USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 802 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 63 CYS SG : rot 146:sc= 0.208 USER MOD Set 1.2: A 66 CYS SG : rot 101:sc= -7.47! USER MOD Set 1.3: A 75 ASN : amide:sc= -5.41! C(o=-14!,f=-18!) USER MOD Set 1.4: A 92 CYS SG : rot -98:sc= -2.69! USER MOD Set 1.5: A 95 CYS SG : rot 24:sc= 0.896 USER MOD Single : A 23 SER OG : rot 72:sc= 0.444 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 21:sc= -3.02! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -6.38! C(o=-6.4!,f=-3!) USER MOD Single : A 48 GLN : amide:sc= -0.371 K(o=-0.37,f=-1.1) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -163:sc= -0.0241 (180deg=-0.335) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -113:sc= -0.445 (180deg=-0.7) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-3.4!) USER MOD Single : A 82 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.27) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HE2:sc= -0.385 X(o=-0.38,f=-0.77) USER MOD Single : A 91 LYS NZ :NH3+ -154:sc= -1.19! (180deg=-1.53!) USER MOD Single : A 97 HIS : no HD1:sc= -0.63 K(o=-0.63,f=-0.087) USER MOD Single : A 99 MET CE :methyl 160:sc= -0.0554 (180deg=-0.555) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 16 -19.256 -19.781 0.691 1.00 0.00 N ATOM 24 CA GLU A 16 -19.940 -19.820 -0.593 1.00 0.00 C ATOM 25 C GLU A 16 -21.090 -18.806 -0.634 1.00 0.00 C ATOM 26 O GLU A 16 -21.455 -18.317 -1.702 1.00 0.00 O ATOM 27 CB GLU A 16 -20.473 -21.237 -0.815 1.00 0.00 C ATOM 28 CG GLU A 16 -19.307 -22.231 -0.982 1.00 0.00 C ATOM 29 CD GLU A 16 -19.775 -23.688 -1.112 1.00 0.00 C ATOM 30 OE1 GLU A 16 -20.971 -23.932 -1.107 1.00 0.00 O ATOM 31 OE2 GLU A 16 -18.917 -24.557 -1.066 1.00 0.00 O ATOM 0 HA GLU A 16 -19.240 -19.555 -1.385 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -21.095 -21.535 0.029 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -21.107 -21.259 -1.701 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.730 -21.960 -1.866 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.638 -22.145 -0.126 1.00 0.00 H new ATOM 38 N ARG A 17 -21.802 -18.684 0.488 1.00 0.00 N ATOM 39 CA ARG A 17 -22.951 -17.788 0.609 1.00 0.00 C ATOM 40 C ARG A 17 -22.568 -16.323 0.411 1.00 0.00 C ATOM 41 O ARG A 17 -23.047 -15.690 -0.521 1.00 0.00 O ATOM 42 CB ARG A 17 -23.524 -17.964 2.014 1.00 0.00 C ATOM 43 CG ARG A 17 -24.780 -17.110 2.192 1.00 0.00 C ATOM 44 CD ARG A 17 -25.337 -17.314 3.603 1.00 0.00 C ATOM 45 NE ARG A 17 -26.515 -16.467 3.798 1.00 0.00 N ATOM 46 CZ ARG A 17 -27.749 -16.852 3.470 1.00 0.00 C ATOM 47 NH1 ARG A 17 -27.947 -18.005 2.885 1.00 0.00 N ATOM 48 NH2 ARG A 17 -28.760 -16.042 3.651 1.00 0.00 N ATOM 0 H ARG A 17 -21.596 -19.206 1.340 1.00 0.00 H new ATOM 0 HA ARG A 17 -23.675 -18.041 -0.165 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -23.763 -19.013 2.187 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -22.777 -17.681 2.756 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -24.544 -16.058 2.031 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -25.529 -17.386 1.450 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -25.602 -18.361 3.752 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -24.575 -17.070 4.343 1.00 0.00 H new ATOM 0 HE ARG A 17 -26.386 -15.540 4.203 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -27.156 -18.614 2.678 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -28.893 -18.295 2.636 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -28.606 -15.113 4.044 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -29.703 -16.339 3.399 1.00 0.00 H new ATOM 62 N ILE A 18 -21.456 -15.937 1.031 1.00 0.00 N ATOM 63 CA ILE A 18 -20.996 -14.557 0.981 1.00 0.00 C ATOM 64 C ILE A 18 -20.583 -14.208 -0.451 1.00 0.00 C ATOM 65 O ILE A 18 -20.605 -13.040 -0.829 1.00 0.00 O ATOM 66 CB ILE A 18 -19.900 -14.284 2.022 1.00 0.00 C ATOM 67 CG1 ILE A 18 -19.657 -12.771 2.123 1.00 0.00 C ATOM 68 CG2 ILE A 18 -18.587 -15.005 1.688 1.00 0.00 C ATOM 69 CD1 ILE A 18 -18.833 -12.446 3.375 1.00 0.00 C ATOM 0 H ILE A 18 -20.859 -16.562 1.573 1.00 0.00 H new ATOM 0 HA ILE A 18 -21.815 -13.892 1.255 1.00 0.00 H new ATOM 0 HB ILE A 18 -20.246 -14.674 2.979 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -19.134 -12.420 1.234 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -20.611 -12.244 2.160 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -17.844 -14.781 2.453 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -18.761 -16.081 1.655 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -18.223 -14.667 0.718 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -18.669 -11.370 3.433 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -19.372 -12.779 4.262 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -17.872 -12.957 3.321 1.00 0.00 H new ATOM 81 N ASP A 19 -20.006 -15.178 -1.152 1.00 0.00 N ATOM 82 CA ASP A 19 -19.480 -14.953 -2.490 1.00 0.00 C ATOM 83 C ASP A 19 -20.598 -14.531 -3.452 1.00 0.00 C ATOM 84 O ASP A 19 -20.351 -13.777 -4.398 1.00 0.00 O ATOM 85 CB ASP A 19 -18.904 -16.276 -2.995 1.00 0.00 C ATOM 86 CG ASP A 19 -17.466 -16.547 -2.551 1.00 0.00 C ATOM 87 OD1 ASP A 19 -16.739 -15.607 -2.285 1.00 0.00 O ATOM 88 OD2 ASP A 19 -17.092 -17.718 -2.496 1.00 0.00 O ATOM 0 H ASP A 19 -19.891 -16.133 -0.812 1.00 0.00 H new ATOM 0 HA ASP A 19 -18.727 -14.166 -2.450 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -19.539 -17.091 -2.648 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.943 -16.283 -4.084 1.00 0.00 H new ATOM 93 N ILE A 20 -21.774 -15.133 -3.293 1.00 0.00 N ATOM 94 CA ILE A 20 -22.922 -14.779 -4.110 1.00 0.00 C ATOM 95 C ILE A 20 -23.318 -13.332 -3.870 1.00 0.00 C ATOM 96 O ILE A 20 -23.407 -12.543 -4.812 1.00 0.00 O ATOM 97 CB ILE A 20 -24.092 -15.694 -3.742 1.00 0.00 C ATOM 98 CG1 ILE A 20 -23.783 -17.129 -4.175 1.00 0.00 C ATOM 99 CG2 ILE A 20 -25.356 -15.213 -4.455 1.00 0.00 C ATOM 100 CD1 ILE A 20 -24.805 -18.106 -3.584 1.00 0.00 C ATOM 0 H ILE A 20 -21.953 -15.866 -2.607 1.00 0.00 H new ATOM 0 HA ILE A 20 -22.665 -14.900 -5.162 1.00 0.00 H new ATOM 0 HB ILE A 20 -24.244 -15.667 -2.663 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -23.795 -17.196 -5.263 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -22.780 -17.404 -3.850 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -26.191 -15.864 -4.194 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -25.581 -14.192 -4.147 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -25.198 -15.240 -5.533 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -24.566 -19.120 -3.905 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -24.773 -18.052 -2.496 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -25.804 -17.841 -3.931 1.00 0.00 H new ATOM 112 N LEU A 21 -23.333 -12.967 -2.592 1.00 0.00 N ATOM 113 CA LEU A 21 -23.650 -11.606 -2.161 1.00 0.00 C ATOM 114 C LEU A 21 -22.610 -10.619 -2.693 1.00 0.00 C ATOM 115 O LEU A 21 -22.968 -9.501 -3.075 1.00 0.00 O ATOM 116 CB LEU A 21 -23.759 -11.491 -0.636 1.00 0.00 C ATOM 117 CG LEU A 21 -25.154 -11.935 -0.184 1.00 0.00 C ATOM 118 CD1 LEU A 21 -25.342 -13.440 -0.398 1.00 0.00 C ATOM 119 CD2 LEU A 21 -25.340 -11.617 1.300 1.00 0.00 C ATOM 0 H LEU A 21 -23.126 -13.605 -1.824 1.00 0.00 H new ATOM 0 HA LEU A 21 -24.626 -11.357 -2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -22.998 -12.109 -0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -23.575 -10.463 -0.325 1.00 0.00 H new ATOM 0 HG LEU A 21 -25.893 -11.397 -0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -26.340 -13.732 -0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -25.225 -13.675 -1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -24.596 -13.986 0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -26.333 -11.934 1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -24.586 -12.146 1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -25.234 -10.544 1.458 1.00 0.00 H new ATOM 131 N PHE A 22 -21.340 -11.021 -2.665 1.00 0.00 N ATOM 132 CA PHE A 22 -20.257 -10.207 -3.203 1.00 0.00 C ATOM 133 C PHE A 22 -20.477 -9.927 -4.686 1.00 0.00 C ATOM 134 O PHE A 22 -20.318 -8.792 -5.129 1.00 0.00 O ATOM 135 CB PHE A 22 -18.931 -10.961 -3.041 1.00 0.00 C ATOM 136 CG PHE A 22 -17.782 -10.165 -3.622 1.00 0.00 C ATOM 137 CD1 PHE A 22 -17.221 -9.106 -2.901 1.00 0.00 C ATOM 138 CD2 PHE A 22 -17.348 -10.419 -4.929 1.00 0.00 C ATOM 139 CE1 PHE A 22 -16.025 -8.538 -3.334 1.00 0.00 C ATOM 140 CE2 PHE A 22 -16.267 -9.693 -5.449 1.00 0.00 C ATOM 141 CZ PHE A 22 -15.551 -8.824 -4.619 1.00 0.00 C ATOM 0 H PHE A 22 -21.037 -11.912 -2.272 1.00 0.00 H new ATOM 0 HA PHE A 22 -20.232 -9.262 -2.660 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -18.746 -11.156 -1.985 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -18.996 -11.929 -3.538 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -17.712 -8.731 -2.015 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -17.842 -11.167 -5.531 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -15.468 -7.881 -2.682 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -15.988 -9.804 -6.486 1.00 0.00 H new ATOM 0 HZ PHE A 22 -14.634 -8.374 -4.970 1.00 0.00 H new ATOM 151 N SER A 23 -20.822 -10.960 -5.451 1.00 0.00 N ATOM 152 CA SER A 23 -21.094 -10.785 -6.874 1.00 0.00 C ATOM 153 C SER A 23 -22.264 -9.830 -7.115 1.00 0.00 C ATOM 154 O SER A 23 -22.232 -9.039 -8.058 1.00 0.00 O ATOM 155 CB SER A 23 -21.412 -12.144 -7.497 1.00 0.00 C ATOM 156 OG SER A 23 -20.323 -13.041 -7.317 1.00 0.00 O ATOM 0 H SER A 23 -20.919 -11.918 -5.113 1.00 0.00 H new ATOM 0 HA SER A 23 -20.207 -10.351 -7.336 1.00 0.00 H new ATOM 0 HB2 SER A 23 -22.311 -12.558 -7.041 1.00 0.00 H new ATOM 0 HB3 SER A 23 -21.620 -12.024 -8.560 1.00 0.00 H new ATOM 0 HG SER A 23 -20.269 -13.305 -6.375 1.00 0.00 H new ATOM 162 N LEU A 24 -23.334 -9.981 -6.334 1.00 0.00 N ATOM 163 CA LEU A 24 -24.501 -9.110 -6.454 1.00 0.00 C ATOM 164 C LEU A 24 -24.154 -7.665 -6.131 1.00 0.00 C ATOM 165 O LEU A 24 -24.550 -6.755 -6.853 1.00 0.00 O ATOM 166 CB LEU A 24 -25.593 -9.567 -5.490 1.00 0.00 C ATOM 167 CG LEU A 24 -26.180 -10.910 -5.944 1.00 0.00 C ATOM 168 CD1 LEU A 24 -27.068 -11.481 -4.835 1.00 0.00 C ATOM 169 CD2 LEU A 24 -27.011 -10.722 -7.220 1.00 0.00 C ATOM 0 H LEU A 24 -23.416 -10.698 -5.613 1.00 0.00 H new ATOM 0 HA LEU A 24 -24.848 -9.171 -7.485 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -25.182 -9.664 -4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -26.382 -8.816 -5.441 1.00 0.00 H new ATOM 0 HG LEU A 24 -25.363 -11.601 -6.152 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -27.485 -12.435 -5.158 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -26.473 -11.631 -3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -27.879 -10.784 -4.623 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -27.422 -11.682 -7.531 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -27.826 -10.025 -7.024 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -26.376 -10.325 -8.012 1.00 0.00 H new ATOM 181 N ALA A 25 -23.356 -7.474 -5.082 1.00 0.00 N ATOM 182 CA ALA A 25 -22.958 -6.130 -4.690 1.00 0.00 C ATOM 183 C ALA A 25 -22.128 -5.476 -5.790 1.00 0.00 C ATOM 184 O ALA A 25 -22.138 -4.260 -5.922 1.00 0.00 O ATOM 185 CB ALA A 25 -22.140 -6.182 -3.401 1.00 0.00 C ATOM 0 H ALA A 25 -22.979 -8.221 -4.499 1.00 0.00 H new ATOM 0 HA ALA A 25 -23.859 -5.539 -4.526 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -21.847 -5.172 -3.115 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -22.741 -6.624 -2.606 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -21.248 -6.788 -3.560 1.00 0.00 H new ATOM 191 N GLU A 26 -21.266 -6.260 -6.432 1.00 0.00 N ATOM 192 CA GLU A 26 -20.361 -5.714 -7.434 1.00 0.00 C ATOM 193 C GLU A 26 -21.106 -5.226 -8.679 1.00 0.00 C ATOM 194 O GLU A 26 -20.612 -4.320 -9.340 1.00 0.00 O ATOM 195 CB GLU A 26 -19.343 -6.798 -7.791 1.00 0.00 C ATOM 196 CG GLU A 26 -18.298 -6.270 -8.780 1.00 0.00 C ATOM 197 CD GLU A 26 -17.237 -7.325 -9.112 1.00 0.00 C ATOM 198 OE1 GLU A 26 -17.452 -8.494 -8.828 1.00 0.00 O ATOM 199 OE2 GLU A 26 -16.244 -6.959 -9.721 1.00 0.00 O ATOM 0 H GLU A 26 -21.177 -7.264 -6.278 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.855 -4.840 -7.024 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -18.847 -7.148 -6.886 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -19.857 -7.656 -8.224 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -18.794 -5.954 -9.697 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.814 -5.389 -8.360 1.00 0.00 H new ATOM 206 N ARG A 27 -22.097 -5.983 -9.162 1.00 0.00 N ATOM 207 CA ARG A 27 -22.884 -5.535 -10.313 1.00 0.00 C ATOM 208 C ARG A 27 -23.702 -4.273 -10.029 1.00 0.00 C ATOM 209 O ARG A 27 -23.757 -3.366 -10.860 1.00 0.00 O ATOM 210 CB ARG A 27 -23.853 -6.630 -10.772 1.00 0.00 C ATOM 211 CG ARG A 27 -24.592 -6.139 -12.024 1.00 0.00 C ATOM 212 CD ARG A 27 -25.594 -7.188 -12.514 1.00 0.00 C ATOM 213 NE ARG A 27 -26.156 -6.760 -13.794 1.00 0.00 N ATOM 214 CZ ARG A 27 -27.262 -7.297 -14.313 1.00 0.00 C ATOM 215 NH1 ARG A 27 -27.902 -8.234 -13.671 1.00 0.00 N ATOM 216 NH2 ARG A 27 -27.687 -6.909 -15.487 1.00 0.00 N ATOM 0 H ARG A 27 -22.369 -6.890 -8.783 1.00 0.00 H new ATOM 0 HA ARG A 27 -22.155 -5.308 -11.091 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -23.309 -7.549 -10.990 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -24.565 -6.861 -9.979 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -25.114 -5.208 -11.802 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -23.873 -5.921 -12.813 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -25.101 -8.154 -12.625 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -26.389 -7.318 -11.780 1.00 0.00 H new ATOM 0 HE ARG A 27 -25.683 -6.020 -14.312 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -27.558 -8.560 -12.768 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -28.747 -8.641 -14.072 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -27.173 -6.196 -16.005 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -28.532 -7.319 -15.884 1.00 0.00 H new ATOM 230 N VAL A 28 -24.354 -4.234 -8.867 1.00 0.00 N ATOM 231 CA VAL A 28 -25.185 -3.095 -8.480 1.00 0.00 C ATOM 232 C VAL A 28 -24.322 -1.850 -8.308 1.00 0.00 C ATOM 233 O VAL A 28 -24.814 -0.724 -8.330 1.00 0.00 O ATOM 234 CB VAL A 28 -25.993 -3.431 -7.224 1.00 0.00 C ATOM 235 CG1 VAL A 28 -25.057 -3.732 -6.054 1.00 0.00 C ATOM 236 CG2 VAL A 28 -26.885 -2.248 -6.850 1.00 0.00 C ATOM 0 H VAL A 28 -24.322 -4.982 -8.175 1.00 0.00 H new ATOM 0 HA VAL A 28 -25.903 -2.880 -9.271 1.00 0.00 H new ATOM 0 HB VAL A 28 -26.606 -4.308 -7.433 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -25.646 -3.969 -5.168 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -24.422 -4.581 -6.305 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -24.434 -2.860 -5.853 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -27.458 -2.493 -5.955 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -26.266 -1.372 -6.656 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -27.569 -2.034 -7.671 1.00 0.00 H new ATOM 246 N PHE A 29 -23.102 -2.099 -7.850 1.00 0.00 N ATOM 247 CA PHE A 29 -22.219 -1.043 -7.378 1.00 0.00 C ATOM 248 C PHE A 29 -21.982 0.030 -8.447 1.00 0.00 C ATOM 249 O PHE A 29 -22.235 1.203 -8.183 1.00 0.00 O ATOM 250 CB PHE A 29 -20.909 -1.695 -6.926 1.00 0.00 C ATOM 251 CG PHE A 29 -19.911 -0.638 -6.532 1.00 0.00 C ATOM 252 CD1 PHE A 29 -20.212 0.175 -5.438 1.00 0.00 C ATOM 253 CD2 PHE A 29 -18.602 -0.724 -7.010 1.00 0.00 C ATOM 254 CE1 PHE A 29 -19.183 0.837 -4.785 1.00 0.00 C ATOM 255 CE2 PHE A 29 -17.620 0.113 -6.484 1.00 0.00 C ATOM 256 CZ PHE A 29 -17.913 0.901 -5.366 1.00 0.00 C ATOM 0 H PHE A 29 -22.699 -3.034 -7.796 1.00 0.00 H new ATOM 0 HA PHE A 29 -22.684 -0.523 -6.541 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -21.097 -2.360 -6.083 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -20.502 -2.307 -7.731 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -21.233 0.287 -5.104 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -18.352 -1.435 -7.783 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -19.363 1.303 -3.828 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -16.640 0.153 -6.936 1.00 0.00 H new ATOM 0 HZ PHE A 29 -17.161 1.557 -4.953 1.00 0.00 H new ATOM 266 N PRO A 30 -21.440 -0.311 -9.634 1.00 0.00 N ATOM 267 CA PRO A 30 -21.348 0.664 -10.760 1.00 0.00 C ATOM 268 C PRO A 30 -22.706 1.167 -11.229 1.00 0.00 C ATOM 269 O PRO A 30 -22.792 2.232 -11.839 1.00 0.00 O ATOM 270 CB PRO A 30 -20.681 -0.141 -11.879 1.00 0.00 C ATOM 271 CG PRO A 30 -20.984 -1.572 -11.577 1.00 0.00 C ATOM 272 CD PRO A 30 -21.064 -1.669 -10.056 1.00 0.00 C ATOM 0 HA PRO A 30 -20.802 1.558 -10.460 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -21.072 0.145 -12.855 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -19.606 0.036 -11.902 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -21.923 -1.878 -12.038 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -20.207 -2.227 -11.970 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -21.804 -2.405 -9.741 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -20.110 -1.972 -9.624 1.00 0.00 H new ATOM 280 N TYR A 31 -23.717 0.309 -11.125 1.00 0.00 N ATOM 281 CA TYR A 31 -25.055 0.648 -11.605 1.00 0.00 C ATOM 282 C TYR A 31 -25.642 1.839 -10.864 1.00 0.00 C ATOM 283 O TYR A 31 -25.974 2.853 -11.469 1.00 0.00 O ATOM 284 CB TYR A 31 -25.976 -0.565 -11.444 1.00 0.00 C ATOM 285 CG TYR A 31 -27.390 -0.204 -11.854 1.00 0.00 C ATOM 286 CD1 TYR A 31 -27.728 -0.086 -13.206 1.00 0.00 C ATOM 287 CD2 TYR A 31 -28.351 0.038 -10.864 1.00 0.00 C ATOM 288 CE1 TYR A 31 -29.011 0.338 -13.563 1.00 0.00 C ATOM 289 CE2 TYR A 31 -29.614 0.512 -11.221 1.00 0.00 C ATOM 290 CZ TYR A 31 -29.975 0.573 -12.572 1.00 0.00 C ATOM 291 OH TYR A 31 -31.299 0.755 -12.923 1.00 0.00 O ATOM 0 H TYR A 31 -23.637 -0.622 -10.715 1.00 0.00 H new ATOM 0 HA TYR A 31 -24.973 0.923 -12.657 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -25.612 -1.391 -12.055 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -25.965 -0.905 -10.408 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -27.002 -0.321 -13.970 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -28.115 -0.142 -9.826 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -29.260 0.485 -14.604 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -30.310 0.830 -10.459 1.00 0.00 H new ATOM 0 HH TYR A 31 -31.834 0.905 -12.116 1.00 0.00 H new ATOM 301 N SER A 32 -25.542 1.779 -9.542 1.00 0.00 N ATOM 302 CA SER A 32 -26.035 2.851 -8.688 1.00 0.00 C ATOM 303 C SER A 32 -25.442 2.688 -7.289 1.00 0.00 C ATOM 304 O SER A 32 -25.565 1.617 -6.692 1.00 0.00 O ATOM 305 CB SER A 32 -27.563 2.809 -8.598 1.00 0.00 C ATOM 306 OG SER A 32 -27.968 1.558 -8.065 1.00 0.00 O ATOM 0 H SER A 32 -25.123 0.998 -9.038 1.00 0.00 H new ATOM 0 HA SER A 32 -25.736 3.808 -9.115 1.00 0.00 H new ATOM 0 HB2 SER A 32 -27.924 3.620 -7.966 1.00 0.00 H new ATOM 0 HB3 SER A 32 -28.001 2.955 -9.585 1.00 0.00 H new ATOM 0 HG SER A 32 -27.223 1.156 -7.572 1.00 0.00 H new ATOM 312 N PRO A 33 -24.708 3.693 -6.785 1.00 0.00 N ATOM 313 CA PRO A 33 -24.059 3.607 -5.447 1.00 0.00 C ATOM 314 C PRO A 33 -25.074 3.298 -4.348 1.00 0.00 C ATOM 315 O PRO A 33 -24.837 2.439 -3.501 1.00 0.00 O ATOM 316 CB PRO A 33 -23.412 4.991 -5.277 1.00 0.00 C ATOM 317 CG PRO A 33 -23.187 5.507 -6.657 1.00 0.00 C ATOM 318 CD PRO A 33 -24.306 4.914 -7.509 1.00 0.00 C ATOM 0 HA PRO A 33 -23.332 2.798 -5.374 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -24.061 5.659 -4.711 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -22.473 4.919 -4.729 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -23.216 6.596 -6.677 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -22.209 5.207 -7.032 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -25.140 5.609 -7.610 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -23.959 4.683 -8.516 1.00 0.00 H new ATOM 326 N GLU A 34 -26.260 3.889 -4.463 1.00 0.00 N ATOM 327 CA GLU A 34 -27.247 3.801 -3.392 1.00 0.00 C ATOM 328 C GLU A 34 -27.784 2.382 -3.210 1.00 0.00 C ATOM 329 O GLU A 34 -28.053 1.962 -2.088 1.00 0.00 O ATOM 330 CB GLU A 34 -28.415 4.742 -3.699 1.00 0.00 C ATOM 331 CG GLU A 34 -27.957 6.207 -3.609 1.00 0.00 C ATOM 332 CD GLU A 34 -29.067 7.188 -3.999 1.00 0.00 C ATOM 333 OE1 GLU A 34 -30.165 6.750 -4.308 1.00 0.00 O ATOM 334 OE2 GLU A 34 -28.853 8.374 -3.812 1.00 0.00 O ATOM 0 H GLU A 34 -26.558 4.427 -5.276 1.00 0.00 H new ATOM 0 HA GLU A 34 -26.750 4.089 -2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -28.805 4.536 -4.696 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -29.229 4.564 -2.996 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -27.627 6.420 -2.592 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -27.097 6.357 -4.261 1.00 0.00 H new ATOM 341 N LEU A 35 -28.078 1.703 -4.316 1.00 0.00 N ATOM 342 CA LEU A 35 -28.552 0.321 -4.252 1.00 0.00 C ATOM 343 C LEU A 35 -27.477 -0.581 -3.651 1.00 0.00 C ATOM 344 O LEU A 35 -27.699 -1.197 -2.611 1.00 0.00 O ATOM 345 CB LEU A 35 -28.961 -0.197 -5.633 1.00 0.00 C ATOM 346 CG LEU A 35 -30.231 0.514 -6.122 1.00 0.00 C ATOM 347 CD1 LEU A 35 -30.489 0.175 -7.595 1.00 0.00 C ATOM 348 CD2 LEU A 35 -31.441 0.083 -5.285 1.00 0.00 C ATOM 0 H LEU A 35 -27.998 2.082 -5.260 1.00 0.00 H new ATOM 0 HA LEU A 35 -29.434 0.303 -3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -28.150 -0.034 -6.343 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -29.134 -1.272 -5.588 1.00 0.00 H new ATOM 0 HG LEU A 35 -30.086 1.589 -6.015 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -31.392 0.684 -7.933 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -29.641 0.502 -8.197 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -30.617 -0.902 -7.703 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -32.333 0.596 -5.644 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -31.581 -0.994 -5.375 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -31.271 0.341 -4.240 1.00 0.00 H new ATOM 360 N ALA A 36 -26.241 -0.339 -4.082 1.00 0.00 N ATOM 361 CA ALA A 36 -25.090 -1.127 -3.656 1.00 0.00 C ATOM 362 C ALA A 36 -24.849 -0.992 -2.157 1.00 0.00 C ATOM 363 O ALA A 36 -24.471 -1.953 -1.487 1.00 0.00 O ATOM 364 CB ALA A 36 -23.854 -0.652 -4.412 1.00 0.00 C ATOM 0 H ALA A 36 -26.011 0.409 -4.736 1.00 0.00 H new ATOM 0 HA ALA A 36 -25.290 -2.176 -3.874 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -22.989 -1.237 -4.099 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -24.011 -0.781 -5.483 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -23.678 0.402 -4.195 1.00 0.00 H new ATOM 370 N LYS A 37 -25.110 0.206 -1.651 1.00 0.00 N ATOM 371 CA LYS A 37 -24.968 0.495 -0.233 1.00 0.00 C ATOM 372 C LYS A 37 -25.891 -0.429 0.560 1.00 0.00 C ATOM 373 O LYS A 37 -25.410 -1.159 1.425 1.00 0.00 O ATOM 374 CB LYS A 37 -25.346 1.970 -0.050 1.00 0.00 C ATOM 375 CG LYS A 37 -25.145 2.483 1.384 1.00 0.00 C ATOM 376 CD LYS A 37 -26.295 2.050 2.301 1.00 0.00 C ATOM 377 CE LYS A 37 -26.063 2.583 3.718 1.00 0.00 C ATOM 378 NZ LYS A 37 -27.200 2.165 4.585 1.00 0.00 N ATOM 0 H LYS A 37 -25.424 1.000 -2.209 1.00 0.00 H new ATOM 0 HA LYS A 37 -23.953 0.326 0.127 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -24.749 2.577 -0.731 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -26.390 2.107 -0.333 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -24.202 2.105 1.778 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -25.074 3.571 1.376 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -27.242 2.425 1.913 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -26.367 0.963 2.320 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -25.124 2.198 4.116 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -25.981 3.670 3.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -27.051 2.523 5.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -28.087 2.553 4.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -27.257 1.127 4.606 1.00 0.00 H new ATOM 392 N ARG A 38 -27.140 -0.580 0.116 1.00 0.00 N ATOM 393 CA ARG A 38 -28.075 -1.479 0.786 1.00 0.00 C ATOM 394 C ARG A 38 -27.650 -2.947 0.683 1.00 0.00 C ATOM 395 O ARG A 38 -27.620 -3.661 1.683 1.00 0.00 O ATOM 396 CB ARG A 38 -29.463 -1.286 0.162 1.00 0.00 C ATOM 397 CG ARG A 38 -30.011 0.085 0.579 1.00 0.00 C ATOM 398 CD ARG A 38 -31.350 0.360 -0.112 1.00 0.00 C ATOM 399 NE ARG A 38 -32.339 -0.614 0.340 1.00 0.00 N ATOM 400 CZ ARG A 38 -33.560 -0.678 -0.186 1.00 0.00 C ATOM 401 NH1 ARG A 38 -33.857 0.013 -1.251 1.00 0.00 N ATOM 402 NH2 ARG A 38 -34.389 -1.597 0.227 1.00 0.00 N ATOM 0 H ARG A 38 -27.523 -0.096 -0.696 1.00 0.00 H new ATOM 0 HA ARG A 38 -28.090 -1.232 1.848 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -29.400 -1.352 -0.924 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -30.137 -2.077 0.491 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -30.140 0.118 1.661 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -29.294 0.864 0.319 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -31.688 1.371 0.116 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -31.232 0.300 -1.194 1.00 0.00 H new ATOM 0 HE ARG A 38 -32.086 -1.266 1.082 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -33.152 0.607 -1.686 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -34.795 -0.041 -1.649 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -34.099 -2.259 0.947 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -35.327 -1.654 -0.170 1.00 0.00 H new ATOM 416 N TYR A 39 -27.178 -3.352 -0.495 1.00 0.00 N ATOM 417 CA TYR A 39 -26.695 -4.720 -0.693 1.00 0.00 C ATOM 418 C TYR A 39 -25.482 -5.060 0.170 1.00 0.00 C ATOM 419 O TYR A 39 -25.287 -6.235 0.472 1.00 0.00 O ATOM 420 CB TYR A 39 -26.399 -5.015 -2.170 1.00 0.00 C ATOM 421 CG TYR A 39 -27.692 -5.140 -2.946 1.00 0.00 C ATOM 422 CD1 TYR A 39 -28.472 -6.302 -2.799 1.00 0.00 C ATOM 423 CD2 TYR A 39 -28.160 -4.088 -3.744 1.00 0.00 C ATOM 424 CE1 TYR A 39 -29.644 -6.458 -3.545 1.00 0.00 C ATOM 425 CE2 TYR A 39 -29.286 -4.282 -4.555 1.00 0.00 C ATOM 426 CZ TYR A 39 -30.032 -5.463 -4.450 1.00 0.00 C ATOM 427 OH TYR A 39 -31.130 -5.668 -5.261 1.00 0.00 O ATOM 0 H TYR A 39 -27.119 -2.758 -1.322 1.00 0.00 H new ATOM 0 HA TYR A 39 -27.511 -5.365 -0.368 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -25.788 -4.217 -2.593 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -25.824 -5.937 -2.256 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -28.165 -7.074 -2.109 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -27.656 -3.133 -3.734 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -30.249 -7.344 -3.423 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -29.579 -3.520 -5.262 1.00 0.00 H new ATOM 0 HH TYR A 39 -31.267 -4.882 -5.831 1.00 0.00 H new ATOM 437 N VAL A 40 -24.519 -4.148 0.262 1.00 0.00 N ATOM 438 CA VAL A 40 -23.337 -4.381 1.089 1.00 0.00 C ATOM 439 C VAL A 40 -23.734 -4.496 2.561 1.00 0.00 C ATOM 440 O VAL A 40 -23.340 -5.433 3.246 1.00 0.00 O ATOM 441 CB VAL A 40 -22.289 -3.283 0.871 1.00 0.00 C ATOM 442 CG1 VAL A 40 -21.163 -3.460 1.892 1.00 0.00 C ATOM 443 CG2 VAL A 40 -21.701 -3.397 -0.540 1.00 0.00 C ATOM 0 H VAL A 40 -24.531 -3.249 -0.220 1.00 0.00 H new ATOM 0 HA VAL A 40 -22.883 -5.325 0.789 1.00 0.00 H new ATOM 0 HB VAL A 40 -22.759 -2.307 0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -20.413 -2.683 1.745 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.571 -3.384 2.900 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.702 -4.439 1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -20.957 -2.614 -0.689 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -21.230 -4.373 -0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -22.497 -3.285 -1.276 1.00 0.00 H new ATOM 453 N GLU A 41 -24.609 -3.603 3.013 1.00 0.00 N ATOM 454 CA GLU A 41 -25.011 -3.581 4.417 1.00 0.00 C ATOM 455 C GLU A 41 -25.686 -4.905 4.764 1.00 0.00 C ATOM 456 O GLU A 41 -25.283 -5.562 5.720 1.00 0.00 O ATOM 457 CB GLU A 41 -25.963 -2.403 4.660 1.00 0.00 C ATOM 458 CG GLU A 41 -26.466 -2.397 6.111 1.00 0.00 C ATOM 459 CD GLU A 41 -25.366 -2.080 7.128 1.00 0.00 C ATOM 460 OE1 GLU A 41 -24.363 -1.501 6.743 1.00 0.00 O ATOM 461 OE2 GLU A 41 -25.648 -2.201 8.309 1.00 0.00 O ATOM 0 H GLU A 41 -25.051 -2.890 2.433 1.00 0.00 H new ATOM 0 HA GLU A 41 -24.137 -3.454 5.056 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -25.451 -1.465 4.444 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -26.810 -2.468 3.977 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -27.265 -1.662 6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -26.898 -3.371 6.343 1.00 0.00 H new ATOM 468 N LEU A 42 -26.398 -5.439 3.773 1.00 0.00 N ATOM 469 CA LEU A 42 -26.832 -6.832 3.780 1.00 0.00 C ATOM 470 C LEU A 42 -25.672 -7.831 3.791 1.00 0.00 C ATOM 471 O LEU A 42 -25.693 -8.753 4.606 1.00 0.00 O ATOM 472 CB LEU A 42 -27.694 -7.003 2.521 1.00 0.00 C ATOM 473 CG LEU A 42 -28.098 -8.458 2.253 1.00 0.00 C ATOM 474 CD1 LEU A 42 -28.937 -9.046 3.389 1.00 0.00 C ATOM 475 CD2 LEU A 42 -28.914 -8.480 0.958 1.00 0.00 C ATOM 0 H LEU A 42 -26.689 -4.919 2.945 1.00 0.00 H new ATOM 0 HA LEU A 42 -27.385 -7.046 4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -28.594 -6.396 2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -27.146 -6.621 1.660 1.00 0.00 H new ATOM 0 HG LEU A 42 -27.196 -9.065 2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -29.198 -10.077 3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -28.364 -9.020 4.316 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -29.848 -8.460 3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -29.218 -9.503 0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -29.799 -7.855 1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -28.306 -8.097 0.138 1.00 0.00 H new ATOM 487 N ALA A 43 -24.631 -7.619 2.990 1.00 0.00 N ATOM 488 CA ALA A 43 -23.509 -8.559 2.974 1.00 0.00 C ATOM 489 C ALA A 43 -22.769 -8.588 4.312 1.00 0.00 C ATOM 490 O ALA A 43 -22.347 -9.652 4.759 1.00 0.00 O ATOM 491 CB ALA A 43 -22.540 -8.181 1.849 1.00 0.00 C ATOM 0 H ALA A 43 -24.539 -6.825 2.357 1.00 0.00 H new ATOM 0 HA ALA A 43 -23.910 -9.557 2.800 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -21.705 -8.881 1.838 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -23.060 -8.221 0.892 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -22.165 -7.171 2.016 1.00 0.00 H new ATOM 497 N LEU A 44 -22.564 -7.417 4.911 1.00 0.00 N ATOM 498 CA LEU A 44 -21.923 -7.323 6.221 1.00 0.00 C ATOM 499 C LEU A 44 -22.732 -8.000 7.326 1.00 0.00 C ATOM 500 O LEU A 44 -22.160 -8.658 8.190 1.00 0.00 O ATOM 501 CB LEU A 44 -21.635 -5.858 6.568 1.00 0.00 C ATOM 502 CG LEU A 44 -20.322 -5.397 5.916 1.00 0.00 C ATOM 503 CD1 LEU A 44 -20.399 -5.508 4.392 1.00 0.00 C ATOM 504 CD2 LEU A 44 -20.059 -3.934 6.285 1.00 0.00 C ATOM 0 H LEU A 44 -22.833 -6.519 4.510 1.00 0.00 H new ATOM 0 HA LEU A 44 -20.980 -7.865 6.157 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -22.457 -5.229 6.227 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -21.571 -5.740 7.650 1.00 0.00 H new ATOM 0 HG LEU A 44 -19.518 -6.037 6.279 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -19.457 -5.176 3.955 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -20.583 -6.545 4.112 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -21.211 -4.882 4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -19.128 -3.604 5.824 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -20.881 -3.315 5.926 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -19.980 -3.840 7.368 1.00 0.00 H new ATOM 516 N LEU A 45 -24.052 -7.813 7.313 1.00 0.00 N ATOM 517 CA LEU A 45 -24.922 -8.469 8.286 1.00 0.00 C ATOM 518 C LEU A 45 -24.854 -9.982 8.119 1.00 0.00 C ATOM 519 O LEU A 45 -24.920 -10.721 9.093 1.00 0.00 O ATOM 520 CB LEU A 45 -26.372 -8.005 8.118 1.00 0.00 C ATOM 521 CG LEU A 45 -26.515 -6.540 8.548 1.00 0.00 C ATOM 522 CD1 LEU A 45 -27.894 -6.012 8.136 1.00 0.00 C ATOM 523 CD2 LEU A 45 -26.351 -6.425 10.068 1.00 0.00 C ATOM 0 H LEU A 45 -24.539 -7.217 6.644 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.577 -8.197 9.284 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -26.679 -8.118 7.078 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -27.033 -8.633 8.715 1.00 0.00 H new ATOM 0 HG LEU A 45 -25.742 -5.947 8.059 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -27.992 -4.971 8.443 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -28.002 -6.083 7.054 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -28.670 -6.607 8.618 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -26.454 -5.382 10.367 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -27.117 -7.021 10.563 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -25.365 -6.790 10.356 1.00 0.00 H new ATOM 535 N VAL A 46 -24.845 -10.437 6.871 1.00 0.00 N ATOM 536 CA VAL A 46 -24.661 -11.855 6.590 1.00 0.00 C ATOM 537 C VAL A 46 -23.294 -12.315 7.089 1.00 0.00 C ATOM 538 O VAL A 46 -23.173 -13.391 7.671 1.00 0.00 O ATOM 539 CB VAL A 46 -24.797 -12.092 5.082 1.00 0.00 C ATOM 540 CG1 VAL A 46 -24.401 -13.530 4.738 1.00 0.00 C ATOM 541 CG2 VAL A 46 -26.250 -11.857 4.656 1.00 0.00 C ATOM 0 H VAL A 46 -24.962 -9.850 6.045 1.00 0.00 H new ATOM 0 HA VAL A 46 -25.424 -12.434 7.110 1.00 0.00 H new ATOM 0 HB VAL A 46 -24.139 -11.401 4.555 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -24.501 -13.688 3.664 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -23.367 -13.704 5.035 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -25.053 -14.224 5.269 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -26.347 -12.026 3.583 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -26.902 -12.547 5.192 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -26.536 -10.831 4.889 1.00 0.00 H new ATOM 551 N GLN A 47 -22.262 -11.522 6.812 1.00 0.00 N ATOM 552 CA GLN A 47 -20.888 -11.925 7.087 1.00 0.00 C ATOM 553 C GLN A 47 -20.639 -12.115 8.584 1.00 0.00 C ATOM 554 O GLN A 47 -19.930 -13.041 8.980 1.00 0.00 O ATOM 555 CB GLN A 47 -19.987 -10.810 6.548 1.00 0.00 C ATOM 556 CG GLN A 47 -18.503 -11.158 6.711 1.00 0.00 C ATOM 557 CD GLN A 47 -17.641 -9.999 6.208 1.00 0.00 C ATOM 558 OE1 GLN A 47 -17.934 -8.842 6.502 1.00 0.00 O ATOM 559 NE2 GLN A 47 -16.534 -10.233 5.555 1.00 0.00 N ATOM 0 H GLN A 47 -22.353 -10.595 6.396 1.00 0.00 H new ATOM 0 HA GLN A 47 -20.680 -12.883 6.610 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -20.208 -10.640 5.494 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -20.203 -9.880 7.074 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -18.281 -11.361 7.759 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -18.269 -12.065 6.154 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -16.281 -11.189 5.306 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -15.922 -9.459 5.294 1.00 0.00 H new ATOM 568 N GLN A 48 -21.113 -11.180 9.409 1.00 0.00 N ATOM 569 CA GLN A 48 -20.984 -11.305 10.862 1.00 0.00 C ATOM 570 C GLN A 48 -21.813 -12.465 11.417 1.00 0.00 C ATOM 571 O GLN A 48 -21.331 -13.243 12.238 1.00 0.00 O ATOM 572 CB GLN A 48 -21.374 -9.975 11.522 1.00 0.00 C ATOM 573 CG GLN A 48 -22.863 -9.681 11.309 1.00 0.00 C ATOM 574 CD GLN A 48 -23.254 -8.330 11.906 1.00 0.00 C ATOM 575 OE1 GLN A 48 -22.390 -7.496 12.189 1.00 0.00 O ATOM 576 NE2 GLN A 48 -24.489 -8.142 12.291 1.00 0.00 N ATOM 0 H GLN A 48 -21.587 -10.332 9.098 1.00 0.00 H new ATOM 0 HA GLN A 48 -19.944 -11.533 11.097 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -21.155 -10.015 12.589 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -20.775 -9.166 11.104 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -23.088 -9.688 10.243 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -23.460 -10.470 11.766 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -25.206 -8.829 12.059 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -24.736 -7.308 12.824 1.00 0.00 H new ATOM 585 N LYS A 49 -23.032 -12.618 10.904 1.00 0.00 N ATOM 586 CA LYS A 49 -23.926 -13.694 11.321 1.00 0.00 C ATOM 587 C LYS A 49 -23.349 -15.063 10.969 1.00 0.00 C ATOM 588 O LYS A 49 -23.296 -15.954 11.817 1.00 0.00 O ATOM 589 CB LYS A 49 -25.304 -13.488 10.690 1.00 0.00 C ATOM 590 CG LYS A 49 -25.952 -12.239 11.303 1.00 0.00 C ATOM 591 CD LYS A 49 -27.319 -11.972 10.663 1.00 0.00 C ATOM 592 CE LYS A 49 -27.942 -10.717 11.284 1.00 0.00 C ATOM 593 NZ LYS A 49 -29.261 -10.431 10.654 1.00 0.00 N ATOM 0 H LYS A 49 -23.425 -12.003 10.192 1.00 0.00 H new ATOM 0 HA LYS A 49 -24.030 -13.665 12.406 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -25.210 -13.372 9.610 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -25.932 -14.362 10.863 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -26.068 -12.373 12.378 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -25.302 -11.377 11.158 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -27.208 -11.841 9.587 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -27.976 -12.829 10.814 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -28.067 -10.857 12.358 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -27.274 -9.866 11.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -29.673 -9.578 11.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -29.132 -10.277 9.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -29.900 -11.238 10.805 1.00 0.00 H new ATOM 607 N ALA A 50 -22.766 -15.171 9.777 1.00 0.00 N ATOM 608 CA ALA A 50 -22.089 -16.395 9.366 1.00 0.00 C ATOM 609 C ALA A 50 -20.787 -16.586 10.141 1.00 0.00 C ATOM 610 O ALA A 50 -20.161 -17.643 10.051 1.00 0.00 O ATOM 611 CB ALA A 50 -21.811 -16.330 7.864 1.00 0.00 C ATOM 0 H ALA A 50 -22.750 -14.426 9.081 1.00 0.00 H new ATOM 0 HA ALA A 50 -22.731 -17.248 9.584 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -21.305 -17.242 7.548 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -22.753 -16.232 7.324 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -21.177 -15.470 7.648 1.00 0.00 H new ATOM 617 N LYS A 51 -20.352 -15.532 10.831 1.00 0.00 N ATOM 618 CA LYS A 51 -19.145 -15.588 11.648 1.00 0.00 C ATOM 619 C LYS A 51 -17.948 -16.018 10.807 1.00 0.00 C ATOM 620 O LYS A 51 -17.102 -16.781 11.268 1.00 0.00 O ATOM 621 CB LYS A 51 -19.356 -16.533 12.840 1.00 0.00 C ATOM 622 CG LYS A 51 -18.720 -15.918 14.094 1.00 0.00 C ATOM 623 CD LYS A 51 -19.060 -16.760 15.329 1.00 0.00 C ATOM 624 CE LYS A 51 -18.471 -16.106 16.583 1.00 0.00 C ATOM 625 NZ LYS A 51 -16.985 -16.161 16.512 1.00 0.00 N ATOM 0 H LYS A 51 -20.821 -14.626 10.839 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.936 -14.591 12.037 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.421 -16.699 13.003 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -18.910 -17.505 12.631 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -17.639 -15.860 13.971 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -19.080 -14.898 14.230 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -20.141 -16.853 15.430 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -18.663 -17.768 15.213 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -18.805 -15.071 16.659 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -18.824 -16.622 17.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.586 -15.992 17.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -16.688 -17.099 16.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -16.642 -15.431 15.855 1.00 0.00 H new ATOM 639 N VAL A 52 -17.705 -15.246 9.754 1.00 0.00 N ATOM 640 CA VAL A 52 -16.528 -15.464 8.919 1.00 0.00 C ATOM 641 C VAL A 52 -15.640 -14.222 8.916 1.00 0.00 C ATOM 642 O VAL A 52 -16.148 -13.103 8.930 1.00 0.00 O ATOM 643 CB VAL A 52 -16.945 -15.813 7.485 1.00 0.00 C ATOM 644 CG1 VAL A 52 -17.546 -17.222 7.461 1.00 0.00 C ATOM 645 CG2 VAL A 52 -17.983 -14.806 6.977 1.00 0.00 C ATOM 0 H VAL A 52 -18.300 -14.471 9.460 1.00 0.00 H new ATOM 0 HA VAL A 52 -15.964 -16.299 9.334 1.00 0.00 H new ATOM 0 HB VAL A 52 -16.068 -15.774 6.839 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -17.844 -17.473 6.443 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -16.804 -17.940 7.810 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -18.419 -17.256 8.113 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -18.272 -15.064 5.958 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -18.862 -14.833 7.621 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -17.555 -13.804 6.990 1.00 0.00 H new ATOM 655 N LYS A 53 -14.345 -14.425 9.139 1.00 0.00 N ATOM 656 CA LYS A 53 -13.404 -13.314 9.152 1.00 0.00 C ATOM 657 C LYS A 53 -12.493 -13.370 7.931 1.00 0.00 C ATOM 658 O LYS A 53 -11.758 -14.341 7.738 1.00 0.00 O ATOM 659 CB LYS A 53 -12.562 -13.373 10.431 1.00 0.00 C ATOM 660 CG LYS A 53 -13.445 -13.105 11.655 1.00 0.00 C ATOM 661 CD LYS A 53 -12.603 -13.177 12.933 1.00 0.00 C ATOM 662 CE LYS A 53 -13.494 -12.916 14.152 1.00 0.00 C ATOM 663 NZ LYS A 53 -12.681 -13.003 15.396 1.00 0.00 N ATOM 0 H LYS A 53 -13.928 -15.340 9.311 1.00 0.00 H new ATOM 0 HA LYS A 53 -13.963 -12.379 9.124 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.090 -14.352 10.520 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.761 -12.636 10.383 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.910 -12.123 11.571 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -14.252 -13.837 11.699 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.134 -14.157 13.016 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.800 -12.441 12.893 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.953 -11.930 14.074 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.305 -13.644 14.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.289 -12.825 16.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.263 -13.952 15.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.922 -12.292 15.365 1.00 0.00 H new ATOM 677 N ILE A 54 -12.314 -12.195 7.335 1.00 0.00 N ATOM 678 CA ILE A 54 -11.455 -12.026 6.167 1.00 0.00 C ATOM 679 C ILE A 54 -10.803 -10.645 6.205 1.00 0.00 C ATOM 680 O ILE A 54 -11.523 -9.642 6.194 1.00 0.00 O ATOM 681 CB ILE A 54 -12.280 -12.187 4.884 1.00 0.00 C ATOM 682 CG1 ILE A 54 -13.584 -11.374 4.988 1.00 0.00 C ATOM 683 CG2 ILE A 54 -12.566 -13.679 4.679 1.00 0.00 C ATOM 684 CD1 ILE A 54 -14.661 -11.916 4.043 1.00 0.00 C ATOM 0 H ILE A 54 -12.760 -11.333 7.648 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.675 -12.788 6.180 1.00 0.00 H new ATOM 0 HB ILE A 54 -11.727 -11.807 4.025 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -13.951 -11.403 6.014 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -13.383 -10.329 4.751 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -13.153 -13.816 3.771 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -11.625 -14.221 4.588 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.125 -14.063 5.533 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -15.567 -11.318 4.143 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -14.303 -11.863 3.015 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -14.880 -12.953 4.298 1.00 0.00 H new ATOM 696 N PRO A 55 -9.491 -10.541 6.478 1.00 0.00 N ATOM 697 CA PRO A 55 -8.864 -9.209 6.711 1.00 0.00 C ATOM 698 C PRO A 55 -9.083 -8.225 5.560 1.00 0.00 C ATOM 699 O PRO A 55 -9.057 -7.018 5.790 1.00 0.00 O ATOM 700 CB PRO A 55 -7.379 -9.544 6.879 1.00 0.00 C ATOM 701 CG PRO A 55 -7.339 -10.952 7.370 1.00 0.00 C ATOM 702 CD PRO A 55 -8.562 -11.647 6.774 1.00 0.00 C ATOM 0 HA PRO A 55 -9.301 -8.703 7.572 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -6.845 -9.443 5.934 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.902 -8.868 7.589 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.419 -11.447 7.058 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.365 -10.985 8.459 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.305 -12.204 5.873 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.998 -12.358 7.475 1.00 0.00 H new ATOM 710 N ARG A 56 -9.001 -8.727 4.328 1.00 0.00 N ATOM 711 CA ARG A 56 -9.026 -7.862 3.151 1.00 0.00 C ATOM 712 C ARG A 56 -10.350 -7.899 2.373 1.00 0.00 C ATOM 713 O ARG A 56 -10.643 -6.935 1.666 1.00 0.00 O ATOM 714 CB ARG A 56 -7.775 -8.121 2.301 1.00 0.00 C ATOM 715 CG ARG A 56 -7.711 -7.167 1.104 1.00 0.00 C ATOM 716 CD ARG A 56 -6.358 -7.331 0.399 1.00 0.00 C ATOM 717 NE ARG A 56 -6.217 -8.669 -0.169 1.00 0.00 N ATOM 718 CZ ARG A 56 -5.064 -9.092 -0.694 1.00 0.00 C ATOM 719 NH1 ARG A 56 -3.999 -8.345 -0.623 1.00 0.00 N ATOM 720 NH2 ARG A 56 -4.922 -10.344 -1.040 1.00 0.00 N ATOM 0 H ARG A 56 -8.917 -9.722 4.121 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.987 -6.826 3.487 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.883 -7.998 2.915 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.779 -9.152 1.948 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.524 -7.380 0.410 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.838 -6.137 1.437 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.264 -6.586 -0.391 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.551 -7.147 1.108 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.021 -9.297 -0.165 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.044 -7.434 -0.166 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.120 -8.671 -1.025 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.692 -11.000 -0.909 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.041 -10.666 -1.441 1.00 0.00 H new ATOM 734 N LYS A 57 -11.061 -9.030 2.340 1.00 0.00 N ATOM 735 CA LYS A 57 -12.049 -9.259 1.282 1.00 0.00 C ATOM 736 C LYS A 57 -13.194 -8.244 1.288 1.00 0.00 C ATOM 737 O LYS A 57 -13.702 -7.889 0.228 1.00 0.00 O ATOM 738 CB LYS A 57 -12.710 -10.620 1.508 1.00 0.00 C ATOM 739 CG LYS A 57 -13.717 -10.901 0.384 1.00 0.00 C ATOM 740 CD LYS A 57 -14.414 -12.251 0.613 1.00 0.00 C ATOM 741 CE LYS A 57 -15.409 -12.545 -0.514 1.00 0.00 C ATOM 742 NZ LYS A 57 -16.099 -13.843 -0.268 1.00 0.00 N ATOM 0 H LYS A 57 -10.974 -9.787 3.018 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.504 -9.184 0.341 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.952 -11.403 1.534 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.216 -10.633 2.474 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.459 -10.104 0.345 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.205 -10.908 -0.578 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.670 -13.046 0.664 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.935 -12.239 1.571 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.143 -11.742 -0.579 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.887 -12.578 -1.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.813 -14.531 -0.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.838 -14.202 0.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.129 -13.703 -0.312 1.00 0.00 H new ATOM 756 N TRP A 58 -13.788 -8.009 2.460 1.00 0.00 N ATOM 757 CA TRP A 58 -14.819 -6.977 2.604 1.00 0.00 C ATOM 758 C TRP A 58 -14.343 -5.828 3.486 1.00 0.00 C ATOM 759 O TRP A 58 -14.447 -4.680 3.072 1.00 0.00 O ATOM 760 CB TRP A 58 -16.120 -7.576 3.156 1.00 0.00 C ATOM 761 CG TRP A 58 -17.086 -7.789 2.033 1.00 0.00 C ATOM 762 CD1 TRP A 58 -17.411 -8.988 1.495 1.00 0.00 C ATOM 763 CD2 TRP A 58 -17.630 -6.789 1.123 1.00 0.00 C ATOM 764 NE1 TRP A 58 -18.334 -8.793 0.486 1.00 0.00 N ATOM 765 CE2 TRP A 58 -18.428 -7.454 0.159 1.00 0.00 C ATOM 766 CE3 TRP A 58 -17.331 -5.436 0.895 1.00 0.00 C ATOM 767 CZ2 TRP A 58 -19.077 -6.744 -0.857 1.00 0.00 C ATOM 768 CZ3 TRP A 58 -18.067 -4.704 -0.046 1.00 0.00 C ATOM 769 CH2 TRP A 58 -18.907 -5.361 -0.949 1.00 0.00 C ATOM 0 H TRP A 58 -13.575 -8.516 3.319 1.00 0.00 H new ATOM 0 HA TRP A 58 -15.018 -6.574 1.611 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -15.914 -8.522 3.657 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -16.553 -6.908 3.901 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -17.013 -9.943 1.805 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -18.873 -9.537 0.043 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -16.533 -4.959 1.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -19.706 -7.262 -1.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -17.985 -3.627 -0.074 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -19.423 -4.801 -1.715 1.00 0.00 H new ATOM 780 N LYS A 59 -13.463 -6.178 4.418 1.00 0.00 N ATOM 781 CA LYS A 59 -13.031 -5.257 5.461 1.00 0.00 C ATOM 782 C LYS A 59 -12.314 -4.067 4.830 1.00 0.00 C ATOM 783 O LYS A 59 -12.309 -2.963 5.382 1.00 0.00 O ATOM 784 CB LYS A 59 -12.125 -6.009 6.439 1.00 0.00 C ATOM 785 CG LYS A 59 -11.742 -5.122 7.628 1.00 0.00 C ATOM 786 CD LYS A 59 -10.886 -5.933 8.611 1.00 0.00 C ATOM 787 CE LYS A 59 -10.502 -5.076 9.821 1.00 0.00 C ATOM 788 NZ LYS A 59 -9.686 -5.882 10.771 1.00 0.00 N ATOM 0 H LYS A 59 -13.032 -7.101 4.471 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.889 -4.872 6.011 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -12.635 -6.903 6.798 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.224 -6.341 5.923 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.190 -4.249 7.282 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.639 -4.755 8.126 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.437 -6.813 8.942 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.986 -6.290 8.110 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.939 -4.201 9.495 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.400 -4.710 10.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.428 -5.296 11.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.238 -6.703 11.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.822 -6.210 10.294 1.00 0.00 H new ATOM 802 N ARG A 60 -11.520 -4.374 3.808 1.00 0.00 N ATOM 803 CA ARG A 60 -10.725 -3.375 3.102 1.00 0.00 C ATOM 804 C ARG A 60 -11.462 -2.822 1.884 1.00 0.00 C ATOM 805 O ARG A 60 -10.888 -2.058 1.118 1.00 0.00 O ATOM 806 CB ARG A 60 -9.401 -4.025 2.673 1.00 0.00 C ATOM 807 CG ARG A 60 -8.591 -4.454 3.903 1.00 0.00 C ATOM 808 CD ARG A 60 -8.117 -3.211 4.660 1.00 0.00 C ATOM 809 NE ARG A 60 -7.298 -3.581 5.812 1.00 0.00 N ATOM 810 CZ ARG A 60 -7.331 -2.874 6.940 1.00 0.00 C ATOM 811 NH1 ARG A 60 -7.814 -1.658 6.920 1.00 0.00 N ATOM 812 NH2 ARG A 60 -6.539 -3.213 7.919 1.00 0.00 N ATOM 0 H ARG A 60 -11.410 -5.321 3.447 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.538 -2.534 3.770 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.602 -4.891 2.042 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.821 -3.322 2.075 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.202 -5.079 4.554 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.735 -5.055 3.597 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.542 -2.571 3.991 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.979 -2.633 4.993 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.689 -4.397 5.751 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -8.160 -1.261 6.047 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.844 -1.107 7.778 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.908 -4.008 7.813 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.550 -2.683 8.791 1.00 0.00 H new ATOM 826 N ARG A 61 -12.676 -3.312 1.638 1.00 0.00 N ATOM 827 CA ARG A 61 -13.422 -2.949 0.435 1.00 0.00 C ATOM 828 C ARG A 61 -14.729 -2.214 0.746 1.00 0.00 C ATOM 829 O ARG A 61 -15.671 -2.328 -0.028 1.00 0.00 O ATOM 830 CB ARG A 61 -13.679 -4.168 -0.467 1.00 0.00 C ATOM 831 CG ARG A 61 -12.347 -4.649 -1.059 1.00 0.00 C ATOM 832 CD ARG A 61 -12.572 -5.861 -1.973 1.00 0.00 C ATOM 833 NE ARG A 61 -11.298 -6.339 -2.510 1.00 0.00 N ATOM 834 CZ ARG A 61 -10.770 -5.866 -3.640 1.00 0.00 C ATOM 835 NH1 ARG A 61 -11.391 -4.961 -4.346 1.00 0.00 N ATOM 836 NH2 ARG A 61 -9.610 -6.308 -4.038 1.00 0.00 N ATOM 0 H ARG A 61 -13.163 -3.961 2.256 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.788 -2.251 -0.112 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.145 -4.968 0.108 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.372 -3.904 -1.266 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.881 -3.842 -1.624 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.660 -4.914 -0.256 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.061 -6.659 -1.415 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.239 -5.589 -2.791 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.793 -7.063 -2.000 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.295 -4.604 -4.036 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.972 -4.611 -5.208 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.115 -7.009 -3.487 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.198 -5.953 -4.901 1.00 0.00 H new ATOM 850 N TYR A 62 -14.876 -1.628 1.937 1.00 0.00 N ATOM 851 CA TYR A 62 -16.121 -0.921 2.267 1.00 0.00 C ATOM 852 C TYR A 62 -15.913 0.374 3.051 1.00 0.00 C ATOM 853 O TYR A 62 -14.791 0.717 3.424 1.00 0.00 O ATOM 854 CB TYR A 62 -17.097 -1.817 3.048 1.00 0.00 C ATOM 855 CG TYR A 62 -16.473 -2.373 4.315 1.00 0.00 C ATOM 856 CD1 TYR A 62 -16.398 -1.543 5.450 1.00 0.00 C ATOM 857 CD2 TYR A 62 -16.584 -3.756 4.538 1.00 0.00 C ATOM 858 CE1 TYR A 62 -15.981 -2.075 6.676 1.00 0.00 C ATOM 859 CE2 TYR A 62 -16.505 -4.274 5.840 1.00 0.00 C ATOM 860 CZ TYR A 62 -16.088 -3.451 6.891 1.00 0.00 C ATOM 861 OH TYR A 62 -15.612 -4.009 8.059 1.00 0.00 O ATOM 0 H TYR A 62 -14.170 -1.626 2.673 1.00 0.00 H new ATOM 0 HA TYR A 62 -16.545 -0.658 1.298 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -17.988 -1.244 3.305 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -17.420 -2.641 2.412 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -16.662 -0.498 5.375 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -16.731 -4.424 3.702 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -15.582 -1.430 7.445 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -16.765 -5.305 6.030 1.00 0.00 H new ATOM 0 HH TYR A 62 -15.767 -4.977 8.046 1.00 0.00 H new ATOM 871 N CYS A 63 -16.946 1.217 2.984 1.00 0.00 N ATOM 872 CA CYS A 63 -16.973 2.487 3.707 1.00 0.00 C ATOM 873 C CYS A 63 -17.289 2.274 5.182 1.00 0.00 C ATOM 874 O CYS A 63 -18.166 1.478 5.517 1.00 0.00 O ATOM 875 CB CYS A 63 -18.049 3.412 3.123 1.00 0.00 C ATOM 876 SG CYS A 63 -17.557 5.143 3.339 1.00 0.00 S ATOM 0 H CYS A 63 -17.783 1.038 2.429 1.00 0.00 H new ATOM 0 HA CYS A 63 -15.986 2.937 3.604 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -18.192 3.195 2.064 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -19.004 3.232 3.617 1.00 0.00 H new ATOM 0 HG CYS A 63 -17.987 5.845 2.333 1.00 0.00 H new ATOM 881 N LYS A 64 -16.627 3.035 6.050 1.00 0.00 N ATOM 882 CA LYS A 64 -16.838 2.878 7.485 1.00 0.00 C ATOM 883 C LYS A 64 -18.269 3.217 7.911 1.00 0.00 C ATOM 884 O LYS A 64 -18.841 2.500 8.737 1.00 0.00 O ATOM 885 CB LYS A 64 -15.885 3.832 8.216 1.00 0.00 C ATOM 886 CG LYS A 64 -14.418 3.422 8.048 1.00 0.00 C ATOM 887 CD LYS A 64 -13.527 4.426 8.788 1.00 0.00 C ATOM 888 CE LYS A 64 -12.059 4.025 8.642 1.00 0.00 C ATOM 889 NZ LYS A 64 -11.217 5.019 9.362 1.00 0.00 N ATOM 0 H LYS A 64 -15.952 3.754 5.791 1.00 0.00 H new ATOM 0 HA LYS A 64 -16.653 1.834 7.736 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -16.024 4.844 7.836 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -16.136 3.852 9.276 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.261 2.418 8.443 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.154 3.394 6.991 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.681 5.427 8.386 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.801 4.460 9.843 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.898 3.027 9.050 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.781 3.987 7.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.215 4.757 9.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.367 5.963 8.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.480 5.033 10.368 1.00 0.00 H new ATOM 903 N LYS A 65 -18.866 4.279 7.365 1.00 0.00 N ATOM 904 CA LYS A 65 -20.280 4.537 7.624 1.00 0.00 C ATOM 905 C LYS A 65 -21.194 3.740 6.703 1.00 0.00 C ATOM 906 O LYS A 65 -22.084 3.026 7.163 1.00 0.00 O ATOM 907 CB LYS A 65 -20.582 6.033 7.532 1.00 0.00 C ATOM 908 CG LYS A 65 -22.040 6.251 7.955 1.00 0.00 C ATOM 909 CD LYS A 65 -22.387 7.744 7.961 1.00 0.00 C ATOM 910 CE LYS A 65 -23.839 7.922 8.415 1.00 0.00 C ATOM 911 NZ LYS A 65 -24.186 9.368 8.438 1.00 0.00 N ATOM 0 H LYS A 65 -18.406 4.956 6.757 1.00 0.00 H new ATOM 0 HA LYS A 65 -20.486 4.201 8.640 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -19.910 6.598 8.178 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -20.423 6.392 6.515 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -22.705 5.721 7.273 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -22.202 5.831 8.948 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -21.716 8.283 8.630 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -22.251 8.165 6.965 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -24.509 7.389 7.740 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -23.975 7.490 9.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -25.172 9.483 8.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -23.556 9.866 9.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -24.073 9.767 7.484 1.00 0.00 H new ATOM 925 N CYS A 66 -20.890 3.791 5.410 1.00 0.00 N ATOM 926 CA CYS A 66 -21.874 3.393 4.412 1.00 0.00 C ATOM 927 C CYS A 66 -22.012 1.885 4.344 1.00 0.00 C ATOM 928 O CYS A 66 -23.007 1.397 3.814 1.00 0.00 O ATOM 929 CB CYS A 66 -21.533 3.939 3.026 1.00 0.00 C ATOM 930 SG CYS A 66 -21.340 5.728 3.196 1.00 0.00 S ATOM 0 H CYS A 66 -19.992 4.097 5.035 1.00 0.00 H new ATOM 0 HA CYS A 66 -22.825 3.822 4.726 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -20.616 3.486 2.648 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -22.323 3.702 2.313 1.00 0.00 H new ATOM 0 HG CYS A 66 -20.075 6.025 3.247 1.00 0.00 H new ATOM 935 N HIS A 67 -20.875 1.213 4.498 1.00 0.00 N ATOM 936 CA HIS A 67 -20.832 -0.233 4.351 1.00 0.00 C ATOM 937 C HIS A 67 -21.166 -0.565 2.900 1.00 0.00 C ATOM 938 O HIS A 67 -22.320 -0.912 2.625 1.00 0.00 O ATOM 939 CB HIS A 67 -21.806 -0.897 5.325 1.00 0.00 C ATOM 940 CG HIS A 67 -21.374 -0.610 6.742 1.00 0.00 C ATOM 941 ND1 HIS A 67 -20.199 -1.114 7.276 1.00 0.00 N ATOM 942 CD2 HIS A 67 -21.928 0.155 7.746 1.00 0.00 C ATOM 943 CE1 HIS A 67 -19.976 -0.485 8.443 1.00 0.00 C ATOM 944 NE2 HIS A 67 -21.008 0.288 8.786 1.00 0.00 N ATOM 0 H HIS A 67 -19.979 1.645 4.723 1.00 0.00 H new ATOM 0 HA HIS A 67 -19.840 -0.617 4.590 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -22.816 -0.522 5.158 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -21.833 -1.973 5.152 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -22.919 0.584 7.730 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -19.075 -0.592 9.029 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -21.104 0.855 9.629 1.00 0.00 H new ATOM 953 N ALA A 68 -20.441 0.151 2.049 1.00 0.00 N ATOM 954 CA ALA A 68 -20.607 0.079 0.602 1.00 0.00 C ATOM 955 C ALA A 68 -19.246 -0.133 -0.043 1.00 0.00 C ATOM 956 O ALA A 68 -18.284 0.522 0.361 1.00 0.00 O ATOM 957 CB ALA A 68 -21.236 1.366 0.058 1.00 0.00 C ATOM 0 H ALA A 68 -19.715 0.803 2.346 1.00 0.00 H new ATOM 0 HA ALA A 68 -21.271 -0.753 0.366 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -21.349 1.287 -1.023 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -22.214 1.514 0.515 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -20.593 2.214 0.294 1.00 0.00 H new ATOM 963 N PHE A 69 -19.247 -0.761 -1.218 1.00 0.00 N ATOM 964 CA PHE A 69 -18.003 -1.269 -1.794 1.00 0.00 C ATOM 965 C PHE A 69 -17.104 -0.075 -2.093 1.00 0.00 C ATOM 966 O PHE A 69 -17.625 0.980 -2.433 1.00 0.00 O ATOM 967 CB PHE A 69 -18.275 -2.025 -3.105 1.00 0.00 C ATOM 968 CG PHE A 69 -17.199 -3.061 -3.358 1.00 0.00 C ATOM 969 CD1 PHE A 69 -15.926 -2.634 -3.772 1.00 0.00 C ATOM 970 CD2 PHE A 69 -17.608 -4.354 -3.706 1.00 0.00 C ATOM 971 CE1 PHE A 69 -14.972 -3.576 -4.177 1.00 0.00 C ATOM 972 CE2 PHE A 69 -16.668 -5.294 -4.141 1.00 0.00 C ATOM 973 CZ PHE A 69 -15.368 -4.887 -4.447 1.00 0.00 C ATOM 0 H PHE A 69 -20.080 -0.928 -1.782 1.00 0.00 H new ATOM 0 HA PHE A 69 -17.532 -1.956 -1.090 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -19.250 -2.510 -3.055 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -18.311 -1.321 -3.936 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -15.684 -1.582 -3.778 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -18.651 -4.626 -3.638 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.936 -3.290 -4.280 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -16.947 -6.333 -4.240 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.672 -5.583 -4.891 1.00 0.00 H new ATOM 983 N LEU A 70 -15.850 -0.106 -1.644 1.00 0.00 N ATOM 984 CA LEU A 70 -15.060 1.119 -1.689 1.00 0.00 C ATOM 985 C LEU A 70 -14.077 0.981 -2.848 1.00 0.00 C ATOM 986 O LEU A 70 -13.005 0.397 -2.705 1.00 0.00 O ATOM 987 CB LEU A 70 -14.327 1.307 -0.350 1.00 0.00 C ATOM 988 CG LEU A 70 -14.005 2.779 -0.041 1.00 0.00 C ATOM 989 CD1 LEU A 70 -13.507 3.539 -1.273 1.00 0.00 C ATOM 990 CD2 LEU A 70 -15.256 3.465 0.515 1.00 0.00 C ATOM 0 H LEU A 70 -15.378 -0.926 -1.262 1.00 0.00 H new ATOM 0 HA LEU A 70 -15.688 1.996 -1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -14.940 0.899 0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.400 0.734 -0.366 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.202 2.793 0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.294 4.573 -1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.599 3.068 -1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.273 3.518 -2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -15.031 4.509 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -16.057 3.414 -0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -15.571 2.961 1.429 1.00 0.00 H new ATOM 1002 N VAL A 71 -14.470 1.543 -3.986 1.00 0.00 N ATOM 1003 CA VAL A 71 -13.594 1.664 -5.143 1.00 0.00 C ATOM 1004 C VAL A 71 -13.758 3.065 -5.723 1.00 0.00 C ATOM 1005 O VAL A 71 -14.882 3.519 -5.923 1.00 0.00 O ATOM 1006 CB VAL A 71 -13.957 0.575 -6.159 1.00 0.00 C ATOM 1007 CG1 VAL A 71 -13.411 0.905 -7.552 1.00 0.00 C ATOM 1008 CG2 VAL A 71 -13.379 -0.764 -5.689 1.00 0.00 C ATOM 0 H VAL A 71 -15.404 1.927 -4.131 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.548 1.526 -4.868 1.00 0.00 H new ATOM 0 HB VAL A 71 -15.043 0.517 -6.227 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.686 0.112 -8.248 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.833 1.850 -7.893 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.325 0.987 -7.507 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.634 -1.543 -6.408 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.295 -0.684 -5.610 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.796 -1.019 -4.715 1.00 0.00 H new ATOM 1018 N PRO A 72 -12.660 3.767 -6.027 1.00 0.00 N ATOM 1019 CA PRO A 72 -12.754 5.090 -6.698 1.00 0.00 C ATOM 1020 C PRO A 72 -13.401 4.990 -8.075 1.00 0.00 C ATOM 1021 O PRO A 72 -13.005 4.172 -8.904 1.00 0.00 O ATOM 1022 CB PRO A 72 -11.310 5.583 -6.784 1.00 0.00 C ATOM 1023 CG PRO A 72 -10.538 4.757 -5.809 1.00 0.00 C ATOM 1024 CD PRO A 72 -11.271 3.422 -5.693 1.00 0.00 C ATOM 0 HA PRO A 72 -13.390 5.780 -6.144 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.916 5.465 -7.794 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.243 6.643 -6.537 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.514 4.608 -6.152 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.481 5.253 -4.840 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -10.865 2.679 -6.380 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.191 3.005 -4.689 1.00 0.00 H new ATOM 1032 N GLY A 73 -14.158 6.033 -8.390 1.00 0.00 N ATOM 1033 CA GLY A 73 -14.744 6.204 -9.714 1.00 0.00 C ATOM 1034 C GLY A 73 -16.206 5.763 -9.748 1.00 0.00 C ATOM 1035 O GLY A 73 -16.904 6.066 -10.719 1.00 0.00 O ATOM 0 H GLY A 73 -14.383 6.783 -7.737 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.673 7.250 -10.011 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.173 5.627 -10.442 1.00 0.00 H new ATOM 1039 N ILE A 74 -16.616 4.956 -8.767 1.00 0.00 N ATOM 1040 CA ILE A 74 -17.906 4.274 -8.836 1.00 0.00 C ATOM 1041 C ILE A 74 -18.906 4.801 -7.803 1.00 0.00 C ATOM 1042 O ILE A 74 -19.752 5.623 -8.157 1.00 0.00 O ATOM 1043 CB ILE A 74 -17.707 2.761 -8.693 1.00 0.00 C ATOM 1044 CG1 ILE A 74 -16.915 2.236 -9.901 1.00 0.00 C ATOM 1045 CG2 ILE A 74 -19.078 2.077 -8.617 1.00 0.00 C ATOM 1046 CD1 ILE A 74 -16.466 0.792 -9.661 1.00 0.00 C ATOM 0 H ILE A 74 -16.077 4.761 -7.923 1.00 0.00 H new ATOM 0 HA ILE A 74 -18.338 4.485 -9.814 1.00 0.00 H new ATOM 0 HB ILE A 74 -17.149 2.542 -7.782 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -17.532 2.287 -10.798 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -16.045 2.869 -10.076 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -18.942 1.000 -8.515 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -19.627 2.457 -7.755 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -19.640 2.287 -9.527 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -15.907 0.436 -10.526 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -15.831 0.751 -8.776 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -17.341 0.159 -9.509 1.00 0.00 H new ATOM 1058 N ASN A 75 -18.743 4.469 -6.519 1.00 0.00 N ATOM 1059 CA ASN A 75 -19.617 5.032 -5.491 1.00 0.00 C ATOM 1060 C ASN A 75 -18.884 6.139 -4.753 1.00 0.00 C ATOM 1061 O ASN A 75 -19.425 6.795 -3.864 1.00 0.00 O ATOM 1062 CB ASN A 75 -19.999 3.944 -4.492 1.00 0.00 C ATOM 1063 CG ASN A 75 -18.825 3.487 -3.629 1.00 0.00 C ATOM 1064 OD1 ASN A 75 -17.659 3.684 -3.962 1.00 0.00 O ATOM 1065 ND2 ASN A 75 -19.096 3.178 -2.390 1.00 0.00 N ATOM 0 H ASN A 75 -18.030 3.827 -6.173 1.00 0.00 H new ATOM 0 HA ASN A 75 -20.514 5.431 -5.964 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -20.795 4.315 -3.846 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -20.401 3.087 -5.033 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -18.342 3.102 -1.707 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -20.061 3.013 -2.105 1.00 0.00 H new ATOM 1072 N ALA A 76 -17.647 6.316 -5.192 1.00 0.00 N ATOM 1073 CA ALA A 76 -16.688 7.154 -4.497 1.00 0.00 C ATOM 1074 C ALA A 76 -15.679 7.662 -5.514 1.00 0.00 C ATOM 1075 O ALA A 76 -15.469 7.011 -6.530 1.00 0.00 O ATOM 1076 CB ALA A 76 -16.000 6.401 -3.348 1.00 0.00 C ATOM 0 H ALA A 76 -17.282 5.882 -6.040 1.00 0.00 H new ATOM 0 HA ALA A 76 -17.205 7.996 -4.037 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -15.290 7.063 -2.853 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -16.750 6.071 -2.629 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -15.472 5.534 -3.746 1.00 0.00 H new ATOM 1082 N ARG A 77 -15.077 8.819 -5.270 1.00 0.00 N ATOM 1083 CA ARG A 77 -14.101 9.344 -6.212 1.00 0.00 C ATOM 1084 C ARG A 77 -12.831 9.735 -5.469 1.00 0.00 C ATOM 1085 O ARG A 77 -12.893 10.284 -4.374 1.00 0.00 O ATOM 1086 CB ARG A 77 -14.687 10.532 -6.982 1.00 0.00 C ATOM 1087 CG ARG A 77 -13.810 10.862 -8.197 1.00 0.00 C ATOM 1088 CD ARG A 77 -14.416 12.029 -8.980 1.00 0.00 C ATOM 1089 NE ARG A 77 -14.378 13.247 -8.177 1.00 0.00 N ATOM 1090 CZ ARG A 77 -13.316 14.050 -8.189 1.00 0.00 C ATOM 1091 NH1 ARG A 77 -12.174 13.630 -8.660 1.00 0.00 N ATOM 1092 NH2 ARG A 77 -13.433 15.311 -7.871 1.00 0.00 N ATOM 0 H ARG A 77 -15.242 9.399 -4.448 1.00 0.00 H new ATOM 0 HA ARG A 77 -13.849 8.573 -6.940 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -15.700 10.298 -7.309 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -14.755 11.401 -6.327 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -12.802 11.118 -7.869 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -13.723 9.987 -8.841 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -13.865 12.179 -9.908 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -15.445 11.797 -9.254 1.00 0.00 H new ATOM 0 HE ARG A 77 -15.181 13.488 -7.595 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -12.090 12.680 -9.023 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -11.365 14.251 -8.666 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -14.344 15.689 -7.610 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -12.614 15.918 -7.883 1.00 0.00 H new ATOM 1106 N VAL A 78 -11.689 9.506 -6.107 1.00 0.00 N ATOM 1107 CA VAL A 78 -10.414 9.833 -5.487 1.00 0.00 C ATOM 1108 C VAL A 78 -9.629 10.778 -6.389 1.00 0.00 C ATOM 1109 O VAL A 78 -9.757 10.717 -7.611 1.00 0.00 O ATOM 1110 CB VAL A 78 -9.609 8.558 -5.208 1.00 0.00 C ATOM 1111 CG1 VAL A 78 -9.064 7.980 -6.517 1.00 0.00 C ATOM 1112 CG2 VAL A 78 -8.438 8.867 -4.264 1.00 0.00 C ATOM 0 H VAL A 78 -11.621 9.101 -7.041 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.600 10.330 -4.535 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.269 7.829 -4.738 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.494 7.075 -6.306 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.894 7.740 -7.182 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.416 8.713 -6.996 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.874 7.954 -4.073 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.785 9.608 -4.725 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.823 9.259 -3.323 1.00 0.00 H new ATOM 1122 N ARG A 79 -9.112 11.830 -5.762 1.00 0.00 N ATOM 1123 CA ARG A 79 -8.189 12.729 -6.430 1.00 0.00 C ATOM 1124 C ARG A 79 -6.809 12.542 -5.820 1.00 0.00 C ATOM 1125 O ARG A 79 -6.670 12.483 -4.600 1.00 0.00 O ATOM 1126 CB ARG A 79 -8.674 14.166 -6.244 1.00 0.00 C ATOM 1127 CG ARG A 79 -7.937 15.106 -7.198 1.00 0.00 C ATOM 1128 CD ARG A 79 -8.514 16.513 -7.012 1.00 0.00 C ATOM 1129 NE ARG A 79 -8.218 17.005 -5.669 1.00 0.00 N ATOM 1130 CZ ARG A 79 -8.704 18.160 -5.218 1.00 0.00 C ATOM 1131 NH1 ARG A 79 -9.259 19.006 -6.046 1.00 0.00 N ATOM 1132 NH2 ARG A 79 -8.822 18.354 -3.932 1.00 0.00 N ATOM 0 H ARG A 79 -9.319 12.077 -4.794 1.00 0.00 H new ATOM 0 HA ARG A 79 -8.139 12.514 -7.497 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.747 14.221 -6.427 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -8.510 14.481 -5.214 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.867 15.101 -6.988 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -8.060 14.776 -8.230 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -8.092 17.189 -7.756 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -9.592 16.496 -7.172 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.621 16.447 -5.058 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.320 18.782 -7.039 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -9.631 19.890 -5.699 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -8.542 17.623 -3.278 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -9.194 19.237 -3.581 1.00 0.00 H new ATOM 1146 N LEU A 80 -5.822 12.326 -6.681 1.00 0.00 N ATOM 1147 CA LEU A 80 -4.464 12.111 -6.210 1.00 0.00 C ATOM 1148 C LEU A 80 -3.666 13.374 -6.510 1.00 0.00 C ATOM 1149 O LEU A 80 -3.638 13.843 -7.646 1.00 0.00 O ATOM 1150 CB LEU A 80 -3.858 10.904 -6.936 1.00 0.00 C ATOM 1151 CG LEU A 80 -4.748 9.670 -6.742 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -5.956 9.726 -7.688 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -3.929 8.418 -7.064 1.00 0.00 C ATOM 0 H LEU A 80 -5.935 12.296 -7.694 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.447 11.907 -5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.754 11.124 -7.999 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.857 10.704 -6.553 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.103 9.645 -5.712 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.577 8.843 -7.538 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.541 10.621 -7.478 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.608 9.753 -8.721 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.550 7.532 -6.930 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.583 8.465 -8.096 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.070 8.363 -6.395 1.00 0.00 H new ATOM 1165 N ARG A 81 -3.087 13.955 -5.467 1.00 0.00 N ATOM 1166 CA ARG A 81 -2.349 15.199 -5.618 1.00 0.00 C ATOM 1167 C ARG A 81 -0.857 14.959 -5.443 1.00 0.00 C ATOM 1168 O ARG A 81 -0.435 14.307 -4.488 1.00 0.00 O ATOM 1169 CB ARG A 81 -2.850 16.255 -4.627 1.00 0.00 C ATOM 1170 CG ARG A 81 -4.304 16.602 -4.967 1.00 0.00 C ATOM 1171 CD ARG A 81 -4.865 17.594 -3.943 1.00 0.00 C ATOM 1172 NE ARG A 81 -4.141 18.858 -4.026 1.00 0.00 N ATOM 1173 CZ ARG A 81 -4.329 19.849 -3.155 1.00 0.00 C ATOM 1174 NH1 ARG A 81 -5.098 19.687 -2.115 1.00 0.00 N ATOM 1175 NH2 ARG A 81 -3.556 20.898 -3.214 1.00 0.00 N ATOM 0 H ARG A 81 -3.114 13.588 -4.516 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.519 15.576 -6.626 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.781 15.878 -3.607 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.227 17.148 -4.680 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.359 17.031 -5.967 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.909 15.696 -4.975 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.926 17.760 -4.129 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.778 17.181 -2.938 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.465 18.988 -4.779 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.565 18.793 -1.960 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.233 20.454 -1.456 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.821 20.951 -3.919 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.686 21.665 -2.555 1.00 0.00 H new ATOM 1189 N GLN A 82 -0.072 15.594 -6.306 1.00 0.00 N ATOM 1190 CA GLN A 82 1.375 15.458 -6.251 1.00 0.00 C ATOM 1191 C GLN A 82 2.017 16.811 -5.955 1.00 0.00 C ATOM 1192 O GLN A 82 1.872 17.774 -6.709 1.00 0.00 O ATOM 1193 CB GLN A 82 1.887 14.890 -7.577 1.00 0.00 C ATOM 1194 CG GLN A 82 1.314 13.480 -7.769 1.00 0.00 C ATOM 1195 CD GLN A 82 1.810 12.535 -6.677 1.00 0.00 C ATOM 1196 OE1 GLN A 82 3.018 12.391 -6.490 1.00 0.00 O ATOM 1197 NE2 GLN A 82 0.949 11.814 -6.004 1.00 0.00 N ATOM 0 H GLN A 82 -0.413 16.205 -7.048 1.00 0.00 H new ATOM 0 HA GLN A 82 1.646 14.771 -5.449 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.587 15.534 -8.404 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.977 14.857 -7.577 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.225 13.521 -7.753 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.604 13.096 -8.747 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -0.051 11.936 -6.161 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.279 11.131 -5.322 1.00 0.00 H new ATOM 1206 N LYS A 83 2.391 16.916 -4.690 1.00 0.00 N ATOM 1207 CA LYS A 83 3.242 17.966 -4.140 1.00 0.00 C ATOM 1208 C LYS A 83 4.328 17.210 -3.379 1.00 0.00 C ATOM 1209 O LYS A 83 4.280 15.979 -3.403 1.00 0.00 O ATOM 1210 CB LYS A 83 2.389 18.856 -3.222 1.00 0.00 C ATOM 1211 CG LYS A 83 3.182 20.056 -2.692 1.00 0.00 C ATOM 1212 CD LYS A 83 2.258 20.936 -1.843 1.00 0.00 C ATOM 1213 CE LYS A 83 3.035 22.148 -1.323 1.00 0.00 C ATOM 1214 NZ LYS A 83 2.132 23.018 -0.524 1.00 0.00 N ATOM 0 H LYS A 83 2.097 16.241 -3.984 1.00 0.00 H new ATOM 0 HA LYS A 83 3.685 18.626 -4.886 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.516 19.211 -3.770 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.021 18.265 -2.383 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.027 19.713 -2.095 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.591 20.632 -3.522 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.406 21.266 -2.438 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.860 20.361 -1.007 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.874 21.818 -0.710 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.452 22.710 -2.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.663 23.840 -0.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.346 23.344 -1.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.755 22.480 0.282 1.00 0.00 H new ATOM 1228 N ARG A 84 5.379 17.831 -2.847 1.00 0.00 N ATOM 1229 CA ARG A 84 6.240 16.982 -2.030 1.00 0.00 C ATOM 1230 C ARG A 84 5.583 16.888 -0.656 1.00 0.00 C ATOM 1231 O ARG A 84 6.269 16.825 0.364 1.00 0.00 O ATOM 1232 CB ARG A 84 7.535 17.782 -1.840 1.00 0.00 C ATOM 1233 CG ARG A 84 8.294 18.002 -3.153 1.00 0.00 C ATOM 1234 CD ARG A 84 9.518 18.871 -2.852 1.00 0.00 C ATOM 1235 NE ARG A 84 10.240 19.152 -4.092 1.00 0.00 N ATOM 1236 CZ ARG A 84 11.214 18.379 -4.568 1.00 0.00 C ATOM 1237 NH1 ARG A 84 11.666 17.383 -3.857 1.00 0.00 N ATOM 1238 NH2 ARG A 84 11.880 18.754 -5.632 1.00 0.00 N ATOM 0 H ARG A 84 5.638 18.812 -2.948 1.00 0.00 H new ATOM 0 HA ARG A 84 6.407 15.998 -2.469 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.298 18.749 -1.396 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.181 17.258 -1.136 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.600 17.047 -3.581 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.652 18.489 -3.887 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.207 19.804 -2.382 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.173 18.361 -2.146 1.00 0.00 H new ATOM 0 HE ARG A 84 9.984 19.985 -4.621 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.273 17.195 -2.935 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.412 16.792 -4.224 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.652 19.635 -6.092 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.627 18.165 -6.000 1.00 0.00 H new ATOM 1252 N MET A 85 4.347 16.393 -0.705 1.00 0.00 N ATOM 1253 CA MET A 85 3.698 15.559 0.296 1.00 0.00 C ATOM 1254 C MET A 85 2.727 14.645 -0.448 1.00 0.00 C ATOM 1255 O MET A 85 1.804 15.183 -1.070 1.00 0.00 O ATOM 1256 CB MET A 85 2.942 16.523 1.214 1.00 0.00 C ATOM 1257 CG MET A 85 2.089 15.791 2.251 1.00 0.00 C ATOM 1258 SD MET A 85 2.776 16.096 3.897 1.00 0.00 S ATOM 1259 CE MET A 85 1.850 14.802 4.757 1.00 0.00 C ATOM 0 H MET A 85 3.735 16.579 -1.500 1.00 0.00 H new ATOM 0 HA MET A 85 4.389 14.949 0.877 1.00 0.00 H new ATOM 0 HB2 MET A 85 3.656 17.169 1.725 1.00 0.00 H new ATOM 0 HB3 MET A 85 2.303 17.168 0.612 1.00 0.00 H new ATOM 0 HG2 MET A 85 1.057 16.139 2.203 1.00 0.00 H new ATOM 0 HG3 MET A 85 2.075 14.722 2.041 1.00 0.00 H new ATOM 0 HE1 MET A 85 2.119 14.803 5.813 1.00 0.00 H new ATOM 0 HE2 MET A 85 0.781 14.990 4.654 1.00 0.00 H new ATOM 0 HE3 MET A 85 2.091 13.832 4.322 1.00 0.00 H new ATOM 1269 N PRO A 86 2.879 13.314 -0.521 1.00 0.00 N ATOM 1270 CA PRO A 86 1.823 12.516 -1.204 1.00 0.00 C ATOM 1271 C PRO A 86 0.492 12.663 -0.469 1.00 0.00 C ATOM 1272 O PRO A 86 0.456 12.555 0.757 1.00 0.00 O ATOM 1273 CB PRO A 86 2.352 11.079 -1.156 1.00 0.00 C ATOM 1274 CG PRO A 86 3.815 11.183 -0.873 1.00 0.00 C ATOM 1275 CD PRO A 86 4.039 12.499 -0.124 1.00 0.00 C ATOM 0 HA PRO A 86 1.630 12.838 -2.227 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.846 10.503 -0.381 1.00 0.00 H new ATOM 0 HB3 PRO A 86 2.174 10.567 -2.101 1.00 0.00 H new ATOM 0 HG2 PRO A 86 4.152 10.337 -0.274 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.388 11.165 -1.800 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.074 12.347 0.955 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.979 12.970 -0.410 1.00 0.00 H new ATOM 1283 N HIS A 87 -0.607 12.764 -1.214 1.00 0.00 N ATOM 1284 CA HIS A 87 -1.919 12.885 -0.590 1.00 0.00 C ATOM 1285 C HIS A 87 -2.999 12.454 -1.579 1.00 0.00 C ATOM 1286 O HIS A 87 -2.967 12.864 -2.739 1.00 0.00 O ATOM 1287 CB HIS A 87 -2.149 14.336 -0.149 1.00 0.00 C ATOM 1288 CG HIS A 87 -3.277 14.385 0.841 1.00 0.00 C ATOM 1289 ND1 HIS A 87 -3.105 13.897 2.127 1.00 0.00 N ATOM 1290 CD2 HIS A 87 -4.632 14.526 0.670 1.00 0.00 C ATOM 1291 CE1 HIS A 87 -4.324 13.675 2.644 1.00 0.00 C ATOM 1292 NE2 HIS A 87 -5.284 13.925 1.748 1.00 0.00 N ATOM 0 H HIS A 87 -0.615 12.764 -2.234 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.966 12.239 0.287 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.241 14.740 0.298 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.382 14.958 -1.013 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -2.214 13.736 2.596 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -5.114 15.020 -0.161 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -4.506 13.338 3.654 1.00 0.00 H new ATOM 1301 N ILE A 88 -3.983 11.688 -1.110 1.00 0.00 N ATOM 1302 CA ILE A 88 -5.175 11.414 -1.910 1.00 0.00 C ATOM 1303 C ILE A 88 -6.435 11.757 -1.118 1.00 0.00 C ATOM 1304 O ILE A 88 -6.426 11.720 0.112 1.00 0.00 O ATOM 1305 CB ILE A 88 -5.208 9.950 -2.367 1.00 0.00 C ATOM 1306 CG1 ILE A 88 -5.275 8.990 -1.171 1.00 0.00 C ATOM 1307 CG2 ILE A 88 -3.919 9.662 -3.143 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -5.527 7.558 -1.659 1.00 0.00 C ATOM 0 H ILE A 88 -3.979 11.250 -0.189 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.139 12.042 -2.800 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.094 9.798 -2.984 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.342 9.032 -0.608 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.071 9.297 -0.492 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.920 8.625 -3.478 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.859 10.323 -4.008 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.059 9.833 -2.496 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.573 6.885 -0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.471 7.520 -2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.716 7.251 -2.319 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.455 12.254 -1.814 1.00 0.00 N ATOM 1321 CA VAL A 89 -8.742 12.541 -1.181 1.00 0.00 C ATOM 1322 C VAL A 89 -9.859 11.701 -1.800 1.00 0.00 C ATOM 1323 O VAL A 89 -10.071 11.736 -3.009 1.00 0.00 O ATOM 1324 CB VAL A 89 -9.075 14.035 -1.309 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -8.203 14.843 -0.343 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -8.825 14.522 -2.741 1.00 0.00 C ATOM 0 H VAL A 89 -7.417 12.466 -2.811 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.664 12.281 -0.125 1.00 0.00 H new ATOM 0 HB VAL A 89 -10.128 14.176 -1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -8.442 15.902 -0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.394 14.517 0.679 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.152 14.686 -0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.067 15.583 -2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.777 14.370 -2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.454 13.960 -3.431 1.00 0.00 H new ATOM 1336 N VAL A 90 -10.649 11.058 -0.942 1.00 0.00 N ATOM 1337 CA VAL A 90 -11.690 10.133 -1.382 1.00 0.00 C ATOM 1338 C VAL A 90 -13.043 10.629 -0.878 1.00 0.00 C ATOM 1339 O VAL A 90 -13.283 10.626 0.330 1.00 0.00 O ATOM 1340 CB VAL A 90 -11.418 8.738 -0.798 1.00 0.00 C ATOM 1341 CG1 VAL A 90 -12.630 7.824 -1.016 1.00 0.00 C ATOM 1342 CG2 VAL A 90 -10.181 8.124 -1.459 1.00 0.00 C ATOM 0 H VAL A 90 -10.586 11.163 0.071 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.694 10.079 -2.471 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.239 8.838 0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.423 6.839 -0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.502 8.252 -0.522 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.827 7.730 -2.084 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.997 7.136 -1.038 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -10.348 8.036 -2.533 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.317 8.763 -1.277 1.00 0.00 H new ATOM 1352 N LYS A 91 -14.008 10.689 -1.789 1.00 0.00 N ATOM 1353 CA LYS A 91 -15.370 11.043 -1.420 1.00 0.00 C ATOM 1354 C LYS A 91 -16.250 9.858 -1.788 1.00 0.00 C ATOM 1355 O LYS A 91 -16.436 9.630 -2.979 1.00 0.00 O ATOM 1356 CB LYS A 91 -15.893 12.285 -2.164 1.00 0.00 C ATOM 1357 CG LYS A 91 -15.122 12.627 -3.450 1.00 0.00 C ATOM 1358 CD LYS A 91 -13.683 13.107 -3.189 1.00 0.00 C ATOM 1359 CE LYS A 91 -12.990 13.453 -4.511 1.00 0.00 C ATOM 1360 NZ LYS A 91 -11.600 13.915 -4.231 1.00 0.00 N ATOM 0 H LYS A 91 -13.872 10.498 -2.782 1.00 0.00 H new ATOM 0 HA LYS A 91 -15.390 11.277 -0.356 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -16.942 12.128 -2.415 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.851 13.141 -1.491 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -15.093 11.747 -4.093 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.663 13.401 -3.994 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -13.696 13.981 -2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -13.122 12.331 -2.669 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.971 12.581 -5.164 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -13.546 14.231 -5.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.282 14.543 -4.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.581 14.432 -3.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.966 13.093 -4.172 1.00 0.00 H new ATOM 1374 N CYS A 92 -17.030 9.355 -0.829 1.00 0.00 N ATOM 1375 CA CYS A 92 -17.957 8.270 -1.136 1.00 0.00 C ATOM 1376 C CYS A 92 -19.387 8.794 -1.015 1.00 0.00 C ATOM 1377 O CYS A 92 -19.845 9.132 0.074 1.00 0.00 O ATOM 1378 CB CYS A 92 -17.700 7.043 -0.241 1.00 0.00 C ATOM 1379 SG CYS A 92 -19.193 6.052 0.036 1.00 0.00 S ATOM 0 H CYS A 92 -17.039 9.672 0.140 1.00 0.00 H new ATOM 0 HA CYS A 92 -17.799 7.929 -2.159 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -16.934 6.418 -0.700 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -17.306 7.375 0.720 1.00 0.00 H new ATOM 0 HG CYS A 92 -19.718 6.370 1.182 1.00 0.00 H new ATOM 1384 N LEU A 93 -20.159 8.560 -2.068 1.00 0.00 N ATOM 1385 CA LEU A 93 -21.427 9.250 -2.269 1.00 0.00 C ATOM 1386 C LEU A 93 -22.398 8.908 -1.144 1.00 0.00 C ATOM 1387 O LEU A 93 -23.265 9.716 -0.820 1.00 0.00 O ATOM 1388 CB LEU A 93 -21.968 8.940 -3.671 1.00 0.00 C ATOM 1389 CG LEU A 93 -21.058 9.629 -4.695 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -21.388 9.122 -6.101 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -21.284 11.145 -4.641 1.00 0.00 C ATOM 0 H LEU A 93 -19.927 7.891 -2.802 1.00 0.00 H new ATOM 0 HA LEU A 93 -21.284 10.330 -2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -21.987 7.864 -3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -22.993 9.297 -3.771 1.00 0.00 H new ATOM 0 HG LEU A 93 -20.018 9.403 -4.461 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -20.740 9.613 -6.826 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -21.231 8.044 -6.145 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -22.429 9.347 -6.334 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -20.637 11.635 -5.369 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -22.326 11.366 -4.874 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -21.050 11.512 -3.642 1.00 0.00 H new ATOM 1403 N GLU A 94 -22.419 7.645 -0.727 1.00 0.00 N ATOM 1404 CA GLU A 94 -23.442 7.187 0.210 1.00 0.00 C ATOM 1405 C GLU A 94 -23.276 7.885 1.558 1.00 0.00 C ATOM 1406 O GLU A 94 -24.272 8.169 2.221 1.00 0.00 O ATOM 1407 CB GLU A 94 -23.418 5.669 0.444 1.00 0.00 C ATOM 1408 CG GLU A 94 -22.461 4.985 -0.531 1.00 0.00 C ATOM 1409 CD GLU A 94 -22.911 5.254 -1.964 1.00 0.00 C ATOM 1410 OE1 GLU A 94 -24.084 5.065 -2.255 1.00 0.00 O ATOM 1411 OE2 GLU A 94 -22.111 5.805 -2.699 1.00 0.00 O ATOM 0 H GLU A 94 -21.751 6.930 -1.017 1.00 0.00 H new ATOM 0 HA GLU A 94 -24.399 7.440 -0.247 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -23.112 5.459 1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -24.422 5.262 0.322 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -21.447 5.356 -0.382 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -22.439 3.912 -0.342 1.00 0.00 H new ATOM 1418 N CYS A 95 -22.032 8.094 1.995 1.00 0.00 N ATOM 1419 CA CYS A 95 -21.820 8.947 3.159 1.00 0.00 C ATOM 1420 C CYS A 95 -21.991 10.405 2.736 1.00 0.00 C ATOM 1421 O CYS A 95 -22.394 11.233 3.549 1.00 0.00 O ATOM 1422 CB CYS A 95 -20.443 8.790 3.826 1.00 0.00 C ATOM 1423 SG CYS A 95 -19.088 8.542 2.651 1.00 0.00 S ATOM 0 H CYS A 95 -21.188 7.701 1.578 1.00 0.00 H new ATOM 0 HA CYS A 95 -22.557 8.638 3.900 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -20.236 9.678 4.424 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -20.476 7.944 4.512 1.00 0.00 H new ATOM 0 HG CYS A 95 -19.423 9.029 1.493 1.00 0.00 H new ATOM 1428 N GLY A 96 -21.597 10.733 1.503 1.00 0.00 N ATOM 1429 CA GLY A 96 -21.590 12.122 1.043 1.00 0.00 C ATOM 1430 C GLY A 96 -20.353 12.861 1.544 1.00 0.00 C ATOM 1431 O GLY A 96 -20.300 14.088 1.516 1.00 0.00 O ATOM 0 H GLY A 96 -21.280 10.057 0.808 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -21.616 12.148 -0.046 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -22.488 12.629 1.395 1.00 0.00 H new ATOM 1435 N HIS A 97 -19.383 12.110 2.051 1.00 0.00 N ATOM 1436 CA HIS A 97 -18.307 12.695 2.840 1.00 0.00 C ATOM 1437 C HIS A 97 -16.945 12.433 2.212 1.00 0.00 C ATOM 1438 O HIS A 97 -16.756 11.446 1.509 1.00 0.00 O ATOM 1439 CB HIS A 97 -18.345 12.181 4.281 1.00 0.00 C ATOM 1440 CG HIS A 97 -19.597 12.670 4.963 1.00 0.00 C ATOM 1441 ND1 HIS A 97 -19.791 14.020 5.207 1.00 0.00 N ATOM 1442 CD2 HIS A 97 -20.571 12.037 5.701 1.00 0.00 C ATOM 1443 CE1 HIS A 97 -21.005 14.157 5.767 1.00 0.00 C ATOM 1444 NE2 HIS A 97 -21.553 12.971 6.049 1.00 0.00 N ATOM 0 H HIS A 97 -19.320 11.099 1.931 1.00 0.00 H new ATOM 0 HA HIS A 97 -18.463 13.774 2.855 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -18.317 11.091 4.289 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -17.465 12.527 4.824 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -20.576 10.991 5.968 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -21.479 15.107 5.965 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -22.480 12.788 6.432 1.00 0.00 H new ATOM 1453 N ILE A 98 -16.043 13.386 2.421 1.00 0.00 N ATOM 1454 CA ILE A 98 -14.663 13.290 1.959 1.00 0.00 C ATOM 1455 C ILE A 98 -13.735 12.737 3.037 1.00 0.00 C ATOM 1456 O ILE A 98 -13.973 12.919 4.231 1.00 0.00 O ATOM 1457 CB ILE A 98 -14.197 14.682 1.514 1.00 0.00 C ATOM 1458 CG1 ILE A 98 -12.762 14.635 0.975 1.00 0.00 C ATOM 1459 CG2 ILE A 98 -14.260 15.672 2.683 1.00 0.00 C ATOM 1460 CD1 ILE A 98 -12.665 13.755 -0.274 1.00 0.00 C ATOM 0 H ILE A 98 -16.250 14.252 2.919 1.00 0.00 H new ATOM 0 HA ILE A 98 -14.624 12.593 1.122 1.00 0.00 H new ATOM 0 HB ILE A 98 -14.866 15.013 0.720 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -12.427 15.645 0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -12.094 14.251 1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -13.925 16.653 2.347 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.286 15.743 3.045 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -13.614 15.325 3.489 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.635 13.743 -0.631 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -12.976 12.740 -0.029 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -13.314 14.155 -1.053 1.00 0.00 H new ATOM 1472 N MET A 99 -12.972 11.740 2.609 1.00 0.00 N ATOM 1473 CA MET A 99 -11.954 11.115 3.440 1.00 0.00 C ATOM 1474 C MET A 99 -10.575 11.435 2.875 1.00 0.00 C ATOM 1475 O MET A 99 -10.346 11.330 1.672 1.00 0.00 O ATOM 1476 CB MET A 99 -12.178 9.598 3.444 1.00 0.00 C ATOM 1477 CG MET A 99 -13.498 9.266 4.150 1.00 0.00 C ATOM 1478 SD MET A 99 -13.847 7.491 4.060 1.00 0.00 S ATOM 1479 CE MET A 99 -12.534 6.910 5.163 1.00 0.00 C ATOM 0 H MET A 99 -13.043 11.341 1.673 1.00 0.00 H new ATOM 0 HA MET A 99 -12.018 11.495 4.460 1.00 0.00 H new ATOM 0 HB2 MET A 99 -12.198 9.222 2.421 1.00 0.00 H new ATOM 0 HB3 MET A 99 -11.350 9.101 3.950 1.00 0.00 H new ATOM 0 HG2 MET A 99 -13.446 9.579 5.193 1.00 0.00 H new ATOM 0 HG3 MET A 99 -14.313 9.825 3.690 1.00 0.00 H new ATOM 0 HE1 MET A 99 -12.778 5.911 5.525 1.00 0.00 H new ATOM 0 HE2 MET A 99 -11.590 6.878 4.620 1.00 0.00 H new ATOM 0 HE3 MET A 99 -12.443 7.590 6.010 1.00 0.00 H new ATOM 1489 N ARG A 100 -9.642 11.760 3.759 1.00 0.00 N ATOM 1490 CA ARG A 100 -8.271 12.029 3.346 1.00 0.00 C ATOM 1491 C ARG A 100 -7.378 10.828 3.654 1.00 0.00 C ATOM 1492 O ARG A 100 -7.329 10.380 4.799 1.00 0.00 O ATOM 1493 CB ARG A 100 -7.765 13.266 4.090 1.00 0.00 C ATOM 1494 CG ARG A 100 -8.530 14.503 3.608 1.00 0.00 C ATOM 1495 CD ARG A 100 -8.059 15.740 4.377 1.00 0.00 C ATOM 1496 NE ARG A 100 -8.801 16.920 3.930 1.00 0.00 N ATOM 1497 CZ ARG A 100 -8.387 17.706 2.933 1.00 0.00 C ATOM 1498 NH1 ARG A 100 -7.166 17.604 2.475 1.00 0.00 N ATOM 1499 NH2 ARG A 100 -9.177 18.638 2.474 1.00 0.00 N ATOM 0 H ARG A 100 -9.808 11.844 4.762 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.242 12.208 2.271 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.900 13.138 5.164 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.697 13.396 3.916 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -8.371 14.646 2.539 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.601 14.359 3.754 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.206 15.591 5.447 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.991 15.891 4.220 1.00 0.00 H new ATOM 0 HE ARG A 100 -9.675 17.153 4.402 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.525 16.922 2.880 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -6.855 18.207 1.713 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -10.106 18.763 2.877 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.866 19.241 1.713 1.00 0.00 H new ATOM 1513 N TYR A 101 -6.507 10.490 2.704 1.00 0.00 N ATOM 1514 CA TYR A 101 -5.472 9.482 2.930 1.00 0.00 C ATOM 1515 C TYR A 101 -4.090 10.062 2.621 1.00 0.00 C ATOM 1516 O TYR A 101 -3.786 10.366 1.466 1.00 0.00 O ATOM 1517 CB TYR A 101 -5.754 8.262 2.041 1.00 0.00 C ATOM 1518 CG TYR A 101 -6.020 7.040 2.897 1.00 0.00 C ATOM 1519 CD1 TYR A 101 -7.317 6.786 3.374 1.00 0.00 C ATOM 1520 CD2 TYR A 101 -5.036 6.052 3.030 1.00 0.00 C ATOM 1521 CE1 TYR A 101 -7.569 5.647 4.153 1.00 0.00 C ATOM 1522 CE2 TYR A 101 -5.315 4.872 3.730 1.00 0.00 C ATOM 1523 CZ TYR A 101 -6.559 4.700 4.348 1.00 0.00 C ATOM 1524 OH TYR A 101 -6.794 3.586 5.127 1.00 0.00 O ATOM 0 H TYR A 101 -6.498 10.900 1.770 1.00 0.00 H new ATOM 0 HA TYR A 101 -5.485 9.176 3.976 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -6.614 8.460 1.401 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.904 8.077 1.385 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -8.121 7.468 3.141 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.060 6.201 2.592 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.541 5.502 4.601 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -4.569 4.093 3.793 1.00 0.00 H new ATOM 0 HH TYR A 101 -5.987 3.031 5.156 1.00 0.00 H new ATOM 1534 N PRO A 102 -3.355 10.481 3.655 1.00 0.00 N ATOM 1535 CA PRO A 102 -1.915 10.833 3.507 1.00 0.00 C ATOM 1536 C PRO A 102 -1.028 9.626 3.225 1.00 0.00 C ATOM 1537 O PRO A 102 -1.220 8.552 3.802 1.00 0.00 O ATOM 1538 CB PRO A 102 -1.591 11.498 4.846 1.00 0.00 C ATOM 1539 CG PRO A 102 -2.473 10.812 5.833 1.00 0.00 C ATOM 1540 CD PRO A 102 -3.753 10.442 5.079 1.00 0.00 C ATOM 0 HA PRO A 102 -1.727 11.478 2.649 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.539 11.377 5.104 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -1.790 12.569 4.815 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -1.988 9.923 6.236 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -2.694 11.465 6.677 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.113 9.454 5.366 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.557 11.148 5.288 1.00 0.00 H new ATOM 1548 N TYR A 103 0.050 9.848 2.480 1.00 0.00 N ATOM 1549 CA TYR A 103 1.062 8.816 2.277 1.00 0.00 C ATOM 1550 C TYR A 103 2.441 9.477 2.202 1.00 0.00 C ATOM 1551 O TYR A 103 2.526 10.687 1.992 1.00 0.00 O ATOM 1552 CB TYR A 103 0.732 8.041 0.995 1.00 0.00 C ATOM 1553 CG TYR A 103 1.676 6.871 0.818 1.00 0.00 C ATOM 1554 CD1 TYR A 103 1.462 5.688 1.541 1.00 0.00 C ATOM 1555 CD2 TYR A 103 2.782 6.978 -0.035 1.00 0.00 C ATOM 1556 CE1 TYR A 103 2.280 4.575 1.316 1.00 0.00 C ATOM 1557 CE2 TYR A 103 3.642 5.881 -0.205 1.00 0.00 C ATOM 1558 CZ TYR A 103 3.375 4.673 0.450 1.00 0.00 C ATOM 1559 OH TYR A 103 4.272 3.630 0.361 1.00 0.00 O ATOM 0 H TYR A 103 0.246 10.731 2.008 1.00 0.00 H new ATOM 0 HA TYR A 103 1.071 8.110 3.108 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.296 7.682 1.036 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.803 8.706 0.134 1.00 0.00 H new ATOM 0 HD1 TYR A 103 0.667 5.636 2.270 1.00 0.00 H new ATOM 0 HD2 TYR A 103 2.973 7.902 -0.561 1.00 0.00 H new ATOM 0 HE1 TYR A 103 2.066 3.639 1.811 1.00 0.00 H new ATOM 0 HE2 TYR A 103 4.510 5.969 -0.842 1.00 0.00 H new ATOM 0 HH TYR A 103 4.973 3.856 -0.285 1.00 0.00 H new