USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=18 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 65 LYS NZ :NH3+ 176:sc= 0.221 (180deg=0) USER MOD Set 1.2: A 97 HIS :FLIP no HD1:sc= 0.172 F(o=-0.43,f=0.39) USER MOD Set 2.1: A 63 CYS SG : rot 140:sc= 0.25 USER MOD Set 2.2: A 66 CYS SG : rot 109:sc= -9.28! USER MOD Set 2.3: A 75 ASN : amide:sc= -5.43! C(o=-14!,f=-18!) USER MOD Set 2.4: A 92 CYS SG : rot -101:sc= -0.973 USER MOD Set 2.5: A 95 CYS SG : rot 5:sc= 0.946 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 94:sc= 1.22 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 :FLIP amide:sc= -0.208 F(o=-4.7!,f=-0.21) USER MOD Single : A 48 GLN : amide:sc= -0.0681 X(o=-0.068,f=-0.1) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -165:sc= -0.0104 (180deg=-0.236) 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 67 HIS : no HE2:sc= -0.0603 K(o=-0.06,f=-0.9) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-1.1!) 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 HD1:sc= -2 K(o=-2,f=-4.3!) USER MOD Single : A 91 LYS NZ :NH3+ -154:sc= -0.893 (180deg=-1.43) USER MOD Single : A 99 MET CE :methyl 157:sc= -0.088 (180deg=-0.696) 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 -19.479 -19.376 1.255 1.00 0.00 N ATOM 24 CA GLU A 16 -19.924 -19.167 -0.125 1.00 0.00 C ATOM 25 C GLU A 16 -20.969 -18.057 -0.188 1.00 0.00 C ATOM 26 O GLU A 16 -20.903 -17.192 -1.058 1.00 0.00 O ATOM 27 CB GLU A 16 -20.463 -20.467 -0.730 1.00 0.00 C ATOM 28 CG GLU A 16 -19.307 -21.459 -0.907 1.00 0.00 C ATOM 29 CD GLU A 16 -19.764 -22.821 -1.427 1.00 0.00 C ATOM 30 OE1 GLU A 16 -20.856 -22.903 -1.971 1.00 0.00 O ATOM 31 OE2 GLU A 16 -18.901 -23.676 -1.564 1.00 0.00 O ATOM 0 HA GLU A 16 -19.064 -18.857 -0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -21.228 -20.894 -0.082 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -20.936 -20.266 -1.691 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.577 -21.038 -1.599 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.800 -21.592 0.049 1.00 0.00 H new ATOM 38 N ARG A 17 -21.779 -17.966 0.863 1.00 0.00 N ATOM 39 CA ARG A 17 -22.901 -17.034 0.891 1.00 0.00 C ATOM 40 C ARG A 17 -22.453 -15.584 0.747 1.00 0.00 C ATOM 41 O ARG A 17 -23.071 -14.802 0.027 1.00 0.00 O ATOM 42 CB ARG A 17 -23.626 -17.165 2.241 1.00 0.00 C ATOM 43 CG ARG A 17 -24.858 -16.248 2.290 1.00 0.00 C ATOM 44 CD ARG A 17 -25.537 -16.356 3.657 1.00 0.00 C ATOM 45 NE ARG A 17 -26.790 -15.601 3.690 1.00 0.00 N ATOM 46 CZ ARG A 17 -27.402 -15.285 4.835 1.00 0.00 C ATOM 47 NH1 ARG A 17 -26.827 -15.539 5.983 1.00 0.00 N ATOM 48 NH2 ARG A 17 -28.458 -14.502 4.814 1.00 0.00 N ATOM 0 H ARG A 17 -21.678 -18.528 1.708 1.00 0.00 H new ATOM 0 HA ARG A 17 -23.551 -17.283 0.052 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -23.931 -18.200 2.396 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -22.944 -16.909 3.052 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -24.561 -15.216 2.103 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -25.560 -16.526 1.503 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -25.735 -17.403 3.885 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -24.865 -15.983 4.430 1.00 0.00 H new ATOM 0 HE ARG A 17 -27.211 -15.306 2.809 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -25.908 -15.980 6.006 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -27.298 -15.296 6.854 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -28.806 -14.139 3.927 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -28.929 -14.258 5.685 1.00 0.00 H new ATOM 62 N ILE A 18 -21.390 -15.225 1.463 1.00 0.00 N ATOM 63 CA ILE A 18 -20.833 -13.882 1.405 1.00 0.00 C ATOM 64 C ILE A 18 -20.327 -13.624 -0.014 1.00 0.00 C ATOM 65 O ILE A 18 -20.405 -12.492 -0.504 1.00 0.00 O ATOM 66 CB ILE A 18 -19.723 -13.726 2.449 1.00 0.00 C ATOM 67 CG1 ILE A 18 -20.370 -13.779 3.841 1.00 0.00 C ATOM 68 CG2 ILE A 18 -18.988 -12.396 2.255 1.00 0.00 C ATOM 69 CD1 ILE A 18 -19.300 -13.907 4.929 1.00 0.00 C ATOM 0 H ILE A 18 -20.895 -15.855 2.095 1.00 0.00 H new ATOM 0 HA ILE A 18 -21.597 -13.141 1.640 1.00 0.00 H new ATOM 0 HB ILE A 18 -18.993 -14.528 2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -20.960 -12.878 4.008 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -21.056 -14.624 3.897 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -18.203 -12.301 3.005 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -18.545 -12.367 1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -19.693 -11.572 2.362 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -19.779 -13.943 5.908 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -18.728 -14.821 4.771 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -18.631 -13.048 4.884 1.00 0.00 H new ATOM 81 N ASP A 19 -19.655 -14.624 -0.579 1.00 0.00 N ATOM 82 CA ASP A 19 -19.007 -14.501 -1.879 1.00 0.00 C ATOM 83 C ASP A 19 -20.042 -14.227 -2.978 1.00 0.00 C ATOM 84 O ASP A 19 -19.834 -13.348 -3.813 1.00 0.00 O ATOM 85 CB ASP A 19 -18.245 -15.801 -2.172 1.00 0.00 C ATOM 86 CG ASP A 19 -17.481 -15.775 -3.497 1.00 0.00 C ATOM 87 OD1 ASP A 19 -17.621 -14.828 -4.256 1.00 0.00 O ATOM 88 OD2 ASP A 19 -16.664 -16.664 -3.691 1.00 0.00 O ATOM 0 H ASP A 19 -19.545 -15.542 -0.147 1.00 0.00 H new ATOM 0 HA ASP A 19 -18.312 -13.661 -1.862 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -17.543 -15.992 -1.361 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.951 -16.632 -2.185 1.00 0.00 H new ATOM 93 N ILE A 20 -21.203 -14.882 -2.897 1.00 0.00 N ATOM 94 CA ILE A 20 -22.300 -14.605 -3.833 1.00 0.00 C ATOM 95 C ILE A 20 -22.832 -13.176 -3.661 1.00 0.00 C ATOM 96 O ILE A 20 -22.937 -12.448 -4.644 1.00 0.00 O ATOM 97 CB ILE A 20 -23.463 -15.595 -3.617 1.00 0.00 C ATOM 98 CG1 ILE A 20 -22.969 -17.045 -3.734 1.00 0.00 C ATOM 99 CG2 ILE A 20 -24.581 -15.324 -4.641 1.00 0.00 C ATOM 100 CD1 ILE A 20 -22.368 -17.337 -5.110 1.00 0.00 C ATOM 0 H ILE A 20 -21.408 -15.600 -2.202 1.00 0.00 H new ATOM 0 HA ILE A 20 -21.900 -14.719 -4.840 1.00 0.00 H new ATOM 0 HB ILE A 20 -23.861 -15.451 -2.613 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -22.222 -17.236 -2.964 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -23.799 -17.727 -3.549 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -25.398 -16.027 -4.482 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -24.949 -14.306 -4.517 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -24.188 -15.447 -5.650 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -22.032 -18.373 -5.148 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -23.123 -17.172 -5.879 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -21.521 -16.674 -5.285 1.00 0.00 H new ATOM 112 N LEU A 21 -23.010 -12.751 -2.419 1.00 0.00 N ATOM 113 CA LEU A 21 -23.456 -11.390 -2.140 1.00 0.00 C ATOM 114 C LEU A 21 -22.432 -10.373 -2.644 1.00 0.00 C ATOM 115 O LEU A 21 -22.805 -9.269 -3.054 1.00 0.00 O ATOM 116 CB LEU A 21 -23.704 -11.217 -0.639 1.00 0.00 C ATOM 117 CG LEU A 21 -24.941 -12.017 -0.220 1.00 0.00 C ATOM 118 CD1 LEU A 21 -25.032 -12.067 1.306 1.00 0.00 C ATOM 119 CD2 LEU A 21 -26.204 -11.351 -0.789 1.00 0.00 C ATOM 0 H LEU A 21 -22.854 -13.324 -1.590 1.00 0.00 H new ATOM 0 HA LEU A 21 -24.392 -11.212 -2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -22.834 -11.555 -0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -23.846 -10.162 -0.404 1.00 0.00 H new ATOM 0 HG LEU A 21 -24.860 -13.032 -0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -25.913 -12.637 1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -24.139 -12.546 1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -25.108 -11.053 1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -27.083 -11.922 -0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -26.284 -10.334 -0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -26.142 -11.324 -1.877 1.00 0.00 H new ATOM 131 N PHE A 22 -21.154 -10.681 -2.448 1.00 0.00 N ATOM 132 CA PHE A 22 -20.064 -9.814 -2.889 1.00 0.00 C ATOM 133 C PHE A 22 -20.113 -9.613 -4.408 1.00 0.00 C ATOM 134 O PHE A 22 -19.911 -8.490 -4.884 1.00 0.00 O ATOM 135 CB PHE A 22 -18.723 -10.436 -2.487 1.00 0.00 C ATOM 136 CG PHE A 22 -17.582 -9.571 -2.978 1.00 0.00 C ATOM 137 CD1 PHE A 22 -17.095 -8.525 -2.184 1.00 0.00 C ATOM 138 CD2 PHE A 22 -16.848 -9.979 -4.100 1.00 0.00 C ATOM 139 CE1 PHE A 22 -15.893 -7.883 -2.524 1.00 0.00 C ATOM 140 CE2 PHE A 22 -15.759 -9.214 -4.537 1.00 0.00 C ATOM 141 CZ PHE A 22 -15.224 -8.224 -3.704 1.00 0.00 C ATOM 0 H PHE A 22 -20.844 -11.534 -1.982 1.00 0.00 H new ATOM 0 HA PHE A 22 -20.173 -8.841 -2.411 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -18.671 -10.539 -1.403 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -18.637 -11.438 -2.907 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -17.645 -8.212 -1.309 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -17.121 -10.881 -4.627 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -15.484 -7.124 -1.873 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -15.333 -9.387 -5.514 1.00 0.00 H new ATOM 0 HZ PHE A 22 -14.302 -7.728 -3.970 1.00 0.00 H new ATOM 151 N SER A 23 -20.296 -10.696 -5.164 1.00 0.00 N ATOM 152 CA SER A 23 -20.410 -10.613 -6.617 1.00 0.00 C ATOM 153 C SER A 23 -21.617 -9.771 -7.018 1.00 0.00 C ATOM 154 O SER A 23 -21.503 -8.877 -7.852 1.00 0.00 O ATOM 155 CB SER A 23 -20.555 -12.030 -7.181 1.00 0.00 C ATOM 156 OG SER A 23 -20.996 -11.963 -8.531 1.00 0.00 O ATOM 0 H SER A 23 -20.368 -11.643 -4.791 1.00 0.00 H new ATOM 0 HA SER A 23 -19.516 -10.137 -7.020 1.00 0.00 H new ATOM 0 HB2 SER A 23 -19.601 -12.554 -7.125 1.00 0.00 H new ATOM 0 HB3 SER A 23 -21.267 -12.599 -6.583 1.00 0.00 H new ATOM 0 HG SER A 23 -21.087 -12.870 -8.891 1.00 0.00 H new ATOM 162 N LEU A 24 -22.741 -10.002 -6.349 1.00 0.00 N ATOM 163 CA LEU A 24 -23.952 -9.227 -6.608 1.00 0.00 C ATOM 164 C LEU A 24 -23.746 -7.756 -6.277 1.00 0.00 C ATOM 165 O LEU A 24 -24.202 -6.878 -7.012 1.00 0.00 O ATOM 166 CB LEU A 24 -25.130 -9.757 -5.789 1.00 0.00 C ATOM 167 CG LEU A 24 -25.556 -11.135 -6.307 1.00 0.00 C ATOM 168 CD1 LEU A 24 -26.539 -11.768 -5.315 1.00 0.00 C ATOM 169 CD2 LEU A 24 -26.230 -11.011 -7.678 1.00 0.00 C ATOM 0 H LEU A 24 -22.841 -10.715 -5.627 1.00 0.00 H new ATOM 0 HA LEU A 24 -24.174 -9.329 -7.670 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -24.850 -9.826 -4.738 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -25.967 -9.062 -5.851 1.00 0.00 H new ATOM 0 HG LEU A 24 -24.670 -11.761 -6.407 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -26.844 -12.749 -5.681 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -26.056 -11.877 -4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -27.416 -11.129 -5.214 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -26.525 -12.000 -8.029 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -27.113 -10.377 -7.593 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -25.532 -10.568 -8.388 1.00 0.00 H new ATOM 181 N ALA A 25 -23.067 -7.503 -5.163 1.00 0.00 N ATOM 182 CA ALA A 25 -22.768 -6.140 -4.743 1.00 0.00 C ATOM 183 C ALA A 25 -21.887 -5.468 -5.790 1.00 0.00 C ATOM 184 O ALA A 25 -22.003 -4.271 -6.025 1.00 0.00 O ATOM 185 CB ALA A 25 -22.055 -6.143 -3.389 1.00 0.00 C ATOM 0 H ALA A 25 -22.714 -8.225 -4.535 1.00 0.00 H new ATOM 0 HA ALA A 25 -23.702 -5.587 -4.643 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -21.839 -5.118 -3.089 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -22.695 -6.612 -2.642 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -21.123 -6.702 -3.470 1.00 0.00 H new ATOM 191 N GLU A 26 -20.967 -6.227 -6.385 1.00 0.00 N ATOM 192 CA GLU A 26 -20.067 -5.661 -7.384 1.00 0.00 C ATOM 193 C GLU A 26 -20.818 -5.210 -8.641 1.00 0.00 C ATOM 194 O GLU A 26 -20.371 -4.268 -9.287 1.00 0.00 O ATOM 195 CB GLU A 26 -19.023 -6.717 -7.770 1.00 0.00 C ATOM 196 CG GLU A 26 -18.013 -6.148 -8.776 1.00 0.00 C ATOM 197 CD GLU A 26 -16.968 -7.201 -9.145 1.00 0.00 C ATOM 198 OE1 GLU A 26 -16.637 -8.024 -8.303 1.00 0.00 O ATOM 199 OE2 GLU A 26 -16.307 -6.984 -10.145 1.00 0.00 O ATOM 0 H GLU A 26 -20.828 -7.220 -6.196 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.588 -4.784 -6.949 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -18.499 -7.060 -6.877 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -19.521 -7.586 -8.201 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -18.534 -5.815 -9.674 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.521 -5.273 -8.350 1.00 0.00 H new ATOM 206 N ARG A 27 -21.762 -6.014 -9.133 1.00 0.00 N ATOM 207 CA ARG A 27 -22.503 -5.637 -10.338 1.00 0.00 C ATOM 208 C ARG A 27 -23.388 -4.407 -10.129 1.00 0.00 C ATOM 209 O ARG A 27 -23.460 -3.529 -10.989 1.00 0.00 O ATOM 210 CB ARG A 27 -23.385 -6.795 -10.817 1.00 0.00 C ATOM 211 CG ARG A 27 -24.083 -6.395 -12.121 1.00 0.00 C ATOM 212 CD ARG A 27 -25.009 -7.502 -12.635 1.00 0.00 C ATOM 213 NE ARG A 27 -25.536 -7.126 -13.939 1.00 0.00 N ATOM 214 CZ ARG A 27 -26.639 -6.385 -14.048 1.00 0.00 C ATOM 215 NH1 ARG A 27 -27.237 -5.895 -12.995 1.00 0.00 N ATOM 216 NH2 ARG A 27 -27.080 -6.056 -15.232 1.00 0.00 N ATOM 0 H ARG A 27 -22.028 -6.911 -8.727 1.00 0.00 H new ATOM 0 HA ARG A 27 -21.751 -5.394 -11.089 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -22.779 -7.687 -10.974 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -24.125 -7.042 -10.056 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -24.660 -5.485 -11.960 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -23.334 -6.167 -12.879 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -24.463 -8.443 -12.709 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -25.827 -7.662 -11.933 1.00 0.00 H new ATOM 0 HE ARG A 27 -25.053 -7.435 -14.783 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -26.861 -6.077 -12.064 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -28.080 -5.331 -13.103 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -26.581 -6.366 -16.066 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -27.923 -5.489 -15.323 1.00 0.00 H new ATOM 230 N VAL A 28 -24.094 -4.364 -9.002 1.00 0.00 N ATOM 231 CA VAL A 28 -24.955 -3.227 -8.668 1.00 0.00 C ATOM 232 C VAL A 28 -24.103 -1.974 -8.476 1.00 0.00 C ATOM 233 O VAL A 28 -24.592 -0.852 -8.578 1.00 0.00 O ATOM 234 CB VAL A 28 -25.803 -3.561 -7.430 1.00 0.00 C ATOM 235 CG1 VAL A 28 -24.921 -3.812 -6.204 1.00 0.00 C ATOM 236 CG2 VAL A 28 -26.792 -2.432 -7.129 1.00 0.00 C ATOM 0 H VAL A 28 -24.088 -5.105 -8.301 1.00 0.00 H new ATOM 0 HA VAL A 28 -25.646 -3.026 -9.486 1.00 0.00 H new ATOM 0 HB VAL A 28 -26.358 -4.473 -7.651 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -25.550 -4.046 -5.345 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -24.252 -4.649 -6.402 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -24.332 -2.920 -5.991 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -27.382 -2.690 -6.249 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -26.244 -1.509 -6.941 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -27.456 -2.293 -7.982 1.00 0.00 H new ATOM 246 N PHE A 29 -22.907 -2.195 -7.944 1.00 0.00 N ATOM 247 CA PHE A 29 -22.064 -1.111 -7.456 1.00 0.00 C ATOM 248 C PHE A 29 -21.835 -0.011 -8.495 1.00 0.00 C ATOM 249 O PHE A 29 -22.151 1.147 -8.211 1.00 0.00 O ATOM 250 CB PHE A 29 -20.749 -1.730 -6.976 1.00 0.00 C ATOM 251 CG PHE A 29 -19.807 -0.651 -6.512 1.00 0.00 C ATOM 252 CD1 PHE A 29 -20.195 0.135 -5.419 1.00 0.00 C ATOM 253 CD2 PHE A 29 -18.455 -0.755 -6.833 1.00 0.00 C ATOM 254 CE1 PHE A 29 -19.235 0.853 -4.718 1.00 0.00 C ATOM 255 CE2 PHE A 29 -17.554 0.168 -6.317 1.00 0.00 C ATOM 256 CZ PHE A 29 -17.928 0.939 -5.214 1.00 0.00 C ATOM 0 H PHE A 29 -22.497 -3.123 -7.839 1.00 0.00 H new ATOM 0 HA PHE A 29 -22.570 -0.606 -6.633 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -20.943 -2.429 -6.162 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -20.291 -2.301 -7.784 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -21.233 0.182 -5.124 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -18.110 -1.548 -7.479 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -19.496 1.344 -3.792 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -16.578 0.288 -6.763 1.00 0.00 H new ATOM 0 HZ PHE A 29 -17.212 1.599 -4.746 1.00 0.00 H new ATOM 266 N PRO A 30 -21.275 -0.306 -9.678 1.00 0.00 N ATOM 267 CA PRO A 30 -21.235 0.690 -10.786 1.00 0.00 C ATOM 268 C PRO A 30 -22.619 1.108 -11.276 1.00 0.00 C ATOM 269 O PRO A 30 -22.768 2.171 -11.876 1.00 0.00 O ATOM 270 CB PRO A 30 -20.482 -0.035 -11.909 1.00 0.00 C ATOM 271 CG PRO A 30 -20.699 -1.488 -11.646 1.00 0.00 C ATOM 272 CD PRO A 30 -20.859 -1.640 -10.136 1.00 0.00 C ATOM 0 HA PRO A 30 -20.763 1.615 -10.456 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -20.865 0.250 -12.889 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -19.421 0.214 -11.897 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -21.586 -1.848 -12.168 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -19.856 -2.077 -12.007 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -21.605 -2.396 -9.889 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -19.925 -1.948 -9.666 1.00 0.00 H new ATOM 280 N TYR A 31 -23.571 0.179 -11.192 1.00 0.00 N ATOM 281 CA TYR A 31 -24.917 0.424 -11.698 1.00 0.00 C ATOM 282 C TYR A 31 -25.596 1.576 -10.945 1.00 0.00 C ATOM 283 O TYR A 31 -26.044 2.549 -11.558 1.00 0.00 O ATOM 284 CB TYR A 31 -25.743 -0.863 -11.596 1.00 0.00 C ATOM 285 CG TYR A 31 -27.167 -0.605 -12.023 1.00 0.00 C ATOM 286 CD1 TYR A 31 -27.522 -0.697 -13.377 1.00 0.00 C ATOM 287 CD2 TYR A 31 -28.152 -0.421 -11.050 1.00 0.00 C ATOM 288 CE1 TYR A 31 -28.859 -0.559 -13.749 1.00 0.00 C ATOM 289 CE2 TYR A 31 -29.470 -0.158 -11.432 1.00 0.00 C ATOM 290 CZ TYR A 31 -29.818 -0.216 -12.790 1.00 0.00 C ATOM 291 OH TYR A 31 -31.116 0.053 -13.175 1.00 0.00 O ATOM 0 H TYR A 31 -23.434 -0.744 -10.781 1.00 0.00 H new ATOM 0 HA TYR A 31 -24.849 0.721 -12.744 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -25.302 -1.637 -12.224 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -25.725 -1.235 -10.572 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -26.765 -0.874 -14.127 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -27.895 -0.482 -10.003 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -29.154 -0.717 -14.776 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -30.214 0.088 -10.689 1.00 0.00 H new ATOM 0 HH TYR A 31 -31.653 0.273 -12.385 1.00 0.00 H new ATOM 301 N SER A 32 -25.497 1.527 -9.621 1.00 0.00 N ATOM 302 CA SER A 32 -26.072 2.536 -8.742 1.00 0.00 C ATOM 303 C SER A 32 -25.431 2.398 -7.364 1.00 0.00 C ATOM 304 O SER A 32 -25.627 1.384 -6.701 1.00 0.00 O ATOM 305 CB SER A 32 -27.587 2.358 -8.578 1.00 0.00 C ATOM 306 OG SER A 32 -28.232 2.315 -9.840 1.00 0.00 O ATOM 0 H SER A 32 -25.011 0.780 -9.125 1.00 0.00 H new ATOM 0 HA SER A 32 -25.884 3.514 -9.184 1.00 0.00 H new ATOM 0 HB2 SER A 32 -27.792 1.439 -8.029 1.00 0.00 H new ATOM 0 HB3 SER A 32 -27.992 3.179 -7.986 1.00 0.00 H new ATOM 0 HG SER A 32 -28.324 1.383 -10.129 1.00 0.00 H new ATOM 312 N PRO A 33 -24.677 3.406 -6.907 1.00 0.00 N ATOM 313 CA PRO A 33 -24.053 3.381 -5.548 1.00 0.00 C ATOM 314 C PRO A 33 -25.066 3.121 -4.432 1.00 0.00 C ATOM 315 O PRO A 33 -24.877 2.261 -3.571 1.00 0.00 O ATOM 316 CB PRO A 33 -23.455 4.785 -5.429 1.00 0.00 C ATOM 317 CG PRO A 33 -23.244 5.283 -6.820 1.00 0.00 C ATOM 318 CD PRO A 33 -24.297 4.608 -7.682 1.00 0.00 C ATOM 0 HA PRO A 33 -23.327 2.575 -5.441 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -24.126 5.446 -4.879 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -22.513 4.759 -4.881 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -23.344 6.368 -6.863 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -22.241 5.041 -7.171 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -25.153 5.261 -7.851 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -23.900 4.342 -8.662 1.00 0.00 H new ATOM 326 N GLU A 34 -26.228 3.744 -4.593 1.00 0.00 N ATOM 327 CA GLU A 34 -27.276 3.707 -3.584 1.00 0.00 C ATOM 328 C GLU A 34 -27.868 2.306 -3.431 1.00 0.00 C ATOM 329 O GLU A 34 -28.212 1.891 -2.329 1.00 0.00 O ATOM 330 CB GLU A 34 -28.363 4.705 -4.000 1.00 0.00 C ATOM 331 CG GLU A 34 -29.488 4.774 -2.959 1.00 0.00 C ATOM 332 CD GLU A 34 -30.564 5.782 -3.370 1.00 0.00 C ATOM 333 OE1 GLU A 34 -30.249 6.714 -4.096 1.00 0.00 O ATOM 334 OE2 GLU A 34 -31.635 5.724 -2.788 1.00 0.00 O ATOM 0 H GLU A 34 -26.468 4.286 -5.423 1.00 0.00 H new ATOM 0 HA GLU A 34 -26.855 3.976 -2.615 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -27.922 5.694 -4.127 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -28.776 4.414 -4.966 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -29.937 3.788 -2.839 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -29.074 5.055 -1.991 1.00 0.00 H new ATOM 341 N LEU A 35 -28.096 1.631 -4.559 1.00 0.00 N ATOM 342 CA LEU A 35 -28.539 0.236 -4.552 1.00 0.00 C ATOM 343 C LEU A 35 -27.481 -0.672 -3.932 1.00 0.00 C ATOM 344 O LEU A 35 -27.764 -1.429 -3.008 1.00 0.00 O ATOM 345 CB LEU A 35 -28.861 -0.232 -5.973 1.00 0.00 C ATOM 346 CG LEU A 35 -30.117 0.473 -6.500 1.00 0.00 C ATOM 347 CD1 LEU A 35 -30.271 0.211 -8.004 1.00 0.00 C ATOM 348 CD2 LEU A 35 -31.363 -0.039 -5.772 1.00 0.00 C ATOM 0 H LEU A 35 -27.981 2.029 -5.491 1.00 0.00 H new ATOM 0 HA LEU A 35 -29.443 0.176 -3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -28.017 -0.024 -6.631 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -29.012 -1.311 -5.981 1.00 0.00 H new ATOM 0 HG LEU A 35 -30.011 1.543 -6.321 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -31.165 0.715 -8.371 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -29.397 0.593 -8.531 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -30.361 -0.861 -8.179 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -32.245 0.471 -6.158 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -31.464 -1.112 -5.935 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -31.267 0.159 -4.704 1.00 0.00 H new ATOM 360 N ALA A 36 -26.232 -0.401 -4.294 1.00 0.00 N ATOM 361 CA ALA A 36 -25.089 -1.184 -3.835 1.00 0.00 C ATOM 362 C ALA A 36 -24.947 -1.060 -2.324 1.00 0.00 C ATOM 363 O ALA A 36 -24.741 -2.054 -1.623 1.00 0.00 O ATOM 364 CB ALA A 36 -23.810 -0.686 -4.502 1.00 0.00 C ATOM 0 H ALA A 36 -25.982 0.369 -4.915 1.00 0.00 H new ATOM 0 HA ALA A 36 -25.253 -2.228 -4.101 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -22.963 -1.277 -4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -23.901 -0.786 -5.584 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -23.651 0.362 -4.247 1.00 0.00 H new ATOM 370 N LYS A 37 -25.262 0.137 -1.845 1.00 0.00 N ATOM 371 CA LYS A 37 -25.185 0.467 -0.427 1.00 0.00 C ATOM 372 C LYS A 37 -26.104 -0.471 0.344 1.00 0.00 C ATOM 373 O LYS A 37 -25.648 -1.178 1.230 1.00 0.00 O ATOM 374 CB LYS A 37 -25.613 1.936 -0.278 1.00 0.00 C ATOM 375 CG LYS A 37 -25.488 2.517 1.142 1.00 0.00 C ATOM 376 CD LYS A 37 -26.568 1.972 2.086 1.00 0.00 C ATOM 377 CE LYS A 37 -26.418 2.588 3.480 1.00 0.00 C ATOM 378 NZ LYS A 37 -27.481 2.059 4.381 1.00 0.00 N ATOM 0 H LYS A 37 -25.579 0.909 -2.431 1.00 0.00 H new ATOM 0 HA LYS A 37 -24.178 0.345 -0.029 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -25.012 2.543 -0.955 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -26.650 2.030 -0.601 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -24.503 2.281 1.544 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -25.562 3.604 1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -27.557 2.197 1.686 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -26.490 0.887 2.151 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -25.434 2.355 3.887 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -26.488 3.674 3.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -27.376 2.480 5.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -28.416 2.303 3.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -27.394 1.025 4.451 1.00 0.00 H new ATOM 392 N ARG A 38 -27.320 -0.656 -0.164 1.00 0.00 N ATOM 393 CA ARG A 38 -28.237 -1.629 0.427 1.00 0.00 C ATOM 394 C ARG A 38 -27.720 -3.070 0.330 1.00 0.00 C ATOM 395 O ARG A 38 -27.774 -3.804 1.318 1.00 0.00 O ATOM 396 CB ARG A 38 -29.585 -1.534 -0.295 1.00 0.00 C ATOM 397 CG ARG A 38 -30.279 -0.223 0.081 1.00 0.00 C ATOM 398 CD ARG A 38 -31.606 -0.096 -0.672 1.00 0.00 C ATOM 399 NE ARG A 38 -32.247 1.160 -0.309 1.00 0.00 N ATOM 400 CZ ARG A 38 -33.093 1.237 0.711 1.00 0.00 C ATOM 401 NH1 ARG A 38 -33.163 0.287 1.612 1.00 0.00 N ATOM 402 NH2 ARG A 38 -33.768 2.342 0.883 1.00 0.00 N ATOM 0 H ARG A 38 -27.690 -0.154 -0.971 1.00 0.00 H new ATOM 0 HA ARG A 38 -28.332 -1.390 1.486 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -29.435 -1.581 -1.374 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -30.215 -2.381 -0.023 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -30.457 -0.192 1.156 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -29.633 0.621 -0.159 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -31.432 -0.131 -1.747 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -32.258 -0.934 -0.427 1.00 0.00 H new ATOM 0 HE ARG A 38 -32.041 1.999 -0.851 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -32.560 -0.532 1.537 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -33.821 0.367 2.388 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -33.639 3.123 0.240 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -34.424 2.423 1.660 1.00 0.00 H new ATOM 416 N TYR A 39 -27.174 -3.457 -0.824 1.00 0.00 N ATOM 417 CA TYR A 39 -26.614 -4.796 -1.010 1.00 0.00 C ATOM 418 C TYR A 39 -25.405 -5.105 -0.123 1.00 0.00 C ATOM 419 O TYR A 39 -25.158 -6.274 0.175 1.00 0.00 O ATOM 420 CB TYR A 39 -26.280 -5.043 -2.482 1.00 0.00 C ATOM 421 CG TYR A 39 -27.559 -5.190 -3.281 1.00 0.00 C ATOM 422 CD1 TYR A 39 -28.238 -6.419 -3.251 1.00 0.00 C ATOM 423 CD2 TYR A 39 -27.930 -4.219 -4.232 1.00 0.00 C ATOM 424 CE1 TYR A 39 -29.442 -6.556 -3.942 1.00 0.00 C ATOM 425 CE2 TYR A 39 -29.109 -4.388 -4.973 1.00 0.00 C ATOM 426 CZ TYR A 39 -29.803 -5.606 -4.901 1.00 0.00 C ATOM 427 OH TYR A 39 -30.904 -5.825 -5.699 1.00 0.00 O ATOM 0 H TYR A 39 -27.108 -2.859 -1.647 1.00 0.00 H new ATOM 0 HA TYR A 39 -27.395 -5.485 -0.690 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -25.689 -4.216 -2.874 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -25.673 -5.943 -2.581 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -27.831 -7.252 -2.697 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -27.310 -3.349 -4.390 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -30.093 -7.393 -3.737 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -29.480 -3.587 -5.595 1.00 0.00 H new ATOM 0 HH TYR A 39 -31.019 -5.069 -6.312 1.00 0.00 H new ATOM 437 N VAL A 40 -24.492 -4.143 0.006 1.00 0.00 N ATOM 438 CA VAL A 40 -23.302 -4.316 0.843 1.00 0.00 C ATOM 439 C VAL A 40 -23.700 -4.485 2.307 1.00 0.00 C ATOM 440 O VAL A 40 -23.148 -5.323 3.012 1.00 0.00 O ATOM 441 CB VAL A 40 -22.343 -3.129 0.720 1.00 0.00 C ATOM 442 CG1 VAL A 40 -21.198 -3.272 1.729 1.00 0.00 C ATOM 443 CG2 VAL A 40 -21.759 -3.058 -0.693 1.00 0.00 C ATOM 0 H VAL A 40 -24.552 -3.236 -0.457 1.00 0.00 H new ATOM 0 HA VAL A 40 -22.791 -5.212 0.491 1.00 0.00 H new ATOM 0 HB VAL A 40 -22.901 -2.215 0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -20.521 -2.423 1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.605 -3.300 2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.652 -4.195 1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -21.079 -2.209 -0.764 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -21.214 -3.977 -0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -22.567 -2.937 -1.415 1.00 0.00 H new ATOM 453 N GLU A 41 -24.641 -3.662 2.760 1.00 0.00 N ATOM 454 CA GLU A 41 -25.049 -3.675 4.158 1.00 0.00 C ATOM 455 C GLU A 41 -25.570 -5.068 4.503 1.00 0.00 C ATOM 456 O GLU A 41 -25.151 -5.643 5.506 1.00 0.00 O ATOM 457 CB GLU A 41 -26.148 -2.624 4.387 1.00 0.00 C ATOM 458 CG GLU A 41 -26.684 -2.676 5.826 1.00 0.00 C ATOM 459 CD GLU A 41 -25.667 -2.224 6.879 1.00 0.00 C ATOM 460 OE1 GLU A 41 -24.817 -1.408 6.556 1.00 0.00 O ATOM 461 OE2 GLU A 41 -25.993 -2.382 8.044 1.00 0.00 O ATOM 0 H GLU A 41 -25.133 -2.981 2.181 1.00 0.00 H new ATOM 0 HA GLU A 41 -24.200 -3.434 4.798 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -25.751 -1.630 4.181 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -26.966 -2.792 3.686 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -27.571 -2.047 5.897 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -26.998 -3.695 6.051 1.00 0.00 H new ATOM 468 N LEU A 42 -26.241 -5.688 3.535 1.00 0.00 N ATOM 469 CA LEU A 42 -26.569 -7.113 3.591 1.00 0.00 C ATOM 470 C LEU A 42 -25.351 -8.032 3.635 1.00 0.00 C ATOM 471 O LEU A 42 -25.287 -8.905 4.488 1.00 0.00 O ATOM 472 CB LEU A 42 -27.406 -7.411 2.334 1.00 0.00 C ATOM 473 CG LEU A 42 -27.709 -8.899 2.121 1.00 0.00 C ATOM 474 CD1 LEU A 42 -28.509 -9.491 3.288 1.00 0.00 C ATOM 475 CD2 LEU A 42 -28.509 -9.032 0.819 1.00 0.00 C ATOM 0 H LEU A 42 -26.572 -5.220 2.692 1.00 0.00 H new ATOM 0 HA LEU A 42 -27.106 -7.313 4.518 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -28.347 -6.865 2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -26.877 -7.030 1.460 1.00 0.00 H new ATOM 0 HG LEU A 42 -26.771 -9.451 2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -28.703 -10.547 3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -27.938 -9.387 4.210 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -29.456 -8.960 3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -28.740 -10.082 0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -29.436 -8.465 0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -27.920 -8.643 -0.011 1.00 0.00 H new ATOM 487 N ALA A 43 -24.334 -7.774 2.817 1.00 0.00 N ATOM 488 CA ALA A 43 -23.154 -8.636 2.841 1.00 0.00 C ATOM 489 C ALA A 43 -22.373 -8.551 4.154 1.00 0.00 C ATOM 490 O ALA A 43 -21.897 -9.563 4.670 1.00 0.00 O ATOM 491 CB ALA A 43 -22.231 -8.260 1.678 1.00 0.00 C ATOM 0 H ALA A 43 -24.300 -7.003 2.150 1.00 0.00 H new ATOM 0 HA ALA A 43 -23.506 -9.663 2.746 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -21.349 -8.900 1.692 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -22.761 -8.393 0.735 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -21.925 -7.219 1.778 1.00 0.00 H new ATOM 497 N LEU A 44 -22.207 -7.329 4.663 1.00 0.00 N ATOM 498 CA LEU A 44 -21.581 -7.075 5.958 1.00 0.00 C ATOM 499 C LEU A 44 -22.373 -7.655 7.127 1.00 0.00 C ATOM 500 O LEU A 44 -21.780 -8.127 8.099 1.00 0.00 O ATOM 501 CB LEU A 44 -21.317 -5.576 6.134 1.00 0.00 C ATOM 502 CG LEU A 44 -20.002 -5.188 5.441 1.00 0.00 C ATOM 503 CD1 LEU A 44 -20.045 -5.515 3.945 1.00 0.00 C ATOM 504 CD2 LEU A 44 -19.741 -3.687 5.634 1.00 0.00 C ATOM 0 H LEU A 44 -22.507 -6.481 4.182 1.00 0.00 H new ATOM 0 HA LEU A 44 -20.625 -7.599 5.965 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -22.142 -5.001 5.714 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -21.265 -5.330 7.195 1.00 0.00 H new ATOM 0 HG LEU A 44 -19.195 -5.766 5.893 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -19.100 -5.229 3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -20.205 -6.585 3.811 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -20.860 -4.964 3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -18.808 -3.414 5.142 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -20.561 -3.116 5.199 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -19.668 -3.464 6.699 1.00 0.00 H new ATOM 516 N LEU A 45 -23.700 -7.531 7.082 1.00 0.00 N ATOM 517 CA LEU A 45 -24.559 -8.092 8.123 1.00 0.00 C ATOM 518 C LEU A 45 -24.409 -9.608 8.141 1.00 0.00 C ATOM 519 O LEU A 45 -24.206 -10.205 9.183 1.00 0.00 O ATOM 520 CB LEU A 45 -26.028 -7.720 7.892 1.00 0.00 C ATOM 521 CG LEU A 45 -26.911 -8.303 9.000 1.00 0.00 C ATOM 522 CD1 LEU A 45 -26.446 -7.802 10.370 1.00 0.00 C ATOM 523 CD2 LEU A 45 -28.369 -7.892 8.769 1.00 0.00 C ATOM 0 H LEU A 45 -24.202 -7.048 6.337 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.252 -7.676 9.083 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -26.135 -6.636 7.867 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -26.356 -8.095 6.923 1.00 0.00 H new ATOM 0 HG LEU A 45 -26.831 -9.390 8.977 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -27.083 -8.225 11.147 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -25.414 -8.110 10.539 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -26.510 -6.714 10.400 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -28.994 -8.309 9.559 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -28.447 -6.805 8.780 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -28.705 -8.270 7.803 1.00 0.00 H new ATOM 535 N VAL A 46 -24.345 -10.184 6.948 1.00 0.00 N ATOM 536 CA VAL A 46 -24.120 -11.619 6.805 1.00 0.00 C ATOM 537 C VAL A 46 -22.766 -11.994 7.410 1.00 0.00 C ATOM 538 O VAL A 46 -22.650 -13.026 8.070 1.00 0.00 O ATOM 539 CB VAL A 46 -24.185 -12.007 5.323 1.00 0.00 C ATOM 540 CG1 VAL A 46 -23.754 -13.462 5.116 1.00 0.00 C ATOM 541 CG2 VAL A 46 -25.621 -11.829 4.818 1.00 0.00 C ATOM 0 H VAL A 46 -24.445 -9.682 6.066 1.00 0.00 H new ATOM 0 HA VAL A 46 -24.897 -12.166 7.339 1.00 0.00 H new ATOM 0 HB VAL A 46 -23.505 -11.363 4.766 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -23.810 -13.711 4.056 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -22.730 -13.591 5.466 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -24.415 -14.121 5.678 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -25.673 -12.104 3.764 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -26.291 -12.468 5.393 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -25.922 -10.788 4.937 1.00 0.00 H new ATOM 551 N GLN A 47 -21.742 -11.195 7.126 1.00 0.00 N ATOM 552 CA GLN A 47 -20.386 -11.514 7.557 1.00 0.00 C ATOM 553 C GLN A 47 -20.279 -11.597 9.085 1.00 0.00 C ATOM 554 O GLN A 47 -19.645 -12.524 9.607 1.00 0.00 O ATOM 555 CB GLN A 47 -19.464 -10.387 7.078 1.00 0.00 C ATOM 556 CG GLN A 47 -18.009 -10.653 7.467 1.00 0.00 C ATOM 557 CD GLN A 47 -17.144 -9.477 7.028 1.00 0.00 C ATOM 558 OE1 GLN A 47 -16.121 -9.684 6.247 1.00 0.00 O flip ATOM 559 NE2 GLN A 47 -17.346 -8.354 7.487 1.00 0.00 N flip ATOM 0 H GLN A 47 -21.825 -10.325 6.601 1.00 0.00 H new ATOM 0 HA GLN A 47 -20.108 -12.482 7.140 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -19.540 -10.288 5.995 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -19.790 -9.440 7.509 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -17.929 -10.795 8.545 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -17.658 -11.572 6.998 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -18.146 -8.189 8.098 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -16.714 -7.587 7.256 1.00 0.00 H new ATOM 568 N GLN A 48 -20.858 -10.634 9.808 1.00 0.00 N ATOM 569 CA GLN A 48 -20.874 -10.698 11.266 1.00 0.00 C ATOM 570 C GLN A 48 -21.724 -11.856 11.788 1.00 0.00 C ATOM 571 O GLN A 48 -21.314 -12.557 12.710 1.00 0.00 O ATOM 572 CB GLN A 48 -21.315 -9.358 11.872 1.00 0.00 C ATOM 573 CG GLN A 48 -22.755 -9.009 11.485 1.00 0.00 C ATOM 574 CD GLN A 48 -23.137 -7.659 12.080 1.00 0.00 C ATOM 575 OE1 GLN A 48 -22.421 -6.680 11.878 1.00 0.00 O ATOM 576 NE2 GLN A 48 -24.007 -7.620 13.058 1.00 0.00 N ATOM 0 H GLN A 48 -21.315 -9.813 9.411 1.00 0.00 H new ATOM 0 HA GLN A 48 -19.851 -10.893 11.589 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -21.231 -9.404 12.958 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -20.645 -8.567 11.534 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -22.852 -8.979 10.400 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -23.435 -9.781 11.845 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -24.608 -8.424 13.238 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -24.084 -6.786 13.640 1.00 0.00 H new ATOM 585 N LYS A 49 -22.882 -12.073 11.166 1.00 0.00 N ATOM 586 CA LYS A 49 -23.780 -13.145 11.591 1.00 0.00 C ATOM 587 C LYS A 49 -23.155 -14.527 11.407 1.00 0.00 C ATOM 588 O LYS A 49 -23.373 -15.415 12.229 1.00 0.00 O ATOM 589 CB LYS A 49 -25.099 -13.079 10.817 1.00 0.00 C ATOM 590 CG LYS A 49 -25.895 -11.810 11.134 1.00 0.00 C ATOM 591 CD LYS A 49 -26.378 -11.798 12.585 1.00 0.00 C ATOM 592 CE LYS A 49 -27.173 -10.519 12.853 1.00 0.00 C ATOM 593 NZ LYS A 49 -27.647 -10.515 14.266 1.00 0.00 N ATOM 0 H LYS A 49 -23.218 -11.526 10.373 1.00 0.00 H new ATOM 0 HA LYS A 49 -23.968 -12.997 12.654 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -24.893 -13.118 9.747 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -25.703 -13.954 11.057 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -25.273 -10.934 10.949 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -26.752 -11.740 10.464 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -27.000 -12.672 12.779 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -25.526 -11.857 13.263 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -26.550 -9.645 12.665 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -28.023 -10.457 12.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -28.188 -9.645 14.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -28.256 -11.342 14.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -26.829 -10.555 14.907 1.00 0.00 H new ATOM 607 N ALA A 50 -22.485 -14.723 10.271 1.00 0.00 N ATOM 608 CA ALA A 50 -21.720 -15.940 10.018 1.00 0.00 C ATOM 609 C ALA A 50 -20.433 -15.958 10.839 1.00 0.00 C ATOM 610 O ALA A 50 -19.800 -17.008 10.979 1.00 0.00 O ATOM 611 CB ALA A 50 -21.369 -16.022 8.534 1.00 0.00 C ATOM 0 H ALA A 50 -22.458 -14.048 9.507 1.00 0.00 H new ATOM 0 HA ALA A 50 -22.331 -16.795 10.308 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -20.798 -16.931 8.345 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -22.285 -16.040 7.944 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -20.773 -15.154 8.253 1.00 0.00 H new ATOM 617 N LYS A 51 -20.068 -14.809 11.408 1.00 0.00 N ATOM 618 CA LYS A 51 -18.889 -14.723 12.265 1.00 0.00 C ATOM 619 C LYS A 51 -17.660 -15.325 11.584 1.00 0.00 C ATOM 620 O LYS A 51 -16.790 -15.864 12.262 1.00 0.00 O ATOM 621 CB LYS A 51 -19.157 -15.385 13.623 1.00 0.00 C ATOM 622 CG LYS A 51 -18.542 -14.536 14.738 1.00 0.00 C ATOM 623 CD LYS A 51 -18.924 -15.100 16.108 1.00 0.00 C ATOM 624 CE LYS A 51 -18.293 -14.240 17.208 1.00 0.00 C ATOM 625 NZ LYS A 51 -18.663 -14.796 18.542 1.00 0.00 N ATOM 0 H LYS A 51 -20.570 -13.929 11.291 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.677 -13.668 12.441 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.230 -15.490 13.782 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -18.732 -16.389 13.640 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -17.457 -14.518 14.634 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -18.887 -13.506 14.652 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -20.008 -15.113 16.218 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -18.582 -16.131 16.197 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.209 -14.224 17.096 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -18.638 -13.209 17.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -18.236 -14.214 19.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -19.698 -14.790 18.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -18.313 -15.772 18.620 1.00 0.00 H new ATOM 639 N VAL A 52 -17.446 -14.931 10.331 1.00 0.00 N ATOM 640 CA VAL A 52 -16.275 -15.370 9.580 1.00 0.00 C ATOM 641 C VAL A 52 -15.420 -14.167 9.204 1.00 0.00 C ATOM 642 O VAL A 52 -15.942 -13.122 8.822 1.00 0.00 O ATOM 643 CB VAL A 52 -16.705 -16.120 8.308 1.00 0.00 C ATOM 644 CG1 VAL A 52 -17.319 -17.477 8.680 1.00 0.00 C ATOM 645 CG2 VAL A 52 -17.712 -15.294 7.493 1.00 0.00 C ATOM 0 H VAL A 52 -18.068 -14.309 9.815 1.00 0.00 H new ATOM 0 HA VAL A 52 -15.692 -16.045 10.206 1.00 0.00 H new ATOM 0 HB VAL A 52 -15.820 -16.281 7.693 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -17.621 -18.001 7.773 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -16.582 -18.075 9.216 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -18.191 -17.320 9.315 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -17.999 -15.848 6.599 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -18.597 -15.099 8.098 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -17.256 -14.348 7.202 1.00 0.00 H new ATOM 655 N LYS A 53 -14.125 -14.271 9.489 1.00 0.00 N ATOM 656 CA LYS A 53 -13.176 -13.257 9.053 1.00 0.00 C ATOM 657 C LYS A 53 -12.637 -13.620 7.674 1.00 0.00 C ATOM 658 O LYS A 53 -12.211 -14.756 7.449 1.00 0.00 O ATOM 659 CB LYS A 53 -12.059 -13.147 10.096 1.00 0.00 C ATOM 660 CG LYS A 53 -11.095 -12.016 9.734 1.00 0.00 C ATOM 661 CD LYS A 53 -10.019 -11.886 10.820 1.00 0.00 C ATOM 662 CE LYS A 53 -9.051 -10.745 10.479 1.00 0.00 C ATOM 663 NZ LYS A 53 -8.042 -10.615 11.569 1.00 0.00 N ATOM 0 H LYS A 53 -13.713 -15.041 10.016 1.00 0.00 H new ATOM 0 HA LYS A 53 -13.661 -12.285 8.968 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.490 -12.964 11.080 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.516 -14.090 10.156 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.629 -12.217 8.769 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.641 -11.078 9.635 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.488 -11.697 11.785 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.469 -12.823 10.911 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.554 -10.945 9.530 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.599 -9.810 10.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.384 -9.843 11.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.525 -10.406 12.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.513 -11.506 11.660 1.00 0.00 H new ATOM 677 N ILE A 54 -12.642 -12.640 6.777 1.00 0.00 N ATOM 678 CA ILE A 54 -12.099 -12.820 5.437 1.00 0.00 C ATOM 679 C ILE A 54 -10.936 -11.855 5.221 1.00 0.00 C ATOM 680 O ILE A 54 -10.819 -10.877 5.954 1.00 0.00 O ATOM 681 CB ILE A 54 -13.177 -12.584 4.367 1.00 0.00 C ATOM 682 CG1 ILE A 54 -14.408 -11.858 4.939 1.00 0.00 C ATOM 683 CG2 ILE A 54 -13.596 -13.934 3.783 1.00 0.00 C ATOM 684 CD1 ILE A 54 -15.491 -11.662 3.869 1.00 0.00 C ATOM 0 H ILE A 54 -13.018 -11.709 6.956 1.00 0.00 H new ATOM 0 HA ILE A 54 -11.746 -13.847 5.344 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.756 -11.945 3.591 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.816 -12.432 5.771 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.108 -10.889 5.337 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -14.361 -13.780 3.022 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -12.730 -14.421 3.334 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.996 -14.565 4.577 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -16.346 -11.146 4.307 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -15.089 -11.067 3.049 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -15.808 -12.634 3.490 1.00 0.00 H new ATOM 696 N PRO A 55 -10.025 -12.150 4.264 1.00 0.00 N ATOM 697 CA PRO A 55 -8.750 -11.383 4.157 1.00 0.00 C ATOM 698 C PRO A 55 -8.969 -9.876 4.042 1.00 0.00 C ATOM 699 O PRO A 55 -9.059 -9.189 5.058 1.00 0.00 O ATOM 700 CB PRO A 55 -8.111 -11.996 2.903 1.00 0.00 C ATOM 701 CG PRO A 55 -8.496 -13.436 2.962 1.00 0.00 C ATOM 702 CD PRO A 55 -9.880 -13.469 3.610 1.00 0.00 C ATOM 0 HA PRO A 55 -8.121 -11.462 5.044 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.482 -11.522 1.995 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.028 -11.873 2.907 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.520 -13.876 1.965 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.777 -14.010 3.546 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.661 -13.629 2.866 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.958 -14.280 4.334 1.00 0.00 H new ATOM 710 N ARG A 56 -8.855 -9.342 2.834 1.00 0.00 N ATOM 711 CA ARG A 56 -9.083 -7.919 2.611 1.00 0.00 C ATOM 712 C ARG A 56 -10.418 -7.659 1.904 1.00 0.00 C ATOM 713 O ARG A 56 -10.717 -6.506 1.587 1.00 0.00 O ATOM 714 CB ARG A 56 -7.884 -7.369 1.829 1.00 0.00 C ATOM 715 CG ARG A 56 -6.642 -7.478 2.730 1.00 0.00 C ATOM 716 CD ARG A 56 -5.381 -7.048 1.980 1.00 0.00 C ATOM 717 NE ARG A 56 -5.441 -5.633 1.662 1.00 0.00 N ATOM 718 CZ ARG A 56 -4.497 -5.047 0.926 1.00 0.00 C ATOM 719 NH1 ARG A 56 -3.581 -5.762 0.322 1.00 0.00 N ATOM 720 NH2 ARG A 56 -4.524 -3.749 0.759 1.00 0.00 N ATOM 0 H ARG A 56 -8.607 -9.869 1.996 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.161 -7.397 3.565 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.738 -7.933 0.908 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.058 -6.332 1.543 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.774 -6.854 3.614 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.530 -8.505 3.078 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.500 -7.254 2.588 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.279 -7.629 1.064 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.222 -5.076 2.009 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.585 -6.778 0.412 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.863 -5.303 -0.239 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.263 -3.195 1.191 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.806 -3.292 0.197 1.00 0.00 H new ATOM 734 N LYS A 57 -11.147 -8.713 1.526 1.00 0.00 N ATOM 735 CA LYS A 57 -12.172 -8.575 0.492 1.00 0.00 C ATOM 736 C LYS A 57 -13.317 -7.639 0.872 1.00 0.00 C ATOM 737 O LYS A 57 -13.914 -7.036 -0.012 1.00 0.00 O ATOM 738 CB LYS A 57 -12.833 -9.924 0.202 1.00 0.00 C ATOM 739 CG LYS A 57 -11.883 -10.913 -0.482 1.00 0.00 C ATOM 740 CD LYS A 57 -12.614 -12.246 -0.718 1.00 0.00 C ATOM 741 CE LYS A 57 -11.703 -13.243 -1.445 1.00 0.00 C ATOM 742 NZ LYS A 57 -12.435 -14.527 -1.652 1.00 0.00 N ATOM 0 H LYS A 57 -11.049 -9.652 1.912 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.634 -8.169 -0.365 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.191 -10.357 1.136 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.706 -9.768 -0.432 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.536 -10.503 -1.431 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.001 -11.074 0.138 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.932 -12.666 0.236 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.515 -12.073 -1.307 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.389 -12.832 -2.405 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.799 -13.418 -0.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.817 -15.203 -2.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.713 -14.920 -0.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.285 -14.353 -2.225 1.00 0.00 H new ATOM 756 N TRP A 58 -13.833 -7.779 2.094 1.00 0.00 N ATOM 757 CA TRP A 58 -14.843 -6.840 2.577 1.00 0.00 C ATOM 758 C TRP A 58 -14.281 -5.791 3.536 1.00 0.00 C ATOM 759 O TRP A 58 -14.662 -4.631 3.461 1.00 0.00 O ATOM 760 CB TRP A 58 -15.975 -7.610 3.266 1.00 0.00 C ATOM 761 CG TRP A 58 -17.136 -7.755 2.329 1.00 0.00 C ATOM 762 CD1 TRP A 58 -17.575 -8.916 1.790 1.00 0.00 C ATOM 763 CD2 TRP A 58 -17.827 -6.698 1.602 1.00 0.00 C ATOM 764 NE1 TRP A 58 -18.661 -8.639 0.977 1.00 0.00 N ATOM 765 CE2 TRP A 58 -18.846 -7.281 0.804 1.00 0.00 C ATOM 766 CE3 TRP A 58 -17.601 -5.314 1.491 1.00 0.00 C ATOM 767 CZ2 TRP A 58 -19.531 -6.520 -0.151 1.00 0.00 C ATOM 768 CZ3 TRP A 58 -18.196 -4.586 0.449 1.00 0.00 C ATOM 769 CH2 TRP A 58 -19.114 -5.207 -0.405 1.00 0.00 C ATOM 0 H TRP A 58 -13.576 -8.515 2.752 1.00 0.00 H new ATOM 0 HA TRP A 58 -15.217 -6.304 1.705 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -15.622 -8.593 3.576 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -16.288 -7.084 4.168 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -17.150 -9.893 1.964 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -19.255 -9.353 0.555 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -16.969 -4.811 2.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -20.370 -6.940 -0.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -17.945 -3.545 0.306 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -19.501 -4.674 -1.261 1.00 0.00 H new ATOM 780 N LYS A 59 -13.268 -6.172 4.314 1.00 0.00 N ATOM 781 CA LYS A 59 -12.729 -5.320 5.375 1.00 0.00 C ATOM 782 C LYS A 59 -12.103 -4.053 4.793 1.00 0.00 C ATOM 783 O LYS A 59 -12.071 -3.008 5.444 1.00 0.00 O ATOM 784 CB LYS A 59 -11.731 -6.126 6.205 1.00 0.00 C ATOM 785 CG LYS A 59 -11.213 -5.313 7.387 1.00 0.00 C ATOM 786 CD LYS A 59 -10.304 -6.216 8.220 1.00 0.00 C ATOM 787 CE LYS A 59 -9.776 -5.472 9.443 1.00 0.00 C ATOM 788 NZ LYS A 59 -8.855 -4.388 9.000 1.00 0.00 N ATOM 0 H LYS A 59 -12.800 -7.074 4.228 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.537 -4.993 6.030 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -12.207 -7.037 6.568 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.895 -6.432 5.576 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.664 -4.439 7.037 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.043 -4.947 7.991 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.855 -7.101 8.537 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.469 -6.561 7.610 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.605 -5.051 10.013 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.252 -6.162 10.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.302 -4.048 9.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.210 -4.756 8.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.409 -3.601 8.605 1.00 0.00 H new ATOM 802 N ARG A 60 -11.347 -4.250 3.714 1.00 0.00 N ATOM 803 CA ARG A 60 -10.591 -3.178 3.076 1.00 0.00 C ATOM 804 C ARG A 60 -11.330 -2.541 1.899 1.00 0.00 C ATOM 805 O ARG A 60 -10.775 -1.668 1.233 1.00 0.00 O ATOM 806 CB ARG A 60 -9.247 -3.733 2.591 1.00 0.00 C ATOM 807 CG ARG A 60 -8.376 -4.158 3.772 1.00 0.00 C ATOM 808 CD ARG A 60 -7.973 -2.937 4.597 1.00 0.00 C ATOM 809 NE ARG A 60 -7.098 -3.343 5.686 1.00 0.00 N ATOM 810 CZ ARG A 60 -7.095 -2.724 6.868 1.00 0.00 C ATOM 811 NH1 ARG A 60 -7.758 -1.606 7.036 1.00 0.00 N ATOM 812 NH2 ARG A 60 -6.141 -2.976 7.727 1.00 0.00 N ATOM 0 H ARG A 60 -11.243 -5.157 3.259 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.448 -2.396 3.822 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.417 -4.586 1.934 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.727 -2.976 2.004 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.920 -4.866 4.398 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.485 -4.671 3.410 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.466 -2.210 3.963 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.861 -2.447 4.996 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.464 -4.129 5.541 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -8.282 -1.202 6.260 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.750 -1.140 7.943 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.405 -3.642 7.491 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.133 -2.506 8.632 1.00 0.00 H new ATOM 826 N ARG A 61 -12.512 -3.066 1.567 1.00 0.00 N ATOM 827 CA ARG A 61 -13.237 -2.622 0.380 1.00 0.00 C ATOM 828 C ARG A 61 -14.600 -2.041 0.750 1.00 0.00 C ATOM 829 O ARG A 61 -15.554 -2.239 0.005 1.00 0.00 O ATOM 830 CB ARG A 61 -13.417 -3.791 -0.597 1.00 0.00 C ATOM 831 CG ARG A 61 -12.060 -4.192 -1.182 1.00 0.00 C ATOM 832 CD ARG A 61 -12.223 -5.357 -2.158 1.00 0.00 C ATOM 833 NE ARG A 61 -10.910 -5.731 -2.686 1.00 0.00 N ATOM 834 CZ ARG A 61 -10.758 -6.495 -3.768 1.00 0.00 C ATOM 835 NH1 ARG A 61 -11.816 -6.972 -4.376 1.00 0.00 N ATOM 836 NH2 ARG A 61 -9.590 -7.047 -4.004 1.00 0.00 N ATOM 0 H ARG A 61 -12.983 -3.795 2.102 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.650 -1.838 -0.098 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.867 -4.640 -0.083 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.099 -3.506 -1.398 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.612 -3.341 -1.694 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.380 -4.475 -0.379 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.681 -6.208 -1.654 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.889 -5.073 -2.973 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.076 -5.393 -2.206 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.748 -6.758 -4.021 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.708 -7.557 -5.204 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.812 -6.889 -3.363 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.460 -7.634 -4.828 1.00 0.00 H new ATOM 850 N TYR A 62 -14.678 -1.247 1.824 1.00 0.00 N ATOM 851 CA TYR A 62 -15.976 -0.704 2.211 1.00 0.00 C ATOM 852 C TYR A 62 -15.860 0.660 2.892 1.00 0.00 C ATOM 853 O TYR A 62 -14.779 1.065 3.310 1.00 0.00 O ATOM 854 CB TYR A 62 -16.718 -1.684 3.133 1.00 0.00 C ATOM 855 CG TYR A 62 -16.289 -1.549 4.579 1.00 0.00 C ATOM 856 CD1 TYR A 62 -15.127 -2.197 5.038 1.00 0.00 C ATOM 857 CD2 TYR A 62 -17.237 -1.101 5.511 1.00 0.00 C ATOM 858 CE1 TYR A 62 -14.818 -2.162 6.409 1.00 0.00 C ATOM 859 CE2 TYR A 62 -16.919 -1.047 6.864 1.00 0.00 C ATOM 860 CZ TYR A 62 -15.739 -1.635 7.325 1.00 0.00 C ATOM 861 OH TYR A 62 -15.454 -1.657 8.675 1.00 0.00 O ATOM 0 H TYR A 62 -13.892 -0.977 2.416 1.00 0.00 H new ATOM 0 HA TYR A 62 -16.545 -0.565 1.291 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -17.791 -1.509 3.057 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -16.536 -2.705 2.796 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -14.480 -2.715 4.345 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -18.218 -0.797 5.177 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -13.869 -2.542 6.757 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -17.583 -0.551 7.557 1.00 0.00 H new ATOM 0 HH TYR A 62 -16.195 -1.252 9.172 1.00 0.00 H new ATOM 871 N CYS A 63 -16.985 1.371 2.968 1.00 0.00 N ATOM 872 CA CYS A 63 -17.054 2.627 3.704 1.00 0.00 C ATOM 873 C CYS A 63 -17.274 2.407 5.199 1.00 0.00 C ATOM 874 O CYS A 63 -18.105 1.596 5.593 1.00 0.00 O ATOM 875 CB CYS A 63 -18.191 3.504 3.161 1.00 0.00 C ATOM 876 SG CYS A 63 -17.745 5.257 3.316 1.00 0.00 S ATOM 0 H CYS A 63 -17.862 1.095 2.526 1.00 0.00 H new ATOM 0 HA CYS A 63 -16.094 3.125 3.566 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -18.384 3.260 2.116 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -19.111 3.304 3.710 1.00 0.00 H new ATOM 0 HG CYS A 63 -18.139 5.900 2.257 1.00 0.00 H new ATOM 881 N LYS A 64 -16.775 3.358 5.988 1.00 0.00 N ATOM 882 CA LYS A 64 -16.872 3.267 7.438 1.00 0.00 C ATOM 883 C LYS A 64 -18.317 3.287 7.933 1.00 0.00 C ATOM 884 O LYS A 64 -18.616 2.644 8.941 1.00 0.00 O ATOM 885 CB LYS A 64 -16.119 4.417 8.113 1.00 0.00 C ATOM 886 CG LYS A 64 -14.609 4.255 7.921 1.00 0.00 C ATOM 887 CD LYS A 64 -13.909 5.425 8.616 1.00 0.00 C ATOM 888 CE LYS A 64 -12.390 5.289 8.463 1.00 0.00 C ATOM 889 NZ LYS A 64 -11.723 6.431 9.143 1.00 0.00 N ATOM 0 H LYS A 64 -16.302 4.195 5.646 1.00 0.00 H new ATOM 0 HA LYS A 64 -16.423 2.310 7.705 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -16.445 5.369 7.693 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -16.356 4.440 9.177 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.272 3.307 8.341 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.360 4.240 6.860 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -14.244 6.368 8.185 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.177 5.445 9.672 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.052 4.347 8.894 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.119 5.271 7.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.692 6.342 9.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.038 7.324 8.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.973 6.428 10.153 1.00 0.00 H new ATOM 903 N LYS A 65 -19.172 4.116 7.326 1.00 0.00 N ATOM 904 CA LYS A 65 -20.570 4.189 7.761 1.00 0.00 C ATOM 905 C LYS A 65 -21.606 3.870 6.679 1.00 0.00 C ATOM 906 O LYS A 65 -22.767 3.638 7.009 1.00 0.00 O ATOM 907 CB LYS A 65 -20.866 5.545 8.407 1.00 0.00 C ATOM 908 CG LYS A 65 -20.814 6.712 7.411 1.00 0.00 C ATOM 909 CD LYS A 65 -21.080 8.004 8.189 1.00 0.00 C ATOM 910 CE LYS A 65 -21.057 9.218 7.265 1.00 0.00 C ATOM 911 NZ LYS A 65 -21.325 10.449 8.063 1.00 0.00 N ATOM 0 H LYS A 65 -18.929 4.732 6.550 1.00 0.00 H new ATOM 0 HA LYS A 65 -20.676 3.393 8.498 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -21.853 5.513 8.868 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -20.146 5.725 9.206 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -19.841 6.754 6.922 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -21.559 6.578 6.627 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -22.048 7.940 8.686 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -20.328 8.123 8.969 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -20.089 9.295 6.770 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -21.807 9.108 6.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -21.243 11.285 7.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -22.285 10.403 8.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -20.634 10.518 8.837 1.00 0.00 H new ATOM 925 N CYS A 66 -21.235 3.955 5.404 1.00 0.00 N ATOM 926 CA CYS A 66 -22.132 3.516 4.336 1.00 0.00 C ATOM 927 C CYS A 66 -22.296 2.011 4.270 1.00 0.00 C ATOM 928 O CYS A 66 -23.263 1.543 3.678 1.00 0.00 O ATOM 929 CB CYS A 66 -21.653 4.029 2.982 1.00 0.00 C ATOM 930 SG CYS A 66 -21.516 5.823 3.142 1.00 0.00 S ATOM 0 H CYS A 66 -20.336 4.317 5.087 1.00 0.00 H new ATOM 0 HA CYS A 66 -23.107 3.940 4.575 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -20.693 3.588 2.716 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -22.356 3.761 2.193 1.00 0.00 H new ATOM 0 HG CYS A 66 -20.262 6.164 3.140 1.00 0.00 H new ATOM 935 N HIS A 67 -21.203 1.310 4.552 1.00 0.00 N ATOM 936 CA HIS A 67 -21.188 -0.143 4.453 1.00 0.00 C ATOM 937 C HIS A 67 -21.374 -0.510 2.984 1.00 0.00 C ATOM 938 O HIS A 67 -22.489 -0.874 2.618 1.00 0.00 O ATOM 939 CB HIS A 67 -22.296 -0.746 5.325 1.00 0.00 C ATOM 940 CG HIS A 67 -22.028 -0.449 6.782 1.00 0.00 C ATOM 941 ND1 HIS A 67 -22.491 0.708 7.397 1.00 0.00 N ATOM 942 CD2 HIS A 67 -21.408 -1.165 7.780 1.00 0.00 C ATOM 943 CE1 HIS A 67 -22.160 0.645 8.697 1.00 0.00 C ATOM 944 NE2 HIS A 67 -21.393 -0.414 8.954 1.00 0.00 N ATOM 0 H HIS A 67 -20.319 1.724 4.850 1.00 0.00 H new ATOM 0 HA HIS A 67 -20.242 -0.546 4.814 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -23.263 -0.336 5.034 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -22.347 -1.824 5.169 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -22.993 1.470 6.942 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -20.996 -2.157 7.670 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -22.476 1.362 9.440 1.00 0.00 H new ATOM 953 N ALA A 68 -20.579 0.184 2.178 1.00 0.00 N ATOM 954 CA ALA A 68 -20.715 0.159 0.727 1.00 0.00 C ATOM 955 C ALA A 68 -19.350 -0.117 0.116 1.00 0.00 C ATOM 956 O ALA A 68 -18.371 0.466 0.571 1.00 0.00 O ATOM 957 CB ALA A 68 -21.261 1.490 0.202 1.00 0.00 C ATOM 0 H ALA A 68 -19.822 0.780 2.512 1.00 0.00 H new ATOM 0 HA ALA A 68 -21.420 -0.624 0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -21.352 1.443 -0.883 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -22.241 1.680 0.641 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -20.579 2.296 0.474 1.00 0.00 H new ATOM 963 N PHE A 69 -19.324 -0.725 -1.067 1.00 0.00 N ATOM 964 CA PHE A 69 -18.057 -1.157 -1.646 1.00 0.00 C ATOM 965 C PHE A 69 -17.220 0.083 -1.960 1.00 0.00 C ATOM 966 O PHE A 69 -17.790 1.119 -2.288 1.00 0.00 O ATOM 967 CB PHE A 69 -18.316 -1.955 -2.929 1.00 0.00 C ATOM 968 CG PHE A 69 -17.205 -2.950 -3.166 1.00 0.00 C ATOM 969 CD1 PHE A 69 -15.959 -2.476 -3.600 1.00 0.00 C ATOM 970 CD2 PHE A 69 -17.560 -4.288 -3.418 1.00 0.00 C ATOM 971 CE1 PHE A 69 -15.006 -3.367 -4.106 1.00 0.00 C ATOM 972 CE2 PHE A 69 -16.661 -5.136 -4.080 1.00 0.00 C ATOM 973 CZ PHE A 69 -15.364 -4.698 -4.360 1.00 0.00 C ATOM 0 H PHE A 69 -20.148 -0.926 -1.633 1.00 0.00 H new ATOM 0 HA PHE A 69 -17.523 -1.796 -0.943 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -19.270 -2.477 -2.853 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -18.391 -1.276 -3.778 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -15.734 -1.421 -3.544 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -18.523 -4.661 -3.102 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.998 -3.030 -4.300 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -16.971 -6.128 -4.374 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.639 -5.384 -4.772 1.00 0.00 H new ATOM 983 N LEU A 70 -15.959 0.099 -1.528 1.00 0.00 N ATOM 984 CA LEU A 70 -15.092 1.226 -1.863 1.00 0.00 C ATOM 985 C LEU A 70 -14.251 0.910 -3.094 1.00 0.00 C ATOM 986 O LEU A 70 -13.185 0.305 -2.998 1.00 0.00 O ATOM 987 CB LEU A 70 -14.204 1.603 -0.667 1.00 0.00 C ATOM 988 CG LEU A 70 -14.668 2.929 -0.043 1.00 0.00 C ATOM 989 CD1 LEU A 70 -14.361 4.088 -0.996 1.00 0.00 C ATOM 990 CD2 LEU A 70 -16.168 2.917 0.277 1.00 0.00 C ATOM 0 H LEU A 70 -15.526 -0.631 -0.963 1.00 0.00 H new ATOM 0 HA LEU A 70 -15.720 2.085 -2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -14.238 0.811 0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.167 1.691 -0.991 1.00 0.00 H new ATOM 0 HG LEU A 70 -14.125 3.059 0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -14.692 5.025 -0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -13.288 4.133 -1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.884 3.932 -1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -16.454 3.873 0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -16.734 2.755 -0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -16.383 2.115 0.983 1.00 0.00 H new ATOM 1002 N VAL A 71 -14.618 1.579 -4.184 1.00 0.00 N ATOM 1003 CA VAL A 71 -13.734 1.796 -5.322 1.00 0.00 C ATOM 1004 C VAL A 71 -13.852 3.256 -5.767 1.00 0.00 C ATOM 1005 O VAL A 71 -14.970 3.761 -5.888 1.00 0.00 O ATOM 1006 CB VAL A 71 -14.136 0.860 -6.468 1.00 0.00 C ATOM 1007 CG1 VAL A 71 -12.974 0.730 -7.453 1.00 0.00 C ATOM 1008 CG2 VAL A 71 -14.476 -0.539 -5.949 1.00 0.00 C ATOM 0 H VAL A 71 -15.545 1.988 -4.302 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.702 1.584 -5.041 1.00 0.00 H new ATOM 0 HB VAL A 71 -15.014 1.287 -6.953 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.260 0.065 -8.267 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.727 1.712 -7.856 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.105 0.321 -6.938 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.757 -1.179 -6.785 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.607 -0.961 -5.445 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -15.307 -0.474 -5.246 1.00 0.00 H new ATOM 1018 N PRO A 72 -12.740 3.963 -6.067 1.00 0.00 N ATOM 1019 CA PRO A 72 -12.822 5.292 -6.734 1.00 0.00 C ATOM 1020 C PRO A 72 -13.454 5.188 -8.115 1.00 0.00 C ATOM 1021 O PRO A 72 -13.107 4.310 -8.900 1.00 0.00 O ATOM 1022 CB PRO A 72 -11.377 5.786 -6.823 1.00 0.00 C ATOM 1023 CG PRO A 72 -10.599 4.954 -5.859 1.00 0.00 C ATOM 1024 CD PRO A 72 -11.355 3.629 -5.684 1.00 0.00 C ATOM 0 HA PRO A 72 -13.454 5.982 -6.174 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.989 5.676 -7.836 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.310 6.844 -6.569 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.591 4.775 -6.233 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.498 5.468 -4.903 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -10.942 2.845 -6.319 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.299 3.269 -4.657 1.00 0.00 H new ATOM 1032 N GLY A 73 -14.228 6.217 -8.437 1.00 0.00 N ATOM 1033 CA GLY A 73 -14.861 6.371 -9.740 1.00 0.00 C ATOM 1034 C GLY A 73 -16.296 5.842 -9.766 1.00 0.00 C ATOM 1035 O GLY A 73 -17.020 6.092 -10.736 1.00 0.00 O ATOM 0 H GLY A 73 -14.436 6.978 -7.791 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.862 7.425 -10.016 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.271 5.845 -10.490 1.00 0.00 H new ATOM 1039 N ILE A 74 -16.671 5.028 -8.777 1.00 0.00 N ATOM 1040 CA ILE A 74 -17.935 4.297 -8.854 1.00 0.00 C ATOM 1041 C ILE A 74 -18.977 4.823 -7.862 1.00 0.00 C ATOM 1042 O ILE A 74 -19.845 5.604 -8.254 1.00 0.00 O ATOM 1043 CB ILE A 74 -17.671 2.796 -8.659 1.00 0.00 C ATOM 1044 CG1 ILE A 74 -16.824 2.278 -9.835 1.00 0.00 C ATOM 1045 CG2 ILE A 74 -19.006 2.046 -8.567 1.00 0.00 C ATOM 1046 CD1 ILE A 74 -16.295 0.866 -9.557 1.00 0.00 C ATOM 0 H ILE A 74 -16.129 4.861 -7.929 1.00 0.00 H new ATOM 0 HA ILE A 74 -18.361 4.457 -9.844 1.00 0.00 H new ATOM 0 HB ILE A 74 -17.123 2.627 -7.732 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -17.425 2.272 -10.744 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -15.988 2.955 -10.010 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -18.817 0.982 -8.429 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -19.579 2.425 -7.721 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -19.572 2.197 -9.486 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -15.700 0.527 -10.405 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -15.674 0.880 -8.661 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -17.134 0.186 -9.407 1.00 0.00 H new ATOM 1058 N ASN A 75 -18.810 4.517 -6.571 1.00 0.00 N ATOM 1059 CA ASN A 75 -19.693 5.061 -5.535 1.00 0.00 C ATOM 1060 C ASN A 75 -19.010 6.217 -4.813 1.00 0.00 C ATOM 1061 O ASN A 75 -19.476 6.681 -3.770 1.00 0.00 O ATOM 1062 CB ASN A 75 -20.042 3.997 -4.494 1.00 0.00 C ATOM 1063 CG ASN A 75 -18.828 3.591 -3.667 1.00 0.00 C ATOM 1064 OD1 ASN A 75 -17.684 3.805 -4.081 1.00 0.00 O ATOM 1065 ND2 ASN A 75 -19.027 3.387 -2.395 1.00 0.00 N ATOM 0 H ASN A 75 -18.077 3.900 -6.221 1.00 0.00 H new ATOM 0 HA ASN A 75 -20.602 5.402 -6.030 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -20.821 4.378 -3.833 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -20.450 3.119 -4.995 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -18.240 3.405 -1.746 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -19.970 3.210 -2.048 1.00 0.00 H new ATOM 1072 N ALA A 76 -17.773 6.442 -5.229 1.00 0.00 N ATOM 1073 CA ALA A 76 -16.826 7.281 -4.509 1.00 0.00 C ATOM 1074 C ALA A 76 -15.803 7.758 -5.525 1.00 0.00 C ATOM 1075 O ALA A 76 -15.633 7.116 -6.549 1.00 0.00 O ATOM 1076 CB ALA A 76 -16.164 6.509 -3.361 1.00 0.00 C ATOM 0 H ALA A 76 -17.393 6.042 -6.087 1.00 0.00 H new ATOM 0 HA ALA A 76 -17.331 8.130 -4.048 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -15.462 7.161 -2.841 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -16.929 6.169 -2.663 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -15.630 5.647 -3.762 1.00 0.00 H new ATOM 1082 N ARG A 77 -15.215 8.920 -5.284 1.00 0.00 N ATOM 1083 CA ARG A 77 -14.218 9.469 -6.196 1.00 0.00 C ATOM 1084 C ARG A 77 -13.004 9.944 -5.409 1.00 0.00 C ATOM 1085 O ARG A 77 -13.146 10.460 -4.304 1.00 0.00 O ATOM 1086 CB ARG A 77 -14.825 10.589 -7.050 1.00 0.00 C ATOM 1087 CG ARG A 77 -13.881 10.914 -8.213 1.00 0.00 C ATOM 1088 CD ARG A 77 -14.509 11.974 -9.117 1.00 0.00 C ATOM 1089 NE ARG A 77 -14.663 13.222 -8.393 1.00 0.00 N ATOM 1090 CZ ARG A 77 -13.667 14.101 -8.353 1.00 0.00 C ATOM 1091 NH1 ARG A 77 -12.495 13.828 -8.872 1.00 0.00 N ATOM 1092 NH2 ARG A 77 -13.898 15.329 -7.976 1.00 0.00 N ATOM 0 H ARG A 77 -15.409 9.501 -4.468 1.00 0.00 H new ATOM 0 HA ARG A 77 -13.887 8.689 -6.882 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -15.798 10.282 -7.433 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -14.988 11.478 -6.441 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -12.926 11.272 -7.828 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -13.674 10.011 -8.787 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -13.884 12.130 -9.996 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -15.480 11.630 -9.474 1.00 0.00 H new ATOM 0 HE ARG A 77 -15.539 13.426 -7.913 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -12.333 12.925 -9.318 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -11.745 14.518 -8.830 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -14.842 15.613 -7.713 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -13.135 16.005 -7.945 1.00 0.00 H new ATOM 1106 N VAL A 78 -11.829 9.801 -6.009 1.00 0.00 N ATOM 1107 CA VAL A 78 -10.577 10.122 -5.345 1.00 0.00 C ATOM 1108 C VAL A 78 -9.808 11.127 -6.186 1.00 0.00 C ATOM 1109 O VAL A 78 -9.910 11.112 -7.409 1.00 0.00 O ATOM 1110 CB VAL A 78 -9.765 8.840 -5.148 1.00 0.00 C ATOM 1111 CG1 VAL A 78 -9.197 8.357 -6.484 1.00 0.00 C ATOM 1112 CG2 VAL A 78 -8.606 9.101 -4.183 1.00 0.00 C ATOM 0 H VAL A 78 -11.720 9.461 -6.964 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.771 10.563 -4.367 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.425 8.075 -4.738 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.622 7.444 -6.326 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.015 8.156 -7.176 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.549 9.126 -6.903 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.032 8.184 -4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.959 9.877 -4.593 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.000 9.428 -3.221 1.00 0.00 H new ATOM 1122 N ARG A 79 -9.312 12.151 -5.503 1.00 0.00 N ATOM 1123 CA ARG A 79 -8.411 13.110 -6.123 1.00 0.00 C ATOM 1124 C ARG A 79 -7.010 12.841 -5.602 1.00 0.00 C ATOM 1125 O ARG A 79 -6.826 12.598 -4.408 1.00 0.00 O ATOM 1126 CB ARG A 79 -8.825 14.542 -5.777 1.00 0.00 C ATOM 1127 CG ARG A 79 -7.926 15.544 -6.506 1.00 0.00 C ATOM 1128 CD ARG A 79 -8.301 16.967 -6.087 1.00 0.00 C ATOM 1129 NE ARG A 79 -9.658 17.291 -6.500 1.00 0.00 N ATOM 1130 CZ ARG A 79 -9.934 17.726 -7.729 1.00 0.00 C ATOM 1131 NH1 ARG A 79 -9.067 17.577 -8.701 1.00 0.00 N ATOM 1132 NH2 ARG A 79 -11.054 18.362 -7.942 1.00 0.00 N ATOM 0 H ARG A 79 -9.519 12.337 -4.522 1.00 0.00 H new ATOM 0 HA ARG A 79 -8.446 13.002 -7.207 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.866 14.705 -6.057 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -8.757 14.698 -4.700 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.880 15.348 -6.271 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -8.037 15.430 -7.584 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -8.213 17.067 -5.005 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.603 17.677 -6.531 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.419 17.182 -5.830 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -8.171 17.124 -8.520 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -9.288 17.914 -9.638 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.705 18.520 -7.173 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.278 18.701 -8.878 1.00 0.00 H new ATOM 1146 N LEU A 80 -6.051 12.782 -6.520 1.00 0.00 N ATOM 1147 CA LEU A 80 -4.676 12.489 -6.143 1.00 0.00 C ATOM 1148 C LEU A 80 -3.897 13.792 -6.240 1.00 0.00 C ATOM 1149 O LEU A 80 -3.894 14.438 -7.284 1.00 0.00 O ATOM 1150 CB LEU A 80 -4.101 11.442 -7.106 1.00 0.00 C ATOM 1151 CG LEU A 80 -4.991 10.190 -7.112 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -6.201 10.421 -8.030 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -4.201 8.969 -7.597 1.00 0.00 C ATOM 0 H LEU A 80 -6.199 12.931 -7.518 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.614 12.089 -5.131 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.036 11.857 -8.112 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.088 11.177 -6.805 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.334 10.001 -6.095 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.831 9.531 -8.033 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.777 11.272 -7.666 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.855 10.624 -9.044 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.848 8.092 -7.594 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.838 9.149 -8.609 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.354 8.797 -6.933 1.00 0.00 H new ATOM 1165 N ARG A 81 -3.266 14.176 -5.134 1.00 0.00 N ATOM 1166 CA ARG A 81 -2.502 15.418 -5.090 1.00 0.00 C ATOM 1167 C ARG A 81 -1.014 15.115 -4.976 1.00 0.00 C ATOM 1168 O ARG A 81 -0.597 14.434 -4.040 1.00 0.00 O ATOM 1169 CB ARG A 81 -2.983 16.313 -3.939 1.00 0.00 C ATOM 1170 CG ARG A 81 -4.407 16.806 -4.236 1.00 0.00 C ATOM 1171 CD ARG A 81 -4.946 17.664 -3.090 1.00 0.00 C ATOM 1172 NE ARG A 81 -6.307 18.099 -3.392 1.00 0.00 N ATOM 1173 CZ ARG A 81 -6.906 19.075 -2.706 1.00 0.00 C ATOM 1174 NH1 ARG A 81 -6.298 19.664 -1.711 1.00 0.00 N ATOM 1175 NH2 ARG A 81 -8.054 19.553 -3.112 1.00 0.00 N ATOM 0 H ARG A 81 -3.268 13.648 -4.261 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.666 15.964 -6.019 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.967 15.758 -3.001 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.310 17.162 -3.818 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.409 17.385 -5.159 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.065 15.951 -4.394 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.935 17.094 -2.161 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.303 18.531 -2.940 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.815 17.643 -4.150 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.354 19.379 -1.450 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.767 20.408 -1.195 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.493 19.180 -3.954 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -8.510 20.299 -2.587 1.00 0.00 H new ATOM 1189 N GLN A 82 -0.235 15.906 -5.709 1.00 0.00 N ATOM 1190 CA GLN A 82 1.217 15.812 -5.666 1.00 0.00 C ATOM 1191 C GLN A 82 1.826 17.082 -5.075 1.00 0.00 C ATOM 1192 O GLN A 82 1.540 18.202 -5.496 1.00 0.00 O ATOM 1193 CB GLN A 82 1.728 15.552 -7.083 1.00 0.00 C ATOM 1194 CG GLN A 82 1.272 14.158 -7.536 1.00 0.00 C ATOM 1195 CD GLN A 82 1.733 13.866 -8.961 1.00 0.00 C ATOM 1196 OE1 GLN A 82 2.459 14.658 -9.561 1.00 0.00 O ATOM 1197 NE2 GLN A 82 1.271 12.808 -9.574 1.00 0.00 N ATOM 0 H GLN A 82 -0.590 16.622 -6.343 1.00 0.00 H new ATOM 0 HA GLN A 82 1.517 14.988 -5.019 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.347 16.312 -7.765 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.816 15.618 -7.108 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.672 13.403 -6.859 1.00 0.00 H new ATOM 0 HG3 GLN A 82 0.185 14.092 -7.481 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.669 12.152 -9.076 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.512 12.638 -10.550 1.00 0.00 H new ATOM 1206 N LYS A 83 2.318 16.844 -3.868 1.00 0.00 N ATOM 1207 CA LYS A 83 3.198 17.718 -3.103 1.00 0.00 C ATOM 1208 C LYS A 83 4.291 16.781 -2.602 1.00 0.00 C ATOM 1209 O LYS A 83 4.150 15.572 -2.800 1.00 0.00 O ATOM 1210 CB LYS A 83 2.419 18.330 -1.932 1.00 0.00 C ATOM 1211 CG LYS A 83 1.333 19.270 -2.463 1.00 0.00 C ATOM 1212 CD LYS A 83 0.542 19.853 -1.291 1.00 0.00 C ATOM 1213 CE LYS A 83 -0.559 20.771 -1.824 1.00 0.00 C ATOM 1214 NZ LYS A 83 -1.334 21.315 -0.678 1.00 0.00 N ATOM 0 H LYS A 83 2.101 15.983 -3.365 1.00 0.00 H new ATOM 0 HA LYS A 83 3.601 18.550 -3.681 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.967 17.540 -1.332 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.098 18.877 -1.278 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.785 20.073 -3.045 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.665 18.729 -3.133 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.105 19.050 -0.698 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.207 20.410 -0.631 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.123 21.585 -2.403 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.217 20.219 -2.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.085 21.941 -1.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.760 20.531 -0.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.700 21.854 -0.055 1.00 0.00 H new ATOM 1228 N ARG A 84 5.417 17.258 -2.082 1.00 0.00 N ATOM 1229 CA ARG A 84 6.252 16.243 -1.455 1.00 0.00 C ATOM 1230 C ARG A 84 5.687 16.009 -0.055 1.00 0.00 C ATOM 1231 O ARG A 84 6.451 15.759 0.880 1.00 0.00 O ATOM 1232 CB ARG A 84 7.640 16.865 -1.273 1.00 0.00 C ATOM 1233 CG ARG A 84 8.298 17.259 -2.602 1.00 0.00 C ATOM 1234 CD ARG A 84 9.614 17.992 -2.312 1.00 0.00 C ATOM 1235 NE ARG A 84 10.606 17.115 -1.686 1.00 0.00 N ATOM 1236 CZ ARG A 84 11.782 17.562 -1.242 1.00 0.00 C ATOM 1237 NH1 ARG A 84 12.018 18.845 -1.201 1.00 0.00 N ATOM 1238 NH2 ARG A 84 12.534 16.769 -0.526 1.00 0.00 N ATOM 0 H ARG A 84 5.746 18.223 -2.076 1.00 0.00 H new ATOM 0 HA ARG A 84 6.288 15.324 -2.040 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.556 17.748 -0.639 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.284 16.157 -0.751 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.487 16.371 -3.206 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.630 17.900 -3.177 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.019 18.391 -3.242 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.419 18.842 -1.659 1.00 0.00 H new ATOM 0 HE ARG A 84 10.389 16.123 -1.586 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.304 19.505 -1.508 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.917 19.188 -0.862 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.219 15.822 -0.314 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.436 17.097 -0.180 1.00 0.00 H new ATOM 1252 N MET A 85 4.421 15.598 -0.044 1.00 0.00 N ATOM 1253 CA MET A 85 3.841 14.577 0.813 1.00 0.00 C ATOM 1254 C MET A 85 2.742 13.900 -0.002 1.00 0.00 C ATOM 1255 O MET A 85 1.849 14.620 -0.436 1.00 0.00 O ATOM 1256 CB MET A 85 3.256 15.323 2.024 1.00 0.00 C ATOM 1257 CG MET A 85 3.399 14.490 3.302 1.00 0.00 C ATOM 1258 SD MET A 85 5.136 14.460 3.819 1.00 0.00 S ATOM 1259 CE MET A 85 4.924 15.191 5.464 1.00 0.00 C ATOM 0 H MET A 85 3.730 15.999 -0.678 1.00 0.00 H new ATOM 0 HA MET A 85 4.551 13.824 1.153 1.00 0.00 H new ATOM 0 HB2 MET A 85 3.766 16.278 2.149 1.00 0.00 H new ATOM 0 HB3 MET A 85 2.204 15.545 1.846 1.00 0.00 H new ATOM 0 HG2 MET A 85 2.781 14.912 4.094 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.044 13.474 3.128 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.893 15.262 5.958 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.493 16.187 5.367 1.00 0.00 H new ATOM 0 HE3 MET A 85 4.259 14.564 6.058 1.00 0.00 H new ATOM 1269 N PRO A 86 2.768 12.608 -0.384 1.00 0.00 N ATOM 1270 CA PRO A 86 1.612 12.073 -1.159 1.00 0.00 C ATOM 1271 C PRO A 86 0.328 12.158 -0.337 1.00 0.00 C ATOM 1272 O PRO A 86 0.311 11.694 0.798 1.00 0.00 O ATOM 1273 CB PRO A 86 2.006 10.622 -1.467 1.00 0.00 C ATOM 1274 CG PRO A 86 3.485 10.542 -1.280 1.00 0.00 C ATOM 1275 CD PRO A 86 3.864 11.631 -0.268 1.00 0.00 C ATOM 0 HA PRO A 86 1.409 12.637 -2.070 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.492 9.929 -0.801 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.727 10.351 -2.485 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.776 9.557 -0.915 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.003 10.697 -2.226 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.939 11.230 0.743 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.828 12.080 -0.505 1.00 0.00 H new ATOM 1283 N HIS A 87 -0.781 12.507 -0.996 1.00 0.00 N ATOM 1284 CA HIS A 87 -2.109 12.460 -0.388 1.00 0.00 C ATOM 1285 C HIS A 87 -3.168 12.140 -1.438 1.00 0.00 C ATOM 1286 O HIS A 87 -3.179 12.758 -2.501 1.00 0.00 O ATOM 1287 CB HIS A 87 -2.423 13.793 0.310 1.00 0.00 C ATOM 1288 CG HIS A 87 -1.433 14.015 1.423 1.00 0.00 C ATOM 1289 ND1 HIS A 87 -1.480 13.270 2.587 1.00 0.00 N ATOM 1290 CD2 HIS A 87 -0.404 14.911 1.603 1.00 0.00 C ATOM 1291 CE1 HIS A 87 -0.435 13.637 3.348 1.00 0.00 C ATOM 1292 NE2 HIS A 87 0.162 14.724 2.864 1.00 0.00 N ATOM 0 H HIS A 87 -0.781 12.829 -1.964 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.121 11.667 0.360 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -2.373 14.613 -0.406 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.438 13.779 0.707 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.084 15.646 0.879 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -0.119 13.116 4.240 1.00 0.00 H new ATOM 0 HE2 HIS A 87 0.876 15.295 3.316 1.00 0.00 H new ATOM 1301 N ILE A 88 -4.202 11.419 -1.010 1.00 0.00 N ATOM 1302 CA ILE A 88 -5.421 11.269 -1.801 1.00 0.00 C ATOM 1303 C ILE A 88 -6.647 11.620 -0.958 1.00 0.00 C ATOM 1304 O ILE A 88 -6.651 11.387 0.252 1.00 0.00 O ATOM 1305 CB ILE A 88 -5.544 9.854 -2.376 1.00 0.00 C ATOM 1306 CG1 ILE A 88 -5.611 8.824 -1.240 1.00 0.00 C ATOM 1307 CG2 ILE A 88 -4.320 9.593 -3.263 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -5.958 7.439 -1.794 1.00 0.00 C ATOM 0 H ILE A 88 -4.220 10.928 -0.116 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.365 11.961 -2.641 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.457 9.764 -2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.654 8.785 -0.719 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.360 9.128 -0.509 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.384 8.590 -3.685 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.293 10.325 -4.070 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.413 9.678 -2.665 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.002 6.720 -0.976 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.926 7.479 -2.294 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.194 7.131 -2.507 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.660 12.223 -1.583 1.00 0.00 N ATOM 1321 CA VAL A 89 -8.930 12.468 -0.905 1.00 0.00 C ATOM 1322 C VAL A 89 -10.067 11.738 -1.618 1.00 0.00 C ATOM 1323 O VAL A 89 -10.264 11.925 -2.811 1.00 0.00 O ATOM 1324 CB VAL A 89 -9.218 13.976 -0.814 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -8.276 14.645 0.189 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -9.030 14.655 -2.174 1.00 0.00 C ATOM 0 H VAL A 89 -7.625 12.548 -2.549 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.858 12.078 0.110 1.00 0.00 H new ATOM 0 HB VAL A 89 -10.252 14.088 -0.488 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -8.496 15.711 0.239 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.417 14.199 1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.244 14.502 -0.130 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.240 15.721 -2.081 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.003 14.516 -2.511 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.713 14.213 -2.899 1.00 0.00 H new ATOM 1336 N VAL A 90 -10.885 11.025 -0.842 1.00 0.00 N ATOM 1337 CA VAL A 90 -11.927 10.151 -1.382 1.00 0.00 C ATOM 1338 C VAL A 90 -13.273 10.637 -0.869 1.00 0.00 C ATOM 1339 O VAL A 90 -13.546 10.516 0.323 1.00 0.00 O ATOM 1340 CB VAL A 90 -11.704 8.709 -0.900 1.00 0.00 C ATOM 1341 CG1 VAL A 90 -12.910 7.819 -1.229 1.00 0.00 C ATOM 1342 CG2 VAL A 90 -10.436 8.161 -1.559 1.00 0.00 C ATOM 0 H VAL A 90 -10.844 11.037 0.177 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.897 10.174 -2.471 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.588 8.709 0.184 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.721 6.805 -0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.799 8.215 -0.738 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -13.067 7.804 -2.307 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.266 7.137 -1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -10.554 8.175 -2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.584 8.780 -1.279 1.00 0.00 H new ATOM 1352 N LYS A 91 -14.206 10.787 -1.803 1.00 0.00 N ATOM 1353 CA LYS A 91 -15.564 11.156 -1.436 1.00 0.00 C ATOM 1354 C LYS A 91 -16.455 9.985 -1.815 1.00 0.00 C ATOM 1355 O LYS A 91 -16.621 9.750 -3.001 1.00 0.00 O ATOM 1356 CB LYS A 91 -16.079 12.412 -2.166 1.00 0.00 C ATOM 1357 CG LYS A 91 -15.280 12.801 -3.425 1.00 0.00 C ATOM 1358 CD LYS A 91 -13.852 13.278 -3.140 1.00 0.00 C ATOM 1359 CE LYS A 91 -13.136 13.645 -4.443 1.00 0.00 C ATOM 1360 NZ LYS A 91 -11.762 14.094 -4.086 1.00 0.00 N ATOM 0 H LYS A 91 -14.049 10.661 -2.803 1.00 0.00 H new ATOM 0 HA LYS A 91 -15.578 11.385 -0.370 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -17.119 12.250 -2.449 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -16.065 13.251 -1.470 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -15.237 11.942 -4.094 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.816 13.590 -3.953 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -13.877 14.143 -2.477 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -13.298 12.495 -2.622 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.097 12.787 -5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -13.674 14.435 -4.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.407 14.741 -4.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.785 14.587 -3.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.133 13.268 -4.019 1.00 0.00 H new ATOM 1374 N CYS A 92 -17.207 9.437 -0.857 1.00 0.00 N ATOM 1375 CA CYS A 92 -18.109 8.330 -1.172 1.00 0.00 C ATOM 1376 C CYS A 92 -19.545 8.832 -1.042 1.00 0.00 C ATOM 1377 O CYS A 92 -20.000 9.177 0.049 1.00 0.00 O ATOM 1378 CB CYS A 92 -17.837 7.108 -0.279 1.00 0.00 C ATOM 1379 SG CYS A 92 -19.319 6.091 -0.016 1.00 0.00 S ATOM 0 H CYS A 92 -17.210 9.733 0.119 1.00 0.00 H new ATOM 0 HA CYS A 92 -17.939 7.992 -2.194 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -17.057 6.497 -0.734 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -17.456 7.445 0.685 1.00 0.00 H new ATOM 0 HG CYS A 92 -19.818 6.347 1.157 1.00 0.00 H new ATOM 1384 N LEU A 93 -20.311 8.598 -2.102 1.00 0.00 N ATOM 1385 CA LEU A 93 -21.578 9.280 -2.320 1.00 0.00 C ATOM 1386 C LEU A 93 -22.540 8.919 -1.195 1.00 0.00 C ATOM 1387 O LEU A 93 -23.289 9.771 -0.717 1.00 0.00 O ATOM 1388 CB LEU A 93 -22.126 8.964 -3.722 1.00 0.00 C ATOM 1389 CG LEU A 93 -21.238 9.658 -4.761 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -21.516 9.147 -6.175 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -21.530 11.166 -4.715 1.00 0.00 C ATOM 0 H LEU A 93 -20.069 7.930 -2.834 1.00 0.00 H new ATOM 0 HA LEU A 93 -21.439 10.361 -2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -22.135 7.887 -3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -23.156 9.310 -3.813 1.00 0.00 H new ATOM 0 HG LEU A 93 -20.196 9.445 -4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -20.867 9.663 -6.883 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -21.322 8.075 -6.219 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -22.558 9.338 -6.433 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -20.908 11.680 -5.448 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -22.581 11.340 -4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -21.309 11.549 -3.719 1.00 0.00 H new ATOM 1403 N GLU A 94 -22.539 7.654 -0.787 1.00 0.00 N ATOM 1404 CA GLU A 94 -23.569 7.181 0.125 1.00 0.00 C ATOM 1405 C GLU A 94 -23.438 7.906 1.467 1.00 0.00 C ATOM 1406 O GLU A 94 -24.432 8.081 2.160 1.00 0.00 O ATOM 1407 CB GLU A 94 -23.475 5.669 0.362 1.00 0.00 C ATOM 1408 CG GLU A 94 -22.723 4.918 -0.744 1.00 0.00 C ATOM 1409 CD GLU A 94 -23.249 5.313 -2.124 1.00 0.00 C ATOM 1410 OE1 GLU A 94 -24.445 5.214 -2.342 1.00 0.00 O ATOM 1411 OE2 GLU A 94 -22.447 5.783 -2.913 1.00 0.00 O ATOM 0 H GLU A 94 -21.852 6.953 -1.067 1.00 0.00 H new ATOM 0 HA GLU A 94 -24.536 7.393 -0.332 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -22.977 5.490 1.315 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -24.482 5.260 0.447 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -21.657 5.138 -0.679 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -22.835 3.843 -0.601 1.00 0.00 H new ATOM 1418 N CYS A 95 -22.200 8.146 1.908 1.00 0.00 N ATOM 1419 CA CYS A 95 -22.000 9.023 3.060 1.00 0.00 C ATOM 1420 C CYS A 95 -22.129 10.481 2.637 1.00 0.00 C ATOM 1421 O CYS A 95 -22.666 11.291 3.390 1.00 0.00 O ATOM 1422 CB CYS A 95 -20.649 8.859 3.770 1.00 0.00 C ATOM 1423 SG CYS A 95 -19.269 8.627 2.619 1.00 0.00 S ATOM 0 H CYS A 95 -21.349 7.759 1.500 1.00 0.00 H new ATOM 0 HA CYS A 95 -22.774 8.729 3.769 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -20.458 9.739 4.385 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -20.700 8.004 4.444 1.00 0.00 H new ATOM 0 HG CYS A 95 -19.697 8.753 1.398 1.00 0.00 H new ATOM 1428 N GLY A 96 -21.687 10.798 1.421 1.00 0.00 N ATOM 1429 CA GLY A 96 -21.661 12.179 0.959 1.00 0.00 C ATOM 1430 C GLY A 96 -20.466 12.927 1.550 1.00 0.00 C ATOM 1431 O GLY A 96 -20.512 14.151 1.661 1.00 0.00 O ATOM 0 H GLY A 96 -21.344 10.118 0.742 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -21.608 12.202 -0.129 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -22.586 12.680 1.244 1.00 0.00 H new ATOM 1435 N HIS A 97 -19.521 12.177 2.120 1.00 0.00 N ATOM 1436 CA HIS A 97 -18.418 12.754 2.891 1.00 0.00 C ATOM 1437 C HIS A 97 -17.053 12.454 2.278 1.00 0.00 C ATOM 1438 O HIS A 97 -16.892 11.470 1.559 1.00 0.00 O ATOM 1439 CB HIS A 97 -18.429 12.310 4.358 1.00 0.00 C ATOM 1440 CG HIS A 97 -19.627 12.879 5.067 1.00 0.00 C ATOM 1441 ND1 HIS A 97 -20.834 12.340 5.449 1.00 0.00 N flip ATOM 1442 CD2 HIS A 97 -19.726 14.240 5.314 1.00 0.00 C flip ATOM 1443 CE1 HIS A 97 -21.730 13.378 5.675 1.00 0.00 C flip ATOM 1444 NE2 HIS A 97 -20.969 14.471 5.753 1.00 0.00 N flip ATOM 0 H HIS A 97 -19.498 11.159 2.061 1.00 0.00 H new ATOM 0 HA HIS A 97 -18.582 13.831 2.856 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -18.447 11.222 4.415 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -17.515 12.640 4.852 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -18.947 14.975 5.178 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -22.804 13.314 5.767 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -21.294 15.372 6.104 1.00 0.00 H new ATOM 1453 N ILE A 98 -16.134 13.400 2.479 1.00 0.00 N ATOM 1454 CA ILE A 98 -14.756 13.292 2.003 1.00 0.00 C ATOM 1455 C ILE A 98 -13.831 12.718 3.070 1.00 0.00 C ATOM 1456 O ILE A 98 -14.011 12.959 4.264 1.00 0.00 O ATOM 1457 CB ILE A 98 -14.274 14.676 1.545 1.00 0.00 C ATOM 1458 CG1 ILE A 98 -12.853 14.616 0.967 1.00 0.00 C ATOM 1459 CG2 ILE A 98 -14.291 15.667 2.715 1.00 0.00 C ATOM 1460 CD1 ILE A 98 -12.780 13.696 -0.255 1.00 0.00 C ATOM 0 H ILE A 98 -16.327 14.267 2.980 1.00 0.00 H new ATOM 0 HA ILE A 98 -14.731 12.599 1.162 1.00 0.00 H new ATOM 0 HB ILE A 98 -14.958 15.011 0.765 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -12.531 15.619 0.688 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -12.163 14.261 1.732 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -13.946 16.642 2.371 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.306 15.757 3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -13.633 15.308 3.506 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.759 13.679 -0.637 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -13.078 12.687 0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -13.451 14.067 -1.030 1.00 0.00 H new ATOM 1472 N MET A 99 -13.082 11.716 2.620 1.00 0.00 N ATOM 1473 CA MET A 99 -12.124 11.001 3.448 1.00 0.00 C ATOM 1474 C MET A 99 -10.716 11.283 2.925 1.00 0.00 C ATOM 1475 O MET A 99 -10.470 11.202 1.723 1.00 0.00 O ATOM 1476 CB MET A 99 -12.425 9.497 3.372 1.00 0.00 C ATOM 1477 CG MET A 99 -13.772 9.192 4.035 1.00 0.00 C ATOM 1478 SD MET A 99 -14.158 7.432 3.846 1.00 0.00 S ATOM 1479 CE MET A 99 -12.887 6.757 4.945 1.00 0.00 C ATOM 0 H MET A 99 -13.126 11.376 1.659 1.00 0.00 H new ATOM 0 HA MET A 99 -12.196 11.328 4.485 1.00 0.00 H new ATOM 0 HB2 MET A 99 -12.443 9.175 2.331 1.00 0.00 H new ATOM 0 HB3 MET A 99 -11.633 8.935 3.866 1.00 0.00 H new ATOM 0 HG2 MET A 99 -13.736 9.455 5.092 1.00 0.00 H new ATOM 0 HG3 MET A 99 -14.557 9.797 3.582 1.00 0.00 H new ATOM 0 HE1 MET A 99 -13.191 5.768 5.288 1.00 0.00 H new ATOM 0 HE2 MET A 99 -11.943 6.680 4.405 1.00 0.00 H new ATOM 0 HE3 MET A 99 -12.761 7.416 5.804 1.00 0.00 H new ATOM 1489 N ARG A 100 -9.768 11.473 3.840 1.00 0.00 N ATOM 1490 CA ARG A 100 -8.367 11.634 3.466 1.00 0.00 C ATOM 1491 C ARG A 100 -7.621 10.334 3.734 1.00 0.00 C ATOM 1492 O ARG A 100 -7.713 9.778 4.827 1.00 0.00 O ATOM 1493 CB ARG A 100 -7.758 12.782 4.280 1.00 0.00 C ATOM 1494 CG ARG A 100 -8.406 14.100 3.850 1.00 0.00 C ATOM 1495 CD ARG A 100 -7.878 15.256 4.692 1.00 0.00 C ATOM 1496 NE ARG A 100 -8.517 16.502 4.277 1.00 0.00 N ATOM 1497 CZ ARG A 100 -8.307 17.654 4.916 1.00 0.00 C ATOM 1498 NH1 ARG A 100 -7.452 17.707 5.905 1.00 0.00 N ATOM 1499 NH2 ARG A 100 -8.949 18.740 4.563 1.00 0.00 N ATOM 0 H ARG A 100 -9.945 11.519 4.843 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.286 11.871 2.405 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.918 12.614 5.345 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.680 12.824 4.123 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -8.200 14.286 2.796 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.489 14.031 3.955 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.076 15.069 5.748 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.797 15.336 4.579 1.00 0.00 H new ATOM 0 HE ARG A 100 -9.144 16.491 3.473 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.946 16.868 6.187 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -7.291 18.588 6.394 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.617 18.710 3.793 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.781 19.616 5.058 1.00 0.00 H new ATOM 1513 N TYR A 101 -6.784 9.954 2.779 1.00 0.00 N ATOM 1514 CA TYR A 101 -5.852 8.853 2.974 1.00 0.00 C ATOM 1515 C TYR A 101 -4.431 9.319 2.677 1.00 0.00 C ATOM 1516 O TYR A 101 -4.100 9.604 1.520 1.00 0.00 O ATOM 1517 CB TYR A 101 -6.241 7.709 2.039 1.00 0.00 C ATOM 1518 CG TYR A 101 -5.666 6.404 2.539 1.00 0.00 C ATOM 1519 CD1 TYR A 101 -4.336 6.056 2.262 1.00 0.00 C ATOM 1520 CD2 TYR A 101 -6.491 5.514 3.236 1.00 0.00 C ATOM 1521 CE1 TYR A 101 -3.816 4.851 2.743 1.00 0.00 C ATOM 1522 CE2 TYR A 101 -5.977 4.311 3.706 1.00 0.00 C ATOM 1523 CZ TYR A 101 -4.638 3.978 3.469 1.00 0.00 C ATOM 1524 OH TYR A 101 -4.106 2.839 4.034 1.00 0.00 O ATOM 0 H TYR A 101 -6.731 10.393 1.860 1.00 0.00 H new ATOM 0 HA TYR A 101 -5.893 8.509 4.007 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -7.327 7.635 1.976 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -5.876 7.913 1.032 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.714 6.718 1.678 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -7.528 5.762 3.409 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -2.784 4.593 2.556 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -6.612 3.632 4.255 1.00 0.00 H new ATOM 0 HH TYR A 101 -4.812 2.346 4.503 1.00 0.00 H new ATOM 1534 N PRO A 102 -3.648 9.618 3.716 1.00 0.00 N ATOM 1535 CA PRO A 102 -2.199 9.917 3.558 1.00 0.00 C ATOM 1536 C PRO A 102 -1.448 8.720 2.992 1.00 0.00 C ATOM 1537 O PRO A 102 -1.723 7.581 3.372 1.00 0.00 O ATOM 1538 CB PRO A 102 -1.728 10.236 4.984 1.00 0.00 C ATOM 1539 CG PRO A 102 -2.966 10.497 5.776 1.00 0.00 C ATOM 1540 CD PRO A 102 -4.056 9.643 5.129 1.00 0.00 C ATOM 0 HA PRO A 102 -2.017 10.735 2.862 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -1.164 9.403 5.404 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -1.069 11.104 4.992 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -2.826 10.227 6.823 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.231 11.554 5.752 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.094 8.642 5.558 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -5.045 10.083 5.258 1.00 0.00 H new ATOM 1548 N TYR A 103 -0.458 9.002 2.149 1.00 0.00 N ATOM 1549 CA TYR A 103 0.441 7.968 1.652 1.00 0.00 C ATOM 1550 C TYR A 103 1.873 8.505 1.569 1.00 0.00 C ATOM 1551 O TYR A 103 2.064 9.723 1.554 1.00 0.00 O ATOM 1552 CB TYR A 103 -0.070 7.515 0.280 1.00 0.00 C ATOM 1553 CG TYR A 103 0.763 6.374 -0.251 1.00 0.00 C ATOM 1554 CD1 TYR A 103 0.470 5.065 0.170 1.00 0.00 C ATOM 1555 CD2 TYR A 103 1.743 6.598 -1.235 1.00 0.00 C ATOM 1556 CE1 TYR A 103 1.173 3.986 -0.369 1.00 0.00 C ATOM 1557 CE2 TYR A 103 2.410 5.505 -1.803 1.00 0.00 C ATOM 1558 CZ TYR A 103 2.165 4.210 -1.331 1.00 0.00 C ATOM 1559 OH TYR A 103 3.014 3.185 -1.688 1.00 0.00 O ATOM 0 H TYR A 103 -0.259 9.938 1.797 1.00 0.00 H new ATOM 0 HA TYR A 103 0.458 7.115 2.331 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -1.112 7.205 0.359 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -0.038 8.351 -0.419 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -0.298 4.894 0.910 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.979 7.604 -1.550 1.00 0.00 H new ATOM 0 HE1 TYR A 103 0.952 2.980 -0.044 1.00 0.00 H new ATOM 0 HE2 TYR A 103 3.114 5.662 -2.606 1.00 0.00 H new ATOM 0 HH TYR A 103 3.644 3.504 -2.368 1.00 0.00 H new