 H new ATOM 0 HD12 ILE A 58 5.088 -2.673 -2.041 1.00 0.57 H new ATOM 0 HD13 ILE A 58 4.858 -2.610 -0.278 1.00 0.57 H new ATOM 874 N PRO A 59 8.275 -7.883 -0.288 1.00 0.47 N ATOM 875 CA PRO A 59 8.138 -9.345 -0.241 1.00 0.53 C ATOM 876 C PRO A 59 6.758 -9.785 0.272 1.00 0.53 C ATOM 877 O PRO A 59 6.160 -9.123 1.127 1.00 0.46 O ATOM 878 CB PRO A 59 9.262 -9.772 0.715 1.00 0.59 C ATOM 879 CG PRO A 59 10.186 -8.610 0.772 1.00 0.63 C ATOM 880 CD PRO A 59 9.318 -7.411 0.631 1.00 0.50 C ATOM 0 HA PRO A 59 8.216 -9.804 -1.226 1.00 0.53 H new ATOM 0 HB2 PRO A 59 8.869 -10.012 1.703 1.00 0.59 H new ATOM 0 HB3 PRO A 59 9.772 -10.663 0.350 1.00 0.59 H new ATOM 0 HG2 PRO A 59 10.735 -8.590 1.714 1.00 0.63 H new ATOM 0 HG3 PRO A 59 10.926 -8.656 -0.027 1.00 0.63 H new ATOM 0 HD2 PRO A 59 8.903 -7.095 1.588 1.00 0.50 H new ATOM 0 HD3 PRO A 59 9.864 -6.560 0.223 1.00 0.50 H new ATOM 888 N ASP A 60 6.295 -10.925 -0.231 1.00 0.68 N ATOM 889 CA ASP A 60 4.925 -11.445 0.000 1.00 0.77 C ATOM 890 C ASP A 60 4.582 -11.628 1.469 1.00 0.70 C ATOM 891 O ASP A 60 3.471 -11.312 1.904 1.00 0.69 O ATOM 892 CB ASP A 60 4.690 -12.771 -0.751 1.00 1.08 C ATOM 893 CG ASP A 60 4.660 -12.628 -2.259 1.00 1.50 C ATOM 894 OD1 ASP A 60 5.732 -12.711 -2.907 1.00 2.30 O ATOM 895 OD2 ASP A 60 3.568 -12.451 -2.830 1.00 1.84 O ATOM 0 H ASP A 60 6.860 -11.534 -0.823 1.00 0.68 H new ATOM 0 HA ASP A 60 4.260 -10.677 -0.395 1.00 0.77 H new ATOM 0 HB2 ASP A 60 5.476 -13.475 -0.479 1.00 1.08 H new ATOM 0 HB3 ASP A 60 3.746 -13.203 -0.418 1.00 1.08 H new ATOM 900 N ASP A 61 5.523 -12.105 2.238 1.00 0.75 N ATOM 901 CA ASP A 61 5.276 -12.352 3.662 1.00 0.85 C ATOM 902 C ASP A 61 5.397 -11.061 4.449 1.00 0.71 C ATOM 903 O ASP A 61 4.699 -10.845 5.434 1.00 0.79 O ATOM 904 CB ASP A 61 6.217 -13.426 4.206 1.00 1.13 C ATOM 905 CG ASP A 61 6.044 -13.694 5.680 1.00 1.80 C ATOM 906 OD1 ASP A 61 5.088 -14.410 6.055 1.00 2.31 O ATOM 907 OD2 ASP A 61 6.835 -13.155 6.498 1.00 2.38 O ATOM 0 H ASP A 61 6.465 -12.334 1.921 1.00 0.75 H new ATOM 0 HA ASP A 61 4.258 -12.725 3.775 1.00 0.85 H new ATOM 0 HB2 ASP A 61 6.053 -14.353 3.656 1.00 1.13 H new ATOM 0 HB3 ASP A 61 7.247 -13.122 4.019 1.00 1.13 H new ATOM 912 N ASP A 62 6.251 -10.179 3.971 1.00 0.60 N ATOM 913 CA ASP A 62 6.438 -8.856 4.576 1.00 0.62 C ATOM 914 C ASP A 62 5.177 -8.027 4.438 1.00 0.51 C ATOM 915 O ASP A 62 4.882 -7.192 5.283 1.00 0.61 O ATOM 916 CB ASP A 62 7.645 -8.120 3.981 1.00 0.74 C ATOM 917 CG ASP A 62 8.974 -8.666 4.463 1.00 0.82 C ATOM 918 OD1 ASP A 62 9.313 -9.823 4.117 1.00 1.52 O ATOM 919 OD2 ASP A 62 9.712 -7.956 5.172 1.00 1.17 O ATOM 0 H ASP A 62 6.838 -10.349 3.155 1.00 0.60 H new ATOM 0 HA ASP A 62 6.643 -9.005 5.636 1.00 0.62 H new ATOM 0 HB2 ASP A 62 7.604 -8.188 2.894 1.00 0.74 H new ATOM 0 HB3 ASP A 62 7.580 -7.062 4.237 1.00 0.74 H new ATOM 924 N VAL A 63 4.429 -8.287 3.369 1.00 0.43 N ATOM 925 CA VAL A 63 3.120 -7.677 3.149 1.00 0.46 C ATOM 926 C VAL A 63 2.199 -8.029 4.326 1.00 0.46 C ATOM 927 O VAL A 63 1.615 -7.162 4.952 1.00 0.55 O ATOM 928 CB VAL A 63 2.472 -8.217 1.833 1.00 0.53 C ATOM 929 CG1 VAL A 63 1.078 -7.646 1.631 1.00 0.79 C ATOM 930 CG2 VAL A 63 3.331 -7.898 0.627 1.00 0.73 C ATOM 0 H VAL A 63 4.714 -8.928 2.629 1.00 0.43 H new ATOM 0 HA VAL A 63 3.249 -6.598 3.067 1.00 0.46 H new ATOM 0 HB VAL A 63 2.397 -9.300 1.934 1.00 0.53 H new ATOM 0 HG11 VAL A 63 0.654 -8.040 0.708 1.00 0.79 H new ATOM 0 HG12 VAL A 63 0.444 -7.928 2.471 1.00 0.79 H new ATOM 0 HG13 VAL A 63 1.135 -6.559 1.569 1.00 0.79 H new ATOM 0 HG21 VAL A 63 2.854 -8.286 -0.273 1.00 0.73 H new ATOM 0 HG22 VAL A 63 3.447 -6.818 0.539 1.00 0.73 H new ATOM 0 HG23 VAL A 63 4.311 -8.360 0.746 1.00 0.73 H new ATOM 940 N LYS A 64 2.148 -9.320 4.647 1.00 0.46 N ATOM 941 CA LYS A 64 1.253 -9.872 5.683 1.00 0.55 C ATOM 942 C LYS A 64 1.608 -9.334 7.079 1.00 0.54 C ATOM 943 O LYS A 64 0.808 -9.435 8.024 1.00 0.63 O ATOM 944 CB LYS A 64 1.381 -11.393 5.709 1.00 0.68 C ATOM 945 CG LYS A 64 1.199 -12.073 4.366 1.00 0.77 C ATOM 946 CD LYS A 64 1.473 -13.561 4.491 1.00 0.99 C ATOM 947 CE LYS A 64 1.461 -14.269 3.147 1.00 1.17 C ATOM 948 NZ LYS A 64 0.154 -14.194 2.463 1.00 1.24 N ATOM 0 H LYS A 64 2.729 -10.026 4.195 1.00 0.46 H new ATOM 0 HA LYS A 64 0.235 -9.571 5.436 1.00 0.55 H new ATOM 0 HB2 LYS A 64 2.364 -11.653 6.101 1.00 0.68 H new ATOM 0 HB3 LYS A 64 0.644 -11.793 6.405 1.00 0.68 H new ATOM 0 HG2 LYS A 64 0.184 -11.912 4.003 1.00 0.77 H new ATOM 0 HG3 LYS A 64 1.874 -11.632 3.632 1.00 0.77 H new ATOM 0 HD2 LYS A 64 2.442 -13.710 4.968 1.00 0.99 H new ATOM 0 HD3 LYS A 64 0.724 -14.012 5.142 1.00 0.99 H new ATOM 0 HE2 LYS A 64 2.225 -13.831 2.506 1.00 1.17 H new ATOM 0 HE3 LYS A 64 1.729 -15.316 3.292 1.00 1.17 H new ATOM 0 HZ1 LYS A 64 0.199 -14.723 1.569 1.00 1.24 H new ATOM 0 HZ2 LYS A 64 -0.581 -14.606 3.073 1.00 1.24 H new ATOM 0 HZ3 LYS A 64 -0.078 -13.200 2.265 1.00 1.24 H new ATOM 962 N ASN A 65 2.799 -8.777 7.192 1.00 0.50 N ATOM 963 CA ASN A 65 3.310 -8.244 8.447 1.00 0.56 C ATOM 964 C ASN A 65 2.875 -6.818 8.686 1.00 0.52 C ATOM 965 O ASN A 65 2.932 -6.337 9.820 1.00 0.65 O ATOM 966 CB ASN A 65 4.839 -8.321 8.506 1.00 0.64 C ATOM 967 CG ASN A 65 5.367 -9.652 8.991 1.00 1.32 C ATOM 968 OD1 ASN A 65 5.592 -9.846 10.188 1.00 1.95 O ATOM 969 ND2 ASN A 65 5.562 -10.576 8.100 1.00 2.07 N ATOM 0 H ASN A 65 3.447 -8.679 6.410 1.00 0.50 H new ATOM 0 HA ASN A 65 2.886 -8.868 9.233 1.00 0.56 H new ATOM 0 HB2 ASN A 65 5.242 -8.122 7.513 1.00 0.64 H new ATOM 0 HB3 ASN A 65 5.208 -7.534 9.163 1.00 0.64 H new ATOM 0 HD21 ASN A 65 5.910 -11.492 8.383 1.00 2.07 H new ATOM 0 HD22 ASN A 65 5.367 -10.386 7.117 1.00 2.07 H new ATOM 976 N LEU A 66 2.427 -6.144 7.652 1.00 0.43 N ATOM 977 CA LEU A 66 2.038 -4.759 7.796 1.00 0.43 C ATOM 978 C LEU A 66 0.585 -4.668 8.174 1.00 0.43 C ATOM 979 O LEU A 66 -0.108 -5.680 8.212 1.00 0.47 O ATOM 980 CB LEU A 66 2.307 -3.980 6.522 1.00 0.44 C ATOM 981 CG LEU A 66 3.754 -3.946 6.051 1.00 0.50 C ATOM 982 CD1 LEU A 66 3.847 -3.113 4.811 1.00 0.57 C ATOM 983 CD2 LEU A 66 4.671 -3.391 7.133 1.00 0.60 C ATOM 0 H LEU A 66 2.323 -6.526 6.712 1.00 0.43 H new ATOM 0 HA LEU A 66 2.638 -4.315 8.590 1.00 0.43 H new ATOM 0 HB2 LEU A 66 1.697 -4.404 5.725 1.00 0.44 H new ATOM 0 HB3 LEU A 66 1.970 -2.954 6.670 1.00 0.44 H new ATOM 0 HG LEU A 66 4.078 -4.964 5.834 1.00 0.50 H new ATOM 0 HD11 LEU A 66 4.881 -3.085 4.468 1.00 0.57 H new ATOM 0 HD12 LEU A 66 3.219 -3.547 4.033 1.00 0.57 H new ATOM 0 HD13 LEU A 66 3.509 -2.100 5.027 1.00 0.57 H new ATOM 0 HD21 LEU A 66 5.698 -3.379 6.768 1.00 0.60 H new ATOM 0 HD22 LEU A 66 4.363 -2.376 7.385 1.00 0.60 H new ATOM 0 HD23 LEU A 66 4.609 -4.020 8.021 1.00 0.60 H new ATOM 995 N LYS A 67 0.117 -3.479 8.466 1.00 0.45 N ATOM 996 CA LYS A 67 -1.253 -3.303 8.871 1.00 0.50 C ATOM 997 C LYS A 67 -1.926 -2.186 8.082 1.00 0.43 C ATOM 998 O LYS A 67 -2.738 -2.438 7.194 1.00 0.52 O ATOM 999 CB LYS A 67 -1.323 -3.026 10.378 1.00 0.64 C ATOM 1000 CG LYS A 67 -0.695 -4.127 11.216 1.00 0.85 C ATOM 1001 CD LYS A 67 -0.676 -3.819 12.718 1.00 0.88 C ATOM 1002 CE LYS A 67 0.453 -2.860 13.150 1.00 1.86 C ATOM 1003 NZ LYS A 67 0.365 -1.504 12.562 1.00 2.69 N ATOM 0 H LYS A 67 0.666 -2.620 8.430 1.00 0.45 H new ATOM 0 HA LYS A 67 -1.794 -4.225 8.657 1.00 0.50 H new ATOM 0 HB2 LYS A 67 -0.820 -2.083 10.592 1.00 0.64 H new ATOM 0 HB3 LYS A 67 -2.366 -2.904 10.671 1.00 0.64 H new ATOM 0 HG2 LYS A 67 -1.242 -5.055 11.051 1.00 0.85 H new ATOM 0 HG3 LYS A 67 0.327 -4.294 10.875 1.00 0.85 H new ATOM 0 HD2 LYS A 67 -1.635 -3.385 13.001 1.00 0.88 H new ATOM 0 HD3 LYS A 67 -0.574 -4.754 13.269 1.00 0.88 H new ATOM 0 HE2 LYS A 67 0.442 -2.773 14.236 1.00 1.86 H new ATOM 0 HE3 LYS A 67 1.412 -3.300 12.875 1.00 1.86 H new ATOM 0 HZ1 LYS A 67 1.004 -0.862 13.073 1.00 2.69 H new ATOM 0 HZ2 LYS A 67 0.641 -1.542 11.560 1.00 2.69 H new ATOM 0 HZ3 LYS A 67 -0.612 -1.155 12.639 1.00 2.69 H new ATOM 1017 N THR A 68 -1.571 -0.966 8.374 1.00 0.37 N ATOM 1018 CA THR A 68 -2.203 0.170 7.748 1.00 0.35 C ATOM 1019 C THR A 68 -1.386 0.688 6.571 1.00 0.32 C ATOM 1020 O THR A 68 -0.299 0.169 6.279 1.00 0.33 O ATOM 1021 CB THR A 68 -2.412 1.313 8.765 1.00 0.38 C ATOM 1022 OG1 THR A 68 -1.148 1.640 9.372 1.00 0.36 O ATOM 1023 CG2 THR A 68 -3.403 0.915 9.845 1.00 0.46 C ATOM 0 H THR A 68 -0.842 -0.728 9.046 1.00 0.37 H new ATOM 0 HA THR A 68 -3.171 -0.168 7.379 1.00 0.35 H new ATOM 0 HB THR A 68 -2.814 2.177 8.236 1.00 0.38 H new ATOM 0 HG1 THR A 68 -0.825 0.872 9.888 1.00 0.36 H new ATOM 0 HG21 THR A 68 -3.529 1.741 10.546 1.00 0.46 H new ATOM 0 HG22 THR A 68 -4.364 0.678 9.388 1.00 0.46 H new ATOM 0 HG23 THR A 68 -3.029 0.041 10.378 1.00 0.46 H new ATOM 1031 N VAL A 69 -1.865 1.746 5.927 1.00 0.33 N ATOM 1032 CA VAL A 69 -1.106 2.390 4.875 1.00 0.33 C ATOM 1033 C VAL A 69 0.024 3.198 5.492 1.00 0.34 C ATOM 1034 O VAL A 69 1.011 3.523 4.835 1.00 0.36 O ATOM 1035 CB VAL A 69 -1.960 3.283 3.932 1.00 0.39 C ATOM 1036 CG1 VAL A 69 -3.013 2.468 3.217 1.00 0.66 C ATOM 1037 CG2 VAL A 69 -2.616 4.402 4.691 1.00 0.56 C ATOM 0 H VAL A 69 -2.773 2.171 6.118 1.00 0.33 H new ATOM 0 HA VAL A 69 -0.709 1.595 4.243 1.00 0.33 H new ATOM 0 HB VAL A 69 -1.284 3.711 3.192 1.00 0.39 H new ATOM 0 HG11 VAL A 69 -3.595 3.118 2.564 1.00 0.66 H new ATOM 0 HG12 VAL A 69 -2.531 1.693 2.621 1.00 0.66 H new ATOM 0 HG13 VAL A 69 -3.673 2.004 3.950 1.00 0.66 H new ATOM 0 HG21 VAL A 69 -3.206 5.010 4.005 1.00 0.56 H new ATOM 0 HG22 VAL A 69 -3.267 3.987 5.461 1.00 0.56 H new ATOM 0 HG23 VAL A 69 -1.851 5.022 5.158 1.00 0.56 H new ATOM 1047 N GLY A 70 -0.105 3.464 6.787 1.00 0.36 N ATOM 1048 CA GLY A 70 0.943 4.106 7.521 1.00 0.38 C ATOM 1049 C GLY A 70 2.075 3.135 7.731 1.00 0.39 C ATOM 1050 O GLY A 70 3.233 3.512 7.856 1.00 0.46 O ATOM 0 H GLY A 70 -0.933 3.238 7.338 1.00 0.36 H new ATOM 0 HA2 GLY A 70 1.297 4.983 6.979 1.00 0.38 H new ATOM 0 HA3 GLY A 70 0.567 4.456 8.482 1.00 0.38 H new ATOM 1054 N ASP A 71 1.744 1.867 7.759 1.00 0.42 N ATOM 1055 CA ASP A 71 2.755 0.841 7.902 1.00 0.50 C ATOM 1056 C ASP A 71 3.357 0.518 6.568 1.00 0.49 C ATOM 1057 O ASP A 71 4.542 0.200 6.468 1.00 0.58 O ATOM 1058 CB ASP A 71 2.196 -0.398 8.561 1.00 0.62 C ATOM 1059 CG ASP A 71 1.595 -0.071 9.885 1.00 0.82 C ATOM 1060 OD1 ASP A 71 2.254 0.605 10.707 1.00 1.00 O ATOM 1061 OD2 ASP A 71 0.415 -0.407 10.102 1.00 1.62 O ATOM 0 H ASP A 71 0.788 1.519 7.685 1.00 0.42 H new ATOM 0 HA ASP A 71 3.540 1.226 8.553 1.00 0.50 H new ATOM 0 HB2 ASP A 71 1.442 -0.849 7.916 1.00 0.62 H new ATOM 0 HB3 ASP A 71 2.988 -1.136 8.689 1.00 0.62 H new ATOM 1066 N ALA A 72 2.543 0.636 5.538 1.00 0.43 N ATOM 1067 CA ALA A 72 2.975 0.400 4.181 1.00 0.48 C ATOM 1068 C ALA A 72 4.032 1.414 3.808 1.00 0.44 C ATOM 1069 O ALA A 72 5.133 1.057 3.403 1.00 0.47 O ATOM 1070 CB ALA A 72 1.789 0.495 3.232 1.00 0.51 C ATOM 0 H ALA A 72 1.561 0.899 5.622 1.00 0.43 H new ATOM 0 HA ALA A 72 3.398 -0.601 4.103 1.00 0.48 H new ATOM 0 HB1 ALA A 72 2.125 0.316 2.211 1.00 0.51 H new ATOM 0 HB2 ALA A 72 1.044 -0.252 3.505 1.00 0.51 H new ATOM 0 HB3 ALA A 72 1.348 1.489 3.299 1.00 0.51 H new ATOM 1076 N THR A 73 3.697 2.677 4.016 1.00 0.40 N ATOM 1077 CA THR A 73 4.566 3.790 3.725 1.00 0.39 C ATOM 1078 C THR A 73 5.939 3.655 4.402 1.00 0.39 C ATOM 1079 O THR A 73 6.971 3.763 3.726 1.00 0.41 O ATOM 1080 CB THR A 73 3.882 5.110 4.124 1.00 0.37 C ATOM 1081 OG1 THR A 73 3.310 4.993 5.425 1.00 0.36 O ATOM 1082 CG2 THR A 73 2.798 5.470 3.142 1.00 0.46 C ATOM 0 H THR A 73 2.794 2.956 4.400 1.00 0.40 H new ATOM 0 HA THR A 73 4.749 3.793 2.651 1.00 0.39 H new ATOM 0 HB THR A 73 4.639 5.894 4.123 1.00 0.37 H new ATOM 0 HG1 THR A 73 2.435 4.557 5.360 1.00 0.36 H new ATOM 0 HG21 THR A 73 2.329 6.406 3.445 1.00 0.46 H new ATOM 0 HG22 THR A 73 3.231 5.586 2.148 1.00 0.46 H new ATOM 0 HG23 THR A 73 2.048 4.679 3.121 1.00 0.46 H new ATOM 1090 N LYS A 74 5.946 3.403 5.724 1.00 0.47 N ATOM 1091 CA LYS A 74 7.194 3.254 6.485 1.00 0.53 C ATOM 1092 C LYS A 74 8.096 2.159 5.921 1.00 0.48 C ATOM 1093 O LYS A 74 9.306 2.327 5.873 1.00 0.55 O ATOM 1094 CB LYS A 74 6.954 2.986 7.981 1.00 0.65 C ATOM 1095 CG LYS A 74 6.273 4.115 8.743 1.00 1.26 C ATOM 1096 CD LYS A 74 6.300 3.869 10.263 1.00 1.88 C ATOM 1097 CE LYS A 74 5.546 2.602 10.690 1.00 2.66 C ATOM 1098 NZ LYS A 74 4.101 2.678 10.395 1.00 3.54 N ATOM 0 H LYS A 74 5.100 3.299 6.285 1.00 0.47 H new ATOM 0 HA LYS A 74 7.698 4.215 6.382 1.00 0.53 H new ATOM 0 HB2 LYS A 74 6.347 2.086 8.079 1.00 0.65 H new ATOM 0 HB3 LYS A 74 7.913 2.777 8.454 1.00 0.65 H new ATOM 0 HG2 LYS A 74 6.770 5.059 8.518 1.00 1.26 H new ATOM 0 HG3 LYS A 74 5.240 4.210 8.407 1.00 1.26 H new ATOM 0 HD2 LYS A 74 7.336 3.795 10.593 1.00 1.88 H new ATOM 0 HD3 LYS A 74 5.865 4.730 10.771 1.00 1.88 H new ATOM 0 HE2 LYS A 74 5.973 1.739 10.179 1.00 2.66 H new ATOM 0 HE3 LYS A 74 5.688 2.442 11.759 1.00 2.66 H new ATOM 0 HZ1 LYS A 74 3.664 1.749 10.559 1.00 3.54 H new ATOM 0 HZ2 LYS A 74 3.657 3.384 11.016 1.00 3.54 H new ATOM 0 HZ3 LYS A 74 3.964 2.955 9.402 1.00 3.54 H new ATOM 1112 N TYR A 75 7.510 1.056 5.484 1.00 0.45 N ATOM 1113 CA TYR A 75 8.298 -0.051 4.954 1.00 0.44 C ATOM 1114 C TYR A 75 8.913 0.343 3.601 1.00 0.40 C ATOM 1115 O TYR A 75 10.086 0.055 3.312 1.00 0.48 O ATOM 1116 CB TYR A 75 7.425 -1.308 4.806 1.00 0.49 C ATOM 1117 CG TYR A 75 8.206 -2.559 4.456 1.00 0.50 C ATOM 1118 CD1 TYR A 75 8.797 -3.350 5.439 1.00 0.68 C ATOM 1119 CD2 TYR A 75 8.341 -2.951 3.134 1.00 0.52 C ATOM 1120 CE1 TYR A 75 9.492 -4.496 5.108 1.00 0.77 C ATOM 1121 CE2 TYR A 75 9.035 -4.089 2.794 1.00 0.61 C ATOM 1122 CZ TYR A 75 9.667 -4.842 3.847 1.00 0.69 C ATOM 1123 OH TYR A 75 10.293 -6.003 3.428 1.00 0.83 O ATOM 0 H TYR A 75 6.502 0.901 5.484 1.00 0.45 H new ATOM 0 HA TYR A 75 9.104 -0.276 5.652 1.00 0.44 H new ATOM 0 HB2 TYR A 75 6.886 -1.476 5.739 1.00 0.49 H new ATOM 0 HB3 TYR A 75 6.677 -1.130 4.033 1.00 0.49 H new ATOM 0 HD1 TYR A 75 8.710 -3.062 6.476 1.00 0.68 H new ATOM 0 HD2 TYR A 75 7.893 -2.352 2.355 1.00 0.52 H new ATOM 0 HE1 TYR A 75 9.898 -5.118 5.892 1.00 0.77 H new ATOM 0 HE2 TYR A 75 9.104 -4.409 1.765 1.00 0.61 H new ATOM 0 HH TYR A 75 10.382 -6.618 4.186 1.00 0.83 H new ATOM 1133 N ILE A 76 8.119 1.019 2.805 1.00 0.37 N ATOM 1134 CA ILE A 76 8.515 1.480 1.486 1.00 0.43 C ATOM 1135 C ILE A 76 9.653 2.492 1.575 1.00 0.52 C ATOM 1136 O ILE A 76 10.720 2.262 1.028 1.00 0.65 O ATOM 1137 CB ILE A 76 7.304 2.096 0.760 1.00 0.45 C ATOM 1138 CG1 ILE A 76 6.263 1.013 0.510 1.00 0.48 C ATOM 1139 CG2 ILE A 76 7.723 2.755 -0.555 1.00 0.59 C ATOM 1140 CD1 ILE A 76 4.964 1.544 0.001 1.00 0.55 C ATOM 0 H ILE A 76 7.163 1.271 3.055 1.00 0.37 H new ATOM 0 HA ILE A 76 8.875 0.623 0.917 1.00 0.43 H new ATOM 0 HB ILE A 76 6.874 2.873 1.392 1.00 0.45 H new ATOM 0 HG12 ILE A 76 6.661 0.297 -0.209 1.00 0.48 H new ATOM 0 HG13 ILE A 76 6.086 0.469 1.438 1.00 0.48 H new ATOM 0 HG21 ILE A 76 6.847 3.181 -1.044 1.00 0.59 H new ATOM 0 HG22 ILE A 76 8.445 3.546 -0.352 1.00 0.59 H new ATOM 0 HG23 ILE A 76 8.176 2.009 -1.208 1.00 0.59 H new ATOM 0 HD11 ILE A 76 4.270 0.718 -0.155 1.00 0.55 H new ATOM 0 HD12 ILE A 76 4.545 2.238 0.729 1.00 0.55 H new ATOM 0 HD13 ILE A 76 5.128 2.063 -0.943 1.00 0.55 H new ATOM 1152 N LEU A 77 9.432 3.602 2.276 1.00 0.52 N ATOM 1153 CA LEU A 77 10.444 4.661 2.379 1.00 0.71 C ATOM 1154 C LEU A 77 11.719 4.199 3.065 1.00 0.78 C ATOM 1155 O LEU A 77 12.791 4.741 2.829 1.00 0.96 O ATOM 1156 CB LEU A 77 9.861 5.984 2.951 1.00 0.86 C ATOM 1157 CG LEU A 77 9.100 5.939 4.296 1.00 0.88 C ATOM 1158 CD1 LEU A 77 10.021 5.712 5.485 1.00 1.74 C ATOM 1159 CD2 LEU A 77 8.285 7.204 4.477 1.00 0.99 C ATOM 0 H LEU A 77 8.567 3.795 2.780 1.00 0.52 H new ATOM 0 HA LEU A 77 10.750 4.898 1.360 1.00 0.71 H new ATOM 0 HB2 LEU A 77 10.686 6.688 3.061 1.00 0.86 H new ATOM 0 HB3 LEU A 77 9.186 6.398 2.203 1.00 0.86 H new ATOM 0 HG LEU A 77 8.428 5.082 4.259 1.00 0.88 H new ATOM 0 HD11 LEU A 77 9.432 5.690 6.402 1.00 1.74 H new ATOM 0 HD12 LEU A 77 10.543 4.762 5.365 1.00 1.74 H new ATOM 0 HD13 LEU A 77 10.749 6.521 5.541 1.00 1.74 H new ATOM 0 HD21 LEU A 77 7.753 7.161 5.428 1.00 0.99 H new ATOM 0 HD22 LEU A 77 8.949 8.068 4.471 1.00 0.99 H new ATOM 0 HD23 LEU A 77 7.566 7.293 3.663 1.00 0.99 H new ATOM 1171 N ASP A 78 11.601 3.164 3.853 1.00 0.71 N ATOM 1172 CA ASP A 78 12.763 2.582 4.522 1.00 0.84 C ATOM 1173 C ASP A 78 13.639 1.851 3.501 1.00 0.94 C ATOM 1174 O ASP A 78 14.863 1.960 3.515 1.00 1.09 O ATOM 1175 CB ASP A 78 12.313 1.625 5.632 1.00 0.91 C ATOM 1176 CG ASP A 78 13.450 0.893 6.304 1.00 1.15 C ATOM 1177 OD1 ASP A 78 14.104 1.460 7.200 1.00 1.32 O ATOM 1178 OD2 ASP A 78 13.689 -0.272 5.968 1.00 1.26 O ATOM 0 H ASP A 78 10.717 2.697 4.056 1.00 0.71 H new ATOM 0 HA ASP A 78 13.349 3.381 4.977 1.00 0.84 H new ATOM 0 HB2 ASP A 78 11.762 2.189 6.384 1.00 0.91 H new ATOM 0 HB3 ASP A 78 11.622 0.895 5.211 1.00 0.91 H new