USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 693 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 84 ASN : amide:sc= 0.0319 K(o=0.056,f=-2.2!) USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0.0241 USER MOD Set 2.1: A 9 HIS :FLIP no HD1:sc= 0.0222 F(o=-0.64,f=0.19) USER MOD Set 2.2: A 22 SER OG : rot 33:sc= 0.167 USER MOD Single : A 6 ASN : amide:sc= -0.0241 X(o=-0.024,f=0.44!) USER MOD Single : A 8 LYS NZ :NH3+ -159:sc= 1.17 (180deg=0.956) USER MOD Single : A 24 HIS : no HE2:sc= 0.797 K(o=0.8,f=-6.1!) USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -75:sc= 0.653 USER MOD Single : A 31 ASN : amide:sc=-0.00532 K(o=-0.0053,f=-1) USER MOD Single : A 32 ASN : amide:sc=-0.00247 X(o=-0.0025,f=-0.16) USER MOD Single : A 33 GLN : amide:sc= 1.18 K(o=1.2,f=-0.19) USER MOD Single : A 35 MET CE :methyl -145:sc= -0.143 (180deg=-3.6!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 178:sc= 0.609 (180deg=0.477) USER MOD Single : A 43 SER OG : rot 79:sc= 1.05 USER MOD Single : A 46 SER OG : rot 82:sc=0.000418 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot -41:sc= -1.54 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= -0.269 K(o=-0.27,f=-3.1!) USER MOD Single : A 77 LYS NZ :NH3+ -96:sc= 2.38 (180deg=-0.983) USER MOD Single : A 81 SER OG : rot -144:sc= 1.36 USER MOD Single : A 89 GLN : amide:sc= 0.894 K(o=0.89,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.00709) USER MOD Single : A 96 MET CE :methyl -144:sc= -0.205 (180deg=-0.968) USER MOD Single : A 97 ASN : amide:sc= -0.0353 X(o=-0.035,f=0) USER MOD Single : A 98 THR OG1 : rot 87:sc= 1.25 USER MOD Single : A 101 GLN : amide:sc=-0.00761 K(o=-0.0076,f=-1.8!) USER MOD Single : A 104 SER OG : rot -82:sc= 1.26 USER MOD Single : A 105 SER OG : rot 87:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -8.787 -10.729 -15.702 1.00 0.51 N ATOM 21 CA GLU A 2 -8.951 -9.702 -14.687 1.00 0.37 C ATOM 22 C GLU A 2 -8.420 -8.356 -15.186 1.00 0.34 C ATOM 23 O GLU A 2 -7.755 -8.277 -16.227 1.00 0.48 O ATOM 24 CB GLU A 2 -8.221 -10.144 -13.426 1.00 0.53 C ATOM 25 CG GLU A 2 -6.724 -10.252 -13.675 1.00 0.96 C ATOM 26 CD GLU A 2 -6.251 -11.699 -13.584 1.00 1.61 C ATOM 27 OE1 GLU A 2 -6.564 -12.495 -14.499 1.00 2.16 O ATOM 28 OE2 GLU A 2 -5.568 -12.040 -12.600 1.00 2.09 O ATOM 0 HA GLU A 2 -10.010 -9.569 -14.466 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -8.410 -9.431 -12.623 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -8.609 -11.107 -13.095 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -6.487 -9.851 -14.660 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -6.187 -9.645 -12.946 1.00 0.96 H new ATOM 35 N GLY A 3 -8.701 -7.299 -14.432 1.00 0.25 N ATOM 36 CA GLY A 3 -8.249 -5.954 -14.782 1.00 0.28 C ATOM 37 C GLY A 3 -9.168 -4.892 -14.190 1.00 0.22 C ATOM 38 O GLY A 3 -10.166 -5.203 -13.527 1.00 0.22 O ATOM 0 H GLY A 3 -9.243 -7.347 -13.569 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -7.233 -5.803 -14.418 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.218 -5.849 -15.866 1.00 0.28 H new ATOM 42 N PHE A 4 -8.818 -3.632 -14.437 1.00 0.24 N ATOM 43 CA PHE A 4 -9.589 -2.486 -13.948 1.00 0.21 C ATOM 44 C PHE A 4 -10.849 -2.295 -14.785 1.00 0.22 C ATOM 45 O PHE A 4 -10.852 -2.543 -15.991 1.00 0.27 O ATOM 46 CB PHE A 4 -8.742 -1.212 -14.000 1.00 0.23 C ATOM 47 CG PHE A 4 -7.774 -1.116 -12.847 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.223 -0.819 -11.570 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.426 -1.328 -13.075 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.320 -0.729 -10.525 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.527 -1.237 -12.031 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.023 -0.938 -10.714 1.00 0.41 C ATOM 0 H PHE A 4 -7.994 -3.374 -14.980 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.874 -2.684 -12.915 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.188 -1.185 -14.939 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.399 -0.342 -13.993 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.276 -0.658 -11.391 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.077 -1.565 -14.069 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -7.678 -0.484 -9.536 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.471 -1.387 -12.200 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.340 -0.884 -9.879 1.00 0.41 H new ATOM 62 N LEU A 5 -11.907 -1.850 -14.129 1.00 0.19 N ATOM 63 CA LEU A 5 -13.197 -1.614 -14.772 1.00 0.21 C ATOM 64 C LEU A 5 -13.976 -0.556 -13.991 1.00 0.20 C ATOM 65 O LEU A 5 -13.871 -0.472 -12.764 1.00 0.21 O ATOM 66 CB LEU A 5 -14.023 -2.915 -14.795 1.00 0.23 C ATOM 67 CG LEU A 5 -13.768 -3.774 -16.035 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.580 -5.065 -15.942 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.123 -3.015 -17.313 1.00 0.31 C ATOM 0 H LEU A 5 -11.900 -1.640 -13.131 1.00 0.19 H new ATOM 0 HA LEU A 5 -13.020 -1.272 -15.792 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.793 -3.499 -13.904 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -15.083 -2.665 -14.747 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.706 -4.017 -16.075 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.396 -5.675 -16.827 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.282 -5.619 -15.051 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.641 -4.824 -15.882 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -13.932 -3.650 -18.178 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.177 -2.739 -17.291 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.514 -2.114 -17.382 1.00 0.31 H new ATOM 81 N ASN A 6 -14.795 0.217 -14.698 1.00 0.22 N ATOM 82 CA ASN A 6 -15.651 1.232 -14.067 1.00 0.23 C ATOM 83 C ASN A 6 -16.995 0.563 -13.806 1.00 0.22 C ATOM 84 O ASN A 6 -17.632 0.104 -14.744 1.00 0.26 O ATOM 85 CB ASN A 6 -15.798 2.473 -14.979 1.00 0.28 C ATOM 86 CG ASN A 6 -15.544 3.765 -14.191 1.00 0.72 C ATOM 87 OD1 ASN A 6 -16.477 4.480 -13.831 1.00 1.49 O ATOM 88 ND2 ASN A 6 -14.282 4.068 -13.926 1.00 1.24 N ATOM 0 H ASN A 6 -14.888 0.164 -15.712 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.217 1.592 -13.134 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -15.095 2.404 -15.809 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.799 2.496 -15.410 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -14.060 4.918 -13.408 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -13.533 3.451 -14.240 1.00 1.24 H new ATOM 95 N ARG A 7 -17.393 0.449 -12.537 1.00 0.23 N ATOM 96 CA ARG A 7 -18.642 -0.233 -12.169 1.00 0.24 C ATOM 97 C ARG A 7 -19.723 0.759 -11.739 1.00 0.25 C ATOM 98 O ARG A 7 -19.462 1.702 -10.987 1.00 0.32 O ATOM 99 CB ARG A 7 -18.365 -1.225 -11.029 1.00 0.28 C ATOM 100 CG ARG A 7 -19.571 -2.128 -10.744 1.00 0.34 C ATOM 101 CD ARG A 7 -19.322 -3.046 -9.541 1.00 0.54 C ATOM 102 NE ARG A 7 -19.138 -2.252 -8.324 1.00 0.95 N ATOM 103 CZ ARG A 7 -19.115 -2.809 -7.114 1.00 1.16 C ATOM 104 NH1 ARG A 7 -17.986 -3.317 -6.656 1.00 1.46 N ATOM 105 NH2 ARG A 7 -20.219 -2.864 -6.384 1.00 1.71 N ATOM 0 H ARG A 7 -16.870 0.820 -11.744 1.00 0.23 H new ATOM 0 HA ARG A 7 -19.009 -0.764 -13.047 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.504 -1.842 -11.287 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -18.104 -0.674 -10.125 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -20.450 -1.512 -10.555 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.788 -2.733 -11.624 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -20.163 -3.727 -9.415 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -18.439 -3.659 -9.720 1.00 0.54 H new ATOM 0 HE ARG A 7 -19.024 -1.242 -8.405 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -17.142 -3.281 -7.227 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -17.958 -3.746 -5.731 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -21.091 -2.479 -6.748 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -20.197 -3.291 -5.458 1.00 1.71 H new ATOM 119 N LYS A 8 -20.946 0.510 -12.205 1.00 0.27 N ATOM 120 CA LYS A 8 -22.112 1.330 -11.882 1.00 0.29 C ATOM 121 C LYS A 8 -23.278 0.415 -11.546 1.00 0.29 C ATOM 122 O LYS A 8 -23.747 -0.333 -12.404 1.00 0.38 O ATOM 123 CB LYS A 8 -22.481 2.216 -13.072 1.00 0.36 C ATOM 124 CG LYS A 8 -23.582 3.225 -12.726 1.00 0.37 C ATOM 125 CD LYS A 8 -24.879 2.939 -13.491 1.00 0.50 C ATOM 126 CE LYS A 8 -26.079 3.609 -12.816 1.00 0.62 C ATOM 127 NZ LYS A 8 -27.144 3.965 -13.801 1.00 1.02 N ATOM 0 H LYS A 8 -21.157 -0.274 -12.823 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.881 1.969 -11.030 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.595 2.751 -13.412 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.813 1.589 -13.900 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.778 3.195 -11.654 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -23.238 4.233 -12.959 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.787 3.299 -14.516 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -25.043 1.863 -13.545 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.492 2.940 -12.061 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.748 4.509 -12.298 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.753 4.706 -13.400 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -26.704 4.314 -14.677 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -27.717 3.123 -14.013 1.00 1.02 H new ATOM 141 N HIS A 9 -23.749 0.475 -10.306 1.00 0.43 N ATOM 142 CA HIS A 9 -24.876 -0.353 -9.872 1.00 0.52 C ATOM 143 C HIS A 9 -26.195 0.286 -10.317 1.00 0.58 C ATOM 144 O HIS A 9 -26.684 1.233 -9.707 1.00 0.73 O ATOM 145 CB HIS A 9 -24.833 -0.594 -8.347 1.00 0.68 C ATOM 146 CG HIS A 9 -24.801 0.646 -7.488 1.00 0.88 C ATOM 147 ND1 HIS A 9 -24.501 1.942 -7.764 1.00 1.21 N flip ATOM 148 CD2 HIS A 9 -25.085 0.631 -6.146 1.00 1.22 C flip ATOM 149 CE1 HIS A 9 -24.611 2.663 -6.589 1.00 1.69 C flip ATOM 150 NE2 HIS A 9 -24.970 1.829 -5.625 1.00 1.75 N flip ATOM 0 H HIS A 9 -23.371 1.086 -9.582 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.801 -1.332 -10.346 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -25.705 -1.185 -8.067 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -23.953 -1.195 -8.118 1.00 0.68 H new ATOM 0 HD2 HIS A 9 -25.366 -0.252 -5.591 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -24.435 3.723 -6.477 1.00 1.69 H new ATOM 0 HE2 HIS A 9 -25.129 2.075 -4.648 1.00 1.75 H new ATOM 158 N GLU A 10 -26.755 -0.243 -11.405 1.00 0.60 N ATOM 159 CA GLU A 10 -28.015 0.247 -11.974 1.00 0.73 C ATOM 160 C GLU A 10 -29.181 -0.117 -11.053 1.00 0.83 C ATOM 161 O GLU A 10 -30.005 0.729 -10.709 1.00 1.00 O ATOM 162 CB GLU A 10 -28.209 -0.370 -13.374 1.00 0.79 C ATOM 163 CG GLU A 10 -29.610 -0.131 -13.957 1.00 1.28 C ATOM 164 CD GLU A 10 -29.926 1.355 -14.055 1.00 1.19 C ATOM 165 OE1 GLU A 10 -28.983 2.155 -14.204 1.00 1.52 O ATOM 166 OE2 GLU A 10 -31.116 1.730 -13.971 1.00 1.72 O ATOM 0 H GLU A 10 -26.349 -1.025 -11.919 1.00 0.60 H new ATOM 0 HA GLU A 10 -27.983 1.333 -12.066 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.465 0.047 -14.053 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -28.025 -1.443 -13.319 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -29.676 -0.584 -14.946 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -30.355 -0.622 -13.331 1.00 1.28 H new ATOM 173 N TRP A 11 -29.227 -1.380 -10.654 1.00 0.82 N ATOM 174 CA TRP A 11 -30.268 -1.886 -9.768 1.00 0.96 C ATOM 175 C TRP A 11 -29.680 -2.993 -8.893 1.00 0.94 C ATOM 176 O TRP A 11 -28.909 -3.831 -9.372 1.00 0.84 O ATOM 177 CB TRP A 11 -31.450 -2.410 -10.604 1.00 1.08 C ATOM 178 CG TRP A 11 -32.582 -2.949 -9.771 1.00 1.26 C ATOM 179 CD1 TRP A 11 -33.440 -2.229 -8.985 1.00 1.54 C ATOM 180 CD2 TRP A 11 -32.967 -4.334 -9.632 1.00 1.26 C ATOM 181 NE1 TRP A 11 -34.320 -3.092 -8.395 1.00 1.67 N ATOM 182 CE2 TRP A 11 -34.061 -4.377 -8.762 1.00 1.51 C ATOM 183 CE3 TRP A 11 -32.492 -5.536 -10.161 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -34.676 -5.568 -8.414 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -33.106 -6.734 -9.815 1.00 1.35 C ATOM 186 CH2 TRP A 11 -34.188 -6.747 -8.947 1.00 1.53 C ATOM 0 H TRP A 11 -28.544 -2.084 -10.935 1.00 0.82 H new ATOM 0 HA TRP A 11 -30.637 -1.087 -9.124 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -31.825 -1.603 -11.234 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -31.094 -3.196 -11.270 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -33.424 -1.157 -8.853 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -35.071 -2.811 -7.764 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -31.650 -5.535 -10.837 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -35.520 -5.576 -7.740 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -32.738 -7.663 -10.225 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -34.653 -7.686 -8.685 1.00 1.53 H new ATOM 353 N SER A 22 -22.818 6.667 -8.202 1.00 1.32 N ATOM 354 CA SER A 22 -22.929 5.424 -8.955 1.00 0.74 C ATOM 355 C SER A 22 -22.043 5.462 -10.199 1.00 0.68 C ATOM 356 O SER A 22 -22.521 5.756 -11.286 1.00 1.69 O ATOM 357 CB SER A 22 -24.390 5.200 -9.348 1.00 1.62 C ATOM 358 OG SER A 22 -25.238 5.263 -8.202 1.00 1.86 O ATOM 0 HA SER A 22 -22.591 4.598 -8.329 1.00 0.74 H new ATOM 0 HB2 SER A 22 -24.696 5.953 -10.074 1.00 1.62 H new ATOM 0 HB3 SER A 22 -24.496 4.229 -9.832 1.00 1.62 H new ATOM 0 HG SER A 22 -24.872 5.906 -7.559 1.00 1.86 H new ATOM 364 N TRP A 23 -20.764 5.148 -9.992 1.00 0.69 N ATOM 365 CA TRP A 23 -19.714 5.096 -11.037 1.00 0.41 C ATOM 366 C TRP A 23 -18.350 5.176 -10.334 1.00 0.40 C ATOM 367 O TRP A 23 -17.952 6.248 -9.876 1.00 0.55 O ATOM 368 CB TRP A 23 -19.825 6.245 -12.083 1.00 0.43 C ATOM 369 CG TRP A 23 -20.601 5.873 -13.329 1.00 0.40 C ATOM 370 CD1 TRP A 23 -21.672 6.548 -13.849 1.00 0.45 C ATOM 371 CD2 TRP A 23 -20.377 4.741 -14.206 1.00 0.34 C ATOM 372 NE1 TRP A 23 -22.117 5.889 -14.960 1.00 0.42 N ATOM 373 CE2 TRP A 23 -21.355 4.788 -15.210 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.453 3.691 -14.239 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.436 3.832 -16.215 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.524 2.733 -15.244 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.509 2.802 -16.221 1.00 0.31 C ATOM 0 H TRP A 23 -20.408 4.913 -9.065 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.836 4.165 -11.591 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -20.303 7.105 -11.613 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -18.821 6.557 -12.372 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -22.097 7.455 -13.446 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.913 6.182 -15.526 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.684 3.625 -13.483 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.203 3.890 -16.973 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.806 1.927 -15.265 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.553 2.047 -16.992 1.00 0.31 H new ATOM 388 N HIS A 24 -17.648 4.043 -10.228 1.00 0.37 N ATOM 389 CA HIS A 24 -16.333 3.993 -9.559 1.00 0.45 C ATOM 390 C HIS A 24 -15.397 2.988 -10.241 1.00 0.36 C ATOM 391 O HIS A 24 -15.838 1.960 -10.762 1.00 0.34 O ATOM 392 CB HIS A 24 -16.487 3.633 -8.060 1.00 0.61 C ATOM 393 CG HIS A 24 -17.396 2.463 -7.780 1.00 1.18 C ATOM 394 ND1 HIS A 24 -18.550 2.563 -7.043 1.00 2.08 N ATOM 395 CD2 HIS A 24 -17.322 1.151 -8.131 1.00 1.66 C ATOM 396 CE1 HIS A 24 -19.150 1.401 -6.944 1.00 2.98 C ATOM 397 NE2 HIS A 24 -18.429 0.508 -7.602 1.00 2.74 N ATOM 0 H HIS A 24 -17.964 3.145 -10.595 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.891 4.986 -9.640 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -15.501 3.415 -7.650 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -16.867 4.505 -7.529 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -18.895 3.428 -6.627 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -16.540 0.692 -8.718 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -20.072 1.207 -6.417 1.00 2.98 H new ATOM 405 N ASN A 25 -14.096 3.290 -10.205 1.00 0.37 N ATOM 406 CA ASN A 25 -13.055 2.425 -10.781 1.00 0.35 C ATOM 407 C ASN A 25 -12.726 1.317 -9.778 1.00 0.34 C ATOM 408 O ASN A 25 -12.328 1.598 -8.644 1.00 0.55 O ATOM 409 CB ASN A 25 -11.796 3.260 -11.086 1.00 0.44 C ATOM 410 CG ASN A 25 -10.666 2.403 -11.679 1.00 0.99 C ATOM 411 OD1 ASN A 25 -10.911 1.439 -12.410 1.00 1.71 O ATOM 412 ND2 ASN A 25 -9.426 2.763 -11.374 1.00 1.49 N ATOM 0 H ASN A 25 -13.732 4.141 -9.776 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.410 1.981 -11.711 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -12.050 4.058 -11.784 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.447 3.737 -10.170 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -8.636 2.237 -11.747 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -9.263 3.566 -10.766 1.00 1.49 H new ATOM 419 N VAL A 26 -12.899 0.068 -10.193 1.00 0.22 N ATOM 420 CA VAL A 26 -12.636 -1.086 -9.336 1.00 0.21 C ATOM 421 C VAL A 26 -11.878 -2.165 -10.119 1.00 0.18 C ATOM 422 O VAL A 26 -11.912 -2.190 -11.351 1.00 0.23 O ATOM 423 CB VAL A 26 -13.976 -1.617 -8.783 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.638 -2.625 -9.729 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.793 -2.221 -7.394 1.00 0.31 C ATOM 0 H VAL A 26 -13.224 -0.175 -11.129 1.00 0.22 H new ATOM 0 HA VAL A 26 -12.006 -0.793 -8.496 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.647 -0.761 -8.705 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.577 -2.969 -9.295 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -14.835 -2.148 -10.689 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -13.973 -3.476 -9.877 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.752 -2.587 -7.027 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.085 -3.048 -7.447 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.411 -1.460 -6.714 1.00 0.31 H new ATOM 435 N TYR A 27 -11.202 -3.055 -9.398 1.00 0.16 N ATOM 436 CA TYR A 27 -10.437 -4.148 -10.009 1.00 0.16 C ATOM 437 C TYR A 27 -11.237 -5.447 -9.894 1.00 0.19 C ATOM 438 O TYR A 27 -11.474 -5.942 -8.792 1.00 0.34 O ATOM 439 CB TYR A 27 -9.076 -4.277 -9.317 1.00 0.17 C ATOM 440 CG TYR A 27 -8.069 -5.079 -10.113 1.00 0.18 C ATOM 441 CD1 TYR A 27 -8.005 -6.454 -9.958 1.00 0.26 C ATOM 442 CD2 TYR A 27 -7.212 -4.447 -10.998 1.00 0.28 C ATOM 443 CE1 TYR A 27 -7.094 -7.193 -10.691 1.00 0.30 C ATOM 444 CE2 TYR A 27 -6.301 -5.189 -11.730 1.00 0.33 C ATOM 445 CZ TYR A 27 -6.214 -6.532 -11.562 1.00 0.29 C ATOM 446 OH TYR A 27 -5.341 -7.293 -12.307 1.00 0.37 O ATOM 0 H TYR A 27 -11.166 -3.043 -8.379 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.262 -3.937 -11.064 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.673 -3.280 -9.135 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.215 -4.747 -8.343 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -8.667 -6.950 -9.264 1.00 0.26 H new ATOM 0 HD2 TYR A 27 -7.254 -3.374 -11.117 1.00 0.28 H new ATOM 0 HE1 TYR A 27 -7.060 -8.268 -10.594 1.00 0.30 H new ATOM 0 HE2 TYR A 27 -5.655 -4.695 -12.440 1.00 0.33 H new ATOM 0 HH TYR A 27 -4.791 -6.706 -12.867 1.00 0.37 H new ATOM 456 N CYS A 28 -11.670 -5.980 -11.036 1.00 0.16 N ATOM 457 CA CYS A 28 -12.473 -7.209 -11.078 1.00 0.19 C ATOM 458 C CYS A 28 -11.627 -8.401 -11.535 1.00 0.19 C ATOM 459 O CYS A 28 -10.892 -8.309 -12.520 1.00 0.23 O ATOM 460 CB CYS A 28 -13.661 -7.022 -12.035 1.00 0.23 C ATOM 461 SG CYS A 28 -14.539 -5.469 -11.771 1.00 0.34 S ATOM 0 H CYS A 28 -11.478 -5.578 -11.954 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.841 -7.412 -10.072 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -13.302 -7.060 -13.063 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.356 -7.852 -11.909 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.270 -5.560 -10.700 1.00 0.34 H new ATOM 467 N VAL A 29 -11.751 -9.520 -10.819 1.00 0.21 N ATOM 468 CA VAL A 29 -11.024 -10.755 -11.144 1.00 0.24 C ATOM 469 C VAL A 29 -12.023 -11.911 -11.218 1.00 0.26 C ATOM 470 O VAL A 29 -12.712 -12.203 -10.237 1.00 0.38 O ATOM 471 CB VAL A 29 -9.949 -11.049 -10.079 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.194 -12.348 -10.403 1.00 0.37 C ATOM 473 CG2 VAL A 29 -8.962 -9.882 -9.948 1.00 0.33 C ATOM 0 H VAL A 29 -12.355 -9.599 -10.001 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.523 -10.637 -12.105 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.460 -11.173 -9.124 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.441 -12.532 -9.636 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -9.897 -13.181 -10.429 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.707 -12.254 -11.374 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.216 -10.120 -9.189 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.466 -9.716 -10.904 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.501 -8.980 -9.657 1.00 0.33 H new ATOM 483 N ILE A 30 -12.104 -12.559 -12.380 1.00 0.28 N ATOM 484 CA ILE A 30 -13.024 -13.685 -12.586 1.00 0.32 C ATOM 485 C ILE A 30 -12.326 -15.001 -12.216 1.00 0.35 C ATOM 486 O ILE A 30 -11.180 -15.237 -12.602 1.00 0.44 O ATOM 487 CB ILE A 30 -13.494 -13.731 -14.051 1.00 0.40 C ATOM 488 CG1 ILE A 30 -14.210 -12.427 -14.437 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.412 -14.935 -14.291 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.522 -12.377 -15.934 1.00 0.57 C ATOM 0 H ILE A 30 -11.542 -12.324 -13.198 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.895 -13.550 -11.945 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.612 -13.839 -14.683 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -15.136 -12.338 -13.869 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -13.586 -11.575 -14.166 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.732 -14.947 -15.333 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -13.872 -15.855 -14.067 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.286 -14.861 -13.644 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -15.028 -11.441 -16.169 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -13.594 -12.440 -16.501 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -15.167 -13.215 -16.199 1.00 0.57 H new ATOM 502 N ASN A 31 -13.033 -15.847 -11.467 1.00 0.46 N ATOM 503 CA ASN A 31 -12.515 -17.146 -11.030 1.00 0.58 C ATOM 504 C ASN A 31 -13.607 -18.211 -11.188 1.00 0.71 C ATOM 505 O ASN A 31 -14.496 -18.333 -10.345 1.00 1.20 O ATOM 506 CB ASN A 31 -12.048 -17.054 -9.564 1.00 0.73 C ATOM 507 CG ASN A 31 -11.305 -18.325 -9.140 1.00 0.93 C ATOM 508 OD1 ASN A 31 -10.665 -18.984 -9.959 1.00 1.27 O ATOM 509 ND2 ASN A 31 -11.384 -18.663 -7.861 1.00 1.47 N ATOM 0 H ASN A 31 -13.981 -15.652 -11.145 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.661 -17.428 -11.646 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -11.396 -16.190 -9.441 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -12.909 -16.899 -8.914 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -10.903 -19.497 -7.523 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -11.925 -18.089 -7.214 1.00 1.47 H new ATOM 516 N ASN A 32 -13.522 -18.976 -12.284 1.00 0.85 N ATOM 517 CA ASN A 32 -14.475 -20.057 -12.609 1.00 1.00 C ATOM 518 C ASN A 32 -15.905 -19.520 -12.792 1.00 1.00 C ATOM 519 O ASN A 32 -16.274 -19.093 -13.890 1.00 1.97 O ATOM 520 CB ASN A 32 -14.427 -21.173 -11.536 1.00 1.24 C ATOM 521 CG ASN A 32 -13.425 -22.260 -11.930 1.00 1.73 C ATOM 522 OD1 ASN A 32 -13.520 -22.841 -13.011 1.00 2.06 O ATOM 523 ND2 ASN A 32 -12.474 -22.552 -11.054 1.00 2.52 N ATOM 0 H ASN A 32 -12.784 -18.865 -12.980 1.00 0.85 H new ATOM 0 HA ASN A 32 -14.171 -20.490 -13.562 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -14.148 -20.746 -10.573 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -15.418 -21.611 -11.415 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -11.791 -23.279 -11.266 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -12.426 -22.050 -10.168 1.00 2.52 H new ATOM 530 N GLN A 33 -16.706 -19.549 -11.723 1.00 0.75 N ATOM 531 CA GLN A 33 -18.096 -19.074 -11.763 1.00 0.67 C ATOM 532 C GLN A 33 -18.362 -18.090 -10.613 1.00 0.56 C ATOM 533 O GLN A 33 -19.498 -18.004 -10.097 1.00 0.71 O ATOM 534 CB GLN A 33 -19.049 -20.275 -11.683 1.00 0.83 C ATOM 535 CG GLN A 33 -18.792 -21.255 -12.837 1.00 1.46 C ATOM 536 CD GLN A 33 -19.951 -22.242 -12.987 1.00 1.85 C ATOM 537 OE1 GLN A 33 -20.288 -22.965 -12.052 1.00 2.11 O ATOM 538 NE2 GLN A 33 -20.562 -22.274 -14.162 1.00 2.67 N ATOM 0 H GLN A 33 -16.414 -19.899 -10.811 1.00 0.75 H new ATOM 0 HA GLN A 33 -18.268 -18.547 -12.701 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -18.917 -20.787 -10.730 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -20.082 -19.928 -11.718 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -18.659 -20.701 -13.766 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -17.866 -21.801 -12.656 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -20.253 -21.658 -14.914 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -21.341 -22.914 -14.314 1.00 2.67 H new ATOM 547 N GLU A 34 -17.305 -17.345 -10.229 1.00 0.53 N ATOM 548 CA GLU A 34 -17.366 -16.351 -9.161 1.00 0.49 C ATOM 549 C GLU A 34 -16.382 -15.229 -9.483 1.00 0.45 C ATOM 550 O GLU A 34 -15.446 -15.422 -10.266 1.00 0.64 O ATOM 551 CB GLU A 34 -17.018 -17.005 -7.818 1.00 0.61 C ATOM 552 CG GLU A 34 -17.547 -16.182 -6.638 1.00 1.25 C ATOM 553 CD GLU A 34 -17.643 -17.027 -5.371 1.00 1.42 C ATOM 554 OE1 GLU A 34 -17.221 -18.201 -5.400 1.00 1.89 O ATOM 555 OE2 GLU A 34 -18.133 -16.519 -4.343 1.00 1.79 O ATOM 0 H GLU A 34 -16.384 -17.424 -10.660 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.373 -15.941 -9.087 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -17.440 -18.009 -7.781 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -15.936 -17.111 -7.733 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -16.889 -15.331 -6.461 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -18.529 -15.779 -6.884 1.00 1.25 H new ATOM 562 N MET A 35 -16.583 -14.061 -8.888 1.00 0.36 N ATOM 563 CA MET A 35 -15.702 -12.919 -9.125 1.00 0.35 C ATOM 564 C MET A 35 -15.558 -12.083 -7.857 1.00 0.32 C ATOM 565 O MET A 35 -16.484 -11.998 -7.044 1.00 0.42 O ATOM 566 CB MET A 35 -16.228 -12.059 -10.288 1.00 0.41 C ATOM 567 CG MET A 35 -17.603 -11.444 -10.002 1.00 0.43 C ATOM 568 SD MET A 35 -18.226 -10.477 -11.391 1.00 0.60 S ATOM 569 CE MET A 35 -17.037 -9.124 -11.440 1.00 1.25 C ATOM 0 H MET A 35 -17.347 -13.877 -8.238 1.00 0.36 H new ATOM 0 HA MET A 35 -14.717 -13.296 -9.400 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.515 -11.261 -10.494 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.290 -12.672 -11.187 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.312 -12.238 -9.769 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.537 -10.807 -9.120 1.00 0.43 H new ATOM 0 HE1 MET A 35 -17.543 -8.206 -11.738 1.00 1.25 H new ATOM 0 HE2 MET A 35 -16.596 -8.991 -10.452 1.00 1.25 H new ATOM 0 HE3 MET A 35 -16.252 -9.355 -12.160 1.00 1.25 H new ATOM 579 N GLY A 36 -14.384 -11.474 -7.697 1.00 0.27 N ATOM 580 CA GLY A 36 -14.078 -10.635 -6.538 1.00 0.29 C ATOM 581 C GLY A 36 -13.758 -9.203 -6.972 1.00 0.25 C ATOM 582 O GLY A 36 -13.094 -8.988 -7.997 1.00 0.28 O ATOM 0 H GLY A 36 -13.618 -11.548 -8.367 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.926 -10.631 -5.853 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.231 -11.053 -5.995 1.00 0.29 H new ATOM 586 N PHE A 37 -14.226 -8.234 -6.181 1.00 0.24 N ATOM 587 CA PHE A 37 -14.001 -6.808 -6.448 1.00 0.25 C ATOM 588 C PHE A 37 -12.917 -6.273 -5.506 1.00 0.25 C ATOM 589 O PHE A 37 -13.158 -6.087 -4.312 1.00 0.40 O ATOM 590 CB PHE A 37 -15.308 -6.027 -6.246 1.00 0.30 C ATOM 591 CG PHE A 37 -16.364 -6.361 -7.280 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.222 -5.922 -8.588 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.479 -7.104 -6.921 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.190 -6.226 -9.531 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.444 -7.407 -7.866 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.294 -6.974 -9.176 1.00 0.33 C ATOM 0 H PHE A 37 -14.771 -8.414 -5.338 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.671 -6.682 -7.479 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.701 -6.239 -5.252 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.096 -4.959 -6.284 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.356 -5.343 -8.872 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.594 -7.446 -5.903 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.080 -5.877 -10.547 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.314 -7.981 -7.584 1.00 0.45 H new ATOM 0 HZ PHE A 37 -19.040 -7.222 -9.916 1.00 0.33 H new ATOM 606 N TYR A 38 -11.725 -6.039 -6.054 1.00 0.20 N ATOM 607 CA TYR A 38 -10.579 -5.534 -5.283 1.00 0.21 C ATOM 608 C TYR A 38 -10.236 -4.099 -5.698 1.00 0.21 C ATOM 609 O TYR A 38 -10.853 -3.531 -6.604 1.00 0.23 O ATOM 610 CB TYR A 38 -9.363 -6.443 -5.514 1.00 0.23 C ATOM 611 CG TYR A 38 -9.617 -7.888 -5.159 1.00 0.27 C ATOM 612 CD1 TYR A 38 -9.387 -8.335 -3.870 1.00 0.42 C ATOM 613 CD2 TYR A 38 -10.077 -8.772 -6.122 1.00 0.27 C ATOM 614 CE1 TYR A 38 -9.613 -9.659 -3.543 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.306 -10.097 -5.793 1.00 0.35 C ATOM 616 CZ TYR A 38 -10.071 -10.534 -4.506 1.00 0.44 C ATOM 617 OH TYR A 38 -10.292 -11.852 -4.180 1.00 0.55 O ATOM 0 H TYR A 38 -11.522 -6.192 -7.042 1.00 0.20 H new ATOM 0 HA TYR A 38 -10.843 -5.535 -4.226 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.066 -6.381 -6.561 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.525 -6.073 -4.923 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -9.030 -7.648 -3.117 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -10.257 -8.427 -7.130 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -9.432 -10.007 -2.537 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.668 -10.786 -6.542 1.00 0.35 H new ATOM 0 HH TYR A 38 -10.614 -12.335 -4.970 1.00 0.55 H new ATOM 627 N LYS A 39 -9.235 -3.518 -5.031 1.00 0.25 N ATOM 628 CA LYS A 39 -8.791 -2.149 -5.324 1.00 0.29 C ATOM 629 C LYS A 39 -7.863 -2.129 -6.548 1.00 0.28 C ATOM 630 O LYS A 39 -7.952 -1.229 -7.377 1.00 0.33 O ATOM 631 CB LYS A 39 -8.077 -1.553 -4.106 1.00 0.36 C ATOM 632 CG LYS A 39 -8.027 -0.028 -4.183 1.00 0.70 C ATOM 633 CD LYS A 39 -7.745 0.589 -2.815 1.00 1.15 C ATOM 634 CE LYS A 39 -7.600 2.109 -2.905 1.00 1.82 C ATOM 635 NZ LYS A 39 -7.468 2.735 -1.555 1.00 2.51 N ATOM 0 H LYS A 39 -8.714 -3.974 -4.282 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.668 -1.543 -5.550 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.593 -1.857 -3.195 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.064 -1.950 -4.046 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -7.254 0.277 -4.888 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -8.975 0.350 -4.566 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -8.554 0.340 -2.128 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -6.832 0.159 -2.402 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -6.725 2.356 -3.507 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -8.467 2.527 -3.416 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -7.372 3.765 -1.658 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -8.314 2.521 -0.989 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -6.626 2.355 -1.077 1.00 2.51 H new ATOM 649 N ASP A 40 -6.977 -3.124 -6.643 1.00 0.28 N ATOM 650 CA ASP A 40 -6.020 -3.243 -7.758 1.00 0.32 C ATOM 651 C ASP A 40 -5.501 -4.685 -7.867 1.00 0.33 C ATOM 652 O ASP A 40 -5.997 -5.593 -7.190 1.00 0.32 O ATOM 653 CB ASP A 40 -4.847 -2.251 -7.573 1.00 0.38 C ATOM 654 CG ASP A 40 -3.825 -2.749 -6.548 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.174 -2.878 -5.359 1.00 0.84 O ATOM 656 OD2 ASP A 40 -2.675 -3.030 -6.940 1.00 0.94 O ATOM 0 H ASP A 40 -6.899 -3.871 -5.953 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.535 -2.993 -8.686 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.351 -2.094 -8.531 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.237 -1.285 -7.254 1.00 0.38 H new ATOM 661 N ALA A 41 -4.487 -4.880 -8.718 1.00 0.40 N ATOM 662 CA ALA A 41 -3.868 -6.196 -8.933 1.00 0.45 C ATOM 663 C ALA A 41 -3.182 -6.713 -7.660 1.00 0.45 C ATOM 664 O ALA A 41 -3.254 -7.906 -7.355 1.00 0.47 O ATOM 665 CB ALA A 41 -2.842 -6.113 -10.067 1.00 0.55 C ATOM 0 H ALA A 41 -4.072 -4.134 -9.276 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.661 -6.894 -9.201 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.388 -7.092 -10.220 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.338 -5.796 -10.984 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -2.068 -5.391 -9.805 1.00 0.55 H new ATOM 671 N LYS A 42 -2.530 -5.816 -6.911 1.00 0.46 N ATOM 672 CA LYS A 42 -1.846 -6.192 -5.663 1.00 0.48 C ATOM 673 C LYS A 42 -2.873 -6.574 -4.597 1.00 0.43 C ATOM 674 O LYS A 42 -2.687 -7.546 -3.858 1.00 0.47 O ATOM 675 CB LYS A 42 -0.975 -5.033 -5.161 1.00 0.54 C ATOM 676 CG LYS A 42 0.062 -4.611 -6.204 1.00 0.77 C ATOM 677 CD LYS A 42 1.017 -3.550 -5.646 1.00 1.12 C ATOM 678 CE LYS A 42 0.550 -2.133 -5.992 1.00 1.96 C ATOM 679 NZ LYS A 42 -0.824 -1.860 -5.481 1.00 2.76 N ATOM 0 H LYS A 42 -2.460 -4.826 -7.145 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.204 -7.050 -5.862 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -1.609 -4.182 -4.914 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.468 -5.330 -4.243 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.632 -5.483 -6.526 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.445 -4.219 -7.085 1.00 0.77 H new ATOM 0 HD2 LYS A 42 1.087 -3.656 -4.563 1.00 1.12 H new ATOM 0 HD3 LYS A 42 2.017 -3.712 -6.048 1.00 1.12 H new ATOM 0 HE2 LYS A 42 1.245 -1.408 -5.569 1.00 1.96 H new ATOM 0 HE3 LYS A 42 0.568 -1.999 -7.074 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 -1.090 -0.880 -5.706 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 -1.497 -2.513 -5.930 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 -0.844 -1.996 -4.450 1.00 2.76 H new ATOM 693 N SER A 43 -3.972 -5.814 -4.541 1.00 0.38 N ATOM 694 CA SER A 43 -5.060 -6.069 -3.587 1.00 0.38 C ATOM 695 C SER A 43 -5.713 -7.430 -3.858 1.00 0.39 C ATOM 696 O SER A 43 -6.123 -8.125 -2.925 1.00 0.45 O ATOM 697 CB SER A 43 -6.109 -4.963 -3.688 1.00 0.37 C ATOM 698 OG SER A 43 -5.548 -3.709 -3.331 1.00 1.04 O ATOM 0 H SER A 43 -4.133 -5.011 -5.149 1.00 0.38 H new ATOM 0 HA SER A 43 -4.641 -6.080 -2.581 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.500 -4.917 -4.704 1.00 0.37 H new ATOM 0 HB3 SER A 43 -6.950 -5.191 -3.033 1.00 0.37 H new ATOM 0 HG SER A 43 -5.030 -3.356 -4.084 1.00 1.04 H new ATOM 704 N ALA A 44 -5.785 -7.806 -5.141 1.00 0.37 N ATOM 705 CA ALA A 44 -6.363 -9.090 -5.561 1.00 0.43 C ATOM 706 C ALA A 44 -5.448 -10.255 -5.153 1.00 0.51 C ATOM 707 O ALA A 44 -5.926 -11.338 -4.816 1.00 0.59 O ATOM 708 CB ALA A 44 -6.581 -9.092 -7.081 1.00 0.43 C ATOM 0 H ALA A 44 -5.446 -7.233 -5.914 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.324 -9.220 -5.063 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -7.010 -10.047 -7.386 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.262 -8.285 -7.352 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.626 -8.945 -7.586 1.00 0.43 H new ATOM 714 N ALA A 45 -4.133 -10.017 -5.184 1.00 0.54 N ATOM 715 CA ALA A 45 -3.135 -11.030 -4.818 1.00 0.64 C ATOM 716 C ALA A 45 -3.016 -11.164 -3.296 1.00 0.68 C ATOM 717 O ALA A 45 -3.005 -12.273 -2.757 1.00 0.76 O ATOM 718 CB ALA A 45 -1.777 -10.651 -5.418 1.00 0.69 C ATOM 0 H ALA A 45 -3.731 -9.122 -5.462 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.457 -11.992 -5.217 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -1.036 -11.403 -5.146 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -1.860 -10.600 -6.504 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.467 -9.680 -5.032 1.00 0.69 H new ATOM 724 N SER A 46 -2.924 -10.024 -2.611 1.00 0.65 N ATOM 725 CA SER A 46 -2.794 -9.989 -1.145 1.00 0.73 C ATOM 726 C SER A 46 -4.107 -10.388 -0.459 1.00 0.74 C ATOM 727 O SER A 46 -4.149 -11.370 0.285 1.00 0.84 O ATOM 728 CB SER A 46 -2.362 -8.587 -0.690 1.00 0.75 C ATOM 729 OG SER A 46 -1.057 -8.289 -1.176 1.00 1.21 O ATOM 0 H SER A 46 -2.937 -9.102 -3.048 1.00 0.65 H new ATOM 0 HA SER A 46 -2.032 -10.712 -0.855 1.00 0.73 H new ATOM 0 HB2 SER A 46 -3.072 -7.844 -1.055 1.00 0.75 H new ATOM 0 HB3 SER A 46 -2.373 -8.531 0.399 1.00 0.75 H new ATOM 0 HG SER A 46 -1.116 -7.982 -2.105 1.00 1.21 H new ATOM 735 N GLY A 47 -5.171 -9.628 -0.713 1.00 0.70 N ATOM 736 CA GLY A 47 -6.487 -9.899 -0.123 1.00 0.74 C ATOM 737 C GLY A 47 -7.053 -8.645 0.544 1.00 0.75 C ATOM 738 O GLY A 47 -7.414 -8.666 1.720 1.00 0.88 O ATOM 0 H GLY A 47 -5.150 -8.814 -1.327 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -7.173 -10.246 -0.896 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -6.403 -10.700 0.611 1.00 0.74 H new ATOM 742 N ILE A 48 -7.150 -7.564 -0.229 1.00 0.67 N ATOM 743 CA ILE A 48 -7.693 -6.287 0.249 1.00 0.72 C ATOM 744 C ILE A 48 -8.999 -6.022 -0.503 1.00 0.75 C ATOM 745 O ILE A 48 -8.982 -5.731 -1.700 1.00 0.75 O ATOM 746 CB ILE A 48 -6.672 -5.160 0.018 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.438 -5.369 0.905 1.00 0.78 C ATOM 748 CG2 ILE A 48 -7.283 -3.782 0.293 1.00 0.82 C ATOM 749 CD1 ILE A 48 -4.204 -4.659 0.349 1.00 0.97 C ATOM 0 H ILE A 48 -6.855 -7.546 -1.205 1.00 0.67 H new ATOM 0 HA ILE A 48 -7.893 -6.327 1.320 1.00 0.72 H new ATOM 0 HB ILE A 48 -6.374 -5.195 -1.030 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -5.647 -4.999 1.909 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -5.233 -6.436 0.994 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -6.533 -3.010 0.120 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -8.131 -3.620 -0.373 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -7.621 -3.734 1.328 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -3.355 -4.835 1.009 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -3.978 -5.047 -0.644 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -4.398 -3.588 0.285 1.00 0.97 H new ATOM 761 N PRO A 49 -10.151 -6.167 0.183 1.00 0.84 N ATOM 762 CA PRO A 49 -11.481 -5.987 -0.435 1.00 0.93 C ATOM 763 C PRO A 49 -11.856 -4.525 -0.697 1.00 0.93 C ATOM 764 O PRO A 49 -11.286 -3.596 -0.109 1.00 1.08 O ATOM 765 CB PRO A 49 -12.439 -6.618 0.577 1.00 1.07 C ATOM 766 CG PRO A 49 -11.739 -6.544 1.892 1.00 1.06 C ATOM 767 CD PRO A 49 -10.256 -6.553 1.606 1.00 0.92 C ATOM 0 HA PRO A 49 -11.513 -6.444 -1.424 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -13.387 -6.081 0.607 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -12.666 -7.650 0.311 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -12.022 -5.639 2.429 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -12.015 -7.389 2.523 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -9.724 -5.851 2.248 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -9.824 -7.538 1.783 1.00 0.92 H new ATOM 775 N TYR A 50 -12.840 -4.349 -1.575 1.00 0.87 N ATOM 776 CA TYR A 50 -13.366 -3.035 -1.954 1.00 0.91 C ATOM 777 C TYR A 50 -14.888 -3.062 -1.797 1.00 1.12 C ATOM 778 O TYR A 50 -15.537 -4.013 -2.237 1.00 1.91 O ATOM 779 CB TYR A 50 -12.981 -2.729 -3.410 1.00 0.92 C ATOM 780 CG TYR A 50 -12.995 -1.253 -3.744 1.00 0.94 C ATOM 781 CD1 TYR A 50 -11.858 -0.485 -3.554 1.00 1.02 C ATOM 782 CD2 TYR A 50 -14.152 -0.664 -4.228 1.00 1.13 C ATOM 783 CE1 TYR A 50 -11.879 0.868 -3.851 1.00 1.13 C ATOM 784 CE2 TYR A 50 -14.169 0.688 -4.526 1.00 1.24 C ATOM 785 CZ TYR A 50 -13.010 1.438 -4.375 1.00 1.17 C ATOM 786 OH TYR A 50 -13.056 2.791 -4.629 1.00 1.34 O ATOM 0 H TYR A 50 -13.302 -5.124 -2.051 1.00 0.87 H new ATOM 0 HA TYR A 50 -12.947 -2.257 -1.316 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -11.985 -3.127 -3.605 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -13.669 -3.250 -4.076 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -10.955 -0.941 -3.174 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -15.041 -1.260 -4.373 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -11.004 1.474 -3.670 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -15.078 1.156 -4.874 1.00 1.24 H new ATOM 0 HH TYR A 50 -13.933 3.025 -5.000 1.00 1.34 H new ATOM 796 N HIS A 51 -15.447 -2.036 -1.148 1.00 1.28 N ATOM 797 CA HIS A 51 -16.902 -1.939 -0.897 1.00 1.53 C ATOM 798 C HIS A 51 -17.349 -3.027 0.102 1.00 1.61 C ATOM 799 O HIS A 51 -16.515 -3.744 0.670 1.00 2.07 O ATOM 800 CB HIS A 51 -17.706 -2.025 -2.224 1.00 2.01 C ATOM 801 CG HIS A 51 -18.276 -0.707 -2.661 1.00 2.54 C ATOM 802 ND1 HIS A 51 -19.482 -0.231 -2.227 1.00 3.19 N ATOM 803 CD2 HIS A 51 -17.807 0.247 -3.505 1.00 2.89 C ATOM 804 CE1 HIS A 51 -19.750 0.935 -2.757 1.00 3.87 C ATOM 805 NE2 HIS A 51 -18.743 1.265 -3.549 1.00 3.74 N ATOM 0 H HIS A 51 -14.913 -1.249 -0.780 1.00 1.28 H new ATOM 0 HA HIS A 51 -17.110 -0.965 -0.453 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -17.056 -2.410 -3.010 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -18.518 -2.742 -2.102 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -16.872 0.217 -4.045 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -20.637 1.524 -2.579 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -18.669 2.122 -4.097 1.00 3.74 H new ATOM 813 N SER A 52 -18.661 -3.145 0.326 1.00 1.60 N ATOM 814 CA SER A 52 -19.202 -4.140 1.263 1.00 1.96 C ATOM 815 C SER A 52 -19.210 -5.539 0.633 1.00 1.85 C ATOM 816 O SER A 52 -18.598 -6.468 1.164 1.00 2.45 O ATOM 817 CB SER A 52 -20.619 -3.746 1.702 1.00 2.44 C ATOM 818 OG SER A 52 -20.630 -2.436 2.264 1.00 2.65 O ATOM 0 H SER A 52 -19.369 -2.566 -0.127 1.00 1.60 H new ATOM 0 HA SER A 52 -18.556 -4.165 2.141 1.00 1.96 H new ATOM 0 HB2 SER A 52 -21.293 -3.785 0.847 1.00 2.44 H new ATOM 0 HB3 SER A 52 -20.990 -4.463 2.434 1.00 2.44 H new ATOM 0 HG SER A 52 -21.543 -2.204 2.535 1.00 2.65 H new ATOM 824 N GLU A 53 -19.906 -5.681 -0.500 1.00 1.45 N ATOM 825 CA GLU A 53 -20.001 -6.961 -1.209 1.00 1.37 C ATOM 826 C GLU A 53 -18.747 -7.184 -2.058 1.00 1.08 C ATOM 827 O GLU A 53 -18.599 -6.579 -3.122 1.00 1.24 O ATOM 828 CB GLU A 53 -21.250 -6.987 -2.108 1.00 1.73 C ATOM 829 CG GLU A 53 -22.479 -6.404 -1.404 1.00 2.39 C ATOM 830 CD GLU A 53 -22.722 -4.964 -1.838 1.00 2.88 C ATOM 831 OE1 GLU A 53 -21.795 -4.137 -1.718 1.00 3.23 O ATOM 832 OE2 GLU A 53 -23.836 -4.657 -2.307 1.00 3.46 O ATOM 0 H GLU A 53 -20.415 -4.919 -0.948 1.00 1.45 H new ATOM 0 HA GLU A 53 -20.083 -7.760 -0.472 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -21.052 -6.422 -3.019 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -21.458 -8.014 -2.409 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -23.356 -7.010 -1.633 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -22.337 -6.444 -0.324 1.00 2.39 H new ATOM 839 N VAL A 54 -17.842 -8.042 -1.581 1.00 0.84 N ATOM 840 CA VAL A 54 -16.589 -8.333 -2.296 1.00 0.66 C ATOM 841 C VAL A 54 -16.740 -9.571 -3.194 1.00 0.55 C ATOM 842 O VAL A 54 -16.419 -9.510 -4.379 1.00 0.49 O ATOM 843 CB VAL A 54 -15.408 -8.519 -1.314 1.00 0.81 C ATOM 844 CG1 VAL A 54 -14.100 -8.063 -1.969 1.00 0.77 C ATOM 845 CG2 VAL A 54 -15.642 -7.762 -0.002 1.00 1.34 C ATOM 0 H VAL A 54 -17.950 -8.549 -0.703 1.00 0.84 H new ATOM 0 HA VAL A 54 -16.369 -7.473 -2.929 1.00 0.66 H new ATOM 0 HB VAL A 54 -15.335 -9.580 -1.074 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -13.276 -8.198 -1.269 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -13.916 -8.656 -2.865 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -14.177 -7.010 -2.240 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -14.792 -7.916 0.663 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -15.752 -6.698 -0.211 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -16.549 -8.134 0.476 1.00 1.34 H new ATOM 855 N PRO A 55 -17.223 -10.719 -2.652 1.00 0.62 N ATOM 856 CA PRO A 55 -17.405 -11.954 -3.425 1.00 0.59 C ATOM 857 C PRO A 55 -18.806 -12.037 -4.038 1.00 0.58 C ATOM 858 O PRO A 55 -19.808 -12.098 -3.315 1.00 0.83 O ATOM 859 CB PRO A 55 -17.187 -13.052 -2.379 1.00 0.76 C ATOM 860 CG PRO A 55 -17.516 -12.426 -1.052 1.00 0.87 C ATOM 861 CD PRO A 55 -17.648 -10.926 -1.259 1.00 0.83 C ATOM 0 HA PRO A 55 -16.725 -12.028 -4.273 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -17.828 -13.912 -2.575 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -16.158 -13.411 -2.398 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -18.444 -12.839 -0.656 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -16.734 -12.643 -0.324 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -18.673 -10.590 -1.100 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -17.019 -10.370 -0.563 1.00 0.83 H new ATOM 869 N VAL A 56 -18.871 -12.032 -5.363 1.00 0.41 N ATOM 870 CA VAL A 56 -20.144 -12.103 -6.088 1.00 0.43 C ATOM 871 C VAL A 56 -20.121 -13.286 -7.061 1.00 0.42 C ATOM 872 O VAL A 56 -19.116 -13.529 -7.734 1.00 0.43 O ATOM 873 CB VAL A 56 -20.388 -10.777 -6.829 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.654 -10.843 -7.684 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.485 -9.617 -5.828 1.00 0.63 C ATOM 0 H VAL A 56 -18.051 -11.979 -5.967 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.962 -12.259 -5.385 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.541 -10.604 -7.493 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.798 -9.891 -8.195 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.554 -11.639 -8.422 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.514 -11.046 -7.046 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.658 -8.685 -6.367 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -21.312 -9.798 -5.141 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.555 -9.544 -5.265 1.00 0.63 H new ATOM 885 N SER A 57 -21.232 -14.021 -7.115 1.00 0.47 N ATOM 886 CA SER A 57 -21.374 -15.186 -7.980 1.00 0.48 C ATOM 887 C SER A 57 -21.575 -14.760 -9.439 1.00 0.46 C ATOM 888 O SER A 57 -22.348 -13.841 -9.731 1.00 0.59 O ATOM 889 CB SER A 57 -22.554 -16.020 -7.493 1.00 0.61 C ATOM 890 OG SER A 57 -22.584 -16.093 -6.068 1.00 0.91 O ATOM 0 H SER A 57 -22.061 -13.822 -6.556 1.00 0.47 H new ATOM 0 HA SER A 57 -20.463 -15.784 -7.936 1.00 0.48 H new ATOM 0 HB2 SER A 57 -23.485 -15.584 -7.857 1.00 0.61 H new ATOM 0 HB3 SER A 57 -22.488 -17.025 -7.910 1.00 0.61 H new ATOM 0 HG SER A 57 -23.352 -16.632 -5.784 1.00 0.91 H new ATOM 896 N LEU A 58 -20.873 -15.437 -10.349 1.00 0.44 N ATOM 897 CA LEU A 58 -20.946 -15.151 -11.784 1.00 0.49 C ATOM 898 C LEU A 58 -21.309 -16.425 -12.551 1.00 0.60 C ATOM 899 O LEU A 58 -20.712 -16.734 -13.577 1.00 0.89 O ATOM 900 CB LEU A 58 -19.590 -14.600 -12.260 1.00 0.67 C ATOM 901 CG LEU A 58 -19.713 -13.803 -13.563 1.00 0.70 C ATOM 902 CD1 LEU A 58 -20.453 -12.489 -13.321 1.00 0.60 C ATOM 903 CD2 LEU A 58 -18.332 -13.531 -14.162 1.00 0.86 C ATOM 0 H LEU A 58 -20.238 -16.199 -10.113 1.00 0.44 H new ATOM 0 HA LEU A 58 -21.719 -14.405 -11.972 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.167 -13.962 -11.484 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -18.895 -15.427 -12.406 1.00 0.67 H new ATOM 0 HG LEU A 58 -20.287 -14.399 -14.273 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -20.530 -11.937 -14.258 1.00 0.60 H new ATOM 0 HD12 LEU A 58 -21.452 -12.699 -12.940 1.00 0.60 H new ATOM 0 HD13 LEU A 58 -19.905 -11.892 -12.592 1.00 0.60 H new ATOM 0 HD21 LEU A 58 -18.442 -12.964 -15.086 1.00 0.86 H new ATOM 0 HD22 LEU A 58 -17.735 -12.957 -13.453 1.00 0.86 H new ATOM 0 HD23 LEU A 58 -17.834 -14.477 -14.374 1.00 0.86 H new ATOM 915 N LYS A 59 -22.294 -17.161 -12.046 1.00 0.70 N ATOM 916 CA LYS A 59 -22.743 -18.399 -12.680 1.00 0.90 C ATOM 917 C LYS A 59 -23.911 -18.099 -13.622 1.00 0.87 C ATOM 918 O LYS A 59 -25.003 -17.743 -13.171 1.00 0.95 O ATOM 919 CB LYS A 59 -23.167 -19.410 -11.606 1.00 1.13 C ATOM 920 CG LYS A 59 -23.115 -20.845 -12.134 1.00 1.41 C ATOM 921 CD LYS A 59 -24.474 -21.540 -12.007 1.00 1.78 C ATOM 922 CE LYS A 59 -24.468 -22.888 -12.731 1.00 2.18 C ATOM 923 NZ LYS A 59 -25.706 -23.669 -12.458 1.00 2.83 N ATOM 0 H LYS A 59 -22.800 -16.921 -11.194 1.00 0.70 H new ATOM 0 HA LYS A 59 -21.925 -18.828 -13.259 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -22.513 -19.317 -10.739 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -24.178 -19.182 -11.269 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -22.805 -20.838 -13.179 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -22.363 -21.410 -11.582 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -24.714 -21.689 -10.954 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -25.253 -20.902 -12.424 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -24.372 -22.724 -13.804 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -23.598 -23.465 -12.417 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -25.664 -24.575 -12.966 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -25.785 -23.848 -11.437 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -26.535 -23.130 -12.780 1.00 2.83 H new ATOM 937 N GLU A 60 -23.667 -18.233 -14.930 1.00 0.89 N ATOM 938 CA GLU A 60 -24.680 -17.977 -15.970 1.00 0.93 C ATOM 939 C GLU A 60 -25.176 -16.527 -15.928 1.00 0.71 C ATOM 940 O GLU A 60 -26.383 -16.273 -15.893 1.00 0.82 O ATOM 941 CB GLU A 60 -25.870 -18.937 -15.828 1.00 1.20 C ATOM 942 CG GLU A 60 -25.431 -20.399 -15.836 1.00 1.43 C ATOM 943 CD GLU A 60 -26.645 -21.309 -15.950 1.00 1.80 C ATOM 944 OE1 GLU A 60 -27.757 -20.876 -15.590 1.00 2.04 O ATOM 945 OE2 GLU A 60 -26.490 -22.469 -16.389 1.00 2.33 O ATOM 0 H GLU A 60 -22.762 -18.522 -15.302 1.00 0.89 H new ATOM 0 HA GLU A 60 -24.200 -18.149 -16.933 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -26.400 -18.723 -14.900 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -26.573 -18.765 -16.643 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -24.753 -20.579 -16.670 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -24.881 -20.627 -14.923 1.00 1.43 H new ATOM 952 N ALA A 61 -24.237 -15.586 -15.936 1.00 0.51 N ATOM 953 CA ALA A 61 -24.557 -14.158 -15.905 1.00 0.35 C ATOM 954 C ALA A 61 -24.756 -13.632 -17.324 1.00 0.35 C ATOM 955 O ALA A 61 -23.973 -13.945 -18.228 1.00 0.43 O ATOM 956 CB ALA A 61 -23.428 -13.392 -15.218 1.00 0.31 C ATOM 0 H ALA A 61 -23.237 -15.787 -15.964 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.481 -14.013 -15.345 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.670 -12.329 -15.197 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.308 -13.757 -14.198 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.499 -13.542 -15.768 1.00 0.31 H new ATOM 962 N ILE A 62 -25.798 -12.830 -17.514 1.00 0.34 N ATOM 963 CA ILE A 62 -26.103 -12.248 -18.823 1.00 0.37 C ATOM 964 C ILE A 62 -25.304 -10.956 -19.002 1.00 0.31 C ATOM 965 O ILE A 62 -25.256 -10.118 -18.100 1.00 0.31 O ATOM 966 CB ILE A 62 -27.606 -11.965 -18.961 1.00 0.46 C ATOM 967 CG1 ILE A 62 -28.434 -13.204 -18.595 1.00 0.53 C ATOM 968 CG2 ILE A 62 -27.939 -11.511 -20.386 1.00 0.57 C ATOM 969 CD1 ILE A 62 -29.936 -12.920 -18.672 1.00 1.27 C ATOM 0 H ILE A 62 -26.451 -12.565 -16.776 1.00 0.34 H new ATOM 0 HA ILE A 62 -25.823 -12.961 -19.598 1.00 0.37 H new ATOM 0 HB ILE A 62 -27.862 -11.164 -18.268 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -28.183 -14.023 -19.269 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.176 -13.530 -17.588 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.008 -11.315 -20.465 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -27.385 -10.601 -20.617 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -27.661 -12.294 -21.092 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -30.491 -13.820 -18.406 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -30.191 -12.119 -17.978 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -30.198 -12.619 -19.686 1.00 1.27 H new ATOM 981 N CYS A 63 -24.673 -10.812 -20.160 1.00 0.34 N ATOM 982 CA CYS A 63 -23.861 -9.640 -20.472 1.00 0.33 C ATOM 983 C CYS A 63 -24.350 -9.011 -21.778 1.00 0.34 C ATOM 984 O CYS A 63 -24.223 -9.611 -22.846 1.00 0.52 O ATOM 985 CB CYS A 63 -22.388 -10.064 -20.577 1.00 0.37 C ATOM 986 SG CYS A 63 -21.260 -8.838 -19.903 1.00 0.53 S ATOM 0 H CYS A 63 -24.709 -11.503 -20.910 1.00 0.34 H new ATOM 0 HA CYS A 63 -23.953 -8.895 -19.682 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.248 -11.008 -20.050 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -22.140 -10.243 -21.623 1.00 0.37 H new ATOM 0 HG CYS A 63 -21.649 -7.649 -20.257 1.00 0.53 H new ATOM 992 N GLU A 64 -24.922 -7.809 -21.687 1.00 0.26 N ATOM 993 CA GLU A 64 -25.445 -7.101 -22.859 1.00 0.29 C ATOM 994 C GLU A 64 -24.537 -5.919 -23.192 1.00 0.24 C ATOM 995 O GLU A 64 -24.413 -4.981 -22.401 1.00 0.36 O ATOM 996 CB GLU A 64 -26.874 -6.603 -22.586 1.00 0.33 C ATOM 997 CG GLU A 64 -27.769 -7.702 -22.002 1.00 0.81 C ATOM 998 CD GLU A 64 -29.171 -7.160 -21.768 1.00 1.41 C ATOM 999 OE1 GLU A 64 -29.963 -7.108 -22.729 1.00 1.83 O ATOM 1000 OE2 GLU A 64 -29.481 -6.763 -20.628 1.00 1.96 O ATOM 0 H GLU A 64 -25.036 -7.302 -20.809 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.470 -7.787 -23.706 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -26.838 -5.761 -21.895 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.312 -6.235 -23.514 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -27.808 -8.552 -22.684 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -27.349 -8.065 -21.064 1.00 0.81 H new ATOM 1007 N VAL A 65 -23.901 -5.965 -24.360 1.00 0.34 N ATOM 1008 CA VAL A 65 -22.997 -4.899 -24.795 1.00 0.32 C ATOM 1009 C VAL A 65 -23.766 -3.604 -25.096 1.00 0.31 C ATOM 1010 O VAL A 65 -24.789 -3.607 -25.788 1.00 0.43 O ATOM 1011 CB VAL A 65 -22.168 -5.355 -26.019 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -22.970 -6.248 -26.967 1.00 0.39 C ATOM 1013 CG2 VAL A 65 -21.576 -4.165 -26.783 1.00 0.34 C ATOM 0 H VAL A 65 -23.995 -6.732 -25.026 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.307 -4.686 -23.978 1.00 0.32 H new ATOM 0 HB VAL A 65 -21.346 -5.949 -25.620 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -22.343 -6.540 -27.809 1.00 0.39 H new ATOM 0 HG12 VAL A 65 -23.301 -7.139 -26.434 1.00 0.39 H new ATOM 0 HG13 VAL A 65 -23.839 -5.701 -27.334 1.00 0.39 H new ATOM 0 HG21 VAL A 65 -21.001 -4.529 -27.635 1.00 0.34 H new ATOM 0 HG22 VAL A 65 -22.382 -3.522 -27.137 1.00 0.34 H new ATOM 0 HG23 VAL A 65 -20.923 -3.596 -26.121 1.00 0.34 H new ATOM 1023 N ALA A 66 -23.236 -2.505 -24.568 1.00 0.25 N ATOM 1024 CA ALA A 66 -23.784 -1.165 -24.742 1.00 0.31 C ATOM 1025 C ALA A 66 -22.689 -0.295 -25.372 1.00 0.34 C ATOM 1026 O ALA A 66 -21.978 0.440 -24.679 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.241 -0.606 -23.381 1.00 0.36 C ATOM 0 H ALA A 66 -22.393 -2.522 -23.994 1.00 0.25 H new ATOM 0 HA ALA A 66 -24.657 -1.177 -25.394 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.649 0.395 -23.518 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.008 -1.256 -22.959 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.390 -0.561 -22.702 1.00 0.36 H new ATOM 1033 N LEU A 67 -22.537 -0.429 -26.696 1.00 0.55 N ATOM 1034 CA LEU A 67 -21.513 0.288 -27.484 1.00 0.71 C ATOM 1035 C LEU A 67 -21.503 1.797 -27.204 1.00 0.89 C ATOM 1036 O LEU A 67 -20.433 2.394 -27.095 1.00 1.22 O ATOM 1037 CB LEU A 67 -21.759 0.020 -28.975 1.00 0.76 C ATOM 1038 CG LEU A 67 -20.611 0.524 -29.864 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -19.275 -0.091 -29.437 1.00 1.38 C ATOM 1040 CD2 LEU A 67 -20.899 0.216 -31.335 1.00 1.39 C ATOM 0 H LEU A 67 -23.125 -1.043 -27.260 1.00 0.55 H new ATOM 0 HA LEU A 67 -20.533 -0.086 -27.188 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -21.891 -1.051 -29.131 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -22.688 0.503 -29.279 1.00 0.76 H new ATOM 0 HG LEU A 67 -20.538 1.605 -29.743 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -18.480 0.282 -30.082 1.00 1.38 H new ATOM 0 HD12 LEU A 67 -19.062 0.183 -28.404 1.00 1.38 H new ATOM 0 HD13 LEU A 67 -19.331 -1.176 -29.521 1.00 1.38 H new ATOM 0 HD21 LEU A 67 -20.076 0.580 -31.951 1.00 1.39 H new ATOM 0 HD22 LEU A 67 -21.003 -0.861 -31.468 1.00 1.39 H new ATOM 0 HD23 LEU A 67 -21.823 0.710 -31.636 1.00 1.39 H new ATOM 1052 N ASP A 68 -22.683 2.401 -27.083 1.00 0.90 N ATOM 1053 CA ASP A 68 -22.804 3.836 -26.803 1.00 1.14 C ATOM 1054 C ASP A 68 -23.913 4.051 -25.773 1.00 0.87 C ATOM 1055 O ASP A 68 -25.059 4.338 -26.128 1.00 1.00 O ATOM 1056 CB ASP A 68 -23.098 4.609 -28.102 1.00 1.59 C ATOM 1057 CG ASP A 68 -22.745 6.090 -27.958 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -22.934 6.646 -26.858 1.00 2.62 O ATOM 1059 OD2 ASP A 68 -22.277 6.705 -28.940 1.00 3.07 O ATOM 0 H ASP A 68 -23.577 1.918 -27.175 1.00 0.90 H new ATOM 0 HA ASP A 68 -21.866 4.214 -26.397 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -22.528 4.175 -28.923 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -24.153 4.507 -28.358 1.00 1.59 H new ATOM 1064 N TYR A 69 -23.564 3.896 -24.496 1.00 0.81 N ATOM 1065 CA TYR A 69 -24.519 4.062 -23.395 1.00 0.69 C ATOM 1066 C TYR A 69 -24.528 5.514 -22.908 1.00 0.97 C ATOM 1067 O TYR A 69 -23.973 5.834 -21.859 1.00 1.47 O ATOM 1068 CB TYR A 69 -24.175 3.107 -22.235 1.00 0.58 C ATOM 1069 CG TYR A 69 -25.064 3.318 -21.022 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.428 3.080 -21.097 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -24.507 3.722 -19.820 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -27.223 3.238 -19.975 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -25.305 3.887 -18.702 1.00 0.64 C ATOM 1074 CZ TYR A 69 -26.708 3.764 -18.844 1.00 0.76 C ATOM 1075 OH TYR A 69 -27.442 3.792 -17.666 1.00 0.97 O ATOM 0 H TYR A 69 -22.620 3.654 -24.195 1.00 0.81 H new ATOM 0 HA TYR A 69 -25.515 3.815 -23.762 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -24.272 2.076 -22.577 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -23.134 3.251 -21.947 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -26.871 2.771 -22.032 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -23.445 3.909 -19.755 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -28.260 2.939 -20.005 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -24.866 4.105 -17.740 1.00 0.64 H new ATOM 0 HH TYR A 69 -26.907 4.207 -16.957 1.00 0.97 H new ATOM 1173 N HIS A 74 -18.071 1.732 -25.228 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.624 0.380 -24.842 1.00 0.38 C ATOM 1175 C HIS A 74 -18.003 0.029 -23.398 1.00 0.30 C ATOM 1176 O HIS A 74 -17.143 -0.274 -22.568 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.104 0.215 -25.069 1.00 0.64 C ATOM 1178 CG HIS A 74 -15.618 0.825 -26.356 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -15.790 0.253 -27.593 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -14.983 1.995 -26.605 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -15.300 1.019 -28.537 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -14.794 2.097 -27.969 1.00 1.53 N ATOM 0 HA HIS A 74 -18.149 -0.324 -25.488 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.569 0.671 -24.236 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -15.857 -0.847 -25.064 1.00 0.64 H new ATOM 0 HD1 HIS A 74 -16.239 -0.648 -27.755 1.00 1.30 H new ATOM 0 HD2 HIS A 74 -14.678 2.721 -25.866 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -15.309 0.805 -29.596 1.00 1.47 H new ATOM 1190 N VAL A 75 -19.305 0.032 -23.125 1.00 0.26 N ATOM 1191 CA VAL A 75 -19.850 -0.320 -21.811 1.00 0.23 C ATOM 1192 C VAL A 75 -20.698 -1.583 -21.972 1.00 0.22 C ATOM 1193 O VAL A 75 -21.286 -1.790 -23.025 1.00 0.26 O ATOM 1194 CB VAL A 75 -20.718 0.840 -21.276 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.410 0.466 -19.963 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -19.876 2.100 -21.085 1.00 0.31 C ATOM 0 H VAL A 75 -20.018 0.280 -23.811 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.043 -0.500 -21.101 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.490 1.039 -22.019 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.012 1.306 -19.617 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.053 -0.399 -20.124 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -20.658 0.224 -19.212 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.506 2.905 -20.708 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.077 1.899 -20.371 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.442 2.396 -22.040 1.00 0.31 H new ATOM 1206 N PHE A 76 -20.772 -2.420 -20.945 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.581 -3.641 -21.011 1.00 0.23 C ATOM 1208 C PHE A 76 -22.436 -3.769 -19.755 1.00 0.22 C ATOM 1209 O PHE A 76 -21.978 -3.493 -18.641 1.00 0.27 O ATOM 1210 CB PHE A 76 -20.709 -4.889 -21.236 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.602 -5.110 -20.226 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -18.357 -4.526 -20.414 1.00 0.26 C ATOM 1213 CD2 PHE A 76 -19.815 -5.942 -19.138 1.00 0.27 C ATOM 1214 CE1 PHE A 76 -17.335 -4.774 -19.514 1.00 0.28 C ATOM 1215 CE2 PHE A 76 -18.794 -6.182 -18.236 1.00 0.29 C ATOM 1216 CZ PHE A 76 -17.551 -5.602 -18.426 1.00 0.29 C ATOM 0 H PHE A 76 -20.286 -2.281 -20.059 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.245 -3.567 -21.872 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.356 -5.766 -21.236 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.262 -4.823 -22.228 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -18.186 -3.879 -21.262 1.00 0.26 H new ATOM 0 HD2 PHE A 76 -20.781 -6.404 -18.994 1.00 0.27 H new ATOM 0 HE1 PHE A 76 -16.366 -4.320 -19.661 1.00 0.28 H new ATOM 0 HE2 PHE A 76 -18.966 -6.822 -17.383 1.00 0.29 H new ATOM 0 HZ PHE A 76 -16.751 -5.795 -17.726 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.688 -4.171 -19.953 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.657 -4.332 -18.874 1.00 0.28 C ATOM 1228 C LYS A 77 -24.624 -5.767 -18.368 1.00 0.31 C ATOM 1229 O LYS A 77 -24.998 -6.699 -19.087 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.059 -3.982 -19.383 1.00 0.36 C ATOM 1231 CG LYS A 77 -27.080 -3.949 -18.235 1.00 1.20 C ATOM 1232 CD LYS A 77 -28.225 -2.973 -18.522 1.00 1.33 C ATOM 1233 CE LYS A 77 -29.224 -3.542 -19.539 1.00 1.76 C ATOM 1234 NZ LYS A 77 -29.939 -4.744 -19.014 1.00 1.95 N ATOM 0 H LYS A 77 -24.062 -4.396 -20.875 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.402 -3.661 -18.053 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.036 -3.012 -19.879 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.371 -4.714 -20.128 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -27.485 -4.949 -18.079 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -26.579 -3.661 -17.311 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -28.746 -2.742 -17.593 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -27.816 -2.036 -18.900 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -29.952 -2.774 -19.800 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -28.696 -3.806 -20.455 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -29.459 -5.605 -19.344 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -29.936 -4.723 -17.974 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -30.921 -4.742 -19.357 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.161 -5.930 -17.138 1.00 0.23 N ATOM 1249 CA LEU A 78 -24.050 -7.237 -16.500 1.00 0.24 C ATOM 1250 C LEU A 78 -25.253 -7.500 -15.602 1.00 0.29 C ATOM 1251 O LEU A 78 -25.426 -6.836 -14.579 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.755 -7.310 -15.669 1.00 0.30 C ATOM 1253 CG LEU A 78 -21.812 -8.386 -16.199 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -20.603 -8.541 -15.275 1.00 0.86 C ATOM 1255 CD2 LEU A 78 -22.535 -9.728 -16.365 1.00 0.30 C ATOM 0 H LEU A 78 -23.850 -5.157 -16.550 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.022 -7.999 -17.279 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -22.253 -6.343 -15.689 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -23.000 -7.520 -14.628 1.00 0.30 H new ATOM 0 HG LEU A 78 -21.463 -8.070 -17.182 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -19.941 -9.313 -15.668 1.00 0.86 H new ATOM 0 HD12 LEU A 78 -20.064 -7.595 -15.219 1.00 0.86 H new ATOM 0 HD13 LEU A 78 -20.941 -8.826 -14.279 1.00 0.86 H new ATOM 0 HD21 LEU A 78 -21.836 -10.473 -16.744 1.00 0.30 H new ATOM 0 HD22 LEU A 78 -22.924 -10.053 -15.400 1.00 0.30 H new ATOM 0 HD23 LEU A 78 -23.359 -9.613 -17.069 1.00 0.30 H new ATOM 1267 N ARG A 79 -26.053 -8.494 -15.974 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.220 -8.898 -15.196 1.00 0.40 C ATOM 1269 C ARG A 79 -26.898 -10.242 -14.556 1.00 0.45 C ATOM 1270 O ARG A 79 -27.017 -11.299 -15.189 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.465 -8.991 -16.090 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.727 -9.236 -15.261 1.00 1.11 C ATOM 1273 CD ARG A 79 -30.989 -9.187 -16.124 1.00 1.51 C ATOM 1274 NE ARG A 79 -31.408 -7.802 -16.360 1.00 1.91 N ATOM 1275 CZ ARG A 79 -32.684 -7.482 -16.546 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -33.445 -7.194 -15.501 1.00 2.99 N ATOM 1277 NH2 ARG A 79 -33.184 -7.445 -17.771 1.00 2.93 N ATOM 0 H ARG A 79 -25.911 -9.042 -16.822 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.442 -8.160 -14.426 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.575 -8.069 -16.661 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.338 -9.799 -16.811 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.658 -10.208 -14.772 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -29.796 -8.486 -14.473 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -30.802 -9.682 -17.077 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -31.792 -9.735 -15.632 1.00 1.51 H new ATOM 0 HE ARG A 79 -30.702 -7.066 -16.382 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -33.051 -7.219 -14.561 1.00 2.99 H new ATOM 0 HH12 ARG A 79 -34.425 -6.947 -15.637 1.00 2.99 H new ATOM 0 HH21 ARG A 79 -32.590 -7.662 -18.571 1.00 2.93 H new ATOM 0 HH22 ARG A 79 -34.164 -7.199 -17.915 1.00 2.93 H new ATOM 1291 N LEU A 80 -26.449 -10.188 -13.305 1.00 0.54 N ATOM 1292 CA LEU A 80 -26.058 -11.388 -12.555 1.00 0.68 C ATOM 1293 C LEU A 80 -27.287 -12.225 -12.194 1.00 0.84 C ATOM 1294 O LEU A 80 -28.397 -11.698 -12.084 1.00 1.06 O ATOM 1295 CB LEU A 80 -25.294 -10.991 -11.282 1.00 0.82 C ATOM 1296 CG LEU A 80 -24.178 -9.973 -11.568 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -23.288 -9.801 -10.343 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -23.338 -10.402 -12.768 1.00 1.26 C ATOM 0 H LEU A 80 -26.345 -9.319 -12.781 1.00 0.54 H new ATOM 0 HA LEU A 80 -25.405 -11.991 -13.186 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -25.992 -10.569 -10.558 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -24.862 -11.882 -10.826 1.00 0.82 H new ATOM 0 HG LEU A 80 -24.648 -9.018 -11.802 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -22.503 -9.077 -10.562 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -23.887 -9.444 -9.505 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -22.836 -10.759 -10.084 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -22.556 -9.664 -12.948 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -22.882 -11.371 -12.565 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -23.975 -10.478 -13.649 1.00 1.26 H new ATOM 1310 N SER A 81 -27.072 -13.533 -12.007 1.00 1.01 N ATOM 1311 CA SER A 81 -28.141 -14.483 -11.657 1.00 1.23 C ATOM 1312 C SER A 81 -28.850 -14.088 -10.347 1.00 1.40 C ATOM 1313 O SER A 81 -29.998 -14.468 -10.113 1.00 1.92 O ATOM 1314 CB SER A 81 -27.553 -15.904 -11.561 1.00 1.52 C ATOM 1315 OG SER A 81 -26.123 -15.881 -11.520 1.00 2.18 O ATOM 0 H SER A 81 -26.152 -13.965 -12.094 1.00 1.01 H new ATOM 0 HA SER A 81 -28.896 -14.459 -12.443 1.00 1.23 H new ATOM 0 HB2 SER A 81 -27.935 -16.397 -10.667 1.00 1.52 H new ATOM 0 HB3 SER A 81 -27.884 -16.494 -12.416 1.00 1.52 H new ATOM 0 HG SER A 81 -25.769 -16.653 -12.010 1.00 2.18 H new ATOM 1321 N ASP A 82 -28.156 -13.307 -9.513 1.00 1.33 N ATOM 1322 CA ASP A 82 -28.694 -12.823 -8.231 1.00 1.76 C ATOM 1323 C ASP A 82 -29.801 -11.779 -8.463 1.00 1.31 C ATOM 1324 O ASP A 82 -30.719 -11.647 -7.651 1.00 1.74 O ATOM 1325 CB ASP A 82 -27.557 -12.203 -7.397 1.00 2.76 C ATOM 1326 CG ASP A 82 -27.937 -12.144 -5.921 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -27.691 -13.128 -5.195 1.00 3.77 O ATOM 1328 OD2 ASP A 82 -28.481 -11.111 -5.488 1.00 3.98 O ATOM 0 H ASP A 82 -27.205 -12.991 -9.705 1.00 1.33 H new ATOM 0 HA ASP A 82 -29.125 -13.667 -7.692 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -26.648 -12.791 -7.520 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -27.339 -11.199 -7.761 1.00 2.76 H new ATOM 1333 N GLY A 83 -29.703 -11.044 -9.577 1.00 1.09 N ATOM 1334 CA GLY A 83 -30.681 -10.013 -9.935 1.00 1.53 C ATOM 1335 C GLY A 83 -29.996 -8.664 -10.159 1.00 1.31 C ATOM 1336 O GLY A 83 -30.428 -7.882 -11.032 1.00 1.88 O ATOM 0 H GLY A 83 -28.946 -11.147 -10.253 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -31.213 -10.309 -10.839 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -31.424 -9.921 -9.143 1.00 1.53 H new ATOM 1340 N ASN A 84 -28.939 -8.390 -9.356 1.00 0.93 N ATOM 1341 CA ASN A 84 -28.181 -7.129 -9.430 1.00 0.71 C ATOM 1342 C ASN A 84 -27.677 -6.847 -10.852 1.00 0.62 C ATOM 1343 O ASN A 84 -27.071 -7.713 -11.496 1.00 0.65 O ATOM 1344 CB ASN A 84 -26.984 -7.174 -8.471 1.00 0.84 C ATOM 1345 CG ASN A 84 -27.445 -7.269 -7.016 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -28.143 -8.211 -6.640 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -27.054 -6.304 -6.195 1.00 1.32 N ATOM 0 H ASN A 84 -28.594 -9.036 -8.646 1.00 0.93 H new ATOM 0 HA ASN A 84 -28.860 -6.327 -9.143 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -26.353 -8.030 -8.712 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -26.374 -6.281 -8.604 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -27.331 -6.326 -5.214 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -26.476 -5.540 -6.545 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.926 -5.625 -11.318 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.511 -5.177 -12.645 1.00 0.55 C ATOM 1356 C GLU A 85 -26.408 -4.128 -12.501 1.00 0.47 C ATOM 1357 O GLU A 85 -26.600 -3.101 -11.840 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.715 -4.588 -13.392 1.00 0.70 C ATOM 1359 CG GLU A 85 -29.492 -5.667 -14.153 1.00 1.16 C ATOM 1360 CD GLU A 85 -30.327 -5.036 -15.258 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -31.219 -4.225 -14.948 1.00 1.39 O ATOM 1362 OE2 GLU A 85 -30.092 -5.353 -16.442 1.00 1.43 O ATOM 0 H GLU A 85 -28.424 -4.914 -10.782 1.00 0.59 H new ATOM 0 HA GLU A 85 -27.126 -6.022 -13.216 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.378 -4.095 -12.682 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.372 -3.825 -14.091 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -28.798 -6.391 -14.580 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -30.139 -6.212 -13.466 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.256 -4.392 -13.113 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.111 -3.482 -13.053 1.00 0.31 C ATOM 1371 C TYR A 86 -23.635 -3.118 -14.461 1.00 0.29 C ATOM 1372 O TYR A 86 -23.461 -3.996 -15.307 1.00 0.40 O ATOM 1373 CB TYR A 86 -22.946 -4.139 -12.295 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.270 -4.545 -10.872 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -23.318 -3.587 -9.870 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -23.539 -5.871 -10.566 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -23.630 -3.955 -8.572 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -23.848 -6.235 -9.265 1.00 0.62 C ATOM 1379 CZ TYR A 86 -23.831 -5.296 -8.267 1.00 0.63 C ATOM 1380 OH TYR A 86 -24.201 -5.643 -6.984 1.00 0.77 O ATOM 0 H TYR A 86 -25.089 -5.236 -13.661 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.430 -2.579 -12.532 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.623 -5.022 -12.846 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.104 -3.447 -12.279 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -23.112 -2.553 -10.102 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -23.508 -6.621 -11.343 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -23.717 -3.204 -7.801 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -24.102 -7.260 -9.037 1.00 0.62 H new ATOM 0 HH TYR A 86 -24.305 -6.616 -6.925 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.373 -1.828 -14.692 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.851 -1.354 -15.981 1.00 0.23 C ATOM 1392 C LEU A 87 -21.335 -1.249 -15.850 1.00 0.22 C ATOM 1393 O LEU A 87 -20.844 -0.545 -14.963 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.418 0.021 -16.373 1.00 0.26 C ATOM 1395 CG LEU A 87 -24.928 0.134 -16.176 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.451 1.376 -16.895 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.654 -1.115 -16.677 1.00 0.38 C ATOM 0 H LEU A 87 -23.514 -1.090 -14.002 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.148 -2.057 -16.759 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -22.923 0.791 -15.782 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -23.180 0.219 -17.418 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.126 0.224 -15.108 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.529 1.453 -16.752 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -24.967 2.263 -16.487 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -25.231 1.300 -17.960 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.727 -1.000 -16.521 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.454 -1.250 -17.740 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.299 -1.987 -16.128 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.602 -1.960 -16.696 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.139 -1.954 -16.643 1.00 0.19 C ATOM 1411 C PHE A 88 -18.553 -1.231 -17.852 1.00 0.20 C ATOM 1412 O PHE A 88 -18.781 -1.630 -18.996 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.620 -3.388 -16.581 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.773 -4.014 -15.211 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.865 -3.711 -14.210 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.814 -4.892 -14.951 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -17.988 -4.290 -12.959 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -19.939 -5.468 -13.698 1.00 0.25 C ATOM 1419 CZ PHE A 88 -19.028 -5.166 -12.701 1.00 0.22 C ATOM 0 H PHE A 88 -20.994 -2.550 -17.430 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.826 -1.419 -15.746 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.154 -3.994 -17.313 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.568 -3.400 -16.864 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.058 -3.020 -14.406 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.528 -5.127 -15.726 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.272 -4.058 -12.184 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.749 -6.154 -13.498 1.00 0.25 H new ATOM 0 HZ PHE A 88 -19.128 -5.613 -11.723 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.791 -0.172 -17.588 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.153 0.626 -18.639 1.00 0.26 C ATOM 1431 C GLN A 89 -15.718 0.147 -18.857 1.00 0.22 C ATOM 1432 O GLN A 89 -14.916 0.120 -17.915 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.160 2.112 -18.246 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.899 3.031 -19.451 1.00 0.52 C ATOM 1435 CD GLN A 89 -15.719 3.966 -19.176 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -15.835 4.923 -18.409 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -14.577 3.683 -19.786 1.00 1.63 N ATOM 0 H GLN A 89 -17.597 0.159 -16.643 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.711 0.504 -19.567 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.122 2.364 -17.800 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -16.400 2.289 -17.485 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -16.693 2.428 -20.336 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -17.792 3.618 -19.666 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -14.519 2.882 -20.414 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -13.756 4.266 -19.627 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.406 -0.218 -20.102 1.00 0.22 N ATOM 1447 CA ALA A 90 -14.071 -0.690 -20.479 1.00 0.24 C ATOM 1448 C ALA A 90 -13.280 0.449 -21.126 1.00 0.27 C ATOM 1449 O ALA A 90 -13.842 1.496 -21.479 1.00 0.32 O ATOM 1450 CB ALA A 90 -14.200 -1.869 -21.450 1.00 0.29 C ATOM 0 H ALA A 90 -16.070 -0.195 -20.876 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.538 -1.021 -19.588 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -13.207 -2.220 -21.730 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.748 -2.679 -20.968 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.737 -1.548 -22.343 1.00 0.29 H new ATOM 1456 N LYS A 91 -11.974 0.246 -21.282 1.00 0.35 N ATOM 1457 CA LYS A 91 -11.097 1.255 -21.886 1.00 0.44 C ATOM 1458 C LYS A 91 -11.116 1.160 -23.418 1.00 0.49 C ATOM 1459 O LYS A 91 -10.967 2.169 -24.108 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.664 1.107 -21.355 1.00 0.65 C ATOM 1461 CG LYS A 91 -9.004 -0.213 -21.783 1.00 1.26 C ATOM 1462 CD LYS A 91 -8.263 -0.879 -20.622 1.00 1.43 C ATOM 1463 CE LYS A 91 -7.540 -2.147 -21.085 1.00 1.86 C ATOM 1464 NZ LYS A 91 -7.365 -3.122 -19.973 1.00 2.29 N ATOM 0 H LYS A 91 -11.495 -0.609 -20.999 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.473 2.239 -21.606 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.061 1.942 -21.712 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -9.677 1.165 -20.267 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.765 -0.893 -22.166 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -8.306 -0.023 -22.599 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -7.542 -0.180 -20.198 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -8.970 -1.128 -19.830 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -8.105 -2.614 -21.892 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -6.564 -1.881 -21.492 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -6.530 -3.713 -20.158 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -7.234 -2.608 -19.078 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -8.209 -3.726 -19.905 1.00 2.29 H new ATOM 1478 N ASP A 92 -11.298 -0.057 -23.942 1.00 0.49 N ATOM 1479 CA ASP A 92 -11.333 -0.295 -25.396 1.00 0.66 C ATOM 1480 C ASP A 92 -12.386 -1.355 -25.742 1.00 0.59 C ATOM 1481 O ASP A 92 -12.873 -2.086 -24.871 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.941 -0.743 -25.896 1.00 0.84 C ATOM 1483 CG ASP A 92 -9.881 -0.754 -27.428 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -9.711 0.329 -28.034 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -9.982 -1.844 -28.023 1.00 2.01 O ATOM 0 H ASP A 92 -11.424 -0.899 -23.380 1.00 0.49 H new ATOM 0 HA ASP A 92 -11.603 0.637 -25.893 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -9.177 -0.071 -25.504 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.717 -1.739 -25.513 1.00 0.84 H new ATOM 1490 N ASP A 93 -12.711 -1.442 -27.029 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.687 -2.407 -27.548 1.00 0.63 C ATOM 1492 C ASP A 93 -13.166 -3.841 -27.402 1.00 0.49 C ATOM 1493 O ASP A 93 -13.922 -4.757 -27.073 1.00 0.54 O ATOM 1494 CB ASP A 93 -13.971 -2.100 -29.023 1.00 0.83 C ATOM 1495 CG ASP A 93 -15.331 -2.644 -29.441 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -16.358 -2.065 -29.029 1.00 2.21 O ATOM 1497 OD2 ASP A 93 -15.374 -3.641 -30.186 1.00 2.13 O ATOM 0 H ASP A 93 -12.305 -0.844 -27.748 1.00 0.62 H new ATOM 0 HA ASP A 93 -14.608 -2.320 -26.972 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -13.940 -1.023 -29.187 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -13.192 -2.539 -29.646 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.859 -4.024 -27.627 1.00 0.41 N ATOM 1503 CA GLU A 94 -11.210 -5.339 -27.505 1.00 0.41 C ATOM 1504 C GLU A 94 -11.390 -5.893 -26.087 1.00 0.36 C ATOM 1505 O GLU A 94 -11.738 -7.059 -25.901 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.718 -5.208 -27.827 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.477 -5.069 -29.333 1.00 1.21 C ATOM 1508 CD GLU A 94 -9.394 -6.441 -29.984 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -10.448 -6.982 -30.376 1.00 2.59 O ATOM 1510 OE2 GLU A 94 -8.280 -6.979 -30.113 1.00 2.43 O ATOM 0 H GLU A 94 -11.224 -3.272 -27.897 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.674 -6.029 -28.210 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -9.309 -4.340 -27.311 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -9.186 -6.082 -27.452 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -10.284 -4.493 -29.785 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -8.553 -4.518 -29.511 1.00 1.21 H new ATOM 1517 N GLU A 95 -11.169 -5.029 -25.096 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.318 -5.389 -23.685 1.00 0.29 C ATOM 1519 C GLU A 95 -12.772 -5.781 -23.393 1.00 0.24 C ATOM 1520 O GLU A 95 -13.033 -6.824 -22.795 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.906 -4.203 -22.806 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.577 -4.648 -21.376 1.00 0.42 C ATOM 1523 CD GLU A 95 -10.852 -3.528 -20.377 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -11.065 -2.381 -20.813 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -10.864 -3.793 -19.157 1.00 1.30 O ATOM 0 H GLU A 95 -10.882 -4.062 -25.248 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.675 -6.240 -23.462 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -10.038 -3.710 -23.243 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.712 -3.469 -22.783 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -11.172 -5.524 -21.118 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.530 -4.945 -21.316 1.00 0.42 H new ATOM 1532 N MET A 96 -13.709 -4.934 -23.839 1.00 0.24 N ATOM 1533 CA MET A 96 -15.151 -5.162 -23.653 1.00 0.22 C ATOM 1534 C MET A 96 -15.577 -6.518 -24.232 1.00 0.22 C ATOM 1535 O MET A 96 -16.295 -7.283 -23.584 1.00 0.23 O ATOM 1536 CB MET A 96 -15.943 -4.029 -24.321 1.00 0.26 C ATOM 1537 CG MET A 96 -17.442 -4.123 -24.019 1.00 0.39 C ATOM 1538 SD MET A 96 -18.406 -4.691 -25.432 1.00 0.94 S ATOM 1539 CE MET A 96 -18.042 -3.420 -26.657 1.00 0.77 C ATOM 0 H MET A 96 -13.491 -4.072 -24.339 1.00 0.24 H new ATOM 0 HA MET A 96 -15.363 -5.173 -22.584 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.563 -3.068 -23.975 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.787 -4.064 -25.399 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.597 -4.804 -23.182 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.807 -3.145 -23.706 1.00 0.39 H new ATOM 0 HE1 MET A 96 -18.930 -3.230 -27.259 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.744 -2.502 -26.151 1.00 0.77 H new ATOM 0 HE3 MET A 96 -17.231 -3.758 -27.302 1.00 0.77 H new ATOM 1549 N ASN A 97 -15.116 -6.811 -25.451 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.430 -8.076 -26.131 1.00 0.28 C ATOM 1551 C ASN A 97 -14.891 -9.271 -25.329 1.00 0.26 C ATOM 1552 O ASN A 97 -15.572 -10.285 -25.182 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.834 -8.063 -27.551 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.500 -9.115 -28.445 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -14.855 -10.065 -28.893 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -16.786 -8.949 -28.710 1.00 1.24 N ATOM 0 H ASN A 97 -14.519 -6.186 -25.993 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.513 -8.180 -26.202 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -14.962 -7.074 -27.992 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.762 -8.253 -27.499 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -17.275 -9.620 -29.303 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -17.288 -8.150 -28.322 1.00 1.24 H new ATOM 1563 N THR A 98 -13.674 -9.133 -24.793 1.00 0.25 N ATOM 1564 CA THR A 98 -13.047 -10.192 -23.988 1.00 0.27 C ATOM 1565 C THR A 98 -13.823 -10.410 -22.677 1.00 0.23 C ATOM 1566 O THR A 98 -14.059 -11.548 -22.271 1.00 0.27 O ATOM 1567 CB THR A 98 -11.578 -9.833 -23.693 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.938 -9.357 -24.874 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.819 -11.044 -23.147 1.00 0.39 C ATOM 0 H THR A 98 -13.100 -8.297 -24.901 1.00 0.25 H new ATOM 0 HA THR A 98 -13.073 -11.122 -24.556 1.00 0.27 H new ATOM 0 HB THR A 98 -11.569 -9.047 -22.938 1.00 0.31 H new ATOM 0 HG1 THR A 98 -11.091 -8.393 -24.963 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.785 -10.765 -22.947 1.00 0.39 H new ATOM 0 HG22 THR A 98 -11.289 -11.382 -22.223 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.842 -11.849 -23.881 1.00 0.39 H new ATOM 1577 N TRP A 99 -14.229 -9.309 -22.031 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.993 -9.365 -20.774 1.00 0.20 C ATOM 1579 C TRP A 99 -16.320 -10.115 -20.978 1.00 0.21 C ATOM 1580 O TRP A 99 -16.644 -11.029 -20.222 1.00 0.24 O ATOM 1581 CB TRP A 99 -15.285 -7.941 -20.258 1.00 0.21 C ATOM 1582 CG TRP A 99 -14.152 -7.310 -19.492 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.476 -6.169 -19.825 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.581 -7.767 -18.244 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.532 -5.918 -18.868 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.565 -6.865 -17.895 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.827 -8.848 -17.396 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.807 -7.014 -16.745 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -13.073 -9.001 -16.239 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -12.072 -8.093 -15.918 1.00 0.29 C ATOM 0 H TRP A 99 -14.040 -8.362 -22.360 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.392 -9.899 -20.038 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.532 -7.304 -21.107 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -16.166 -7.974 -19.617 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.658 -5.564 -20.701 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.889 -5.126 -18.883 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.600 -9.562 -17.638 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -11.029 -6.306 -16.499 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.267 -9.836 -15.582 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.495 -8.230 -15.015 1.00 0.29 H new ATOM 1601 N ILE A 100 -17.084 -9.720 -22.005 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.383 -10.344 -22.312 1.00 0.24 C ATOM 1603 C ILE A 100 -18.241 -11.852 -22.571 1.00 0.28 C ATOM 1604 O ILE A 100 -19.040 -12.645 -22.071 1.00 0.34 O ATOM 1605 CB ILE A 100 -19.028 -9.643 -23.523 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.514 -8.243 -23.132 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.197 -10.458 -24.096 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.993 -7.454 -24.348 1.00 0.29 C ATOM 0 H ILE A 100 -16.825 -8.967 -22.642 1.00 0.21 H new ATOM 0 HA ILE A 100 -19.030 -10.224 -21.443 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.264 -9.559 -24.296 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -20.326 -8.328 -22.410 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.706 -7.701 -22.641 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.625 -9.930 -24.948 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.836 -11.435 -24.418 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.960 -10.588 -23.329 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -20.330 -6.467 -24.032 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -19.173 -7.347 -25.058 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.818 -7.984 -24.823 1.00 0.29 H new ATOM 1620 N GLN A 101 -17.232 -12.243 -23.353 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.996 -13.661 -23.682 1.00 0.35 C ATOM 1622 C GLN A 101 -16.636 -14.481 -22.432 1.00 0.36 C ATOM 1623 O GLN A 101 -17.137 -15.593 -22.247 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.879 -13.776 -24.728 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.262 -13.082 -26.042 1.00 0.48 C ATOM 1626 CD GLN A 101 -17.045 -14.028 -26.951 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -18.108 -14.521 -26.582 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -16.525 -14.285 -28.144 1.00 1.76 N ATOM 0 H GLN A 101 -16.561 -11.600 -23.774 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.921 -14.068 -24.091 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -14.964 -13.332 -24.335 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.666 -14.828 -24.920 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -16.861 -12.197 -25.829 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -15.362 -12.742 -26.554 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -15.640 -13.858 -28.417 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -17.010 -14.910 -28.788 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.776 -13.926 -21.577 1.00 0.32 N ATOM 1638 CA ALA A 102 -15.348 -14.603 -20.341 1.00 0.37 C ATOM 1639 C ALA A 102 -16.492 -14.682 -19.321 1.00 0.38 C ATOM 1640 O ALA A 102 -16.590 -15.645 -18.556 1.00 0.48 O ATOM 1641 CB ALA A 102 -14.156 -13.862 -19.730 1.00 0.38 C ATOM 0 H ALA A 102 -15.358 -13.006 -21.714 1.00 0.32 H new ATOM 0 HA ALA A 102 -15.054 -15.621 -20.597 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.843 -14.367 -18.816 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.330 -13.854 -20.441 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.445 -12.837 -19.498 1.00 0.38 H new ATOM 1647 N ILE A 103 -17.348 -13.660 -19.313 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.486 -13.588 -18.392 1.00 0.38 C ATOM 1649 C ILE A 103 -19.606 -14.543 -18.832 1.00 0.47 C ATOM 1650 O ILE A 103 -20.149 -15.287 -18.016 1.00 0.55 O ATOM 1651 CB ILE A 103 -18.994 -12.137 -18.324 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -17.991 -11.250 -17.572 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.368 -12.050 -17.656 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.144 -9.772 -17.941 1.00 0.35 C ATOM 0 H ILE A 103 -17.274 -12.860 -19.942 1.00 0.33 H new ATOM 0 HA ILE A 103 -18.163 -13.899 -17.398 1.00 0.38 H new ATOM 0 HB ILE A 103 -19.093 -11.779 -19.349 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.133 -11.372 -16.498 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -16.976 -11.577 -17.799 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.693 -11.010 -17.627 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -21.087 -12.639 -18.225 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.304 -12.439 -16.640 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.415 -9.181 -17.386 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -17.976 -9.645 -19.010 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.150 -9.436 -17.690 1.00 0.35 H new ATOM 1666 N SER A 104 -19.948 -14.518 -20.122 1.00 0.53 N ATOM 1667 CA SER A 104 -21.010 -15.381 -20.665 1.00 0.66 C ATOM 1668 C SER A 104 -20.636 -16.863 -20.548 1.00 0.72 C ATOM 1669 O SER A 104 -21.493 -17.711 -20.297 1.00 0.89 O ATOM 1670 CB SER A 104 -21.286 -15.016 -22.132 1.00 0.81 C ATOM 1671 OG SER A 104 -20.076 -14.913 -22.875 1.00 1.05 O ATOM 0 H SER A 104 -19.508 -13.911 -20.813 1.00 0.53 H new ATOM 0 HA SER A 104 -21.914 -15.216 -20.079 1.00 0.66 H new ATOM 0 HB2 SER A 104 -21.929 -15.772 -22.583 1.00 0.81 H new ATOM 0 HB3 SER A 104 -21.826 -14.070 -22.178 1.00 0.81 H new ATOM 0 HG SER A 104 -19.680 -14.028 -22.734 1.00 1.05 H new ATOM 1677 N SER A 105 -19.346 -17.164 -20.719 1.00 0.80 N ATOM 1678 CA SER A 105 -18.844 -18.541 -20.628 1.00 1.13 C ATOM 1679 C SER A 105 -18.548 -18.943 -19.170 1.00 1.23 C ATOM 1680 O SER A 105 -17.825 -19.913 -18.927 1.00 1.61 O ATOM 1681 CB SER A 105 -17.581 -18.683 -21.487 1.00 1.48 C ATOM 1682 OG SER A 105 -17.802 -18.164 -22.796 1.00 1.63 O ATOM 0 H SER A 105 -18.626 -16.470 -20.922 1.00 0.80 H new ATOM 0 HA SER A 105 -19.618 -19.212 -21.000 1.00 1.13 H new ATOM 0 HB2 SER A 105 -16.753 -18.154 -21.015 1.00 1.48 H new ATOM 0 HB3 SER A 105 -17.294 -19.733 -21.550 1.00 1.48 H new ATOM 0 HG SER A 105 -17.609 -17.203 -22.804 1.00 1.63 H new ATOM 1688 N ALA A 106 -19.111 -18.203 -18.205 1.00 1.29 N ATOM 1689 CA ALA A 106 -18.913 -18.487 -16.781 1.00 1.59 C ATOM 1690 C ALA A 106 -19.963 -19.485 -16.291 1.00 2.40 C ATOM 1691 O ALA A 106 -21.132 -19.091 -16.100 1.00 3.00 O ATOM 1692 CB ALA A 106 -18.995 -17.189 -15.972 1.00 1.90 C ATOM 1693 OXT ALA A 106 -19.622 -20.674 -16.112 1.00 3.05 O ATOM 0 H ALA A 106 -19.711 -17.399 -18.389 1.00 1.29 H new ATOM 0 HA ALA A 106 -17.925 -18.926 -16.642 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -18.847 -17.409 -14.915 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -18.222 -16.500 -16.311 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -19.975 -16.733 -16.114 1.00 1.90 H new