USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 873 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 111 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 142 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 102 SER OG : rot -74:sc= 0.608 USER MOD Set 2.2: A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 47 LYS NZ :NH3+ -160:sc= 1.18 (180deg=0.574) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 77:sc= 0.605 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -0.219 X(o=-0.22,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0197 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.1) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 163:sc= 1.27 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot -134:sc= 0.163 USER MOD Single : A 119 LYS NZ :NH3+ -145:sc= 1.19 (180deg=-0.403) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot -61:sc= 0.641 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 130 TYR OH : rot 21:sc= 0.737 USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 138 CYS SG : rot 32:sc= -0.661 USER MOD Single : A 144 LYS NZ :NH3+ -121:sc= 0.782 (180deg=-0.657) USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N GLU A 35 -7.730 19.100 -1.212 1.00 0.00 N ATOM 43 CA GLU A 35 -6.304 19.030 -0.819 1.00 0.00 C ATOM 44 C GLU A 35 -5.410 18.262 -1.842 1.00 0.00 C ATOM 45 O GLU A 35 -5.699 17.125 -2.237 1.00 0.00 O ATOM 46 CB GLU A 35 -6.234 18.384 0.600 1.00 0.00 C ATOM 47 CG GLU A 35 -6.919 19.145 1.780 1.00 0.00 C ATOM 48 CD GLU A 35 -8.437 19.056 1.938 1.00 0.00 C ATOM 49 OE1 GLU A 35 -9.134 18.468 1.080 1.00 0.00 O ATOM 50 OE2 GLU A 35 -8.957 19.583 2.940 1.00 0.00 O ATOM 0 HA GLU A 35 -5.897 20.041 -0.805 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.679 17.391 0.538 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.183 18.247 0.855 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.470 18.787 2.707 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.659 20.199 1.686 1.00 0.00 H new ATOM 57 N TRP A 36 -4.282 18.904 -2.199 1.00 0.00 N ATOM 58 CA TRP A 36 -3.121 18.217 -2.822 1.00 0.00 C ATOM 59 C TRP A 36 -2.053 17.956 -1.726 1.00 0.00 C ATOM 60 O TRP A 36 -1.692 18.846 -0.947 1.00 0.00 O ATOM 61 CB TRP A 36 -2.512 19.028 -4.009 1.00 0.00 C ATOM 62 CG TRP A 36 -2.826 18.463 -5.401 1.00 0.00 C ATOM 63 CD1 TRP A 36 -3.619 19.085 -6.387 1.00 0.00 C ATOM 64 CD2 TRP A 36 -2.387 17.274 -5.972 1.00 0.00 C ATOM 65 NE1 TRP A 36 -3.695 18.310 -7.561 1.00 0.00 N ATOM 66 CE2 TRP A 36 -2.929 17.191 -7.279 1.00 0.00 C ATOM 67 CE3 TRP A 36 -1.586 16.218 -5.460 1.00 0.00 C ATOM 68 CZ2 TRP A 36 -2.684 16.046 -8.077 1.00 0.00 C ATOM 69 CZ3 TRP A 36 -1.364 15.099 -6.263 1.00 0.00 C ATOM 70 CH2 TRP A 36 -1.905 15.013 -7.551 1.00 0.00 C ATOM 0 H TRP A 36 -4.144 19.906 -2.068 1.00 0.00 H new ATOM 0 HA TRP A 36 -3.465 17.273 -3.245 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.879 20.053 -3.957 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.430 19.070 -3.885 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -4.108 20.039 -6.258 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -4.199 18.524 -8.422 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.158 16.280 -4.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.092 15.973 -9.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.764 14.285 -5.884 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.717 14.133 -8.148 1.00 0.00 H new ATOM 81 N LEU A 37 -1.536 16.716 -1.725 1.00 0.00 N ATOM 82 CA LEU A 37 -0.385 16.279 -0.898 1.00 0.00 C ATOM 83 C LEU A 37 -0.625 16.213 0.642 1.00 0.00 C ATOM 84 O LEU A 37 -1.574 16.787 1.185 1.00 0.00 O ATOM 85 CB LEU A 37 0.996 16.842 -1.373 1.00 0.00 C ATOM 86 CG LEU A 37 1.470 18.240 -0.860 1.00 0.00 C ATOM 87 CD1 LEU A 37 2.876 18.167 -0.226 1.00 0.00 C ATOM 88 CD2 LEU A 37 1.456 19.317 -1.965 1.00 0.00 C ATOM 0 H LEU A 37 -1.911 15.969 -2.310 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.302 15.215 -1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.759 16.115 -1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.976 16.882 -2.462 1.00 0.00 H new ATOM 0 HG LEU A 37 0.749 18.534 -0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.171 19.158 0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.859 17.479 0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.592 17.813 -0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.794 20.267 -1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.121 19.016 -2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.443 19.430 -2.351 1.00 0.00 H new ATOM 100 N ASP A 38 0.284 15.492 1.325 1.00 0.00 N ATOM 101 CA ASP A 38 0.377 15.424 2.809 1.00 0.00 C ATOM 102 C ASP A 38 -0.749 14.586 3.497 1.00 0.00 C ATOM 103 O ASP A 38 -1.927 14.963 3.510 1.00 0.00 O ATOM 104 CB ASP A 38 0.629 16.816 3.459 1.00 0.00 C ATOM 105 CG ASP A 38 1.288 16.807 4.840 1.00 0.00 C ATOM 106 OD1 ASP A 38 1.207 15.788 5.558 1.00 0.00 O ATOM 107 OD2 ASP A 38 1.902 17.830 5.206 1.00 0.00 O ATOM 0 H ASP A 38 0.992 14.926 0.858 1.00 0.00 H new ATOM 0 HA ASP A 38 1.275 14.840 3.011 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.255 17.401 2.785 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.326 17.335 3.538 1.00 0.00 H new ATOM 112 N ILE A 39 -0.333 13.442 4.066 1.00 0.00 N ATOM 113 CA ILE A 39 -1.216 12.495 4.809 1.00 0.00 C ATOM 114 C ILE A 39 -0.569 12.234 6.211 1.00 0.00 C ATOM 115 O ILE A 39 -1.211 12.520 7.225 1.00 0.00 O ATOM 116 CB ILE A 39 -1.527 11.205 3.962 1.00 0.00 C ATOM 117 CG1 ILE A 39 -2.200 11.465 2.577 1.00 0.00 C ATOM 118 CG2 ILE A 39 -2.333 10.141 4.748 1.00 0.00 C ATOM 119 CD1 ILE A 39 -3.583 12.140 2.591 1.00 0.00 C ATOM 0 H ILE A 39 0.639 13.134 4.028 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.203 12.925 4.981 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.533 10.810 3.753 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.527 12.083 1.983 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.294 10.510 2.061 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.515 9.277 4.109 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.766 9.830 5.626 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.286 10.566 5.063 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.938 12.263 1.568 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.285 11.519 3.147 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.506 13.117 3.068 1.00 0.00 H new ATOM 131 N LEU A 40 0.671 11.697 6.271 1.00 0.00 N ATOM 132 CA LEU A 40 1.402 11.429 7.546 1.00 0.00 C ATOM 133 C LEU A 40 1.716 12.645 8.485 1.00 0.00 C ATOM 134 O LEU A 40 1.672 12.492 9.708 1.00 0.00 O ATOM 135 CB LEU A 40 2.662 10.557 7.241 1.00 0.00 C ATOM 136 CG LEU A 40 3.970 11.214 6.695 1.00 0.00 C ATOM 137 CD1 LEU A 40 5.085 10.158 6.575 1.00 0.00 C ATOM 138 CD2 LEU A 40 3.823 11.955 5.349 1.00 0.00 C ATOM 0 H LEU A 40 1.200 11.434 5.439 1.00 0.00 H new ATOM 0 HA LEU A 40 0.690 10.883 8.165 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.924 10.037 8.163 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.360 9.796 6.521 1.00 0.00 H new ATOM 0 HG LEU A 40 4.225 11.979 7.429 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.992 10.628 6.193 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.285 9.727 7.556 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.769 9.371 5.891 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.786 12.375 5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.485 11.256 4.584 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.094 12.758 5.454 1.00 0.00 H new ATOM 150 N GLY A 41 2.049 13.812 7.908 1.00 0.00 N ATOM 151 CA GLY A 41 2.481 15.024 8.646 1.00 0.00 C ATOM 152 C GLY A 41 3.874 15.538 8.208 1.00 0.00 C ATOM 153 O GLY A 41 4.743 15.753 9.057 1.00 0.00 O ATOM 0 H GLY A 41 2.027 13.948 6.897 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.745 15.814 8.497 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.501 14.804 9.713 1.00 0.00 H new ATOM 157 N ASN A 42 4.069 15.732 6.888 1.00 0.00 N ATOM 158 CA ASN A 42 5.353 16.150 6.269 1.00 0.00 C ATOM 159 C ASN A 42 5.032 16.574 4.798 1.00 0.00 C ATOM 160 O ASN A 42 5.075 17.768 4.486 1.00 0.00 O ATOM 161 CB ASN A 42 6.460 15.053 6.392 1.00 0.00 C ATOM 162 CG ASN A 42 7.877 15.488 5.966 1.00 0.00 C ATOM 163 OD1 ASN A 42 8.114 15.941 4.845 1.00 0.00 O ATOM 164 ND2 ASN A 42 8.853 15.319 6.840 1.00 0.00 N ATOM 0 H ASN A 42 3.324 15.601 6.203 1.00 0.00 H new ATOM 0 HA ASN A 42 5.784 16.999 6.800 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.499 14.715 7.428 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.165 14.195 5.788 1.00 0.00 H new ATOM 0 HD21 ASN A 42 9.811 15.564 6.589 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.649 14.943 7.766 1.00 0.00 H new ATOM 171 N GLY A 43 4.724 15.600 3.919 1.00 0.00 N ATOM 172 CA GLY A 43 4.485 15.824 2.473 1.00 0.00 C ATOM 173 C GLY A 43 5.229 14.781 1.612 1.00 0.00 C ATOM 174 O GLY A 43 6.116 15.144 0.837 1.00 0.00 O ATOM 0 H GLY A 43 4.632 14.622 4.193 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.416 15.772 2.267 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.814 16.826 2.199 1.00 0.00 H new ATOM 178 N LEU A 44 4.880 13.493 1.791 1.00 0.00 N ATOM 179 CA LEU A 44 5.704 12.336 1.329 1.00 0.00 C ATOM 180 C LEU A 44 4.767 11.200 0.810 1.00 0.00 C ATOM 181 O LEU A 44 4.897 10.780 -0.343 1.00 0.00 O ATOM 182 CB LEU A 44 6.676 11.824 2.439 1.00 0.00 C ATOM 183 CG LEU A 44 7.667 12.832 3.097 1.00 0.00 C ATOM 184 CD1 LEU A 44 8.332 12.228 4.349 1.00 0.00 C ATOM 185 CD2 LEU A 44 8.745 13.349 2.129 1.00 0.00 C ATOM 0 H LEU A 44 4.018 13.214 2.260 1.00 0.00 H new ATOM 0 HA LEU A 44 6.337 12.672 0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.069 11.392 3.235 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.266 11.013 2.012 1.00 0.00 H new ATOM 0 HG LEU A 44 7.061 13.690 3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.017 12.956 4.784 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.565 11.969 5.079 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.885 11.331 4.070 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.400 14.046 2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.332 12.510 1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.268 13.859 1.292 1.00 0.00 H new ATOM 197 N LEU A 45 3.785 10.746 1.622 1.00 0.00 N ATOM 198 CA LEU A 45 2.540 10.125 1.103 1.00 0.00 C ATOM 199 C LEU A 45 1.569 11.265 0.678 1.00 0.00 C ATOM 200 O LEU A 45 1.154 12.077 1.513 1.00 0.00 O ATOM 201 CB LEU A 45 1.943 9.213 2.208 1.00 0.00 C ATOM 202 CG LEU A 45 0.646 8.441 1.838 1.00 0.00 C ATOM 203 CD1 LEU A 45 0.852 7.435 0.690 1.00 0.00 C ATOM 204 CD2 LEU A 45 0.100 7.712 3.075 1.00 0.00 C ATOM 0 H LEU A 45 3.829 10.797 2.640 1.00 0.00 H new ATOM 0 HA LEU A 45 2.728 9.501 0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.702 8.487 2.499 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.737 9.828 3.084 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.073 9.181 1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.089 6.927 0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.188 7.964 -0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.603 6.700 0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.809 7.173 2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.846 7.006 3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.125 8.439 3.856 1.00 0.00 H new ATOM 216 N ARG A 46 1.271 11.341 -0.632 1.00 0.00 N ATOM 217 CA ARG A 46 0.679 12.567 -1.243 1.00 0.00 C ATOM 218 C ARG A 46 -0.689 12.269 -1.953 1.00 0.00 C ATOM 219 O ARG A 46 -0.773 12.315 -3.186 1.00 0.00 O ATOM 220 CB ARG A 46 1.739 13.220 -2.193 1.00 0.00 C ATOM 221 CG ARG A 46 3.160 13.522 -1.634 1.00 0.00 C ATOM 222 CD ARG A 46 4.093 14.254 -2.622 1.00 0.00 C ATOM 223 NE ARG A 46 5.541 13.955 -2.371 1.00 0.00 N ATOM 224 CZ ARG A 46 6.541 14.287 -3.193 1.00 0.00 C ATOM 225 NH1 ARG A 46 6.365 14.978 -4.293 1.00 0.00 N ATOM 226 NH2 ARG A 46 7.758 13.922 -2.905 1.00 0.00 N ATOM 0 H ARG A 46 1.425 10.579 -1.292 1.00 0.00 H new ATOM 0 HA ARG A 46 0.435 13.284 -0.459 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.856 12.565 -3.057 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.322 14.158 -2.558 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.061 14.126 -0.732 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.628 12.583 -1.339 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.837 13.965 -3.641 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.928 15.329 -2.544 1.00 0.00 H new ATOM 0 HE ARG A 46 5.780 13.462 -1.510 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.430 15.289 -4.556 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.163 15.205 -4.886 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.943 13.386 -2.057 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.526 14.172 -3.528 1.00 0.00 H new ATOM 240 N LYS A 47 -1.774 11.976 -1.198 1.00 0.00 N ATOM 241 CA LYS A 47 -3.082 11.576 -1.814 1.00 0.00 C ATOM 242 C LYS A 47 -4.006 12.796 -2.136 1.00 0.00 C ATOM 243 O LYS A 47 -4.474 13.498 -1.236 1.00 0.00 O ATOM 244 CB LYS A 47 -3.838 10.504 -0.968 1.00 0.00 C ATOM 245 CG LYS A 47 -4.980 9.795 -1.755 1.00 0.00 C ATOM 246 CD LYS A 47 -5.731 8.649 -1.039 1.00 0.00 C ATOM 247 CE LYS A 47 -6.870 9.102 -0.100 1.00 0.00 C ATOM 248 NZ LYS A 47 -7.821 7.975 0.121 1.00 0.00 N ATOM 0 H LYS A 47 -1.781 12.005 -0.178 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.822 11.116 -2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.126 9.756 -0.621 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.257 10.980 -0.081 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.712 10.551 -2.041 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.557 9.396 -2.677 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.146 7.980 -1.793 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.012 8.069 -0.460 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.458 9.434 0.853 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.395 9.953 -0.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.732 8.350 0.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.963 7.460 -0.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.432 7.327 0.836 1.00 0.00 H new ATOM 262 N LYS A 48 -4.352 12.955 -3.424 1.00 0.00 N ATOM 263 CA LYS A 48 -5.511 13.775 -3.867 1.00 0.00 C ATOM 264 C LYS A 48 -6.524 12.808 -4.549 1.00 0.00 C ATOM 265 O LYS A 48 -6.238 12.259 -5.623 1.00 0.00 O ATOM 266 CB LYS A 48 -4.963 14.887 -4.801 1.00 0.00 C ATOM 267 CG LYS A 48 -5.971 15.914 -5.390 1.00 0.00 C ATOM 268 CD LYS A 48 -6.919 15.447 -6.524 1.00 0.00 C ATOM 269 CE LYS A 48 -6.222 14.840 -7.760 1.00 0.00 C ATOM 270 NZ LYS A 48 -7.227 14.310 -8.717 1.00 0.00 N ATOM 0 H LYS A 48 -3.842 12.522 -4.194 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.039 14.274 -3.055 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.206 15.443 -4.248 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.456 14.402 -5.635 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.589 16.281 -4.570 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.400 16.764 -5.763 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.609 14.708 -6.117 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.519 16.298 -6.847 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.610 15.598 -8.249 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.550 14.040 -7.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.741 13.905 -9.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.793 13.572 -8.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.852 15.081 -9.027 1.00 0.00 H new ATOM 284 N THR A 49 -7.716 12.643 -3.943 1.00 0.00 N ATOM 285 CA THR A 49 -8.779 11.749 -4.483 1.00 0.00 C ATOM 286 C THR A 49 -9.477 12.419 -5.706 1.00 0.00 C ATOM 287 O THR A 49 -10.068 13.498 -5.592 1.00 0.00 O ATOM 288 CB THR A 49 -9.784 11.335 -3.367 1.00 0.00 C ATOM 289 OG1 THR A 49 -9.087 10.711 -2.294 1.00 0.00 O ATOM 290 CG2 THR A 49 -10.870 10.337 -3.817 1.00 0.00 C ATOM 0 H THR A 49 -7.975 13.115 -3.077 1.00 0.00 H new ATOM 0 HA THR A 49 -8.321 10.826 -4.839 1.00 0.00 H new ATOM 0 HB THR A 49 -10.273 12.266 -3.078 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.724 10.455 -1.595 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.523 10.106 -2.976 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.458 10.777 -4.623 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.398 9.421 -4.171 1.00 0.00 H new ATOM 298 N LEU A 50 -9.419 11.728 -6.860 1.00 0.00 N ATOM 299 CA LEU A 50 -10.123 12.137 -8.105 1.00 0.00 C ATOM 300 C LEU A 50 -11.671 12.002 -7.966 1.00 0.00 C ATOM 301 O LEU A 50 -12.357 13.027 -7.915 1.00 0.00 O ATOM 302 CB LEU A 50 -9.501 11.359 -9.307 1.00 0.00 C ATOM 303 CG LEU A 50 -10.056 11.698 -10.720 1.00 0.00 C ATOM 304 CD1 LEU A 50 -9.678 13.118 -11.183 1.00 0.00 C ATOM 305 CD2 LEU A 50 -9.593 10.660 -11.761 1.00 0.00 C ATOM 0 H LEU A 50 -8.883 10.867 -6.963 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.974 13.199 -8.298 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.426 11.541 -9.311 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.643 10.293 -9.132 1.00 0.00 H new ATOM 0 HG LEU A 50 -11.142 11.662 -10.639 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.092 13.299 -12.175 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.082 13.849 -10.482 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.593 13.212 -11.220 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -9.996 10.922 -12.740 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.504 10.652 -11.807 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.952 9.672 -11.474 1.00 0.00 H new ATOM 317 N VAL A 51 -12.197 10.763 -7.889 1.00 0.00 N ATOM 318 CA VAL A 51 -13.639 10.496 -7.637 1.00 0.00 C ATOM 319 C VAL A 51 -13.736 9.572 -6.375 1.00 0.00 C ATOM 320 O VAL A 51 -13.165 8.476 -6.419 1.00 0.00 O ATOM 321 CB VAL A 51 -14.416 9.935 -8.878 1.00 0.00 C ATOM 322 CG1 VAL A 51 -14.605 11.007 -9.971 1.00 0.00 C ATOM 323 CG2 VAL A 51 -13.856 8.652 -9.535 1.00 0.00 C ATOM 0 H VAL A 51 -11.640 9.916 -7.999 1.00 0.00 H new ATOM 0 HA VAL A 51 -14.146 11.442 -7.445 1.00 0.00 H new ATOM 0 HB VAL A 51 -15.369 9.646 -8.435 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -15.148 10.577 -10.813 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -15.171 11.845 -9.565 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -13.630 11.358 -10.309 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -14.485 8.372 -10.380 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.840 8.836 -9.884 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -13.848 7.843 -8.805 1.00 0.00 H new ATOM 333 N PRO A 52 -14.433 9.921 -5.250 1.00 0.00 N ATOM 334 CA PRO A 52 -14.584 9.013 -4.081 1.00 0.00 C ATOM 335 C PRO A 52 -15.590 7.844 -4.321 1.00 0.00 C ATOM 336 O PRO A 52 -16.347 7.833 -5.300 1.00 0.00 O ATOM 337 CB PRO A 52 -15.028 10.000 -2.980 1.00 0.00 C ATOM 338 CG PRO A 52 -15.796 11.104 -3.705 1.00 0.00 C ATOM 339 CD PRO A 52 -15.084 11.233 -5.052 1.00 0.00 C ATOM 0 HA PRO A 52 -13.675 8.465 -3.833 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -15.657 9.505 -2.240 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -14.168 10.406 -2.447 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -16.846 10.841 -3.833 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -15.768 12.041 -3.148 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.788 11.452 -5.854 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -14.353 12.042 -5.039 1.00 0.00 H new ATOM 347 N GLY A 53 -15.601 6.866 -3.398 1.00 0.00 N ATOM 348 CA GLY A 53 -16.559 5.736 -3.455 1.00 0.00 C ATOM 349 C GLY A 53 -18.045 6.075 -3.112 1.00 0.00 C ATOM 350 O GLY A 53 -18.334 7.222 -2.750 1.00 0.00 O ATOM 0 H GLY A 53 -14.961 6.831 -2.604 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.527 5.310 -4.458 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -16.217 4.961 -2.769 1.00 0.00 H new ATOM 354 N PRO A 54 -19.017 5.122 -3.206 1.00 0.00 N ATOM 355 CA PRO A 54 -20.458 5.400 -2.936 1.00 0.00 C ATOM 356 C PRO A 54 -20.811 5.733 -1.440 1.00 0.00 C ATOM 357 O PRO A 54 -19.991 5.439 -0.563 1.00 0.00 O ATOM 358 CB PRO A 54 -21.133 4.108 -3.446 1.00 0.00 C ATOM 359 CG PRO A 54 -20.074 3.011 -3.340 1.00 0.00 C ATOM 360 CD PRO A 54 -18.767 3.735 -3.650 1.00 0.00 C ATOM 0 HA PRO A 54 -20.799 6.310 -3.430 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -22.010 3.863 -2.847 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -21.472 4.225 -4.475 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -20.058 2.565 -2.345 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -20.262 2.204 -4.048 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -17.927 3.290 -3.117 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -18.529 3.692 -4.713 1.00 0.00 H new ATOM 368 N PRO A 55 -21.997 6.327 -1.090 1.00 0.00 N ATOM 369 CA PRO A 55 -22.345 6.690 0.311 1.00 0.00 C ATOM 370 C PRO A 55 -22.571 5.437 1.209 1.00 0.00 C ATOM 371 O PRO A 55 -23.542 4.694 1.036 1.00 0.00 O ATOM 372 CB PRO A 55 -23.597 7.574 0.138 1.00 0.00 C ATOM 373 CG PRO A 55 -24.212 7.164 -1.201 1.00 0.00 C ATOM 374 CD PRO A 55 -23.016 6.765 -2.067 1.00 0.00 C ATOM 0 HA PRO A 55 -21.547 7.214 0.837 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -24.301 7.420 0.956 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -23.333 8.632 0.140 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -24.909 6.334 -1.080 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -24.770 7.986 -1.650 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -23.275 5.964 -2.760 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -22.660 7.603 -2.666 1.00 0.00 H new ATOM 382 N GLY A 56 -21.605 5.193 2.109 1.00 0.00 N ATOM 383 CA GLY A 56 -21.466 3.895 2.803 1.00 0.00 C ATOM 384 C GLY A 56 -20.494 2.968 2.047 1.00 0.00 C ATOM 385 O GLY A 56 -20.925 2.209 1.175 1.00 0.00 O ATOM 0 H GLY A 56 -20.902 5.881 2.377 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -21.104 4.058 3.818 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -22.442 3.416 2.886 1.00 0.00 H new ATOM 389 N SER A 57 -19.195 3.049 2.390 1.00 0.00 N ATOM 390 CA SER A 57 -18.139 2.188 1.795 1.00 0.00 C ATOM 391 C SER A 57 -17.275 1.644 2.960 1.00 0.00 C ATOM 392 O SER A 57 -16.525 2.395 3.598 1.00 0.00 O ATOM 393 CB SER A 57 -17.284 2.969 0.773 1.00 0.00 C ATOM 394 OG SER A 57 -18.044 3.304 -0.381 1.00 0.00 O ATOM 0 H SER A 57 -18.842 3.708 3.084 1.00 0.00 H new ATOM 0 HA SER A 57 -18.590 1.363 1.243 1.00 0.00 H new ATOM 0 HB2 SER A 57 -16.899 3.878 1.235 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.421 2.370 0.483 1.00 0.00 H new ATOM 0 HG SER A 57 -18.630 4.063 -0.178 1.00 0.00 H new ATOM 400 N SER A 58 -17.398 0.331 3.235 1.00 0.00 N ATOM 401 CA SER A 58 -16.712 -0.322 4.381 1.00 0.00 C ATOM 402 C SER A 58 -15.213 -0.592 4.088 1.00 0.00 C ATOM 403 O SER A 58 -14.856 -1.155 3.048 1.00 0.00 O ATOM 404 CB SER A 58 -17.450 -1.611 4.802 1.00 0.00 C ATOM 405 OG SER A 58 -17.492 -2.585 3.762 1.00 0.00 O ATOM 0 H SER A 58 -17.968 -0.306 2.679 1.00 0.00 H new ATOM 0 HA SER A 58 -16.745 0.374 5.220 1.00 0.00 H new ATOM 0 HB2 SER A 58 -16.957 -2.039 5.675 1.00 0.00 H new ATOM 0 HB3 SER A 58 -18.468 -1.361 5.101 1.00 0.00 H new ATOM 0 HG SER A 58 -17.967 -3.381 4.079 1.00 0.00 H new ATOM 411 N ARG A 59 -14.361 -0.167 5.031 1.00 0.00 N ATOM 412 CA ARG A 59 -12.882 -0.206 4.877 1.00 0.00 C ATOM 413 C ARG A 59 -12.319 -1.558 5.462 1.00 0.00 C ATOM 414 O ARG A 59 -12.430 -1.750 6.680 1.00 0.00 O ATOM 415 CB ARG A 59 -12.287 1.063 5.553 1.00 0.00 C ATOM 416 CG ARG A 59 -12.582 2.395 4.811 1.00 0.00 C ATOM 417 CD ARG A 59 -12.140 3.642 5.596 1.00 0.00 C ATOM 418 NE ARG A 59 -12.442 4.848 4.779 1.00 0.00 N ATOM 419 CZ ARG A 59 -11.965 6.073 4.988 1.00 0.00 C ATOM 420 NH1 ARG A 59 -11.290 6.413 6.054 1.00 0.00 N ATOM 421 NH2 ARG A 59 -12.191 6.993 4.100 1.00 0.00 N ATOM 0 H ARG A 59 -14.668 0.215 5.926 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.588 -0.188 3.828 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -12.678 1.134 6.568 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.207 0.941 5.636 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.076 2.384 3.846 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.651 2.461 4.610 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -12.662 3.692 6.552 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -11.074 3.592 5.817 1.00 0.00 H new ATOM 0 HE ARG A 59 -13.072 4.725 3.986 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.104 5.723 6.781 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.949 7.369 6.159 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -12.726 6.771 3.260 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.834 7.938 4.242 1.00 0.00 H new ATOM 435 N PRO A 60 -11.749 -2.519 4.669 1.00 0.00 N ATOM 436 CA PRO A 60 -11.573 -3.934 5.108 1.00 0.00 C ATOM 437 C PRO A 60 -10.540 -4.213 6.241 1.00 0.00 C ATOM 438 O PRO A 60 -9.585 -3.460 6.457 1.00 0.00 O ATOM 439 CB PRO A 60 -11.236 -4.673 3.794 1.00 0.00 C ATOM 440 CG PRO A 60 -10.786 -3.606 2.801 1.00 0.00 C ATOM 441 CD PRO A 60 -11.552 -2.359 3.215 1.00 0.00 C ATOM 0 HA PRO A 60 -12.480 -4.280 5.604 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -10.449 -5.410 3.954 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.106 -5.211 3.418 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.709 -3.446 2.850 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.019 -3.894 1.776 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.991 -1.453 2.987 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -12.504 -2.284 2.690 1.00 0.00 H new ATOM 449 N VAL A 61 -10.777 -5.334 6.950 1.00 0.00 N ATOM 450 CA VAL A 61 -9.983 -5.751 8.144 1.00 0.00 C ATOM 451 C VAL A 61 -8.636 -6.452 7.765 1.00 0.00 C ATOM 452 O VAL A 61 -8.427 -6.886 6.625 1.00 0.00 O ATOM 453 CB VAL A 61 -10.857 -6.619 9.127 1.00 0.00 C ATOM 454 CG1 VAL A 61 -12.036 -5.839 9.756 1.00 0.00 C ATOM 455 CG2 VAL A 61 -11.356 -7.967 8.551 1.00 0.00 C ATOM 0 H VAL A 61 -11.526 -5.985 6.717 1.00 0.00 H new ATOM 0 HA VAL A 61 -9.698 -4.841 8.672 1.00 0.00 H new ATOM 0 HB VAL A 61 -10.147 -6.866 9.917 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -12.594 -6.498 10.421 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -11.650 -4.992 10.324 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -12.695 -5.477 8.967 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -11.947 -8.488 9.304 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.972 -7.781 7.671 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -10.501 -8.582 8.272 1.00 0.00 H new ATOM 465 N LYS A 62 -7.737 -6.576 8.763 1.00 0.00 N ATOM 466 CA LYS A 62 -6.426 -7.263 8.603 1.00 0.00 C ATOM 467 C LYS A 62 -6.595 -8.819 8.551 1.00 0.00 C ATOM 468 O LYS A 62 -6.873 -9.477 9.560 1.00 0.00 O ATOM 469 CB LYS A 62 -5.488 -6.761 9.733 1.00 0.00 C ATOM 470 CG LYS A 62 -3.985 -6.986 9.447 1.00 0.00 C ATOM 471 CD LYS A 62 -3.084 -6.507 10.603 1.00 0.00 C ATOM 472 CE LYS A 62 -1.587 -6.627 10.258 1.00 0.00 C ATOM 473 NZ LYS A 62 -0.763 -6.205 11.421 1.00 0.00 N ATOM 0 H LYS A 62 -7.892 -6.207 9.701 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.968 -7.014 7.646 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.662 -5.697 9.890 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.751 -7.268 10.662 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.808 -8.047 9.268 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.710 -6.458 8.534 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.319 -5.469 10.839 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.298 -7.094 11.496 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.349 -7.656 9.987 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.354 -6.007 9.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.245 -6.289 11.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.981 -5.217 11.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.976 -6.814 12.237 1.00 0.00 H new ATOM 487 N GLY A 63 -6.454 -9.353 7.331 1.00 0.00 N ATOM 488 CA GLY A 63 -6.891 -10.720 6.966 1.00 0.00 C ATOM 489 C GLY A 63 -8.132 -10.742 6.038 1.00 0.00 C ATOM 490 O GLY A 63 -9.075 -11.493 6.304 1.00 0.00 O ATOM 0 H GLY A 63 -6.028 -8.847 6.555 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.068 -11.237 6.472 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.117 -11.276 7.876 1.00 0.00 H new ATOM 494 N GLN A 64 -8.121 -9.942 4.951 1.00 0.00 N ATOM 495 CA GLN A 64 -9.220 -9.870 3.963 1.00 0.00 C ATOM 496 C GLN A 64 -8.552 -9.388 2.645 1.00 0.00 C ATOM 497 O GLN A 64 -8.076 -8.250 2.551 1.00 0.00 O ATOM 498 CB GLN A 64 -10.356 -8.931 4.452 1.00 0.00 C ATOM 499 CG GLN A 64 -11.672 -9.147 3.680 1.00 0.00 C ATOM 500 CD GLN A 64 -12.811 -8.211 4.105 1.00 0.00 C ATOM 501 OE1 GLN A 64 -13.093 -7.999 5.284 1.00 0.00 O ATOM 502 NE2 GLN A 64 -13.512 -7.661 3.133 1.00 0.00 N ATOM 0 H GLN A 64 -7.342 -9.322 4.732 1.00 0.00 H new ATOM 0 HA GLN A 64 -9.710 -10.832 3.813 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.530 -9.099 5.515 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.039 -7.894 4.341 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -11.482 -9.010 2.615 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.995 -10.179 3.816 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -13.267 -7.845 2.160 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -14.299 -7.051 3.354 1.00 0.00 H new ATOM 511 N VAL A 65 -8.482 -10.283 1.645 1.00 0.00 N ATOM 512 CA VAL A 65 -7.583 -10.128 0.465 1.00 0.00 C ATOM 513 C VAL A 65 -8.227 -9.145 -0.567 1.00 0.00 C ATOM 514 O VAL A 65 -9.272 -9.430 -1.159 1.00 0.00 O ATOM 515 CB VAL A 65 -7.235 -11.533 -0.144 1.00 0.00 C ATOM 516 CG1 VAL A 65 -6.296 -11.446 -1.369 1.00 0.00 C ATOM 517 CG2 VAL A 65 -6.576 -12.515 0.857 1.00 0.00 C ATOM 0 H VAL A 65 -9.041 -11.136 1.622 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.635 -9.686 0.772 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.213 -11.916 -0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.093 -12.449 -1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.773 -10.856 -2.152 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.359 -10.972 -1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.368 -13.461 0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.644 -12.087 1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.252 -12.689 1.694 1.00 0.00 H new ATOM 527 N VAL A 66 -7.566 -7.994 -0.775 1.00 0.00 N ATOM 528 CA VAL A 66 -8.083 -6.892 -1.633 1.00 0.00 C ATOM 529 C VAL A 66 -7.494 -6.987 -3.074 1.00 0.00 C ATOM 530 O VAL A 66 -6.274 -7.049 -3.267 1.00 0.00 O ATOM 531 CB VAL A 66 -7.851 -5.478 -0.992 1.00 0.00 C ATOM 532 CG1 VAL A 66 -8.762 -5.222 0.227 1.00 0.00 C ATOM 533 CG2 VAL A 66 -6.389 -5.143 -0.614 1.00 0.00 C ATOM 0 H VAL A 66 -6.658 -7.792 -0.357 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.163 -7.016 -1.708 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.120 -4.804 -1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.559 -4.230 0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.806 -5.283 -0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.565 -5.972 0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.345 -4.144 -0.180 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.025 -5.870 0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.765 -5.179 -1.507 1.00 0.00 H new ATOM 543 N THR A 67 -8.389 -6.940 -4.078 1.00 0.00 N ATOM 544 CA THR A 67 -8.017 -6.777 -5.512 1.00 0.00 C ATOM 545 C THR A 67 -7.976 -5.249 -5.827 1.00 0.00 C ATOM 546 O THR A 67 -8.910 -4.511 -5.489 1.00 0.00 O ATOM 547 CB THR A 67 -9.032 -7.537 -6.415 1.00 0.00 C ATOM 548 OG1 THR A 67 -9.152 -8.899 -6.007 1.00 0.00 O ATOM 549 CG2 THR A 67 -8.649 -7.548 -7.904 1.00 0.00 C ATOM 0 H THR A 67 -9.395 -7.013 -3.926 1.00 0.00 H new ATOM 0 HA THR A 67 -7.035 -7.205 -5.714 1.00 0.00 H new ATOM 0 HB THR A 67 -9.970 -6.994 -6.297 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.796 -9.358 -6.586 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.403 -8.095 -8.470 1.00 0.00 H new ATOM 0 HG22 THR A 67 -8.592 -6.524 -8.273 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.680 -8.033 -8.027 1.00 0.00 H new ATOM 557 N VAL A 68 -6.871 -4.783 -6.443 1.00 0.00 N ATOM 558 CA VAL A 68 -6.593 -3.328 -6.625 1.00 0.00 C ATOM 559 C VAL A 68 -5.873 -3.149 -8.000 1.00 0.00 C ATOM 560 O VAL A 68 -4.846 -3.778 -8.279 1.00 0.00 O ATOM 561 CB VAL A 68 -5.756 -2.725 -5.433 1.00 0.00 C ATOM 562 CG1 VAL A 68 -5.505 -1.205 -5.581 1.00 0.00 C ATOM 563 CG2 VAL A 68 -6.376 -2.958 -4.032 1.00 0.00 C ATOM 0 H VAL A 68 -6.148 -5.390 -6.828 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.530 -2.772 -6.623 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.816 -3.274 -5.497 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.924 -0.848 -4.731 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.954 -1.015 -6.502 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.460 -0.680 -5.614 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.736 -2.511 -3.272 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.364 -2.499 -3.990 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.465 -4.028 -3.847 1.00 0.00 H new ATOM 573 N HIS A 69 -6.405 -2.221 -8.814 1.00 0.00 N ATOM 574 CA HIS A 69 -5.783 -1.770 -10.086 1.00 0.00 C ATOM 575 C HIS A 69 -5.037 -0.434 -9.822 1.00 0.00 C ATOM 576 O HIS A 69 -5.662 0.628 -9.762 1.00 0.00 O ATOM 577 CB HIS A 69 -6.936 -1.642 -11.122 1.00 0.00 C ATOM 578 CG HIS A 69 -6.639 -1.197 -12.561 1.00 0.00 C ATOM 579 ND1 HIS A 69 -7.647 -1.058 -13.497 1.00 0.00 N ATOM 580 CD2 HIS A 69 -5.403 -0.867 -13.156 1.00 0.00 C ATOM 581 CE1 HIS A 69 -6.918 -0.661 -14.583 1.00 0.00 C ATOM 582 NE2 HIS A 69 -5.557 -0.526 -14.492 1.00 0.00 N ATOM 0 H HIS A 69 -7.289 -1.754 -8.611 1.00 0.00 H new ATOM 0 HA HIS A 69 -5.042 -2.467 -10.478 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.427 -2.613 -11.180 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.663 -0.941 -10.711 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -4.456 -0.878 -12.637 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -7.417 -0.453 -15.518 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -4.867 -0.257 -15.193 1.00 0.00 H new ATOM 590 N LEU A 70 -3.701 -0.502 -9.688 1.00 0.00 N ATOM 591 CA LEU A 70 -2.843 0.695 -9.452 1.00 0.00 C ATOM 592 C LEU A 70 -1.985 0.983 -10.715 1.00 0.00 C ATOM 593 O LEU A 70 -1.316 0.088 -11.241 1.00 0.00 O ATOM 594 CB LEU A 70 -2.052 0.547 -8.121 1.00 0.00 C ATOM 595 CG LEU A 70 -0.949 -0.553 -8.025 1.00 0.00 C ATOM 596 CD1 LEU A 70 0.451 -0.011 -8.380 1.00 0.00 C ATOM 597 CD2 LEU A 70 -0.912 -1.186 -6.623 1.00 0.00 C ATOM 0 H LEU A 70 -3.179 -1.377 -9.738 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.451 1.588 -9.307 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.582 1.507 -7.907 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.774 0.362 -7.326 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.215 -1.315 -8.757 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.184 -0.814 -8.298 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.445 0.372 -9.400 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.715 0.792 -7.692 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.134 -1.948 -6.588 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.699 -0.416 -5.882 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.877 -1.643 -6.405 1.00 0.00 H new ATOM 609 N GLN A 71 -2.039 2.232 -11.210 1.00 0.00 N ATOM 610 CA GLN A 71 -1.511 2.593 -12.556 1.00 0.00 C ATOM 611 C GLN A 71 -0.219 3.448 -12.415 1.00 0.00 C ATOM 612 O GLN A 71 -0.266 4.678 -12.531 1.00 0.00 O ATOM 613 CB GLN A 71 -2.626 3.319 -13.365 1.00 0.00 C ATOM 614 CG GLN A 71 -3.826 2.435 -13.769 1.00 0.00 C ATOM 615 CD GLN A 71 -4.886 3.189 -14.586 1.00 0.00 C ATOM 616 OE1 GLN A 71 -5.669 3.971 -14.048 1.00 0.00 O ATOM 617 NE2 GLN A 71 -4.941 2.967 -15.891 1.00 0.00 N ATOM 0 H GLN A 71 -2.443 3.019 -10.702 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.232 1.695 -13.107 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.995 4.157 -12.773 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -2.183 3.738 -14.269 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -3.464 1.587 -14.350 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -4.290 2.031 -12.869 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -4.287 2.317 -16.326 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.638 3.447 -16.461 1.00 0.00 H new ATOM 626 N THR A 72 0.939 2.792 -12.177 1.00 0.00 N ATOM 627 CA THR A 72 2.217 3.499 -11.866 1.00 0.00 C ATOM 628 C THR A 72 2.866 4.054 -13.172 1.00 0.00 C ATOM 629 O THR A 72 3.061 3.329 -14.153 1.00 0.00 O ATOM 630 CB THR A 72 3.212 2.599 -11.063 1.00 0.00 C ATOM 631 OG1 THR A 72 2.560 1.955 -9.973 1.00 0.00 O ATOM 632 CG2 THR A 72 4.410 3.363 -10.474 1.00 0.00 C ATOM 0 H THR A 72 1.022 1.776 -12.193 1.00 0.00 H new ATOM 0 HA THR A 72 1.978 4.343 -11.219 1.00 0.00 H new ATOM 0 HB THR A 72 3.577 1.881 -11.798 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.205 1.398 -9.489 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.053 2.669 -9.932 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.977 3.829 -11.280 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.050 4.133 -9.791 1.00 0.00 H new ATOM 640 N SER A 73 3.181 5.361 -13.147 1.00 0.00 N ATOM 641 CA SER A 73 3.715 6.103 -14.317 1.00 0.00 C ATOM 642 C SER A 73 4.664 7.242 -13.846 1.00 0.00 C ATOM 643 O SER A 73 4.482 7.837 -12.778 1.00 0.00 O ATOM 644 CB SER A 73 2.527 6.654 -15.151 1.00 0.00 C ATOM 645 OG SER A 73 2.971 7.329 -16.323 1.00 0.00 O ATOM 0 H SER A 73 3.074 5.940 -12.314 1.00 0.00 H new ATOM 0 HA SER A 73 4.301 5.434 -14.947 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.869 5.832 -15.432 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.939 7.338 -14.539 1.00 0.00 H new ATOM 0 HG SER A 73 2.196 7.660 -16.823 1.00 0.00 H new ATOM 651 N LEU A 74 5.650 7.592 -14.700 1.00 0.00 N ATOM 652 CA LEU A 74 6.522 8.782 -14.485 1.00 0.00 C ATOM 653 C LEU A 74 5.734 10.123 -14.587 1.00 0.00 C ATOM 654 O LEU A 74 4.835 10.261 -15.425 1.00 0.00 O ATOM 655 CB LEU A 74 7.701 8.812 -15.500 1.00 0.00 C ATOM 656 CG LEU A 74 8.756 7.676 -15.419 1.00 0.00 C ATOM 657 CD1 LEU A 74 9.756 7.793 -16.579 1.00 0.00 C ATOM 658 CD2 LEU A 74 9.526 7.642 -14.081 1.00 0.00 C ATOM 0 H LEU A 74 5.867 7.070 -15.549 1.00 0.00 H new ATOM 0 HA LEU A 74 6.913 8.686 -13.472 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.278 8.805 -16.505 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.222 9.762 -15.380 1.00 0.00 H new ATOM 0 HG LEU A 74 8.198 6.743 -15.489 1.00 0.00 H new ATOM 0 HD11 LEU A 74 10.490 6.990 -16.509 1.00 0.00 H new ATOM 0 HD12 LEU A 74 9.224 7.717 -17.527 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.265 8.755 -16.525 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.246 6.823 -14.096 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.053 8.586 -13.940 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.824 7.493 -13.261 1.00 0.00 H new ATOM 670 N GLU A 75 6.127 11.122 -13.767 1.00 0.00 N ATOM 671 CA GLU A 75 5.645 12.527 -13.913 1.00 0.00 C ATOM 672 C GLU A 75 6.466 13.271 -15.025 1.00 0.00 C ATOM 673 O GLU A 75 7.412 14.021 -14.760 1.00 0.00 O ATOM 674 CB GLU A 75 5.721 13.168 -12.498 1.00 0.00 C ATOM 675 CG GLU A 75 4.745 14.339 -12.240 1.00 0.00 C ATOM 676 CD GLU A 75 4.996 15.640 -12.990 1.00 0.00 C ATOM 677 OE1 GLU A 75 4.513 15.770 -14.133 1.00 0.00 O ATOM 678 OE2 GLU A 75 5.641 16.545 -12.420 1.00 0.00 O ATOM 0 H GLU A 75 6.778 10.988 -12.993 1.00 0.00 H new ATOM 0 HA GLU A 75 4.613 12.591 -14.258 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.532 12.392 -11.757 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.738 13.524 -12.335 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.739 13.998 -12.484 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.757 14.558 -11.172 1.00 0.00 H new ATOM 685 N ASN A 76 6.118 12.946 -16.282 1.00 0.00 N ATOM 686 CA ASN A 76 6.940 13.210 -17.496 1.00 0.00 C ATOM 687 C ASN A 76 6.063 12.850 -18.737 1.00 0.00 C ATOM 688 O ASN A 76 5.777 13.736 -19.548 1.00 0.00 O ATOM 689 CB ASN A 76 8.305 12.445 -17.572 1.00 0.00 C ATOM 690 CG ASN A 76 9.455 12.984 -16.702 1.00 0.00 C ATOM 691 OD1 ASN A 76 9.920 14.109 -16.887 1.00 0.00 O ATOM 692 ND2 ASN A 76 9.936 12.207 -15.742 1.00 0.00 N ATOM 0 H ASN A 76 5.236 12.480 -16.497 1.00 0.00 H new ATOM 0 HA ASN A 76 7.224 14.262 -17.463 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.128 11.406 -17.294 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.636 12.445 -18.610 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.697 12.540 -15.150 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.545 11.276 -15.595 1.00 0.00 H new ATOM 699 N GLY A 77 5.669 11.565 -18.899 1.00 0.00 N ATOM 700 CA GLY A 77 4.962 11.086 -20.104 1.00 0.00 C ATOM 701 C GLY A 77 4.802 9.553 -20.145 1.00 0.00 C ATOM 702 O GLY A 77 3.670 9.060 -20.178 1.00 0.00 O ATOM 0 H GLY A 77 5.832 10.838 -18.202 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.976 11.549 -20.147 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.506 11.412 -20.990 1.00 0.00 H new ATOM 706 N THR A 78 5.926 8.811 -20.190 1.00 0.00 N ATOM 707 CA THR A 78 5.928 7.346 -20.459 1.00 0.00 C ATOM 708 C THR A 78 5.757 6.556 -19.128 1.00 0.00 C ATOM 709 O THR A 78 6.435 6.830 -18.131 1.00 0.00 O ATOM 710 CB THR A 78 7.240 6.955 -21.208 1.00 0.00 C ATOM 711 OG1 THR A 78 7.433 7.782 -22.354 1.00 0.00 O ATOM 712 CG2 THR A 78 7.265 5.501 -21.714 1.00 0.00 C ATOM 0 H THR A 78 6.857 9.201 -20.043 1.00 0.00 H new ATOM 0 HA THR A 78 5.086 7.085 -21.100 1.00 0.00 H new ATOM 0 HB THR A 78 8.026 7.085 -20.464 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.261 7.522 -22.809 1.00 0.00 H new ATOM 0 HG21 THR A 78 8.210 5.309 -22.223 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.163 4.820 -20.869 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.440 5.343 -22.409 1.00 0.00 H new ATOM 720 N ARG A 79 4.862 5.550 -19.151 1.00 0.00 N ATOM 721 CA ARG A 79 4.589 4.693 -17.968 1.00 0.00 C ATOM 722 C ARG A 79 5.716 3.662 -17.636 1.00 0.00 C ATOM 723 O ARG A 79 6.301 3.034 -18.527 1.00 0.00 O ATOM 724 CB ARG A 79 3.182 4.036 -18.074 1.00 0.00 C ATOM 725 CG ARG A 79 2.975 2.860 -19.071 1.00 0.00 C ATOM 726 CD ARG A 79 2.303 3.265 -20.398 1.00 0.00 C ATOM 727 NE ARG A 79 2.198 2.107 -21.329 1.00 0.00 N ATOM 728 CZ ARG A 79 1.215 1.201 -21.342 1.00 0.00 C ATOM 729 NH1 ARG A 79 0.205 1.182 -20.504 1.00 0.00 N ATOM 730 NH2 ARG A 79 1.266 0.265 -22.247 1.00 0.00 N ATOM 0 H ARG A 79 4.312 5.306 -19.975 1.00 0.00 H new ATOM 0 HA ARG A 79 4.588 5.361 -17.106 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.910 3.678 -17.081 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.471 4.820 -18.336 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.943 2.410 -19.290 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.369 2.093 -18.589 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.309 3.664 -20.197 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.877 4.062 -20.870 1.00 0.00 H new ATOM 0 HE ARG A 79 2.942 1.995 -22.018 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.132 1.894 -19.777 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.507 0.455 -20.580 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.038 0.242 -22.914 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.534 -0.444 -22.289 1.00 0.00 H new ATOM 744 N VAL A 80 5.946 3.455 -16.326 1.00 0.00 N ATOM 745 CA VAL A 80 6.872 2.403 -15.814 1.00 0.00 C ATOM 746 C VAL A 80 6.164 1.014 -15.912 1.00 0.00 C ATOM 747 O VAL A 80 6.501 0.220 -16.796 1.00 0.00 O ATOM 748 CB VAL A 80 7.459 2.776 -14.403 1.00 0.00 C ATOM 749 CG1 VAL A 80 8.452 1.717 -13.883 1.00 0.00 C ATOM 750 CG2 VAL A 80 8.172 4.145 -14.364 1.00 0.00 C ATOM 0 H VAL A 80 5.503 4.004 -15.589 1.00 0.00 H new ATOM 0 HA VAL A 80 7.763 2.336 -16.438 1.00 0.00 H new ATOM 0 HB VAL A 80 6.579 2.821 -13.761 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.829 2.020 -12.906 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.945 0.756 -13.794 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.284 1.625 -14.581 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.549 4.330 -13.358 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.004 4.142 -15.069 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.467 4.930 -14.638 1.00 0.00 H new ATOM 760 N GLN A 81 5.195 0.749 -15.018 1.00 0.00 N ATOM 761 CA GLN A 81 4.385 -0.497 -15.017 1.00 0.00 C ATOM 762 C GLN A 81 2.961 -0.098 -14.549 1.00 0.00 C ATOM 763 O GLN A 81 2.795 0.356 -13.415 1.00 0.00 O ATOM 764 CB GLN A 81 4.971 -1.565 -14.050 1.00 0.00 C ATOM 765 CG GLN A 81 6.280 -2.248 -14.499 1.00 0.00 C ATOM 766 CD GLN A 81 6.776 -3.281 -13.472 1.00 0.00 C ATOM 767 OE1 GLN A 81 7.336 -2.928 -12.434 1.00 0.00 O ATOM 768 NE2 GLN A 81 6.582 -4.565 -13.731 1.00 0.00 N ATOM 0 H GLN A 81 4.945 1.393 -14.268 1.00 0.00 H new ATOM 0 HA GLN A 81 4.381 -0.939 -16.014 1.00 0.00 H new ATOM 0 HB2 GLN A 81 5.146 -1.092 -13.083 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.217 -2.337 -13.896 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.121 -2.739 -15.459 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.049 -1.491 -14.652 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.117 -4.847 -14.594 1.00 0.00 H new ATOM 0 HE22 GLN A 81 6.898 -5.272 -13.067 1.00 0.00 H new ATOM 777 N GLU A 82 1.928 -0.294 -15.389 1.00 0.00 N ATOM 778 CA GLU A 82 0.509 -0.093 -14.961 1.00 0.00 C ATOM 779 C GLU A 82 -0.132 -1.466 -14.578 1.00 0.00 C ATOM 780 O GLU A 82 -0.660 -2.176 -15.439 1.00 0.00 O ATOM 781 CB GLU A 82 -0.283 0.672 -16.061 1.00 0.00 C ATOM 782 CG GLU A 82 0.076 2.172 -16.202 1.00 0.00 C ATOM 783 CD GLU A 82 -0.644 2.884 -17.331 1.00 0.00 C ATOM 784 OE1 GLU A 82 -0.164 2.808 -18.481 1.00 0.00 O ATOM 785 OE2 GLU A 82 -1.675 3.536 -17.080 1.00 0.00 O ATOM 0 H GLU A 82 2.035 -0.588 -16.360 1.00 0.00 H new ATOM 0 HA GLU A 82 0.473 0.530 -14.067 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.111 0.181 -17.019 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -1.348 0.587 -15.846 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.154 2.678 -15.264 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.151 2.263 -16.358 1.00 0.00 H new ATOM 792 N GLU A 83 -0.084 -1.845 -13.285 1.00 0.00 N ATOM 793 CA GLU A 83 -0.497 -3.192 -12.805 1.00 0.00 C ATOM 794 C GLU A 83 -2.060 -3.395 -12.824 1.00 0.00 C ATOM 795 O GLU A 83 -2.745 -2.720 -12.043 1.00 0.00 O ATOM 796 CB GLU A 83 0.070 -3.429 -11.371 1.00 0.00 C ATOM 797 CG GLU A 83 1.617 -3.447 -11.191 1.00 0.00 C ATOM 798 CD GLU A 83 2.357 -2.112 -11.109 1.00 0.00 C ATOM 799 OE1 GLU A 83 1.734 -1.034 -11.230 1.00 0.00 O ATOM 800 OE2 GLU A 83 3.590 -2.151 -10.922 1.00 0.00 O ATOM 0 H GLU A 83 0.241 -1.230 -12.539 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.083 -3.928 -13.494 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.333 -2.653 -10.720 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.319 -4.381 -11.011 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.838 -4.005 -10.281 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.041 -4.011 -12.022 1.00 0.00 H new ATOM 807 N PRO A 84 -2.672 -4.290 -13.659 1.00 0.00 N ATOM 808 CA PRO A 84 -4.149 -4.390 -13.796 1.00 0.00 C ATOM 809 C PRO A 84 -4.896 -5.122 -12.643 1.00 0.00 C ATOM 810 O PRO A 84 -5.842 -4.550 -12.098 1.00 0.00 O ATOM 811 CB PRO A 84 -4.314 -5.039 -15.183 1.00 0.00 C ATOM 812 CG PRO A 84 -3.065 -5.901 -15.379 1.00 0.00 C ATOM 813 CD PRO A 84 -1.961 -5.161 -14.619 1.00 0.00 C ATOM 0 HA PRO A 84 -4.630 -3.415 -13.716 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.220 -5.644 -15.229 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -4.396 -4.283 -15.964 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.212 -6.907 -14.985 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -2.817 -6.006 -16.435 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -1.301 -5.859 -14.104 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -1.340 -4.576 -15.297 1.00 0.00 H new ATOM 821 N GLU A 85 -4.503 -6.365 -12.296 1.00 0.00 N ATOM 822 CA GLU A 85 -5.254 -7.213 -11.328 1.00 0.00 C ATOM 823 C GLU A 85 -4.317 -7.700 -10.178 1.00 0.00 C ATOM 824 O GLU A 85 -3.966 -8.884 -10.096 1.00 0.00 O ATOM 825 CB GLU A 85 -5.944 -8.346 -12.160 1.00 0.00 C ATOM 826 CG GLU A 85 -7.320 -8.819 -11.627 1.00 0.00 C ATOM 827 CD GLU A 85 -8.429 -7.808 -11.863 1.00 0.00 C ATOM 828 OE1 GLU A 85 -9.027 -7.782 -12.956 1.00 0.00 O ATOM 829 OE2 GLU A 85 -8.658 -6.952 -10.987 1.00 0.00 O ATOM 0 H GLU A 85 -3.666 -6.812 -12.671 1.00 0.00 H new ATOM 0 HA GLU A 85 -6.036 -6.663 -10.804 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.071 -7.995 -13.184 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.274 -9.205 -12.198 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -7.586 -9.760 -12.109 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.240 -9.019 -10.559 1.00 0.00 H new ATOM 836 N LEU A 86 -3.907 -6.765 -9.292 1.00 0.00 N ATOM 837 CA LEU A 86 -2.940 -7.056 -8.199 1.00 0.00 C ATOM 838 C LEU A 86 -3.736 -7.461 -6.932 1.00 0.00 C ATOM 839 O LEU A 86 -4.456 -6.653 -6.338 1.00 0.00 O ATOM 840 CB LEU A 86 -1.984 -5.847 -7.987 1.00 0.00 C ATOM 841 CG LEU A 86 -0.739 -6.119 -7.087 1.00 0.00 C ATOM 842 CD1 LEU A 86 0.435 -5.191 -7.452 1.00 0.00 C ATOM 843 CD2 LEU A 86 -1.028 -5.996 -5.582 1.00 0.00 C ATOM 0 H LEU A 86 -4.230 -5.798 -9.309 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.293 -7.894 -8.457 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.637 -5.506 -8.962 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.555 -5.029 -7.548 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.468 -7.156 -7.287 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.285 -5.408 -6.805 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.719 -5.355 -8.492 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.133 -4.152 -7.318 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.117 -6.198 -5.019 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.376 -4.987 -5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.797 -6.715 -5.299 1.00 0.00 H new ATOM 855 N VAL A 87 -3.568 -8.733 -6.540 1.00 0.00 N ATOM 856 CA VAL A 87 -4.328 -9.359 -5.426 1.00 0.00 C ATOM 857 C VAL A 87 -3.319 -9.489 -4.246 1.00 0.00 C ATOM 858 O VAL A 87 -2.488 -10.405 -4.243 1.00 0.00 O ATOM 859 CB VAL A 87 -4.956 -10.716 -5.909 1.00 0.00 C ATOM 860 CG1 VAL A 87 -5.686 -11.487 -4.790 1.00 0.00 C ATOM 861 CG2 VAL A 87 -5.962 -10.553 -7.074 1.00 0.00 C ATOM 0 H VAL A 87 -2.901 -9.366 -6.982 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.180 -8.768 -5.090 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.086 -11.280 -6.246 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.095 -12.413 -5.193 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.983 -11.719 -3.990 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.496 -10.874 -4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.355 -11.530 -7.355 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.783 -9.909 -6.759 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.458 -10.105 -7.930 1.00 0.00 H new ATOM 871 N PHE A 88 -3.397 -8.566 -3.266 1.00 0.00 N ATOM 872 CA PHE A 88 -2.509 -8.575 -2.068 1.00 0.00 C ATOM 873 C PHE A 88 -3.317 -8.875 -0.776 1.00 0.00 C ATOM 874 O PHE A 88 -4.462 -8.438 -0.622 1.00 0.00 O ATOM 875 CB PHE A 88 -1.641 -7.285 -1.976 1.00 0.00 C ATOM 876 CG PHE A 88 -2.286 -5.962 -1.508 1.00 0.00 C ATOM 877 CD1 PHE A 88 -2.257 -5.630 -0.149 1.00 0.00 C ATOM 878 CD2 PHE A 88 -2.821 -5.049 -2.423 1.00 0.00 C ATOM 879 CE1 PHE A 88 -2.750 -4.404 0.290 1.00 0.00 C ATOM 880 CE2 PHE A 88 -3.288 -3.810 -1.987 1.00 0.00 C ATOM 881 CZ PHE A 88 -3.258 -3.490 -0.630 1.00 0.00 C ATOM 0 H PHE A 88 -4.068 -7.797 -3.274 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.797 -9.393 -2.180 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -0.810 -7.498 -1.303 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.214 -7.108 -2.963 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.849 -6.330 0.565 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -2.872 -5.305 -3.471 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -2.738 -4.162 1.343 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.673 -3.097 -2.701 1.00 0.00 H new ATOM 0 HZ PHE A 88 -3.629 -2.533 -0.292 1.00 0.00 H new ATOM 891 N THR A 89 -2.670 -9.574 0.179 1.00 0.00 N ATOM 892 CA THR A 89 -3.264 -9.845 1.518 1.00 0.00 C ATOM 893 C THR A 89 -3.091 -8.578 2.406 1.00 0.00 C ATOM 894 O THR A 89 -1.985 -8.047 2.551 1.00 0.00 O ATOM 895 CB THR A 89 -2.663 -11.133 2.163 1.00 0.00 C ATOM 896 OG1 THR A 89 -2.829 -12.238 1.279 1.00 0.00 O ATOM 897 CG2 THR A 89 -3.305 -11.530 3.505 1.00 0.00 C ATOM 0 H THR A 89 -1.736 -9.964 0.054 1.00 0.00 H new ATOM 0 HA THR A 89 -4.330 -10.048 1.417 1.00 0.00 H new ATOM 0 HB THR A 89 -1.615 -10.896 2.348 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.449 -13.044 1.687 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.829 -12.435 3.883 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.172 -10.722 4.225 1.00 0.00 H new ATOM 0 HG23 THR A 89 -4.369 -11.715 3.359 1.00 0.00 H new ATOM 905 N LEU A 90 -4.206 -8.118 3.002 1.00 0.00 N ATOM 906 CA LEU A 90 -4.227 -6.902 3.857 1.00 0.00 C ATOM 907 C LEU A 90 -3.574 -7.234 5.229 1.00 0.00 C ATOM 908 O LEU A 90 -4.110 -8.032 6.003 1.00 0.00 O ATOM 909 CB LEU A 90 -5.698 -6.406 3.961 1.00 0.00 C ATOM 910 CG LEU A 90 -5.912 -4.915 4.334 1.00 0.00 C ATOM 911 CD1 LEU A 90 -7.366 -4.504 4.034 1.00 0.00 C ATOM 912 CD2 LEU A 90 -5.581 -4.549 5.795 1.00 0.00 C ATOM 0 H LEU A 90 -5.116 -8.570 2.910 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.642 -6.087 3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.186 -6.590 3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.211 -7.018 4.703 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.201 -4.366 3.718 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.510 -3.456 4.298 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.572 -4.642 2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.047 -5.122 4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.763 -3.486 5.954 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.212 -5.130 6.468 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.533 -4.772 5.997 1.00 0.00 H new ATOM 924 N GLY A 91 -2.383 -6.665 5.474 1.00 0.00 N ATOM 925 CA GLY A 91 -1.514 -7.092 6.593 1.00 0.00 C ATOM 926 C GLY A 91 -0.205 -7.746 6.120 1.00 0.00 C ATOM 927 O GLY A 91 0.868 -7.171 6.324 1.00 0.00 O ATOM 0 H GLY A 91 -1.995 -5.906 4.913 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.278 -6.227 7.213 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.059 -7.796 7.221 1.00 0.00 H new ATOM 931 N ASP A 92 -0.295 -8.936 5.490 1.00 0.00 N ATOM 932 CA ASP A 92 0.873 -9.597 4.838 1.00 0.00 C ATOM 933 C ASP A 92 1.033 -9.074 3.372 1.00 0.00 C ATOM 934 O ASP A 92 0.461 -9.625 2.422 1.00 0.00 O ATOM 935 CB ASP A 92 0.648 -11.128 4.955 1.00 0.00 C ATOM 936 CG ASP A 92 1.899 -11.974 4.724 1.00 0.00 C ATOM 937 OD1 ASP A 92 2.939 -11.701 5.364 1.00 0.00 O ATOM 938 OD2 ASP A 92 1.840 -12.927 3.922 1.00 0.00 O ATOM 0 H ASP A 92 -1.163 -9.466 5.415 1.00 0.00 H new ATOM 0 HA ASP A 92 1.819 -9.357 5.324 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.254 -11.349 5.947 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -0.114 -11.426 4.235 1.00 0.00 H new ATOM 943 N CYS A 93 1.744 -7.943 3.217 1.00 0.00 N ATOM 944 CA CYS A 93 1.606 -7.086 2.016 1.00 0.00 C ATOM 945 C CYS A 93 2.676 -7.399 0.943 1.00 0.00 C ATOM 946 O CYS A 93 3.867 -7.118 1.119 1.00 0.00 O ATOM 947 CB CYS A 93 1.653 -5.601 2.433 1.00 0.00 C ATOM 948 SG CYS A 93 0.222 -5.196 3.487 1.00 0.00 S ATOM 0 H CYS A 93 2.417 -7.599 3.901 1.00 0.00 H new ATOM 0 HA CYS A 93 0.641 -7.301 1.557 1.00 0.00 H new ATOM 0 HB2 CYS A 93 2.579 -5.396 2.970 1.00 0.00 H new ATOM 0 HB3 CYS A 93 1.652 -4.967 1.546 1.00 0.00 H new ATOM 0 HG CYS A 93 0.445 -4.078 4.111 1.00 0.00 H new ATOM 954 N ASP A 94 2.204 -7.890 -0.217 1.00 0.00 N ATOM 955 CA ASP A 94 2.966 -7.841 -1.503 1.00 0.00 C ATOM 956 C ASP A 94 3.367 -6.398 -1.988 1.00 0.00 C ATOM 957 O ASP A 94 4.472 -6.206 -2.510 1.00 0.00 O ATOM 958 CB ASP A 94 2.141 -8.558 -2.610 1.00 0.00 C ATOM 959 CG ASP A 94 1.849 -10.042 -2.391 1.00 0.00 C ATOM 960 OD1 ASP A 94 2.769 -10.868 -2.567 1.00 0.00 O ATOM 961 OD2 ASP A 94 0.693 -10.382 -2.062 1.00 0.00 O ATOM 0 H ASP A 94 1.289 -8.332 -0.302 1.00 0.00 H new ATOM 0 HA ASP A 94 3.911 -8.350 -1.311 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.190 -8.036 -2.719 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.673 -8.451 -3.555 1.00 0.00 H new ATOM 966 N VAL A 95 2.471 -5.404 -1.802 1.00 0.00 N ATOM 967 CA VAL A 95 2.680 -3.987 -2.213 1.00 0.00 C ATOM 968 C VAL A 95 3.735 -3.219 -1.350 1.00 0.00 C ATOM 969 O VAL A 95 4.105 -3.617 -0.238 1.00 0.00 O ATOM 970 CB VAL A 95 1.308 -3.217 -2.264 1.00 0.00 C ATOM 971 CG1 VAL A 95 0.371 -3.732 -3.370 1.00 0.00 C ATOM 972 CG2 VAL A 95 0.550 -3.134 -0.917 1.00 0.00 C ATOM 0 H VAL A 95 1.567 -5.560 -1.356 1.00 0.00 H new ATOM 0 HA VAL A 95 3.106 -4.024 -3.216 1.00 0.00 H new ATOM 0 HB VAL A 95 1.609 -2.198 -2.507 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.558 -3.162 -3.354 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.853 -3.613 -4.340 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.153 -4.786 -3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.381 -2.585 -1.057 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.328 -4.140 -0.562 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.169 -2.618 -0.183 1.00 0.00 H new ATOM 982 N ILE A 96 4.171 -2.074 -1.902 1.00 0.00 N ATOM 983 CA ILE A 96 5.136 -1.136 -1.263 1.00 0.00 C ATOM 984 C ILE A 96 4.532 -0.344 -0.051 1.00 0.00 C ATOM 985 O ILE A 96 3.323 -0.382 0.211 1.00 0.00 O ATOM 986 CB ILE A 96 5.780 -0.214 -2.365 1.00 0.00 C ATOM 987 CG1 ILE A 96 4.872 0.864 -3.040 1.00 0.00 C ATOM 988 CG2 ILE A 96 6.616 -0.994 -3.412 1.00 0.00 C ATOM 989 CD1 ILE A 96 3.744 0.399 -3.976 1.00 0.00 C ATOM 0 H ILE A 96 3.862 -1.760 -2.822 1.00 0.00 H new ATOM 0 HA ILE A 96 5.933 -1.725 -0.808 1.00 0.00 H new ATOM 0 HB ILE A 96 6.456 0.384 -1.754 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.419 1.458 -2.246 1.00 0.00 H new ATOM 0 HG13 ILE A 96 5.519 1.532 -3.609 1.00 0.00 H new ATOM 0 HG21 ILE A 96 7.030 -0.296 -4.140 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.429 -1.519 -2.910 1.00 0.00 H new ATOM 0 HG23 ILE A 96 5.978 -1.716 -3.922 1.00 0.00 H new ATOM 0 HD11 ILE A 96 3.209 1.267 -4.361 1.00 0.00 H new ATOM 0 HD12 ILE A 96 4.170 -0.163 -4.807 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.052 -0.238 -3.424 1.00 0.00 H new ATOM 1001 N GLN A 97 5.402 0.388 0.677 1.00 0.00 N ATOM 1002 CA GLN A 97 5.007 1.230 1.850 1.00 0.00 C ATOM 1003 C GLN A 97 3.928 2.327 1.581 1.00 0.00 C ATOM 1004 O GLN A 97 3.049 2.508 2.426 1.00 0.00 O ATOM 1005 CB GLN A 97 6.240 1.902 2.515 1.00 0.00 C ATOM 1006 CG GLN A 97 7.366 0.973 3.023 1.00 0.00 C ATOM 1007 CD GLN A 97 8.551 1.760 3.608 1.00 0.00 C ATOM 1008 OE1 GLN A 97 9.385 2.297 2.879 1.00 0.00 O ATOM 1009 NE2 GLN A 97 8.652 1.849 4.927 1.00 0.00 N ATOM 0 H GLN A 97 6.402 0.419 0.476 1.00 0.00 H new ATOM 0 HA GLN A 97 4.543 0.505 2.519 1.00 0.00 H new ATOM 0 HB2 GLN A 97 6.674 2.596 1.796 1.00 0.00 H new ATOM 0 HB3 GLN A 97 5.887 2.496 3.358 1.00 0.00 H new ATOM 0 HG2 GLN A 97 6.966 0.303 3.784 1.00 0.00 H new ATOM 0 HG3 GLN A 97 7.717 0.348 2.202 1.00 0.00 H new ATOM 0 HE21 GLN A 97 7.956 1.401 5.523 1.00 0.00 H new ATOM 0 HE22 GLN A 97 9.425 2.366 5.346 1.00 0.00 H new ATOM 1018 N ALA A 98 3.977 3.033 0.432 1.00 0.00 N ATOM 1019 CA ALA A 98 2.941 4.024 0.031 1.00 0.00 C ATOM 1020 C ALA A 98 1.477 3.495 -0.081 1.00 0.00 C ATOM 1021 O ALA A 98 0.565 4.157 0.421 1.00 0.00 O ATOM 1022 CB ALA A 98 3.395 4.686 -1.283 1.00 0.00 C ATOM 0 H ALA A 98 4.732 2.937 -0.247 1.00 0.00 H new ATOM 0 HA ALA A 98 2.875 4.741 0.849 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.651 5.418 -1.598 1.00 0.00 H new ATOM 0 HB2 ALA A 98 4.351 5.185 -1.127 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.505 3.925 -2.055 1.00 0.00 H new ATOM 1028 N LEU A 99 1.257 2.306 -0.686 1.00 0.00 N ATOM 1029 CA LEU A 99 -0.065 1.615 -0.671 1.00 0.00 C ATOM 1030 C LEU A 99 -0.483 1.072 0.727 1.00 0.00 C ATOM 1031 O LEU A 99 -1.611 1.354 1.134 1.00 0.00 O ATOM 1032 CB LEU A 99 -0.110 0.495 -1.755 1.00 0.00 C ATOM 1033 CG LEU A 99 -0.724 0.832 -3.138 1.00 0.00 C ATOM 1034 CD1 LEU A 99 -2.252 1.031 -3.083 1.00 0.00 C ATOM 1035 CD2 LEU A 99 -0.039 1.996 -3.881 1.00 0.00 C ATOM 0 H LEU A 99 1.979 1.797 -1.196 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.807 2.376 -0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.911 0.151 -1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.666 -0.346 -1.341 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.523 -0.059 -3.733 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.625 1.264 -4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.725 0.117 -2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.488 1.852 -2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.535 2.159 -4.837 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.105 2.902 -3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.009 1.751 -4.053 1.00 0.00 H new ATOM 1047 N ASP A 100 0.392 0.337 1.452 1.00 0.00 N ATOM 1048 CA ASP A 100 0.148 -0.113 2.861 1.00 0.00 C ATOM 1049 C ASP A 100 -0.328 1.001 3.866 1.00 0.00 C ATOM 1050 O ASP A 100 -1.353 0.830 4.537 1.00 0.00 O ATOM 1051 CB ASP A 100 1.437 -0.858 3.305 1.00 0.00 C ATOM 1052 CG ASP A 100 1.365 -1.524 4.678 1.00 0.00 C ATOM 1053 OD1 ASP A 100 0.562 -2.464 4.854 1.00 0.00 O ATOM 1054 OD2 ASP A 100 2.105 -1.096 5.589 1.00 0.00 O ATOM 0 H ASP A 100 1.293 0.033 1.083 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.717 -0.776 2.881 1.00 0.00 H new ATOM 0 HB2 ASP A 100 1.671 -1.620 2.562 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.265 -0.149 3.306 1.00 0.00 H new ATOM 1059 N LEU A 101 0.380 2.146 3.906 1.00 0.00 N ATOM 1060 CA LEU A 101 -0.050 3.359 4.657 1.00 0.00 C ATOM 1061 C LEU A 101 -1.423 3.965 4.212 1.00 0.00 C ATOM 1062 O LEU A 101 -2.236 4.278 5.087 1.00 0.00 O ATOM 1063 CB LEU A 101 1.069 4.433 4.615 1.00 0.00 C ATOM 1064 CG LEU A 101 2.421 4.099 5.312 1.00 0.00 C ATOM 1065 CD1 LEU A 101 3.483 5.145 4.930 1.00 0.00 C ATOM 1066 CD2 LEU A 101 2.304 4.003 6.846 1.00 0.00 C ATOM 0 H LEU A 101 1.269 2.264 3.420 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.217 3.026 5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.278 4.659 3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.676 5.344 5.065 1.00 0.00 H new ATOM 0 HG LEU A 101 2.722 3.113 4.957 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.425 4.903 5.422 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.626 5.140 3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.151 6.133 5.248 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.280 3.768 7.271 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.954 4.955 7.245 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.595 3.218 7.108 1.00 0.00 H new ATOM 1078 N SER A 102 -1.699 4.095 2.892 1.00 0.00 N ATOM 1079 CA SER A 102 -3.058 4.442 2.379 1.00 0.00 C ATOM 1080 C SER A 102 -4.011 3.211 2.149 1.00 0.00 C ATOM 1081 O SER A 102 -4.666 3.104 1.110 1.00 0.00 O ATOM 1082 CB SER A 102 -2.889 5.341 1.126 1.00 0.00 C ATOM 1083 OG SER A 102 -2.323 4.632 0.026 1.00 0.00 O ATOM 0 H SER A 102 -1.002 3.966 2.158 1.00 0.00 H new ATOM 0 HA SER A 102 -3.584 4.996 3.156 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.860 5.743 0.836 1.00 0.00 H new ATOM 0 HB3 SER A 102 -2.253 6.191 1.374 1.00 0.00 H new ATOM 0 HG SER A 102 -1.366 4.491 0.185 1.00 0.00 H new ATOM 1089 N VAL A 103 -4.132 2.315 3.151 1.00 0.00 N ATOM 1090 CA VAL A 103 -5.233 1.311 3.260 1.00 0.00 C ATOM 1091 C VAL A 103 -6.353 1.873 4.210 1.00 0.00 C ATOM 1092 O VAL A 103 -7.479 1.953 3.707 1.00 0.00 O ATOM 1093 CB VAL A 103 -4.737 -0.131 3.628 1.00 0.00 C ATOM 1094 CG1 VAL A 103 -5.892 -1.133 3.842 1.00 0.00 C ATOM 1095 CG2 VAL A 103 -3.802 -0.755 2.567 1.00 0.00 C ATOM 0 H VAL A 103 -3.465 2.261 3.920 1.00 0.00 H new ATOM 0 HA VAL A 103 -5.672 1.169 2.273 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.191 0.028 4.558 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -5.483 -2.111 4.094 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.529 -0.786 4.656 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -6.481 -1.210 2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.500 -1.751 2.889 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -4.328 -0.826 1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.918 -0.128 2.447 1.00 0.00 H new ATOM 1105 N PRO A 104 -6.169 2.270 5.515 1.00 0.00 N ATOM 1106 CA PRO A 104 -7.247 2.914 6.325 1.00 0.00 C ATOM 1107 C PRO A 104 -7.815 4.297 5.860 1.00 0.00 C ATOM 1108 O PRO A 104 -8.821 4.731 6.424 1.00 0.00 O ATOM 1109 CB PRO A 104 -6.619 2.969 7.733 1.00 0.00 C ATOM 1110 CG PRO A 104 -5.110 2.996 7.500 1.00 0.00 C ATOM 1111 CD PRO A 104 -4.915 2.099 6.279 1.00 0.00 C ATOM 0 HA PRO A 104 -8.163 2.330 6.237 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -6.949 3.854 8.277 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -6.910 2.103 8.328 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -4.752 4.009 7.314 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.565 2.619 8.365 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -4.046 2.401 5.695 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.760 1.059 6.567 1.00 0.00 H new ATOM 1119 N LEU A 105 -7.226 4.954 4.841 1.00 0.00 N ATOM 1120 CA LEU A 105 -7.881 6.054 4.080 1.00 0.00 C ATOM 1121 C LEU A 105 -8.672 5.565 2.822 1.00 0.00 C ATOM 1122 O LEU A 105 -9.692 6.181 2.498 1.00 0.00 O ATOM 1123 CB LEU A 105 -6.859 7.144 3.659 1.00 0.00 C ATOM 1124 CG LEU A 105 -6.219 7.986 4.801 1.00 0.00 C ATOM 1125 CD1 LEU A 105 -4.953 7.338 5.406 1.00 0.00 C ATOM 1126 CD2 LEU A 105 -5.887 9.401 4.296 1.00 0.00 C ATOM 0 H LEU A 105 -6.282 4.742 4.517 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.607 6.482 4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.056 6.660 3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.356 7.828 2.971 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.961 8.034 5.598 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.559 7.978 6.196 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.207 6.363 5.822 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.199 7.216 4.628 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.440 9.980 5.104 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.185 9.335 3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.801 9.891 3.961 1.00 0.00 H new ATOM 1138 N MET A 106 -8.218 4.514 2.097 1.00 0.00 N ATOM 1139 CA MET A 106 -8.886 4.016 0.866 1.00 0.00 C ATOM 1140 C MET A 106 -10.284 3.394 1.148 1.00 0.00 C ATOM 1141 O MET A 106 -10.397 2.354 1.807 1.00 0.00 O ATOM 1142 CB MET A 106 -7.978 2.997 0.115 1.00 0.00 C ATOM 1143 CG MET A 106 -7.192 3.575 -1.072 1.00 0.00 C ATOM 1144 SD MET A 106 -6.175 4.976 -0.570 1.00 0.00 S ATOM 1145 CE MET A 106 -5.143 5.148 -2.036 1.00 0.00 C ATOM 0 H MET A 106 -7.381 3.988 2.347 1.00 0.00 H new ATOM 0 HA MET A 106 -9.048 4.885 0.228 1.00 0.00 H new ATOM 0 HB2 MET A 106 -7.270 2.572 0.827 1.00 0.00 H new ATOM 0 HB3 MET A 106 -8.599 2.177 -0.245 1.00 0.00 H new ATOM 0 HG2 MET A 106 -6.558 2.800 -1.503 1.00 0.00 H new ATOM 0 HG3 MET A 106 -7.886 3.889 -1.852 1.00 0.00 H new ATOM 0 HE1 MET A 106 -4.448 5.976 -1.897 1.00 0.00 H new ATOM 0 HE2 MET A 106 -4.582 4.227 -2.196 1.00 0.00 H new ATOM 0 HE3 MET A 106 -5.773 5.345 -2.903 1.00 0.00 H new ATOM 1155 N ASP A 107 -11.323 4.031 0.581 1.00 0.00 N ATOM 1156 CA ASP A 107 -12.695 3.456 0.510 1.00 0.00 C ATOM 1157 C ASP A 107 -12.879 2.535 -0.735 1.00 0.00 C ATOM 1158 O ASP A 107 -12.294 2.749 -1.804 1.00 0.00 O ATOM 1159 CB ASP A 107 -13.726 4.616 0.490 1.00 0.00 C ATOM 1160 CG ASP A 107 -13.919 5.290 1.842 1.00 0.00 C ATOM 1161 OD1 ASP A 107 -14.263 4.598 2.822 1.00 0.00 O ATOM 1162 OD2 ASP A 107 -13.654 6.502 1.970 1.00 0.00 O ATOM 0 H ASP A 107 -11.245 4.956 0.158 1.00 0.00 H new ATOM 0 HA ASP A 107 -12.855 2.831 1.389 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -13.404 5.363 -0.235 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -14.686 4.231 0.146 1.00 0.00 H new ATOM 1167 N VAL A 108 -13.752 1.517 -0.586 1.00 0.00 N ATOM 1168 CA VAL A 108 -14.030 0.521 -1.664 1.00 0.00 C ATOM 1169 C VAL A 108 -14.920 1.221 -2.738 1.00 0.00 C ATOM 1170 O VAL A 108 -16.103 1.487 -2.501 1.00 0.00 O ATOM 1171 CB VAL A 108 -14.646 -0.800 -1.084 1.00 0.00 C ATOM 1172 CG1 VAL A 108 -14.946 -1.860 -2.173 1.00 0.00 C ATOM 1173 CG2 VAL A 108 -13.745 -1.477 -0.022 1.00 0.00 C ATOM 0 H VAL A 108 -14.282 1.355 0.270 1.00 0.00 H new ATOM 0 HA VAL A 108 -13.106 0.196 -2.143 1.00 0.00 H new ATOM 0 HB VAL A 108 -15.576 -0.467 -0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -15.370 -2.750 -1.708 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -15.657 -1.452 -2.892 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -14.022 -2.125 -2.687 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -14.228 -2.385 0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -12.784 -1.730 -0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -13.589 -0.793 0.812 1.00 0.00 H new ATOM 1183 N GLY A 109 -14.294 1.559 -3.879 1.00 0.00 N ATOM 1184 CA GLY A 109 -14.876 2.503 -4.860 1.00 0.00 C ATOM 1185 C GLY A 109 -13.957 3.646 -5.358 1.00 0.00 C ATOM 1186 O GLY A 109 -14.147 4.069 -6.503 1.00 0.00 O ATOM 0 H GLY A 109 -13.381 1.193 -4.149 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -15.207 1.931 -5.727 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -15.765 2.951 -4.415 1.00 0.00 H new ATOM 1190 N GLU A 110 -13.030 4.199 -4.538 1.00 0.00 N ATOM 1191 CA GLU A 110 -12.279 5.436 -4.900 1.00 0.00 C ATOM 1192 C GLU A 110 -11.178 5.246 -5.998 1.00 0.00 C ATOM 1193 O GLU A 110 -10.322 4.358 -5.909 1.00 0.00 O ATOM 1194 CB GLU A 110 -11.738 6.165 -3.633 1.00 0.00 C ATOM 1195 CG GLU A 110 -10.512 5.554 -2.902 1.00 0.00 C ATOM 1196 CD GLU A 110 -9.884 6.453 -1.852 1.00 0.00 C ATOM 1197 OE1 GLU A 110 -10.465 6.647 -0.765 1.00 0.00 O ATOM 1198 OE2 GLU A 110 -8.761 6.953 -2.077 1.00 0.00 O ATOM 0 H GLU A 110 -12.782 3.814 -3.626 1.00 0.00 H new ATOM 0 HA GLU A 110 -13.014 6.085 -5.377 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -11.480 7.184 -3.920 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -12.554 6.233 -2.914 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -10.818 4.622 -2.426 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -9.754 5.300 -3.643 1.00 0.00 H new ATOM 1205 N THR A 111 -11.186 6.149 -6.994 1.00 0.00 N ATOM 1206 CA THR A 111 -10.028 6.382 -7.902 1.00 0.00 C ATOM 1207 C THR A 111 -9.263 7.608 -7.319 1.00 0.00 C ATOM 1208 O THR A 111 -9.860 8.671 -7.117 1.00 0.00 O ATOM 1209 CB THR A 111 -10.537 6.599 -9.355 1.00 0.00 C ATOM 1210 OG1 THR A 111 -11.305 5.475 -9.780 1.00 0.00 O ATOM 1211 CG2 THR A 111 -9.428 6.799 -10.399 1.00 0.00 C ATOM 0 H THR A 111 -11.990 6.742 -7.200 1.00 0.00 H new ATOM 0 HA THR A 111 -9.349 5.531 -7.956 1.00 0.00 H new ATOM 0 HB THR A 111 -11.124 7.516 -9.305 1.00 0.00 H new ATOM 0 HG1 THR A 111 -11.622 5.623 -10.695 1.00 0.00 H new ATOM 0 HG21 THR A 111 -9.876 6.943 -11.382 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.836 7.676 -10.138 1.00 0.00 H new ATOM 0 HG23 THR A 111 -8.784 5.920 -10.419 1.00 0.00 H new ATOM 1219 N ALA A 112 -7.963 7.440 -7.011 1.00 0.00 N ATOM 1220 CA ALA A 112 -7.189 8.448 -6.239 1.00 0.00 C ATOM 1221 C ALA A 112 -5.702 8.462 -6.661 1.00 0.00 C ATOM 1222 O ALA A 112 -5.002 7.451 -6.550 1.00 0.00 O ATOM 1223 CB ALA A 112 -7.312 8.148 -4.731 1.00 0.00 C ATOM 0 H ALA A 112 -7.422 6.619 -7.282 1.00 0.00 H new ATOM 0 HA ALA A 112 -7.602 9.434 -6.451 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -6.744 8.887 -4.166 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -8.360 8.192 -4.436 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -6.918 7.153 -4.525 1.00 0.00 H new ATOM 1229 N MET A 113 -5.214 9.637 -7.105 1.00 0.00 N ATOM 1230 CA MET A 113 -3.809 9.822 -7.546 1.00 0.00 C ATOM 1231 C MET A 113 -2.897 10.067 -6.312 1.00 0.00 C ATOM 1232 O MET A 113 -2.908 11.162 -5.739 1.00 0.00 O ATOM 1233 CB MET A 113 -3.772 10.988 -8.573 1.00 0.00 C ATOM 1234 CG MET A 113 -2.423 11.189 -9.283 1.00 0.00 C ATOM 1235 SD MET A 113 -2.568 12.577 -10.427 1.00 0.00 S ATOM 1236 CE MET A 113 -0.906 12.630 -11.123 1.00 0.00 C ATOM 0 H MET A 113 -5.777 10.485 -7.170 1.00 0.00 H new ATOM 0 HA MET A 113 -3.425 8.928 -8.037 1.00 0.00 H new ATOM 0 HB2 MET A 113 -4.539 10.812 -9.327 1.00 0.00 H new ATOM 0 HB3 MET A 113 -4.036 11.912 -8.059 1.00 0.00 H new ATOM 0 HG2 MET A 113 -1.637 11.383 -8.553 1.00 0.00 H new ATOM 0 HG3 MET A 113 -2.142 10.284 -9.822 1.00 0.00 H new ATOM 0 HE1 MET A 113 -0.841 13.440 -11.849 1.00 0.00 H new ATOM 0 HE2 MET A 113 -0.183 12.799 -10.325 1.00 0.00 H new ATOM 0 HE3 MET A 113 -0.688 11.683 -11.616 1.00 0.00 H new ATOM 1246 N VAL A 114 -2.098 9.047 -5.930 1.00 0.00 N ATOM 1247 CA VAL A 114 -1.043 9.206 -4.893 1.00 0.00 C ATOM 1248 C VAL A 114 0.265 9.495 -5.683 1.00 0.00 C ATOM 1249 O VAL A 114 0.718 8.667 -6.480 1.00 0.00 O ATOM 1250 CB VAL A 114 -0.960 7.950 -3.960 1.00 0.00 C ATOM 1251 CG1 VAL A 114 0.226 7.992 -2.967 1.00 0.00 C ATOM 1252 CG2 VAL A 114 -2.247 7.679 -3.151 1.00 0.00 C ATOM 0 H VAL A 114 -2.159 8.106 -6.320 1.00 0.00 H new ATOM 0 HA VAL A 114 -1.252 10.024 -4.203 1.00 0.00 H new ATOM 0 HB VAL A 114 -0.811 7.137 -4.670 1.00 0.00 H new ATOM 0 HG11 VAL A 114 0.220 7.091 -2.354 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.163 8.047 -3.521 1.00 0.00 H new ATOM 0 HG13 VAL A 114 0.132 8.868 -2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -2.107 6.793 -2.531 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -2.464 8.537 -2.515 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -3.079 7.515 -3.835 1.00 0.00 H new ATOM 1262 N THR A 115 0.878 10.666 -5.440 1.00 0.00 N ATOM 1263 CA THR A 115 2.211 11.002 -6.020 1.00 0.00 C ATOM 1264 C THR A 115 3.312 10.624 -4.987 1.00 0.00 C ATOM 1265 O THR A 115 3.845 11.470 -4.265 1.00 0.00 O ATOM 1266 CB THR A 115 2.264 12.467 -6.545 1.00 0.00 C ATOM 1267 OG1 THR A 115 1.957 13.406 -5.519 1.00 0.00 O ATOM 1268 CG2 THR A 115 1.319 12.726 -7.732 1.00 0.00 C ATOM 0 H THR A 115 0.483 11.399 -4.851 1.00 0.00 H new ATOM 0 HA THR A 115 2.401 10.410 -6.915 1.00 0.00 H new ATOM 0 HB THR A 115 3.291 12.602 -6.885 1.00 0.00 H new ATOM 0 HG1 THR A 115 2.001 14.315 -5.883 1.00 0.00 H new ATOM 0 HG21 THR A 115 1.407 13.766 -8.047 1.00 0.00 H new ATOM 0 HG22 THR A 115 1.588 12.072 -8.561 1.00 0.00 H new ATOM 0 HG23 THR A 115 0.291 12.524 -7.430 1.00 0.00 H new ATOM 1276 N ALA A 116 3.618 9.314 -4.916 1.00 0.00 N ATOM 1277 CA ALA A 116 4.440 8.720 -3.835 1.00 0.00 C ATOM 1278 C ALA A 116 5.941 9.105 -3.923 1.00 0.00 C ATOM 1279 O ALA A 116 6.507 9.233 -5.012 1.00 0.00 O ATOM 1280 CB ALA A 116 4.267 7.191 -3.908 1.00 0.00 C ATOM 0 H ALA A 116 3.303 8.633 -5.607 1.00 0.00 H new ATOM 0 HA ALA A 116 4.096 9.114 -2.879 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.860 6.720 -3.124 1.00 0.00 H new ATOM 0 HB2 ALA A 116 3.216 6.937 -3.770 1.00 0.00 H new ATOM 0 HB3 ALA A 116 4.602 6.833 -4.881 1.00 0.00 H new ATOM 1286 N ASP A 117 6.570 9.283 -2.751 1.00 0.00 N ATOM 1287 CA ASP A 117 7.984 9.735 -2.638 1.00 0.00 C ATOM 1288 C ASP A 117 9.032 8.686 -3.139 1.00 0.00 C ATOM 1289 O ASP A 117 8.806 7.475 -3.014 1.00 0.00 O ATOM 1290 CB ASP A 117 8.199 10.064 -1.131 1.00 0.00 C ATOM 1291 CG ASP A 117 9.144 11.222 -0.875 1.00 0.00 C ATOM 1292 OD1 ASP A 117 8.688 12.381 -0.973 1.00 0.00 O ATOM 1293 OD2 ASP A 117 10.329 10.990 -0.556 1.00 0.00 O ATOM 0 H ASP A 117 6.121 9.120 -1.850 1.00 0.00 H new ATOM 0 HA ASP A 117 8.145 10.598 -3.285 1.00 0.00 H new ATOM 0 HB2 ASP A 117 7.233 10.291 -0.679 1.00 0.00 H new ATOM 0 HB3 ASP A 117 8.585 9.177 -0.629 1.00 0.00 H new ATOM 1298 N SER A 118 10.219 9.133 -3.613 1.00 0.00 N ATOM 1299 CA SER A 118 11.377 8.208 -3.842 1.00 0.00 C ATOM 1300 C SER A 118 12.084 7.825 -2.502 1.00 0.00 C ATOM 1301 O SER A 118 13.208 8.237 -2.200 1.00 0.00 O ATOM 1302 CB SER A 118 12.338 8.830 -4.877 1.00 0.00 C ATOM 1303 OG SER A 118 13.344 7.895 -5.256 1.00 0.00 O ATOM 0 H SER A 118 10.408 10.108 -3.844 1.00 0.00 H new ATOM 0 HA SER A 118 11.009 7.268 -4.254 1.00 0.00 H new ATOM 0 HB2 SER A 118 11.778 9.146 -5.757 1.00 0.00 H new ATOM 0 HB3 SER A 118 12.803 9.722 -4.458 1.00 0.00 H new ATOM 0 HG SER A 118 14.220 8.335 -5.246 1.00 0.00 H new ATOM 1309 N LYS A 119 11.348 7.036 -1.702 1.00 0.00 N ATOM 1310 CA LYS A 119 11.612 6.782 -0.257 1.00 0.00 C ATOM 1311 C LYS A 119 10.565 5.738 0.249 1.00 0.00 C ATOM 1312 O LYS A 119 10.949 4.624 0.619 1.00 0.00 O ATOM 1313 CB LYS A 119 11.667 8.103 0.574 1.00 0.00 C ATOM 1314 CG LYS A 119 11.917 7.947 2.091 1.00 0.00 C ATOM 1315 CD LYS A 119 12.382 9.231 2.819 1.00 0.00 C ATOM 1316 CE LYS A 119 11.462 10.470 2.732 1.00 0.00 C ATOM 1317 NZ LYS A 119 11.799 11.316 1.552 1.00 0.00 N ATOM 0 H LYS A 119 10.526 6.538 -2.043 1.00 0.00 H new ATOM 0 HA LYS A 119 12.606 6.356 -0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 119 12.453 8.735 0.161 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.725 8.634 0.435 1.00 0.00 H new ATOM 0 HG2 LYS A 119 10.998 7.596 2.560 1.00 0.00 H new ATOM 0 HG3 LYS A 119 12.668 7.171 2.241 1.00 0.00 H new ATOM 0 HD2 LYS A 119 12.522 8.989 3.872 1.00 0.00 H new ATOM 0 HD3 LYS A 119 13.359 9.508 2.423 1.00 0.00 H new ATOM 0 HE2 LYS A 119 10.422 10.149 2.667 1.00 0.00 H new ATOM 0 HE3 LYS A 119 11.557 11.060 3.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 11.657 12.318 1.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 12.792 11.161 1.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 11.183 11.060 0.754 1.00 0.00 H new ATOM 1331 N TYR A 120 9.262 6.095 0.242 1.00 0.00 N ATOM 1332 CA TYR A 120 8.148 5.129 0.474 1.00 0.00 C ATOM 1333 C TYR A 120 7.771 4.253 -0.764 1.00 0.00 C ATOM 1334 O TYR A 120 7.353 3.108 -0.564 1.00 0.00 O ATOM 1335 CB TYR A 120 6.891 5.865 1.022 1.00 0.00 C ATOM 1336 CG TYR A 120 7.043 6.472 2.431 1.00 0.00 C ATOM 1337 CD1 TYR A 120 7.094 5.642 3.558 1.00 0.00 C ATOM 1338 CD2 TYR A 120 7.171 7.855 2.593 1.00 0.00 C ATOM 1339 CE1 TYR A 120 7.288 6.185 4.824 1.00 0.00 C ATOM 1340 CE2 TYR A 120 7.363 8.396 3.863 1.00 0.00 C ATOM 1341 CZ TYR A 120 7.427 7.563 4.976 1.00 0.00 C ATOM 1342 OH TYR A 120 7.643 8.096 6.219 1.00 0.00 O ATOM 0 H TYR A 120 8.947 7.051 0.077 1.00 0.00 H new ATOM 0 HA TYR A 120 8.527 4.429 1.219 1.00 0.00 H new ATOM 0 HB2 TYR A 120 6.626 6.663 0.328 1.00 0.00 H new ATOM 0 HB3 TYR A 120 6.057 5.164 1.035 1.00 0.00 H new ATOM 0 HD1 TYR A 120 6.982 4.574 3.443 1.00 0.00 H new ATOM 0 HD2 TYR A 120 7.121 8.505 1.732 1.00 0.00 H new ATOM 0 HE1 TYR A 120 7.331 5.539 5.688 1.00 0.00 H new ATOM 0 HE2 TYR A 120 7.462 9.465 3.984 1.00 0.00 H new ATOM 0 HH TYR A 120 7.718 9.071 6.149 1.00 0.00 H new ATOM 1352 N CYS A 121 7.911 4.749 -2.017 1.00 0.00 N ATOM 1353 CA CYS A 121 7.642 3.956 -3.245 1.00 0.00 C ATOM 1354 C CYS A 121 8.695 2.827 -3.455 1.00 0.00 C ATOM 1355 O CYS A 121 8.372 1.676 -3.159 1.00 0.00 O ATOM 1356 CB CYS A 121 7.459 4.900 -4.456 1.00 0.00 C ATOM 1357 SG CYS A 121 6.793 3.968 -5.872 1.00 0.00 S ATOM 0 H CYS A 121 8.212 5.705 -2.206 1.00 0.00 H new ATOM 0 HA CYS A 121 6.700 3.421 -3.128 1.00 0.00 H new ATOM 0 HB2 CYS A 121 6.783 5.714 -4.195 1.00 0.00 H new ATOM 0 HB3 CYS A 121 8.414 5.352 -4.724 1.00 0.00 H new ATOM 0 HG CYS A 121 7.625 3.025 -6.201 1.00 0.00 H new ATOM 1363 N TYR A 122 9.932 3.125 -3.911 1.00 0.00 N ATOM 1364 CA TYR A 122 11.022 2.101 -4.010 1.00 0.00 C ATOM 1365 C TYR A 122 12.381 2.610 -3.416 1.00 0.00 C ATOM 1366 O TYR A 122 13.446 2.373 -3.998 1.00 0.00 O ATOM 1367 CB TYR A 122 11.153 1.603 -5.486 1.00 0.00 C ATOM 1368 CG TYR A 122 9.957 0.817 -6.064 1.00 0.00 C ATOM 1369 CD1 TYR A 122 9.786 -0.538 -5.760 1.00 0.00 C ATOM 1370 CD2 TYR A 122 9.039 1.446 -6.910 1.00 0.00 C ATOM 1371 CE1 TYR A 122 8.736 -1.259 -6.320 1.00 0.00 C ATOM 1372 CE2 TYR A 122 7.977 0.729 -7.459 1.00 0.00 C ATOM 1373 CZ TYR A 122 7.829 -0.625 -7.167 1.00 0.00 C ATOM 1374 OH TYR A 122 6.788 -1.335 -7.707 1.00 0.00 O ATOM 0 H TYR A 122 10.210 4.058 -4.217 1.00 0.00 H new ATOM 0 HA TYR A 122 10.745 1.247 -3.391 1.00 0.00 H new ATOM 0 HB2 TYR A 122 11.329 2.470 -6.123 1.00 0.00 H new ATOM 0 HB3 TYR A 122 12.039 0.972 -5.554 1.00 0.00 H new ATOM 0 HD1 TYR A 122 10.474 -1.028 -5.086 1.00 0.00 H new ATOM 0 HD2 TYR A 122 9.153 2.495 -7.140 1.00 0.00 H new ATOM 0 HE1 TYR A 122 8.624 -2.310 -6.098 1.00 0.00 H new ATOM 0 HE2 TYR A 122 7.270 1.222 -8.110 1.00 0.00 H new ATOM 0 HH TYR A 122 6.248 -0.745 -8.273 1.00 0.00 H new ATOM 1384 N GLY A 123 12.366 3.277 -2.236 1.00 0.00 N ATOM 1385 CA GLY A 123 13.589 3.832 -1.599 1.00 0.00 C ATOM 1386 C GLY A 123 14.299 4.997 -2.355 1.00 0.00 C ATOM 1387 O GLY A 123 13.922 5.292 -3.495 1.00 0.00 O ATOM 0 H GLY A 123 11.514 3.445 -1.701 1.00 0.00 H new ATOM 0 HA2 GLY A 123 13.325 4.183 -0.602 1.00 0.00 H new ATOM 0 HA3 GLY A 123 14.306 3.021 -1.472 1.00 0.00 H new ATOM 1391 N PRO A 124 15.384 5.625 -1.817 1.00 0.00 N ATOM 1392 CA PRO A 124 16.335 6.430 -2.637 1.00 0.00 C ATOM 1393 C PRO A 124 17.357 5.518 -3.403 1.00 0.00 C ATOM 1394 O PRO A 124 18.555 5.481 -3.105 1.00 0.00 O ATOM 1395 CB PRO A 124 16.947 7.336 -1.550 1.00 0.00 C ATOM 1396 CG PRO A 124 16.972 6.480 -0.279 1.00 0.00 C ATOM 1397 CD PRO A 124 15.720 5.601 -0.379 1.00 0.00 C ATOM 0 HA PRO A 124 15.896 7.000 -3.456 1.00 0.00 H new ATOM 0 HB2 PRO A 124 17.951 7.659 -1.826 1.00 0.00 H new ATOM 0 HB3 PRO A 124 16.350 8.237 -1.406 1.00 0.00 H new ATOM 0 HG2 PRO A 124 17.877 5.875 -0.226 1.00 0.00 H new ATOM 0 HG3 PRO A 124 16.950 7.100 0.617 1.00 0.00 H new ATOM 0 HD2 PRO A 124 15.915 4.587 -0.031 1.00 0.00 H new ATOM 0 HD3 PRO A 124 14.905 5.995 0.228 1.00 0.00 H new ATOM 1405 N GLN A 125 16.827 4.751 -4.373 1.00 0.00 N ATOM 1406 CA GLN A 125 17.552 3.659 -5.073 1.00 0.00 C ATOM 1407 C GLN A 125 16.836 3.397 -6.432 1.00 0.00 C ATOM 1408 O GLN A 125 17.447 3.627 -7.481 1.00 0.00 O ATOM 1409 CB GLN A 125 17.691 2.392 -4.172 1.00 0.00 C ATOM 1410 CG GLN A 125 18.525 1.247 -4.790 1.00 0.00 C ATOM 1411 CD GLN A 125 18.609 0.006 -3.889 1.00 0.00 C ATOM 1412 OE1 GLN A 125 19.416 -0.058 -2.962 1.00 0.00 O ATOM 1413 NE2 GLN A 125 17.789 -1.004 -4.140 1.00 0.00 N ATOM 0 H GLN A 125 15.869 4.869 -4.702 1.00 0.00 H new ATOM 0 HA GLN A 125 18.580 3.952 -5.284 1.00 0.00 H new ATOM 0 HB2 GLN A 125 18.146 2.684 -3.226 1.00 0.00 H new ATOM 0 HB3 GLN A 125 16.694 2.015 -3.943 1.00 0.00 H new ATOM 0 HG2 GLN A 125 18.088 0.964 -5.748 1.00 0.00 H new ATOM 0 HG3 GLN A 125 19.533 1.609 -4.994 1.00 0.00 H new ATOM 0 HE21 GLN A 125 17.124 -0.941 -4.911 1.00 0.00 H new ATOM 0 HE22 GLN A 125 17.823 -1.844 -3.563 1.00 0.00 H new ATOM 1422 N GLY A 126 15.578 2.901 -6.420 1.00 0.00 N ATOM 1423 CA GLY A 126 14.833 2.565 -7.650 1.00 0.00 C ATOM 1424 C GLY A 126 15.007 1.084 -8.037 1.00 0.00 C ATOM 1425 O GLY A 126 16.132 0.623 -8.251 1.00 0.00 O ATOM 0 H GLY A 126 15.055 2.724 -5.562 1.00 0.00 H new ATOM 0 HA2 GLY A 126 13.775 2.781 -7.504 1.00 0.00 H new ATOM 0 HA3 GLY A 126 15.178 3.197 -8.468 1.00 0.00 H new ATOM 1429 N ARG A 127 13.883 0.350 -8.096 1.00 0.00 N ATOM 1430 CA ARG A 127 13.891 -1.142 -8.143 1.00 0.00 C ATOM 1431 C ARG A 127 13.123 -1.704 -9.385 1.00 0.00 C ATOM 1432 O ARG A 127 12.101 -2.383 -9.232 1.00 0.00 O ATOM 1433 CB ARG A 127 13.320 -1.590 -6.764 1.00 0.00 C ATOM 1434 CG ARG A 127 13.392 -3.101 -6.428 1.00 0.00 C ATOM 1435 CD ARG A 127 12.520 -3.438 -5.204 1.00 0.00 C ATOM 1436 NE ARG A 127 12.560 -4.898 -4.918 1.00 0.00 N ATOM 1437 CZ ARG A 127 11.701 -5.552 -4.132 1.00 0.00 C ATOM 1438 NH1 ARG A 127 10.726 -4.970 -3.475 1.00 0.00 N ATOM 1439 NH2 ARG A 127 11.836 -6.841 -4.009 1.00 0.00 N ATOM 0 H ARG A 127 12.948 0.758 -8.113 1.00 0.00 H new ATOM 0 HA ARG A 127 14.891 -1.551 -8.285 1.00 0.00 H new ATOM 0 HB2 ARG A 127 13.851 -1.044 -5.984 1.00 0.00 H new ATOM 0 HB3 ARG A 127 12.276 -1.282 -6.714 1.00 0.00 H new ATOM 0 HG2 ARG A 127 13.060 -3.684 -7.287 1.00 0.00 H new ATOM 0 HG3 ARG A 127 14.426 -3.384 -6.231 1.00 0.00 H new ATOM 0 HD2 ARG A 127 12.873 -2.882 -4.335 1.00 0.00 H new ATOM 0 HD3 ARG A 127 11.492 -3.126 -5.386 1.00 0.00 H new ATOM 0 HE ARG A 127 13.302 -5.442 -5.357 1.00 0.00 H new ATOM 0 HH11 ARG A 127 10.592 -3.962 -3.549 1.00 0.00 H new ATOM 0 HH12 ARG A 127 10.102 -5.526 -2.890 1.00 0.00 H new ATOM 0 HH21 ARG A 127 12.583 -7.325 -4.506 1.00 0.00 H new ATOM 0 HH22 ARG A 127 11.194 -7.367 -3.415 1.00 0.00 H new ATOM 1453 N SER A 128 13.661 -1.473 -10.607 1.00 0.00 N ATOM 1454 CA SER A 128 13.238 -2.162 -11.866 1.00 0.00 C ATOM 1455 C SER A 128 11.790 -1.835 -12.385 1.00 0.00 C ATOM 1456 O SER A 128 10.882 -1.712 -11.555 1.00 0.00 O ATOM 1457 CB SER A 128 13.470 -3.697 -11.818 1.00 0.00 C ATOM 1458 OG SER A 128 14.830 -4.008 -11.532 1.00 0.00 O ATOM 0 H SER A 128 14.410 -0.797 -10.755 1.00 0.00 H new ATOM 0 HA SER A 128 13.906 -1.725 -12.608 1.00 0.00 H new ATOM 0 HB2 SER A 128 12.826 -4.140 -11.058 1.00 0.00 H new ATOM 0 HB3 SER A 128 13.187 -4.139 -12.773 1.00 0.00 H new ATOM 0 HG SER A 128 14.945 -4.981 -11.507 1.00 0.00 H new ATOM 1464 N PRO A 129 11.485 -1.731 -13.715 1.00 0.00 N ATOM 1465 CA PRO A 129 12.456 -1.876 -14.839 1.00 0.00 C ATOM 1466 C PRO A 129 13.420 -0.678 -15.105 1.00 0.00 C ATOM 1467 O PRO A 129 14.601 -0.925 -15.369 1.00 0.00 O ATOM 1468 CB PRO A 129 11.537 -2.186 -16.041 1.00 0.00 C ATOM 1469 CG PRO A 129 10.187 -1.552 -15.703 1.00 0.00 C ATOM 1470 CD PRO A 129 10.088 -1.708 -14.189 1.00 0.00 C ATOM 0 HA PRO A 129 13.188 -2.651 -14.611 1.00 0.00 H new ATOM 0 HB2 PRO A 129 11.945 -1.771 -16.963 1.00 0.00 H new ATOM 0 HB3 PRO A 129 11.438 -3.261 -16.191 1.00 0.00 H new ATOM 0 HG2 PRO A 129 10.150 -0.504 -16.002 1.00 0.00 H new ATOM 0 HG3 PRO A 129 9.367 -2.058 -16.213 1.00 0.00 H new ATOM 0 HD2 PRO A 129 9.533 -0.883 -13.743 1.00 0.00 H new ATOM 0 HD3 PRO A 129 9.565 -2.626 -13.920 1.00 0.00 H new ATOM 1478 N TYR A 130 12.939 0.582 -15.062 1.00 0.00 N ATOM 1479 CA TYR A 130 13.767 1.786 -15.328 1.00 0.00 C ATOM 1480 C TYR A 130 13.419 2.907 -14.302 1.00 0.00 C ATOM 1481 O TYR A 130 12.852 3.946 -14.653 1.00 0.00 O ATOM 1482 CB TYR A 130 13.691 2.180 -16.838 1.00 0.00 C ATOM 1483 CG TYR A 130 12.372 2.749 -17.416 1.00 0.00 C ATOM 1484 CD1 TYR A 130 11.261 1.923 -17.643 1.00 0.00 C ATOM 1485 CD2 TYR A 130 12.282 4.109 -17.725 1.00 0.00 C ATOM 1486 CE1 TYR A 130 10.074 2.461 -18.137 1.00 0.00 C ATOM 1487 CE2 TYR A 130 11.098 4.644 -18.224 1.00 0.00 C ATOM 1488 CZ TYR A 130 9.992 3.820 -18.422 1.00 0.00 C ATOM 1489 OH TYR A 130 8.828 4.361 -18.897 1.00 0.00 O ATOM 0 H TYR A 130 11.967 0.798 -14.842 1.00 0.00 H new ATOM 0 HA TYR A 130 14.825 1.581 -15.163 1.00 0.00 H new ATOM 0 HB2 TYR A 130 14.472 2.917 -17.022 1.00 0.00 H new ATOM 0 HB3 TYR A 130 13.946 1.294 -17.419 1.00 0.00 H new ATOM 0 HD1 TYR A 130 11.326 0.865 -17.434 1.00 0.00 H new ATOM 0 HD2 TYR A 130 13.138 4.750 -17.575 1.00 0.00 H new ATOM 0 HE1 TYR A 130 9.218 1.823 -18.299 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.037 5.697 -18.457 1.00 0.00 H new ATOM 0 HH TYR A 130 8.079 3.769 -18.677 1.00 0.00 H new ATOM 1499 N ILE A 131 13.773 2.680 -13.020 1.00 0.00 N ATOM 1500 CA ILE A 131 13.446 3.619 -11.909 1.00 0.00 C ATOM 1501 C ILE A 131 14.818 4.187 -11.400 1.00 0.00 C ATOM 1502 O ILE A 131 15.613 3.395 -10.881 1.00 0.00 O ATOM 1503 CB ILE A 131 12.579 2.954 -10.777 1.00 0.00 C ATOM 1504 CG1 ILE A 131 11.276 2.274 -11.306 1.00 0.00 C ATOM 1505 CG2 ILE A 131 12.212 3.997 -9.686 1.00 0.00 C ATOM 1506 CD1 ILE A 131 10.518 1.396 -10.300 1.00 0.00 C ATOM 0 H ILE A 131 14.288 1.852 -12.720 1.00 0.00 H new ATOM 0 HA ILE A 131 12.809 4.431 -12.260 1.00 0.00 H new ATOM 0 HB ILE A 131 13.200 2.166 -10.351 1.00 0.00 H new ATOM 0 HG12 ILE A 131 10.601 3.054 -11.659 1.00 0.00 H new ATOM 0 HG13 ILE A 131 11.535 1.662 -12.170 1.00 0.00 H new ATOM 0 HG21 ILE A 131 11.612 3.518 -8.912 1.00 0.00 H new ATOM 0 HG22 ILE A 131 13.124 4.397 -9.243 1.00 0.00 H new ATOM 0 HG23 ILE A 131 11.641 4.809 -10.136 1.00 0.00 H new ATOM 0 HD11 ILE A 131 9.632 0.977 -10.778 1.00 0.00 H new ATOM 0 HD12 ILE A 131 11.166 0.587 -9.963 1.00 0.00 H new ATOM 0 HD13 ILE A 131 10.217 2.000 -9.444 1.00 0.00 H new ATOM 1518 N PRO A 132 15.134 5.515 -11.479 1.00 0.00 N ATOM 1519 CA PRO A 132 16.356 6.097 -10.856 1.00 0.00 C ATOM 1520 C PRO A 132 16.223 6.366 -9.309 1.00 0.00 C ATOM 1521 O PRO A 132 15.108 6.263 -8.778 1.00 0.00 O ATOM 1522 CB PRO A 132 16.512 7.390 -11.686 1.00 0.00 C ATOM 1523 CG PRO A 132 15.090 7.824 -12.031 1.00 0.00 C ATOM 1524 CD PRO A 132 14.340 6.508 -12.234 1.00 0.00 C ATOM 0 HA PRO A 132 17.220 5.433 -10.884 1.00 0.00 H new ATOM 0 HB2 PRO A 132 17.031 8.162 -11.118 1.00 0.00 H new ATOM 0 HB3 PRO A 132 17.098 7.210 -12.588 1.00 0.00 H new ATOM 0 HG2 PRO A 132 14.648 8.416 -11.229 1.00 0.00 H new ATOM 0 HG3 PRO A 132 15.068 8.439 -12.931 1.00 0.00 H new ATOM 0 HD2 PRO A 132 13.319 6.570 -11.858 1.00 0.00 H new ATOM 0 HD3 PRO A 132 14.275 6.246 -13.290 1.00 0.00 H new ATOM 1532 N PRO A 133 17.292 6.756 -8.550 1.00 0.00 N ATOM 1533 CA PRO A 133 17.167 7.147 -7.112 1.00 0.00 C ATOM 1534 C PRO A 133 16.407 8.461 -6.725 1.00 0.00 C ATOM 1535 O PRO A 133 16.333 8.773 -5.533 1.00 0.00 O ATOM 1536 CB PRO A 133 18.642 7.158 -6.656 1.00 0.00 C ATOM 1537 CG PRO A 133 19.463 7.441 -7.913 1.00 0.00 C ATOM 1538 CD PRO A 133 18.686 6.754 -9.034 1.00 0.00 C ATOM 0 HA PRO A 133 16.502 6.445 -6.609 1.00 0.00 H new ATOM 0 HB2 PRO A 133 18.811 7.923 -5.898 1.00 0.00 H new ATOM 0 HB3 PRO A 133 18.922 6.202 -6.213 1.00 0.00 H new ATOM 0 HG2 PRO A 133 19.558 8.512 -8.093 1.00 0.00 H new ATOM 0 HG3 PRO A 133 20.473 7.041 -7.827 1.00 0.00 H new ATOM 0 HD2 PRO A 133 18.783 7.293 -9.976 1.00 0.00 H new ATOM 0 HD3 PRO A 133 19.047 5.740 -9.208 1.00 0.00 H new ATOM 1546 N HIS A 134 15.831 9.203 -7.692 1.00 0.00 N ATOM 1547 CA HIS A 134 15.028 10.426 -7.436 1.00 0.00 C ATOM 1548 C HIS A 134 13.940 10.523 -8.547 1.00 0.00 C ATOM 1549 O HIS A 134 14.160 11.103 -9.615 1.00 0.00 O ATOM 1550 CB HIS A 134 15.902 11.706 -7.250 1.00 0.00 C ATOM 1551 CG HIS A 134 16.887 12.086 -8.367 1.00 0.00 C ATOM 1552 ND1 HIS A 134 16.654 13.041 -9.341 1.00 0.00 N ATOM 1553 CD2 HIS A 134 18.163 11.520 -8.553 1.00 0.00 C ATOM 1554 CE1 HIS A 134 17.824 12.948 -10.046 1.00 0.00 C ATOM 1555 NE2 HIS A 134 18.801 12.063 -9.659 1.00 0.00 N ATOM 0 H HIS A 134 15.908 8.972 -8.683 1.00 0.00 H new ATOM 0 HA HIS A 134 14.523 10.352 -6.473 1.00 0.00 H new ATOM 0 HB2 HIS A 134 15.228 12.550 -7.100 1.00 0.00 H new ATOM 0 HB3 HIS A 134 16.473 11.587 -6.329 1.00 0.00 H new ATOM 0 HD2 HIS A 134 18.591 10.760 -7.916 1.00 0.00 H new ATOM 0 HE1 HIS A 134 17.980 13.574 -10.912 1.00 0.00 H new ATOM 0 HE2 HIS A 134 19.717 11.865 -10.062 1.00 0.00 H new ATOM 1563 N ALA A 135 12.768 9.920 -8.274 1.00 0.00 N ATOM 1564 CA ALA A 135 11.594 9.947 -9.180 1.00 0.00 C ATOM 1565 C ALA A 135 10.318 9.757 -8.321 1.00 0.00 C ATOM 1566 O ALA A 135 10.098 8.683 -7.746 1.00 0.00 O ATOM 1567 CB ALA A 135 11.685 8.850 -10.263 1.00 0.00 C ATOM 0 H ALA A 135 12.603 9.396 -7.415 1.00 0.00 H new ATOM 0 HA ALA A 135 11.563 10.904 -9.701 1.00 0.00 H new ATOM 0 HB1 ALA A 135 10.807 8.901 -10.907 1.00 0.00 H new ATOM 0 HB2 ALA A 135 12.584 9.003 -10.861 1.00 0.00 H new ATOM 0 HB3 ALA A 135 11.728 7.871 -9.786 1.00 0.00 H new ATOM 1573 N ALA A 136 9.466 10.799 -8.264 1.00 0.00 N ATOM 1574 CA ALA A 136 8.159 10.729 -7.562 1.00 0.00 C ATOM 1575 C ALA A 136 7.107 10.038 -8.473 1.00 0.00 C ATOM 1576 O ALA A 136 6.680 10.590 -9.494 1.00 0.00 O ATOM 1577 CB ALA A 136 7.720 12.141 -7.136 1.00 0.00 C ATOM 0 H ALA A 136 9.656 11.704 -8.695 1.00 0.00 H new ATOM 0 HA ALA A 136 8.254 10.128 -6.658 1.00 0.00 H new ATOM 0 HB1 ALA A 136 6.761 12.084 -6.622 1.00 0.00 H new ATOM 0 HB2 ALA A 136 8.466 12.567 -6.466 1.00 0.00 H new ATOM 0 HB3 ALA A 136 7.621 12.773 -8.018 1.00 0.00 H new ATOM 1583 N LEU A 137 6.753 8.792 -8.110 1.00 0.00 N ATOM 1584 CA LEU A 137 5.983 7.877 -8.990 1.00 0.00 C ATOM 1585 C LEU A 137 4.466 8.030 -8.743 1.00 0.00 C ATOM 1586 O LEU A 137 3.970 7.904 -7.620 1.00 0.00 O ATOM 1587 CB LEU A 137 6.447 6.413 -8.763 1.00 0.00 C ATOM 1588 CG LEU A 137 7.804 6.061 -9.431 1.00 0.00 C ATOM 1589 CD1 LEU A 137 8.449 4.836 -8.760 1.00 0.00 C ATOM 1590 CD2 LEU A 137 7.688 5.830 -10.951 1.00 0.00 C ATOM 0 H LEU A 137 6.988 8.387 -7.204 1.00 0.00 H new ATOM 0 HA LEU A 137 6.174 8.141 -10.030 1.00 0.00 H new ATOM 0 HB2 LEU A 137 6.525 6.231 -7.691 1.00 0.00 H new ATOM 0 HB3 LEU A 137 5.681 5.738 -9.146 1.00 0.00 H new ATOM 0 HG LEU A 137 8.445 6.931 -9.286 1.00 0.00 H new ATOM 0 HD11 LEU A 137 9.398 4.612 -9.247 1.00 0.00 H new ATOM 0 HD12 LEU A 137 8.624 5.049 -7.705 1.00 0.00 H new ATOM 0 HD13 LEU A 137 7.783 3.978 -8.851 1.00 0.00 H new ATOM 0 HD21 LEU A 137 8.670 5.588 -11.358 1.00 0.00 H new ATOM 0 HD22 LEU A 137 7.002 5.005 -11.142 1.00 0.00 H new ATOM 0 HD23 LEU A 137 7.310 6.734 -11.429 1.00 0.00 H new ATOM 1602 N CYS A 138 3.756 8.307 -9.844 1.00 0.00 N ATOM 1603 CA CYS A 138 2.323 8.674 -9.815 1.00 0.00 C ATOM 1604 C CYS A 138 1.452 7.428 -10.121 1.00 0.00 C ATOM 1605 O CYS A 138 1.217 7.091 -11.287 1.00 0.00 O ATOM 1606 CB CYS A 138 2.092 9.835 -10.809 1.00 0.00 C ATOM 1607 SG CYS A 138 3.288 11.203 -10.578 1.00 0.00 S ATOM 0 H CYS A 138 4.153 8.285 -10.783 1.00 0.00 H new ATOM 0 HA CYS A 138 2.027 9.020 -8.825 1.00 0.00 H new ATOM 0 HB2 CYS A 138 2.169 9.457 -11.829 1.00 0.00 H new ATOM 0 HB3 CYS A 138 1.079 10.218 -10.687 1.00 0.00 H new ATOM 0 HG CYS A 138 4.423 10.722 -10.164 1.00 0.00 H new ATOM 1613 N LEU A 139 0.981 6.754 -9.053 1.00 0.00 N ATOM 1614 CA LEU A 139 0.032 5.616 -9.163 1.00 0.00 C ATOM 1615 C LEU A 139 -1.410 6.096 -8.870 1.00 0.00 C ATOM 1616 O LEU A 139 -1.715 6.551 -7.762 1.00 0.00 O ATOM 1617 CB LEU A 139 0.412 4.329 -8.364 1.00 0.00 C ATOM 1618 CG LEU A 139 1.103 4.331 -6.971 1.00 0.00 C ATOM 1619 CD1 LEU A 139 2.634 4.509 -7.047 1.00 0.00 C ATOM 1620 CD2 LEU A 139 0.499 5.256 -5.918 1.00 0.00 C ATOM 0 H LEU A 139 1.243 6.977 -8.093 1.00 0.00 H new ATOM 0 HA LEU A 139 0.098 5.280 -10.198 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -0.513 3.765 -8.242 1.00 0.00 H new ATOM 0 HB3 LEU A 139 1.057 3.745 -9.021 1.00 0.00 H new ATOM 0 HG LEU A 139 0.890 3.323 -6.614 1.00 0.00 H new ATOM 0 HD11 LEU A 139 3.052 4.501 -6.040 1.00 0.00 H new ATOM 0 HD12 LEU A 139 3.067 3.693 -7.626 1.00 0.00 H new ATOM 0 HD13 LEU A 139 2.866 5.459 -7.529 1.00 0.00 H new ATOM 0 HD21 LEU A 139 1.065 5.170 -4.991 1.00 0.00 H new ATOM 0 HD22 LEU A 139 0.538 6.286 -6.273 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -0.538 4.973 -5.737 1.00 0.00 H new ATOM 1632 N GLU A 140 -2.299 5.948 -9.874 1.00 0.00 N ATOM 1633 CA GLU A 140 -3.757 6.179 -9.695 1.00 0.00 C ATOM 1634 C GLU A 140 -4.449 4.860 -9.228 1.00 0.00 C ATOM 1635 O GLU A 140 -4.663 3.917 -10.000 1.00 0.00 O ATOM 1636 CB GLU A 140 -4.364 6.837 -10.959 1.00 0.00 C ATOM 1637 CG GLU A 140 -5.813 7.350 -10.737 1.00 0.00 C ATOM 1638 CD GLU A 140 -6.308 8.388 -11.729 1.00 0.00 C ATOM 1639 OE1 GLU A 140 -6.028 9.588 -11.521 1.00 0.00 O ATOM 1640 OE2 GLU A 140 -7.012 8.017 -12.692 1.00 0.00 O ATOM 0 H GLU A 140 -2.037 5.669 -10.820 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.939 6.899 -8.897 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -3.732 7.670 -11.268 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -4.361 6.115 -11.775 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -6.489 6.495 -10.767 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -5.878 7.773 -9.735 1.00 0.00 H new ATOM 1647 N VAL A 141 -4.761 4.832 -7.921 1.00 0.00 N ATOM 1648 CA VAL A 141 -5.227 3.622 -7.198 1.00 0.00 C ATOM 1649 C VAL A 141 -6.773 3.546 -7.353 1.00 0.00 C ATOM 1650 O VAL A 141 -7.517 4.257 -6.670 1.00 0.00 O ATOM 1651 CB VAL A 141 -4.767 3.658 -5.695 1.00 0.00 C ATOM 1652 CG1 VAL A 141 -5.224 2.410 -4.903 1.00 0.00 C ATOM 1653 CG2 VAL A 141 -3.237 3.801 -5.504 1.00 0.00 C ATOM 0 H VAL A 141 -4.698 5.656 -7.324 1.00 0.00 H new ATOM 0 HA VAL A 141 -4.784 2.720 -7.620 1.00 0.00 H new ATOM 0 HB VAL A 141 -5.253 4.553 -5.306 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -4.879 2.487 -3.872 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -6.312 2.348 -4.918 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -4.803 1.515 -5.360 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -3.003 3.818 -4.439 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -2.731 2.957 -5.973 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -2.898 4.729 -5.965 1.00 0.00 H new ATOM 1663 N THR A 142 -7.221 2.642 -8.237 1.00 0.00 N ATOM 1664 CA THR A 142 -8.653 2.292 -8.407 1.00 0.00 C ATOM 1665 C THR A 142 -8.912 1.048 -7.509 1.00 0.00 C ATOM 1666 O THR A 142 -8.449 -0.056 -7.815 1.00 0.00 O ATOM 1667 CB THR A 142 -8.948 2.061 -9.921 1.00 0.00 C ATOM 1668 OG1 THR A 142 -8.661 3.247 -10.657 1.00 0.00 O ATOM 1669 CG2 THR A 142 -10.406 1.678 -10.234 1.00 0.00 C ATOM 0 H THR A 142 -6.602 2.126 -8.862 1.00 0.00 H new ATOM 0 HA THR A 142 -9.332 3.086 -8.096 1.00 0.00 H new ATOM 0 HB THR A 142 -8.311 1.224 -10.208 1.00 0.00 H new ATOM 0 HG1 THR A 142 -8.847 3.095 -11.607 1.00 0.00 H new ATOM 0 HG21 THR A 142 -10.522 1.536 -11.308 1.00 0.00 H new ATOM 0 HG22 THR A 142 -10.658 0.752 -9.717 1.00 0.00 H new ATOM 0 HG23 THR A 142 -11.071 2.474 -9.899 1.00 0.00 H new ATOM 1677 N LEU A 143 -9.650 1.250 -6.400 1.00 0.00 N ATOM 1678 CA LEU A 143 -9.936 0.176 -5.411 1.00 0.00 C ATOM 1679 C LEU A 143 -11.115 -0.690 -5.943 1.00 0.00 C ATOM 1680 O LEU A 143 -12.268 -0.244 -5.948 1.00 0.00 O ATOM 1681 CB LEU A 143 -10.239 0.810 -4.013 1.00 0.00 C ATOM 1682 CG LEU A 143 -9.940 -0.036 -2.740 1.00 0.00 C ATOM 1683 CD1 LEU A 143 -10.536 -1.459 -2.741 1.00 0.00 C ATOM 1684 CD2 LEU A 143 -8.433 -0.067 -2.420 1.00 0.00 C ATOM 0 H LEU A 143 -10.064 2.151 -6.160 1.00 0.00 H new ATOM 0 HA LEU A 143 -9.071 -0.475 -5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -9.670 1.737 -3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -11.295 1.081 -3.992 1.00 0.00 H new ATOM 0 HG LEU A 143 -10.464 0.487 -1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -10.271 -1.965 -1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -11.621 -1.399 -2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -10.137 -2.020 -3.586 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -8.263 -0.666 -1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -7.892 -0.505 -3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -8.076 0.949 -2.249 1.00 0.00 H new ATOM 1696 N LYS A 144 -10.806 -1.912 -6.419 1.00 0.00 N ATOM 1697 CA LYS A 144 -11.807 -2.777 -7.105 1.00 0.00 C ATOM 1698 C LYS A 144 -12.784 -3.492 -6.121 1.00 0.00 C ATOM 1699 O LYS A 144 -13.968 -3.136 -6.100 1.00 0.00 O ATOM 1700 CB LYS A 144 -11.096 -3.744 -8.097 1.00 0.00 C ATOM 1701 CG LYS A 144 -10.558 -3.102 -9.399 1.00 0.00 C ATOM 1702 CD LYS A 144 -9.839 -4.140 -10.288 1.00 0.00 C ATOM 1703 CE LYS A 144 -9.907 -3.829 -11.795 1.00 0.00 C ATOM 1704 NZ LYS A 144 -9.066 -4.823 -12.515 1.00 0.00 N ATOM 0 H LYS A 144 -9.878 -2.328 -6.345 1.00 0.00 H new ATOM 0 HA LYS A 144 -12.458 -2.130 -7.693 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -10.263 -4.218 -7.578 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -11.795 -4.535 -8.367 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -11.383 -2.656 -9.954 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -9.869 -2.295 -9.150 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -8.793 -4.199 -9.987 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -10.278 -5.122 -10.110 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -10.938 -3.878 -12.147 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -9.551 -2.818 -11.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -8.323 -4.328 -13.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -8.628 -5.469 -11.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -9.659 -5.368 -13.173 1.00 0.00 H new ATOM 1718 N THR A 145 -12.317 -4.507 -5.364 1.00 0.00 N ATOM 1719 CA THR A 145 -13.206 -5.394 -4.561 1.00 0.00 C ATOM 1720 C THR A 145 -12.497 -5.795 -3.238 1.00 0.00 C ATOM 1721 O THR A 145 -11.329 -6.198 -3.234 1.00 0.00 O ATOM 1722 CB THR A 145 -13.667 -6.671 -5.335 1.00 0.00 C ATOM 1723 OG1 THR A 145 -12.554 -7.453 -5.763 1.00 0.00 O ATOM 1724 CG2 THR A 145 -14.572 -6.409 -6.553 1.00 0.00 C ATOM 0 H THR A 145 -11.327 -4.739 -5.288 1.00 0.00 H new ATOM 0 HA THR A 145 -14.108 -4.822 -4.344 1.00 0.00 H new ATOM 0 HB THR A 145 -14.267 -7.211 -4.602 1.00 0.00 H new ATOM 0 HG1 THR A 145 -12.876 -8.245 -6.242 1.00 0.00 H new ATOM 0 HG21 THR A 145 -14.836 -7.357 -7.021 1.00 0.00 H new ATOM 0 HG22 THR A 145 -15.479 -5.899 -6.229 1.00 0.00 H new ATOM 0 HG23 THR A 145 -14.042 -5.785 -7.273 1.00 0.00 H new ATOM 1732 N ALA A 146 -13.255 -5.738 -2.130 1.00 0.00 N ATOM 1733 CA ALA A 146 -12.825 -6.283 -0.819 1.00 0.00 C ATOM 1734 C ALA A 146 -13.501 -7.661 -0.601 1.00 0.00 C ATOM 1735 O ALA A 146 -14.725 -7.748 -0.456 1.00 0.00 O ATOM 1736 CB ALA A 146 -13.200 -5.271 0.276 1.00 0.00 C ATOM 0 H ALA A 146 -14.183 -5.315 -2.112 1.00 0.00 H new ATOM 0 HA ALA A 146 -11.746 -6.435 -0.785 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -12.891 -5.655 1.248 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -12.696 -4.324 0.084 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -14.279 -5.115 0.274 1.00 0.00 H new ATOM 1742 N VAL A 147 -12.690 -8.735 -0.629 1.00 0.00 N ATOM 1743 CA VAL A 147 -13.191 -10.143 -0.634 1.00 0.00 C ATOM 1744 C VAL A 147 -12.314 -10.998 0.323 1.00 0.00 C ATOM 1745 O VAL A 147 -11.087 -10.887 0.331 1.00 0.00 O ATOM 1746 CB VAL A 147 -13.275 -10.775 -2.071 1.00 0.00 C ATOM 1747 CG1 VAL A 147 -14.417 -10.172 -2.917 1.00 0.00 C ATOM 1748 CG2 VAL A 147 -11.960 -10.768 -2.890 1.00 0.00 C ATOM 0 H VAL A 147 -11.673 -8.664 -0.649 1.00 0.00 H new ATOM 0 HA VAL A 147 -14.220 -10.131 -0.275 1.00 0.00 H new ATOM 0 HB VAL A 147 -13.489 -11.822 -1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -14.430 -10.644 -3.900 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -15.370 -10.346 -2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -14.258 -9.100 -3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 147 -12.135 -11.228 -3.863 1.00 0.00 H new ATOM 0 HG22 VAL A 147 -11.624 -9.741 -3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 147 -11.195 -11.331 -2.355 1.00 0.00 H new ATOM 1758 N ASP A 148 -12.945 -11.892 1.105 1.00 0.00 N ATOM 1759 CA ASP A 148 -12.228 -12.795 2.051 1.00 0.00 C ATOM 1760 C ASP A 148 -11.334 -13.895 1.375 1.00 0.00 C ATOM 1761 O ASP A 148 -11.601 -14.370 0.263 1.00 0.00 O ATOM 1762 CB ASP A 148 -13.251 -13.340 3.086 1.00 0.00 C ATOM 1763 CG ASP A 148 -14.346 -14.271 2.563 1.00 0.00 C ATOM 1764 OD1 ASP A 148 -15.367 -13.765 2.049 1.00 0.00 O ATOM 1765 OD2 ASP A 148 -14.187 -15.504 2.672 1.00 0.00 O ATOM 0 H ASP A 148 -13.957 -12.016 1.107 1.00 0.00 H new ATOM 0 HA ASP A 148 -11.476 -12.207 2.577 1.00 0.00 H new ATOM 0 HB2 ASP A 148 -12.698 -13.871 3.861 1.00 0.00 H new ATOM 0 HB3 ASP A 148 -13.733 -12.488 3.566 1.00 0.00 H new ATOM 1770 N GLY A 149 -10.237 -14.254 2.067 1.00 0.00 N ATOM 1771 CA GLY A 149 -9.218 -15.185 1.537 1.00 0.00 C ATOM 1772 C GLY A 149 -9.425 -16.648 2.008 1.00 0.00 C ATOM 1773 O GLY A 149 -9.289 -16.872 3.215 1.00 0.00 O ATOM 0 H GLY A 149 -10.031 -13.910 3.005 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -9.238 -15.154 0.448 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -8.229 -14.847 1.847 1.00 0.00 H new