USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 594 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 3 THR OG1 : rot 180:sc= 0.246 USER MOD Single : A 4 GLN : amide:sc= -0.399 X(o=-0.4,f=-0.02) USER MOD Single : A 16 ASN :FLIP amide:sc= -8.21! C(o=-9.1!,f=-8.2!) USER MOD Single : A 27 LYS NZ :NH3+ 164:sc= 1.25 (180deg=0.764) USER MOD Single : A 30 LYS NZ :NH3+ 174:sc= 2.37 (180deg=2.14) USER MOD Single : A 31 SER OG : rot 180:sc= -0.618 USER MOD Single : A 33 THR OG1 : rot 26:sc= 0.362 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.082 USER MOD Single : A 43 MET CE :methyl 157:sc= -2.49 (180deg=-4.57!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -166:sc=-0.00601 (180deg=-0.182) USER MOD Single : A 65 ASN : amide:sc= 0.988 K(o=0.99,f=-0.17) USER MOD Single : A 67 LYS NZ :NH3+ -170:sc=-0.000726 (180deg=-0.12) USER MOD Single : A 68 THR OG1 : rot -87:sc= 1.8 USER MOD Single : A 73 THR OG1 : rot 110:sc= 0.488 USER MOD Single : A 74 LYS NZ :NH3+ -168:sc= -0.0376 (180deg=-0.2) USER MOD Single : A 75 TYR OH : rot 25:sc= 0.136 USER MOD Single : A 79 HIS : no HD1:sc= -0.249 X(o=-0.25,f=0.05) USER MOD Single : A 80 GLN :FLIP amide:sc= -4.24! C(o=-5.8!,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 23 N THR A 3 10.450 -8.640 -0.689 1.00 0.54 N ATOM 24 CA THR A 3 9.918 -8.489 -2.005 1.00 0.48 C ATOM 25 C THR A 3 8.414 -8.243 -1.911 1.00 0.35 C ATOM 26 O THR A 3 7.874 -8.067 -0.811 1.00 0.35 O ATOM 27 CB THR A 3 10.231 -9.745 -2.892 1.00 0.59 C ATOM 28 OG1 THR A 3 9.845 -9.543 -4.262 1.00 0.66 O ATOM 29 CG2 THR A 3 9.538 -10.986 -2.352 1.00 0.66 C ATOM 0 HA THR A 3 10.392 -7.633 -2.485 1.00 0.48 H new ATOM 0 HB THR A 3 11.311 -9.891 -2.854 1.00 0.59 H new ATOM 0 HG1 THR A 3 10.057 -10.345 -4.783 1.00 0.66 H new ATOM 0 HG21 THR A 3 9.774 -11.840 -2.987 1.00 0.66 H new ATOM 0 HG22 THR A 3 9.883 -11.183 -1.337 1.00 0.66 H new ATOM 0 HG23 THR A 3 8.460 -10.826 -2.344 1.00 0.66 H new ATOM 37 N GLN A 4 7.769 -8.255 -3.051 1.00 0.32 N ATOM 38 CA GLN A 4 6.339 -8.057 -3.209 1.00 0.28 C ATOM 39 C GLN A 4 5.479 -8.929 -2.311 1.00 0.27 C ATOM 40 O GLN A 4 4.467 -8.449 -1.804 1.00 0.26 O ATOM 41 CB GLN A 4 5.948 -8.250 -4.673 1.00 0.33 C ATOM 42 CG GLN A 4 4.456 -8.186 -4.962 1.00 0.37 C ATOM 43 CD GLN A 4 3.798 -9.547 -5.141 1.00 0.39 C ATOM 44 OE1 GLN A 4 3.768 -10.083 -6.238 1.00 0.74 O ATOM 45 NE2 GLN A 4 3.229 -10.085 -4.087 1.00 0.48 N ATOM 0 H GLN A 4 8.244 -8.410 -3.940 1.00 0.32 H new ATOM 0 HA GLN A 4 6.140 -7.033 -2.893 1.00 0.28 H new ATOM 0 HB2 GLN A 4 6.450 -7.488 -5.269 1.00 0.33 H new ATOM 0 HB3 GLN A 4 6.325 -9.216 -5.008 1.00 0.33 H new ATOM 0 HG2 GLN A 4 3.961 -7.660 -4.146 1.00 0.37 H new ATOM 0 HG3 GLN A 4 4.297 -7.596 -5.865 1.00 0.37 H new ATOM 0 HE21 GLN A 4 3.273 -9.610 -3.185 1.00 0.48 H new ATOM 0 HE22 GLN A 4 2.743 -10.978 -4.170 1.00 0.48 H new ATOM 54 N GLU A 5 5.841 -10.201 -2.153 1.00 0.33 N ATOM 55 CA GLU A 5 5.048 -11.143 -1.349 1.00 0.40 C ATOM 56 C GLU A 5 4.785 -10.575 0.032 1.00 0.39 C ATOM 57 O GLU A 5 3.645 -10.475 0.454 1.00 0.55 O ATOM 58 CB GLU A 5 5.737 -12.494 -1.234 1.00 0.57 C ATOM 59 CG GLU A 5 6.084 -13.133 -2.564 1.00 0.85 C ATOM 60 CD GLU A 5 6.549 -14.548 -2.393 1.00 1.88 C ATOM 61 OE1 GLU A 5 7.692 -14.755 -1.936 1.00 2.37 O ATOM 62 OE2 GLU A 5 5.797 -15.486 -2.728 1.00 2.66 O ATOM 0 H GLU A 5 6.678 -10.608 -2.570 1.00 0.33 H new ATOM 0 HA GLU A 5 4.097 -11.290 -1.860 1.00 0.40 H new ATOM 0 HB2 GLU A 5 6.651 -12.374 -0.652 1.00 0.57 H new ATOM 0 HB3 GLU A 5 5.091 -13.172 -0.676 1.00 0.57 H new ATOM 0 HG2 GLU A 5 5.211 -13.113 -3.217 1.00 0.85 H new ATOM 0 HG3 GLU A 5 6.863 -12.550 -3.056 1.00 0.85 H new ATOM 69 N GLU A 6 5.853 -10.159 0.677 1.00 0.36 N ATOM 70 CA GLU A 6 5.837 -9.502 1.978 1.00 0.42 C ATOM 71 C GLU A 6 4.884 -8.330 1.986 1.00 0.32 C ATOM 72 O GLU A 6 4.026 -8.197 2.875 1.00 0.37 O ATOM 73 CB GLU A 6 7.229 -8.948 2.234 1.00 0.55 C ATOM 74 CG GLU A 6 7.370 -8.175 3.528 1.00 0.82 C ATOM 75 CD GLU A 6 8.730 -7.563 3.705 1.00 1.75 C ATOM 76 OE1 GLU A 6 9.096 -6.633 2.964 1.00 2.73 O ATOM 77 OE2 GLU A 6 9.461 -7.971 4.622 1.00 2.05 O ATOM 0 H GLU A 6 6.794 -10.270 0.301 1.00 0.36 H new ATOM 0 HA GLU A 6 5.527 -10.225 2.732 1.00 0.42 H new ATOM 0 HB2 GLU A 6 7.940 -9.775 2.240 1.00 0.55 H new ATOM 0 HB3 GLU A 6 7.505 -8.297 1.405 1.00 0.55 H new ATOM 0 HG2 GLU A 6 6.617 -7.387 3.557 1.00 0.82 H new ATOM 0 HG3 GLU A 6 7.166 -8.841 4.366 1.00 0.82 H new ATOM 84 N ILE A 7 5.024 -7.517 0.973 1.00 0.21 N ATOM 85 CA ILE A 7 4.366 -6.271 0.894 1.00 0.16 C ATOM 86 C ILE A 7 2.896 -6.473 0.681 1.00 0.14 C ATOM 87 O ILE A 7 2.110 -6.146 1.519 1.00 0.18 O ATOM 88 CB ILE A 7 4.967 -5.488 -0.260 1.00 0.13 C ATOM 89 CG1 ILE A 7 6.460 -5.318 -0.005 1.00 0.18 C ATOM 90 CG2 ILE A 7 4.281 -4.141 -0.385 1.00 0.17 C ATOM 91 CD1 ILE A 7 7.219 -4.746 -1.155 1.00 0.23 C ATOM 0 H ILE A 7 5.616 -7.722 0.168 1.00 0.21 H new ATOM 0 HA ILE A 7 4.496 -5.719 1.825 1.00 0.16 H new ATOM 0 HB ILE A 7 4.821 -6.025 -1.197 1.00 0.13 H new ATOM 0 HG12 ILE A 7 6.597 -4.673 0.863 1.00 0.18 H new ATOM 0 HG13 ILE A 7 6.886 -6.289 0.249 1.00 0.18 H new ATOM 0 HG21 ILE A 7 4.718 -3.586 -1.215 1.00 0.17 H new ATOM 0 HG22 ILE A 7 3.217 -4.290 -0.568 1.00 0.17 H new ATOM 0 HG23 ILE A 7 4.414 -3.578 0.539 1.00 0.17 H new ATOM 0 HD11 ILE A 7 8.272 -4.659 -0.888 1.00 0.23 H new ATOM 0 HD12 ILE A 7 7.117 -5.401 -2.020 1.00 0.23 H new ATOM 0 HD13 ILE A 7 6.823 -3.760 -1.398 1.00 0.23 H new ATOM 103 N VAL A 8 2.555 -7.035 -0.422 1.00 0.13 N ATOM 104 CA VAL A 8 1.158 -7.223 -0.798 1.00 0.15 C ATOM 105 C VAL A 8 0.380 -8.034 0.222 1.00 0.18 C ATOM 106 O VAL A 8 -0.748 -7.676 0.548 1.00 0.25 O ATOM 107 CB VAL A 8 1.017 -7.792 -2.225 1.00 0.18 C ATOM 108 CG1 VAL A 8 -0.437 -8.005 -2.610 1.00 0.27 C ATOM 109 CG2 VAL A 8 1.681 -6.861 -3.204 1.00 0.17 C ATOM 0 H VAL A 8 3.223 -7.387 -1.108 1.00 0.13 H new ATOM 0 HA VAL A 8 0.705 -6.231 -0.804 1.00 0.15 H new ATOM 0 HB VAL A 8 1.505 -8.766 -2.249 1.00 0.18 H new ATOM 0 HG11 VAL A 8 -0.490 -8.407 -3.622 1.00 0.27 H new ATOM 0 HG12 VAL A 8 -0.898 -8.708 -1.916 1.00 0.27 H new ATOM 0 HG13 VAL A 8 -0.967 -7.054 -2.569 1.00 0.27 H new ATOM 0 HG21 VAL A 8 1.582 -7.262 -4.213 1.00 0.17 H new ATOM 0 HG22 VAL A 8 1.205 -5.882 -3.155 1.00 0.17 H new ATOM 0 HG23 VAL A 8 2.738 -6.764 -2.954 1.00 0.17 H new ATOM 119 N ALA A 9 0.991 -9.075 0.764 1.00 0.18 N ATOM 120 CA ALA A 9 0.336 -9.867 1.784 1.00 0.22 C ATOM 121 C ALA A 9 0.050 -9.000 3.004 1.00 0.21 C ATOM 122 O ALA A 9 -1.065 -8.974 3.512 1.00 0.27 O ATOM 123 CB ALA A 9 1.195 -11.061 2.178 1.00 0.26 C ATOM 0 H ALA A 9 1.930 -9.387 0.516 1.00 0.18 H new ATOM 0 HA ALA A 9 -0.604 -10.243 1.381 1.00 0.22 H new ATOM 0 HB1 ALA A 9 0.682 -11.641 2.945 1.00 0.26 H new ATOM 0 HB2 ALA A 9 1.368 -11.689 1.304 1.00 0.26 H new ATOM 0 HB3 ALA A 9 2.151 -10.709 2.567 1.00 0.26 H new ATOM 129 N GLY A 10 1.039 -8.209 3.387 1.00 0.18 N ATOM 130 CA GLY A 10 0.933 -7.422 4.558 1.00 0.18 C ATOM 131 C GLY A 10 0.071 -6.224 4.389 1.00 0.15 C ATOM 132 O GLY A 10 -0.683 -5.866 5.282 1.00 0.16 O ATOM 0 H GLY A 10 1.922 -8.110 2.885 1.00 0.18 H new ATOM 0 HA2 GLY A 10 0.534 -8.037 5.365 1.00 0.18 H new ATOM 0 HA3 GLY A 10 1.929 -7.103 4.864 1.00 0.18 H new ATOM 136 N LEU A 11 0.164 -5.619 3.244 1.00 0.14 N ATOM 137 CA LEU A 11 -0.568 -4.446 2.917 1.00 0.13 C ATOM 138 C LEU A 11 -2.039 -4.797 2.852 1.00 0.14 C ATOM 139 O LEU A 11 -2.882 -4.042 3.323 1.00 0.16 O ATOM 140 CB LEU A 11 -0.070 -3.924 1.583 1.00 0.13 C ATOM 141 CG LEU A 11 0.285 -2.444 1.509 1.00 0.15 C ATOM 142 CD1 LEU A 11 0.851 -2.113 0.144 1.00 0.18 C ATOM 143 CD2 LEU A 11 -0.929 -1.601 1.788 1.00 0.20 C ATOM 0 H LEU A 11 0.772 -5.943 2.492 1.00 0.14 H new ATOM 0 HA LEU A 11 -0.429 -3.670 3.670 1.00 0.13 H new ATOM 0 HB2 LEU A 11 0.813 -4.499 1.302 1.00 0.13 H new ATOM 0 HB3 LEU A 11 -0.834 -4.127 0.833 1.00 0.13 H new ATOM 0 HG LEU A 11 1.040 -2.226 2.265 1.00 0.15 H new ATOM 0 HD11 LEU A 11 1.102 -1.053 0.101 1.00 0.18 H new ATOM 0 HD12 LEU A 11 1.749 -2.705 -0.031 1.00 0.18 H new ATOM 0 HD13 LEU A 11 0.110 -2.342 -0.622 1.00 0.18 H new ATOM 0 HD21 LEU A 11 -0.660 -0.546 1.732 1.00 0.20 H new ATOM 0 HD22 LEU A 11 -1.701 -1.819 1.050 1.00 0.20 H new ATOM 0 HD23 LEU A 11 -1.307 -1.826 2.785 1.00 0.20 H new ATOM 155 N ALA A 12 -2.331 -5.977 2.302 1.00 0.12 N ATOM 156 CA ALA A 12 -3.679 -6.485 2.258 1.00 0.13 C ATOM 157 C ALA A 12 -4.212 -6.601 3.665 1.00 0.11 C ATOM 158 O ALA A 12 -5.300 -6.115 3.951 1.00 0.13 O ATOM 159 CB ALA A 12 -3.724 -7.837 1.574 1.00 0.14 C ATOM 0 H ALA A 12 -1.637 -6.594 1.881 1.00 0.12 H new ATOM 0 HA ALA A 12 -4.298 -5.795 1.685 1.00 0.13 H new ATOM 0 HB1 ALA A 12 -4.752 -8.200 1.553 1.00 0.14 H new ATOM 0 HB2 ALA A 12 -3.352 -7.741 0.554 1.00 0.14 H new ATOM 0 HB3 ALA A 12 -3.101 -8.543 2.123 1.00 0.14 H new ATOM 165 N GLU A 13 -3.394 -7.196 4.545 1.00 0.12 N ATOM 166 CA GLU A 13 -3.722 -7.385 5.965 1.00 0.13 C ATOM 167 C GLU A 13 -4.082 -6.088 6.632 1.00 0.15 C ATOM 168 O GLU A 13 -5.079 -5.995 7.354 1.00 0.19 O ATOM 169 CB GLU A 13 -2.579 -8.036 6.714 1.00 0.18 C ATOM 170 CG GLU A 13 -2.286 -9.452 6.294 1.00 0.23 C ATOM 171 CD GLU A 13 -1.100 -10.012 7.044 1.00 0.36 C ATOM 172 OE1 GLU A 13 -1.206 -10.341 8.252 1.00 0.68 O ATOM 173 OE2 GLU A 13 -0.030 -10.209 6.421 1.00 0.52 O ATOM 0 H GLU A 13 -2.478 -7.563 4.288 1.00 0.12 H new ATOM 0 HA GLU A 13 -4.589 -8.045 5.997 1.00 0.13 H new ATOM 0 HB2 GLU A 13 -1.680 -7.435 6.574 1.00 0.18 H new ATOM 0 HB3 GLU A 13 -2.807 -8.026 7.780 1.00 0.18 H new ATOM 0 HG2 GLU A 13 -3.161 -10.076 6.475 1.00 0.23 H new ATOM 0 HG3 GLU A 13 -2.089 -9.483 5.222 1.00 0.23 H new ATOM 180 N ILE A 14 -3.288 -5.087 6.376 1.00 0.14 N ATOM 181 CA ILE A 14 -3.527 -3.763 6.922 1.00 0.17 C ATOM 182 C ILE A 14 -4.901 -3.241 6.460 1.00 0.18 C ATOM 183 O ILE A 14 -5.689 -2.741 7.260 1.00 0.22 O ATOM 184 CB ILE A 14 -2.420 -2.795 6.470 1.00 0.21 C ATOM 185 CG1 ILE A 14 -1.068 -3.317 6.933 1.00 0.21 C ATOM 186 CG2 ILE A 14 -2.664 -1.415 7.057 1.00 0.28 C ATOM 187 CD1 ILE A 14 0.089 -2.714 6.208 1.00 0.25 C ATOM 0 H ILE A 14 -2.458 -5.156 5.787 1.00 0.14 H new ATOM 0 HA ILE A 14 -3.518 -3.826 8.010 1.00 0.17 H new ATOM 0 HB ILE A 14 -2.429 -2.724 5.382 1.00 0.21 H new ATOM 0 HG12 ILE A 14 -0.959 -3.121 8.000 1.00 0.21 H new ATOM 0 HG13 ILE A 14 -1.043 -4.399 6.803 1.00 0.21 H new ATOM 0 HG21 ILE A 14 -1.875 -0.737 6.732 1.00 0.28 H new ATOM 0 HG22 ILE A 14 -3.629 -1.040 6.716 1.00 0.28 H new ATOM 0 HG23 ILE A 14 -2.663 -1.477 8.145 1.00 0.28 H new ATOM 0 HD11 ILE A 14 1.018 -3.135 6.592 1.00 0.25 H new ATOM 0 HD12 ILE A 14 0.005 -2.932 5.143 1.00 0.25 H new ATOM 0 HD13 ILE A 14 0.090 -1.634 6.358 1.00 0.25 H new ATOM 199 N VAL A 15 -5.210 -3.452 5.193 1.00 0.15 N ATOM 200 CA VAL A 15 -6.444 -2.953 4.606 1.00 0.17 C ATOM 201 C VAL A 15 -7.642 -3.758 5.140 1.00 0.18 C ATOM 202 O VAL A 15 -8.789 -3.288 5.137 1.00 0.22 O ATOM 203 CB VAL A 15 -6.411 -2.965 3.039 1.00 0.17 C ATOM 204 CG1 VAL A 15 -7.675 -2.381 2.460 1.00 0.27 C ATOM 205 CG2 VAL A 15 -5.227 -2.187 2.516 1.00 0.23 C ATOM 0 H VAL A 15 -4.618 -3.971 4.544 1.00 0.15 H new ATOM 0 HA VAL A 15 -6.552 -1.910 4.904 1.00 0.17 H new ATOM 0 HB VAL A 15 -6.325 -4.007 2.731 1.00 0.17 H new ATOM 0 HG11 VAL A 15 -7.621 -2.404 1.372 1.00 0.27 H new ATOM 0 HG12 VAL A 15 -8.532 -2.966 2.793 1.00 0.27 H new ATOM 0 HG13 VAL A 15 -7.787 -1.350 2.796 1.00 0.27 H new ATOM 0 HG21 VAL A 15 -5.228 -2.211 1.426 1.00 0.23 H new ATOM 0 HG22 VAL A 15 -5.292 -1.153 2.856 1.00 0.23 H new ATOM 0 HG23 VAL A 15 -4.305 -2.634 2.888 1.00 0.23 H new ATOM 215 N ASN A 16 -7.366 -4.967 5.599 1.00 0.16 N ATOM 216 CA ASN A 16 -8.401 -5.823 6.213 1.00 0.20 C ATOM 217 C ASN A 16 -8.864 -5.188 7.503 1.00 0.25 C ATOM 218 O ASN A 16 -10.058 -5.133 7.791 1.00 0.34 O ATOM 219 CB ASN A 16 -7.903 -7.253 6.572 1.00 0.20 C ATOM 220 CG ASN A 16 -7.192 -7.998 5.494 1.00 0.19 C ATOM 221 OD1 ASN A 16 -7.557 -7.774 4.305 1.00 0.21 O flip ATOM 222 ND2 ASN A 16 -6.330 -8.811 5.752 1.00 0.27 N flip ATOM 0 H ASN A 16 -6.438 -5.390 5.564 1.00 0.16 H new ATOM 0 HA ASN A 16 -9.194 -5.913 5.470 1.00 0.20 H new ATOM 0 HB2 ASN A 16 -7.237 -7.177 7.431 1.00 0.20 H new ATOM 0 HB3 ASN A 16 -8.762 -7.845 6.887 1.00 0.20 H new ATOM 0 HD21 ASN A 16 -6.054 -8.972 6.721 1.00 0.27 H new ATOM 0 HD22 ASN A 16 -5.880 -9.334 5.000 1.00 0.27 H new ATOM 229 N GLU A 17 -7.911 -4.698 8.268 1.00 0.26 N ATOM 230 CA GLU A 17 -8.186 -4.117 9.566 1.00 0.35 C ATOM 231 C GLU A 17 -8.687 -2.685 9.435 1.00 0.38 C ATOM 232 O GLU A 17 -9.706 -2.321 10.016 1.00 0.47 O ATOM 233 CB GLU A 17 -6.928 -4.158 10.441 1.00 0.41 C ATOM 234 CG GLU A 17 -6.310 -5.542 10.564 1.00 0.46 C ATOM 235 CD GLU A 17 -7.288 -6.576 11.059 1.00 1.22 C ATOM 236 OE1 GLU A 17 -7.456 -6.723 12.279 1.00 1.35 O ATOM 237 OE2 GLU A 17 -7.902 -7.264 10.234 1.00 2.07 O ATOM 0 H GLU A 17 -6.925 -4.691 8.008 1.00 0.26 H new ATOM 0 HA GLU A 17 -8.971 -4.707 10.040 1.00 0.35 H new ATOM 0 HB2 GLU A 17 -6.186 -3.475 10.027 1.00 0.41 H new ATOM 0 HB3 GLU A 17 -7.178 -3.792 11.437 1.00 0.41 H new ATOM 0 HG2 GLU A 17 -5.923 -5.850 9.593 1.00 0.46 H new ATOM 0 HG3 GLU A 17 -5.460 -5.496 11.245 1.00 0.46 H new ATOM 244 N ILE A 18 -7.970 -1.894 8.660 1.00 0.32 N ATOM 245 CA ILE A 18 -8.284 -0.480 8.449 1.00 0.38 C ATOM 246 C ILE A 18 -9.663 -0.304 7.779 1.00 0.39 C ATOM 247 O ILE A 18 -10.524 0.406 8.291 1.00 0.43 O ATOM 248 CB ILE A 18 -7.189 0.145 7.537 1.00 0.45 C ATOM 249 CG1 ILE A 18 -5.806 0.187 8.229 1.00 0.47 C ATOM 250 CG2 ILE A 18 -7.590 1.515 7.049 1.00 0.65 C ATOM 251 CD1 ILE A 18 -5.630 1.237 9.301 1.00 0.58 C ATOM 0 H ILE A 18 -7.144 -2.210 8.151 1.00 0.32 H new ATOM 0 HA ILE A 18 -8.311 0.018 9.418 1.00 0.38 H new ATOM 0 HB ILE A 18 -7.097 -0.508 6.669 1.00 0.45 H new ATOM 0 HG12 ILE A 18 -5.614 -0.790 8.672 1.00 0.47 H new ATOM 0 HG13 ILE A 18 -5.045 0.346 7.465 1.00 0.47 H new ATOM 0 HG21 ILE A 18 -6.801 1.921 6.415 1.00 0.65 H new ATOM 0 HG22 ILE A 18 -8.514 1.441 6.476 1.00 0.65 H new ATOM 0 HG23 ILE A 18 -7.744 2.175 7.903 1.00 0.65 H new ATOM 0 HD11 ILE A 18 -4.623 1.171 9.713 1.00 0.58 H new ATOM 0 HD12 ILE A 18 -5.781 2.226 8.869 1.00 0.58 H new ATOM 0 HD13 ILE A 18 -6.359 1.072 10.095 1.00 0.58 H new ATOM 263 N ALA A 19 -9.869 -0.963 6.662 1.00 0.39 N ATOM 264 CA ALA A 19 -11.113 -0.810 5.930 1.00 0.44 C ATOM 265 C ALA A 19 -11.983 -2.024 6.139 1.00 0.41 C ATOM 266 O ALA A 19 -12.960 -1.992 6.877 1.00 0.54 O ATOM 267 CB ALA A 19 -10.833 -0.593 4.442 1.00 0.48 C ATOM 0 H ALA A 19 -9.199 -1.606 6.240 1.00 0.39 H new ATOM 0 HA ALA A 19 -11.641 0.066 6.306 1.00 0.44 H new ATOM 0 HB1 ALA A 19 -11.776 -0.480 3.907 1.00 0.48 H new ATOM 0 HB2 ALA A 19 -10.232 0.307 4.312 1.00 0.48 H new ATOM 0 HB3 ALA A 19 -10.291 -1.451 4.045 1.00 0.48 H new ATOM 273 N GLY A 20 -11.585 -3.097 5.524 1.00 0.34 N ATOM 274 CA GLY A 20 -12.307 -4.336 5.645 1.00 0.33 C ATOM 275 C GLY A 20 -12.194 -5.169 4.416 1.00 0.32 C ATOM 276 O GLY A 20 -13.131 -5.864 4.031 1.00 0.43 O ATOM 0 H GLY A 20 -10.758 -3.143 4.928 1.00 0.34 H new ATOM 0 HA2 GLY A 20 -11.926 -4.896 6.499 1.00 0.33 H new ATOM 0 HA3 GLY A 20 -13.358 -4.126 5.845 1.00 0.33 H new ATOM 280 N ILE A 21 -11.051 -5.099 3.789 1.00 0.27 N ATOM 281 CA ILE A 21 -10.786 -5.884 2.612 1.00 0.26 C ATOM 282 C ILE A 21 -10.583 -7.349 3.008 1.00 0.25 C ATOM 283 O ILE A 21 -10.179 -7.617 4.114 1.00 0.24 O ATOM 284 CB ILE A 21 -9.574 -5.289 1.821 1.00 0.25 C ATOM 285 CG1 ILE A 21 -10.065 -4.401 0.658 1.00 0.26 C ATOM 286 CG2 ILE A 21 -8.554 -6.330 1.364 1.00 0.31 C ATOM 287 CD1 ILE A 21 -10.910 -3.216 1.087 1.00 0.29 C ATOM 0 H ILE A 21 -10.279 -4.498 4.078 1.00 0.27 H new ATOM 0 HA ILE A 21 -11.641 -5.847 1.937 1.00 0.26 H new ATOM 0 HB ILE A 21 -9.027 -4.663 2.526 1.00 0.25 H new ATOM 0 HG12 ILE A 21 -9.199 -4.034 0.107 1.00 0.26 H new ATOM 0 HG13 ILE A 21 -10.645 -5.014 -0.032 1.00 0.26 H new ATOM 0 HG21 ILE A 21 -7.747 -5.836 0.824 1.00 0.31 H new ATOM 0 HG22 ILE A 21 -8.146 -6.846 2.233 1.00 0.31 H new ATOM 0 HG23 ILE A 21 -9.040 -7.052 0.708 1.00 0.31 H new ATOM 0 HD11 ILE A 21 -11.212 -2.647 0.208 1.00 0.29 H new ATOM 0 HD12 ILE A 21 -11.797 -3.572 1.611 1.00 0.29 H new ATOM 0 HD13 ILE A 21 -10.329 -2.576 1.751 1.00 0.29 H new ATOM 299 N PRO A 22 -10.913 -8.290 2.134 1.00 0.29 N ATOM 300 CA PRO A 22 -10.799 -9.742 2.406 1.00 0.35 C ATOM 301 C PRO A 22 -9.422 -10.366 2.044 1.00 0.45 C ATOM 302 O PRO A 22 -9.349 -11.527 1.663 1.00 1.08 O ATOM 303 CB PRO A 22 -11.861 -10.323 1.478 1.00 0.37 C ATOM 304 CG PRO A 22 -12.542 -9.153 0.827 1.00 0.44 C ATOM 305 CD PRO A 22 -11.545 -8.065 0.840 1.00 0.34 C ATOM 0 HA PRO A 22 -10.916 -9.947 3.470 1.00 0.35 H new ATOM 0 HB2 PRO A 22 -11.409 -10.974 0.730 1.00 0.37 H new ATOM 0 HB3 PRO A 22 -12.576 -10.927 2.036 1.00 0.37 H new ATOM 0 HG2 PRO A 22 -12.849 -9.393 -0.191 1.00 0.44 H new ATOM 0 HG3 PRO A 22 -13.442 -8.868 1.372 1.00 0.44 H new ATOM 0 HD2 PRO A 22 -10.837 -8.143 0.015 1.00 0.34 H new ATOM 0 HD3 PRO A 22 -12.007 -7.080 0.771 1.00 0.34 H new ATOM 313 N VAL A 23 -8.366 -9.569 2.161 1.00 0.39 N ATOM 314 CA VAL A 23 -6.917 -9.946 1.964 1.00 0.32 C ATOM 315 C VAL A 23 -6.534 -10.528 0.563 1.00 0.42 C ATOM 316 O VAL A 23 -5.356 -10.685 0.245 1.00 0.81 O ATOM 317 CB VAL A 23 -6.326 -10.828 3.153 1.00 0.31 C ATOM 318 CG1 VAL A 23 -6.790 -12.276 3.126 1.00 0.41 C ATOM 319 CG2 VAL A 23 -4.806 -10.742 3.255 1.00 0.33 C ATOM 0 H VAL A 23 -8.472 -8.585 2.408 1.00 0.39 H new ATOM 0 HA VAL A 23 -6.423 -8.975 1.991 1.00 0.32 H new ATOM 0 HB VAL A 23 -6.742 -10.384 4.057 1.00 0.31 H new ATOM 0 HG11 VAL A 23 -6.348 -12.815 3.964 1.00 0.41 H new ATOM 0 HG12 VAL A 23 -7.877 -12.311 3.204 1.00 0.41 H new ATOM 0 HG13 VAL A 23 -6.478 -12.741 2.191 1.00 0.41 H new ATOM 0 HG21 VAL A 23 -4.461 -11.363 4.082 1.00 0.33 H new ATOM 0 HG22 VAL A 23 -4.358 -11.094 2.326 1.00 0.33 H new ATOM 0 HG23 VAL A 23 -4.511 -9.707 3.430 1.00 0.33 H new ATOM 329 N GLU A 24 -7.496 -10.760 -0.289 1.00 0.33 N ATOM 330 CA GLU A 24 -7.202 -11.340 -1.585 1.00 0.40 C ATOM 331 C GLU A 24 -7.516 -10.370 -2.697 1.00 0.34 C ATOM 332 O GLU A 24 -7.205 -10.622 -3.856 1.00 0.44 O ATOM 333 CB GLU A 24 -8.005 -12.610 -1.773 1.00 0.57 C ATOM 334 CG GLU A 24 -7.753 -13.654 -0.713 1.00 1.36 C ATOM 335 CD GLU A 24 -8.659 -14.824 -0.875 1.00 1.86 C ATOM 336 OE1 GLU A 24 -9.779 -14.794 -0.339 1.00 2.31 O ATOM 337 OE2 GLU A 24 -8.288 -15.787 -1.571 1.00 2.20 O ATOM 0 H GLU A 24 -8.482 -10.561 -0.118 1.00 0.33 H new ATOM 0 HA GLU A 24 -6.137 -11.571 -1.622 1.00 0.40 H new ATOM 0 HB2 GLU A 24 -9.066 -12.360 -1.778 1.00 0.57 H new ATOM 0 HB3 GLU A 24 -7.773 -13.034 -2.750 1.00 0.57 H new ATOM 0 HG2 GLU A 24 -6.716 -13.985 -0.766 1.00 1.36 H new ATOM 0 HG3 GLU A 24 -7.897 -13.214 0.274 1.00 1.36 H new ATOM 344 N ASP A 25 -8.104 -9.258 -2.336 1.00 0.28 N ATOM 345 CA ASP A 25 -8.544 -8.261 -3.315 1.00 0.29 C ATOM 346 C ASP A 25 -7.379 -7.390 -3.679 1.00 0.25 C ATOM 347 O ASP A 25 -7.250 -6.892 -4.803 1.00 0.28 O ATOM 348 CB ASP A 25 -9.620 -7.380 -2.694 1.00 0.35 C ATOM 349 CG ASP A 25 -10.478 -6.697 -3.732 1.00 0.94 C ATOM 350 OD1 ASP A 25 -10.058 -5.645 -4.253 1.00 1.57 O ATOM 351 OD2 ASP A 25 -11.569 -7.162 -4.027 1.00 1.59 O ATOM 0 H ASP A 25 -8.296 -9.007 -1.366 1.00 0.28 H new ATOM 0 HA ASP A 25 -8.936 -8.768 -4.197 1.00 0.29 H new ATOM 0 HB2 ASP A 25 -10.253 -7.987 -2.046 1.00 0.35 H new ATOM 0 HB3 ASP A 25 -9.149 -6.626 -2.064 1.00 0.35 H new ATOM 356 N VAL A 26 -6.523 -7.240 -2.708 1.00 0.23 N ATOM 357 CA VAL A 26 -5.355 -6.385 -2.799 1.00 0.22 C ATOM 358 C VAL A 26 -4.277 -7.064 -3.641 1.00 0.25 C ATOM 359 O VAL A 26 -3.579 -7.950 -3.173 1.00 0.30 O ATOM 360 CB VAL A 26 -4.803 -6.076 -1.379 1.00 0.23 C ATOM 361 CG1 VAL A 26 -3.694 -5.046 -1.410 1.00 0.24 C ATOM 362 CG2 VAL A 26 -5.900 -5.590 -0.482 1.00 0.27 C ATOM 0 H VAL A 26 -6.612 -7.715 -1.810 1.00 0.23 H new ATOM 0 HA VAL A 26 -5.642 -5.448 -3.276 1.00 0.22 H new ATOM 0 HB VAL A 26 -4.393 -7.008 -0.991 1.00 0.23 H new ATOM 0 HG11 VAL A 26 -3.340 -4.862 -0.396 1.00 0.24 H new ATOM 0 HG12 VAL A 26 -2.870 -5.416 -2.021 1.00 0.24 H new ATOM 0 HG13 VAL A 26 -4.072 -4.117 -1.836 1.00 0.24 H new ATOM 0 HG21 VAL A 26 -5.494 -5.379 0.507 1.00 0.27 H new ATOM 0 HG22 VAL A 26 -6.334 -4.681 -0.898 1.00 0.27 H new ATOM 0 HG23 VAL A 26 -6.671 -6.356 -0.402 1.00 0.27 H new ATOM 372 N LYS A 27 -4.244 -6.712 -4.901 1.00 0.28 N ATOM 373 CA LYS A 27 -3.275 -7.207 -5.841 1.00 0.35 C ATOM 374 C LYS A 27 -2.658 -6.030 -6.502 1.00 0.37 C ATOM 375 O LYS A 27 -3.237 -4.964 -6.492 1.00 0.72 O ATOM 376 CB LYS A 27 -3.928 -8.084 -6.926 1.00 0.40 C ATOM 377 CG LYS A 27 -3.740 -9.586 -6.767 1.00 0.83 C ATOM 378 CD LYS A 27 -4.341 -10.113 -5.492 1.00 1.13 C ATOM 379 CE LYS A 27 -4.232 -11.624 -5.443 1.00 1.15 C ATOM 380 NZ LYS A 27 -5.004 -12.212 -4.341 1.00 1.58 N ATOM 0 H LYS A 27 -4.909 -6.056 -5.311 1.00 0.28 H new ATOM 0 HA LYS A 27 -2.544 -7.816 -5.309 1.00 0.35 H new ATOM 0 HB2 LYS A 27 -4.997 -7.871 -6.944 1.00 0.40 H new ATOM 0 HB3 LYS A 27 -3.528 -7.788 -7.895 1.00 0.40 H new ATOM 0 HG2 LYS A 27 -4.193 -10.097 -7.616 1.00 0.83 H new ATOM 0 HG3 LYS A 27 -2.675 -9.819 -6.786 1.00 0.83 H new ATOM 0 HD2 LYS A 27 -3.830 -9.677 -4.634 1.00 1.13 H new ATOM 0 HD3 LYS A 27 -5.387 -9.815 -5.425 1.00 1.13 H new ATOM 0 HE2 LYS A 27 -4.581 -12.040 -6.388 1.00 1.15 H new ATOM 0 HE3 LYS A 27 -3.184 -11.905 -5.338 1.00 1.15 H new ATOM 0 HZ1 LYS A 27 -5.121 -13.232 -4.505 1.00 1.58 H new ATOM 0 HZ2 LYS A 27 -4.499 -12.061 -3.444 1.00 1.58 H new ATOM 0 HZ3 LYS A 27 -5.939 -11.760 -4.292 1.00 1.58 H new ATOM 394 N LEU A 28 -1.498 -6.205 -7.046 1.00 0.24 N ATOM 395 CA LEU A 28 -0.818 -5.164 -7.801 1.00 0.22 C ATOM 396 C LEU A 28 -1.769 -4.633 -8.884 1.00 0.23 C ATOM 397 O LEU A 28 -2.596 -5.377 -9.413 1.00 0.31 O ATOM 398 CB LEU A 28 0.447 -5.722 -8.482 1.00 0.27 C ATOM 399 CG LEU A 28 1.449 -6.477 -7.609 1.00 0.43 C ATOM 400 CD1 LEU A 28 2.582 -7.017 -8.460 1.00 1.05 C ATOM 401 CD2 LEU A 28 2.000 -5.585 -6.536 1.00 1.05 C ATOM 0 H LEU A 28 -0.977 -7.080 -6.987 1.00 0.24 H new ATOM 0 HA LEU A 28 -0.528 -4.366 -7.117 1.00 0.22 H new ATOM 0 HB2 LEU A 28 0.130 -6.390 -9.283 1.00 0.27 H new ATOM 0 HB3 LEU A 28 0.971 -4.889 -8.950 1.00 0.27 H new ATOM 0 HG LEU A 28 0.928 -7.309 -7.135 1.00 0.43 H new ATOM 0 HD11 LEU A 28 3.289 -7.553 -7.827 1.00 1.05 H new ATOM 0 HD12 LEU A 28 2.181 -7.697 -9.211 1.00 1.05 H new ATOM 0 HD13 LEU A 28 3.092 -6.190 -8.954 1.00 1.05 H new ATOM 0 HD21 LEU A 28 2.711 -6.144 -5.927 1.00 1.05 H new ATOM 0 HD22 LEU A 28 2.505 -4.734 -6.994 1.00 1.05 H new ATOM 0 HD23 LEU A 28 1.185 -5.228 -5.906 1.00 1.05 H new ATOM 413 N ASP A 29 -1.664 -3.344 -9.140 1.00 0.24 N ATOM 414 CA ASP A 29 -2.489 -2.605 -10.121 1.00 0.31 C ATOM 415 C ASP A 29 -3.876 -2.294 -9.543 1.00 0.28 C ATOM 416 O ASP A 29 -4.768 -1.803 -10.218 1.00 0.38 O ATOM 417 CB ASP A 29 -2.567 -3.314 -11.500 1.00 0.42 C ATOM 418 CG ASP A 29 -3.176 -2.448 -12.594 1.00 0.60 C ATOM 419 OD1 ASP A 29 -2.489 -1.521 -13.088 1.00 0.72 O ATOM 420 OD2 ASP A 29 -4.332 -2.696 -13.011 1.00 0.70 O ATOM 0 H ASP A 29 -0.986 -2.748 -8.665 1.00 0.24 H new ATOM 0 HA ASP A 29 -1.989 -1.655 -10.312 1.00 0.31 H new ATOM 0 HB2 ASP A 29 -1.564 -3.615 -11.802 1.00 0.42 H new ATOM 0 HB3 ASP A 29 -3.156 -4.225 -11.398 1.00 0.42 H new ATOM 425 N LYS A 30 -4.033 -2.522 -8.246 1.00 0.19 N ATOM 426 CA LYS A 30 -5.265 -2.145 -7.602 1.00 0.20 C ATOM 427 C LYS A 30 -5.078 -0.830 -6.961 1.00 0.20 C ATOM 428 O LYS A 30 -4.236 -0.672 -6.096 1.00 0.24 O ATOM 429 CB LYS A 30 -5.761 -3.076 -6.535 1.00 0.28 C ATOM 430 CG LYS A 30 -6.160 -4.487 -6.943 1.00 0.36 C ATOM 431 CD LYS A 30 -7.240 -4.474 -7.972 1.00 0.45 C ATOM 432 CE LYS A 30 -7.922 -5.827 -8.131 1.00 0.79 C ATOM 433 NZ LYS A 30 -8.816 -6.104 -6.977 1.00 1.48 N ATOM 0 H LYS A 30 -3.337 -2.955 -7.639 1.00 0.19 H new ATOM 0 HA LYS A 30 -6.008 -2.156 -8.399 1.00 0.20 H new ATOM 0 HB2 LYS A 30 -4.984 -3.156 -5.775 1.00 0.28 H new ATOM 0 HB3 LYS A 30 -6.624 -2.609 -6.060 1.00 0.28 H new ATOM 0 HG2 LYS A 30 -5.290 -5.014 -7.334 1.00 0.36 H new ATOM 0 HG3 LYS A 30 -6.498 -5.039 -6.066 1.00 0.36 H new ATOM 0 HD2 LYS A 30 -7.985 -3.727 -7.700 1.00 0.45 H new ATOM 0 HD3 LYS A 30 -6.819 -4.170 -8.930 1.00 0.45 H new ATOM 0 HE2 LYS A 30 -8.499 -5.843 -9.056 1.00 0.79 H new ATOM 0 HE3 LYS A 30 -7.170 -6.612 -8.211 1.00 0.79 H new ATOM 0 HZ1 LYS A 30 -9.347 -6.981 -7.152 1.00 1.48 H new ATOM 0 HZ2 LYS A 30 -8.246 -6.211 -6.114 1.00 1.48 H new ATOM 0 HZ3 LYS A 30 -9.482 -5.314 -6.856 1.00 1.48 H new ATOM 447 N SER A 31 -5.879 0.055 -7.338 1.00 0.20 N ATOM 448 CA SER A 31 -5.832 1.466 -6.939 1.00 0.34 C ATOM 449 C SER A 31 -6.359 1.722 -5.493 1.00 0.53 C ATOM 450 O SER A 31 -6.958 2.762 -5.216 1.00 1.25 O ATOM 451 CB SER A 31 -6.624 2.282 -7.962 1.00 0.36 C ATOM 452 OG SER A 31 -6.132 2.075 -9.284 1.00 0.86 O ATOM 0 H SER A 31 -6.651 -0.148 -7.973 1.00 0.20 H new ATOM 0 HA SER A 31 -4.787 1.777 -6.923 1.00 0.34 H new ATOM 0 HB2 SER A 31 -7.677 2.003 -7.916 1.00 0.36 H new ATOM 0 HB3 SER A 31 -6.563 3.341 -7.711 1.00 0.36 H new ATOM 0 HG SER A 31 -6.658 2.608 -9.916 1.00 0.86 H new ATOM 458 N PHE A 32 -6.080 0.778 -4.589 1.00 0.29 N ATOM 459 CA PHE A 32 -6.453 0.816 -3.163 1.00 0.28 C ATOM 460 C PHE A 32 -7.857 1.299 -2.891 1.00 0.26 C ATOM 461 O PHE A 32 -8.802 0.551 -2.991 1.00 0.40 O ATOM 462 CB PHE A 32 -5.450 1.584 -2.293 1.00 0.40 C ATOM 463 CG PHE A 32 -4.122 0.926 -2.124 1.00 0.35 C ATOM 464 CD1 PHE A 32 -3.976 -0.163 -1.300 1.00 0.38 C ATOM 465 CD2 PHE A 32 -3.019 1.384 -2.820 1.00 0.35 C ATOM 466 CE1 PHE A 32 -2.761 -0.780 -1.172 1.00 0.40 C ATOM 467 CE2 PHE A 32 -1.812 0.771 -2.694 1.00 0.34 C ATOM 468 CZ PHE A 32 -1.667 -0.261 -1.753 1.00 0.36 C ATOM 0 H PHE A 32 -5.568 -0.069 -4.836 1.00 0.29 H new ATOM 0 HA PHE A 32 -6.422 -0.234 -2.873 1.00 0.28 H new ATOM 0 HB2 PHE A 32 -5.296 2.571 -2.729 1.00 0.40 H new ATOM 0 HB3 PHE A 32 -5.890 1.736 -1.308 1.00 0.40 H new ATOM 0 HD1 PHE A 32 -4.827 -0.535 -0.749 1.00 0.38 H new ATOM 0 HD2 PHE A 32 -3.117 2.239 -3.472 1.00 0.35 H new ATOM 0 HE1 PHE A 32 -2.681 -1.692 -0.599 1.00 0.40 H new ATOM 0 HE2 PHE A 32 -0.977 1.073 -3.309 1.00 0.34 H new ATOM 0 HZ PHE A 32 -0.686 -0.634 -1.499 1.00 0.36 H new ATOM 478 N THR A 33 -7.988 2.563 -2.633 1.00 0.28 N ATOM 479 CA THR A 33 -9.251 3.121 -2.236 1.00 0.36 C ATOM 480 C THR A 33 -10.238 3.080 -3.412 1.00 0.45 C ATOM 481 O THR A 33 -11.431 2.952 -3.225 1.00 1.06 O ATOM 482 CB THR A 33 -9.080 4.565 -1.669 1.00 0.61 C ATOM 483 OG1 THR A 33 -10.223 4.953 -0.933 1.00 1.01 O ATOM 484 CG2 THR A 33 -8.845 5.572 -2.770 1.00 0.78 C ATOM 0 H THR A 33 -7.226 3.239 -2.690 1.00 0.28 H new ATOM 0 HA THR A 33 -9.662 2.515 -1.429 1.00 0.36 H new ATOM 0 HB THR A 33 -8.208 4.547 -1.015 1.00 0.61 H new ATOM 0 HG1 THR A 33 -10.676 4.156 -0.587 1.00 1.01 H new ATOM 0 HG21 THR A 33 -8.731 6.565 -2.336 1.00 0.78 H new ATOM 0 HG22 THR A 33 -7.940 5.309 -3.317 1.00 0.78 H new ATOM 0 HG23 THR A 33 -9.695 5.570 -3.453 1.00 0.78 H new ATOM 492 N ASP A 34 -9.689 3.057 -4.605 1.00 0.32 N ATOM 493 CA ASP A 34 -10.462 3.057 -5.821 1.00 0.34 C ATOM 494 C ASP A 34 -10.966 1.674 -6.165 1.00 0.35 C ATOM 495 O ASP A 34 -12.159 1.481 -6.346 1.00 0.50 O ATOM 496 CB ASP A 34 -9.626 3.625 -6.953 1.00 0.38 C ATOM 497 CG ASP A 34 -10.231 3.419 -8.323 1.00 0.96 C ATOM 498 OD1 ASP A 34 -11.145 4.173 -8.708 1.00 1.04 O ATOM 499 OD2 ASP A 34 -9.787 2.515 -9.040 1.00 1.74 O ATOM 0 H ASP A 34 -8.681 3.038 -4.758 1.00 0.32 H new ATOM 0 HA ASP A 34 -11.339 3.686 -5.670 1.00 0.34 H new ATOM 0 HB2 ASP A 34 -9.483 4.693 -6.786 1.00 0.38 H new ATOM 0 HB3 ASP A 34 -8.639 3.164 -6.929 1.00 0.38 H new ATOM 504 N ASP A 35 -10.070 0.704 -6.220 1.00 0.30 N ATOM 505 CA ASP A 35 -10.486 -0.642 -6.614 1.00 0.32 C ATOM 506 C ASP A 35 -11.019 -1.381 -5.439 1.00 0.35 C ATOM 507 O ASP A 35 -12.163 -1.813 -5.423 1.00 0.52 O ATOM 508 CB ASP A 35 -9.332 -1.475 -7.160 1.00 0.31 C ATOM 509 CG ASP A 35 -9.839 -2.690 -7.927 1.00 0.81 C ATOM 510 OD1 ASP A 35 -10.175 -3.713 -7.297 1.00 1.29 O ATOM 511 OD2 ASP A 35 -9.873 -2.653 -9.180 1.00 1.10 O ATOM 0 H ASP A 35 -9.079 0.810 -6.005 1.00 0.30 H new ATOM 0 HA ASP A 35 -11.240 -0.506 -7.389 1.00 0.32 H new ATOM 0 HB2 ASP A 35 -8.715 -0.860 -7.816 1.00 0.31 H new ATOM 0 HB3 ASP A 35 -8.696 -1.801 -6.338 1.00 0.31 H new ATOM 516 N LEU A 36 -10.183 -1.464 -4.435 1.00 0.30 N ATOM 517 CA LEU A 36 -10.422 -2.309 -3.290 1.00 0.33 C ATOM 518 C LEU A 36 -11.614 -1.837 -2.502 1.00 0.39 C ATOM 519 O LEU A 36 -12.370 -2.663 -1.987 1.00 0.81 O ATOM 520 CB LEU A 36 -9.234 -2.298 -2.358 1.00 0.33 C ATOM 521 CG LEU A 36 -7.854 -2.452 -2.922 1.00 0.33 C ATOM 522 CD1 LEU A 36 -6.883 -2.417 -1.780 1.00 0.36 C ATOM 523 CD2 LEU A 36 -7.712 -3.719 -3.702 1.00 0.36 C ATOM 0 H LEU A 36 -9.308 -0.942 -4.388 1.00 0.30 H new ATOM 0 HA LEU A 36 -10.600 -3.313 -3.675 1.00 0.33 H new ATOM 0 HB2 LEU A 36 -9.259 -1.358 -1.807 1.00 0.33 H new ATOM 0 HB3 LEU A 36 -9.381 -3.097 -1.631 1.00 0.33 H new ATOM 0 HG LEU A 36 -7.653 -1.637 -3.618 1.00 0.33 H new ATOM 0 HD11 LEU A 36 -5.868 -2.527 -2.162 1.00 0.36 H new ATOM 0 HD12 LEU A 36 -6.972 -1.466 -1.256 1.00 0.36 H new ATOM 0 HD13 LEU A 36 -7.102 -3.233 -1.091 1.00 0.36 H new ATOM 0 HD21 LEU A 36 -6.698 -3.793 -4.094 1.00 0.36 H new ATOM 0 HD22 LEU A 36 -7.913 -4.571 -3.052 1.00 0.36 H new ATOM 0 HD23 LEU A 36 -8.422 -3.718 -4.529 1.00 0.36 H new ATOM 535 N ASP A 37 -11.750 -0.499 -2.403 1.00 0.35 N ATOM 536 CA ASP A 37 -12.806 0.175 -1.666 1.00 0.45 C ATOM 537 C ASP A 37 -12.374 0.360 -0.248 1.00 0.39 C ATOM 538 O ASP A 37 -12.754 -0.374 0.669 1.00 0.87 O ATOM 539 CB ASP A 37 -14.192 -0.479 -1.802 1.00 0.79 C ATOM 540 CG ASP A 37 -15.292 0.226 -1.026 1.00 0.90 C ATOM 541 OD1 ASP A 37 -15.410 1.466 -1.132 1.00 1.12 O ATOM 542 OD2 ASP A 37 -16.028 -0.440 -0.260 1.00 0.99 O ATOM 0 H ASP A 37 -11.103 0.149 -2.851 1.00 0.35 H new ATOM 0 HA ASP A 37 -12.953 1.155 -2.119 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -14.467 -0.506 -2.856 1.00 0.79 H new ATOM 0 HB3 ASP A 37 -14.128 -1.513 -1.462 1.00 0.79 H new ATOM 547 N VAL A 38 -11.422 1.239 -0.131 1.00 0.38 N ATOM 548 CA VAL A 38 -10.855 1.633 1.148 1.00 0.37 C ATOM 549 C VAL A 38 -11.436 3.005 1.546 1.00 0.48 C ATOM 550 O VAL A 38 -12.082 3.648 0.750 1.00 0.79 O ATOM 551 CB VAL A 38 -9.276 1.669 1.089 1.00 0.40 C ATOM 552 CG1 VAL A 38 -8.630 1.856 2.462 1.00 0.50 C ATOM 553 CG2 VAL A 38 -8.740 0.412 0.433 1.00 0.43 C ATOM 0 H VAL A 38 -11.003 1.717 -0.929 1.00 0.38 H new ATOM 0 HA VAL A 38 -11.122 0.896 1.905 1.00 0.37 H new ATOM 0 HB VAL A 38 -9.010 2.540 0.489 1.00 0.40 H new ATOM 0 HG11 VAL A 38 -7.545 1.872 2.355 1.00 0.50 H new ATOM 0 HG12 VAL A 38 -8.966 2.797 2.897 1.00 0.50 H new ATOM 0 HG13 VAL A 38 -8.917 1.032 3.115 1.00 0.50 H new ATOM 0 HG21 VAL A 38 -7.651 0.454 0.401 1.00 0.43 H new ATOM 0 HG22 VAL A 38 -9.053 -0.460 1.008 1.00 0.43 H new ATOM 0 HG23 VAL A 38 -9.130 0.337 -0.582 1.00 0.43 H new ATOM 563 N ASP A 39 -11.180 3.432 2.751 1.00 0.39 N ATOM 564 CA ASP A 39 -11.712 4.693 3.314 1.00 0.55 C ATOM 565 C ASP A 39 -10.979 5.955 2.830 1.00 0.67 C ATOM 566 O ASP A 39 -11.371 7.063 3.197 1.00 1.53 O ATOM 567 CB ASP A 39 -11.598 4.650 4.835 1.00 0.64 C ATOM 568 CG ASP A 39 -12.306 3.486 5.469 1.00 1.28 C ATOM 569 OD1 ASP A 39 -11.901 2.333 5.250 1.00 2.00 O ATOM 570 OD2 ASP A 39 -13.303 3.701 6.168 1.00 1.51 O ATOM 0 H ASP A 39 -10.585 2.920 3.402 1.00 0.39 H new ATOM 0 HA ASP A 39 -12.745 4.760 2.972 1.00 0.55 H new ATOM 0 HB2 ASP A 39 -10.544 4.614 5.109 1.00 0.64 H new ATOM 0 HB3 ASP A 39 -12.002 5.575 5.246 1.00 0.64 H new ATOM 575 N SER A 40 -9.917 5.788 2.027 1.00 0.45 N ATOM 576 CA SER A 40 -9.044 6.892 1.562 1.00 0.37 C ATOM 577 C SER A 40 -8.254 7.558 2.704 1.00 0.34 C ATOM 578 O SER A 40 -7.034 7.456 2.752 1.00 0.46 O ATOM 579 CB SER A 40 -9.794 7.928 0.755 1.00 0.51 C ATOM 580 OG SER A 40 -8.909 9.015 0.461 1.00 0.78 O ATOM 0 H SER A 40 -9.632 4.874 1.675 1.00 0.45 H new ATOM 0 HA SER A 40 -8.318 6.419 0.900 1.00 0.37 H new ATOM 0 HB2 SER A 40 -10.170 7.487 -0.168 1.00 0.51 H new ATOM 0 HB3 SER A 40 -10.659 8.286 1.312 1.00 0.51 H new ATOM 0 HG SER A 40 -9.385 9.692 -0.064 1.00 0.78 H new ATOM 585 N LEU A 41 -8.942 8.206 3.620 1.00 0.32 N ATOM 586 CA LEU A 41 -8.294 8.845 4.754 1.00 0.36 C ATOM 587 C LEU A 41 -7.580 7.828 5.638 1.00 0.33 C ATOM 588 O LEU A 41 -6.473 8.061 6.111 1.00 0.41 O ATOM 589 CB LEU A 41 -9.267 9.785 5.526 1.00 0.51 C ATOM 590 CG LEU A 41 -10.747 9.343 5.698 1.00 0.65 C ATOM 591 CD1 LEU A 41 -10.902 8.120 6.567 1.00 1.15 C ATOM 592 CD2 LEU A 41 -11.571 10.479 6.252 1.00 1.18 C ATOM 0 H LEU A 41 -9.957 8.306 3.604 1.00 0.32 H new ATOM 0 HA LEU A 41 -7.511 9.499 4.370 1.00 0.36 H new ATOM 0 HB2 LEU A 41 -8.852 9.947 6.521 1.00 0.51 H new ATOM 0 HB3 LEU A 41 -9.266 10.750 5.020 1.00 0.51 H new ATOM 0 HG LEU A 41 -11.109 9.073 4.706 1.00 0.65 H new ATOM 0 HD11 LEU A 41 -11.958 7.863 6.648 1.00 1.15 H new ATOM 0 HD12 LEU A 41 -10.358 7.286 6.122 1.00 1.15 H new ATOM 0 HD13 LEU A 41 -10.502 8.326 7.560 1.00 1.15 H new ATOM 0 HD21 LEU A 41 -12.605 10.156 6.367 1.00 1.18 H new ATOM 0 HD22 LEU A 41 -11.174 10.777 7.222 1.00 1.18 H new ATOM 0 HD23 LEU A 41 -11.530 11.326 5.567 1.00 1.18 H new ATOM 604 N SER A 42 -8.183 6.666 5.765 1.00 0.31 N ATOM 605 CA SER A 42 -7.609 5.577 6.508 1.00 0.33 C ATOM 606 C SER A 42 -6.525 4.885 5.674 1.00 0.27 C ATOM 607 O SER A 42 -5.723 4.133 6.185 1.00 0.26 O ATOM 608 CB SER A 42 -8.706 4.605 6.878 1.00 0.45 C ATOM 609 OG SER A 42 -9.812 5.278 7.463 1.00 0.60 O ATOM 0 H SER A 42 -9.091 6.454 5.351 1.00 0.31 H new ATOM 0 HA SER A 42 -7.143 5.953 7.419 1.00 0.33 H new ATOM 0 HB2 SER A 42 -9.033 4.066 5.989 1.00 0.45 H new ATOM 0 HB3 SER A 42 -8.318 3.863 7.576 1.00 0.45 H new ATOM 0 HG SER A 42 -10.508 4.627 7.691 1.00 0.60 H new ATOM 615 N MET A 43 -6.497 5.183 4.396 1.00 0.27 N ATOM 616 CA MET A 43 -5.523 4.620 3.499 1.00 0.31 C ATOM 617 C MET A 43 -4.174 5.249 3.737 1.00 0.25 C ATOM 618 O MET A 43 -3.173 4.572 3.703 1.00 0.28 O ATOM 619 CB MET A 43 -6.004 4.727 2.045 1.00 0.46 C ATOM 620 CG MET A 43 -4.969 4.481 0.956 1.00 0.73 C ATOM 621 SD MET A 43 -3.889 3.067 1.233 1.00 0.86 S ATOM 622 CE MET A 43 -5.028 1.759 1.469 1.00 0.40 C ATOM 0 H MET A 43 -7.153 5.825 3.951 1.00 0.27 H new ATOM 0 HA MET A 43 -5.407 3.555 3.700 1.00 0.31 H new ATOM 0 HB2 MET A 43 -6.819 4.017 1.905 1.00 0.46 H new ATOM 0 HB3 MET A 43 -6.420 5.724 1.898 1.00 0.46 H new ATOM 0 HG2 MET A 43 -5.488 4.341 0.008 1.00 0.73 H new ATOM 0 HG3 MET A 43 -4.353 5.374 0.854 1.00 0.73 H new ATOM 0 HE1 MET A 43 -4.543 0.809 1.244 1.00 0.40 H new ATOM 0 HE2 MET A 43 -5.369 1.756 2.504 1.00 0.40 H new ATOM 0 HE3 MET A 43 -5.882 1.896 0.806 1.00 0.40 H new ATOM 632 N VAL A 44 -4.167 6.529 4.060 1.00 0.22 N ATOM 633 CA VAL A 44 -2.918 7.219 4.417 1.00 0.22 C ATOM 634 C VAL A 44 -2.224 6.464 5.598 1.00 0.21 C ATOM 635 O VAL A 44 -0.996 6.298 5.620 1.00 0.26 O ATOM 636 CB VAL A 44 -3.176 8.706 4.805 1.00 0.25 C ATOM 637 CG1 VAL A 44 -1.876 9.406 5.194 1.00 0.31 C ATOM 638 CG2 VAL A 44 -3.831 9.442 3.647 1.00 0.30 C ATOM 0 H VAL A 44 -5.000 7.118 4.086 1.00 0.22 H new ATOM 0 HA VAL A 44 -2.264 7.216 3.545 1.00 0.22 H new ATOM 0 HB VAL A 44 -3.844 8.719 5.666 1.00 0.25 H new ATOM 0 HG11 VAL A 44 -2.086 10.442 5.460 1.00 0.31 H new ATOM 0 HG12 VAL A 44 -1.429 8.896 6.047 1.00 0.31 H new ATOM 0 HG13 VAL A 44 -1.183 9.381 4.353 1.00 0.31 H new ATOM 0 HG21 VAL A 44 -4.007 10.480 3.929 1.00 0.30 H new ATOM 0 HG22 VAL A 44 -3.175 9.408 2.777 1.00 0.30 H new ATOM 0 HG23 VAL A 44 -4.781 8.966 3.404 1.00 0.30 H new ATOM 648 N GLU A 45 -3.048 5.960 6.536 1.00 0.19 N ATOM 649 CA GLU A 45 -2.578 5.149 7.670 1.00 0.18 C ATOM 650 C GLU A 45 -1.929 3.886 7.146 1.00 0.20 C ATOM 651 O GLU A 45 -0.829 3.528 7.541 1.00 0.25 O ATOM 652 CB GLU A 45 -3.750 4.690 8.531 1.00 0.17 C ATOM 653 CG GLU A 45 -4.635 5.770 9.079 1.00 0.29 C ATOM 654 CD GLU A 45 -3.907 6.695 10.017 1.00 0.46 C ATOM 655 OE1 GLU A 45 -3.588 6.286 11.160 1.00 0.68 O ATOM 656 OE2 GLU A 45 -3.649 7.857 9.639 1.00 0.58 O ATOM 0 H GLU A 45 -4.058 6.105 6.527 1.00 0.19 H new ATOM 0 HA GLU A 45 -1.887 5.761 8.249 1.00 0.18 H new ATOM 0 HB2 GLU A 45 -4.364 4.012 7.939 1.00 0.17 H new ATOM 0 HB3 GLU A 45 -3.355 4.114 9.368 1.00 0.17 H new ATOM 0 HG2 GLU A 45 -5.050 6.348 8.253 1.00 0.29 H new ATOM 0 HG3 GLU A 45 -5.475 5.315 9.603 1.00 0.29 H new ATOM 663 N VAL A 46 -2.632 3.239 6.224 1.00 0.19 N ATOM 664 CA VAL A 46 -2.230 1.965 5.623 1.00 0.22 C ATOM 665 C VAL A 46 -0.853 2.070 4.951 1.00 0.20 C ATOM 666 O VAL A 46 -0.102 1.116 4.917 1.00 0.23 O ATOM 667 CB VAL A 46 -3.262 1.498 4.553 1.00 0.31 C ATOM 668 CG1 VAL A 46 -2.881 0.173 3.946 1.00 0.53 C ATOM 669 CG2 VAL A 46 -4.649 1.413 5.122 1.00 0.63 C ATOM 0 H VAL A 46 -3.519 3.591 5.863 1.00 0.19 H new ATOM 0 HA VAL A 46 -2.184 1.239 6.435 1.00 0.22 H new ATOM 0 HB VAL A 46 -3.252 2.253 3.767 1.00 0.31 H new ATOM 0 HG11 VAL A 46 -3.627 -0.116 3.205 1.00 0.53 H new ATOM 0 HG12 VAL A 46 -1.907 0.260 3.465 1.00 0.53 H new ATOM 0 HG13 VAL A 46 -2.833 -0.585 4.728 1.00 0.53 H new ATOM 0 HG21 VAL A 46 -5.341 1.084 4.347 1.00 0.63 H new ATOM 0 HG22 VAL A 46 -4.661 0.699 5.946 1.00 0.63 H new ATOM 0 HG23 VAL A 46 -4.953 2.394 5.487 1.00 0.63 H new ATOM 679 N VAL A 47 -0.522 3.253 4.495 1.00 0.17 N ATOM 680 CA VAL A 47 0.725 3.499 3.766 1.00 0.18 C ATOM 681 C VAL A 47 1.846 3.418 4.743 1.00 0.19 C ATOM 682 O VAL A 47 2.814 2.684 4.547 1.00 0.21 O ATOM 683 CB VAL A 47 0.753 4.910 3.137 1.00 0.22 C ATOM 684 CG1 VAL A 47 1.981 5.075 2.263 1.00 0.55 C ATOM 685 CG2 VAL A 47 -0.499 5.194 2.350 1.00 0.54 C ATOM 0 H VAL A 47 -1.103 4.083 4.613 1.00 0.17 H new ATOM 0 HA VAL A 47 0.811 2.761 2.969 1.00 0.18 H new ATOM 0 HB VAL A 47 0.800 5.634 3.951 1.00 0.22 H new ATOM 0 HG11 VAL A 47 1.986 6.074 1.827 1.00 0.55 H new ATOM 0 HG12 VAL A 47 2.878 4.938 2.867 1.00 0.55 H new ATOM 0 HG13 VAL A 47 1.963 4.332 1.466 1.00 0.55 H new ATOM 0 HG21 VAL A 47 -0.441 6.195 1.923 1.00 0.54 H new ATOM 0 HG22 VAL A 47 -0.598 4.463 1.548 1.00 0.54 H new ATOM 0 HG23 VAL A 47 -1.365 5.129 3.009 1.00 0.54 H new ATOM 695 N VAL A 48 1.695 4.180 5.800 1.00 0.19 N ATOM 696 CA VAL A 48 2.649 4.213 6.872 1.00 0.23 C ATOM 697 C VAL A 48 2.740 2.822 7.482 1.00 0.23 C ATOM 698 O VAL A 48 3.821 2.329 7.758 1.00 0.35 O ATOM 699 CB VAL A 48 2.221 5.249 7.947 1.00 0.31 C ATOM 700 CG1 VAL A 48 3.209 5.288 9.107 1.00 0.42 C ATOM 701 CG2 VAL A 48 2.085 6.633 7.318 1.00 0.33 C ATOM 0 H VAL A 48 0.896 4.799 5.937 1.00 0.19 H new ATOM 0 HA VAL A 48 3.624 4.512 6.488 1.00 0.23 H new ATOM 0 HB VAL A 48 1.254 4.942 8.345 1.00 0.31 H new ATOM 0 HG11 VAL A 48 2.879 6.023 9.841 1.00 0.42 H new ATOM 0 HG12 VAL A 48 3.259 4.305 9.575 1.00 0.42 H new ATOM 0 HG13 VAL A 48 4.196 5.564 8.735 1.00 0.42 H new ATOM 0 HG21 VAL A 48 1.785 7.351 8.081 1.00 0.33 H new ATOM 0 HG22 VAL A 48 3.042 6.935 6.892 1.00 0.33 H new ATOM 0 HG23 VAL A 48 1.331 6.603 6.531 1.00 0.33 H new ATOM 711 N ALA A 49 1.591 2.156 7.584 1.00 0.18 N ATOM 712 CA ALA A 49 1.526 0.871 8.170 1.00 0.18 C ATOM 713 C ALA A 49 2.288 -0.122 7.321 1.00 0.17 C ATOM 714 O ALA A 49 2.999 -0.997 7.844 1.00 0.21 O ATOM 715 CB ALA A 49 0.089 0.438 8.380 1.00 0.20 C ATOM 0 H ALA A 49 0.694 2.514 7.255 1.00 0.18 H new ATOM 0 HA ALA A 49 1.994 0.910 9.154 1.00 0.18 H new ATOM 0 HB1 ALA A 49 0.070 -0.554 8.832 1.00 0.20 H new ATOM 0 HB2 ALA A 49 -0.412 1.147 9.039 1.00 0.20 H new ATOM 0 HB3 ALA A 49 -0.426 0.409 7.420 1.00 0.20 H new ATOM 721 N ALA A 50 2.154 0.048 6.016 1.00 0.16 N ATOM 722 CA ALA A 50 2.837 -0.746 5.043 1.00 0.18 C ATOM 723 C ALA A 50 4.337 -0.573 5.200 1.00 0.18 C ATOM 724 O ALA A 50 5.040 -1.534 5.499 1.00 0.21 O ATOM 725 CB ALA A 50 2.376 -0.373 3.615 1.00 0.18 C ATOM 0 H ALA A 50 1.550 0.762 5.608 1.00 0.16 H new ATOM 0 HA ALA A 50 2.592 -1.796 5.204 1.00 0.18 H new ATOM 0 HB1 ALA A 50 2.907 -0.988 2.889 1.00 0.18 H new ATOM 0 HB2 ALA A 50 1.304 -0.546 3.522 1.00 0.18 H new ATOM 0 HB3 ALA A 50 2.591 0.679 3.426 1.00 0.18 H new ATOM 731 N GLU A 51 4.816 0.648 5.090 1.00 0.18 N ATOM 732 CA GLU A 51 6.246 0.899 5.148 1.00 0.23 C ATOM 733 C GLU A 51 6.905 0.451 6.439 1.00 0.23 C ATOM 734 O GLU A 51 7.975 -0.164 6.402 1.00 0.30 O ATOM 735 CB GLU A 51 6.622 2.316 4.708 1.00 0.29 C ATOM 736 CG GLU A 51 5.831 3.432 5.297 1.00 0.31 C ATOM 737 CD GLU A 51 6.565 4.226 6.333 1.00 0.36 C ATOM 738 OE1 GLU A 51 6.811 3.727 7.438 1.00 0.51 O ATOM 739 OE2 GLU A 51 6.899 5.389 6.045 1.00 0.64 O ATOM 0 H GLU A 51 4.242 1.481 4.960 1.00 0.18 H new ATOM 0 HA GLU A 51 6.683 0.242 4.396 1.00 0.23 H new ATOM 0 HB2 GLU A 51 7.672 2.479 4.949 1.00 0.29 H new ATOM 0 HB3 GLU A 51 6.532 2.371 3.623 1.00 0.29 H new ATOM 0 HG2 GLU A 51 5.518 4.102 4.496 1.00 0.31 H new ATOM 0 HG3 GLU A 51 4.924 3.023 5.744 1.00 0.31 H new ATOM 746 N GLU A 52 6.232 0.662 7.544 1.00 0.22 N ATOM 747 CA GLU A 52 6.713 0.235 8.853 1.00 0.26 C ATOM 748 C GLU A 52 6.914 -1.278 8.919 1.00 0.24 C ATOM 749 O GLU A 52 7.860 -1.769 9.553 1.00 0.35 O ATOM 750 CB GLU A 52 5.727 0.636 9.929 1.00 0.33 C ATOM 751 CG GLU A 52 5.630 2.108 10.195 1.00 0.46 C ATOM 752 CD GLU A 52 4.655 2.390 11.290 1.00 1.20 C ATOM 753 OE1 GLU A 52 3.444 2.084 11.123 1.00 1.50 O ATOM 754 OE2 GLU A 52 5.048 2.965 12.317 1.00 2.07 O ATOM 0 H GLU A 52 5.329 1.137 7.570 1.00 0.22 H new ATOM 0 HA GLU A 52 7.674 0.724 9.015 1.00 0.26 H new ATOM 0 HB2 GLU A 52 4.740 0.269 9.649 1.00 0.33 H new ATOM 0 HB3 GLU A 52 6.003 0.134 10.856 1.00 0.33 H new ATOM 0 HG2 GLU A 52 6.611 2.498 10.467 1.00 0.46 H new ATOM 0 HG3 GLU A 52 5.322 2.626 9.287 1.00 0.46 H new ATOM 761 N ARG A 53 6.048 -2.008 8.246 1.00 0.18 N ATOM 762 CA ARG A 53 6.056 -3.456 8.293 1.00 0.21 C ATOM 763 C ARG A 53 7.027 -4.013 7.245 1.00 0.24 C ATOM 764 O ARG A 53 7.625 -5.068 7.433 1.00 0.37 O ATOM 765 CB ARG A 53 4.645 -3.970 7.987 1.00 0.25 C ATOM 766 CG ARG A 53 4.298 -5.345 8.556 1.00 0.41 C ATOM 767 CD ARG A 53 2.943 -5.801 8.032 1.00 0.49 C ATOM 768 NE ARG A 53 2.251 -6.756 8.920 1.00 1.36 N ATOM 769 CZ ARG A 53 1.539 -7.811 8.492 1.00 1.55 C ATOM 770 NH1 ARG A 53 1.824 -8.378 7.335 1.00 1.19 N ATOM 771 NH2 ARG A 53 0.614 -8.369 9.276 1.00 2.48 N ATOM 0 H ARG A 53 5.319 -1.614 7.651 1.00 0.18 H new ATOM 0 HA ARG A 53 6.373 -3.782 9.284 1.00 0.21 H new ATOM 0 HB2 ARG A 53 3.925 -3.247 8.370 1.00 0.25 H new ATOM 0 HB3 ARG A 53 4.518 -4.003 6.905 1.00 0.25 H new ATOM 0 HG2 ARG A 53 5.066 -6.067 8.278 1.00 0.41 H new ATOM 0 HG3 ARG A 53 4.280 -5.303 9.645 1.00 0.41 H new ATOM 0 HD2 ARG A 53 2.307 -4.928 7.887 1.00 0.49 H new ATOM 0 HD3 ARG A 53 3.079 -6.262 7.054 1.00 0.49 H new ATOM 0 HE ARG A 53 2.318 -6.604 9.926 1.00 1.36 H new ATOM 0 HH11 ARG A 53 2.587 -8.015 6.763 1.00 1.19 H new ATOM 0 HH12 ARG A 53 1.282 -9.179 7.012 1.00 1.19 H new ATOM 0 HH21 ARG A 53 0.443 -7.994 10.209 1.00 2.48 H new ATOM 0 HH22 ARG A 53 0.078 -9.170 8.942 1.00 2.48 H new ATOM 785 N PHE A 54 7.193 -3.291 6.141 1.00 0.20 N ATOM 786 CA PHE A 54 7.985 -3.809 5.020 1.00 0.26 C ATOM 787 C PHE A 54 9.384 -3.241 4.999 1.00 0.37 C ATOM 788 O PHE A 54 10.158 -3.523 4.102 1.00 0.81 O ATOM 789 CB PHE A 54 7.288 -3.559 3.684 1.00 0.18 C ATOM 790 CG PHE A 54 5.857 -3.945 3.695 1.00 0.14 C ATOM 791 CD1 PHE A 54 5.435 -5.038 4.410 1.00 0.27 C ATOM 792 CD2 PHE A 54 4.929 -3.178 3.049 1.00 0.19 C ATOM 793 CE1 PHE A 54 4.126 -5.357 4.478 1.00 0.36 C ATOM 794 CE2 PHE A 54 3.604 -3.494 3.119 1.00 0.29 C ATOM 795 CZ PHE A 54 3.200 -4.585 3.838 1.00 0.33 C ATOM 0 H PHE A 54 6.799 -2.361 5.995 1.00 0.20 H new ATOM 0 HA PHE A 54 8.069 -4.885 5.170 1.00 0.26 H new ATOM 0 HB2 PHE A 54 7.371 -2.502 3.429 1.00 0.18 H new ATOM 0 HB3 PHE A 54 7.803 -4.117 2.902 1.00 0.18 H new ATOM 0 HD1 PHE A 54 6.160 -5.651 4.925 1.00 0.27 H new ATOM 0 HD2 PHE A 54 5.246 -2.317 2.480 1.00 0.19 H new ATOM 0 HE1 PHE A 54 3.810 -6.224 5.039 1.00 0.36 H new ATOM 0 HE2 PHE A 54 2.875 -2.883 2.607 1.00 0.29 H new ATOM 0 HZ PHE A 54 2.151 -4.835 3.899 1.00 0.33 H new ATOM 805 N ASP A 55 9.676 -2.424 5.970 1.00 0.23 N ATOM 806 CA ASP A 55 11.042 -1.837 6.204 1.00 0.30 C ATOM 807 C ASP A 55 11.352 -0.644 5.276 1.00 0.21 C ATOM 808 O ASP A 55 12.450 -0.088 5.299 1.00 0.44 O ATOM 809 CB ASP A 55 12.160 -2.928 6.101 1.00 0.60 C ATOM 810 CG ASP A 55 13.529 -2.474 6.568 1.00 1.22 C ATOM 811 OD1 ASP A 55 13.681 -2.124 7.766 1.00 1.56 O ATOM 812 OD2 ASP A 55 14.454 -2.391 5.734 1.00 1.99 O ATOM 0 H ASP A 55 8.986 -2.117 6.655 1.00 0.23 H new ATOM 0 HA ASP A 55 11.033 -1.449 7.222 1.00 0.30 H new ATOM 0 HB2 ASP A 55 11.859 -3.795 6.689 1.00 0.60 H new ATOM 0 HB3 ASP A 55 12.235 -3.256 5.064 1.00 0.60 H new ATOM 817 N VAL A 56 10.395 -0.232 4.473 1.00 0.17 N ATOM 818 CA VAL A 56 10.615 0.905 3.612 1.00 0.21 C ATOM 819 C VAL A 56 10.168 2.194 4.363 1.00 0.20 C ATOM 820 O VAL A 56 9.740 2.113 5.515 1.00 0.21 O ATOM 821 CB VAL A 56 9.852 0.708 2.263 1.00 0.27 C ATOM 822 CG1 VAL A 56 8.374 0.781 2.443 1.00 0.29 C ATOM 823 CG2 VAL A 56 10.299 1.637 1.178 1.00 0.37 C ATOM 0 H VAL A 56 9.472 -0.660 4.399 1.00 0.17 H new ATOM 0 HA VAL A 56 11.672 1.003 3.367 1.00 0.21 H new ATOM 0 HB VAL A 56 10.111 -0.299 1.935 1.00 0.27 H new ATOM 0 HG11 VAL A 56 7.883 0.639 1.480 1.00 0.29 H new ATOM 0 HG12 VAL A 56 8.053 0.001 3.133 1.00 0.29 H new ATOM 0 HG13 VAL A 56 8.104 1.757 2.847 1.00 0.29 H new ATOM 0 HG21 VAL A 56 9.725 1.441 0.272 1.00 0.37 H new ATOM 0 HG22 VAL A 56 10.139 2.668 1.493 1.00 0.37 H new ATOM 0 HG23 VAL A 56 11.359 1.479 0.977 1.00 0.37 H new ATOM 833 N LYS A 57 10.276 3.343 3.749 1.00 0.25 N ATOM 834 CA LYS A 57 9.780 4.562 4.330 1.00 0.25 C ATOM 835 C LYS A 57 9.057 5.302 3.235 1.00 0.22 C ATOM 836 O LYS A 57 9.613 5.470 2.152 1.00 0.28 O ATOM 837 CB LYS A 57 10.931 5.420 4.855 1.00 0.33 C ATOM 838 CG LYS A 57 10.470 6.621 5.653 1.00 0.44 C ATOM 839 CD LYS A 57 9.767 6.203 6.934 1.00 0.89 C ATOM 840 CE LYS A 57 9.068 7.380 7.592 1.00 1.46 C ATOM 841 NZ LYS A 57 10.002 8.427 8.051 1.00 2.12 N ATOM 0 H LYS A 57 10.710 3.460 2.833 1.00 0.25 H new ATOM 0 HA LYS A 57 9.121 4.343 5.170 1.00 0.25 H new ATOM 0 HB2 LYS A 57 11.578 4.804 5.480 1.00 0.33 H new ATOM 0 HB3 LYS A 57 11.533 5.762 4.013 1.00 0.33 H new ATOM 0 HG2 LYS A 57 11.327 7.249 5.896 1.00 0.44 H new ATOM 0 HG3 LYS A 57 9.795 7.225 5.047 1.00 0.44 H new ATOM 0 HD2 LYS A 57 9.039 5.423 6.713 1.00 0.89 H new ATOM 0 HD3 LYS A 57 10.492 5.775 7.626 1.00 0.89 H new ATOM 0 HE2 LYS A 57 8.362 7.816 6.886 1.00 1.46 H new ATOM 0 HE3 LYS A 57 8.488 7.021 8.442 1.00 1.46 H new ATOM 0 HZ1 LYS A 57 9.466 9.202 8.491 1.00 2.12 H new ATOM 0 HZ2 LYS A 57 10.661 8.024 8.747 1.00 2.12 H new ATOM 0 HZ3 LYS A 57 10.538 8.794 7.239 1.00 2.12 H new ATOM 855 N ILE A 58 7.845 5.717 3.470 1.00 0.20 N ATOM 856 CA ILE A 58 7.086 6.365 2.427 1.00 0.19 C ATOM 857 C ILE A 58 6.648 7.765 2.854 1.00 0.21 C ATOM 858 O ILE A 58 5.824 7.920 3.753 1.00 0.25 O ATOM 859 CB ILE A 58 5.855 5.515 1.982 1.00 0.19 C ATOM 860 CG1 ILE A 58 6.315 4.104 1.580 1.00 0.22 C ATOM 861 CG2 ILE A 58 5.153 6.188 0.801 1.00 0.20 C ATOM 862 CD1 ILE A 58 5.198 3.147 1.231 1.00 0.24 C ATOM 0 H ILE A 58 7.361 5.622 4.363 1.00 0.20 H new ATOM 0 HA ILE A 58 7.747 6.458 1.565 1.00 0.19 H new ATOM 0 HB ILE A 58 5.155 5.441 2.814 1.00 0.19 H new ATOM 0 HG12 ILE A 58 6.985 4.186 0.724 1.00 0.22 H new ATOM 0 HG13 ILE A 58 6.895 3.679 2.399 1.00 0.22 H new ATOM 0 HG21 ILE A 58 4.295 5.588 0.497 1.00 0.20 H new ATOM 0 HG22 ILE A 58 4.814 7.181 1.097 1.00 0.20 H new ATOM 0 HG23 ILE A 58 5.848 6.275 -0.034 1.00 0.20 H new ATOM 0 HD11 ILE A 58 5.620 2.179 0.961 1.00 0.24 H new ATOM 0 HD12 ILE A 58 4.539 3.028 2.091 1.00 0.24 H new ATOM 0 HD13 ILE A 58 4.629 3.543 0.389 1.00 0.24 H new ATOM 874 N PRO A 59 7.224 8.803 2.237 1.00 0.23 N ATOM 875 CA PRO A 59 6.873 10.202 2.521 1.00 0.28 C ATOM 876 C PRO A 59 5.524 10.565 1.898 1.00 0.24 C ATOM 877 O PRO A 59 5.051 9.861 0.995 1.00 0.21 O ATOM 878 CB PRO A 59 7.978 10.969 1.805 1.00 0.33 C ATOM 879 CG PRO A 59 8.315 10.100 0.656 1.00 0.30 C ATOM 880 CD PRO A 59 8.269 8.707 1.199 1.00 0.25 C ATOM 0 HA PRO A 59 6.791 10.412 3.587 1.00 0.28 H new ATOM 0 HB2 PRO A 59 7.637 11.952 1.478 1.00 0.33 H new ATOM 0 HB3 PRO A 59 8.840 11.129 2.453 1.00 0.33 H new ATOM 0 HG2 PRO A 59 7.603 10.230 -0.159 1.00 0.30 H new ATOM 0 HG3 PRO A 59 9.302 10.336 0.258 1.00 0.30 H new ATOM 0 HD2 PRO A 59 8.011 7.980 0.429 1.00 0.25 H new ATOM 0 HD3 PRO A 59 9.229 8.402 1.616 1.00 0.25 H new ATOM 888 N ASP A 60 4.947 11.686 2.331 1.00 0.30 N ATOM 889 CA ASP A 60 3.633 12.168 1.852 1.00 0.34 C ATOM 890 C ASP A 60 3.564 12.228 0.330 1.00 0.31 C ATOM 891 O ASP A 60 2.583 11.768 -0.270 1.00 0.36 O ATOM 892 CB ASP A 60 3.303 13.547 2.448 1.00 0.51 C ATOM 893 CG ASP A 60 2.055 14.172 1.849 1.00 1.25 C ATOM 894 OD1 ASP A 60 0.946 13.761 2.209 1.00 1.98 O ATOM 895 OD2 ASP A 60 2.166 15.090 1.017 1.00 1.92 O ATOM 0 H ASP A 60 5.374 12.296 3.029 1.00 0.30 H new ATOM 0 HA ASP A 60 2.890 11.446 2.191 1.00 0.34 H new ATOM 0 HB2 ASP A 60 3.171 13.448 3.526 1.00 0.51 H new ATOM 0 HB3 ASP A 60 4.149 14.216 2.290 1.00 0.51 H new ATOM 900 N ASP A 61 4.623 12.745 -0.281 1.00 0.30 N ATOM 901 CA ASP A 61 4.722 12.870 -1.742 1.00 0.37 C ATOM 902 C ASP A 61 4.596 11.520 -2.420 1.00 0.33 C ATOM 903 O ASP A 61 3.923 11.383 -3.427 1.00 0.46 O ATOM 904 CB ASP A 61 6.046 13.518 -2.154 1.00 0.50 C ATOM 905 CG ASP A 61 6.205 13.655 -3.662 1.00 1.16 C ATOM 906 OD1 ASP A 61 6.741 12.734 -4.314 1.00 2.06 O ATOM 907 OD2 ASP A 61 5.836 14.704 -4.215 1.00 1.16 O ATOM 0 H ASP A 61 5.442 13.092 0.218 1.00 0.30 H new ATOM 0 HA ASP A 61 3.898 13.507 -2.062 1.00 0.37 H new ATOM 0 HB2 ASP A 61 6.117 14.505 -1.697 1.00 0.50 H new ATOM 0 HB3 ASP A 61 6.871 12.924 -1.761 1.00 0.50 H new ATOM 912 N ASP A 62 5.202 10.522 -1.854 1.00 0.25 N ATOM 913 CA ASP A 62 5.136 9.212 -2.452 1.00 0.25 C ATOM 914 C ASP A 62 3.859 8.500 -2.108 1.00 0.23 C ATOM 915 O ASP A 62 3.349 7.739 -2.918 1.00 0.28 O ATOM 916 CB ASP A 62 6.373 8.369 -2.196 1.00 0.26 C ATOM 917 CG ASP A 62 7.549 8.841 -3.024 1.00 0.36 C ATOM 918 OD1 ASP A 62 7.521 8.710 -4.264 1.00 0.52 O ATOM 919 OD2 ASP A 62 8.507 9.394 -2.453 1.00 0.44 O ATOM 0 H ASP A 62 5.742 10.581 -0.991 1.00 0.25 H new ATOM 0 HA ASP A 62 5.123 9.372 -3.530 1.00 0.25 H new ATOM 0 HB2 ASP A 62 6.631 8.412 -1.138 1.00 0.26 H new ATOM 0 HB3 ASP A 62 6.158 7.326 -2.429 1.00 0.26 H new ATOM 924 N VAL A 63 3.314 8.778 -0.918 1.00 0.22 N ATOM 925 CA VAL A 63 1.991 8.272 -0.520 1.00 0.26 C ATOM 926 C VAL A 63 0.984 8.670 -1.605 1.00 0.29 C ATOM 927 O VAL A 63 0.273 7.840 -2.147 1.00 0.38 O ATOM 928 CB VAL A 63 1.533 8.912 0.841 1.00 0.27 C ATOM 929 CG1 VAL A 63 0.118 8.501 1.202 1.00 0.31 C ATOM 930 CG2 VAL A 63 2.469 8.542 1.973 1.00 0.27 C ATOM 0 H VAL A 63 3.770 9.353 -0.209 1.00 0.22 H new ATOM 0 HA VAL A 63 2.044 7.190 -0.399 1.00 0.26 H new ATOM 0 HB VAL A 63 1.561 9.993 0.701 1.00 0.27 H new ATOM 0 HG11 VAL A 63 -0.165 8.962 2.148 1.00 0.31 H new ATOM 0 HG12 VAL A 63 -0.567 8.829 0.420 1.00 0.31 H new ATOM 0 HG13 VAL A 63 0.067 7.416 1.297 1.00 0.31 H new ATOM 0 HG21 VAL A 63 2.121 9.002 2.898 1.00 0.27 H new ATOM 0 HG22 VAL A 63 2.487 7.459 2.091 1.00 0.27 H new ATOM 0 HG23 VAL A 63 3.474 8.899 1.746 1.00 0.27 H new ATOM 940 N LYS A 64 0.998 9.944 -1.947 1.00 0.27 N ATOM 941 CA LYS A 64 0.085 10.504 -2.946 1.00 0.34 C ATOM 942 C LYS A 64 0.435 10.097 -4.390 1.00 0.32 C ATOM 943 O LYS A 64 -0.273 10.465 -5.325 1.00 0.38 O ATOM 944 CB LYS A 64 -0.028 12.038 -2.798 1.00 0.44 C ATOM 945 CG LYS A 64 1.296 12.776 -2.896 1.00 0.83 C ATOM 946 CD LYS A 64 1.194 14.248 -2.505 1.00 0.73 C ATOM 947 CE LYS A 64 0.420 15.083 -3.522 1.00 1.59 C ATOM 948 NZ LYS A 64 1.112 15.139 -4.826 1.00 2.16 N ATOM 0 H LYS A 64 1.640 10.627 -1.544 1.00 0.27 H new ATOM 0 HA LYS A 64 -0.894 10.068 -2.745 1.00 0.34 H new ATOM 0 HB2 LYS A 64 -0.699 12.417 -3.569 1.00 0.44 H new ATOM 0 HB3 LYS A 64 -0.487 12.265 -1.836 1.00 0.44 H new ATOM 0 HG2 LYS A 64 2.026 12.286 -2.253 1.00 0.83 H new ATOM 0 HG3 LYS A 64 1.671 12.703 -3.917 1.00 0.83 H new ATOM 0 HD2 LYS A 64 0.708 14.327 -1.533 1.00 0.73 H new ATOM 0 HD3 LYS A 64 2.197 14.659 -2.394 1.00 0.73 H new ATOM 0 HE2 LYS A 64 -0.576 14.660 -3.657 1.00 1.59 H new ATOM 0 HE3 LYS A 64 0.288 16.094 -3.137 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 0.694 15.892 -5.409 1.00 2.16 H new ATOM 0 HZ2 LYS A 64 2.122 15.338 -4.675 1.00 2.16 H new ATOM 0 HZ3 LYS A 64 1.008 14.226 -5.314 1.00 2.16 H new ATOM 962 N ASN A 65 1.516 9.358 -4.578 1.00 0.26 N ATOM 963 CA ASN A 65 1.897 8.883 -5.902 1.00 0.29 C ATOM 964 C ASN A 65 1.620 7.425 -6.068 1.00 0.28 C ATOM 965 O ASN A 65 1.604 6.905 -7.197 1.00 0.42 O ATOM 966 CB ASN A 65 3.344 9.143 -6.216 1.00 0.36 C ATOM 967 CG ASN A 65 3.584 10.490 -6.877 1.00 0.90 C ATOM 968 OD1 ASN A 65 3.528 10.606 -8.106 1.00 1.59 O ATOM 969 ND2 ASN A 65 3.859 11.498 -6.104 1.00 1.43 N ATOM 0 H ASN A 65 2.148 9.072 -3.830 1.00 0.26 H new ATOM 0 HA ASN A 65 1.284 9.451 -6.602 1.00 0.29 H new ATOM 0 HB2 ASN A 65 3.924 9.090 -5.294 1.00 0.36 H new ATOM 0 HB3 ASN A 65 3.714 8.354 -6.871 1.00 0.36 H new ATOM 0 HD21 ASN A 65 4.036 12.417 -6.509 1.00 1.43 H new ATOM 0 HD22 ASN A 65 3.898 11.370 -5.093 1.00 1.43 H new ATOM 976 N LEU A 66 1.424 6.743 -4.971 1.00 0.21 N ATOM 977 CA LEU A 66 1.080 5.377 -5.029 1.00 0.23 C ATOM 978 C LEU A 66 -0.389 5.341 -5.271 1.00 0.25 C ATOM 979 O LEU A 66 -1.171 5.730 -4.423 1.00 0.31 O ATOM 980 CB LEU A 66 1.416 4.624 -3.727 1.00 0.22 C ATOM 981 CG LEU A 66 2.860 4.682 -3.215 1.00 0.21 C ATOM 982 CD1 LEU A 66 3.030 3.752 -2.017 1.00 0.22 C ATOM 983 CD2 LEU A 66 3.852 4.338 -4.317 1.00 0.23 C ATOM 0 H LEU A 66 1.501 7.128 -4.029 1.00 0.21 H new ATOM 0 HA LEU A 66 1.650 4.881 -5.815 1.00 0.23 H new ATOM 0 HB2 LEU A 66 0.767 5.010 -2.941 1.00 0.22 H new ATOM 0 HB3 LEU A 66 1.154 3.576 -3.870 1.00 0.22 H new ATOM 0 HG LEU A 66 3.069 5.703 -2.896 1.00 0.21 H new ATOM 0 HD11 LEU A 66 4.059 3.801 -1.661 1.00 0.22 H new ATOM 0 HD12 LEU A 66 2.355 4.060 -1.218 1.00 0.22 H new ATOM 0 HD13 LEU A 66 2.797 2.729 -2.314 1.00 0.22 H new ATOM 0 HD21 LEU A 66 4.867 4.388 -3.922 1.00 0.23 H new ATOM 0 HD22 LEU A 66 3.654 3.330 -4.683 1.00 0.23 H new ATOM 0 HD23 LEU A 66 3.746 5.049 -5.137 1.00 0.23 H new ATOM 995 N LYS A 67 -0.754 4.986 -6.437 1.00 0.28 N ATOM 996 CA LYS A 67 -2.146 4.914 -6.738 1.00 0.34 C ATOM 997 C LYS A 67 -2.621 3.505 -6.595 1.00 0.30 C ATOM 998 O LYS A 67 -3.690 3.265 -6.071 1.00 0.38 O ATOM 999 CB LYS A 67 -2.576 5.576 -8.096 1.00 0.46 C ATOM 1000 CG LYS A 67 -1.865 5.108 -9.376 1.00 1.05 C ATOM 1001 CD LYS A 67 -0.485 5.757 -9.580 1.00 1.26 C ATOM 1002 CE LYS A 67 -0.568 7.254 -9.854 1.00 1.83 C ATOM 1003 NZ LYS A 67 -1.257 7.549 -11.128 1.00 2.55 N ATOM 0 H LYS A 67 -0.125 4.740 -7.201 1.00 0.28 H new ATOM 0 HA LYS A 67 -2.654 5.537 -6.001 1.00 0.34 H new ATOM 0 HB2 LYS A 67 -3.645 5.410 -8.226 1.00 0.46 H new ATOM 0 HB3 LYS A 67 -2.430 6.652 -8.006 1.00 0.46 H new ATOM 0 HG2 LYS A 67 -1.748 4.025 -9.342 1.00 1.05 H new ATOM 0 HG3 LYS A 67 -2.495 5.334 -10.236 1.00 1.05 H new ATOM 0 HD2 LYS A 67 0.125 5.589 -8.692 1.00 1.26 H new ATOM 0 HD3 LYS A 67 0.021 5.268 -10.412 1.00 1.26 H new ATOM 0 HE2 LYS A 67 -1.096 7.743 -9.035 1.00 1.83 H new ATOM 0 HE3 LYS A 67 0.438 7.673 -9.881 1.00 1.83 H new ATOM 0 HZ1 LYS A 67 -1.144 8.557 -11.359 1.00 2.55 H new ATOM 0 HZ2 LYS A 67 -0.844 6.971 -11.888 1.00 2.55 H new ATOM 0 HZ3 LYS A 67 -2.269 7.327 -11.035 1.00 2.55 H new ATOM 1017 N THR A 68 -1.808 2.555 -7.019 1.00 0.23 N ATOM 1018 CA THR A 68 -2.157 1.205 -6.855 1.00 0.19 C ATOM 1019 C THR A 68 -1.184 0.542 -5.911 1.00 0.18 C ATOM 1020 O THR A 68 -0.212 1.150 -5.457 1.00 0.20 O ATOM 1021 CB THR A 68 -2.165 0.425 -8.192 1.00 0.18 C ATOM 1022 OG1 THR A 68 -0.833 0.244 -8.660 1.00 0.21 O ATOM 1023 CG2 THR A 68 -2.970 1.156 -9.255 1.00 0.22 C ATOM 0 H THR A 68 -0.910 2.719 -7.475 1.00 0.23 H new ATOM 0 HA THR A 68 -3.169 1.184 -6.450 1.00 0.19 H new ATOM 0 HB THR A 68 -2.630 -0.543 -8.007 1.00 0.18 H new ATOM 0 HG1 THR A 68 -0.564 1.023 -9.191 1.00 0.21 H new ATOM 0 HG21 THR A 68 -2.956 0.582 -10.181 1.00 0.22 H new ATOM 0 HG22 THR A 68 -3.999 1.272 -8.916 1.00 0.22 H new ATOM 0 HG23 THR A 68 -2.533 2.139 -9.431 1.00 0.22 H new ATOM 1031 N VAL A 69 -1.405 -0.713 -5.671 1.00 0.19 N ATOM 1032 CA VAL A 69 -0.539 -1.515 -4.878 1.00 0.18 C ATOM 1033 C VAL A 69 0.529 -2.079 -5.753 1.00 0.15 C ATOM 1034 O VAL A 69 1.564 -2.511 -5.293 1.00 0.17 O ATOM 1035 CB VAL A 69 -1.309 -2.558 -3.983 1.00 0.34 C ATOM 1036 CG1 VAL A 69 -2.604 -2.891 -4.596 1.00 1.05 C ATOM 1037 CG2 VAL A 69 -0.529 -3.838 -3.694 1.00 1.21 C ATOM 0 H VAL A 69 -2.215 -1.217 -6.033 1.00 0.19 H new ATOM 0 HA VAL A 69 -0.043 -0.897 -4.130 1.00 0.18 H new ATOM 0 HB VAL A 69 -1.454 -2.070 -3.019 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -3.128 -3.613 -3.970 1.00 1.05 H new ATOM 0 HG12 VAL A 69 -3.206 -1.987 -4.689 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -2.439 -3.321 -5.584 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -1.133 -4.499 -3.072 1.00 1.21 H new ATOM 0 HG22 VAL A 69 -0.291 -4.339 -4.632 1.00 1.21 H new ATOM 0 HG23 VAL A 69 0.395 -3.591 -3.171 1.00 1.21 H new ATOM 1047 N GLY A 70 0.304 -1.961 -7.060 1.00 0.14 N ATOM 1048 CA GLY A 70 1.348 -2.322 -7.993 1.00 0.16 C ATOM 1049 C GLY A 70 2.440 -1.319 -7.836 1.00 0.19 C ATOM 1050 O GLY A 70 3.612 -1.648 -7.705 1.00 0.33 O ATOM 0 H GLY A 70 -0.565 -1.629 -7.479 1.00 0.14 H new ATOM 0 HA2 GLY A 70 1.716 -3.328 -7.789 1.00 0.16 H new ATOM 0 HA3 GLY A 70 0.969 -2.322 -9.015 1.00 0.16 H new ATOM 1054 N ASP A 71 1.997 -0.098 -7.746 1.00 0.17 N ATOM 1055 CA ASP A 71 2.804 1.044 -7.513 1.00 0.20 C ATOM 1056 C ASP A 71 3.434 0.986 -6.150 1.00 0.17 C ATOM 1057 O ASP A 71 4.655 1.045 -6.035 1.00 0.20 O ATOM 1058 CB ASP A 71 1.918 2.266 -7.596 1.00 0.32 C ATOM 1059 CG ASP A 71 1.417 2.551 -8.966 1.00 0.87 C ATOM 1060 OD1 ASP A 71 2.247 2.753 -9.860 1.00 1.28 O ATOM 1061 OD2 ASP A 71 0.199 2.581 -9.176 1.00 1.39 O ATOM 0 H ASP A 71 1.007 0.130 -7.840 1.00 0.17 H new ATOM 0 HA ASP A 71 3.600 1.083 -8.257 1.00 0.20 H new ATOM 0 HB2 ASP A 71 1.067 2.132 -6.928 1.00 0.32 H new ATOM 0 HB3 ASP A 71 2.474 3.131 -7.235 1.00 0.32 H new ATOM 1066 N ALA A 72 2.583 0.852 -5.121 1.00 0.15 N ATOM 1067 CA ALA A 72 3.007 0.829 -3.717 1.00 0.13 C ATOM 1068 C ALA A 72 4.115 -0.131 -3.502 1.00 0.12 C ATOM 1069 O ALA A 72 5.205 0.247 -3.148 1.00 0.14 O ATOM 1070 CB ALA A 72 1.849 0.399 -2.827 1.00 0.13 C ATOM 0 H ALA A 72 1.575 0.756 -5.243 1.00 0.15 H new ATOM 0 HA ALA A 72 3.339 1.836 -3.466 1.00 0.13 H new ATOM 0 HB1 ALA A 72 2.175 0.385 -1.787 1.00 0.13 H new ATOM 0 HB2 ALA A 72 1.023 1.102 -2.939 1.00 0.13 H new ATOM 0 HB3 ALA A 72 1.518 -0.598 -3.117 1.00 0.13 H new ATOM 1076 N THR A 73 3.827 -1.352 -3.783 1.00 0.11 N ATOM 1077 CA THR A 73 4.715 -2.444 -3.585 1.00 0.13 C ATOM 1078 C THR A 73 6.076 -2.240 -4.238 1.00 0.16 C ATOM 1079 O THR A 73 7.088 -2.336 -3.564 1.00 0.24 O ATOM 1080 CB THR A 73 4.055 -3.703 -4.083 1.00 0.14 C ATOM 1081 OG1 THR A 73 2.801 -3.850 -3.417 1.00 0.15 O ATOM 1082 CG2 THR A 73 4.899 -4.874 -3.787 1.00 0.17 C ATOM 0 H THR A 73 2.927 -1.630 -4.174 1.00 0.11 H new ATOM 0 HA THR A 73 4.916 -2.523 -2.517 1.00 0.13 H new ATOM 0 HB THR A 73 3.912 -3.636 -5.161 1.00 0.14 H new ATOM 0 HG1 THR A 73 2.072 -3.704 -4.056 1.00 0.15 H new ATOM 0 HG21 THR A 73 4.410 -5.777 -4.152 1.00 0.17 H new ATOM 0 HG22 THR A 73 5.865 -4.760 -4.279 1.00 0.17 H new ATOM 0 HG23 THR A 73 5.048 -4.952 -2.710 1.00 0.17 H new ATOM 1090 N LYS A 74 6.083 -1.962 -5.518 1.00 0.17 N ATOM 1091 CA LYS A 74 7.271 -1.723 -6.283 1.00 0.20 C ATOM 1092 C LYS A 74 8.071 -0.620 -5.685 1.00 0.23 C ATOM 1093 O LYS A 74 9.266 -0.688 -5.648 1.00 0.45 O ATOM 1094 CB LYS A 74 6.901 -1.384 -7.708 1.00 0.25 C ATOM 1095 CG LYS A 74 6.918 -2.571 -8.669 1.00 0.98 C ATOM 1096 CD LYS A 74 5.961 -3.680 -8.263 1.00 2.21 C ATOM 1097 CE LYS A 74 6.002 -4.836 -9.247 1.00 2.92 C ATOM 1098 NZ LYS A 74 5.577 -4.437 -10.607 1.00 3.63 N ATOM 0 H LYS A 74 5.229 -1.895 -6.071 1.00 0.17 H new ATOM 0 HA LYS A 74 7.878 -2.628 -6.274 1.00 0.20 H new ATOM 0 HB2 LYS A 74 5.905 -0.942 -7.715 1.00 0.25 H new ATOM 0 HB3 LYS A 74 7.590 -0.624 -8.077 1.00 0.25 H new ATOM 0 HG2 LYS A 74 6.660 -2.225 -9.670 1.00 0.98 H new ATOM 0 HG3 LYS A 74 7.930 -2.973 -8.722 1.00 0.98 H new ATOM 0 HD2 LYS A 74 6.220 -4.039 -7.267 1.00 2.21 H new ATOM 0 HD3 LYS A 74 4.947 -3.285 -8.206 1.00 2.21 H new ATOM 0 HE2 LYS A 74 7.015 -5.237 -9.289 1.00 2.92 H new ATOM 0 HE3 LYS A 74 5.356 -5.637 -8.888 1.00 2.92 H new ATOM 0 HZ1 LYS A 74 5.426 -5.287 -11.187 1.00 3.63 H new ATOM 0 HZ2 LYS A 74 4.691 -3.896 -10.549 1.00 3.63 H new ATOM 0 HZ3 LYS A 74 6.315 -3.847 -11.042 1.00 3.63 H new ATOM 1112 N TYR A 75 7.395 0.365 -5.187 1.00 0.16 N ATOM 1113 CA TYR A 75 8.028 1.478 -4.550 1.00 0.16 C ATOM 1114 C TYR A 75 8.689 1.015 -3.272 1.00 0.16 C ATOM 1115 O TYR A 75 9.849 1.318 -3.002 1.00 0.19 O ATOM 1116 CB TYR A 75 7.002 2.543 -4.213 1.00 0.16 C ATOM 1117 CG TYR A 75 7.618 3.725 -3.512 1.00 0.18 C ATOM 1118 CD1 TYR A 75 8.363 4.663 -4.202 1.00 0.26 C ATOM 1119 CD2 TYR A 75 7.495 3.862 -2.140 1.00 0.21 C ATOM 1120 CE1 TYR A 75 8.972 5.703 -3.542 1.00 0.32 C ATOM 1121 CE2 TYR A 75 8.085 4.896 -1.476 1.00 0.26 C ATOM 1122 CZ TYR A 75 8.830 5.819 -2.178 1.00 0.28 C ATOM 1123 OH TYR A 75 9.457 6.856 -1.508 1.00 0.40 O ATOM 0 H TYR A 75 6.377 0.421 -5.211 1.00 0.16 H new ATOM 0 HA TYR A 75 8.772 1.895 -5.229 1.00 0.16 H new ATOM 0 HB2 TYR A 75 6.515 2.879 -5.129 1.00 0.16 H new ATOM 0 HB3 TYR A 75 6.227 2.111 -3.580 1.00 0.16 H new ATOM 0 HD1 TYR A 75 8.468 4.577 -5.273 1.00 0.26 H new ATOM 0 HD2 TYR A 75 6.920 3.135 -1.585 1.00 0.21 H new ATOM 0 HE1 TYR A 75 9.559 6.425 -4.090 1.00 0.32 H new ATOM 0 HE2 TYR A 75 7.969 4.991 -0.406 1.00 0.26 H new ATOM 0 HH TYR A 75 9.607 7.602 -2.126 1.00 0.40 H new ATOM 1133 N ILE A 76 7.931 0.271 -2.518 1.00 0.14 N ATOM 1134 CA ILE A 76 8.327 -0.250 -1.255 1.00 0.16 C ATOM 1135 C ILE A 76 9.553 -1.110 -1.429 1.00 0.17 C ATOM 1136 O ILE A 76 10.608 -0.728 -0.998 1.00 0.21 O ATOM 1137 CB ILE A 76 7.157 -1.058 -0.657 1.00 0.15 C ATOM 1138 CG1 ILE A 76 6.025 -0.117 -0.313 1.00 0.13 C ATOM 1139 CG2 ILE A 76 7.577 -1.827 0.576 1.00 0.19 C ATOM 1140 CD1 ILE A 76 4.714 -0.810 -0.135 1.00 0.13 C ATOM 0 H ILE A 76 6.983 0.004 -2.784 1.00 0.14 H new ATOM 0 HA ILE A 76 8.576 0.560 -0.570 1.00 0.16 H new ATOM 0 HB ILE A 76 6.830 -1.783 -1.402 1.00 0.15 H new ATOM 0 HG12 ILE A 76 6.273 0.418 0.604 1.00 0.13 H new ATOM 0 HG13 ILE A 76 5.930 0.629 -1.102 1.00 0.13 H new ATOM 0 HG21 ILE A 76 6.724 -2.383 0.966 1.00 0.19 H new ATOM 0 HG22 ILE A 76 8.375 -2.522 0.317 1.00 0.19 H new ATOM 0 HG23 ILE A 76 7.935 -1.131 1.335 1.00 0.19 H new ATOM 0 HD11 ILE A 76 3.945 -0.077 0.110 1.00 0.13 H new ATOM 0 HD12 ILE A 76 4.445 -1.323 -1.059 1.00 0.13 H new ATOM 0 HD13 ILE A 76 4.793 -1.537 0.673 1.00 0.13 H new ATOM 1152 N LEU A 77 9.411 -2.222 -2.130 1.00 0.17 N ATOM 1153 CA LEU A 77 10.467 -3.181 -2.334 1.00 0.20 C ATOM 1154 C LEU A 77 11.741 -2.569 -2.895 1.00 0.22 C ATOM 1155 O LEU A 77 12.849 -2.874 -2.443 1.00 0.29 O ATOM 1156 CB LEU A 77 9.963 -4.354 -3.178 1.00 0.23 C ATOM 1157 CG LEU A 77 9.376 -4.053 -4.531 1.00 0.78 C ATOM 1158 CD1 LEU A 77 10.433 -3.918 -5.625 1.00 1.08 C ATOM 1159 CD2 LEU A 77 8.334 -5.063 -4.898 1.00 1.44 C ATOM 0 H LEU A 77 8.534 -2.483 -2.581 1.00 0.17 H new ATOM 0 HA LEU A 77 10.750 -3.561 -1.352 1.00 0.20 H new ATOM 0 HB2 LEU A 77 10.795 -5.043 -3.321 1.00 0.23 H new ATOM 0 HB3 LEU A 77 9.207 -4.883 -2.597 1.00 0.23 H new ATOM 0 HG LEU A 77 8.897 -3.077 -4.453 1.00 0.78 H new ATOM 0 HD11 LEU A 77 9.947 -3.701 -6.576 1.00 1.08 H new ATOM 0 HD12 LEU A 77 11.116 -3.106 -5.373 1.00 1.08 H new ATOM 0 HD13 LEU A 77 10.992 -4.850 -5.708 1.00 1.08 H new ATOM 0 HD21 LEU A 77 7.925 -4.824 -5.880 1.00 1.44 H new ATOM 0 HD22 LEU A 77 8.783 -6.056 -4.924 1.00 1.44 H new ATOM 0 HD23 LEU A 77 7.534 -5.046 -4.158 1.00 1.44 H new ATOM 1171 N ASP A 78 11.555 -1.631 -3.790 1.00 0.22 N ATOM 1172 CA ASP A 78 12.642 -0.987 -4.496 1.00 0.29 C ATOM 1173 C ASP A 78 13.403 -0.062 -3.578 1.00 0.30 C ATOM 1174 O ASP A 78 14.597 0.183 -3.759 1.00 0.36 O ATOM 1175 CB ASP A 78 12.103 -0.283 -5.760 1.00 0.45 C ATOM 1176 CG ASP A 78 13.056 0.703 -6.402 1.00 0.49 C ATOM 1177 OD1 ASP A 78 13.984 0.283 -7.109 1.00 0.63 O ATOM 1178 OD2 ASP A 78 12.906 1.933 -6.176 1.00 0.59 O ATOM 0 H ASP A 78 10.632 -1.286 -4.055 1.00 0.22 H new ATOM 0 HA ASP A 78 13.359 -1.737 -4.830 1.00 0.29 H new ATOM 0 HB2 ASP A 78 11.841 -1.043 -6.496 1.00 0.45 H new ATOM 0 HB3 ASP A 78 11.183 0.241 -5.501 1.00 0.45 H new ATOM 1183 N HIS A 79 12.726 0.412 -2.563 1.00 0.29 N ATOM 1184 CA HIS A 79 13.344 1.257 -1.575 1.00 0.36 C ATOM 1185 C HIS A 79 13.659 0.496 -0.281 1.00 0.42 C ATOM 1186 O HIS A 79 14.268 1.050 0.627 1.00 0.58 O ATOM 1187 CB HIS A 79 12.523 2.519 -1.294 1.00 0.38 C ATOM 1188 CG HIS A 79 12.495 3.512 -2.423 1.00 0.61 C ATOM 1189 ND1 HIS A 79 13.086 4.758 -2.359 1.00 0.99 N ATOM 1190 CD2 HIS A 79 11.922 3.445 -3.635 1.00 0.87 C ATOM 1191 CE1 HIS A 79 12.872 5.400 -3.485 1.00 1.25 C ATOM 1192 NE2 HIS A 79 12.167 4.623 -4.274 1.00 1.18 N ATOM 0 H HIS A 79 11.737 0.224 -2.399 1.00 0.29 H new ATOM 0 HA HIS A 79 14.294 1.581 -2.001 1.00 0.36 H new ATOM 0 HB2 HIS A 79 11.500 2.226 -1.060 1.00 0.38 H new ATOM 0 HB3 HIS A 79 12.925 3.008 -0.407 1.00 0.38 H new ATOM 0 HD2 HIS A 79 11.367 2.608 -4.032 1.00 0.87 H new ATOM 0 HE1 HIS A 79 13.217 6.396 -3.721 1.00 1.25 H new ATOM 0 HE2 HIS A 79 11.853 4.863 -5.214 1.00 1.18 H new ATOM 1201 N GLN A 80 13.226 -0.771 -0.179 1.00 0.39 N ATOM 1202 CA GLN A 80 13.562 -1.583 0.988 1.00 0.49 C ATOM 1203 C GLN A 80 14.959 -1.975 0.874 1.00 0.58 C ATOM 1204 O GLN A 80 15.825 -1.595 1.660 1.00 0.83 O ATOM 1205 CB GLN A 80 12.795 -2.875 1.045 1.00 0.67 C ATOM 1206 CG GLN A 80 11.337 -2.780 0.993 1.00 0.52 C ATOM 1207 CD GLN A 80 10.694 -4.143 0.991 1.00 0.57 C ATOM 1208 OE1 GLN A 80 9.517 -4.204 1.457 1.00 0.87 O flip ATOM 1209 NE2 GLN A 80 11.265 -5.124 0.527 1.00 0.56 N flip ATOM 0 H GLN A 80 12.654 -1.243 -0.879 1.00 0.39 H new ATOM 0 HA GLN A 80 13.332 -0.982 1.868 1.00 0.49 H new ATOM 0 HB2 GLN A 80 13.124 -3.502 0.216 1.00 0.67 H new ATOM 0 HB3 GLN A 80 13.069 -3.392 1.965 1.00 0.67 H new ATOM 0 HG2 GLN A 80 10.978 -2.209 1.849 1.00 0.52 H new ATOM 0 HG3 GLN A 80 11.039 -2.235 0.098 1.00 0.52 H new ATOM 0 HE21 GLN A 80 12.213 -5.036 0.161 1.00 0.56 H new ATOM 0 HE22 GLN A 80 10.792 -6.027 0.507 1.00 0.56 H new