USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 497 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 112 LYS NZ :NH3+ -170:sc= 0.0623 (180deg=0) USER MOD Set 1.2: A 118 GLN : amide:sc= 0.0626 K(o=0.12,f=-1.2!) USER MOD Set 2.1: A 73 ASN : amide:sc= 0.15 X(o=0.34,f=-0.0079) USER MOD Set 2.2: A 75 SER OG : rot 110:sc= 0.193 USER MOD Single : A 64 ASN : amide:sc= 0.102 X(o=0.1,f=-0.0013) USER MOD Single : A 70 TYR OH : rot 166:sc= 0 USER MOD Single : A 74 TYR OH : rot 166:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0758 USER MOD Single : A 79 ASN : amide:sc= -0.807 K(o=-0.81,f=-1.7!) USER MOD Single : A 82 LYS NZ :NH3+ -169:sc=-0.00255 (180deg=-0.143) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl -172:sc= -0.0842 (180deg=-0.205) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 109 ASN : amide:sc=-0.00747 X(o=-0.0075,f=-0.0075) USER MOD Single : A 110 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.06) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 59 -3.036 -12.255 0.367 1.00 0.00 N ATOM 2 CA TRP A 59 -2.324 -10.964 0.267 1.00 0.00 C ATOM 3 C TRP A 59 -2.994 -10.113 -0.759 1.00 0.00 C ATOM 4 O TRP A 59 -2.572 -10.058 -1.909 1.00 0.00 O ATOM 5 CB TRP A 59 -0.830 -11.204 -0.029 1.00 0.00 C ATOM 6 CG TRP A 59 -0.177 -12.106 0.987 1.00 0.00 C ATOM 7 CD1 TRP A 59 0.336 -11.791 2.210 1.00 0.00 C ATOM 8 CD2 TRP A 59 0.009 -13.520 0.817 1.00 0.00 C ATOM 9 NE1 TRP A 59 0.840 -12.917 2.810 1.00 0.00 N ATOM 10 CE2 TRP A 59 0.642 -13.990 1.967 1.00 0.00 C ATOM 11 CE3 TRP A 59 -0.326 -14.359 -0.209 1.00 0.00 C ATOM 12 CZ2 TRP A 59 0.956 -15.311 2.107 1.00 0.00 C ATOM 13 CZ3 TRP A 59 -0.013 -15.694 -0.065 1.00 0.00 C ATOM 14 CH2 TRP A 59 0.619 -16.162 1.073 1.00 0.00 C ATOM 0 HA TRP A 59 -2.368 -10.428 1.215 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.726 -11.644 -1.021 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -0.309 -10.247 -0.049 1.00 0.00 H new ATOM 0 HD1 TRP A 59 0.344 -10.801 2.643 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.286 -12.954 3.726 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.817 -13.990 -1.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 1.450 -15.677 2.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.266 -16.386 -0.854 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.853 -17.213 1.154 1.00 0.00 H new ATOM 27 N ILE A 60 -4.122 -9.479 -0.367 1.00 0.00 N ATOM 28 CA ILE A 60 -4.998 -8.830 -1.310 1.00 0.00 C ATOM 29 C ILE A 60 -5.892 -7.851 -0.619 1.00 0.00 C ATOM 30 O ILE A 60 -5.865 -6.657 -0.910 1.00 0.00 O ATOM 31 CB ILE A 60 -5.901 -9.678 -2.193 1.00 0.00 C ATOM 32 CG1 ILE A 60 -5.901 -11.191 -1.887 1.00 0.00 C ATOM 33 CG2 ILE A 60 -5.487 -9.361 -3.641 1.00 0.00 C ATOM 34 CD1 ILE A 60 -6.482 -11.496 -0.512 1.00 0.00 C ATOM 0 H ILE A 60 -4.429 -9.415 0.604 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.264 -8.387 -1.983 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.941 -9.417 -1.997 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.479 -11.715 -2.649 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.881 -11.572 -1.942 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.101 -9.941 -4.330 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.629 -8.298 -3.835 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.438 -9.619 -3.784 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.462 -12.572 -0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.889 -10.995 0.253 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.511 -11.140 -0.465 1.00 0.00 H new ATOM 46 N ALA A 61 -6.734 -8.362 0.297 1.00 0.00 N ATOM 47 CA ALA A 61 -7.770 -7.608 0.929 1.00 0.00 C ATOM 48 C ALA A 61 -7.237 -7.174 2.244 1.00 0.00 C ATOM 49 O ALA A 61 -7.897 -6.439 2.972 1.00 0.00 O ATOM 50 CB ALA A 61 -9.023 -8.452 1.199 1.00 0.00 C ATOM 0 H ALA A 61 -6.692 -9.333 0.608 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.052 -6.782 0.277 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.781 -7.834 1.680 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.413 -8.836 0.256 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.766 -9.286 1.852 1.00 0.00 H new ATOM 56 N ARG A 62 -6.013 -7.631 2.568 1.00 0.00 N ATOM 57 CA ARG A 62 -5.317 -7.182 3.734 1.00 0.00 C ATOM 58 C ARG A 62 -4.659 -5.868 3.445 1.00 0.00 C ATOM 59 O ARG A 62 -4.314 -5.130 4.365 1.00 0.00 O ATOM 60 CB ARG A 62 -4.246 -8.159 4.239 1.00 0.00 C ATOM 61 CG ARG A 62 -3.909 -9.324 3.303 1.00 0.00 C ATOM 62 CD ARG A 62 -2.806 -10.209 3.903 1.00 0.00 C ATOM 63 NE ARG A 62 -3.301 -10.789 5.185 1.00 0.00 N ATOM 64 CZ ARG A 62 -4.016 -11.952 5.224 1.00 0.00 C ATOM 65 NH1 ARG A 62 -4.264 -12.663 4.086 1.00 0.00 N ATOM 66 NH2 ARG A 62 -4.487 -12.411 6.422 1.00 0.00 N ATOM 0 H ARG A 62 -5.501 -8.319 2.015 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.069 -7.098 4.519 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.332 -7.598 4.433 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.577 -8.569 5.193 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.803 -9.922 3.124 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.585 -8.937 2.337 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.539 -11.004 3.207 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.904 -9.622 4.077 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.099 -10.303 6.059 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.914 -12.328 3.189 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.800 -13.530 4.133 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.304 -11.886 7.277 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.022 -13.279 6.461 1.00 0.00 H new ATOM 80 N ILE A 63 -4.476 -5.540 2.149 1.00 0.00 N ATOM 81 CA ILE A 63 -3.933 -4.324 1.690 1.00 0.00 C ATOM 82 C ILE A 63 -5.042 -3.350 1.770 1.00 0.00 C ATOM 83 O ILE A 63 -4.841 -2.229 2.221 1.00 0.00 O ATOM 84 CB ILE A 63 -3.565 -4.444 0.239 1.00 0.00 C ATOM 85 CG1 ILE A 63 -2.706 -5.693 0.000 1.00 0.00 C ATOM 86 CG2 ILE A 63 -2.810 -3.167 -0.090 1.00 0.00 C ATOM 87 CD1 ILE A 63 -2.479 -6.036 -1.473 1.00 0.00 C ATOM 0 H ILE A 63 -4.727 -6.172 1.389 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.053 -4.043 2.269 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.440 -4.559 -0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.738 -5.549 0.480 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.181 -6.544 0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.508 -3.183 -1.137 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.455 -2.307 0.089 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.925 -3.095 0.542 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.862 -6.932 -1.547 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.439 -6.215 -1.957 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.974 -5.206 -1.966 1.00 0.00 H new ATOM 99 N ASN A 64 -6.244 -3.790 1.336 1.00 0.00 N ATOM 100 CA ASN A 64 -7.435 -2.988 1.370 1.00 0.00 C ATOM 101 C ASN A 64 -7.726 -2.649 2.799 1.00 0.00 C ATOM 102 O ASN A 64 -8.168 -1.544 3.109 1.00 0.00 O ATOM 103 CB ASN A 64 -8.649 -3.751 0.811 1.00 0.00 C ATOM 104 CG ASN A 64 -9.574 -2.811 0.032 1.00 0.00 C ATOM 105 OD1 ASN A 64 -9.847 -3.055 -1.150 1.00 0.00 O ATOM 106 ND2 ASN A 64 -10.071 -1.732 0.710 1.00 0.00 N ATOM 0 H ASN A 64 -6.391 -4.724 0.953 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.270 -2.099 0.761 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.309 -4.556 0.159 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.200 -4.215 1.629 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.700 -1.081 0.241 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.812 -1.579 1.685 1.00 0.00 H new ATOM 113 N ALA A 65 -7.454 -3.612 3.701 1.00 0.00 N ATOM 114 CA ALA A 65 -7.706 -3.461 5.101 1.00 0.00 C ATOM 115 C ALA A 65 -6.754 -2.480 5.697 1.00 0.00 C ATOM 116 O ALA A 65 -7.107 -1.798 6.657 1.00 0.00 O ATOM 117 CB ALA A 65 -7.542 -4.762 5.899 1.00 0.00 C ATOM 0 H ALA A 65 -7.050 -4.515 3.451 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.742 -3.129 5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.749 -4.571 6.952 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.239 -5.510 5.522 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.522 -5.129 5.790 1.00 0.00 H new ATOM 123 N ALA A 66 -5.521 -2.381 5.156 1.00 0.00 N ATOM 124 CA ALA A 66 -4.579 -1.474 5.748 1.00 0.00 C ATOM 125 C ALA A 66 -4.856 -0.056 5.348 1.00 0.00 C ATOM 126 O ALA A 66 -4.657 0.858 6.148 1.00 0.00 O ATOM 127 CB ALA A 66 -3.139 -1.768 5.328 1.00 0.00 C ATOM 0 H ALA A 66 -5.186 -2.903 4.346 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.693 -1.611 6.823 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.468 -1.053 5.804 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.870 -2.779 5.635 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.051 -1.682 4.245 1.00 0.00 H new ATOM 133 N VAL A 67 -5.295 0.161 4.090 1.00 0.00 N ATOM 134 CA VAL A 67 -5.285 1.473 3.509 1.00 0.00 C ATOM 135 C VAL A 67 -6.587 2.174 3.710 1.00 0.00 C ATOM 136 O VAL A 67 -6.752 3.307 3.263 1.00 0.00 O ATOM 137 CB VAL A 67 -5.001 1.473 2.024 1.00 0.00 C ATOM 138 CG1 VAL A 67 -3.598 0.911 1.769 1.00 0.00 C ATOM 139 CG2 VAL A 67 -6.075 0.696 1.245 1.00 0.00 C ATOM 0 H VAL A 67 -5.656 -0.570 3.477 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.478 1.992 4.026 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.035 2.500 1.660 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.395 0.912 0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.860 1.530 2.279 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.540 -0.109 2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.839 0.717 0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.100 -0.337 1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.049 1.157 1.410 1.00 0.00 H new ATOM 149 N ARG A 68 -7.551 1.519 4.388 1.00 0.00 N ATOM 150 CA ARG A 68 -8.882 2.051 4.512 1.00 0.00 C ATOM 151 C ARG A 68 -8.921 3.128 5.547 1.00 0.00 C ATOM 152 O ARG A 68 -9.892 3.879 5.629 1.00 0.00 O ATOM 153 CB ARG A 68 -9.913 0.969 4.879 1.00 0.00 C ATOM 154 CG ARG A 68 -9.732 0.378 6.284 1.00 0.00 C ATOM 155 CD ARG A 68 -10.512 -0.925 6.452 1.00 0.00 C ATOM 156 NE ARG A 68 -10.258 -1.439 7.832 1.00 0.00 N ATOM 157 CZ ARG A 68 -10.419 -2.760 8.143 1.00 0.00 C ATOM 158 NH1 ARG A 68 -10.796 -3.659 7.188 1.00 0.00 N ATOM 159 NH2 ARG A 68 -10.199 -3.186 9.422 1.00 0.00 N ATOM 0 H ARG A 68 -7.411 0.621 4.851 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.147 2.458 3.536 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.913 1.395 4.802 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.853 0.163 4.148 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.673 0.195 6.469 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -10.065 1.101 7.029 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.578 -0.754 6.299 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.197 -1.657 5.708 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.958 -0.789 8.558 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.961 -3.347 6.231 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.913 -4.643 7.431 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.916 -2.519 10.140 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.318 -4.171 9.659 1.00 0.00 H new ATOM 173 N ALA A 69 -7.839 3.239 6.346 1.00 0.00 N ATOM 174 CA ALA A 69 -7.703 4.267 7.331 1.00 0.00 C ATOM 175 C ALA A 69 -7.483 5.571 6.634 1.00 0.00 C ATOM 176 O ALA A 69 -7.929 6.614 7.110 1.00 0.00 O ATOM 177 CB ALA A 69 -6.480 4.039 8.231 1.00 0.00 C ATOM 0 H ALA A 69 -7.045 2.601 6.305 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.608 4.262 7.938 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.414 4.842 8.965 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.581 3.084 8.746 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.576 4.029 7.621 1.00 0.00 H new ATOM 183 N TYR A 70 -6.781 5.530 5.483 1.00 0.00 N ATOM 184 CA TYR A 70 -6.412 6.719 4.778 1.00 0.00 C ATOM 185 C TYR A 70 -7.613 7.196 4.032 1.00 0.00 C ATOM 186 O TYR A 70 -7.920 8.388 4.046 1.00 0.00 O ATOM 187 CB TYR A 70 -5.276 6.481 3.762 1.00 0.00 C ATOM 188 CG TYR A 70 -4.135 5.757 4.412 1.00 0.00 C ATOM 189 CD1 TYR A 70 -3.634 6.110 5.658 1.00 0.00 C ATOM 190 CD2 TYR A 70 -3.559 4.695 3.742 1.00 0.00 C ATOM 191 CE1 TYR A 70 -2.617 5.378 6.237 1.00 0.00 C ATOM 192 CE2 TYR A 70 -2.534 3.970 4.316 1.00 0.00 C ATOM 193 CZ TYR A 70 -2.073 4.300 5.572 1.00 0.00 C ATOM 194 OH TYR A 70 -1.042 3.545 6.169 1.00 0.00 O ATOM 0 H TYR A 70 -6.468 4.666 5.040 1.00 0.00 H new ATOM 0 HA TYR A 70 -6.055 7.447 5.506 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.650 5.900 2.919 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.930 7.435 3.364 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.043 6.964 6.178 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.915 4.429 2.758 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.246 5.651 7.214 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.093 3.143 3.780 1.00 0.00 H new ATOM 0 HH TYR A 70 -0.933 2.700 5.685 1.00 0.00 H new ATOM 204 N GLY A 71 -8.323 6.256 3.376 1.00 0.00 N ATOM 205 CA GLY A 71 -9.493 6.577 2.610 1.00 0.00 C ATOM 206 C GLY A 71 -9.317 5.929 1.281 1.00 0.00 C ATOM 207 O GLY A 71 -10.220 5.941 0.446 1.00 0.00 O ATOM 0 H GLY A 71 -8.084 5.264 3.377 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.393 6.211 3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.604 7.656 2.504 1.00 0.00 H new ATOM 211 N LEU A 72 -8.126 5.339 1.072 1.00 0.00 N ATOM 212 CA LEU A 72 -7.828 4.602 -0.121 1.00 0.00 C ATOM 213 C LEU A 72 -8.502 3.297 0.009 1.00 0.00 C ATOM 214 O LEU A 72 -8.811 2.845 1.109 1.00 0.00 O ATOM 215 CB LEU A 72 -6.324 4.361 -0.310 1.00 0.00 C ATOM 216 CG LEU A 72 -5.512 5.668 -0.405 1.00 0.00 C ATOM 217 CD1 LEU A 72 -4.003 5.387 -0.386 1.00 0.00 C ATOM 218 CD2 LEU A 72 -5.889 6.470 -1.659 1.00 0.00 C ATOM 0 H LEU A 72 -7.357 5.373 1.741 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.169 5.174 -0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.949 3.767 0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.166 3.775 -1.216 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.761 6.268 0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.457 6.328 -0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.739 4.881 0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.740 4.753 -1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.299 7.386 -1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.687 5.872 -2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.949 6.723 -1.624 1.00 0.00 H new ATOM 230 N ASN A 73 -8.800 2.712 -1.158 1.00 0.00 N ATOM 231 CA ASN A 73 -9.543 1.500 -1.228 1.00 0.00 C ATOM 232 C ASN A 73 -8.760 0.494 -1.993 1.00 0.00 C ATOM 233 O ASN A 73 -9.345 -0.391 -2.615 1.00 0.00 O ATOM 234 CB ASN A 73 -10.969 1.665 -1.812 1.00 0.00 C ATOM 235 CG ASN A 73 -10.976 2.095 -3.288 1.00 0.00 C ATOM 236 OD1 ASN A 73 -11.378 1.309 -4.155 1.00 0.00 O ATOM 237 ND2 ASN A 73 -10.563 3.368 -3.563 1.00 0.00 N ATOM 0 H ASN A 73 -8.522 3.085 -2.066 1.00 0.00 H new ATOM 0 HA ASN A 73 -9.699 1.158 -0.205 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.506 0.722 -1.713 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -11.512 2.404 -1.223 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.577 3.712 -4.523 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.241 3.974 -2.808 1.00 0.00 H new ATOM 244 N TYR A 74 -7.409 0.633 -1.953 1.00 0.00 N ATOM 245 CA TYR A 74 -6.443 -0.203 -2.630 1.00 0.00 C ATOM 246 C TYR A 74 -6.318 0.224 -4.067 1.00 0.00 C ATOM 247 O TYR A 74 -5.254 0.062 -4.657 1.00 0.00 O ATOM 248 CB TYR A 74 -6.633 -1.747 -2.434 1.00 0.00 C ATOM 249 CG TYR A 74 -6.040 -2.605 -3.515 1.00 0.00 C ATOM 250 CD1 TYR A 74 -6.741 -2.828 -4.689 1.00 0.00 C ATOM 251 CD2 TYR A 74 -4.847 -3.279 -3.322 1.00 0.00 C ATOM 252 CE1 TYR A 74 -6.224 -3.638 -5.680 1.00 0.00 C ATOM 253 CE2 TYR A 74 -4.332 -4.100 -4.305 1.00 0.00 C ATOM 254 CZ TYR A 74 -5.012 -4.268 -5.491 1.00 0.00 C ATOM 255 OH TYR A 74 -4.478 -5.098 -6.499 1.00 0.00 O ATOM 0 H TYR A 74 -6.965 1.376 -1.414 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.484 -0.037 -2.139 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.190 -2.034 -1.480 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.700 -1.960 -2.367 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.705 -2.362 -4.831 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.312 -3.161 -2.391 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.768 -3.778 -6.602 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.394 -4.611 -4.144 1.00 0.00 H new ATOM 0 HH TYR A 74 -3.534 -5.280 -6.307 1.00 0.00 H new ATOM 265 N SER A 75 -7.397 0.774 -4.660 1.00 0.00 N ATOM 266 CA SER A 75 -7.484 1.010 -6.071 1.00 0.00 C ATOM 267 C SER A 75 -6.757 2.255 -6.432 1.00 0.00 C ATOM 268 O SER A 75 -6.102 2.320 -7.468 1.00 0.00 O ATOM 269 CB SER A 75 -8.927 1.156 -6.563 1.00 0.00 C ATOM 270 OG SER A 75 -9.637 -0.045 -6.300 1.00 0.00 O ATOM 0 H SER A 75 -8.229 1.062 -4.145 1.00 0.00 H new ATOM 0 HA SER A 75 -7.038 0.137 -6.548 1.00 0.00 H new ATOM 0 HB2 SER A 75 -9.411 1.995 -6.062 1.00 0.00 H new ATOM 0 HB3 SER A 75 -8.939 1.372 -7.631 1.00 0.00 H new ATOM 0 HG SER A 75 -10.293 0.112 -5.589 1.00 0.00 H new ATOM 276 N THR A 76 -6.880 3.286 -5.581 1.00 0.00 N ATOM 277 CA THR A 76 -6.304 4.562 -5.873 1.00 0.00 C ATOM 278 C THR A 76 -4.879 4.550 -5.424 1.00 0.00 C ATOM 279 O THR A 76 -4.027 5.247 -5.981 1.00 0.00 O ATOM 280 CB THR A 76 -7.036 5.669 -5.186 1.00 0.00 C ATOM 281 OG1 THR A 76 -7.608 5.172 -3.985 1.00 0.00 O ATOM 282 CG2 THR A 76 -8.162 6.154 -6.112 1.00 0.00 C ATOM 0 H THR A 76 -7.377 3.238 -4.692 1.00 0.00 H new ATOM 0 HA THR A 76 -6.372 4.740 -6.946 1.00 0.00 H new ATOM 0 HB THR A 76 -6.354 6.488 -4.957 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.089 5.894 -3.528 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.709 6.963 -5.627 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.734 6.515 -7.047 1.00 0.00 H new ATOM 0 HG23 THR A 76 -8.844 5.329 -6.319 1.00 0.00 H new ATOM 290 N PHE A 77 -4.608 3.695 -4.420 1.00 0.00 N ATOM 291 CA PHE A 77 -3.291 3.444 -3.921 1.00 0.00 C ATOM 292 C PHE A 77 -2.491 2.903 -5.052 1.00 0.00 C ATOM 293 O PHE A 77 -1.365 3.337 -5.273 1.00 0.00 O ATOM 294 CB PHE A 77 -3.336 2.365 -2.821 1.00 0.00 C ATOM 295 CG PHE A 77 -2.067 2.230 -2.035 1.00 0.00 C ATOM 296 CD1 PHE A 77 -1.296 3.309 -1.632 1.00 0.00 C ATOM 297 CD2 PHE A 77 -1.692 0.963 -1.631 1.00 0.00 C ATOM 298 CE1 PHE A 77 -0.172 3.117 -0.852 1.00 0.00 C ATOM 299 CE2 PHE A 77 -0.574 0.770 -0.844 1.00 0.00 C ATOM 300 CZ PHE A 77 0.193 1.848 -0.458 1.00 0.00 C ATOM 0 H PHE A 77 -5.331 3.160 -3.939 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.866 4.361 -3.513 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.151 2.596 -2.135 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.569 1.404 -3.280 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.576 4.308 -1.930 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.282 0.111 -1.935 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.424 3.966 -0.550 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.300 -0.227 -0.531 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.074 1.699 0.149 1.00 0.00 H new ATOM 310 N ILE A 78 -3.116 1.960 -5.793 1.00 0.00 N ATOM 311 CA ILE A 78 -2.554 1.200 -6.876 1.00 0.00 C ATOM 312 C ILE A 78 -2.083 2.128 -7.951 1.00 0.00 C ATOM 313 O ILE A 78 -0.992 1.946 -8.492 1.00 0.00 O ATOM 314 CB ILE A 78 -3.585 0.219 -7.407 1.00 0.00 C ATOM 315 CG1 ILE A 78 -3.224 -1.220 -7.009 1.00 0.00 C ATOM 316 CG2 ILE A 78 -3.870 0.294 -8.923 1.00 0.00 C ATOM 317 CD1 ILE A 78 -1.984 -1.812 -7.676 1.00 0.00 C ATOM 0 H ILE A 78 -4.090 1.711 -5.620 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.697 0.629 -6.519 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.516 0.528 -6.931 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.080 -1.251 -5.929 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.075 -1.862 -7.236 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.620 -0.450 -9.189 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.239 1.288 -9.175 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.952 0.097 -9.476 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.829 -2.830 -7.318 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.123 -1.825 -8.757 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.113 -1.204 -7.430 1.00 0.00 H new ATOM 329 N ASN A 79 -2.896 3.157 -8.265 1.00 0.00 N ATOM 330 CA ASN A 79 -2.516 4.172 -9.195 1.00 0.00 C ATOM 331 C ASN A 79 -1.294 4.924 -8.850 1.00 0.00 C ATOM 332 O ASN A 79 -0.418 5.108 -9.689 1.00 0.00 O ATOM 333 CB ASN A 79 -3.580 5.230 -9.512 1.00 0.00 C ATOM 334 CG ASN A 79 -5.035 4.759 -9.530 1.00 0.00 C ATOM 335 OD1 ASN A 79 -5.925 5.479 -9.064 1.00 0.00 O ATOM 336 ND2 ASN A 79 -5.284 3.583 -10.181 1.00 0.00 N ATOM 0 H ASN A 79 -3.827 3.283 -7.867 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.346 3.543 -10.069 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.491 6.032 -8.779 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.350 5.662 -10.486 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.244 3.260 -10.302 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -4.510 3.028 -10.546 1.00 0.00 H new ATOM 343 N GLY A 80 -1.239 5.407 -7.607 1.00 0.00 N ATOM 344 CA GLY A 80 -0.138 6.229 -7.182 1.00 0.00 C ATOM 345 C GLY A 80 1.157 5.470 -7.076 1.00 0.00 C ATOM 346 O GLY A 80 2.219 6.083 -7.136 1.00 0.00 O ATOM 0 H GLY A 80 -1.946 5.237 -6.892 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.014 7.052 -7.886 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.374 6.670 -6.214 1.00 0.00 H new ATOM 350 N LEU A 81 1.118 4.131 -6.894 1.00 0.00 N ATOM 351 CA LEU A 81 2.334 3.345 -6.948 1.00 0.00 C ATOM 352 C LEU A 81 2.918 3.357 -8.312 1.00 0.00 C ATOM 353 O LEU A 81 4.129 3.306 -8.459 1.00 0.00 O ATOM 354 CB LEU A 81 2.235 1.834 -6.727 1.00 0.00 C ATOM 355 CG LEU A 81 1.128 1.382 -5.787 1.00 0.00 C ATOM 356 CD1 LEU A 81 0.939 -0.117 -5.965 1.00 0.00 C ATOM 357 CD2 LEU A 81 1.360 1.758 -4.319 1.00 0.00 C ATOM 0 H LEU A 81 0.268 3.597 -6.713 1.00 0.00 H new ATOM 0 HA LEU A 81 2.892 3.822 -6.142 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.087 1.352 -7.693 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.188 1.478 -6.336 1.00 0.00 H new ATOM 0 HG LEU A 81 0.217 1.917 -6.056 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.149 -0.466 -5.300 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.664 -0.329 -6.998 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.869 -0.632 -5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.526 1.400 -3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.285 1.300 -3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.434 2.842 -4.228 1.00 0.00 H new ATOM 369 N LYS A 82 2.055 3.355 -9.346 1.00 0.00 N ATOM 370 CA LYS A 82 2.472 3.229 -10.714 1.00 0.00 C ATOM 371 C LYS A 82 3.013 4.561 -11.124 1.00 0.00 C ATOM 372 O LYS A 82 3.898 4.658 -11.974 1.00 0.00 O ATOM 373 CB LYS A 82 1.278 2.844 -11.610 1.00 0.00 C ATOM 374 CG LYS A 82 1.618 2.610 -13.087 1.00 0.00 C ATOM 375 CD LYS A 82 0.384 2.182 -13.893 1.00 0.00 C ATOM 376 CE LYS A 82 0.659 2.004 -15.389 1.00 0.00 C ATOM 377 NZ LYS A 82 1.033 3.295 -16.007 1.00 0.00 N ATOM 0 H LYS A 82 1.045 3.443 -9.231 1.00 0.00 H new ATOM 0 HA LYS A 82 3.225 2.448 -10.818 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.822 1.938 -11.211 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.528 3.632 -11.547 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.033 3.523 -13.514 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.388 1.843 -13.166 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.004 1.244 -13.488 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.401 2.927 -13.763 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.461 1.280 -15.533 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.226 1.602 -15.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.034 3.197 -17.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.346 4.025 -15.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.982 3.572 -15.685 1.00 0.00 H new ATOM 391 N LYS A 83 2.492 5.620 -10.473 1.00 0.00 N ATOM 392 CA LYS A 83 2.907 6.974 -10.671 1.00 0.00 C ATOM 393 C LYS A 83 4.300 7.108 -10.126 1.00 0.00 C ATOM 394 O LYS A 83 5.130 7.814 -10.699 1.00 0.00 O ATOM 395 CB LYS A 83 1.945 7.938 -9.941 1.00 0.00 C ATOM 396 CG LYS A 83 1.809 9.341 -10.559 1.00 0.00 C ATOM 397 CD LYS A 83 3.023 10.260 -10.375 1.00 0.00 C ATOM 398 CE LYS A 83 2.695 11.733 -10.633 1.00 0.00 C ATOM 399 NZ LYS A 83 3.885 12.571 -10.370 1.00 0.00 N ATOM 0 H LYS A 83 1.750 5.526 -9.779 1.00 0.00 H new ATOM 0 HA LYS A 83 2.891 7.228 -11.731 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.957 7.479 -9.907 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.282 8.046 -8.910 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.615 9.232 -11.626 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.936 9.828 -10.124 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.406 10.150 -9.361 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.817 9.945 -11.052 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.368 11.866 -11.664 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.870 12.048 -9.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.653 13.569 -10.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.179 12.455 -9.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.661 12.279 -10.998 1.00 0.00 H new ATOM 413 N ALA A 84 4.595 6.403 -9.011 1.00 0.00 N ATOM 414 CA ALA A 84 5.881 6.453 -8.385 1.00 0.00 C ATOM 415 C ALA A 84 6.839 5.699 -9.254 1.00 0.00 C ATOM 416 O ALA A 84 7.911 6.204 -9.585 1.00 0.00 O ATOM 417 CB ALA A 84 5.864 5.816 -6.987 1.00 0.00 C ATOM 0 H ALA A 84 3.929 5.791 -8.540 1.00 0.00 H new ATOM 0 HA ALA A 84 6.176 7.496 -8.267 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.860 5.875 -6.548 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.156 6.349 -6.353 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.564 4.771 -7.067 1.00 0.00 H new ATOM 423 N GLY A 85 6.443 4.476 -9.660 1.00 0.00 N ATOM 424 CA GLY A 85 7.197 3.656 -10.562 1.00 0.00 C ATOM 425 C GLY A 85 7.604 2.435 -9.819 1.00 0.00 C ATOM 426 O GLY A 85 8.634 1.831 -10.116 1.00 0.00 O ATOM 0 H GLY A 85 5.572 4.045 -9.351 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.598 3.393 -11.434 1.00 0.00 H new ATOM 0 HA3 GLY A 85 8.073 4.192 -10.928 1.00 0.00 H new ATOM 430 N ILE A 86 6.790 2.055 -8.820 1.00 0.00 N ATOM 431 CA ILE A 86 7.087 0.976 -7.948 1.00 0.00 C ATOM 432 C ILE A 86 6.302 -0.173 -8.500 1.00 0.00 C ATOM 433 O ILE A 86 6.879 -1.203 -8.850 1.00 0.00 O ATOM 434 CB ILE A 86 6.638 1.284 -6.537 1.00 0.00 C ATOM 435 CG1 ILE A 86 7.279 2.582 -5.996 1.00 0.00 C ATOM 436 CG2 ILE A 86 7.012 0.087 -5.654 1.00 0.00 C ATOM 437 CD1 ILE A 86 6.589 3.077 -4.721 1.00 0.00 C ATOM 0 H ILE A 86 5.902 2.514 -8.617 1.00 0.00 H new ATOM 0 HA ILE A 86 8.156 0.772 -7.896 1.00 0.00 H new ATOM 0 HB ILE A 86 5.560 1.447 -6.529 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.335 2.406 -5.791 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.227 3.357 -6.760 1.00 0.00 H new ATOM 0 HG21 ILE A 86 6.700 0.280 -4.628 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.511 -0.808 -6.023 1.00 0.00 H new ATOM 0 HG23 ILE A 86 8.091 -0.063 -5.683 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.073 3.991 -4.377 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.539 3.279 -4.931 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.664 2.313 -3.947 1.00 0.00 H new ATOM 449 N GLU A 87 4.965 0.018 -8.593 1.00 0.00 N ATOM 450 CA GLU A 87 4.001 -0.983 -8.968 1.00 0.00 C ATOM 451 C GLU A 87 4.104 -2.129 -8.012 1.00 0.00 C ATOM 452 O GLU A 87 4.738 -3.149 -8.282 1.00 0.00 O ATOM 453 CB GLU A 87 4.069 -1.435 -10.441 1.00 0.00 C ATOM 454 CG GLU A 87 2.885 -2.315 -10.862 1.00 0.00 C ATOM 455 CD GLU A 87 3.033 -2.626 -12.344 1.00 0.00 C ATOM 456 OE1 GLU A 87 2.951 -1.671 -13.162 1.00 0.00 O ATOM 457 OE2 GLU A 87 3.230 -3.825 -12.677 1.00 0.00 O ATOM 0 H GLU A 87 4.534 0.921 -8.395 1.00 0.00 H new ATOM 0 HA GLU A 87 3.015 -0.525 -8.898 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.104 -0.554 -11.083 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.996 -1.984 -10.603 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.869 -3.236 -10.279 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.942 -1.801 -10.673 1.00 0.00 H new ATOM 464 N LEU A 88 3.478 -1.934 -6.837 1.00 0.00 N ATOM 465 CA LEU A 88 3.583 -2.816 -5.714 1.00 0.00 C ATOM 466 C LEU A 88 2.176 -3.276 -5.407 1.00 0.00 C ATOM 467 O LEU A 88 1.372 -3.285 -6.337 1.00 0.00 O ATOM 468 CB LEU A 88 4.262 -2.061 -4.550 1.00 0.00 C ATOM 469 CG LEU A 88 5.469 -2.817 -3.942 1.00 0.00 C ATOM 470 CD1 LEU A 88 6.102 -2.042 -2.771 1.00 0.00 C ATOM 471 CD2 LEU A 88 5.129 -4.255 -3.511 1.00 0.00 C ATOM 0 H LEU A 88 2.875 -1.130 -6.662 1.00 0.00 H new ATOM 0 HA LEU A 88 4.202 -3.693 -5.903 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.596 -1.086 -4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.526 -1.879 -3.767 1.00 0.00 H new ATOM 0 HG LEU A 88 6.201 -2.888 -4.746 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.945 -2.608 -2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.450 -1.071 -3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.359 -1.898 -1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.017 -4.729 -3.094 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.342 -4.232 -2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.787 -4.823 -4.376 1.00 0.00 H new ATOM 483 N ASP A 89 1.872 -3.652 -4.124 1.00 0.00 N ATOM 484 CA ASP A 89 0.618 -4.194 -3.608 1.00 0.00 C ATOM 485 C ASP A 89 -0.195 -4.880 -4.627 1.00 0.00 C ATOM 486 O ASP A 89 -1.045 -4.290 -5.294 1.00 0.00 O ATOM 487 CB ASP A 89 -0.370 -3.244 -2.898 1.00 0.00 C ATOM 488 CG ASP A 89 -0.265 -1.784 -3.278 1.00 0.00 C ATOM 489 OD1 ASP A 89 0.778 -1.149 -2.969 1.00 0.00 O ATOM 490 OD2 ASP A 89 -1.271 -1.273 -3.840 1.00 0.00 O ATOM 0 H ASP A 89 2.568 -3.568 -3.383 1.00 0.00 H new ATOM 0 HA ASP A 89 1.045 -4.861 -2.859 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.385 -3.583 -3.107 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -0.220 -3.332 -1.822 1.00 0.00 H new ATOM 495 N ARG A 90 0.048 -6.186 -4.735 1.00 0.00 N ATOM 496 CA ARG A 90 -0.887 -7.019 -5.394 1.00 0.00 C ATOM 497 C ARG A 90 -0.938 -8.190 -4.497 1.00 0.00 C ATOM 498 O ARG A 90 -1.950 -8.886 -4.454 1.00 0.00 O ATOM 499 CB ARG A 90 -0.431 -7.500 -6.785 1.00 0.00 C ATOM 500 CG ARG A 90 -0.415 -6.379 -7.834 1.00 0.00 C ATOM 501 CD ARG A 90 0.042 -6.850 -9.215 1.00 0.00 C ATOM 502 NE ARG A 90 -0.075 -5.690 -10.146 1.00 0.00 N ATOM 503 CZ ARG A 90 0.318 -5.797 -11.449 1.00 0.00 C ATOM 504 NH1 ARG A 90 0.888 -6.949 -11.907 1.00 0.00 N ATOM 505 NH2 ARG A 90 0.134 -4.745 -12.301 1.00 0.00 N ATOM 0 H ARG A 90 0.876 -6.659 -4.373 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.826 -6.493 -5.568 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.568 -7.929 -6.705 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.094 -8.296 -7.123 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.415 -5.953 -7.916 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.245 -5.581 -7.493 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.071 -7.209 -9.177 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -0.573 -7.682 -9.559 1.00 0.00 H new ATOM 0 HE ARG A 90 -0.453 -4.806 -9.805 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.023 -7.738 -11.274 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.179 -7.021 -12.882 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.296 -3.884 -11.963 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.426 -4.821 -13.275 1.00 0.00 H new ATOM 519 N LYS A 91 0.178 -8.404 -3.760 1.00 0.00 N ATOM 520 CA LYS A 91 0.406 -9.522 -2.933 1.00 0.00 C ATOM 521 C LYS A 91 1.828 -9.386 -2.519 1.00 0.00 C ATOM 522 O LYS A 91 2.719 -9.141 -3.332 1.00 0.00 O ATOM 523 CB LYS A 91 0.163 -10.911 -3.572 1.00 0.00 C ATOM 524 CG LYS A 91 0.768 -11.134 -4.967 1.00 0.00 C ATOM 525 CD LYS A 91 0.077 -12.275 -5.725 1.00 0.00 C ATOM 526 CE LYS A 91 -1.363 -11.937 -6.143 1.00 0.00 C ATOM 527 NZ LYS A 91 -1.943 -13.060 -6.911 1.00 0.00 N ATOM 0 H LYS A 91 0.957 -7.746 -3.754 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.316 -9.508 -2.116 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.562 -11.671 -2.900 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.913 -11.075 -3.635 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.688 -10.214 -5.547 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.830 -11.357 -4.869 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.659 -12.518 -6.614 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.067 -13.166 -5.097 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.970 -11.738 -5.260 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.372 -11.030 -6.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.917 -12.824 -7.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.371 -13.230 -7.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.950 -13.917 -6.321 1.00 0.00 H new ATOM 541 N ILE A 92 2.020 -9.554 -1.197 1.00 0.00 N ATOM 542 CA ILE A 92 3.240 -9.911 -0.528 1.00 0.00 C ATOM 543 C ILE A 92 4.006 -8.632 -0.302 1.00 0.00 C ATOM 544 O ILE A 92 5.215 -8.579 -0.095 1.00 0.00 O ATOM 545 CB ILE A 92 3.930 -11.086 -1.200 1.00 0.00 C ATOM 546 CG1 ILE A 92 2.905 -12.243 -1.405 1.00 0.00 C ATOM 547 CG2 ILE A 92 5.206 -11.530 -0.452 1.00 0.00 C ATOM 548 CD1 ILE A 92 3.290 -13.613 -0.841 1.00 0.00 C ATOM 0 H ILE A 92 1.253 -9.429 -0.537 1.00 0.00 H new ATOM 0 HA ILE A 92 3.092 -10.335 0.465 1.00 0.00 H new ATOM 0 HB ILE A 92 4.282 -10.770 -2.182 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.959 -11.943 -0.954 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.727 -12.354 -2.475 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.659 -12.372 -0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.914 -10.702 -0.416 1.00 0.00 H new ATOM 0 HG23 ILE A 92 4.947 -11.830 0.563 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.495 -14.329 -1.049 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.215 -13.952 -1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.435 -13.535 0.236 1.00 0.00 H new ATOM 560 N LEU A 93 3.227 -7.543 -0.267 1.00 0.00 N ATOM 561 CA LEU A 93 3.562 -6.323 0.442 1.00 0.00 C ATOM 562 C LEU A 93 2.615 -6.213 1.533 1.00 0.00 C ATOM 563 O LEU A 93 2.868 -5.585 2.547 1.00 0.00 O ATOM 564 CB LEU A 93 3.217 -5.096 -0.364 1.00 0.00 C ATOM 565 CG LEU A 93 2.577 -3.799 0.226 1.00 0.00 C ATOM 566 CD1 LEU A 93 3.017 -2.577 -0.593 1.00 0.00 C ATOM 567 CD2 LEU A 93 1.042 -3.807 0.344 1.00 0.00 C ATOM 0 H LEU A 93 2.327 -7.495 -0.745 1.00 0.00 H new ATOM 0 HA LEU A 93 4.620 -6.369 0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.142 -4.783 -0.847 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.544 -5.433 -1.152 1.00 0.00 H new ATOM 0 HG LEU A 93 2.946 -3.750 1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.566 -1.677 -0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.103 -2.488 -0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.695 -2.697 -1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.704 -2.860 0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.602 -3.943 -0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.731 -4.624 0.995 1.00 0.00 H new ATOM 579 N ALA A 94 1.449 -6.777 1.244 1.00 0.00 N ATOM 580 CA ALA A 94 0.296 -6.939 2.054 1.00 0.00 C ATOM 581 C ALA A 94 0.614 -7.648 3.306 1.00 0.00 C ATOM 582 O ALA A 94 -0.094 -7.511 4.297 1.00 0.00 O ATOM 583 CB ALA A 94 -0.647 -7.874 1.337 1.00 0.00 C ATOM 0 H ALA A 94 1.294 -7.173 0.317 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.110 -5.947 2.252 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -1.545 -8.017 1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.921 -7.446 0.373 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.158 -8.835 1.181 1.00 0.00 H new ATOM 589 N ASP A 95 1.703 -8.429 3.271 1.00 0.00 N ATOM 590 CA ASP A 95 2.242 -9.003 4.442 1.00 0.00 C ATOM 591 C ASP A 95 2.698 -7.906 5.309 1.00 0.00 C ATOM 592 O ASP A 95 2.355 -7.832 6.480 1.00 0.00 O ATOM 593 CB ASP A 95 3.414 -9.952 4.145 1.00 0.00 C ATOM 594 CG ASP A 95 4.753 -9.362 3.696 1.00 0.00 C ATOM 595 OD1 ASP A 95 4.795 -8.692 2.636 1.00 0.00 O ATOM 596 OD2 ASP A 95 5.756 -9.580 4.427 1.00 0.00 O ATOM 0 H ASP A 95 2.210 -8.660 2.417 1.00 0.00 H new ATOM 0 HA ASP A 95 1.470 -9.601 4.927 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.598 -10.538 5.045 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.086 -10.648 3.373 1.00 0.00 H new ATOM 601 N MET A 96 3.469 -6.995 4.726 1.00 0.00 N ATOM 602 CA MET A 96 3.992 -5.902 5.494 1.00 0.00 C ATOM 603 C MET A 96 2.865 -4.950 5.837 1.00 0.00 C ATOM 604 O MET A 96 2.974 -4.186 6.785 1.00 0.00 O ATOM 605 CB MET A 96 5.186 -5.213 4.800 1.00 0.00 C ATOM 606 CG MET A 96 5.191 -3.690 4.710 1.00 0.00 C ATOM 607 SD MET A 96 6.558 -3.101 3.673 1.00 0.00 S ATOM 608 CE MET A 96 5.559 -3.012 2.178 1.00 0.00 C ATOM 0 H MET A 96 3.735 -7.001 3.741 1.00 0.00 H new ATOM 0 HA MET A 96 4.404 -6.287 6.427 1.00 0.00 H new ATOM 0 HB2 MET A 96 6.094 -5.518 5.320 1.00 0.00 H new ATOM 0 HB3 MET A 96 5.253 -5.606 3.786 1.00 0.00 H new ATOM 0 HG2 MET A 96 4.243 -3.344 4.298 1.00 0.00 H new ATOM 0 HG3 MET A 96 5.279 -3.264 5.709 1.00 0.00 H new ATOM 0 HE1 MET A 96 6.202 -2.802 1.323 1.00 0.00 H new ATOM 0 HE2 MET A 96 5.049 -3.963 2.024 1.00 0.00 H new ATOM 0 HE3 MET A 96 4.820 -2.217 2.281 1.00 0.00 H new ATOM 618 N ALA A 97 1.735 -4.981 5.101 1.00 0.00 N ATOM 619 CA ALA A 97 0.673 -4.032 5.291 1.00 0.00 C ATOM 620 C ALA A 97 0.055 -4.145 6.642 1.00 0.00 C ATOM 621 O ALA A 97 -0.282 -3.129 7.249 1.00 0.00 O ATOM 622 CB ALA A 97 -0.457 -4.147 4.263 1.00 0.00 C ATOM 0 H ALA A 97 1.555 -5.668 4.369 1.00 0.00 H new ATOM 0 HA ALA A 97 1.165 -3.067 5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.219 -3.397 4.475 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.056 -3.985 3.262 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -0.901 -5.141 4.320 1.00 0.00 H new ATOM 628 N VAL A 98 -0.100 -5.385 7.142 1.00 0.00 N ATOM 629 CA VAL A 98 -0.758 -5.603 8.387 1.00 0.00 C ATOM 630 C VAL A 98 0.320 -5.805 9.399 1.00 0.00 C ATOM 631 O VAL A 98 0.250 -5.288 10.513 1.00 0.00 O ATOM 632 CB VAL A 98 -1.604 -6.855 8.398 1.00 0.00 C ATOM 633 CG1 VAL A 98 -2.823 -6.600 9.299 1.00 0.00 C ATOM 634 CG2 VAL A 98 -1.998 -7.278 6.970 1.00 0.00 C ATOM 0 H VAL A 98 0.231 -6.233 6.682 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.412 -4.754 8.584 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.035 -7.692 8.803 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.450 -7.491 9.323 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.486 -6.366 10.309 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.398 -5.762 8.905 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.606 -8.182 7.013 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.569 -6.478 6.498 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.098 -7.474 6.387 1.00 0.00 H new ATOM 644 N ARG A 99 1.337 -6.604 9.015 1.00 0.00 N ATOM 645 CA ARG A 99 2.224 -7.205 9.965 1.00 0.00 C ATOM 646 C ARG A 99 3.415 -6.326 10.243 1.00 0.00 C ATOM 647 O ARG A 99 3.968 -6.398 11.339 1.00 0.00 O ATOM 648 CB ARG A 99 2.731 -8.607 9.540 1.00 0.00 C ATOM 649 CG ARG A 99 1.642 -9.703 9.427 1.00 0.00 C ATOM 650 CD ARG A 99 0.917 -9.878 8.078 1.00 0.00 C ATOM 651 NE ARG A 99 -0.024 -11.026 8.244 1.00 0.00 N ATOM 652 CZ ARG A 99 -0.425 -11.802 7.193 1.00 0.00 C ATOM 653 NH1 ARG A 99 -0.021 -11.528 5.921 1.00 0.00 N ATOM 654 NH2 ARG A 99 -1.243 -12.871 7.422 1.00 0.00 N ATOM 0 H ARG A 99 1.544 -6.833 8.043 1.00 0.00 H new ATOM 0 HA ARG A 99 1.626 -7.324 10.869 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.232 -8.516 8.576 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.481 -8.937 10.259 1.00 0.00 H new ATOM 0 HG2 ARG A 99 2.103 -10.657 9.683 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.887 -9.500 10.186 1.00 0.00 H new ATOM 0 HD2 ARG A 99 0.377 -8.971 7.808 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.630 -10.075 7.278 1.00 0.00 H new ATOM 0 HE ARG A 99 -0.380 -11.239 9.176 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.591 -10.732 5.741 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.331 -12.119 5.149 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -1.550 -13.085 8.371 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -1.548 -13.456 6.644 1.00 0.00 H new ATOM 668 N ASP A 100 3.840 -5.477 9.275 1.00 0.00 N ATOM 669 CA ASP A 100 4.940 -4.562 9.450 1.00 0.00 C ATOM 670 C ASP A 100 4.499 -3.154 9.121 1.00 0.00 C ATOM 671 O ASP A 100 4.865 -2.645 8.067 1.00 0.00 O ATOM 672 CB ASP A 100 6.093 -4.930 8.504 1.00 0.00 C ATOM 673 CG ASP A 100 7.424 -4.454 9.071 1.00 0.00 C ATOM 674 OD1 ASP A 100 7.632 -3.217 9.179 1.00 0.00 O ATOM 675 OD2 ASP A 100 8.259 -5.336 9.404 1.00 0.00 O ATOM 0 H ASP A 100 3.410 -5.426 8.352 1.00 0.00 H new ATOM 0 HA ASP A 100 5.270 -4.624 10.487 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.119 -6.010 8.357 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.926 -4.479 7.526 1.00 0.00 H new ATOM 680 N PRO A 101 3.738 -2.463 9.931 1.00 0.00 N ATOM 681 CA PRO A 101 3.119 -1.215 9.562 1.00 0.00 C ATOM 682 C PRO A 101 4.128 -0.104 9.598 1.00 0.00 C ATOM 683 O PRO A 101 3.776 1.010 9.223 1.00 0.00 O ATOM 684 CB PRO A 101 2.029 -0.991 10.613 1.00 0.00 C ATOM 685 CG PRO A 101 2.458 -1.849 11.809 1.00 0.00 C ATOM 686 CD PRO A 101 3.219 -2.998 11.159 1.00 0.00 C ATOM 0 HA PRO A 101 2.712 -1.236 8.551 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.954 0.061 10.887 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.051 -1.294 10.239 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.088 -1.289 12.501 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.599 -2.206 12.377 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.023 -3.352 11.804 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.563 -3.848 10.971 1.00 0.00 H new ATOM 694 N GLN A 102 5.376 -0.376 10.028 1.00 0.00 N ATOM 695 CA GLN A 102 6.425 0.592 9.981 1.00 0.00 C ATOM 696 C GLN A 102 6.806 0.772 8.548 1.00 0.00 C ATOM 697 O GLN A 102 6.926 1.901 8.075 1.00 0.00 O ATOM 698 CB GLN A 102 7.681 0.131 10.747 1.00 0.00 C ATOM 699 CG GLN A 102 8.832 1.146 10.712 1.00 0.00 C ATOM 700 CD GLN A 102 10.018 0.560 11.479 1.00 0.00 C ATOM 701 OE1 GLN A 102 10.346 1.007 12.584 1.00 0.00 O ATOM 702 NE2 GLN A 102 10.672 -0.464 10.852 1.00 0.00 N ATOM 0 H GLN A 102 5.658 -1.278 10.412 1.00 0.00 H new ATOM 0 HA GLN A 102 6.065 1.512 10.442 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.412 -0.064 11.785 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.027 -0.812 10.325 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.116 1.361 9.682 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.519 2.089 11.160 1.00 0.00 H new ATOM 0 HE21 GLN A 102 10.353 -0.790 9.939 1.00 0.00 H new ATOM 0 HE22 GLN A 102 11.478 -0.902 11.297 1.00 0.00 H new ATOM 711 N ALA A 103 7.005 -0.348 7.821 1.00 0.00 N ATOM 712 CA ALA A 103 7.571 -0.301 6.513 1.00 0.00 C ATOM 713 C ALA A 103 6.437 -0.116 5.573 1.00 0.00 C ATOM 714 O ALA A 103 6.595 0.514 4.525 1.00 0.00 O ATOM 715 CB ALA A 103 8.342 -1.581 6.172 1.00 0.00 C ATOM 0 H ALA A 103 6.771 -1.286 8.145 1.00 0.00 H new ATOM 0 HA ALA A 103 8.292 0.514 6.446 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.755 -1.500 5.167 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.153 -1.719 6.888 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.667 -2.436 6.219 1.00 0.00 H new ATOM 721 N PHE A 104 5.247 -0.640 5.945 1.00 0.00 N ATOM 722 CA PHE A 104 4.080 -0.291 5.182 1.00 0.00 C ATOM 723 C PHE A 104 3.873 1.191 5.114 1.00 0.00 C ATOM 724 O PHE A 104 3.578 1.710 4.041 1.00 0.00 O ATOM 725 CB PHE A 104 2.771 -0.865 5.727 1.00 0.00 C ATOM 726 CG PHE A 104 1.686 -0.598 4.734 1.00 0.00 C ATOM 727 CD1 PHE A 104 1.798 -1.040 3.426 1.00 0.00 C ATOM 728 CD2 PHE A 104 0.551 0.092 5.118 1.00 0.00 C ATOM 729 CE1 PHE A 104 0.815 -0.750 2.506 1.00 0.00 C ATOM 730 CE2 PHE A 104 -0.446 0.360 4.201 1.00 0.00 C ATOM 731 CZ PHE A 104 -0.305 -0.052 2.893 1.00 0.00 C ATOM 0 H PHE A 104 5.095 -1.272 6.731 1.00 0.00 H new ATOM 0 HA PHE A 104 4.292 -0.723 4.204 1.00 0.00 H new ATOM 0 HB2 PHE A 104 2.870 -1.937 5.900 1.00 0.00 H new ATOM 0 HB3 PHE A 104 2.527 -0.408 6.686 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.661 -1.615 3.126 1.00 0.00 H new ATOM 0 HD2 PHE A 104 0.444 0.423 6.140 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.924 -1.071 1.480 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.335 0.891 4.508 1.00 0.00 H new ATOM 0 HZ PHE A 104 -1.076 0.174 2.171 1.00 0.00 H new ATOM 741 N GLU A 105 4.032 1.919 6.241 1.00 0.00 N ATOM 742 CA GLU A 105 3.789 3.335 6.238 1.00 0.00 C ATOM 743 C GLU A 105 4.873 4.106 5.537 1.00 0.00 C ATOM 744 O GLU A 105 4.685 5.285 5.254 1.00 0.00 O ATOM 745 CB GLU A 105 3.619 3.938 7.640 1.00 0.00 C ATOM 746 CG GLU A 105 2.235 3.645 8.230 1.00 0.00 C ATOM 747 CD GLU A 105 2.212 4.155 9.661 1.00 0.00 C ATOM 748 OE1 GLU A 105 2.401 5.386 9.855 1.00 0.00 O ATOM 749 OE2 GLU A 105 2.005 3.321 10.584 1.00 0.00 O ATOM 0 H GLU A 105 4.324 1.535 7.140 1.00 0.00 H new ATOM 0 HA GLU A 105 2.848 3.432 5.696 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.387 3.538 8.302 1.00 0.00 H new ATOM 0 HB3 GLU A 105 3.771 5.016 7.591 1.00 0.00 H new ATOM 0 HG2 GLU A 105 1.459 4.133 7.640 1.00 0.00 H new ATOM 0 HG3 GLU A 105 2.029 2.575 8.204 1.00 0.00 H new ATOM 756 N GLN A 106 6.017 3.469 5.216 1.00 0.00 N ATOM 757 CA GLN A 106 7.048 4.100 4.434 1.00 0.00 C ATOM 758 C GLN A 106 6.666 4.066 2.986 1.00 0.00 C ATOM 759 O GLN A 106 6.928 5.016 2.247 1.00 0.00 O ATOM 760 CB GLN A 106 8.397 3.371 4.525 1.00 0.00 C ATOM 761 CG GLN A 106 9.128 3.636 5.844 1.00 0.00 C ATOM 762 CD GLN A 106 10.378 2.759 5.885 1.00 0.00 C ATOM 763 OE1 GLN A 106 11.199 2.768 4.961 1.00 0.00 O ATOM 764 NE2 GLN A 106 10.509 1.982 7.004 1.00 0.00 N ATOM 0 H GLN A 106 6.232 2.513 5.498 1.00 0.00 H new ATOM 0 HA GLN A 106 7.148 5.111 4.828 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.233 2.299 4.415 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.030 3.684 3.695 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.400 4.689 5.922 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.478 3.411 6.690 1.00 0.00 H new ATOM 0 HE21 GLN A 106 9.798 2.017 7.735 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.317 1.368 7.107 1.00 0.00 H new ATOM 773 N VAL A 107 6.035 2.953 2.556 1.00 0.00 N ATOM 774 CA VAL A 107 5.598 2.796 1.187 1.00 0.00 C ATOM 775 C VAL A 107 4.508 3.793 0.946 1.00 0.00 C ATOM 776 O VAL A 107 4.443 4.415 -0.111 1.00 0.00 O ATOM 777 CB VAL A 107 5.074 1.406 0.870 1.00 0.00 C ATOM 778 CG1 VAL A 107 4.436 1.360 -0.536 1.00 0.00 C ATOM 779 CG2 VAL A 107 6.251 0.420 0.955 1.00 0.00 C ATOM 0 H VAL A 107 5.824 2.155 3.156 1.00 0.00 H new ATOM 0 HA VAL A 107 6.461 2.953 0.540 1.00 0.00 H new ATOM 0 HB VAL A 107 4.300 1.135 1.588 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.069 0.353 -0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.605 2.064 -0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 107 5.182 1.630 -1.283 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.899 -0.587 0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 107 7.017 0.705 0.234 1.00 0.00 H new ATOM 0 HG23 VAL A 107 6.672 0.442 1.960 1.00 0.00 H new ATOM 789 N VAL A 108 3.643 3.972 1.957 1.00 0.00 N ATOM 790 CA VAL A 108 2.538 4.881 1.923 1.00 0.00 C ATOM 791 C VAL A 108 3.045 6.289 1.890 1.00 0.00 C ATOM 792 O VAL A 108 2.454 7.140 1.235 1.00 0.00 O ATOM 793 CB VAL A 108 1.681 4.666 3.147 1.00 0.00 C ATOM 794 CG1 VAL A 108 0.730 5.843 3.409 1.00 0.00 C ATOM 795 CG2 VAL A 108 0.915 3.351 2.941 1.00 0.00 C ATOM 0 H VAL A 108 3.715 3.462 2.837 1.00 0.00 H new ATOM 0 HA VAL A 108 1.941 4.702 1.029 1.00 0.00 H new ATOM 0 HB VAL A 108 2.311 4.606 4.034 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.136 5.639 4.300 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.310 6.753 3.560 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.068 5.973 2.553 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.282 3.159 3.807 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.295 3.427 2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.624 2.532 2.821 1.00 0.00 H new ATOM 805 N ASN A 109 4.159 6.564 2.591 1.00 0.00 N ATOM 806 CA ASN A 109 4.716 7.890 2.676 1.00 0.00 C ATOM 807 C ASN A 109 5.331 8.284 1.360 1.00 0.00 C ATOM 808 O ASN A 109 5.415 9.466 1.034 1.00 0.00 O ATOM 809 CB ASN A 109 5.799 7.991 3.769 1.00 0.00 C ATOM 810 CG ASN A 109 6.259 9.440 3.926 1.00 0.00 C ATOM 811 OD1 ASN A 109 5.471 10.328 4.272 1.00 0.00 O ATOM 812 ND2 ASN A 109 7.584 9.663 3.667 1.00 0.00 N ATOM 0 H ASN A 109 4.685 5.860 3.109 1.00 0.00 H new ATOM 0 HA ASN A 109 3.896 8.561 2.930 1.00 0.00 H new ATOM 0 HB2 ASN A 109 5.405 7.622 4.716 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.648 7.359 3.509 1.00 0.00 H new ATOM 0 HD21 ASN A 109 7.970 10.603 3.756 1.00 0.00 H new ATOM 0 HD22 ASN A 109 8.186 8.889 3.385 1.00 0.00 H new ATOM 819 N LYS A 110 5.774 7.299 0.558 1.00 0.00 N ATOM 820 CA LYS A 110 6.282 7.600 -0.750 1.00 0.00 C ATOM 821 C LYS A 110 5.136 7.904 -1.679 1.00 0.00 C ATOM 822 O LYS A 110 5.220 8.808 -2.507 1.00 0.00 O ATOM 823 CB LYS A 110 7.107 6.429 -1.317 1.00 0.00 C ATOM 824 CG LYS A 110 7.804 6.751 -2.644 1.00 0.00 C ATOM 825 CD LYS A 110 8.887 5.724 -2.999 1.00 0.00 C ATOM 826 CE LYS A 110 9.498 5.945 -4.387 1.00 0.00 C ATOM 827 NZ LYS A 110 10.160 7.266 -4.460 1.00 0.00 N ATOM 0 H LYS A 110 5.782 6.310 0.806 1.00 0.00 H new ATOM 0 HA LYS A 110 6.936 8.468 -0.667 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.859 6.137 -0.584 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.451 5.570 -1.460 1.00 0.00 H new ATOM 0 HG2 LYS A 110 7.063 6.784 -3.442 1.00 0.00 H new ATOM 0 HG3 LYS A 110 8.253 7.743 -2.585 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.678 5.766 -2.250 1.00 0.00 H new ATOM 0 HD3 LYS A 110 8.458 4.723 -2.953 1.00 0.00 H new ATOM 0 HE2 LYS A 110 10.221 5.158 -4.602 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.720 5.880 -5.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 10.654 7.357 -5.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 9.446 8.017 -4.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 10.846 7.354 -3.683 1.00 0.00 H new ATOM 841 N VAL A 111 4.039 7.130 -1.558 1.00 0.00 N ATOM 842 CA VAL A 111 2.935 7.130 -2.481 1.00 0.00 C ATOM 843 C VAL A 111 1.918 8.166 -2.122 1.00 0.00 C ATOM 844 O VAL A 111 1.010 8.421 -2.897 1.00 0.00 O ATOM 845 CB VAL A 111 2.355 5.719 -2.569 1.00 0.00 C ATOM 846 CG1 VAL A 111 1.012 5.632 -3.321 1.00 0.00 C ATOM 847 CG2 VAL A 111 3.412 4.845 -3.274 1.00 0.00 C ATOM 0 H VAL A 111 3.913 6.476 -0.786 1.00 0.00 H new ATOM 0 HA VAL A 111 3.288 7.408 -3.474 1.00 0.00 H new ATOM 0 HB VAL A 111 2.134 5.377 -1.558 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.671 4.597 -3.338 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.271 6.250 -2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 111 1.144 5.987 -4.343 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.041 3.824 -3.360 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.610 5.244 -4.269 1.00 0.00 H new ATOM 0 HG23 VAL A 111 4.334 4.848 -2.692 1.00 0.00 H new ATOM 857 N LYS A 112 2.044 8.865 -0.984 1.00 0.00 N ATOM 858 CA LYS A 112 1.088 9.900 -0.700 1.00 0.00 C ATOM 859 C LYS A 112 1.402 11.085 -1.541 1.00 0.00 C ATOM 860 O LYS A 112 0.541 11.896 -1.852 1.00 0.00 O ATOM 861 CB LYS A 112 1.049 10.309 0.790 1.00 0.00 C ATOM 862 CG LYS A 112 2.371 10.771 1.422 1.00 0.00 C ATOM 863 CD LYS A 112 2.636 12.282 1.381 1.00 0.00 C ATOM 864 CE LYS A 112 4.011 12.656 1.939 1.00 0.00 C ATOM 865 NZ LYS A 112 4.236 14.110 1.803 1.00 0.00 N ATOM 0 H LYS A 112 2.772 8.728 -0.283 1.00 0.00 H new ATOM 0 HA LYS A 112 0.100 9.503 -0.933 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.321 11.113 0.902 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.677 9.460 1.364 1.00 0.00 H new ATOM 0 HG2 LYS A 112 2.388 10.446 2.462 1.00 0.00 H new ATOM 0 HG3 LYS A 112 3.192 10.263 0.916 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.559 12.632 0.352 1.00 0.00 H new ATOM 0 HD3 LYS A 112 1.864 12.798 1.952 1.00 0.00 H new ATOM 0 HE2 LYS A 112 4.077 12.366 2.988 1.00 0.00 H new ATOM 0 HE3 LYS A 112 4.789 12.108 1.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 5.228 14.330 2.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 4.026 14.404 0.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 3.613 14.621 2.461 1.00 0.00 H new ATOM 879 N GLU A 113 2.670 11.183 -1.932 1.00 0.00 N ATOM 880 CA GLU A 113 3.189 12.246 -2.729 1.00 0.00 C ATOM 881 C GLU A 113 3.050 11.922 -4.167 1.00 0.00 C ATOM 882 O GLU A 113 2.724 12.776 -4.989 1.00 0.00 O ATOM 883 CB GLU A 113 4.680 12.325 -2.450 1.00 0.00 C ATOM 884 CG GLU A 113 5.450 13.304 -3.332 1.00 0.00 C ATOM 885 CD GLU A 113 6.873 13.398 -2.802 1.00 0.00 C ATOM 886 OE1 GLU A 113 7.571 12.348 -2.783 1.00 0.00 O ATOM 887 OE2 GLU A 113 7.282 14.522 -2.406 1.00 0.00 O ATOM 0 H GLU A 113 3.375 10.489 -1.683 1.00 0.00 H new ATOM 0 HA GLU A 113 2.659 13.170 -2.497 1.00 0.00 H new ATOM 0 HB2 GLU A 113 4.825 12.607 -1.407 1.00 0.00 H new ATOM 0 HB3 GLU A 113 5.111 11.331 -2.574 1.00 0.00 H new ATOM 0 HG2 GLU A 113 5.451 12.964 -4.368 1.00 0.00 H new ATOM 0 HG3 GLU A 113 4.973 14.284 -3.319 1.00 0.00 H new ATOM 894 N ALA A 114 3.335 10.654 -4.481 1.00 0.00 N ATOM 895 CA ALA A 114 3.260 10.164 -5.833 1.00 0.00 C ATOM 896 C ALA A 114 1.834 10.132 -6.290 1.00 0.00 C ATOM 897 O ALA A 114 1.542 10.401 -7.452 1.00 0.00 O ATOM 898 CB ALA A 114 3.815 8.747 -5.995 1.00 0.00 C ATOM 0 H ALA A 114 3.621 9.953 -3.798 1.00 0.00 H new ATOM 0 HA ALA A 114 3.865 10.848 -6.428 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.728 8.439 -7.037 1.00 0.00 H new ATOM 0 HB2 ALA A 114 4.864 8.731 -5.698 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.249 8.060 -5.365 1.00 0.00 H new ATOM 904 N LEU A 115 0.904 9.832 -5.365 1.00 0.00 N ATOM 905 CA LEU A 115 -0.508 9.877 -5.631 1.00 0.00 C ATOM 906 C LEU A 115 -0.840 11.318 -5.698 1.00 0.00 C ATOM 907 O LEU A 115 -1.626 11.750 -6.542 1.00 0.00 O ATOM 908 CB LEU A 115 -1.341 9.176 -4.553 1.00 0.00 C ATOM 909 CG LEU A 115 -2.847 9.318 -4.786 1.00 0.00 C ATOM 910 CD1 LEU A 115 -3.340 8.711 -6.114 1.00 0.00 C ATOM 911 CD2 LEU A 115 -3.642 8.732 -3.609 1.00 0.00 C ATOM 0 H LEU A 115 1.134 9.552 -4.411 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.742 9.347 -6.554 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -1.079 8.118 -4.528 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.088 9.590 -3.577 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.028 10.391 -4.856 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -4.417 8.854 -6.202 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.840 9.204 -6.947 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.113 7.645 -6.134 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -4.709 8.845 -3.799 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -3.403 7.674 -3.499 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -3.378 9.260 -2.693 1.00 0.00 H new ATOM 923 N GLN A 116 -0.202 12.070 -4.794 1.00 0.00 N ATOM 924 CA GLN A 116 -0.403 13.482 -4.654 1.00 0.00 C ATOM 925 C GLN A 116 -1.765 13.683 -4.079 1.00 0.00 C ATOM 926 O GLN A 116 -2.566 14.491 -4.547 1.00 0.00 O ATOM 927 CB GLN A 116 -0.149 14.328 -5.921 1.00 0.00 C ATOM 928 CG GLN A 116 0.134 15.804 -5.620 1.00 0.00 C ATOM 929 CD GLN A 116 0.498 16.496 -6.930 1.00 0.00 C ATOM 930 OE1 GLN A 116 -0.323 17.200 -7.530 1.00 0.00 O ATOM 931 NE2 GLN A 116 1.777 16.283 -7.369 1.00 0.00 N ATOM 0 H GLN A 116 0.478 11.689 -4.136 1.00 0.00 H new ATOM 0 HA GLN A 116 0.365 13.864 -3.981 1.00 0.00 H new ATOM 0 HB2 GLN A 116 0.696 13.908 -6.466 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -1.018 14.258 -6.576 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -0.741 16.275 -5.171 1.00 0.00 H new ATOM 0 HG3 GLN A 116 0.949 15.896 -4.902 1.00 0.00 H new ATOM 0 HE21 GLN A 116 2.409 15.691 -6.830 1.00 0.00 H new ATOM 0 HE22 GLN A 116 2.098 16.716 -8.235 1.00 0.00 H new ATOM 940 N VAL A 117 -2.010 12.935 -2.986 1.00 0.00 N ATOM 941 CA VAL A 117 -3.089 13.182 -2.083 1.00 0.00 C ATOM 942 C VAL A 117 -2.475 14.081 -1.053 1.00 0.00 C ATOM 943 O VAL A 117 -3.173 14.664 -0.225 1.00 0.00 O ATOM 944 CB VAL A 117 -3.662 11.904 -1.486 1.00 0.00 C ATOM 945 CG1 VAL A 117 -2.607 11.134 -0.669 1.00 0.00 C ATOM 946 CG2 VAL A 117 -4.941 12.202 -0.678 1.00 0.00 C ATOM 0 H VAL A 117 -1.437 12.133 -2.724 1.00 0.00 H new ATOM 0 HA VAL A 117 -3.952 13.633 -2.572 1.00 0.00 H new ATOM 0 HB VAL A 117 -3.949 11.245 -2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -3.054 10.228 -0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -1.771 10.866 -1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -2.248 11.762 0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -5.332 11.274 -0.261 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -4.707 12.893 0.132 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -5.689 12.650 -1.333 1.00 0.00 H new ATOM 956 N GLN A 118 -1.128 14.244 -1.126 1.00 0.00 N ATOM 957 CA GLN A 118 -0.439 15.188 -0.281 1.00 0.00 C ATOM 958 C GLN A 118 -0.999 16.602 -0.466 1.00 0.00 C ATOM 959 O GLN A 118 -1.551 16.906 -1.558 1.00 0.00 O ATOM 960 CB GLN A 118 1.084 15.279 -0.530 1.00 0.00 C ATOM 961 CG GLN A 118 1.473 15.908 -1.877 1.00 0.00 C ATOM 962 CD GLN A 118 2.995 15.977 -1.993 1.00 0.00 C ATOM 963 OE1 GLN A 118 3.738 15.557 -1.099 1.00 0.00 O ATOM 964 NE2 GLN A 118 3.455 16.540 -3.153 1.00 0.00 N ATOM 965 OXT GLN A 118 -0.867 17.403 0.497 1.00 0.00 O ATOM 0 H GLN A 118 -0.523 13.727 -1.764 1.00 0.00 H new ATOM 0 HA GLN A 118 -0.604 14.808 0.727 1.00 0.00 H new ATOM 0 HB2 GLN A 118 1.536 15.861 0.273 1.00 0.00 H new ATOM 0 HB3 GLN A 118 1.509 14.277 -0.475 1.00 0.00 H new ATOM 0 HG2 GLN A 118 1.063 15.318 -2.697 1.00 0.00 H new ATOM 0 HG3 GLN A 118 1.047 16.908 -1.959 1.00 0.00 H new ATOM 0 HE21 GLN A 118 2.794 16.870 -3.857 1.00 0.00 H new ATOM 0 HE22 GLN A 118 4.458 16.630 -3.313 1.00 0.00 H new TER 974 GLN A 118