USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=23 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= 0.646 K(o=1.6,f=-2.5!) USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0.981 USER MOD Set 2.1: A 24 HIS : no HD1:sc= 0.874 K(o=1.6,f=-5!) USER MOD Set 2.2: A 50 TYR OH : rot 30:sc= 0.768 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HE2:sc= -0.268 K(o=-0.27,f=-5.3!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.0242 USER MOD Single : A 28 CYS SG : rot -77:sc= 0.713 USER MOD Single : A 31 ASN : amide:sc=-0.00874 K(o=-0.0087,f=-0.93) USER MOD Single : A 32 ASN : amide:sc= -0.0169 X(o=-0.017,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 35 MET CE :methyl -154:sc= -0.0863 (180deg=-1.58!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0261) USER MOD Single : A 42 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.024) USER MOD Single : A 43 SER OG : rot 81:sc= 0.885 USER MOD Single : A 46 SER OG : 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=0.000942 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 9:sc= 0.433 USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -2.38 X(o=-2.4,f=-2.3) USER MOD Single : A 77 LYS NZ :NH3+ 161:sc= 1.12 (180deg=0.585) USER MOD Single : A 81 SER OG : rot -130:sc= 1.33 USER MOD Single : A 89 GLN : amide:sc= 0.819 K(o=0.82,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 149:sc= -0.37 (180deg=-1.74!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 98 THR OG1 : rot 90:sc= 1.31 USER MOD Single : A 101 GLN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 104 SER OG : rot 77:sc= 1.24 USER MOD Single : A 105 SER OG : rot 77:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -8.599 -11.004 -15.472 1.00 0.51 N ATOM 21 CA GLU A 2 -8.451 -9.988 -14.424 1.00 0.37 C ATOM 22 C GLU A 2 -7.975 -8.655 -15.020 1.00 0.34 C ATOM 23 O GLU A 2 -7.257 -8.625 -16.022 1.00 0.48 O ATOM 24 CB GLU A 2 -7.506 -10.539 -13.319 1.00 0.53 C ATOM 25 CG GLU A 2 -6.307 -9.642 -12.991 1.00 0.96 C ATOM 26 CD GLU A 2 -5.125 -9.922 -13.920 1.00 1.61 C ATOM 27 OE1 GLU A 2 -5.310 -10.617 -14.934 1.00 2.16 O ATOM 28 OE2 GLU A 2 -4.005 -9.438 -13.648 1.00 2.09 O ATOM 0 HA GLU A 2 -9.415 -9.777 -13.962 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -8.086 -10.693 -12.409 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -7.136 -11.516 -13.631 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -6.600 -8.596 -13.079 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -6.004 -9.803 -11.956 1.00 0.96 H new ATOM 35 N GLY A 3 -8.391 -7.553 -14.388 1.00 0.25 N ATOM 36 CA GLY A 3 -8.023 -6.201 -14.824 1.00 0.28 C ATOM 37 C GLY A 3 -8.947 -5.148 -14.206 1.00 0.22 C ATOM 38 O GLY A 3 -9.912 -5.477 -13.503 1.00 0.22 O ATOM 0 H GLY A 3 -8.990 -7.572 -13.563 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -6.991 -5.993 -14.541 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.074 -6.140 -15.911 1.00 0.28 H new ATOM 42 N PHE A 4 -8.650 -3.874 -14.477 1.00 0.24 N ATOM 43 CA PHE A 4 -9.450 -2.753 -13.963 1.00 0.21 C ATOM 44 C PHE A 4 -10.748 -2.613 -14.758 1.00 0.22 C ATOM 45 O PHE A 4 -10.803 -2.956 -15.939 1.00 0.27 O ATOM 46 CB PHE A 4 -8.656 -1.439 -14.043 1.00 0.23 C ATOM 47 CG PHE A 4 -7.845 -1.156 -12.798 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.483 -0.918 -11.592 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.459 -1.142 -12.859 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.737 -0.669 -10.451 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.714 -0.890 -11.719 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.365 -0.621 -10.514 1.00 0.41 C ATOM 0 H PHE A 4 -7.857 -3.590 -15.053 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.689 -2.961 -12.920 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -7.988 -1.478 -14.903 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.348 -0.614 -14.214 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.562 -0.926 -11.541 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -5.960 -1.328 -13.798 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -8.237 -0.512 -9.507 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.635 -0.902 -11.762 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.791 -0.376 -9.632 1.00 0.41 H new ATOM 62 N LEU A 5 -11.782 -2.109 -14.094 1.00 0.19 N ATOM 63 CA LEU A 5 -13.097 -1.919 -14.707 1.00 0.21 C ATOM 64 C LEU A 5 -13.851 -0.798 -13.995 1.00 0.20 C ATOM 65 O LEU A 5 -13.747 -0.636 -12.775 1.00 0.21 O ATOM 66 CB LEU A 5 -13.925 -3.218 -14.591 1.00 0.23 C ATOM 67 CG LEU A 5 -13.870 -4.075 -15.859 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.696 -5.349 -15.669 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.363 -3.293 -17.078 1.00 0.31 C ATOM 0 H LEU A 5 -11.735 -1.820 -13.117 1.00 0.19 H new ATOM 0 HA LEU A 5 -12.954 -1.660 -15.756 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.558 -3.803 -13.747 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -14.963 -2.963 -14.375 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.831 -4.351 -16.039 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.650 -5.951 -16.576 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.295 -5.922 -14.833 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.733 -5.083 -15.462 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.312 -3.928 -17.963 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.394 -2.979 -16.916 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.735 -2.415 -17.225 1.00 0.31 H new ATOM 81 N ASN A 6 -14.660 -0.061 -14.749 1.00 0.22 N ATOM 82 CA ASN A 6 -15.496 1.004 -14.179 1.00 0.23 C ATOM 83 C ASN A 6 -16.858 0.381 -13.890 1.00 0.22 C ATOM 84 O ASN A 6 -17.446 -0.224 -14.777 1.00 0.26 O ATOM 85 CB ASN A 6 -15.606 2.194 -15.155 1.00 0.28 C ATOM 86 CG ASN A 6 -15.301 3.517 -14.445 1.00 0.72 C ATOM 87 OD1 ASN A 6 -15.911 3.848 -13.428 1.00 1.49 O ATOM 88 ND2 ASN A 6 -14.354 4.273 -14.982 1.00 1.24 N ATOM 0 H ASN A 6 -14.759 -0.177 -15.758 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.061 1.403 -13.263 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -14.913 2.054 -15.984 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.609 2.228 -15.580 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -14.108 5.164 -14.552 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -13.871 3.963 -15.826 1.00 1.24 H new ATOM 95 N ARG A 7 -17.331 0.469 -12.641 1.00 0.23 N ATOM 96 CA ARG A 7 -18.607 -0.153 -12.246 1.00 0.24 C ATOM 97 C ARG A 7 -19.641 0.888 -11.811 1.00 0.25 C ATOM 98 O ARG A 7 -19.353 1.765 -10.997 1.00 0.32 O ATOM 99 CB ARG A 7 -18.366 -1.148 -11.100 1.00 0.28 C ATOM 100 CG ARG A 7 -19.539 -2.122 -10.951 1.00 0.34 C ATOM 101 CD ARG A 7 -19.216 -3.254 -9.969 1.00 0.54 C ATOM 102 NE ARG A 7 -19.647 -2.911 -8.609 1.00 0.95 N ATOM 103 CZ ARG A 7 -19.611 -3.803 -7.623 1.00 1.16 C ATOM 104 NH1 ARG A 7 -18.449 -4.202 -7.134 1.00 1.46 N ATOM 105 NH2 ARG A 7 -20.737 -4.271 -7.107 1.00 1.71 N ATOM 0 H ARG A 7 -16.854 0.962 -11.887 1.00 0.23 H new ATOM 0 HA ARG A 7 -19.004 -0.673 -13.118 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.449 -1.706 -11.287 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -18.222 -0.603 -10.167 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -20.420 -1.581 -10.605 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.787 -2.545 -11.925 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -19.710 -4.171 -10.290 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -18.144 -3.451 -9.976 1.00 0.54 H new ATOM 0 HE ARG A 7 -19.982 -1.967 -8.415 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -17.580 -3.826 -7.513 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -18.422 -4.886 -6.378 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -21.635 -3.948 -7.466 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -20.706 -4.955 -6.351 1.00 1.71 H new ATOM 119 N LYS A 8 -20.854 0.752 -12.345 1.00 0.27 N ATOM 120 CA LYS A 8 -21.980 1.631 -12.028 1.00 0.29 C ATOM 121 C LYS A 8 -23.203 0.770 -11.729 1.00 0.29 C ATOM 122 O LYS A 8 -23.504 -0.171 -12.468 1.00 0.38 O ATOM 123 CB LYS A 8 -22.260 2.563 -13.211 1.00 0.36 C ATOM 124 CG LYS A 8 -23.465 3.490 -12.971 1.00 0.37 C ATOM 125 CD LYS A 8 -24.190 3.831 -14.283 1.00 0.50 C ATOM 126 CE LYS A 8 -25.709 3.643 -14.162 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.362 4.835 -13.546 1.00 1.02 N ATOM 0 H LYS A 8 -21.086 0.021 -13.017 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.744 2.243 -11.157 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.375 3.169 -13.407 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.441 1.964 -14.104 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -24.162 3.010 -12.284 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -23.127 4.409 -12.492 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -23.973 4.862 -14.561 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -23.808 3.198 -15.084 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.134 3.464 -15.150 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.920 2.760 -13.559 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.387 4.674 -13.480 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -25.974 4.990 -12.594 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -26.181 5.673 -14.135 1.00 1.02 H new ATOM 141 N HIS A 9 -23.900 1.087 -10.643 1.00 0.43 N ATOM 142 CA HIS A 9 -25.086 0.332 -10.234 1.00 0.52 C ATOM 143 C HIS A 9 -26.346 1.001 -10.775 1.00 0.58 C ATOM 144 O HIS A 9 -26.630 2.158 -10.466 1.00 0.73 O ATOM 145 CB HIS A 9 -25.154 0.223 -8.698 1.00 0.68 C ATOM 146 CG HIS A 9 -24.051 -0.606 -8.109 1.00 0.88 C ATOM 147 ND1 HIS A 9 -24.196 -1.371 -6.982 1.00 1.21 N ATOM 148 CD2 HIS A 9 -22.762 -0.780 -8.488 1.00 1.22 C ATOM 149 CE1 HIS A 9 -23.076 -1.977 -6.679 1.00 1.69 C ATOM 150 NE2 HIS A 9 -22.170 -1.639 -7.584 1.00 1.75 N ATOM 0 H HIS A 9 -23.665 1.864 -10.026 1.00 0.43 H new ATOM 0 HA HIS A 9 -25.018 -0.674 -10.647 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -25.115 1.224 -8.268 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -26.114 -0.209 -8.414 1.00 0.68 H new ATOM 0 HD1 HIS A 9 -25.062 -1.457 -6.450 1.00 1.21 H new ATOM 0 HD2 HIS A 9 -22.283 -0.328 -9.344 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -22.918 -2.637 -5.839 1.00 1.69 H new ATOM 158 N GLU A 10 -27.089 0.262 -11.589 1.00 0.60 N ATOM 159 CA GLU A 10 -28.331 0.756 -12.191 1.00 0.73 C ATOM 160 C GLU A 10 -29.542 0.230 -11.410 1.00 0.83 C ATOM 161 O GLU A 10 -30.568 0.902 -11.317 1.00 1.00 O ATOM 162 CB GLU A 10 -28.405 0.315 -13.668 1.00 0.79 C ATOM 163 CG GLU A 10 -28.673 1.497 -14.606 1.00 1.28 C ATOM 164 CD GLU A 10 -30.137 1.912 -14.529 1.00 1.19 C ATOM 165 OE1 GLU A 10 -30.962 1.315 -15.242 1.00 1.72 O ATOM 166 OE2 GLU A 10 -30.461 2.821 -13.744 1.00 1.52 O ATOM 0 H GLU A 10 -26.853 -0.695 -11.853 1.00 0.60 H new ATOM 0 HA GLU A 10 -28.342 1.845 -12.149 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.469 -0.167 -13.950 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -29.194 -0.428 -13.786 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -28.035 2.338 -14.334 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -28.419 1.222 -15.630 1.00 1.28 H new ATOM 173 N TRP A 11 -29.420 -0.982 -10.867 1.00 0.82 N ATOM 174 CA TRP A 11 -30.509 -1.615 -10.115 1.00 0.96 C ATOM 175 C TRP A 11 -29.946 -2.759 -9.260 1.00 0.94 C ATOM 176 O TRP A 11 -29.110 -3.535 -9.734 1.00 0.84 O ATOM 177 CB TRP A 11 -31.544 -2.148 -11.119 1.00 1.08 C ATOM 178 CG TRP A 11 -32.864 -2.527 -10.506 1.00 1.26 C ATOM 179 CD1 TRP A 11 -33.854 -1.683 -10.082 1.00 1.54 C ATOM 180 CD2 TRP A 11 -33.339 -3.863 -10.266 1.00 1.26 C ATOM 181 NE1 TRP A 11 -34.895 -2.435 -9.613 1.00 1.67 N ATOM 182 CE2 TRP A 11 -34.614 -3.760 -9.705 1.00 1.51 C ATOM 183 CE3 TRP A 11 -32.803 -5.132 -10.471 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -35.355 -4.873 -9.354 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -33.540 -6.253 -10.118 1.00 1.35 C ATOM 186 CH2 TRP A 11 -34.803 -6.124 -9.564 1.00 1.53 C ATOM 0 H TRP A 11 -28.575 -1.549 -10.933 1.00 0.82 H new ATOM 0 HA TRP A 11 -30.985 -0.894 -9.450 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -31.716 -1.389 -11.883 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -31.128 -3.020 -11.624 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -33.819 -0.604 -10.113 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -35.765 -2.052 -9.244 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -31.819 -5.243 -10.902 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -36.341 -4.768 -8.926 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -33.124 -7.237 -10.277 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -35.362 -7.008 -9.294 1.00 1.53 H new ATOM 353 N SER A 22 -22.101 5.028 -8.280 1.00 1.32 N ATOM 354 CA SER A 22 -22.250 5.552 -9.638 1.00 0.74 C ATOM 355 C SER A 22 -20.875 5.757 -10.274 1.00 0.68 C ATOM 356 O SER A 22 -20.193 6.743 -9.993 1.00 1.69 O ATOM 357 CB SER A 22 -23.016 6.884 -9.607 1.00 1.62 C ATOM 358 OG SER A 22 -24.387 6.673 -9.290 1.00 1.86 O ATOM 0 HA SER A 22 -22.813 4.833 -10.233 1.00 0.74 H new ATOM 0 HB2 SER A 22 -22.566 7.550 -8.870 1.00 1.62 H new ATOM 0 HB3 SER A 22 -22.934 7.378 -10.575 1.00 1.62 H new ATOM 0 HG SER A 22 -24.855 7.534 -9.274 1.00 1.86 H new ATOM 364 N TRP A 23 -20.484 4.810 -11.131 1.00 0.69 N ATOM 365 CA TRP A 23 -19.198 4.834 -11.849 1.00 0.41 C ATOM 366 C TRP A 23 -18.011 4.947 -10.888 1.00 0.40 C ATOM 367 O TRP A 23 -17.438 6.022 -10.699 1.00 0.55 O ATOM 368 CB TRP A 23 -19.180 5.959 -12.911 1.00 0.43 C ATOM 369 CG TRP A 23 -20.021 5.614 -14.113 1.00 0.40 C ATOM 370 CD1 TRP A 23 -21.060 6.332 -14.639 1.00 0.45 C ATOM 371 CD2 TRP A 23 -19.890 4.436 -14.931 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.575 5.642 -15.704 1.00 0.42 N ATOM 373 CE2 TRP A 23 -20.887 4.486 -15.911 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.030 3.345 -14.912 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.038 3.482 -16.855 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.168 2.341 -15.847 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.165 2.403 -16.813 1.00 0.31 C ATOM 0 H TRP A 23 -21.055 3.994 -11.351 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.093 3.882 -12.369 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.546 6.884 -12.466 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -18.153 6.142 -13.227 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.415 7.285 -14.275 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.367 5.953 -16.266 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.253 3.283 -14.164 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -21.814 3.538 -17.604 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.494 1.497 -15.828 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.262 1.607 -17.536 1.00 0.31 H new ATOM 388 N HIS A 24 -17.656 3.813 -10.295 1.00 0.37 N ATOM 389 CA HIS A 24 -16.549 3.713 -9.363 1.00 0.45 C ATOM 390 C HIS A 24 -15.483 2.800 -9.973 1.00 0.36 C ATOM 391 O HIS A 24 -15.787 1.681 -10.401 1.00 0.34 O ATOM 392 CB HIS A 24 -17.057 3.133 -8.035 1.00 0.61 C ATOM 393 CG HIS A 24 -16.057 3.207 -6.927 1.00 1.18 C ATOM 394 ND1 HIS A 24 -15.628 4.379 -6.360 1.00 2.08 N ATOM 395 CD2 HIS A 24 -15.397 2.235 -6.265 1.00 1.66 C ATOM 396 CE1 HIS A 24 -14.762 4.149 -5.404 1.00 2.98 C ATOM 397 NE2 HIS A 24 -14.593 2.839 -5.315 1.00 2.74 N ATOM 0 H HIS A 24 -18.138 2.928 -10.453 1.00 0.37 H new ATOM 0 HA HIS A 24 -16.118 4.696 -9.172 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -17.958 3.668 -7.736 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -17.341 2.092 -8.188 1.00 0.61 H new ATOM 0 HD2 HIS A 24 -15.481 1.173 -6.445 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -14.273 4.896 -4.796 1.00 2.98 H new ATOM 0 HE2 HIS A 24 -13.977 2.358 -4.660 1.00 2.74 H new ATOM 405 N ASN A 25 -14.241 3.276 -10.014 1.00 0.37 N ATOM 406 CA ASN A 25 -13.129 2.496 -10.568 1.00 0.35 C ATOM 407 C ASN A 25 -12.769 1.369 -9.598 1.00 0.34 C ATOM 408 O ASN A 25 -12.440 1.621 -8.433 1.00 0.55 O ATOM 409 CB ASN A 25 -11.909 3.408 -10.817 1.00 0.44 C ATOM 410 CG ASN A 25 -11.217 3.047 -12.133 1.00 0.99 C ATOM 411 OD1 ASN A 25 -10.918 1.881 -12.394 1.00 1.71 O ATOM 412 ND2 ASN A 25 -10.952 4.050 -12.956 1.00 1.49 N ATOM 0 H ASN A 25 -13.976 4.199 -9.671 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.429 2.063 -11.522 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -12.228 4.450 -10.843 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.203 3.311 -9.992 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -10.483 3.871 -13.844 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -11.217 5.002 -12.702 1.00 1.49 H new ATOM 419 N VAL A 26 -12.862 0.130 -10.070 1.00 0.22 N ATOM 420 CA VAL A 26 -12.577 -1.044 -9.247 1.00 0.21 C ATOM 421 C VAL A 26 -11.816 -2.095 -10.061 1.00 0.18 C ATOM 422 O VAL A 26 -11.801 -2.058 -11.293 1.00 0.23 O ATOM 423 CB VAL A 26 -13.907 -1.602 -8.692 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.597 -2.535 -9.691 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.696 -2.309 -7.355 1.00 0.31 C ATOM 0 H VAL A 26 -13.135 -0.090 -11.028 1.00 0.22 H new ATOM 0 HA VAL A 26 -11.939 -0.765 -8.408 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.565 -0.748 -8.529 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.528 -2.905 -9.261 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -14.813 -1.989 -10.609 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -13.942 -3.377 -9.915 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.650 -2.690 -6.991 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.001 -3.138 -7.487 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.287 -1.604 -6.631 1.00 0.31 H new ATOM 435 N TYR A 27 -11.189 -3.031 -9.361 1.00 0.16 N ATOM 436 CA TYR A 27 -10.421 -4.110 -9.984 1.00 0.16 C ATOM 437 C TYR A 27 -11.234 -5.398 -9.896 1.00 0.19 C ATOM 438 O TYR A 27 -11.631 -5.806 -8.808 1.00 0.34 O ATOM 439 CB TYR A 27 -9.076 -4.261 -9.260 1.00 0.17 C ATOM 440 CG TYR A 27 -8.012 -4.929 -10.100 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.926 -6.313 -10.158 1.00 0.26 C ATOM 442 CD2 TYR A 27 -7.113 -4.156 -10.810 1.00 0.28 C ATOM 443 CE1 TYR A 27 -6.941 -6.914 -10.925 1.00 0.30 C ATOM 444 CE2 TYR A 27 -6.130 -4.756 -11.572 1.00 0.33 C ATOM 445 CZ TYR A 27 -6.048 -6.131 -11.629 1.00 0.29 C ATOM 446 OH TYR A 27 -5.065 -6.724 -12.386 1.00 0.37 O ATOM 0 H TYR A 27 -11.196 -3.067 -8.342 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.222 -3.885 -11.032 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.723 -3.275 -8.957 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.226 -4.840 -8.349 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -8.627 -6.921 -9.605 1.00 0.26 H new ATOM 0 HD2 TYR A 27 -7.179 -3.079 -10.769 1.00 0.28 H new ATOM 0 HE1 TYR A 27 -6.872 -7.991 -10.972 1.00 0.30 H new ATOM 0 HE2 TYR A 27 -5.426 -4.149 -12.122 1.00 0.33 H new ATOM 0 HH TYR A 27 -4.522 -6.032 -12.818 1.00 0.37 H new ATOM 456 N CYS A 28 -11.498 -6.025 -11.038 1.00 0.16 N ATOM 457 CA CYS A 28 -12.290 -7.260 -11.087 1.00 0.19 C ATOM 458 C CYS A 28 -11.424 -8.447 -11.505 1.00 0.19 C ATOM 459 O CYS A 28 -10.627 -8.346 -12.441 1.00 0.23 O ATOM 460 CB CYS A 28 -13.452 -7.093 -12.072 1.00 0.23 C ATOM 461 SG CYS A 28 -14.423 -5.612 -11.747 1.00 0.34 S ATOM 0 H CYS A 28 -11.175 -5.700 -11.949 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.683 -7.456 -10.089 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -13.060 -7.051 -13.088 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.100 -7.968 -12.017 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.196 -5.816 -10.722 1.00 0.34 H new ATOM 467 N VAL A 29 -11.600 -9.575 -10.813 1.00 0.21 N ATOM 468 CA VAL A 29 -10.864 -10.812 -11.097 1.00 0.24 C ATOM 469 C VAL A 29 -11.852 -11.978 -11.154 1.00 0.26 C ATOM 470 O VAL A 29 -12.523 -12.285 -10.164 1.00 0.38 O ATOM 471 CB VAL A 29 -9.796 -11.066 -10.022 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.051 -12.378 -10.296 1.00 0.37 C ATOM 473 CG2 VAL A 29 -8.808 -9.897 -9.943 1.00 0.33 C ATOM 0 H VAL A 29 -12.258 -9.658 -10.038 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.356 -10.717 -12.057 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.302 -11.150 -9.060 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.300 -12.538 -9.523 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -9.759 -13.207 -10.291 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.564 -12.323 -11.270 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.063 -10.102 -9.175 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.312 -9.774 -10.906 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.346 -8.983 -9.692 1.00 0.33 H new ATOM 483 N ILE A 30 -11.943 -12.614 -12.320 1.00 0.28 N ATOM 484 CA ILE A 30 -12.852 -13.742 -12.544 1.00 0.32 C ATOM 485 C ILE A 30 -12.152 -15.070 -12.240 1.00 0.35 C ATOM 486 O ILE A 30 -11.002 -15.288 -12.627 1.00 0.44 O ATOM 487 CB ILE A 30 -13.355 -13.722 -13.999 1.00 0.40 C ATOM 488 CG1 ILE A 30 -14.181 -12.454 -14.267 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.193 -14.967 -14.311 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.382 -12.221 -15.762 1.00 0.57 C ATOM 0 H ILE A 30 -11.389 -12.363 -13.139 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.703 -13.646 -11.870 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.482 -13.722 -14.652 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -15.151 -12.541 -13.778 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -13.679 -11.592 -13.828 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.535 -14.926 -15.345 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -13.586 -15.860 -14.165 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.055 -15.001 -13.645 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.970 -11.316 -15.913 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -13.412 -12.109 -16.246 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -14.907 -13.072 -16.195 1.00 0.57 H new ATOM 502 N ASN A 31 -12.874 -15.954 -11.561 1.00 0.46 N ATOM 503 CA ASN A 31 -12.383 -17.283 -11.197 1.00 0.58 C ATOM 504 C ASN A 31 -13.490 -18.295 -11.507 1.00 0.71 C ATOM 505 O ASN A 31 -14.196 -18.762 -10.613 1.00 1.20 O ATOM 506 CB ASN A 31 -11.994 -17.316 -9.707 1.00 0.73 C ATOM 507 CG ASN A 31 -11.317 -18.639 -9.334 1.00 0.93 C ATOM 508 OD1 ASN A 31 -10.631 -19.255 -10.151 1.00 1.27 O ATOM 509 ND2 ASN A 31 -11.504 -19.067 -8.097 1.00 1.47 N ATOM 0 H ASN A 31 -13.826 -15.769 -11.244 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.490 -17.534 -11.769 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -11.322 -16.487 -9.487 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -12.884 -17.176 -9.094 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -11.072 -19.938 -7.788 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -12.080 -18.526 -7.452 1.00 1.47 H new ATOM 516 N ASN A 32 -13.640 -18.600 -12.796 1.00 0.85 N ATOM 517 CA ASN A 32 -14.657 -19.538 -13.301 1.00 1.00 C ATOM 518 C ASN A 32 -16.082 -19.023 -13.051 1.00 1.00 C ATOM 519 O ASN A 32 -16.556 -18.130 -13.752 1.00 1.97 O ATOM 520 CB ASN A 32 -14.472 -20.957 -12.707 1.00 1.24 C ATOM 521 CG ASN A 32 -13.327 -21.693 -13.406 1.00 1.73 C ATOM 522 OD1 ASN A 32 -12.287 -21.957 -12.803 1.00 2.06 O ATOM 523 ND2 ASN A 32 -13.517 -22.029 -14.674 1.00 2.52 N ATOM 0 H ASN A 32 -13.056 -18.202 -13.531 1.00 0.85 H new ATOM 0 HA ASN A 32 -14.514 -19.606 -14.379 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -14.266 -20.885 -11.639 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -15.396 -21.525 -12.816 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -12.787 -22.525 -15.185 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -14.394 -21.792 -15.139 1.00 2.52 H new ATOM 530 N GLN A 33 -16.765 -19.616 -12.067 1.00 0.75 N ATOM 531 CA GLN A 33 -18.159 -19.272 -11.734 1.00 0.67 C ATOM 532 C GLN A 33 -18.280 -18.141 -10.702 1.00 0.56 C ATOM 533 O GLN A 33 -19.416 -17.724 -10.382 1.00 0.71 O ATOM 534 CB GLN A 33 -18.858 -20.525 -11.188 1.00 0.83 C ATOM 535 CG GLN A 33 -18.033 -21.194 -10.074 1.00 1.46 C ATOM 536 CD GLN A 33 -18.892 -22.163 -9.265 1.00 1.85 C ATOM 537 OE1 GLN A 33 -19.771 -22.834 -9.808 1.00 2.11 O ATOM 538 NE2 GLN A 33 -18.643 -22.241 -7.967 1.00 2.67 N ATOM 0 H GLN A 33 -16.371 -20.348 -11.476 1.00 0.75 H new ATOM 0 HA GLN A 33 -18.629 -18.914 -12.650 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -19.841 -20.255 -10.801 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -19.019 -21.235 -11.999 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -17.190 -21.728 -10.512 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -17.619 -20.431 -9.414 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -17.906 -21.669 -7.554 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -19.188 -22.873 -7.380 1.00 2.67 H new ATOM 547 N GLU A 34 -17.140 -17.656 -10.166 1.00 0.53 N ATOM 548 CA GLU A 34 -17.162 -16.600 -9.152 1.00 0.49 C ATOM 549 C GLU A 34 -16.112 -15.531 -9.447 1.00 0.45 C ATOM 550 O GLU A 34 -15.002 -15.842 -9.881 1.00 0.64 O ATOM 551 CB GLU A 34 -16.912 -17.220 -7.765 1.00 0.61 C ATOM 552 CG GLU A 34 -17.963 -16.769 -6.744 1.00 1.25 C ATOM 553 CD GLU A 34 -17.595 -17.260 -5.350 1.00 1.42 C ATOM 554 OE1 GLU A 34 -17.230 -18.443 -5.207 1.00 1.89 O ATOM 555 OE2 GLU A 34 -17.676 -16.466 -4.389 1.00 1.79 O ATOM 0 H GLU A 34 -16.207 -17.979 -10.420 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.141 -16.120 -9.169 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -16.925 -18.307 -7.845 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -15.919 -16.938 -7.414 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -18.037 -15.682 -6.745 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -18.942 -17.156 -7.026 1.00 1.25 H new ATOM 562 N MET A 35 -16.459 -14.276 -9.172 1.00 0.36 N ATOM 563 CA MET A 35 -15.546 -13.147 -9.366 1.00 0.35 C ATOM 564 C MET A 35 -15.353 -12.416 -8.039 1.00 0.32 C ATOM 565 O MET A 35 -16.154 -12.573 -7.111 1.00 0.42 O ATOM 566 CB MET A 35 -16.070 -12.190 -10.450 1.00 0.41 C ATOM 567 CG MET A 35 -17.360 -11.466 -10.042 1.00 0.43 C ATOM 568 SD MET A 35 -17.585 -9.928 -10.956 1.00 0.60 S ATOM 569 CE MET A 35 -19.375 -9.880 -11.139 1.00 1.25 C ATOM 0 H MET A 35 -17.375 -14.011 -8.810 1.00 0.36 H new ATOM 0 HA MET A 35 -14.583 -13.527 -9.707 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.301 -11.451 -10.676 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.250 -12.752 -11.366 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.214 -12.120 -10.216 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.334 -11.253 -8.973 1.00 0.43 H new ATOM 0 HE1 MET A 35 -19.635 -9.298 -12.023 1.00 1.25 H new ATOM 0 HE2 MET A 35 -19.757 -10.895 -11.248 1.00 1.25 H new ATOM 0 HE3 MET A 35 -19.819 -9.418 -10.257 1.00 1.25 H new ATOM 579 N GLY A 36 -14.295 -11.626 -7.952 1.00 0.27 N ATOM 580 CA GLY A 36 -13.991 -10.872 -6.740 1.00 0.29 C ATOM 581 C GLY A 36 -13.639 -9.429 -7.082 1.00 0.25 C ATOM 582 O GLY A 36 -12.860 -9.174 -8.009 1.00 0.28 O ATOM 0 H GLY A 36 -13.627 -11.488 -8.710 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.848 -10.894 -6.067 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.160 -11.340 -6.213 1.00 0.29 H new ATOM 586 N PHE A 37 -14.213 -8.492 -6.328 1.00 0.24 N ATOM 587 CA PHE A 37 -13.969 -7.060 -6.526 1.00 0.25 C ATOM 588 C PHE A 37 -12.858 -6.595 -5.584 1.00 0.25 C ATOM 589 O PHE A 37 -12.996 -6.689 -4.366 1.00 0.40 O ATOM 590 CB PHE A 37 -15.255 -6.265 -6.267 1.00 0.30 C ATOM 591 CG PHE A 37 -16.318 -6.515 -7.312 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.200 -5.954 -8.572 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.415 -7.309 -7.009 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.174 -6.183 -9.527 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.390 -7.536 -7.966 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.264 -6.974 -9.231 1.00 0.33 C ATOM 0 H PHE A 37 -14.858 -8.701 -5.566 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.657 -6.887 -7.556 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.648 -6.528 -5.285 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.020 -5.201 -6.241 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.346 -5.337 -8.810 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.508 -7.750 -6.027 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.080 -5.741 -10.508 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.247 -8.149 -7.730 1.00 0.45 H new ATOM 0 HZ PHE A 37 -19.019 -7.157 -9.981 1.00 0.33 H new ATOM 606 N TYR A 38 -11.757 -6.115 -6.161 1.00 0.20 N ATOM 607 CA TYR A 38 -10.594 -5.644 -5.397 1.00 0.21 C ATOM 608 C TYR A 38 -10.329 -4.158 -5.652 1.00 0.21 C ATOM 609 O TYR A 38 -10.947 -3.540 -6.523 1.00 0.23 O ATOM 610 CB TYR A 38 -9.358 -6.463 -5.794 1.00 0.23 C ATOM 611 CG TYR A 38 -9.503 -7.931 -5.489 1.00 0.27 C ATOM 612 CD1 TYR A 38 -10.038 -8.783 -6.437 1.00 0.27 C ATOM 613 CD2 TYR A 38 -9.098 -8.432 -4.264 1.00 0.42 C ATOM 614 CE1 TYR A 38 -10.165 -10.134 -6.165 1.00 0.35 C ATOM 615 CE2 TYR A 38 -9.223 -9.781 -3.993 1.00 0.50 C ATOM 616 CZ TYR A 38 -9.777 -10.619 -4.919 1.00 0.44 C ATOM 617 OH TYR A 38 -9.880 -11.967 -4.667 1.00 0.55 O ATOM 0 H TYR A 38 -11.643 -6.040 -7.172 1.00 0.20 H new ATOM 0 HA TYR A 38 -10.804 -5.775 -4.335 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.172 -6.336 -6.860 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.486 -6.073 -5.269 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -10.358 -8.393 -7.392 1.00 0.27 H new ATOM 0 HD2 TYR A 38 -8.684 -7.768 -3.520 1.00 0.42 H new ATOM 0 HE1 TYR A 38 -10.561 -10.806 -6.912 1.00 0.35 H new ATOM 0 HE2 TYR A 38 -8.882 -10.174 -3.047 1.00 0.50 H new ATOM 0 HH TYR A 38 -9.571 -12.154 -3.756 1.00 0.55 H new ATOM 627 N LYS A 39 -9.391 -3.590 -4.893 1.00 0.25 N ATOM 628 CA LYS A 39 -9.023 -2.176 -5.028 1.00 0.29 C ATOM 629 C LYS A 39 -8.101 -1.975 -6.240 1.00 0.28 C ATOM 630 O LYS A 39 -8.265 -1.021 -7.002 1.00 0.33 O ATOM 631 CB LYS A 39 -8.325 -1.706 -3.745 1.00 0.36 C ATOM 632 CG LYS A 39 -8.333 -0.179 -3.606 1.00 0.70 C ATOM 633 CD LYS A 39 -8.041 0.240 -2.162 1.00 1.15 C ATOM 634 CE LYS A 39 -7.963 1.758 -2.018 1.00 1.82 C ATOM 635 NZ LYS A 39 -6.730 2.313 -2.647 1.00 2.51 N ATOM 0 H LYS A 39 -8.868 -4.089 -4.174 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.926 -1.585 -5.184 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.819 -2.150 -2.881 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.295 -2.064 -3.742 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -7.588 0.255 -4.273 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -9.302 0.213 -3.914 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -8.820 -0.148 -1.506 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -7.100 -0.205 -1.837 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -8.841 2.212 -2.478 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -7.983 2.024 -0.961 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -6.663 3.330 -2.441 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -5.895 1.826 -2.263 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -6.771 2.171 -3.676 1.00 2.51 H new ATOM 649 N ASP A 40 -7.137 -2.881 -6.402 1.00 0.28 N ATOM 650 CA ASP A 40 -6.172 -2.826 -7.508 1.00 0.32 C ATOM 651 C ASP A 40 -5.525 -4.202 -7.726 1.00 0.33 C ATOM 652 O ASP A 40 -5.970 -5.207 -7.158 1.00 0.32 O ATOM 653 CB ASP A 40 -5.099 -1.749 -7.232 1.00 0.38 C ATOM 654 CG ASP A 40 -4.145 -2.146 -6.098 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.541 -2.968 -5.250 1.00 0.84 O ATOM 656 OD2 ASP A 40 -3.000 -1.641 -6.055 1.00 0.94 O ATOM 0 H ASP A 40 -7.000 -3.673 -5.774 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.702 -2.553 -8.421 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.524 -1.573 -8.141 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.589 -0.809 -6.978 1.00 0.38 H new ATOM 661 N ALA A 41 -4.472 -4.236 -8.550 1.00 0.40 N ATOM 662 CA ALA A 41 -3.742 -5.476 -8.858 1.00 0.45 C ATOM 663 C ALA A 41 -3.064 -6.050 -7.608 1.00 0.45 C ATOM 664 O ALA A 41 -3.051 -7.265 -7.404 1.00 0.47 O ATOM 665 CB ALA A 41 -2.696 -5.213 -9.945 1.00 0.55 C ATOM 0 H ALA A 41 -4.101 -3.411 -9.021 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.463 -6.210 -9.219 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.161 -6.137 -10.166 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.191 -4.856 -10.848 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -1.990 -4.459 -9.596 1.00 0.55 H new ATOM 671 N LYS A 42 -2.517 -5.165 -6.765 1.00 0.46 N ATOM 672 CA LYS A 42 -1.851 -5.574 -5.519 1.00 0.48 C ATOM 673 C LYS A 42 -2.862 -6.243 -4.580 1.00 0.43 C ATOM 674 O LYS A 42 -2.584 -7.295 -3.992 1.00 0.47 O ATOM 675 CB LYS A 42 -1.221 -4.356 -4.830 1.00 0.54 C ATOM 676 CG LYS A 42 -0.176 -3.673 -5.722 1.00 0.77 C ATOM 677 CD LYS A 42 0.266 -2.335 -5.126 1.00 1.12 C ATOM 678 CE LYS A 42 1.589 -1.854 -5.724 1.00 1.96 C ATOM 679 NZ LYS A 42 1.489 -1.650 -7.196 1.00 2.76 N ATOM 0 H LYS A 42 -2.522 -4.157 -6.923 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.063 -6.288 -5.760 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -2.002 -3.640 -4.572 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.753 -4.668 -3.896 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.689 -4.326 -5.840 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.592 -3.512 -6.717 1.00 0.77 H new ATOM 0 HD2 LYS A 42 -0.506 -1.586 -5.303 1.00 1.12 H new ATOM 0 HD3 LYS A 42 0.371 -2.436 -4.046 1.00 1.12 H new ATOM 0 HE2 LYS A 42 1.885 -0.920 -5.247 1.00 1.96 H new ATOM 0 HE3 LYS A 42 2.371 -2.583 -5.510 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 2.378 -1.244 -7.551 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 1.315 -2.563 -7.662 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 0.704 -1.000 -7.404 1.00 2.76 H new ATOM 693 N SER A 43 -4.050 -5.639 -4.471 1.00 0.38 N ATOM 694 CA SER A 43 -5.135 -6.169 -3.633 1.00 0.38 C ATOM 695 C SER A 43 -5.604 -7.535 -4.154 1.00 0.39 C ATOM 696 O SER A 43 -5.930 -8.426 -3.368 1.00 0.45 O ATOM 697 CB SER A 43 -6.309 -5.187 -3.625 1.00 0.37 C ATOM 698 OG SER A 43 -5.879 -3.895 -3.218 1.00 1.04 O ATOM 0 H SER A 43 -4.287 -4.774 -4.957 1.00 0.38 H new ATOM 0 HA SER A 43 -4.760 -6.295 -2.618 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.751 -5.132 -4.620 1.00 0.37 H new ATOM 0 HB3 SER A 43 -7.086 -5.547 -2.950 1.00 0.37 H new ATOM 0 HG SER A 43 -5.473 -3.430 -3.979 1.00 1.04 H new ATOM 704 N ALA A 44 -5.620 -7.690 -5.482 1.00 0.37 N ATOM 705 CA ALA A 44 -6.032 -8.944 -6.128 1.00 0.43 C ATOM 706 C ALA A 44 -4.976 -10.042 -5.918 1.00 0.51 C ATOM 707 O ALA A 44 -5.314 -11.184 -5.600 1.00 0.59 O ATOM 708 CB ALA A 44 -6.251 -8.712 -7.626 1.00 0.43 C ATOM 0 H ALA A 44 -5.350 -6.956 -6.137 1.00 0.37 H new ATOM 0 HA ALA A 44 -6.966 -9.274 -5.673 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -6.556 -9.646 -8.098 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.029 -7.962 -7.768 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.323 -8.362 -8.079 1.00 0.43 H new ATOM 714 N ALA A 45 -3.699 -9.679 -6.090 1.00 0.54 N ATOM 715 CA ALA A 45 -2.575 -10.616 -5.923 1.00 0.64 C ATOM 716 C ALA A 45 -2.457 -11.074 -4.464 1.00 0.68 C ATOM 717 O ALA A 45 -2.310 -12.267 -4.189 1.00 0.76 O ATOM 718 CB ALA A 45 -1.269 -9.950 -6.369 1.00 0.69 C ATOM 0 H ALA A 45 -3.414 -8.734 -6.347 1.00 0.54 H new ATOM 0 HA ALA A 45 -2.763 -11.492 -6.543 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -0.442 -10.649 -6.242 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -1.346 -9.665 -7.418 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.089 -9.062 -5.764 1.00 0.69 H new ATOM 724 N SER A 46 -2.532 -10.119 -3.538 1.00 0.65 N ATOM 725 CA SER A 46 -2.445 -10.406 -2.101 1.00 0.73 C ATOM 726 C SER A 46 -3.715 -11.128 -1.616 1.00 0.74 C ATOM 727 O SER A 46 -3.648 -12.010 -0.764 1.00 0.84 O ATOM 728 CB SER A 46 -2.240 -9.098 -1.323 1.00 0.75 C ATOM 729 OG SER A 46 -1.560 -9.330 -0.097 1.00 1.21 O ATOM 0 H SER A 46 -2.654 -9.130 -3.757 1.00 0.65 H new ATOM 0 HA SER A 46 -1.593 -11.062 -1.923 1.00 0.73 H new ATOM 0 HB2 SER A 46 -1.670 -8.396 -1.931 1.00 0.75 H new ATOM 0 HB3 SER A 46 -3.206 -8.635 -1.124 1.00 0.75 H new ATOM 0 HG SER A 46 -1.441 -8.481 0.377 1.00 1.21 H new ATOM 735 N GLY A 47 -4.864 -10.743 -2.174 1.00 0.70 N ATOM 736 CA GLY A 47 -6.149 -11.344 -1.812 1.00 0.74 C ATOM 737 C GLY A 47 -6.789 -10.601 -0.641 1.00 0.75 C ATOM 738 O GLY A 47 -7.175 -11.212 0.357 1.00 0.88 O ATOM 0 H GLY A 47 -4.931 -10.013 -2.883 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -6.820 -11.323 -2.671 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -6.003 -12.391 -1.547 1.00 0.74 H new ATOM 742 N ILE A 48 -6.900 -9.278 -0.774 1.00 0.67 N ATOM 743 CA ILE A 48 -7.494 -8.426 0.264 1.00 0.72 C ATOM 744 C ILE A 48 -8.935 -8.083 -0.125 1.00 0.75 C ATOM 745 O ILE A 48 -9.181 -7.601 -1.231 1.00 0.75 O ATOM 746 CB ILE A 48 -6.668 -7.136 0.447 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.174 -7.381 0.158 1.00 0.78 C ATOM 748 CG2 ILE A 48 -6.848 -6.582 1.864 1.00 0.82 C ATOM 749 CD1 ILE A 48 -4.327 -6.143 0.451 1.00 0.97 C ATOM 0 H ILE A 48 -6.583 -8.767 -1.598 1.00 0.67 H new ATOM 0 HA ILE A 48 -7.493 -8.966 1.211 1.00 0.72 H new ATOM 0 HB ILE A 48 -7.035 -6.402 -0.270 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -4.819 -8.215 0.763 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -5.048 -7.668 -0.886 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -6.259 -5.672 1.976 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -7.900 -6.356 2.035 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -6.513 -7.323 2.590 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -3.281 -6.358 0.234 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -4.664 -5.315 -0.173 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -4.431 -5.871 1.501 1.00 0.97 H new ATOM 761 N PRO A 49 -9.913 -8.320 0.774 1.00 0.84 N ATOM 762 CA PRO A 49 -11.335 -8.025 0.494 1.00 0.93 C ATOM 763 C PRO A 49 -11.616 -6.515 0.427 1.00 0.93 C ATOM 764 O PRO A 49 -11.180 -5.754 1.294 1.00 1.08 O ATOM 765 CB PRO A 49 -12.080 -8.685 1.655 1.00 1.07 C ATOM 766 CG PRO A 49 -11.088 -8.764 2.770 1.00 1.06 C ATOM 767 CD PRO A 49 -9.727 -8.888 2.128 1.00 0.92 C ATOM 0 HA PRO A 49 -11.648 -8.403 -0.479 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -12.952 -8.099 1.946 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -12.440 -9.676 1.378 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -11.140 -7.875 3.399 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -11.293 -9.621 3.411 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -8.970 -8.340 2.689 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -9.401 -9.927 2.083 1.00 0.92 H new ATOM 775 N TYR A 50 -12.344 -6.085 -0.611 1.00 0.87 N ATOM 776 CA TYR A 50 -12.676 -4.660 -0.804 1.00 0.91 C ATOM 777 C TYR A 50 -13.857 -4.216 0.072 1.00 1.12 C ATOM 778 O TYR A 50 -14.418 -3.139 -0.136 1.00 1.91 O ATOM 779 CB TYR A 50 -12.978 -4.394 -2.284 1.00 0.92 C ATOM 780 CG TYR A 50 -12.980 -2.920 -2.654 1.00 0.94 C ATOM 781 CD1 TYR A 50 -11.897 -2.115 -2.327 1.00 1.02 C ATOM 782 CD2 TYR A 50 -14.065 -2.368 -3.321 1.00 1.13 C ATOM 783 CE1 TYR A 50 -11.903 -0.773 -2.668 1.00 1.13 C ATOM 784 CE2 TYR A 50 -14.066 -1.024 -3.660 1.00 1.24 C ATOM 785 CZ TYR A 50 -12.985 -0.233 -3.332 1.00 1.17 C ATOM 786 OH TYR A 50 -12.982 1.105 -3.667 1.00 1.34 O ATOM 0 H TYR A 50 -12.717 -6.701 -1.333 1.00 0.87 H new ATOM 0 HA TYR A 50 -11.811 -4.073 -0.496 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -12.238 -4.911 -2.895 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -13.950 -4.822 -2.530 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -11.049 -2.536 -1.806 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -14.912 -2.988 -3.577 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -11.060 -0.148 -2.414 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -14.911 -0.597 -4.180 1.00 1.24 H new ATOM 0 HH TYR A 50 -12.060 1.402 -3.818 1.00 1.34 H new ATOM 796 N HIS A 51 -14.193 -5.038 1.071 1.00 1.28 N ATOM 797 CA HIS A 51 -15.267 -4.753 2.039 1.00 1.53 C ATOM 798 C HIS A 51 -16.672 -4.723 1.419 1.00 1.61 C ATOM 799 O HIS A 51 -16.847 -4.616 0.200 1.00 2.07 O ATOM 800 CB HIS A 51 -14.987 -3.427 2.766 1.00 2.01 C ATOM 801 CG HIS A 51 -13.746 -3.477 3.605 1.00 2.54 C ATOM 802 ND1 HIS A 51 -13.726 -3.938 4.893 1.00 3.19 N ATOM 803 CD2 HIS A 51 -12.461 -3.133 3.337 1.00 2.89 C ATOM 804 CE1 HIS A 51 -12.516 -3.882 5.397 1.00 3.87 C ATOM 805 NE2 HIS A 51 -11.709 -3.391 4.469 1.00 3.74 N ATOM 0 H HIS A 51 -13.725 -5.929 1.236 1.00 1.28 H new ATOM 0 HA HIS A 51 -15.262 -5.582 2.747 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -14.892 -2.628 2.031 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -15.839 -3.178 3.399 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -12.091 -2.730 2.406 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -12.229 -4.183 6.394 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -10.707 -3.231 4.571 1.00 3.74 H new ATOM 813 N SER A 52 -17.670 -4.790 2.310 1.00 1.60 N ATOM 814 CA SER A 52 -19.106 -4.752 1.963 1.00 1.96 C ATOM 815 C SER A 52 -19.568 -5.992 1.176 1.00 1.85 C ATOM 816 O SER A 52 -20.401 -6.760 1.662 1.00 2.45 O ATOM 817 CB SER A 52 -19.442 -3.453 1.206 1.00 2.44 C ATOM 818 OG SER A 52 -18.876 -2.328 1.872 1.00 2.65 O ATOM 0 H SER A 52 -17.504 -4.874 3.313 1.00 1.60 H new ATOM 0 HA SER A 52 -19.660 -4.767 2.901 1.00 1.96 H new ATOM 0 HB2 SER A 52 -19.060 -3.510 0.187 1.00 2.44 H new ATOM 0 HB3 SER A 52 -20.523 -3.335 1.135 1.00 2.44 H new ATOM 0 HG SER A 52 -19.097 -1.511 1.378 1.00 2.65 H new ATOM 824 N GLU A 53 -19.035 -6.177 -0.028 1.00 1.45 N ATOM 825 CA GLU A 53 -19.388 -7.313 -0.880 1.00 1.37 C ATOM 826 C GLU A 53 -18.277 -7.526 -1.904 1.00 1.08 C ATOM 827 O GLU A 53 -18.195 -6.810 -2.906 1.00 1.24 O ATOM 828 CB GLU A 53 -20.739 -7.074 -1.585 1.00 1.73 C ATOM 829 CG GLU A 53 -20.950 -5.602 -1.970 1.00 2.39 C ATOM 830 CD GLU A 53 -22.240 -5.441 -2.764 1.00 2.88 C ATOM 831 OE1 GLU A 53 -23.309 -5.825 -2.251 1.00 3.23 O ATOM 832 OE2 GLU A 53 -22.187 -4.932 -3.901 1.00 3.46 O ATOM 0 H GLU A 53 -18.348 -5.547 -0.442 1.00 1.45 H new ATOM 0 HA GLU A 53 -19.493 -8.206 -0.264 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -20.791 -7.692 -2.482 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -21.549 -7.394 -0.929 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -20.989 -4.986 -1.071 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -20.105 -5.249 -2.561 1.00 2.39 H new ATOM 839 N VAL A 54 -17.402 -8.488 -1.627 1.00 0.84 N ATOM 840 CA VAL A 54 -16.264 -8.786 -2.498 1.00 0.66 C ATOM 841 C VAL A 54 -16.550 -9.978 -3.426 1.00 0.55 C ATOM 842 O VAL A 54 -16.282 -9.887 -4.620 1.00 0.49 O ATOM 843 CB VAL A 54 -15.003 -9.047 -1.649 1.00 0.81 C ATOM 844 CG1 VAL A 54 -13.733 -8.966 -2.508 1.00 0.77 C ATOM 845 CG2 VAL A 54 -14.926 -8.054 -0.483 1.00 1.34 C ATOM 0 H VAL A 54 -17.459 -9.081 -0.799 1.00 0.84 H new ATOM 0 HA VAL A 54 -16.093 -7.917 -3.133 1.00 0.66 H new ATOM 0 HB VAL A 54 -15.072 -10.056 -1.243 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -12.859 -9.154 -1.884 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -13.781 -9.713 -3.300 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -13.656 -7.973 -2.951 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -14.030 -8.253 0.106 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -14.886 -7.037 -0.873 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -15.807 -8.166 0.149 1.00 1.34 H new ATOM 855 N PRO A 55 -17.089 -11.112 -2.912 1.00 0.62 N ATOM 856 CA PRO A 55 -17.368 -12.297 -3.740 1.00 0.59 C ATOM 857 C PRO A 55 -18.765 -12.264 -4.382 1.00 0.58 C ATOM 858 O PRO A 55 -19.777 -12.146 -3.682 1.00 0.83 O ATOM 859 CB PRO A 55 -17.252 -13.454 -2.749 1.00 0.76 C ATOM 860 CG PRO A 55 -17.540 -12.874 -1.395 1.00 0.87 C ATOM 861 CD PRO A 55 -17.456 -11.364 -1.503 1.00 0.83 C ATOM 0 HA PRO A 55 -16.683 -12.371 -4.585 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -17.959 -14.247 -2.992 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -16.256 -13.895 -2.780 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -18.530 -13.177 -1.054 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -16.823 -13.244 -0.662 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -18.407 -10.895 -1.251 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -16.710 -10.958 -0.820 1.00 0.83 H new ATOM 869 N VAL A 56 -18.805 -12.386 -5.708 1.00 0.41 N ATOM 870 CA VAL A 56 -20.063 -12.390 -6.469 1.00 0.43 C ATOM 871 C VAL A 56 -20.002 -13.477 -7.552 1.00 0.42 C ATOM 872 O VAL A 56 -18.989 -13.621 -8.240 1.00 0.43 O ATOM 873 CB VAL A 56 -20.304 -11.008 -7.096 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.588 -10.997 -7.927 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.376 -9.925 -6.015 1.00 0.63 C ATOM 0 H VAL A 56 -17.972 -12.485 -6.288 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.894 -12.609 -5.799 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.462 -10.794 -7.754 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.734 -10.007 -8.359 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.510 -11.734 -8.727 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.437 -11.243 -7.289 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.547 -8.955 -6.482 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -21.195 -10.148 -5.331 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.437 -9.900 -5.462 1.00 0.63 H new ATOM 885 N SER A 57 -21.082 -14.249 -7.683 1.00 0.47 N ATOM 886 CA SER A 57 -21.172 -15.341 -8.651 1.00 0.48 C ATOM 887 C SER A 57 -21.488 -14.831 -10.066 1.00 0.46 C ATOM 888 O SER A 57 -22.305 -13.924 -10.245 1.00 0.59 O ATOM 889 CB SER A 57 -22.260 -16.307 -8.192 1.00 0.61 C ATOM 890 OG SER A 57 -22.242 -16.460 -6.775 1.00 0.91 O ATOM 0 H SER A 57 -21.923 -14.133 -7.117 1.00 0.47 H new ATOM 0 HA SER A 57 -20.206 -15.843 -8.699 1.00 0.48 H new ATOM 0 HB2 SER A 57 -23.236 -15.939 -8.509 1.00 0.61 H new ATOM 0 HB3 SER A 57 -22.115 -17.277 -8.668 1.00 0.61 H new ATOM 0 HG SER A 57 -22.949 -17.082 -6.504 1.00 0.91 H new ATOM 896 N LEU A 58 -20.843 -15.443 -11.066 1.00 0.44 N ATOM 897 CA LEU A 58 -21.039 -15.088 -12.484 1.00 0.49 C ATOM 898 C LEU A 58 -21.698 -16.234 -13.258 1.00 0.60 C ATOM 899 O LEU A 58 -21.918 -16.126 -14.465 1.00 0.89 O ATOM 900 CB LEU A 58 -19.687 -14.752 -13.131 1.00 0.67 C ATOM 901 CG LEU A 58 -19.343 -13.274 -12.972 1.00 0.70 C ATOM 902 CD1 LEU A 58 -17.977 -12.979 -13.588 1.00 0.86 C ATOM 903 CD2 LEU A 58 -20.419 -12.386 -13.605 1.00 0.60 C ATOM 0 H LEU A 58 -20.171 -16.197 -10.920 1.00 0.44 H new ATOM 0 HA LEU A 58 -21.696 -14.219 -12.523 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -18.904 -15.360 -12.677 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -19.716 -15.008 -14.190 1.00 0.67 H new ATOM 0 HG LEU A 58 -19.304 -13.047 -11.907 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -17.744 -11.921 -13.467 1.00 0.86 H new ATOM 0 HD12 LEU A 58 -17.215 -13.577 -13.088 1.00 0.86 H new ATOM 0 HD13 LEU A 58 -17.995 -13.228 -14.649 1.00 0.86 H new ATOM 0 HD21 LEU A 58 -20.148 -11.338 -13.477 1.00 0.60 H new ATOM 0 HD22 LEU A 58 -20.499 -12.613 -14.668 1.00 0.60 H new ATOM 0 HD23 LEU A 58 -21.377 -12.575 -13.121 1.00 0.60 H new ATOM 915 N LYS A 59 -22.003 -17.333 -12.570 1.00 0.70 N ATOM 916 CA LYS A 59 -22.627 -18.503 -13.197 1.00 0.90 C ATOM 917 C LYS A 59 -24.040 -18.162 -13.692 1.00 0.87 C ATOM 918 O LYS A 59 -24.871 -17.672 -12.924 1.00 0.95 O ATOM 919 CB LYS A 59 -22.661 -19.673 -12.198 1.00 1.13 C ATOM 920 CG LYS A 59 -22.048 -20.936 -12.801 1.00 1.41 C ATOM 921 CD LYS A 59 -22.302 -22.160 -11.919 1.00 1.78 C ATOM 922 CE LYS A 59 -23.547 -22.923 -12.376 1.00 2.18 C ATOM 923 NZ LYS A 59 -23.666 -24.245 -11.700 1.00 2.83 N ATOM 0 H LYS A 59 -21.828 -17.440 -11.571 1.00 0.70 H new ATOM 0 HA LYS A 59 -22.034 -18.801 -14.062 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -22.117 -19.398 -11.294 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -23.691 -19.872 -11.902 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -22.468 -21.107 -13.792 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -20.975 -20.795 -12.929 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -21.435 -22.820 -11.951 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -22.425 -21.845 -10.883 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -24.435 -22.327 -12.167 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -23.508 -23.069 -13.455 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -24.522 -24.731 -12.036 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -22.830 -24.824 -11.920 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -23.729 -24.105 -10.671 1.00 2.83 H new ATOM 937 N GLU A 60 -24.289 -18.413 -14.981 1.00 0.89 N ATOM 938 CA GLU A 60 -25.586 -18.133 -15.628 1.00 0.93 C ATOM 939 C GLU A 60 -25.890 -16.628 -15.608 1.00 0.71 C ATOM 940 O GLU A 60 -27.017 -16.217 -15.313 1.00 0.82 O ATOM 941 CB GLU A 60 -26.724 -18.914 -14.949 1.00 1.20 C ATOM 942 CG GLU A 60 -26.379 -20.396 -14.773 1.00 1.43 C ATOM 943 CD GLU A 60 -27.605 -21.166 -14.299 1.00 1.80 C ATOM 944 OE1 GLU A 60 -28.398 -20.604 -13.520 1.00 2.33 O ATOM 945 OE2 GLU A 60 -27.774 -22.332 -14.701 1.00 2.04 O ATOM 0 H GLU A 60 -23.597 -18.818 -15.612 1.00 0.89 H new ATOM 0 HA GLU A 60 -25.517 -18.461 -16.665 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -26.935 -18.473 -13.975 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -27.632 -18.822 -15.544 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -26.023 -20.809 -15.717 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -25.570 -20.506 -14.051 1.00 1.43 H new ATOM 952 N ALA A 61 -24.880 -15.817 -15.924 1.00 0.51 N ATOM 953 CA ALA A 61 -25.022 -14.360 -15.944 1.00 0.35 C ATOM 954 C ALA A 61 -25.351 -13.883 -17.358 1.00 0.35 C ATOM 955 O ALA A 61 -24.646 -14.218 -18.313 1.00 0.43 O ATOM 956 CB ALA A 61 -23.728 -13.696 -15.461 1.00 0.31 C ATOM 0 H ALA A 61 -23.947 -16.148 -16.172 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.836 -14.080 -15.275 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.846 -12.613 -15.480 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.511 -14.019 -14.443 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.905 -13.983 -16.116 1.00 0.31 H new ATOM 962 N ILE A 62 -26.402 -13.078 -17.478 1.00 0.34 N ATOM 963 CA ILE A 62 -26.815 -12.519 -18.766 1.00 0.37 C ATOM 964 C ILE A 62 -26.082 -11.191 -18.962 1.00 0.31 C ATOM 965 O ILE A 62 -25.895 -10.434 -18.007 1.00 0.31 O ATOM 966 CB ILE A 62 -28.339 -12.320 -18.798 1.00 0.46 C ATOM 967 CG1 ILE A 62 -29.055 -13.618 -18.393 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.803 -11.867 -20.186 1.00 0.57 C ATOM 969 CD1 ILE A 62 -30.564 -13.503 -18.579 1.00 1.27 C ATOM 0 H ILE A 62 -26.989 -12.795 -16.693 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.560 -13.202 -19.577 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.595 -11.539 -18.082 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -28.675 -14.446 -18.991 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.832 -13.848 -17.351 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.885 -11.733 -20.182 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -28.322 -10.923 -20.440 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.533 -12.622 -20.924 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -31.039 -14.438 -18.283 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -30.946 -12.691 -17.961 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -30.787 -13.298 -19.626 1.00 1.27 H new ATOM 981 N CYS A 63 -25.644 -10.921 -20.184 1.00 0.34 N ATOM 982 CA CYS A 63 -24.902 -9.698 -20.476 1.00 0.33 C ATOM 983 C CYS A 63 -25.390 -9.038 -21.768 1.00 0.34 C ATOM 984 O CYS A 63 -25.723 -9.714 -22.745 1.00 0.52 O ATOM 985 CB CYS A 63 -23.404 -10.025 -20.565 1.00 0.37 C ATOM 986 SG CYS A 63 -22.355 -8.593 -20.257 1.00 0.53 S ATOM 0 H CYS A 63 -25.788 -11.530 -20.989 1.00 0.34 H new ATOM 0 HA CYS A 63 -25.073 -8.986 -19.669 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -23.164 -10.807 -19.844 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -23.183 -10.425 -21.554 1.00 0.37 H new ATOM 0 HG CYS A 63 -23.083 -7.606 -19.827 1.00 0.53 H new ATOM 992 N GLU A 64 -25.412 -7.707 -21.747 1.00 0.26 N ATOM 993 CA GLU A 64 -25.833 -6.882 -22.884 1.00 0.29 C ATOM 994 C GLU A 64 -24.715 -5.892 -23.231 1.00 0.24 C ATOM 995 O GLU A 64 -23.824 -5.642 -22.417 1.00 0.36 O ATOM 996 CB GLU A 64 -27.130 -6.128 -22.526 1.00 0.33 C ATOM 997 CG GLU A 64 -28.237 -6.361 -23.560 1.00 0.81 C ATOM 998 CD GLU A 64 -28.134 -5.351 -24.696 1.00 1.41 C ATOM 999 OE1 GLU A 64 -27.231 -5.492 -25.544 1.00 1.83 O ATOM 1000 OE2 GLU A 64 -28.956 -4.416 -24.745 1.00 1.96 O ATOM 0 H GLU A 64 -25.135 -7.161 -20.931 1.00 0.26 H new ATOM 0 HA GLU A 64 -26.027 -7.516 -23.749 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -27.477 -6.451 -21.545 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -26.920 -5.061 -22.454 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -28.162 -7.373 -23.958 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -29.212 -6.278 -23.081 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.770 -5.322 -24.429 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.765 -4.353 -24.881 1.00 0.32 C ATOM 1009 C VAL A 65 -24.363 -2.943 -24.909 1.00 0.31 C ATOM 1010 O VAL A 65 -25.505 -2.747 -25.340 1.00 0.43 O ATOM 1011 CB VAL A 65 -23.258 -4.735 -26.282 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -22.058 -3.871 -26.688 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.879 -6.218 -26.342 1.00 0.39 C ATOM 0 H VAL A 65 -25.503 -5.512 -25.112 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.928 -4.366 -24.183 1.00 0.32 H new ATOM 0 HB VAL A 65 -24.070 -4.554 -26.986 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.720 -4.162 -27.682 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.352 -2.821 -26.698 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.248 -4.014 -25.973 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.524 -6.463 -27.343 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -22.091 -6.422 -25.617 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.753 -6.827 -26.108 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.575 -1.966 -24.462 1.00 0.25 N ATOM 1024 CA ALA A 66 -23.980 -0.558 -24.436 1.00 0.31 C ATOM 1025 C ALA A 66 -22.866 0.290 -25.055 1.00 0.34 C ATOM 1026 O ALA A 66 -22.048 0.890 -24.350 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.260 -0.105 -22.998 1.00 0.36 C ATOM 0 H ALA A 66 -22.633 -2.128 -24.106 1.00 0.25 H new ATOM 0 HA ALA A 66 -24.897 -0.434 -25.012 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.559 0.943 -22.998 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.061 -0.711 -22.575 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.359 -0.225 -22.397 1.00 0.36 H new ATOM 1033 N LEU A 67 -22.826 0.315 -26.384 1.00 0.55 N ATOM 1034 CA LEU A 67 -21.807 1.064 -27.130 1.00 0.71 C ATOM 1035 C LEU A 67 -22.038 2.576 -27.022 1.00 0.89 C ATOM 1036 O LEU A 67 -21.103 3.343 -26.782 1.00 1.22 O ATOM 1037 CB LEU A 67 -21.831 0.627 -28.602 1.00 0.76 C ATOM 1038 CG LEU A 67 -20.737 1.307 -29.430 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -19.358 1.000 -28.858 1.00 1.38 C ATOM 1040 CD2 LEU A 67 -20.818 0.864 -30.888 1.00 1.39 C ATOM 0 H LEU A 67 -23.493 -0.179 -26.976 1.00 0.55 H new ATOM 0 HA LEU A 67 -20.830 0.847 -26.698 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -21.707 -0.454 -28.659 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -22.805 0.859 -29.031 1.00 0.76 H new ATOM 0 HG LEU A 67 -20.895 2.385 -29.385 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -18.596 1.493 -29.461 1.00 1.38 H new ATOM 0 HD12 LEU A 67 -19.300 1.364 -27.832 1.00 1.38 H new ATOM 0 HD13 LEU A 67 -19.190 -0.077 -28.871 1.00 1.38 H new ATOM 0 HD21 LEU A 67 -20.033 1.357 -31.462 1.00 1.39 H new ATOM 0 HD22 LEU A 67 -20.687 -0.216 -30.948 1.00 1.39 H new ATOM 0 HD23 LEU A 67 -21.791 1.135 -31.297 1.00 1.39 H new ATOM 1052 N ASP A 68 -23.287 2.995 -27.224 1.00 0.90 N ATOM 1053 CA ASP A 68 -23.664 4.411 -27.179 1.00 1.14 C ATOM 1054 C ASP A 68 -24.388 4.744 -25.870 1.00 0.87 C ATOM 1055 O ASP A 68 -25.577 5.068 -25.872 1.00 1.00 O ATOM 1056 CB ASP A 68 -24.550 4.728 -28.394 1.00 1.59 C ATOM 1057 CG ASP A 68 -24.748 6.232 -28.571 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -23.743 6.971 -28.563 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -25.909 6.678 -28.702 1.00 2.62 O ATOM 0 H ASP A 68 -24.065 2.366 -27.423 1.00 0.90 H new ATOM 0 HA ASP A 68 -22.765 5.027 -27.216 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -24.096 4.312 -29.294 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -25.520 4.245 -28.273 1.00 1.59 H new ATOM 1064 N TYR A 69 -23.659 4.681 -24.760 1.00 0.81 N ATOM 1065 CA TYR A 69 -24.211 5.000 -23.435 1.00 0.69 C ATOM 1066 C TYR A 69 -23.699 6.375 -22.982 1.00 0.97 C ATOM 1067 O TYR A 69 -23.177 7.148 -23.789 1.00 1.47 O ATOM 1068 CB TYR A 69 -23.806 3.914 -22.426 1.00 0.58 C ATOM 1069 CG TYR A 69 -24.610 3.966 -21.145 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -25.980 3.760 -21.178 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -23.984 4.235 -19.937 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -26.719 3.822 -20.011 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.726 4.294 -18.770 1.00 0.64 C ATOM 1074 CZ TYR A 69 -26.090 4.090 -18.813 1.00 0.76 C ATOM 1075 OH TYR A 69 -26.829 4.154 -17.657 1.00 0.97 O ATOM 0 H TYR A 69 -22.676 4.410 -24.746 1.00 0.81 H new ATOM 0 HA TYR A 69 -25.299 5.032 -23.491 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -23.930 2.934 -22.887 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -22.748 4.023 -22.189 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -26.471 3.551 -22.117 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -22.917 4.399 -19.907 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -27.787 3.661 -20.037 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -24.239 4.499 -17.828 1.00 0.64 H new ATOM 0 HH TYR A 69 -27.605 3.560 -17.731 1.00 0.97 H new ATOM 1173 N HIS A 74 -16.830 2.014 -24.421 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.425 0.695 -24.623 1.00 0.38 C ATOM 1175 C HIS A 74 -17.937 0.201 -23.275 1.00 0.30 C ATOM 1176 O HIS A 74 -17.143 -0.156 -22.399 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.386 -0.288 -25.206 1.00 0.64 C ATOM 1178 CG HIS A 74 -16.393 -0.348 -26.708 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -15.609 0.453 -27.496 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -17.101 -1.111 -27.580 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -15.813 0.209 -28.766 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -16.722 -0.748 -28.859 1.00 1.53 N ATOM 0 HA HIS A 74 -18.247 0.759 -25.336 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.392 0.003 -24.867 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -16.579 -1.285 -24.810 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -17.829 -1.866 -27.321 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -15.325 0.703 -29.593 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -17.081 -1.149 -29.725 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.258 0.209 -23.102 1.00 0.26 N ATOM 1191 CA VAL A 75 -19.895 -0.215 -21.853 1.00 0.23 C ATOM 1192 C VAL A 75 -20.745 -1.460 -22.103 1.00 0.22 C ATOM 1193 O VAL A 75 -21.228 -1.672 -23.214 1.00 0.26 O ATOM 1194 CB VAL A 75 -20.766 0.937 -21.312 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.411 0.580 -19.966 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -19.935 2.215 -21.187 1.00 0.31 C ATOM 0 H VAL A 75 -19.917 0.509 -23.821 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.133 -0.461 -21.114 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.573 1.106 -22.025 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.016 1.418 -19.619 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.044 -0.299 -20.088 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -20.632 0.368 -19.234 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.562 3.020 -20.804 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.105 2.044 -20.501 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.545 2.493 -22.166 1.00 0.31 H new ATOM 1206 N PHE A 76 -20.942 -2.269 -21.069 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.757 -3.481 -21.172 1.00 0.23 C ATOM 1208 C PHE A 76 -22.571 -3.663 -19.892 1.00 0.22 C ATOM 1209 O PHE A 76 -22.096 -3.390 -18.787 1.00 0.27 O ATOM 1210 CB PHE A 76 -20.900 -4.725 -21.480 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.753 -4.985 -20.526 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -18.579 -4.258 -20.635 1.00 0.26 C ATOM 1213 CD2 PHE A 76 -19.862 -5.975 -19.563 1.00 0.27 C ATOM 1214 CE1 PHE A 76 -17.518 -4.522 -19.786 1.00 0.28 C ATOM 1215 CE2 PHE A 76 -18.804 -6.235 -18.710 1.00 0.29 C ATOM 1216 CZ PHE A 76 -17.632 -5.509 -18.821 1.00 0.29 C ATOM 0 H PHE A 76 -20.547 -2.109 -20.142 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.443 -3.365 -22.011 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.550 -5.600 -21.484 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.495 -4.624 -22.487 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -18.491 -3.484 -21.383 1.00 0.26 H new ATOM 0 HD2 PHE A 76 -20.775 -6.545 -19.478 1.00 0.27 H new ATOM 0 HE1 PHE A 76 -16.601 -3.958 -19.876 1.00 0.28 H new ATOM 0 HE2 PHE A 76 -18.893 -7.005 -17.958 1.00 0.29 H new ATOM 0 HZ PHE A 76 -16.806 -5.712 -18.155 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.809 -4.117 -20.063 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.742 -4.342 -18.953 1.00 0.28 C ATOM 1228 C LYS A 77 -24.624 -5.789 -18.485 1.00 0.31 C ATOM 1229 O LYS A 77 -24.791 -6.716 -19.275 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.185 -4.003 -19.413 1.00 0.36 C ATOM 1231 CG LYS A 77 -27.287 -4.660 -18.563 1.00 1.20 C ATOM 1232 CD LYS A 77 -27.384 -4.062 -17.161 1.00 1.33 C ATOM 1233 CE LYS A 77 -28.289 -2.824 -17.146 1.00 1.76 C ATOM 1234 NZ LYS A 77 -29.704 -3.156 -17.481 1.00 1.95 N ATOM 0 H LYS A 77 -24.199 -4.342 -20.978 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.498 -3.692 -18.113 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.318 -2.921 -19.388 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.307 -4.315 -20.450 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -28.246 -4.548 -19.069 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -27.091 -5.729 -18.485 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -27.775 -4.809 -16.471 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -26.389 -3.792 -16.809 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -28.250 -2.360 -16.161 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -27.911 -2.091 -17.859 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -30.327 -2.390 -17.155 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -29.800 -3.266 -18.511 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -29.973 -4.044 -17.011 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.332 -5.970 -17.200 1.00 0.23 N ATOM 1249 CA LEU A 78 -24.188 -7.297 -16.606 1.00 0.24 C ATOM 1250 C LEU A 78 -25.361 -7.570 -15.664 1.00 0.29 C ATOM 1251 O LEU A 78 -25.467 -6.961 -14.596 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.854 -7.388 -15.842 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.068 -8.650 -16.210 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -20.945 -8.874 -15.203 1.00 0.86 C ATOM 1255 CD2 LEU A 78 -22.970 -9.886 -16.278 1.00 0.30 C ATOM 0 H LEU A 78 -24.189 -5.204 -16.542 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.189 -8.048 -17.396 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -22.250 -6.508 -16.061 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -23.049 -7.382 -14.770 1.00 0.30 H new ATOM 0 HG LEU A 78 -21.644 -8.499 -17.203 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -20.390 -9.773 -15.471 1.00 0.86 H new ATOM 0 HD12 LEU A 78 -20.272 -8.016 -15.212 1.00 0.86 H new ATOM 0 HD13 LEU A 78 -21.369 -8.993 -14.206 1.00 0.86 H new ATOM 0 HD21 LEU A 78 -22.372 -10.758 -16.542 1.00 0.30 H new ATOM 0 HD22 LEU A 78 -23.439 -10.048 -15.308 1.00 0.30 H new ATOM 0 HD23 LEU A 78 -23.741 -9.733 -17.033 1.00 0.30 H new ATOM 1267 N ARG A 79 -26.224 -8.505 -16.060 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.381 -8.902 -15.261 1.00 0.40 C ATOM 1269 C ARG A 79 -27.043 -10.220 -14.567 1.00 0.45 C ATOM 1270 O ARG A 79 -27.085 -11.290 -15.180 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.621 -9.052 -16.155 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.895 -9.295 -15.327 1.00 1.11 C ATOM 1273 CD ARG A 79 -30.745 -10.431 -15.907 1.00 1.51 C ATOM 1274 NE ARG A 79 -31.785 -9.900 -16.800 1.00 1.91 N ATOM 1275 CZ ARG A 79 -33.082 -10.114 -16.578 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -33.622 -9.722 -15.430 1.00 2.99 N ATOM 1277 NH2 ARG A 79 -33.816 -10.723 -17.498 1.00 2.93 N ATOM 0 H ARG A 79 -26.140 -9.008 -16.943 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.609 -8.140 -14.515 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.745 -8.153 -16.758 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.473 -9.882 -16.846 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.620 -9.535 -14.300 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -30.486 -8.380 -15.293 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -30.108 -11.125 -16.455 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -31.208 -10.995 -15.097 1.00 1.51 H new ATOM 0 HE ARG A 79 -31.506 -9.352 -17.614 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -33.045 -9.261 -14.726 1.00 2.99 H new ATOM 0 HH12 ARG A 79 -34.614 -9.882 -15.252 1.00 2.99 H new ATOM 0 HH21 ARG A 79 -33.388 -11.027 -18.373 1.00 2.93 H new ATOM 0 HH22 ARG A 79 -34.809 -10.888 -17.331 1.00 2.93 H new ATOM 1291 N LEU A 80 -26.685 -10.125 -13.292 1.00 0.54 N ATOM 1292 CA LEU A 80 -26.306 -11.291 -12.489 1.00 0.68 C ATOM 1293 C LEU A 80 -27.517 -12.182 -12.213 1.00 0.84 C ATOM 1294 O LEU A 80 -28.657 -11.710 -12.184 1.00 1.06 O ATOM 1295 CB LEU A 80 -25.687 -10.831 -11.158 1.00 0.82 C ATOM 1296 CG LEU A 80 -24.527 -9.848 -11.360 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -23.896 -9.501 -10.017 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -23.476 -10.420 -12.316 1.00 1.26 C ATOM 0 H LEU A 80 -26.648 -9.242 -12.783 1.00 0.54 H new ATOM 0 HA LEU A 80 -25.573 -11.869 -13.052 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -26.456 -10.360 -10.547 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -25.330 -11.701 -10.607 1.00 0.82 H new ATOM 0 HG LEU A 80 -24.925 -8.938 -11.810 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -23.073 -8.803 -10.171 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -24.645 -9.043 -9.371 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -23.518 -10.409 -9.547 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -22.666 -9.701 -12.439 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -23.078 -11.348 -11.906 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -23.935 -10.619 -13.284 1.00 1.26 H new ATOM 1310 N SER A 81 -27.258 -13.474 -11.991 1.00 1.01 N ATOM 1311 CA SER A 81 -28.304 -14.461 -11.694 1.00 1.23 C ATOM 1312 C SER A 81 -29.049 -14.107 -10.392 1.00 1.40 C ATOM 1313 O SER A 81 -30.186 -14.535 -10.179 1.00 1.92 O ATOM 1314 CB SER A 81 -27.676 -15.867 -11.602 1.00 1.52 C ATOM 1315 OG SER A 81 -26.258 -15.802 -11.459 1.00 2.18 O ATOM 0 H SER A 81 -26.317 -13.867 -12.012 1.00 1.01 H new ATOM 0 HA SER A 81 -29.036 -14.450 -12.502 1.00 1.23 H new ATOM 0 HB2 SER A 81 -28.103 -16.402 -10.754 1.00 1.52 H new ATOM 0 HB3 SER A 81 -27.926 -16.437 -12.497 1.00 1.52 H new ATOM 0 HG SER A 81 -25.836 -16.397 -12.113 1.00 2.18 H new ATOM 1321 N ASP A 82 -28.394 -13.311 -9.537 1.00 1.33 N ATOM 1322 CA ASP A 82 -28.965 -12.863 -8.258 1.00 1.76 C ATOM 1323 C ASP A 82 -30.124 -11.881 -8.496 1.00 1.31 C ATOM 1324 O ASP A 82 -31.074 -11.829 -7.714 1.00 1.74 O ATOM 1325 CB ASP A 82 -27.867 -12.191 -7.411 1.00 2.76 C ATOM 1326 CG ASP A 82 -28.305 -12.013 -5.957 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -28.872 -12.964 -5.377 1.00 3.77 O ATOM 1328 OD2 ASP A 82 -28.077 -10.924 -5.387 1.00 3.98 O ATOM 0 H ASP A 82 -27.453 -12.959 -9.712 1.00 1.33 H new ATOM 0 HA ASP A 82 -29.355 -13.729 -7.724 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -26.960 -12.794 -7.447 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -27.621 -11.219 -7.839 1.00 2.76 H new ATOM 1333 N GLY A 83 -30.034 -11.112 -9.587 1.00 1.09 N ATOM 1334 CA GLY A 83 -31.062 -10.131 -9.957 1.00 1.53 C ATOM 1335 C GLY A 83 -30.446 -8.758 -10.246 1.00 1.31 C ATOM 1336 O GLY A 83 -30.934 -8.026 -11.133 1.00 1.88 O ATOM 0 H GLY A 83 -29.249 -11.151 -10.237 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -31.602 -10.482 -10.837 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -31.790 -10.043 -9.150 1.00 1.53 H new ATOM 1340 N ASN A 84 -29.391 -8.409 -9.475 1.00 0.93 N ATOM 1341 CA ASN A 84 -28.689 -7.115 -9.594 1.00 0.71 C ATOM 1342 C ASN A 84 -28.191 -6.857 -11.021 1.00 0.62 C ATOM 1343 O ASN A 84 -27.781 -7.783 -11.731 1.00 0.65 O ATOM 1344 CB ASN A 84 -27.498 -7.067 -8.622 1.00 0.84 C ATOM 1345 CG ASN A 84 -27.960 -7.221 -7.170 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -29.065 -7.698 -6.903 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -27.115 -6.826 -6.232 1.00 1.32 N ATOM 0 H ASN A 84 -29.004 -9.018 -8.754 1.00 0.93 H new ATOM 0 HA ASN A 84 -29.408 -6.335 -9.343 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -26.793 -7.861 -8.868 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -26.968 -6.122 -8.739 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -27.369 -6.911 -5.248 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -26.209 -6.436 -6.493 1.00 1.32 H new ATOM 1354 N GLU A 85 -28.234 -5.585 -11.425 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.806 -5.154 -12.759 1.00 0.55 C ATOM 1356 C GLU A 85 -26.802 -4.004 -12.648 1.00 0.47 C ATOM 1357 O GLU A 85 -27.137 -2.920 -12.155 1.00 0.60 O ATOM 1358 CB GLU A 85 -29.024 -4.697 -13.561 1.00 0.70 C ATOM 1359 CG GLU A 85 -29.864 -5.887 -14.023 1.00 1.16 C ATOM 1360 CD GLU A 85 -31.104 -5.396 -14.750 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -30.969 -4.805 -15.838 1.00 1.43 O ATOM 1362 OE2 GLU A 85 -32.221 -5.618 -14.246 1.00 1.39 O ATOM 0 H GLU A 85 -28.567 -4.823 -10.835 1.00 0.59 H new ATOM 0 HA GLU A 85 -27.327 -5.991 -13.266 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.636 -4.033 -12.950 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.697 -4.122 -14.427 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -29.275 -6.525 -14.682 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -30.152 -6.494 -13.165 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.576 -4.241 -13.120 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.506 -3.232 -13.093 1.00 0.31 C ATOM 1371 C TYR A 86 -23.969 -2.975 -14.505 1.00 0.29 C ATOM 1372 O TYR A 86 -23.977 -3.869 -15.357 1.00 0.40 O ATOM 1373 CB TYR A 86 -23.338 -3.694 -12.198 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.732 -4.253 -10.838 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -24.617 -3.571 -10.013 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -23.178 -5.447 -10.402 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -24.941 -4.078 -8.768 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -23.509 -5.955 -9.156 1.00 0.62 C ATOM 1379 CZ TYR A 86 -24.388 -5.268 -8.344 1.00 0.63 C ATOM 1380 OH TYR A 86 -24.710 -5.775 -7.105 1.00 0.77 O ATOM 0 H TYR A 86 -25.294 -5.131 -13.530 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.933 -2.314 -12.689 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.773 -4.456 -12.734 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.667 -2.849 -12.043 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -25.054 -2.641 -10.345 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -22.486 -5.983 -11.035 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -25.627 -3.542 -8.128 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -23.080 -6.888 -8.821 1.00 0.62 H new ATOM 0 HH TYR A 86 -24.234 -6.620 -6.964 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.464 -1.759 -14.728 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.866 -1.369 -16.010 1.00 0.23 C ATOM 1392 C LEU A 87 -21.350 -1.362 -15.851 1.00 0.22 C ATOM 1393 O LEU A 87 -20.833 -0.795 -14.882 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.326 0.034 -16.433 1.00 0.26 C ATOM 1395 CG LEU A 87 -24.838 0.123 -16.649 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.198 1.437 -17.330 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.355 -1.046 -17.480 1.00 0.38 C ATOM 0 H LEU A 87 -23.457 -1.018 -14.027 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.179 -2.079 -16.775 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -23.030 0.754 -15.670 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -22.815 0.317 -17.353 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.313 0.080 -15.669 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.277 1.487 -17.477 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -24.878 2.270 -16.704 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -24.697 1.495 -18.296 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.433 -0.949 -17.613 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -24.867 -1.043 -18.455 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.135 -1.982 -16.967 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.645 -1.989 -16.785 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.185 -2.058 -16.736 1.00 0.19 C ATOM 1411 C PHE A 88 -18.575 -1.348 -17.945 1.00 0.20 C ATOM 1412 O PHE A 88 -18.964 -1.612 -19.081 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.739 -3.519 -16.700 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.894 -4.146 -15.334 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.920 -3.949 -14.371 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -20.001 -4.925 -15.046 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -18.050 -4.529 -13.124 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -20.133 -5.506 -13.796 1.00 0.25 C ATOM 1419 CZ PHE A 88 -19.157 -5.310 -12.835 1.00 0.22 C ATOM 0 H PHE A 88 -21.060 -2.459 -17.589 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.838 -1.556 -15.833 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.320 -4.089 -17.424 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.695 -3.583 -17.008 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.056 -3.340 -14.595 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.762 -5.080 -15.796 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.288 -4.374 -12.374 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.998 -6.112 -13.571 1.00 0.25 H new ATOM 0 HZ PHE A 88 -19.258 -5.765 -11.861 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.619 -0.450 -17.692 1.00 0.23 N ATOM 1430 CA GLN A 89 -16.941 0.305 -18.759 1.00 0.26 C ATOM 1431 C GLN A 89 -15.510 -0.205 -18.941 1.00 0.22 C ATOM 1432 O GLN A 89 -14.748 -0.302 -17.973 1.00 0.25 O ATOM 1433 CB GLN A 89 -16.916 1.806 -18.422 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.626 2.672 -19.660 1.00 0.52 C ATOM 1435 CD GLN A 89 -15.539 3.706 -19.363 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -15.829 4.792 -18.870 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -14.295 3.378 -19.665 1.00 1.63 N ATOM 0 H GLN A 89 -17.293 -0.224 -16.752 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.494 0.159 -19.687 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -17.875 2.097 -17.993 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -16.157 1.994 -17.663 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -16.312 2.036 -20.488 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -17.538 3.178 -19.976 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -14.093 2.466 -20.074 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -13.537 4.037 -19.489 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.162 -0.501 -20.194 1.00 0.22 N ATOM 1447 CA ALA A 90 -13.827 -0.987 -20.571 1.00 0.24 C ATOM 1448 C ALA A 90 -13.014 0.168 -21.177 1.00 0.27 C ATOM 1449 O ALA A 90 -13.557 1.251 -21.429 1.00 0.32 O ATOM 1450 CB ALA A 90 -13.971 -2.129 -21.584 1.00 0.29 C ATOM 0 H ALA A 90 -15.801 -0.411 -20.984 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.305 -1.359 -19.690 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -12.983 -2.492 -21.866 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.542 -2.942 -21.137 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.491 -1.766 -22.471 1.00 0.29 H new ATOM 1456 N LYS A 91 -11.719 -0.057 -21.413 1.00 0.35 N ATOM 1457 CA LYS A 91 -10.841 0.967 -21.984 1.00 0.44 C ATOM 1458 C LYS A 91 -10.803 0.887 -23.524 1.00 0.49 C ATOM 1459 O LYS A 91 -10.362 1.830 -24.186 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.433 0.810 -21.404 1.00 0.65 C ATOM 1461 CG LYS A 91 -8.954 -0.640 -21.450 1.00 1.26 C ATOM 1462 CD LYS A 91 -7.561 -0.727 -22.043 1.00 1.43 C ATOM 1463 CE LYS A 91 -7.041 -2.165 -22.060 1.00 1.86 C ATOM 1464 NZ LYS A 91 -5.830 -2.292 -22.914 1.00 2.29 N ATOM 0 H LYS A 91 -11.254 -0.943 -21.216 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.237 1.948 -21.720 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -8.739 1.439 -21.961 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -9.424 1.162 -20.373 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -8.953 -1.060 -20.444 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -9.645 -1.238 -22.044 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -7.573 -0.333 -23.059 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -6.880 -0.101 -21.466 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -6.806 -2.481 -21.044 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -7.820 -2.831 -22.429 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -5.501 -3.279 -22.905 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -6.062 -2.013 -23.889 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -5.079 -1.674 -22.546 1.00 2.29 H new ATOM 1478 N ASP A 92 -11.276 -0.232 -24.088 1.00 0.49 N ATOM 1479 CA ASP A 92 -11.311 -0.428 -25.548 1.00 0.66 C ATOM 1480 C ASP A 92 -12.355 -1.493 -25.912 1.00 0.59 C ATOM 1481 O ASP A 92 -12.944 -2.135 -25.033 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.919 -0.824 -26.093 1.00 0.84 C ATOM 1483 CG ASP A 92 -9.667 -0.181 -27.463 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -10.584 -0.187 -28.311 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -8.547 0.323 -27.700 1.00 2.01 O ATOM 0 H ASP A 92 -11.642 -1.020 -23.554 1.00 0.49 H new ATOM 0 HA ASP A 92 -11.593 0.517 -26.012 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -9.146 -0.510 -25.391 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.852 -1.909 -26.177 1.00 0.84 H new ATOM 1490 N ASP A 93 -12.588 -1.661 -27.215 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.578 -2.623 -27.731 1.00 0.63 C ATOM 1492 C ASP A 93 -13.138 -4.082 -27.523 1.00 0.49 C ATOM 1493 O ASP A 93 -13.958 -4.938 -27.182 1.00 0.54 O ATOM 1494 CB ASP A 93 -13.893 -2.318 -29.218 1.00 0.83 C ATOM 1495 CG ASP A 93 -12.907 -2.960 -30.197 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -13.070 -4.156 -30.511 1.00 2.21 O ATOM 1497 OD2 ASP A 93 -11.991 -2.260 -30.675 1.00 2.13 O ATOM 0 H ASP A 93 -12.101 -1.139 -27.944 1.00 0.62 H new ATOM 0 HA ASP A 93 -14.495 -2.503 -27.155 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -14.899 -2.668 -29.447 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -13.890 -1.238 -29.367 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.850 -4.366 -27.732 1.00 0.41 N ATOM 1503 CA GLU A 94 -11.313 -5.724 -27.571 1.00 0.41 C ATOM 1504 C GLU A 94 -11.382 -6.163 -26.108 1.00 0.36 C ATOM 1505 O GLU A 94 -11.716 -7.313 -25.815 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.874 -5.789 -28.090 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.845 -5.742 -29.619 1.00 1.21 C ATOM 1508 CD GLU A 94 -8.423 -5.542 -30.115 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -7.638 -6.512 -30.098 1.00 2.59 O ATOM 1510 OE2 GLU A 94 -8.091 -4.414 -30.533 1.00 2.43 O ATOM 0 H GLU A 94 -11.156 -3.673 -28.014 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.924 -6.410 -28.158 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -9.299 -4.956 -27.685 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -9.398 -6.705 -27.741 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -10.252 -6.668 -30.026 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -10.479 -4.931 -29.977 1.00 1.21 H new ATOM 1517 N GLU A 95 -11.104 -5.235 -25.188 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.174 -5.529 -23.753 1.00 0.29 C ATOM 1519 C GLU A 95 -12.628 -5.826 -23.364 1.00 0.24 C ATOM 1520 O GLU A 95 -12.904 -6.801 -22.662 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.639 -4.354 -22.929 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.222 -4.816 -21.521 1.00 0.42 C ATOM 1523 CD GLU A 95 -10.505 -3.750 -20.465 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -10.970 -2.655 -20.839 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -10.264 -3.999 -19.269 1.00 1.30 O ATOM 0 H GLU A 95 -10.830 -4.278 -25.409 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.554 -6.400 -23.542 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.785 -3.907 -23.437 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.404 -3.581 -22.851 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -10.757 -5.731 -21.266 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.159 -5.057 -21.518 1.00 0.42 H new ATOM 1532 N MET A 96 -13.552 -4.988 -23.860 1.00 0.24 N ATOM 1533 CA MET A 96 -14.996 -5.147 -23.611 1.00 0.22 C ATOM 1534 C MET A 96 -15.468 -6.523 -24.100 1.00 0.22 C ATOM 1535 O MET A 96 -16.187 -7.232 -23.397 1.00 0.23 O ATOM 1536 CB MET A 96 -15.768 -4.036 -24.334 1.00 0.26 C ATOM 1537 CG MET A 96 -17.233 -3.977 -23.888 1.00 0.39 C ATOM 1538 SD MET A 96 -18.354 -3.523 -25.227 1.00 0.94 S ATOM 1539 CE MET A 96 -17.983 -4.783 -26.462 1.00 0.77 C ATOM 0 H MET A 96 -13.322 -4.183 -24.443 1.00 0.24 H new ATOM 0 HA MET A 96 -15.185 -5.075 -22.540 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.290 -3.076 -24.140 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.722 -4.203 -25.410 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.526 -4.948 -23.489 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.332 -3.256 -23.077 1.00 0.39 H new ATOM 0 HE1 MET A 96 -18.879 -4.995 -27.046 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.195 -4.423 -27.124 1.00 0.77 H new ATOM 0 HE3 MET A 96 -17.651 -5.694 -25.964 1.00 0.77 H new ATOM 1549 N ASN A 97 -15.027 -6.895 -25.307 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.364 -8.193 -25.913 1.00 0.28 C ATOM 1551 C ASN A 97 -14.840 -9.336 -25.029 1.00 0.26 C ATOM 1552 O ASN A 97 -15.576 -10.272 -24.710 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.751 -8.275 -27.321 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.112 -9.589 -28.018 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -16.266 -10.025 -27.996 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -14.123 -10.218 -28.633 1.00 1.24 N ATOM 0 H ASN A 97 -14.429 -6.310 -25.891 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.447 -8.288 -25.993 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -15.103 -7.436 -27.921 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.667 -8.185 -27.252 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -14.300 -11.100 -29.114 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -13.183 -9.821 -28.626 1.00 1.24 H new ATOM 1563 N THR A 98 -13.573 -9.230 -24.625 1.00 0.25 N ATOM 1564 CA THR A 98 -12.930 -10.232 -23.760 1.00 0.27 C ATOM 1565 C THR A 98 -13.657 -10.341 -22.408 1.00 0.23 C ATOM 1566 O THR A 98 -13.825 -11.436 -21.874 1.00 0.27 O ATOM 1567 CB THR A 98 -11.450 -9.861 -23.546 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.824 -9.577 -24.796 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.697 -10.993 -22.849 1.00 0.39 C ATOM 0 H THR A 98 -12.963 -8.454 -24.884 1.00 0.25 H new ATOM 0 HA THR A 98 -12.989 -11.204 -24.251 1.00 0.27 H new ATOM 0 HB THR A 98 -11.417 -8.974 -22.913 1.00 0.31 H new ATOM 0 HG1 THR A 98 -10.915 -8.622 -24.998 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.655 -10.705 -22.710 1.00 0.39 H new ATOM 0 HG22 THR A 98 -11.152 -11.189 -21.878 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.746 -11.894 -23.461 1.00 0.39 H new ATOM 1577 N TRP A 99 -14.098 -9.201 -21.863 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.816 -9.172 -20.580 1.00 0.20 C ATOM 1579 C TRP A 99 -16.151 -9.915 -20.693 1.00 0.21 C ATOM 1580 O TRP A 99 -16.467 -10.769 -19.861 1.00 0.24 O ATOM 1581 CB TRP A 99 -15.057 -7.717 -20.133 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.914 -7.142 -19.338 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.124 -6.073 -19.680 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.437 -7.600 -18.053 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.197 -5.879 -18.693 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.360 -6.781 -17.690 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.815 -8.626 -17.182 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.666 -6.959 -16.506 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -13.126 -8.807 -15.989 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -12.061 -7.982 -15.656 1.00 0.29 C ATOM 0 H TRP A 99 -13.971 -8.284 -22.291 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.201 -9.673 -19.832 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.227 -7.097 -21.013 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.966 -7.674 -19.533 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.219 -5.483 -20.579 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.479 -5.154 -18.708 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.640 -9.276 -17.435 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.836 -6.317 -16.250 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.422 -9.597 -15.315 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.534 -8.138 -14.726 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.924 -9.592 -21.736 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.229 -10.228 -21.978 1.00 0.24 C ATOM 1603 C ILE A 100 -18.062 -11.742 -22.186 1.00 0.28 C ATOM 1604 O ILE A 100 -18.835 -12.537 -21.647 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.916 -9.583 -23.197 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.324 -8.142 -22.876 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.147 -10.386 -23.639 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.844 -7.412 -24.111 1.00 0.29 C ATOM 0 H ILE A 100 -16.669 -8.890 -22.431 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.860 -10.074 -21.103 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.199 -9.582 -24.018 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -20.094 -8.146 -22.105 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.468 -7.604 -22.469 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.607 -9.902 -24.501 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.844 -11.397 -23.909 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.866 -10.429 -22.821 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -20.123 -6.393 -23.841 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -19.065 -7.385 -24.873 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.716 -7.935 -24.503 1.00 0.29 H new ATOM 1620 N GLN A 101 -17.041 -12.136 -22.957 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.762 -13.555 -23.225 1.00 0.35 C ATOM 1622 C GLN A 101 -16.333 -14.273 -21.938 1.00 0.36 C ATOM 1623 O GLN A 101 -16.785 -15.386 -21.666 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.675 -13.695 -24.299 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.221 -13.350 -25.692 1.00 0.48 C ATOM 1626 CD GLN A 101 -15.360 -13.967 -26.796 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -14.093 -14.217 -26.505 1.00 1.81 O flip ATOM 1628 NE2 GLN A 101 -15.842 -14.216 -27.900 1.00 1.76 N flip ATOM 0 H GLN A 101 -16.392 -11.491 -23.408 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.677 -14.020 -23.593 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -14.838 -13.038 -24.061 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.290 -14.715 -24.299 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -17.246 -13.711 -25.783 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -16.252 -12.267 -25.815 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -16.823 -14.009 -28.087 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -15.260 -14.630 -28.629 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.481 -13.620 -21.143 1.00 0.32 N ATOM 1638 CA ALA A 102 -15.001 -14.181 -19.869 1.00 0.37 C ATOM 1639 C ALA A 102 -16.176 -14.428 -18.914 1.00 0.38 C ATOM 1640 O ALA A 102 -16.239 -15.458 -18.237 1.00 0.48 O ATOM 1641 CB ALA A 102 -13.996 -13.224 -19.226 1.00 0.38 C ATOM 0 H ALA A 102 -15.105 -12.696 -21.358 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.511 -15.134 -20.069 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.645 -13.645 -18.284 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.149 -13.080 -19.897 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.477 -12.264 -19.038 1.00 0.38 H new ATOM 1647 N ILE A 103 -17.120 -13.485 -18.896 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.325 -13.583 -18.065 1.00 0.38 C ATOM 1649 C ILE A 103 -19.248 -14.685 -18.619 1.00 0.47 C ATOM 1650 O ILE A 103 -19.853 -15.440 -17.859 1.00 0.55 O ATOM 1651 CB ILE A 103 -19.042 -12.220 -18.032 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -18.208 -11.201 -17.238 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.445 -12.337 -17.424 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.428 -9.771 -17.740 1.00 0.35 C ATOM 0 H ILE A 103 -17.073 -12.633 -19.455 1.00 0.33 H new ATOM 0 HA ILE A 103 -18.051 -13.850 -17.044 1.00 0.38 H new ATOM 0 HB ILE A 103 -19.149 -11.876 -19.061 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.471 -11.260 -16.182 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -17.151 -11.456 -17.318 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.921 -11.357 -17.417 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -21.043 -13.027 -18.019 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.369 -12.711 -16.403 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.821 -9.082 -17.153 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -18.140 -9.705 -18.789 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.480 -9.507 -17.636 1.00 0.35 H new ATOM 1666 N SER A 104 -19.326 -14.787 -19.955 1.00 0.53 N ATOM 1667 CA SER A 104 -20.149 -15.810 -20.623 1.00 0.66 C ATOM 1668 C SER A 104 -19.560 -17.217 -20.411 1.00 0.72 C ATOM 1669 O SER A 104 -20.285 -18.213 -20.438 1.00 0.89 O ATOM 1670 CB SER A 104 -20.248 -15.504 -22.122 1.00 0.81 C ATOM 1671 OG SER A 104 -20.787 -14.205 -22.336 1.00 1.05 O ATOM 0 H SER A 104 -18.827 -14.171 -20.597 1.00 0.53 H new ATOM 0 HA SER A 104 -21.146 -15.788 -20.183 1.00 0.66 H new ATOM 0 HB2 SER A 104 -19.260 -15.573 -22.578 1.00 0.81 H new ATOM 0 HB3 SER A 104 -20.877 -16.249 -22.609 1.00 0.81 H new ATOM 0 HG SER A 104 -20.097 -13.532 -22.160 1.00 1.05 H new ATOM 1677 N SER A 105 -18.244 -17.287 -20.186 1.00 0.80 N ATOM 1678 CA SER A 105 -17.546 -18.559 -19.953 1.00 1.13 C ATOM 1679 C SER A 105 -17.758 -19.060 -18.514 1.00 1.23 C ATOM 1680 O SER A 105 -17.295 -20.143 -18.156 1.00 1.61 O ATOM 1681 CB SER A 105 -16.048 -18.388 -20.236 1.00 1.48 C ATOM 1682 OG SER A 105 -15.837 -17.904 -21.560 1.00 1.63 O ATOM 0 H SER A 105 -17.634 -16.470 -20.160 1.00 0.80 H new ATOM 0 HA SER A 105 -17.962 -19.304 -20.631 1.00 1.13 H new ATOM 0 HB2 SER A 105 -15.614 -17.694 -19.516 1.00 1.48 H new ATOM 0 HB3 SER A 105 -15.537 -19.342 -20.107 1.00 1.48 H new ATOM 0 HG SER A 105 -16.040 -16.946 -21.594 1.00 1.63 H new ATOM 1688 N ALA A 106 -18.469 -18.277 -17.696 1.00 1.29 N ATOM 1689 CA ALA A 106 -18.756 -18.649 -16.307 1.00 1.59 C ATOM 1690 C ALA A 106 -20.004 -19.528 -16.259 1.00 2.40 C ATOM 1691 O ALA A 106 -20.972 -19.232 -16.995 1.00 3.00 O ATOM 1692 CB ALA A 106 -18.965 -17.392 -15.458 1.00 1.90 C ATOM 1693 OXT ALA A 106 -20.019 -20.519 -15.503 1.00 3.05 O ATOM 0 H ALA A 106 -18.858 -17.376 -17.974 1.00 1.29 H new ATOM 0 HA ALA A 106 -17.910 -19.206 -15.904 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -19.178 -17.680 -14.428 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -18.063 -16.780 -15.485 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -19.803 -16.820 -15.855 1.00 1.90 H new