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 97 ASN : amide:sc= -0.0206 K(o=-0.081,f=-1.3!) USER MOD Set 1.2: A 101 GLN : amide:sc= -0.0604 K(o=-0.081,f=-1.5) USER MOD Set 2.1: A 84 ASN : amide:sc= 0.851 K(o=1.8,f=-1.3) USER MOD Set 2.2: A 86 TYR OH : rot 74:sc= 0.949 USER MOD Set 3.1: A 8 LYS NZ :NH3+ -107:sc= 1.7 (180deg=-0.353) USER MOD Set 3.2: A 9 HIS :FLIP no HD1:sc= 0.16 F(o=0.51!,f=2.5) USER MOD Set 3.3: A 22 SER OG : rot -17:sc= 0.623 USER MOD Set 4.1: A 6 ASN : amide:sc= 0.191 K(o=0.7,f=-2.2!) USER MOD Set 4.2: A 89 GLN : amide:sc= 0.51 K(o=0.7,f=-2.2) USER MOD Single : A 24 HIS : no HE2:sc= 1.11 K(o=1.1,f=-7.7!) USER MOD Single : A 25 ASN : amide:sc= 0.0515 K(o=0.052,f=-2.9!) USER MOD Single : A 27 TYR OH : rot 79:sc= 1.19 USER MOD Single : A 28 CYS SG : rot -69:sc= -0.471 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 32 ASN : amide:sc=-0.00727 K(o=-0.0073,f=-1.6) USER MOD Single : A 33 GLN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 35 MET CE :methyl 169:sc= -0.211 (180deg=-0.532) 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+ -153:sc= 1.14 (180deg=0.795) USER MOD Single : A 43 SER OG : rot 78:sc= 1.08 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.165 X(o=-0.17,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -40:sc= 1.27 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 160:sc= -0.545 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS :FLIP no HD1:sc= -0.21 F(o=-1.4,f=-0.21) USER MOD Single : A 77 LYS NZ :NH3+ 160:sc= 1.21 (180deg=0.482) USER MOD Single : A 81 SER OG : rot 92:sc= 1.26 USER MOD Single : A 91 LYS NZ :NH3+ -172:sc= 1.3 (180deg=1.07) USER MOD Single : A 96 MET CE :methyl -118:sc= -0.117 (180deg=-1.92) USER MOD Single : A 98 THR OG1 : rot 65:sc= 1.16 USER MOD Single : A 104 SER OG : rot 80:sc= 1.33 USER MOD Single : A 105 SER OG : rot 77:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -8.715 -11.145 -15.314 1.00 0.51 N ATOM 21 CA GLU A 2 -8.384 -10.211 -14.231 1.00 0.37 C ATOM 22 C GLU A 2 -7.928 -8.876 -14.832 1.00 0.34 C ATOM 23 O GLU A 2 -7.221 -8.848 -15.844 1.00 0.48 O ATOM 24 CB GLU A 2 -7.297 -10.843 -13.329 1.00 0.53 C ATOM 25 CG GLU A 2 -6.343 -9.835 -12.675 1.00 0.96 C ATOM 26 CD GLU A 2 -5.009 -9.796 -13.414 1.00 1.61 C ATOM 27 OE1 GLU A 2 -4.298 -10.822 -13.422 1.00 2.16 O ATOM 28 OE2 GLU A 2 -4.673 -8.742 -13.989 1.00 2.09 O ATOM 0 HA GLU A 2 -9.260 -10.014 -13.613 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -7.786 -11.422 -12.545 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -6.712 -11.543 -13.925 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -6.796 -8.843 -12.679 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -6.179 -10.106 -11.632 1.00 0.96 H new ATOM 35 N GLY A 3 -8.335 -7.776 -14.204 1.00 0.25 N ATOM 36 CA GLY A 3 -7.970 -6.434 -14.662 1.00 0.28 C ATOM 37 C GLY A 3 -8.971 -5.396 -14.161 1.00 0.22 C ATOM 38 O GLY A 3 -9.988 -5.735 -13.540 1.00 0.22 O ATOM 0 H GLY A 3 -8.922 -7.786 -13.370 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -6.971 -6.183 -14.306 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -7.934 -6.414 -15.751 1.00 0.28 H new ATOM 42 N PHE A 4 -8.676 -4.128 -14.432 1.00 0.24 N ATOM 43 CA PHE A 4 -9.536 -3.020 -14.023 1.00 0.21 C ATOM 44 C PHE A 4 -10.799 -2.964 -14.880 1.00 0.22 C ATOM 45 O PHE A 4 -10.792 -3.336 -16.057 1.00 0.27 O ATOM 46 CB PHE A 4 -8.784 -1.691 -14.146 1.00 0.23 C ATOM 47 CG PHE A 4 -7.981 -1.335 -12.919 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.606 -1.210 -11.687 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.618 -1.118 -13.025 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.872 -0.866 -10.567 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.883 -0.776 -11.903 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.508 -0.647 -10.675 1.00 0.41 C ATOM 0 H PHE A 4 -7.839 -3.840 -14.938 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.821 -3.184 -12.984 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.116 -1.740 -15.006 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.501 -0.894 -14.344 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.669 -1.382 -11.602 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.128 -1.215 -13.983 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -8.361 -0.768 -9.609 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.819 -0.609 -11.986 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.933 -0.376 -9.802 1.00 0.41 H new ATOM 62 N LEU A 5 -11.865 -2.473 -14.275 1.00 0.19 N ATOM 63 CA LEU A 5 -13.156 -2.322 -14.931 1.00 0.21 C ATOM 64 C LEU A 5 -13.890 -1.148 -14.294 1.00 0.20 C ATOM 65 O LEU A 5 -13.800 -0.936 -13.079 1.00 0.21 O ATOM 66 CB LEU A 5 -14.010 -3.596 -14.764 1.00 0.23 C ATOM 67 CG LEU A 5 -14.080 -4.437 -16.042 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.891 -5.713 -15.789 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.685 -3.639 -17.198 1.00 0.31 C ATOM 0 H LEU A 5 -11.861 -2.164 -13.303 1.00 0.19 H new ATOM 0 HA LEU A 5 -12.994 -2.149 -15.995 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.596 -4.202 -13.958 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -15.019 -3.314 -14.464 1.00 0.23 H new ATOM 0 HG LEU A 5 -13.064 -4.713 -16.324 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.935 -6.304 -16.704 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.414 -6.297 -15.002 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.902 -5.446 -15.481 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.721 -4.263 -18.091 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.695 -3.324 -16.934 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -14.071 -2.760 -17.394 1.00 0.31 H new ATOM 81 N ASN A 6 -14.652 -0.425 -15.098 1.00 0.22 N ATOM 82 CA ASN A 6 -15.457 0.691 -14.602 1.00 0.23 C ATOM 83 C ASN A 6 -16.807 0.105 -14.223 1.00 0.22 C ATOM 84 O ASN A 6 -17.501 -0.434 -15.079 1.00 0.26 O ATOM 85 CB ASN A 6 -15.584 1.797 -15.675 1.00 0.28 C ATOM 86 CG ASN A 6 -15.258 3.181 -15.095 1.00 0.72 C ATOM 87 OD1 ASN A 6 -14.527 3.302 -14.111 1.00 1.49 O ATOM 88 ND2 ASN A 6 -15.783 4.229 -15.714 1.00 1.24 N ATOM 0 H ASN A 6 -14.733 -0.588 -16.102 1.00 0.22 H new ATOM 0 HA ASN A 6 -14.994 1.168 -13.738 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -14.910 1.581 -16.504 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.596 1.799 -16.079 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -15.585 5.172 -15.378 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -16.384 4.093 -16.526 1.00 1.24 H new ATOM 95 N ARG A 7 -17.147 0.152 -12.936 1.00 0.23 N ATOM 96 CA ARG A 7 -18.395 -0.435 -12.441 1.00 0.24 C ATOM 97 C ARG A 7 -19.365 0.643 -11.972 1.00 0.25 C ATOM 98 O ARG A 7 -18.986 1.591 -11.287 1.00 0.32 O ATOM 99 CB ARG A 7 -18.092 -1.402 -11.285 1.00 0.28 C ATOM 100 CG ARG A 7 -19.311 -2.266 -10.940 1.00 0.34 C ATOM 101 CD ARG A 7 -18.950 -3.413 -9.987 1.00 0.54 C ATOM 102 NE ARG A 7 -18.823 -2.927 -8.607 1.00 0.95 N ATOM 103 CZ ARG A 7 -19.792 -3.080 -7.705 1.00 1.16 C ATOM 104 NH1 ARG A 7 -20.204 -4.292 -7.368 1.00 1.46 N ATOM 105 NH2 ARG A 7 -20.321 -2.014 -7.134 1.00 1.71 N ATOM 0 H ARG A 7 -16.575 0.591 -12.214 1.00 0.23 H new ATOM 0 HA ARG A 7 -18.864 -0.979 -13.261 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.255 -2.045 -11.557 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -17.786 -0.835 -10.406 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -20.080 -1.643 -10.483 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.736 -2.676 -11.856 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -19.717 -4.186 -10.035 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -18.013 -3.872 -10.303 1.00 0.54 H new ATOM 0 HE ARG A 7 -17.962 -2.455 -8.329 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -19.780 -5.113 -7.799 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -20.946 -4.405 -6.677 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -19.988 -1.083 -7.384 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -21.063 -2.121 -6.443 1.00 1.71 H new ATOM 119 N LYS A 8 -20.627 0.461 -12.334 1.00 0.27 N ATOM 120 CA LYS A 8 -21.700 1.365 -11.955 1.00 0.29 C ATOM 121 C LYS A 8 -22.939 0.538 -11.664 1.00 0.29 C ATOM 122 O LYS A 8 -23.539 -0.041 -12.571 1.00 0.38 O ATOM 123 CB LYS A 8 -21.964 2.379 -13.071 1.00 0.36 C ATOM 124 CG LYS A 8 -23.093 3.362 -12.723 1.00 0.37 C ATOM 125 CD LYS A 8 -24.249 3.297 -13.737 1.00 0.50 C ATOM 126 CE LYS A 8 -25.518 2.691 -13.129 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.086 3.558 -12.059 1.00 1.02 N ATOM 0 H LYS A 8 -20.936 -0.326 -12.904 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.421 1.928 -11.064 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.050 2.938 -13.272 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.220 1.847 -13.987 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.473 3.139 -11.726 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -22.694 4.376 -12.693 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.467 4.301 -14.102 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -23.942 2.704 -14.598 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.262 2.545 -13.912 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.290 1.708 -12.718 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -25.910 3.124 -11.131 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -25.634 4.494 -12.094 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -27.111 3.662 -12.204 1.00 1.02 H new ATOM 141 N HIS A 9 -23.309 0.472 -10.394 1.00 0.43 N ATOM 142 CA HIS A 9 -24.477 -0.293 -9.966 1.00 0.52 C ATOM 143 C HIS A 9 -25.748 0.555 -10.083 1.00 0.58 C ATOM 144 O HIS A 9 -25.771 1.722 -9.689 1.00 0.73 O ATOM 145 CB HIS A 9 -24.289 -0.826 -8.525 1.00 0.68 C ATOM 146 CG HIS A 9 -23.925 0.204 -7.486 1.00 0.88 C ATOM 147 ND1 HIS A 9 -23.567 1.512 -7.572 1.00 1.21 N flip ATOM 148 CD2 HIS A 9 -23.898 -0.078 -6.147 1.00 1.22 C flip ATOM 149 CE1 HIS A 9 -23.341 1.970 -6.287 1.00 1.69 C flip ATOM 150 NE2 HIS A 9 -23.552 0.970 -5.446 1.00 1.75 N flip ATOM 0 H HIS A 9 -22.815 0.942 -9.635 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.585 -1.154 -10.626 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -25.212 -1.316 -8.216 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -23.512 -1.590 -8.539 1.00 0.68 H new ATOM 0 HD2 HIS A 9 -24.133 -1.043 -5.723 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -23.043 2.972 -6.016 1.00 1.69 H new ATOM 0 HE2 HIS A 9 -23.461 1.010 -4.431 1.00 1.75 H new ATOM 158 N GLU A 10 -26.798 -0.049 -10.638 1.00 0.60 N ATOM 159 CA GLU A 10 -28.096 0.614 -10.824 1.00 0.73 C ATOM 160 C GLU A 10 -29.067 0.120 -9.747 1.00 0.83 C ATOM 161 O GLU A 10 -29.858 0.890 -9.200 1.00 1.00 O ATOM 162 CB GLU A 10 -28.638 0.299 -12.229 1.00 0.79 C ATOM 163 CG GLU A 10 -29.934 1.063 -12.535 1.00 1.28 C ATOM 164 CD GLU A 10 -29.645 2.464 -13.063 1.00 1.19 C ATOM 165 OE1 GLU A 10 -28.597 3.041 -12.715 1.00 1.52 O ATOM 166 OE2 GLU A 10 -30.477 2.993 -13.823 1.00 1.72 O ATOM 0 H GLU A 10 -26.777 -1.012 -10.973 1.00 0.60 H new ATOM 0 HA GLU A 10 -27.983 1.694 -10.732 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.884 0.554 -12.973 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -28.821 -0.772 -12.314 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -30.519 0.510 -13.270 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -30.539 1.131 -11.631 1.00 1.28 H new ATOM 173 N TRP A 11 -28.989 -1.175 -9.449 1.00 0.82 N ATOM 174 CA TRP A 11 -29.833 -1.806 -8.444 1.00 0.96 C ATOM 175 C TRP A 11 -29.109 -3.027 -7.866 1.00 0.94 C ATOM 176 O TRP A 11 -28.431 -3.769 -8.584 1.00 0.84 O ATOM 177 CB TRP A 11 -31.177 -2.200 -9.080 1.00 1.08 C ATOM 178 CG TRP A 11 -32.096 -2.962 -8.168 1.00 1.26 C ATOM 179 CD1 TRP A 11 -32.842 -2.459 -7.138 1.00 1.54 C ATOM 180 CD2 TRP A 11 -32.360 -4.376 -8.208 1.00 1.26 C ATOM 181 NE1 TRP A 11 -33.546 -3.481 -6.566 1.00 1.67 N ATOM 182 CE2 TRP A 11 -33.273 -4.661 -7.185 1.00 1.51 C ATOM 183 CE3 TRP A 11 -31.910 -5.425 -9.010 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -33.737 -5.945 -6.952 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -32.370 -6.710 -8.785 1.00 1.35 C ATOM 186 CH2 TRP A 11 -33.274 -6.969 -7.762 1.00 1.53 C ATOM 0 H TRP A 11 -28.336 -1.816 -9.900 1.00 0.82 H new ATOM 0 HA TRP A 11 -30.033 -1.111 -7.629 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -31.685 -1.296 -9.415 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -30.982 -2.804 -9.967 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -32.870 -1.425 -6.828 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -34.189 -3.374 -5.781 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -31.204 -5.234 -9.805 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -34.442 -6.143 -6.158 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -32.023 -7.519 -9.410 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -33.619 -7.979 -7.597 1.00 1.53 H new ATOM 353 N SER A 22 -22.972 6.576 -10.405 1.00 1.32 N ATOM 354 CA SER A 22 -22.099 5.862 -9.461 1.00 0.74 C ATOM 355 C SER A 22 -21.024 5.057 -10.205 1.00 0.68 C ATOM 356 O SER A 22 -20.913 3.843 -10.053 1.00 1.69 O ATOM 357 CB SER A 22 -22.936 4.937 -8.577 1.00 1.62 C ATOM 358 OG SER A 22 -24.109 4.488 -9.259 1.00 1.86 O ATOM 0 HA SER A 22 -21.595 6.598 -8.834 1.00 0.74 H new ATOM 0 HB2 SER A 22 -22.337 4.078 -8.276 1.00 1.62 H new ATOM 0 HB3 SER A 22 -23.221 5.462 -7.665 1.00 1.62 H new ATOM 0 HG SER A 22 -24.280 5.066 -10.031 1.00 1.86 H new ATOM 364 N TRP A 23 -20.241 5.759 -10.999 1.00 0.69 N ATOM 365 CA TRP A 23 -19.162 5.162 -11.794 1.00 0.41 C ATOM 366 C TRP A 23 -17.871 5.098 -10.978 1.00 0.40 C ATOM 367 O TRP A 23 -17.187 6.109 -10.802 1.00 0.55 O ATOM 368 CB TRP A 23 -18.949 5.979 -13.082 1.00 0.43 C ATOM 369 CG TRP A 23 -19.916 5.589 -14.165 1.00 0.40 C ATOM 370 CD1 TRP A 23 -21.000 6.294 -14.602 1.00 0.45 C ATOM 371 CD2 TRP A 23 -19.880 4.375 -14.937 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.630 5.569 -15.575 1.00 0.42 N ATOM 373 CE2 TRP A 23 -20.973 4.395 -15.809 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.026 3.273 -14.963 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.227 3.353 -16.693 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.270 2.233 -15.839 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.360 2.269 -16.698 1.00 0.31 C ATOM 0 H TRP A 23 -20.328 6.768 -11.119 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.443 4.145 -12.066 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.062 7.040 -12.861 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -17.929 5.835 -13.438 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.309 7.263 -14.239 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.477 5.865 -16.061 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.175 3.233 -14.299 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.077 3.386 -17.359 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.605 1.382 -15.856 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.535 1.447 -17.376 1.00 0.31 H new ATOM 388 N HIS A 24 -17.545 3.901 -10.490 1.00 0.37 N ATOM 389 CA HIS A 24 -16.337 3.665 -9.687 1.00 0.45 C ATOM 390 C HIS A 24 -15.460 2.600 -10.351 1.00 0.36 C ATOM 391 O HIS A 24 -15.948 1.543 -10.761 1.00 0.34 O ATOM 392 CB HIS A 24 -16.702 3.223 -8.249 1.00 0.61 C ATOM 393 CG HIS A 24 -17.770 2.164 -8.167 1.00 1.18 C ATOM 394 ND1 HIS A 24 -19.111 2.423 -8.314 1.00 2.08 N ATOM 395 CD2 HIS A 24 -17.697 0.828 -7.948 1.00 1.66 C ATOM 396 CE1 HIS A 24 -19.819 1.329 -8.194 1.00 2.98 C ATOM 397 NE2 HIS A 24 -18.986 0.325 -7.967 1.00 2.74 N ATOM 0 H HIS A 24 -18.109 3.064 -10.638 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.783 4.602 -9.629 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -15.802 2.851 -7.759 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -17.033 4.097 -7.688 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -19.504 3.347 -8.493 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -16.794 0.258 -7.787 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -20.894 1.258 -8.267 1.00 2.98 H new ATOM 405 N ASN A 25 -14.161 2.877 -10.437 1.00 0.37 N ATOM 406 CA ASN A 25 -13.200 1.943 -11.026 1.00 0.35 C ATOM 407 C ASN A 25 -12.856 0.857 -10.000 1.00 0.34 C ATOM 408 O ASN A 25 -12.584 1.159 -8.835 1.00 0.55 O ATOM 409 CB ASN A 25 -11.931 2.691 -11.495 1.00 0.44 C ATOM 410 CG ASN A 25 -11.124 3.273 -10.320 1.00 0.99 C ATOM 411 OD1 ASN A 25 -11.647 4.034 -9.507 1.00 1.71 O ATOM 412 ND2 ASN A 25 -9.850 2.922 -10.238 1.00 1.49 N ATOM 0 H ASN A 25 -13.746 3.747 -10.104 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.644 1.471 -11.903 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -11.299 2.008 -12.063 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -12.217 3.497 -12.171 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -9.269 3.285 -9.483 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -9.450 2.289 -10.930 1.00 1.49 H new ATOM 419 N VAL A 26 -12.894 -0.402 -10.422 1.00 0.22 N ATOM 420 CA VAL A 26 -12.606 -1.520 -9.527 1.00 0.21 C ATOM 421 C VAL A 26 -11.840 -2.611 -10.274 1.00 0.18 C ATOM 422 O VAL A 26 -11.931 -2.726 -11.499 1.00 0.23 O ATOM 423 CB VAL A 26 -13.930 -2.049 -8.937 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.599 -3.079 -9.854 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.716 -2.629 -7.538 1.00 0.31 C ATOM 0 H VAL A 26 -13.121 -0.675 -11.378 1.00 0.22 H new ATOM 0 HA VAL A 26 -11.973 -1.187 -8.705 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.605 -1.197 -8.858 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.527 -3.423 -9.398 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -14.817 -2.620 -10.819 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -13.929 -3.927 -9.998 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.665 -2.994 -7.146 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.004 -3.453 -7.591 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.326 -1.854 -6.879 1.00 0.31 H new ATOM 435 N TYR A 27 -11.087 -3.406 -9.524 1.00 0.16 N ATOM 436 CA TYR A 27 -10.285 -4.503 -10.075 1.00 0.16 C ATOM 437 C TYR A 27 -11.072 -5.803 -9.955 1.00 0.19 C ATOM 438 O TYR A 27 -11.180 -6.376 -8.871 1.00 0.34 O ATOM 439 CB TYR A 27 -8.957 -4.590 -9.311 1.00 0.17 C ATOM 440 CG TYR A 27 -7.824 -5.213 -10.098 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.634 -6.586 -10.083 1.00 0.26 C ATOM 442 CD2 TYR A 27 -6.952 -4.408 -10.811 1.00 0.28 C ATOM 443 CE1 TYR A 27 -6.577 -7.150 -10.783 1.00 0.30 C ATOM 444 CE2 TYR A 27 -5.893 -4.968 -11.501 1.00 0.33 C ATOM 445 CZ TYR A 27 -5.709 -6.333 -11.488 1.00 0.29 C ATOM 446 OH TYR A 27 -4.639 -6.881 -12.161 1.00 0.37 O ATOM 0 H TYR A 27 -11.012 -3.311 -8.511 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.066 -4.325 -11.128 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.662 -3.587 -9.004 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.113 -5.169 -8.401 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -8.310 -7.218 -9.526 1.00 0.26 H new ATOM 0 HD2 TYR A 27 -7.100 -3.338 -10.828 1.00 0.28 H new ATOM 0 HE1 TYR A 27 -6.432 -8.220 -10.778 1.00 0.30 H new ATOM 0 HE2 TYR A 27 -5.211 -4.336 -12.050 1.00 0.33 H new ATOM 0 HH TYR A 27 -4.947 -7.265 -13.008 1.00 0.37 H new ATOM 456 N CYS A 28 -11.638 -6.250 -11.069 1.00 0.16 N ATOM 457 CA CYS A 28 -12.439 -7.473 -11.098 1.00 0.19 C ATOM 458 C CYS A 28 -11.573 -8.679 -11.457 1.00 0.19 C ATOM 459 O CYS A 28 -10.752 -8.617 -12.374 1.00 0.23 O ATOM 460 CB CYS A 28 -13.580 -7.325 -12.111 1.00 0.23 C ATOM 461 SG CYS A 28 -14.503 -5.788 -11.911 1.00 0.34 S ATOM 0 H CYS A 28 -11.558 -5.782 -11.972 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.859 -7.636 -10.105 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -13.171 -7.368 -13.120 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.262 -8.169 -12.008 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.173 -5.826 -10.798 1.00 0.34 H new ATOM 467 N VAL A 29 -11.772 -9.773 -10.730 1.00 0.21 N ATOM 468 CA VAL A 29 -11.032 -11.019 -10.951 1.00 0.24 C ATOM 469 C VAL A 29 -12.026 -12.179 -10.993 1.00 0.26 C ATOM 470 O VAL A 29 -12.680 -12.474 -9.993 1.00 0.38 O ATOM 471 CB VAL A 29 -9.999 -11.235 -9.830 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.155 -12.486 -10.093 1.00 0.37 C ATOM 473 CG2 VAL A 29 -9.093 -10.010 -9.684 1.00 0.33 C ATOM 0 H VAL A 29 -12.450 -9.825 -9.970 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.494 -10.964 -11.897 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.546 -11.379 -8.898 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.434 -12.615 -9.286 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -9.805 -13.360 -10.142 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.625 -12.375 -11.039 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.371 -10.185 -8.886 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.564 -9.835 -10.621 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.698 -9.137 -9.441 1.00 0.33 H new ATOM 483 N ILE A 30 -12.149 -12.822 -12.159 1.00 0.28 N ATOM 484 CA ILE A 30 -13.078 -13.948 -12.336 1.00 0.32 C ATOM 485 C ILE A 30 -12.439 -15.249 -11.836 1.00 0.35 C ATOM 486 O ILE A 30 -11.314 -15.587 -12.213 1.00 0.44 O ATOM 487 CB ILE A 30 -13.481 -14.076 -13.815 1.00 0.40 C ATOM 488 CG1 ILE A 30 -14.193 -12.803 -14.283 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.384 -15.296 -14.043 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.407 -12.799 -15.795 1.00 0.57 C ATOM 0 H ILE A 30 -11.617 -12.583 -12.996 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.976 -13.759 -11.748 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.571 -14.213 -14.399 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -15.156 -12.718 -13.779 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -13.605 -11.931 -13.996 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.651 -15.359 -15.098 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -13.853 -16.201 -13.749 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.289 -15.195 -13.445 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.915 -11.880 -16.088 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -13.442 -12.857 -16.299 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -15.017 -13.657 -16.078 1.00 0.57 H new ATOM 502 N ASN A 31 -13.173 -15.967 -10.991 1.00 0.46 N ATOM 503 CA ASN A 31 -12.725 -17.236 -10.414 1.00 0.58 C ATOM 504 C ASN A 31 -13.856 -18.270 -10.509 1.00 0.71 C ATOM 505 O ASN A 31 -14.810 -18.227 -9.734 1.00 1.20 O ATOM 506 CB ASN A 31 -12.308 -17.010 -8.949 1.00 0.73 C ATOM 507 CG ASN A 31 -11.734 -18.283 -8.318 1.00 0.93 C ATOM 508 OD1 ASN A 31 -10.867 -18.943 -8.892 1.00 1.27 O ATOM 509 ND2 ASN A 31 -12.218 -18.622 -7.133 1.00 1.47 N ATOM 0 H ASN A 31 -14.104 -15.684 -10.683 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.865 -17.615 -10.966 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -11.565 -16.214 -8.901 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -13.171 -16.676 -8.373 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -11.873 -19.458 -6.661 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -12.936 -18.047 -6.692 1.00 1.47 H new ATOM 516 N ASN A 32 -13.728 -19.189 -11.474 1.00 0.85 N ATOM 517 CA ASN A 32 -14.702 -20.276 -11.737 1.00 1.00 C ATOM 518 C ASN A 32 -16.173 -19.830 -11.593 1.00 1.00 C ATOM 519 O ASN A 32 -16.832 -20.147 -10.601 1.00 1.97 O ATOM 520 CB ASN A 32 -14.415 -21.487 -10.826 1.00 1.24 C ATOM 521 CG ASN A 32 -15.182 -22.727 -11.309 1.00 1.73 C ATOM 522 OD1 ASN A 32 -15.760 -22.732 -12.400 1.00 2.06 O ATOM 523 ND2 ASN A 32 -15.184 -23.779 -10.507 1.00 2.52 N ATOM 0 H ASN A 32 -12.932 -19.205 -12.111 1.00 0.85 H new ATOM 0 HA ASN A 32 -14.569 -20.563 -12.780 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -13.345 -21.696 -10.818 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -14.702 -21.253 -9.801 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -15.674 -24.630 -10.783 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -14.696 -23.739 -9.612 1.00 2.52 H new ATOM 530 N GLN A 33 -16.668 -19.117 -12.606 1.00 0.75 N ATOM 531 CA GLN A 33 -18.060 -18.622 -12.669 1.00 0.67 C ATOM 532 C GLN A 33 -18.441 -17.683 -11.501 1.00 0.56 C ATOM 533 O GLN A 33 -19.638 -17.398 -11.291 1.00 0.71 O ATOM 534 CB GLN A 33 -19.046 -19.805 -12.834 1.00 0.83 C ATOM 535 CG GLN A 33 -19.750 -20.236 -11.533 1.00 1.46 C ATOM 536 CD GLN A 33 -20.084 -21.729 -11.576 1.00 1.85 C ATOM 537 OE1 GLN A 33 -19.890 -22.447 -10.596 1.00 2.11 O ATOM 538 NE2 GLN A 33 -20.590 -22.195 -12.708 1.00 2.67 N ATOM 0 H GLN A 33 -16.112 -18.859 -13.421 1.00 0.75 H new ATOM 0 HA GLN A 33 -18.135 -17.992 -13.555 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -19.803 -19.531 -13.568 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -18.504 -20.659 -13.239 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -19.108 -20.025 -10.678 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -20.663 -19.656 -11.397 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -20.736 -21.567 -13.498 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -20.834 -23.182 -12.789 1.00 2.67 H new ATOM 547 N GLU A 34 -17.423 -17.174 -10.780 1.00 0.53 N ATOM 548 CA GLU A 34 -17.624 -16.226 -9.679 1.00 0.49 C ATOM 549 C GLU A 34 -16.609 -15.099 -9.849 1.00 0.45 C ATOM 550 O GLU A 34 -15.708 -15.205 -10.681 1.00 0.64 O ATOM 551 CB GLU A 34 -17.457 -16.920 -8.319 1.00 0.61 C ATOM 552 CG GLU A 34 -18.493 -18.037 -8.135 1.00 1.25 C ATOM 553 CD GLU A 34 -18.775 -18.268 -6.657 1.00 1.42 C ATOM 554 OE1 GLU A 34 -19.686 -17.610 -6.112 1.00 1.79 O ATOM 555 OE2 GLU A 34 -18.087 -19.104 -6.040 1.00 1.89 O ATOM 0 H GLU A 34 -16.445 -17.410 -10.947 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.638 -15.826 -9.705 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -16.452 -17.336 -8.241 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -17.562 -16.188 -7.519 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -19.417 -17.772 -8.650 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -18.127 -18.958 -8.589 1.00 1.25 H new ATOM 562 N MET A 35 -16.744 -14.016 -9.098 1.00 0.36 N ATOM 563 CA MET A 35 -15.812 -12.896 -9.232 1.00 0.35 C ATOM 564 C MET A 35 -15.599 -12.181 -7.903 1.00 0.32 C ATOM 565 O MET A 35 -16.506 -12.097 -7.070 1.00 0.42 O ATOM 566 CB MET A 35 -16.316 -11.904 -10.293 1.00 0.41 C ATOM 567 CG MET A 35 -17.674 -11.307 -9.928 1.00 0.43 C ATOM 568 SD MET A 35 -18.350 -10.287 -11.249 1.00 0.60 S ATOM 569 CE MET A 35 -19.938 -9.828 -10.542 1.00 1.25 C ATOM 0 H MET A 35 -17.476 -13.885 -8.399 1.00 0.36 H new ATOM 0 HA MET A 35 -14.852 -13.302 -9.550 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.588 -11.101 -10.412 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.391 -12.411 -11.255 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.373 -12.112 -9.700 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.573 -10.707 -9.024 1.00 0.43 H new ATOM 0 HE1 MET A 35 -20.393 -9.044 -11.147 1.00 1.25 H new ATOM 0 HE2 MET A 35 -20.594 -10.699 -10.524 1.00 1.25 H new ATOM 0 HE3 MET A 35 -19.792 -9.463 -9.525 1.00 1.25 H new ATOM 579 N GLY A 36 -14.391 -11.654 -7.733 1.00 0.27 N ATOM 580 CA GLY A 36 -14.000 -10.913 -6.538 1.00 0.29 C ATOM 581 C GLY A 36 -13.632 -9.485 -6.926 1.00 0.25 C ATOM 582 O GLY A 36 -12.847 -9.272 -7.860 1.00 0.28 O ATOM 0 H GLY A 36 -13.648 -11.730 -8.428 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.817 -10.907 -5.817 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.153 -11.400 -6.055 1.00 0.29 H new ATOM 586 N PHE A 37 -14.203 -8.510 -6.220 1.00 0.24 N ATOM 587 CA PHE A 37 -13.950 -7.092 -6.485 1.00 0.25 C ATOM 588 C PHE A 37 -12.838 -6.575 -5.570 1.00 0.25 C ATOM 589 O PHE A 37 -13.037 -6.416 -4.366 1.00 0.40 O ATOM 590 CB PHE A 37 -15.232 -6.275 -6.266 1.00 0.30 C ATOM 591 CG PHE A 37 -16.311 -6.548 -7.297 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.036 -6.405 -8.649 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.579 -6.949 -6.894 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.017 -6.661 -9.592 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.560 -7.203 -7.840 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.291 -7.036 -9.179 1.00 0.33 C ATOM 0 H PHE A 37 -14.852 -8.678 -5.451 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.634 -6.981 -7.522 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.626 -6.493 -5.273 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -14.984 -5.214 -6.285 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.052 -6.093 -8.968 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.800 -7.063 -5.843 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -16.794 -6.570 -10.645 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.539 -7.533 -7.525 1.00 0.45 H new ATOM 0 HZ PHE A 37 -19.070 -7.196 -9.910 1.00 0.33 H new ATOM 606 N TYR A 38 -11.676 -6.306 -6.160 1.00 0.20 N ATOM 607 CA TYR A 38 -10.509 -5.793 -5.432 1.00 0.21 C ATOM 608 C TYR A 38 -10.292 -4.315 -5.775 1.00 0.21 C ATOM 609 O TYR A 38 -10.851 -3.807 -6.753 1.00 0.23 O ATOM 610 CB TYR A 38 -9.266 -6.609 -5.799 1.00 0.23 C ATOM 611 CG TYR A 38 -9.339 -8.043 -5.322 1.00 0.27 C ATOM 612 CD1 TYR A 38 -8.862 -8.379 -4.067 1.00 0.42 C ATOM 613 CD2 TYR A 38 -9.879 -9.022 -6.137 1.00 0.27 C ATOM 614 CE1 TYR A 38 -8.923 -9.692 -3.630 1.00 0.50 C ATOM 615 CE2 TYR A 38 -9.942 -10.333 -5.699 1.00 0.35 C ATOM 616 CZ TYR A 38 -9.463 -10.663 -4.446 1.00 0.44 C ATOM 617 OH TYR A 38 -9.523 -11.969 -4.012 1.00 0.55 O ATOM 0 H TYR A 38 -11.513 -6.436 -7.158 1.00 0.20 H new ATOM 0 HA TYR A 38 -10.686 -5.885 -4.360 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.137 -6.598 -6.881 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.385 -6.133 -5.368 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -8.442 -7.617 -3.428 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -10.252 -8.762 -7.117 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -8.548 -9.955 -2.652 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.365 -11.097 -6.335 1.00 0.35 H new ATOM 0 HH TYR A 38 -9.933 -12.526 -4.707 1.00 0.55 H new ATOM 627 N LYS A 39 -9.488 -3.618 -4.969 1.00 0.25 N ATOM 628 CA LYS A 39 -9.218 -2.186 -5.190 1.00 0.29 C ATOM 629 C LYS A 39 -8.268 -1.968 -6.375 1.00 0.28 C ATOM 630 O LYS A 39 -8.411 -0.996 -7.119 1.00 0.33 O ATOM 631 CB LYS A 39 -8.632 -1.552 -3.917 1.00 0.36 C ATOM 632 CG LYS A 39 -8.846 -0.034 -3.902 1.00 0.70 C ATOM 633 CD LYS A 39 -8.843 0.531 -2.474 1.00 1.15 C ATOM 634 CE LYS A 39 -7.740 1.574 -2.273 1.00 1.82 C ATOM 635 NZ LYS A 39 -6.380 0.963 -2.320 1.00 2.51 N ATOM 0 H LYS A 39 -9.012 -4.015 -4.159 1.00 0.25 H new ATOM 0 HA LYS A 39 -10.165 -1.702 -5.428 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -9.100 -1.996 -3.038 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.566 -1.772 -3.856 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -8.062 0.449 -4.485 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -9.794 0.204 -4.384 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -9.812 0.982 -2.260 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -8.706 -0.283 -1.762 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -7.820 2.340 -3.044 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -7.881 2.071 -1.313 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -5.662 1.702 -2.180 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -6.294 0.250 -1.568 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -6.235 0.510 -3.245 1.00 2.51 H new ATOM 649 N ASP A 40 -7.299 -2.866 -6.541 1.00 0.28 N ATOM 650 CA ASP A 40 -6.315 -2.773 -7.633 1.00 0.32 C ATOM 651 C ASP A 40 -5.532 -4.085 -7.780 1.00 0.33 C ATOM 652 O ASP A 40 -5.884 -5.106 -7.179 1.00 0.32 O ATOM 653 CB ASP A 40 -5.345 -1.596 -7.389 1.00 0.38 C ATOM 654 CG ASP A 40 -4.336 -1.901 -6.279 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.770 -2.146 -5.141 1.00 0.84 O ATOM 656 OD2 ASP A 40 -3.118 -1.871 -6.542 1.00 0.94 O ATOM 0 H ASP A 40 -7.169 -3.674 -5.932 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.858 -2.593 -8.561 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.811 -1.370 -8.312 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.916 -0.706 -7.125 1.00 0.38 H new ATOM 661 N ALA A 41 -4.454 -4.039 -8.571 1.00 0.40 N ATOM 662 CA ALA A 41 -3.588 -5.201 -8.804 1.00 0.45 C ATOM 663 C ALA A 41 -2.865 -5.612 -7.517 1.00 0.45 C ATOM 664 O ALA A 41 -2.722 -6.801 -7.235 1.00 0.47 O ATOM 665 CB ALA A 41 -2.567 -4.882 -9.900 1.00 0.55 C ATOM 0 H ALA A 41 -4.158 -3.198 -9.066 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.213 -6.034 -9.126 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -1.929 -5.750 -10.066 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.090 -4.634 -10.824 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -1.955 -4.035 -9.591 1.00 0.55 H new ATOM 671 N LYS A 42 -2.431 -4.624 -6.724 1.00 0.46 N ATOM 672 CA LYS A 42 -1.742 -4.897 -5.453 1.00 0.48 C ATOM 673 C LYS A 42 -2.698 -5.587 -4.476 1.00 0.43 C ATOM 674 O LYS A 42 -2.318 -6.523 -3.771 1.00 0.47 O ATOM 675 CB LYS A 42 -1.211 -3.594 -4.840 1.00 0.54 C ATOM 676 CG LYS A 42 -0.233 -2.887 -5.785 1.00 0.77 C ATOM 677 CD LYS A 42 0.499 -1.730 -5.086 1.00 1.12 C ATOM 678 CE LYS A 42 -0.468 -0.659 -4.573 1.00 1.96 C ATOM 679 NZ LYS A 42 -1.381 -0.173 -5.644 1.00 2.76 N ATOM 0 H LYS A 42 -2.543 -3.633 -6.937 1.00 0.46 H new ATOM 0 HA LYS A 42 -0.897 -5.557 -5.649 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -2.046 -2.930 -4.615 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.713 -3.812 -3.895 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.496 -3.606 -6.158 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.775 -2.505 -6.650 1.00 0.77 H new ATOM 0 HD2 LYS A 42 1.080 -2.122 -4.251 1.00 1.12 H new ATOM 0 HD3 LYS A 42 1.205 -1.276 -5.781 1.00 1.12 H new ATOM 0 HE2 LYS A 42 -1.057 -1.066 -3.751 1.00 1.96 H new ATOM 0 HE3 LYS A 42 0.100 0.181 -4.172 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 -1.678 0.801 -5.431 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 -0.885 -0.192 -6.558 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 -2.218 -0.788 -5.692 1.00 2.76 H new ATOM 693 N SER A 43 -3.950 -5.126 -4.458 1.00 0.38 N ATOM 694 CA SER A 43 -4.988 -5.694 -3.593 1.00 0.38 C ATOM 695 C SER A 43 -5.359 -7.118 -4.038 1.00 0.39 C ATOM 696 O SER A 43 -5.599 -7.993 -3.206 1.00 0.45 O ATOM 697 CB SER A 43 -6.225 -4.794 -3.612 1.00 0.37 C ATOM 698 OG SER A 43 -5.883 -3.470 -3.220 1.00 1.04 O ATOM 0 H SER A 43 -4.273 -4.352 -5.039 1.00 0.38 H new ATOM 0 HA SER A 43 -4.599 -5.750 -2.576 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.659 -4.783 -4.612 1.00 0.37 H new ATOM 0 HB3 SER A 43 -6.984 -5.194 -2.940 1.00 0.37 H new ATOM 0 HG SER A 43 -5.449 -3.009 -3.968 1.00 1.04 H new ATOM 704 N ALA A 44 -5.400 -7.345 -5.354 1.00 0.37 N ATOM 705 CA ALA A 44 -5.746 -8.660 -5.915 1.00 0.43 C ATOM 706 C ALA A 44 -4.593 -9.661 -5.757 1.00 0.51 C ATOM 707 O ALA A 44 -4.812 -10.817 -5.388 1.00 0.59 O ATOM 708 CB ALA A 44 -6.104 -8.511 -7.397 1.00 0.43 C ATOM 0 H ALA A 44 -5.197 -6.633 -6.056 1.00 0.37 H new ATOM 0 HA ALA A 44 -6.604 -9.046 -5.364 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -6.360 -9.487 -7.809 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -6.956 -7.839 -7.500 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.251 -8.101 -7.938 1.00 0.43 H new ATOM 714 N ALA A 45 -3.371 -9.215 -6.051 1.00 0.54 N ATOM 715 CA ALA A 45 -2.177 -10.071 -5.964 1.00 0.64 C ATOM 716 C ALA A 45 -1.811 -10.405 -4.512 1.00 0.68 C ATOM 717 O ALA A 45 -1.632 -11.574 -4.165 1.00 0.76 O ATOM 718 CB ALA A 45 -0.994 -9.382 -6.652 1.00 0.69 C ATOM 0 H ALA A 45 -3.177 -8.260 -6.354 1.00 0.54 H new ATOM 0 HA ALA A 45 -2.407 -11.009 -6.469 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -0.112 -10.020 -6.585 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -1.235 -9.205 -7.700 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -0.792 -8.430 -6.161 1.00 0.69 H new ATOM 724 N SER A 46 -1.681 -9.375 -3.673 1.00 0.65 N ATOM 725 CA SER A 46 -1.310 -9.551 -2.260 1.00 0.73 C ATOM 726 C SER A 46 -2.437 -10.209 -1.443 1.00 0.74 C ATOM 727 O SER A 46 -2.173 -10.863 -0.434 1.00 0.84 O ATOM 728 CB SER A 46 -0.936 -8.192 -1.653 1.00 0.75 C ATOM 729 OG SER A 46 0.004 -8.346 -0.598 1.00 1.21 O ATOM 0 H SER A 46 -1.827 -8.403 -3.946 1.00 0.65 H new ATOM 0 HA SER A 46 -0.451 -10.221 -2.220 1.00 0.73 H new ATOM 0 HB2 SER A 46 -0.518 -7.547 -2.426 1.00 0.75 H new ATOM 0 HB3 SER A 46 -1.832 -7.699 -1.277 1.00 0.75 H new ATOM 0 HG SER A 46 0.228 -7.466 -0.228 1.00 1.21 H new ATOM 735 N GLY A 47 -3.685 -10.036 -1.880 1.00 0.70 N ATOM 736 CA GLY A 47 -4.841 -10.617 -1.186 1.00 0.74 C ATOM 737 C GLY A 47 -5.375 -9.661 -0.122 1.00 0.75 C ATOM 738 O GLY A 47 -5.384 -9.979 1.070 1.00 0.88 O ATOM 0 H GLY A 47 -3.924 -9.498 -2.713 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -5.628 -10.842 -1.906 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -4.555 -11.561 -0.722 1.00 0.74 H new ATOM 742 N ILE A 48 -5.823 -8.491 -0.567 1.00 0.67 N ATOM 743 CA ILE A 48 -6.381 -7.459 0.309 1.00 0.72 C ATOM 744 C ILE A 48 -7.859 -7.281 -0.046 1.00 0.75 C ATOM 745 O ILE A 48 -8.186 -6.949 -1.185 1.00 0.75 O ATOM 746 CB ILE A 48 -5.623 -6.130 0.125 1.00 0.71 C ATOM 747 CG1 ILE A 48 -4.106 -6.371 0.035 1.00 0.78 C ATOM 748 CG2 ILE A 48 -5.930 -5.164 1.270 1.00 0.82 C ATOM 749 CD1 ILE A 48 -3.333 -5.057 -0.097 1.00 0.97 C ATOM 0 H ILE A 48 -5.810 -8.228 -1.552 1.00 0.67 H new ATOM 0 HA ILE A 48 -6.279 -7.760 1.352 1.00 0.72 H new ATOM 0 HB ILE A 48 -5.962 -5.683 -0.810 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -3.769 -6.904 0.924 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -3.889 -7.009 -0.822 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -5.383 -4.233 1.117 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -7.000 -4.957 1.294 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -5.626 -5.612 2.216 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -2.265 -5.268 -0.158 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -3.652 -4.536 -1.000 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -3.530 -4.430 0.773 1.00 0.97 H new ATOM 761 N PRO A 49 -8.776 -7.517 0.910 1.00 0.84 N ATOM 762 CA PRO A 49 -10.230 -7.391 0.669 1.00 0.93 C ATOM 763 C PRO A 49 -10.695 -5.938 0.513 1.00 0.93 C ATOM 764 O PRO A 49 -10.136 -5.022 1.120 1.00 1.08 O ATOM 765 CB PRO A 49 -10.864 -8.048 1.896 1.00 1.07 C ATOM 766 CG PRO A 49 -9.836 -7.944 2.978 1.00 1.06 C ATOM 767 CD PRO A 49 -8.485 -7.924 2.301 1.00 0.92 C ATOM 0 HA PRO A 49 -10.519 -7.862 -0.271 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -11.786 -7.541 2.180 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -11.120 -9.088 1.696 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -9.986 -7.039 3.567 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -9.911 -8.787 3.664 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -7.808 -7.222 2.787 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -8.008 -8.904 2.337 1.00 0.92 H new ATOM 775 N TYR A 50 -11.735 -5.746 -0.296 1.00 0.87 N ATOM 776 CA TYR A 50 -12.322 -4.427 -0.548 1.00 0.91 C ATOM 777 C TYR A 50 -13.506 -4.223 0.404 1.00 1.12 C ATOM 778 O TYR A 50 -14.665 -4.354 0.010 1.00 1.91 O ATOM 779 CB TYR A 50 -12.770 -4.348 -2.018 1.00 0.92 C ATOM 780 CG TYR A 50 -13.121 -2.950 -2.494 1.00 0.94 C ATOM 781 CD1 TYR A 50 -12.223 -1.908 -2.324 1.00 1.02 C ATOM 782 CD2 TYR A 50 -14.335 -2.716 -3.122 1.00 1.13 C ATOM 783 CE1 TYR A 50 -12.539 -0.641 -2.783 1.00 1.13 C ATOM 784 CE2 TYR A 50 -14.648 -1.444 -3.577 1.00 1.24 C ATOM 785 CZ TYR A 50 -13.746 -0.414 -3.406 1.00 1.17 C ATOM 786 OH TYR A 50 -14.050 0.847 -3.866 1.00 1.34 O ATOM 0 H TYR A 50 -12.198 -6.503 -0.799 1.00 0.87 H new ATOM 0 HA TYR A 50 -11.591 -3.638 -0.369 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -11.974 -4.744 -2.649 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -13.637 -4.994 -2.156 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -11.277 -2.085 -1.834 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -15.037 -3.525 -3.257 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -11.838 0.170 -2.652 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -15.595 -1.260 -4.064 1.00 1.24 H new ATOM 0 HH TYR A 50 -14.938 0.839 -4.281 1.00 1.34 H new ATOM 796 N HIS A 51 -13.187 -3.939 1.673 1.00 1.28 N ATOM 797 CA HIS A 51 -14.178 -3.741 2.746 1.00 1.53 C ATOM 798 C HIS A 51 -14.784 -5.094 3.141 1.00 1.61 C ATOM 799 O HIS A 51 -14.101 -5.911 3.754 1.00 2.07 O ATOM 800 CB HIS A 51 -15.270 -2.713 2.361 1.00 2.01 C ATOM 801 CG HIS A 51 -14.737 -1.324 2.142 1.00 2.54 C ATOM 802 ND1 HIS A 51 -15.517 -0.203 2.243 1.00 3.19 N ATOM 803 CD2 HIS A 51 -13.499 -0.856 1.826 1.00 2.89 C ATOM 804 CE1 HIS A 51 -14.821 0.882 2.008 1.00 3.87 C ATOM 805 NE2 HIS A 51 -13.575 0.521 1.748 1.00 3.74 N ATOM 0 H HIS A 51 -12.223 -3.838 1.990 1.00 1.28 H new ATOM 0 HA HIS A 51 -13.664 -3.318 3.609 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -15.770 -3.049 1.452 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -16.024 -2.684 3.148 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -12.615 -1.455 1.665 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -15.198 1.894 2.024 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -12.804 1.151 1.528 1.00 3.74 H new ATOM 813 N SER A 52 -16.046 -5.337 2.784 1.00 1.60 N ATOM 814 CA SER A 52 -16.714 -6.607 3.106 1.00 1.96 C ATOM 815 C SER A 52 -17.346 -7.216 1.849 1.00 1.85 C ATOM 816 O SER A 52 -17.248 -8.426 1.620 1.00 2.45 O ATOM 817 CB SER A 52 -17.768 -6.385 4.194 1.00 2.44 C ATOM 818 OG SER A 52 -17.147 -6.016 5.422 1.00 2.65 O ATOM 0 H SER A 52 -16.629 -4.674 2.272 1.00 1.60 H new ATOM 0 HA SER A 52 -15.971 -7.310 3.483 1.00 1.96 H new ATOM 0 HB2 SER A 52 -18.463 -5.605 3.882 1.00 2.44 H new ATOM 0 HB3 SER A 52 -18.352 -7.295 4.334 1.00 2.44 H new ATOM 0 HG SER A 52 -17.834 -5.876 6.107 1.00 2.65 H new ATOM 824 N GLU A 53 -17.988 -6.376 1.031 1.00 1.45 N ATOM 825 CA GLU A 53 -18.628 -6.822 -0.212 1.00 1.37 C ATOM 826 C GLU A 53 -17.567 -7.061 -1.294 1.00 1.08 C ATOM 827 O GLU A 53 -17.410 -6.252 -2.211 1.00 1.24 O ATOM 828 CB GLU A 53 -19.634 -5.764 -0.701 1.00 1.73 C ATOM 829 CG GLU A 53 -20.675 -5.403 0.367 1.00 2.39 C ATOM 830 CD GLU A 53 -20.254 -4.157 1.146 1.00 2.88 C ATOM 831 OE1 GLU A 53 -19.251 -4.219 1.884 1.00 3.46 O ATOM 832 OE2 GLU A 53 -20.931 -3.117 1.026 1.00 3.23 O ATOM 0 H GLU A 53 -18.079 -5.376 1.209 1.00 1.45 H new ATOM 0 HA GLU A 53 -19.157 -7.754 -0.016 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -19.095 -4.864 -0.996 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -20.144 -6.136 -1.590 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -21.642 -5.231 -0.106 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -20.801 -6.240 1.054 1.00 2.39 H new ATOM 839 N VAL A 54 -16.829 -8.164 -1.164 1.00 0.84 N ATOM 840 CA VAL A 54 -15.760 -8.517 -2.108 1.00 0.66 C ATOM 841 C VAL A 54 -16.183 -9.657 -3.053 1.00 0.55 C ATOM 842 O VAL A 54 -15.962 -9.556 -4.257 1.00 0.49 O ATOM 843 CB VAL A 54 -14.471 -8.907 -1.347 1.00 0.81 C ATOM 844 CG1 VAL A 54 -13.250 -8.833 -2.274 1.00 0.77 C ATOM 845 CG2 VAL A 54 -14.262 -8.015 -0.119 1.00 1.34 C ATOM 0 H VAL A 54 -16.952 -8.837 -0.407 1.00 0.84 H new ATOM 0 HA VAL A 54 -15.562 -7.636 -2.718 1.00 0.66 H new ATOM 0 HB VAL A 54 -14.586 -9.935 -1.004 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -12.354 -9.111 -1.719 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -13.386 -9.519 -3.110 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -13.141 -7.817 -2.652 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -13.348 -8.313 0.396 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -14.178 -6.975 -0.435 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -15.110 -8.122 0.557 1.00 1.34 H new ATOM 855 N PRO A 55 -16.777 -10.765 -2.538 1.00 0.62 N ATOM 856 CA PRO A 55 -17.183 -11.910 -3.378 1.00 0.59 C ATOM 857 C PRO A 55 -18.604 -11.781 -3.945 1.00 0.58 C ATOM 858 O PRO A 55 -19.547 -11.444 -3.222 1.00 0.83 O ATOM 859 CB PRO A 55 -17.085 -13.096 -2.420 1.00 0.76 C ATOM 860 CG PRO A 55 -17.252 -12.532 -1.037 1.00 0.87 C ATOM 861 CD PRO A 55 -17.088 -11.025 -1.119 1.00 0.83 C ATOM 0 HA PRO A 55 -16.554 -11.999 -4.264 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -17.857 -13.835 -2.635 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -16.124 -13.600 -2.521 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -18.234 -12.787 -0.638 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -16.512 -12.959 -0.360 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -17.997 -10.509 -0.811 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -16.287 -10.677 -0.467 1.00 0.83 H new ATOM 869 N VAL A 56 -18.741 -12.079 -5.238 1.00 0.41 N ATOM 870 CA VAL A 56 -20.026 -12.035 -5.942 1.00 0.43 C ATOM 871 C VAL A 56 -20.088 -13.207 -6.927 1.00 0.42 C ATOM 872 O VAL A 56 -19.111 -13.503 -7.623 1.00 0.43 O ATOM 873 CB VAL A 56 -20.197 -10.693 -6.675 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.443 -10.702 -7.566 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.282 -9.544 -5.669 1.00 0.63 C ATOM 0 H VAL A 56 -17.960 -12.359 -5.831 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.841 -12.122 -5.224 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.324 -10.547 -7.311 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.537 -9.740 -8.070 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.353 -11.494 -8.309 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.327 -10.878 -6.953 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.403 -8.601 -6.203 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -21.136 -9.700 -5.010 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.368 -9.511 -5.076 1.00 0.63 H new ATOM 885 N SER A 57 -21.229 -13.882 -6.968 1.00 0.47 N ATOM 886 CA SER A 57 -21.434 -15.029 -7.838 1.00 0.48 C ATOM 887 C SER A 57 -21.863 -14.597 -9.247 1.00 0.46 C ATOM 888 O SER A 57 -22.800 -13.815 -9.410 1.00 0.59 O ATOM 889 CB SER A 57 -22.493 -15.915 -7.203 1.00 0.61 C ATOM 890 OG SER A 57 -22.040 -16.413 -5.947 1.00 0.91 O ATOM 0 H SER A 57 -22.040 -13.647 -6.396 1.00 0.47 H new ATOM 0 HA SER A 57 -20.497 -15.575 -7.948 1.00 0.48 H new ATOM 0 HB2 SER A 57 -23.414 -15.349 -7.065 1.00 0.61 H new ATOM 0 HB3 SER A 57 -22.726 -16.747 -7.868 1.00 0.61 H new ATOM 0 HG SER A 57 -21.093 -16.657 -6.014 1.00 0.91 H new ATOM 896 N LEU A 58 -21.170 -15.123 -10.260 1.00 0.44 N ATOM 897 CA LEU A 58 -21.460 -14.811 -11.670 1.00 0.49 C ATOM 898 C LEU A 58 -22.170 -16.000 -12.338 1.00 0.60 C ATOM 899 O LEU A 58 -22.008 -16.245 -13.535 1.00 0.89 O ATOM 900 CB LEU A 58 -20.141 -14.480 -12.395 1.00 0.67 C ATOM 901 CG LEU A 58 -20.349 -13.559 -13.602 1.00 0.70 C ATOM 902 CD1 LEU A 58 -20.808 -12.167 -13.159 1.00 0.60 C ATOM 903 CD2 LEU A 58 -19.063 -13.464 -14.429 1.00 0.86 C ATOM 0 H LEU A 58 -20.395 -15.774 -10.132 1.00 0.44 H new ATOM 0 HA LEU A 58 -22.123 -13.947 -11.729 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.454 -14.005 -11.694 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -19.670 -15.406 -12.725 1.00 0.67 H new ATOM 0 HG LEU A 58 -21.133 -13.989 -14.225 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -20.948 -11.534 -14.035 1.00 0.60 H new ATOM 0 HD12 LEU A 58 -21.750 -12.250 -12.617 1.00 0.60 H new ATOM 0 HD13 LEU A 58 -20.053 -11.725 -12.509 1.00 0.60 H new ATOM 0 HD21 LEU A 58 -19.227 -12.806 -15.283 1.00 0.86 H new ATOM 0 HD22 LEU A 58 -18.261 -13.062 -13.810 1.00 0.86 H new ATOM 0 HD23 LEU A 58 -18.784 -14.456 -14.784 1.00 0.86 H new ATOM 915 N LYS A 59 -22.961 -16.734 -11.552 1.00 0.70 N ATOM 916 CA LYS A 59 -23.700 -17.895 -12.050 1.00 0.90 C ATOM 917 C LYS A 59 -24.931 -17.432 -12.836 1.00 0.87 C ATOM 918 O LYS A 59 -25.810 -16.759 -12.288 1.00 0.95 O ATOM 919 CB LYS A 59 -24.113 -18.790 -10.872 1.00 1.13 C ATOM 920 CG LYS A 59 -24.466 -20.205 -11.331 1.00 1.41 C ATOM 921 CD LYS A 59 -25.781 -20.680 -10.709 1.00 1.78 C ATOM 922 CE LYS A 59 -26.089 -22.131 -11.092 1.00 2.18 C ATOM 923 NZ LYS A 59 -25.323 -23.099 -10.258 1.00 2.83 N ATOM 0 H LYS A 59 -23.106 -16.542 -10.561 1.00 0.70 H new ATOM 0 HA LYS A 59 -23.061 -18.472 -12.719 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -23.300 -18.835 -10.147 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -24.970 -18.349 -10.363 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -24.546 -20.228 -12.418 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -23.663 -20.889 -11.056 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -25.724 -20.593 -9.624 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -26.595 -20.035 -11.039 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -27.157 -22.318 -10.977 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -25.849 -22.288 -12.144 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -25.559 -24.070 -10.548 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -24.304 -22.937 -10.387 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -25.571 -22.967 -9.257 1.00 2.83 H new ATOM 937 N GLU A 60 -24.973 -17.791 -14.124 1.00 0.89 N ATOM 938 CA GLU A 60 -26.073 -17.424 -15.030 1.00 0.93 C ATOM 939 C GLU A 60 -26.187 -15.898 -15.151 1.00 0.71 C ATOM 940 O GLU A 60 -27.206 -15.305 -14.784 1.00 0.82 O ATOM 941 CB GLU A 60 -27.396 -18.038 -14.548 1.00 1.20 C ATOM 942 CG GLU A 60 -27.249 -19.538 -14.270 1.00 1.43 C ATOM 943 CD GLU A 60 -28.614 -20.164 -14.033 1.00 1.80 C ATOM 944 OE1 GLU A 60 -29.427 -20.198 -14.978 1.00 2.04 O ATOM 945 OE2 GLU A 60 -28.883 -20.603 -12.900 1.00 2.33 O ATOM 0 H GLU A 60 -24.244 -18.346 -14.571 1.00 0.89 H new ATOM 0 HA GLU A 60 -25.854 -17.825 -16.020 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -27.726 -17.529 -13.642 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -28.168 -17.880 -15.301 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -26.759 -20.025 -15.113 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -26.613 -19.693 -13.398 1.00 1.43 H new ATOM 952 N ALA A 61 -25.122 -15.275 -15.654 1.00 0.51 N ATOM 953 CA ALA A 61 -25.060 -13.819 -15.822 1.00 0.35 C ATOM 954 C ALA A 61 -25.336 -13.429 -17.272 1.00 0.35 C ATOM 955 O ALA A 61 -24.615 -13.841 -18.181 1.00 0.43 O ATOM 956 CB ALA A 61 -23.677 -13.305 -15.404 1.00 0.31 C ATOM 0 H ALA A 61 -24.278 -15.762 -15.957 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.824 -13.367 -15.189 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.637 -12.223 -15.531 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.497 -13.554 -14.358 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.912 -13.772 -16.025 1.00 0.31 H new ATOM 962 N ILE A 62 -26.357 -12.604 -17.482 1.00 0.34 N ATOM 963 CA ILE A 62 -26.704 -12.127 -18.819 1.00 0.37 C ATOM 964 C ILE A 62 -25.907 -10.855 -19.102 1.00 0.31 C ATOM 965 O ILE A 62 -25.855 -9.950 -18.264 1.00 0.31 O ATOM 966 CB ILE A 62 -28.209 -11.848 -18.927 1.00 0.46 C ATOM 967 CG1 ILE A 62 -29.016 -13.141 -18.737 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.540 -11.199 -20.277 1.00 0.57 C ATOM 969 CD1 ILE A 62 -30.481 -12.852 -18.407 1.00 1.27 C ATOM 0 H ILE A 62 -26.962 -12.250 -16.741 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.457 -12.894 -19.553 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.486 -11.154 -18.134 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -28.959 -13.742 -19.645 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.573 -13.732 -17.936 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.612 -11.008 -20.336 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -27.998 -10.258 -20.371 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.246 -11.869 -21.085 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -31.018 -13.792 -18.280 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -30.539 -12.274 -17.485 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -30.932 -12.284 -19.220 1.00 1.27 H new ATOM 981 N CYS A 63 -25.280 -10.795 -20.268 1.00 0.34 N ATOM 982 CA CYS A 63 -24.467 -9.643 -20.656 1.00 0.33 C ATOM 983 C CYS A 63 -25.069 -8.960 -21.890 1.00 0.34 C ATOM 984 O CYS A 63 -25.408 -9.621 -22.874 1.00 0.52 O ATOM 985 CB CYS A 63 -23.027 -10.109 -20.927 1.00 0.37 C ATOM 986 SG CYS A 63 -21.794 -8.922 -20.375 1.00 0.53 S ATOM 0 H CYS A 63 -25.317 -11.535 -20.969 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.453 -8.913 -19.847 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.858 -11.062 -20.425 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -22.902 -10.285 -21.995 1.00 0.37 H new ATOM 0 HG CYS A 63 -20.649 -9.520 -20.233 1.00 0.53 H new ATOM 992 N GLU A 64 -25.200 -7.634 -21.823 1.00 0.26 N ATOM 993 CA GLU A 64 -25.756 -6.827 -22.921 1.00 0.29 C ATOM 994 C GLU A 64 -24.757 -5.731 -23.306 1.00 0.24 C ATOM 995 O GLU A 64 -24.146 -5.121 -22.433 1.00 0.36 O ATOM 996 CB GLU A 64 -27.084 -6.182 -22.489 1.00 0.33 C ATOM 997 CG GLU A 64 -28.030 -7.181 -21.810 1.00 0.81 C ATOM 998 CD GLU A 64 -29.296 -6.469 -21.346 1.00 1.41 C ATOM 999 OE1 GLU A 64 -29.928 -5.764 -22.159 1.00 1.83 O ATOM 1000 OE2 GLU A 64 -29.670 -6.634 -20.166 1.00 1.96 O ATOM 0 H GLU A 64 -24.925 -7.085 -21.008 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.940 -7.475 -23.778 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -26.878 -5.359 -21.805 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.578 -5.755 -23.362 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -28.287 -7.981 -22.505 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -27.532 -7.645 -20.959 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.601 -5.469 -24.601 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.678 -4.433 -25.080 1.00 0.32 C ATOM 1009 C VAL A 65 -24.355 -3.058 -24.997 1.00 0.31 C ATOM 1010 O VAL A 65 -25.492 -2.891 -25.447 1.00 0.43 O ATOM 1011 CB VAL A 65 -23.242 -4.732 -26.524 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -22.188 -3.722 -26.989 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.687 -6.159 -26.646 1.00 0.39 C ATOM 0 H VAL A 65 -25.101 -5.959 -25.343 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.789 -4.428 -24.449 1.00 0.32 H new ATOM 0 HB VAL A 65 -24.121 -4.645 -27.162 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.892 -3.950 -28.013 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.605 -2.716 -26.947 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.316 -3.780 -26.338 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.386 -6.345 -27.677 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -21.824 -6.271 -25.990 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.457 -6.875 -26.358 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.656 -2.084 -24.406 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.173 -0.720 -24.240 1.00 0.31 C ATOM 1025 C ALA A 66 -23.247 0.302 -24.916 1.00 0.34 C ATOM 1026 O ALA A 66 -22.310 0.835 -24.304 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.342 -0.399 -22.745 1.00 0.36 C ATOM 0 H ALA A 66 -22.717 -2.217 -24.029 1.00 0.25 H new ATOM 0 HA ALA A 66 -25.148 -0.657 -24.723 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.726 0.615 -22.632 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.043 -1.104 -22.298 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.377 -0.480 -22.244 1.00 0.36 H new ATOM 1033 N LEU A 67 -23.530 0.574 -26.186 1.00 0.55 N ATOM 1034 CA LEU A 67 -22.760 1.543 -26.986 1.00 0.71 C ATOM 1035 C LEU A 67 -23.572 2.835 -27.195 1.00 0.89 C ATOM 1036 O LEU A 67 -23.118 3.755 -27.874 1.00 1.22 O ATOM 1037 CB LEU A 67 -22.382 0.923 -28.342 1.00 0.76 C ATOM 1038 CG LEU A 67 -20.921 1.211 -28.706 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -19.983 0.206 -28.037 1.00 1.38 C ATOM 1040 CD2 LEU A 67 -20.733 1.188 -30.220 1.00 1.39 C ATOM 0 H LEU A 67 -24.296 0.134 -26.696 1.00 0.55 H new ATOM 0 HA LEU A 67 -21.847 1.795 -26.447 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -22.544 -0.154 -28.308 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -23.036 1.319 -29.119 1.00 0.76 H new ATOM 0 HG LEU A 67 -20.671 2.206 -28.339 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -18.952 0.432 -28.311 1.00 1.38 H new ATOM 0 HD12 LEU A 67 -20.093 0.270 -26.954 1.00 1.38 H new ATOM 0 HD13 LEU A 67 -20.234 -0.802 -28.368 1.00 1.38 H new ATOM 0 HD21 LEU A 67 -19.690 1.394 -30.460 1.00 1.39 H new ATOM 0 HD22 LEU A 67 -21.007 0.206 -30.606 1.00 1.39 H new ATOM 0 HD23 LEU A 67 -21.368 1.947 -30.677 1.00 1.39 H new ATOM 1052 N ASP A 68 -24.772 2.892 -26.605 1.00 0.90 N ATOM 1053 CA ASP A 68 -25.664 4.057 -26.714 1.00 1.14 C ATOM 1054 C ASP A 68 -26.139 4.513 -25.327 1.00 0.87 C ATOM 1055 O ASP A 68 -27.218 5.091 -25.194 1.00 1.00 O ATOM 1056 CB ASP A 68 -26.877 3.723 -27.611 1.00 1.59 C ATOM 1057 CG ASP A 68 -27.579 2.428 -27.184 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -28.081 2.352 -26.041 1.00 2.62 O ATOM 1059 OD2 ASP A 68 -27.630 1.481 -27.996 1.00 3.07 O ATOM 0 H ASP A 68 -25.153 2.134 -26.039 1.00 0.90 H new ATOM 0 HA ASP A 68 -25.104 4.873 -27.170 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -27.589 4.548 -27.577 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -26.546 3.630 -28.645 1.00 1.59 H new ATOM 1064 N TYR A 69 -25.324 4.268 -24.299 1.00 0.81 N ATOM 1065 CA TYR A 69 -25.656 4.667 -22.929 1.00 0.69 C ATOM 1066 C TYR A 69 -25.294 6.143 -22.744 1.00 0.97 C ATOM 1067 O TYR A 69 -24.192 6.467 -22.300 1.00 1.47 O ATOM 1068 CB TYR A 69 -24.887 3.786 -21.933 1.00 0.58 C ATOM 1069 CG TYR A 69 -25.279 4.023 -20.492 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.609 3.933 -20.106 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -24.311 4.334 -19.551 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -26.964 4.155 -18.790 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.670 4.554 -18.234 1.00 0.64 C ATOM 1074 CZ TYR A 69 -25.996 4.466 -17.860 1.00 0.76 C ATOM 1075 OH TYR A 69 -26.355 4.684 -16.552 1.00 0.97 O ATOM 0 H TYR A 69 -24.426 3.793 -24.390 1.00 0.81 H new ATOM 0 HA TYR A 69 -26.722 4.536 -22.745 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -25.057 2.738 -22.180 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -23.819 3.971 -22.046 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -27.367 3.689 -20.835 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -23.275 4.405 -19.847 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -27.999 4.085 -18.490 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -23.915 4.794 -17.500 1.00 0.64 H new ATOM 0 HH TYR A 69 -25.556 4.891 -16.024 1.00 0.97 H new ATOM 1173 N HIS A 74 -17.340 2.457 -24.603 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.588 1.003 -24.597 1.00 0.38 C ATOM 1175 C HIS A 74 -18.085 0.535 -23.227 1.00 0.30 C ATOM 1176 O HIS A 74 -17.286 0.283 -22.315 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.289 0.255 -24.972 1.00 0.64 C ATOM 1178 CG HIS A 74 -16.095 0.114 -26.452 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -16.730 -0.648 -27.379 1.00 1.30 N flip ATOM 1180 CD2 HIS A 74 -15.159 0.821 -27.162 1.00 1.38 C flip ATOM 1181 CE1 HIS A 74 -16.164 -0.375 -28.611 1.00 1.47 C flip ATOM 1182 NE2 HIS A 74 -15.211 0.527 -28.437 1.00 1.53 N flip ATOM 0 HA HIS A 74 -18.363 0.781 -25.331 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.436 0.787 -24.549 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -16.304 -0.736 -24.518 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -14.469 1.528 -26.726 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -16.450 -0.821 -29.552 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -14.621 0.924 -29.168 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.408 0.404 -23.095 1.00 0.26 N ATOM 1191 CA VAL A 75 -20.038 -0.051 -21.858 1.00 0.23 C ATOM 1192 C VAL A 75 -20.860 -1.309 -22.147 1.00 0.22 C ATOM 1193 O VAL A 75 -21.288 -1.541 -23.277 1.00 0.26 O ATOM 1194 CB VAL A 75 -20.943 1.065 -21.292 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.626 0.635 -19.990 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.155 2.355 -21.061 1.00 0.31 C ATOM 0 H VAL A 75 -20.070 0.611 -23.843 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.273 -0.286 -21.118 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.714 1.253 -22.039 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.254 1.447 -19.623 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.242 -0.245 -20.176 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -20.869 0.396 -19.243 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.820 3.121 -20.662 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.350 2.167 -20.350 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.732 2.697 -22.006 1.00 0.31 H new ATOM 1206 N PHE A 76 -21.093 -2.110 -21.119 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.885 -3.326 -21.239 1.00 0.23 C ATOM 1208 C PHE A 76 -22.602 -3.586 -19.924 1.00 0.22 C ATOM 1209 O PHE A 76 -22.041 -3.395 -18.844 1.00 0.27 O ATOM 1210 CB PHE A 76 -21.024 -4.537 -21.654 1.00 0.26 C ATOM 1211 CG PHE A 76 -20.023 -5.014 -20.613 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -20.406 -5.924 -19.636 1.00 0.27 C ATOM 1213 CD2 PHE A 76 -18.714 -4.558 -20.650 1.00 0.26 C ATOM 1214 CE1 PHE A 76 -19.487 -6.373 -18.700 1.00 0.29 C ATOM 1215 CE2 PHE A 76 -17.792 -5.006 -19.717 1.00 0.28 C ATOM 1216 CZ PHE A 76 -18.177 -5.912 -18.740 1.00 0.29 C ATOM 0 H PHE A 76 -20.739 -1.936 -20.178 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.621 -3.185 -22.031 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.688 -5.365 -21.901 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.482 -4.281 -22.564 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -21.424 -6.283 -19.605 1.00 0.27 H new ATOM 0 HD2 PHE A 76 -18.412 -3.851 -21.409 1.00 0.26 H new ATOM 0 HE1 PHE A 76 -19.789 -7.080 -17.941 1.00 0.29 H new ATOM 0 HE2 PHE A 76 -16.773 -4.649 -19.751 1.00 0.28 H new ATOM 0 HZ PHE A 76 -17.459 -6.259 -18.011 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.843 -4.021 -20.018 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.655 -4.319 -18.840 1.00 0.28 C ATOM 1228 C LYS A 77 -24.439 -5.766 -18.424 1.00 0.31 C ATOM 1229 O LYS A 77 -24.241 -6.643 -19.269 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.145 -4.070 -19.118 1.00 0.36 C ATOM 1231 CG LYS A 77 -26.356 -2.936 -20.123 1.00 1.20 C ATOM 1232 CD LYS A 77 -27.711 -2.256 -19.934 1.00 1.33 C ATOM 1233 CE LYS A 77 -28.878 -3.197 -20.254 1.00 1.76 C ATOM 1234 NZ LYS A 77 -29.176 -3.241 -21.713 1.00 1.95 N ATOM 0 H LYS A 77 -24.321 -4.179 -20.905 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.346 -3.656 -18.032 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.601 -4.983 -19.500 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.653 -3.827 -18.185 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -25.561 -2.199 -20.012 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -26.285 -3.331 -21.137 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -27.800 -1.906 -18.906 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -27.768 -1.377 -20.576 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -28.641 -4.201 -19.902 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -29.766 -2.871 -19.712 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -29.712 -4.105 -21.932 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -29.739 -2.408 -21.978 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -28.285 -3.241 -22.249 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.479 -6.001 -17.125 1.00 0.23 N ATOM 1249 CA LEU A 78 -24.286 -7.330 -16.559 1.00 0.24 C ATOM 1250 C LEU A 78 -25.384 -7.590 -15.531 1.00 0.29 C ATOM 1251 O LEU A 78 -25.395 -7.005 -14.442 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.887 -7.407 -15.937 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.477 -8.831 -15.581 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -22.937 -9.834 -16.639 1.00 0.30 C ATOM 1255 CD2 LEU A 78 -20.968 -8.926 -15.373 1.00 0.86 C ATOM 0 H LEU A 78 -24.647 -5.275 -16.428 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.354 -8.100 -17.328 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -22.161 -6.988 -16.634 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -22.859 -6.790 -15.039 1.00 0.30 H new ATOM 0 HG LEU A 78 -22.974 -9.087 -14.645 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -22.626 -10.837 -16.349 1.00 0.30 H new ATOM 0 HD12 LEU A 78 -24.023 -9.801 -16.723 1.00 0.30 H new ATOM 0 HD13 LEU A 78 -22.491 -9.579 -17.600 1.00 0.30 H new ATOM 0 HD21 LEU A 78 -20.699 -9.952 -15.120 1.00 0.86 H new ATOM 0 HD22 LEU A 78 -20.455 -8.632 -16.289 1.00 0.86 H new ATOM 0 HD23 LEU A 78 -20.670 -8.262 -14.561 1.00 0.86 H new ATOM 1267 N ARG A 79 -26.320 -8.453 -15.908 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.470 -8.802 -15.071 1.00 0.40 C ATOM 1269 C ARG A 79 -27.282 -10.190 -14.464 1.00 0.45 C ATOM 1270 O ARG A 79 -27.116 -11.176 -15.184 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.744 -8.761 -15.928 1.00 0.50 C ATOM 1272 CG ARG A 79 -30.017 -8.867 -15.077 1.00 1.11 C ATOM 1273 CD ARG A 79 -31.266 -9.068 -15.947 1.00 1.51 C ATOM 1274 NE ARG A 79 -31.315 -8.083 -17.037 1.00 1.91 N ATOM 1275 CZ ARG A 79 -31.320 -6.772 -16.810 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -32.120 -6.263 -15.881 1.00 2.93 N ATOM 1277 NH2 ARG A 79 -30.538 -5.979 -17.529 1.00 2.99 N ATOM 0 H ARG A 79 -26.306 -8.935 -16.807 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.558 -8.084 -14.256 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.766 -7.833 -16.499 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.722 -9.578 -16.649 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.921 -9.700 -14.380 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -30.132 -7.963 -14.479 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -31.265 -10.076 -16.363 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -32.161 -8.978 -15.331 1.00 1.51 H new ATOM 0 HE ARG A 79 -31.346 -8.416 -18.001 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -32.730 -6.877 -15.342 1.00 2.93 H new ATOM 0 HH12 ARG A 79 -32.124 -5.258 -15.707 1.00 2.93 H new ATOM 0 HH21 ARG A 79 -29.937 -6.375 -18.252 1.00 2.99 H new ATOM 0 HH22 ARG A 79 -30.538 -4.973 -17.360 1.00 2.99 H new ATOM 1291 N LEU A 80 -27.326 -10.261 -13.139 1.00 0.54 N ATOM 1292 CA LEU A 80 -27.177 -11.525 -12.417 1.00 0.68 C ATOM 1293 C LEU A 80 -28.568 -12.100 -12.129 1.00 0.84 C ATOM 1294 O LEU A 80 -29.462 -11.374 -11.680 1.00 1.06 O ATOM 1295 CB LEU A 80 -26.408 -11.288 -11.113 1.00 0.82 C ATOM 1296 CG LEU A 80 -25.072 -10.581 -11.361 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -24.275 -10.467 -10.064 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -24.247 -11.309 -12.421 1.00 1.26 C ATOM 0 H LEU A 80 -27.465 -9.451 -12.535 1.00 0.54 H new ATOM 0 HA LEU A 80 -26.615 -12.237 -13.021 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -27.016 -10.688 -10.436 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -26.228 -12.243 -10.619 1.00 0.82 H new ATOM 0 HG LEU A 80 -25.292 -9.579 -11.730 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -23.329 -9.962 -10.261 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -24.847 -9.894 -9.335 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -24.079 -11.464 -9.669 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -23.305 -10.782 -12.574 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -24.044 -12.327 -12.088 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -24.803 -11.338 -13.358 1.00 1.26 H new ATOM 1310 N SER A 81 -28.756 -13.395 -12.403 1.00 1.01 N ATOM 1311 CA SER A 81 -30.053 -14.069 -12.193 1.00 1.23 C ATOM 1312 C SER A 81 -30.332 -14.367 -10.705 1.00 1.40 C ATOM 1313 O SER A 81 -31.031 -15.330 -10.381 1.00 1.92 O ATOM 1314 CB SER A 81 -30.093 -15.364 -13.017 1.00 1.52 C ATOM 1315 OG SER A 81 -29.817 -15.088 -14.389 1.00 2.18 O ATOM 0 H SER A 81 -28.026 -14.004 -12.773 1.00 1.01 H new ATOM 0 HA SER A 81 -30.838 -13.391 -12.527 1.00 1.23 H new ATOM 0 HB2 SER A 81 -29.362 -16.073 -12.628 1.00 1.52 H new ATOM 0 HB3 SER A 81 -31.073 -15.832 -12.923 1.00 1.52 H new ATOM 0 HG SER A 81 -28.855 -15.178 -14.554 1.00 2.18 H new ATOM 1321 N ASP A 82 -29.815 -13.514 -9.817 1.00 1.33 N ATOM 1322 CA ASP A 82 -30.026 -13.647 -8.365 1.00 1.76 C ATOM 1323 C ASP A 82 -30.836 -12.446 -7.858 1.00 1.31 C ATOM 1324 O ASP A 82 -31.851 -12.611 -7.181 1.00 1.74 O ATOM 1325 CB ASP A 82 -28.677 -13.810 -7.611 1.00 2.76 C ATOM 1326 CG ASP A 82 -27.910 -12.495 -7.420 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -27.698 -11.773 -8.416 1.00 3.98 O ATOM 1328 OD2 ASP A 82 -27.524 -12.179 -6.277 1.00 3.77 O ATOM 0 H ASP A 82 -29.240 -12.713 -10.078 1.00 1.33 H new ATOM 0 HA ASP A 82 -30.597 -14.554 -8.164 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -28.869 -14.253 -6.634 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -28.047 -14.510 -8.160 1.00 2.76 H new ATOM 1333 N GLY A 83 -30.382 -11.245 -8.203 1.00 1.09 N ATOM 1334 CA GLY A 83 -31.046 -10.006 -7.811 1.00 1.53 C ATOM 1335 C GLY A 83 -30.040 -8.861 -7.784 1.00 1.31 C ATOM 1336 O GLY A 83 -29.887 -8.191 -6.742 1.00 1.88 O ATOM 0 H GLY A 83 -29.542 -11.103 -8.763 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -31.850 -9.778 -8.510 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -31.502 -10.123 -6.828 1.00 1.53 H new ATOM 1340 N ASN A 84 -29.350 -8.639 -8.931 1.00 0.93 N ATOM 1341 CA ASN A 84 -28.346 -7.578 -9.045 1.00 0.71 C ATOM 1342 C ASN A 84 -28.282 -7.094 -10.492 1.00 0.62 C ATOM 1343 O ASN A 84 -28.463 -7.889 -11.421 1.00 0.65 O ATOM 1344 CB ASN A 84 -26.962 -8.105 -8.624 1.00 0.84 C ATOM 1345 CG ASN A 84 -26.811 -8.149 -7.105 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -26.641 -7.116 -6.456 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -26.871 -9.343 -6.534 1.00 1.32 N ATOM 0 H ASN A 84 -29.478 -9.185 -9.783 1.00 0.93 H new ATOM 0 HA ASN A 84 -28.627 -6.754 -8.389 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -26.813 -9.104 -9.033 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -26.186 -7.468 -9.048 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -26.775 -9.430 -5.522 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -27.013 -10.175 -7.106 1.00 1.32 H new ATOM 1354 N GLU A 85 -28.018 -5.796 -10.666 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.914 -5.162 -11.986 1.00 0.55 C ATOM 1356 C GLU A 85 -26.744 -4.173 -11.976 1.00 0.47 C ATOM 1357 O GLU A 85 -26.806 -3.139 -11.300 1.00 0.60 O ATOM 1358 CB GLU A 85 -29.218 -4.424 -12.308 1.00 0.70 C ATOM 1359 CG GLU A 85 -30.288 -5.387 -12.811 1.00 1.16 C ATOM 1360 CD GLU A 85 -31.537 -4.619 -13.218 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -31.581 -4.089 -14.349 1.00 1.43 O ATOM 1362 OE2 GLU A 85 -32.482 -4.540 -12.408 1.00 1.39 O ATOM 0 H GLU A 85 -27.869 -5.150 -9.891 1.00 0.59 H new ATOM 0 HA GLU A 85 -27.741 -5.923 -12.747 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.578 -3.910 -11.416 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -29.030 -3.660 -13.062 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -29.907 -5.953 -13.661 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -30.534 -6.108 -12.032 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.679 -4.489 -12.716 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.492 -3.627 -12.778 1.00 0.31 C ATOM 1371 C TYR A 86 -24.125 -3.284 -14.223 1.00 0.29 C ATOM 1372 O TYR A 86 -24.273 -4.108 -15.127 1.00 0.40 O ATOM 1373 CB TYR A 86 -23.277 -4.319 -12.129 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.515 -4.889 -10.741 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -23.966 -4.075 -9.713 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -23.252 -6.228 -10.485 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -24.152 -4.593 -8.443 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -23.444 -6.744 -9.214 1.00 0.62 C ATOM 1379 CZ TYR A 86 -23.893 -5.923 -8.201 1.00 0.63 C ATOM 1380 OH TYR A 86 -24.071 -6.433 -6.938 1.00 0.77 O ATOM 0 H TYR A 86 -25.612 -5.335 -13.282 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.739 -2.714 -12.237 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.948 -5.126 -12.783 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.459 -3.601 -12.073 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -24.173 -3.032 -9.904 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -22.897 -6.869 -11.279 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -24.500 -3.955 -7.644 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -23.243 -7.787 -9.017 1.00 0.62 H new ATOM 0 HH TYR A 86 -25.029 -6.530 -6.757 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.583 -2.079 -14.408 1.00 0.24 N ATOM 1391 CA LEU A 87 -23.105 -1.603 -15.710 1.00 0.23 C ATOM 1392 C LEU A 87 -21.580 -1.606 -15.659 1.00 0.22 C ATOM 1393 O LEU A 87 -20.991 -0.989 -14.767 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.597 -0.177 -16.011 1.00 0.26 C ATOM 1395 CG LEU A 87 -25.120 -0.063 -16.055 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.528 1.278 -16.663 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.737 -1.206 -16.858 1.00 0.38 C ATOM 0 H LEU A 87 -23.462 -1.401 -13.655 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.488 -2.254 -16.496 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -23.210 0.502 -15.251 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -23.187 0.148 -16.967 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.492 -0.125 -15.032 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.615 1.350 -16.690 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -25.126 2.090 -16.057 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -25.134 1.353 -17.677 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.821 -1.097 -16.871 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.357 -1.180 -17.879 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.473 -2.158 -16.397 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.951 -2.306 -16.594 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.492 -2.407 -16.651 1.00 0.19 C ATOM 1411 C PHE A 88 -18.971 -1.751 -17.923 1.00 0.20 C ATOM 1412 O PHE A 88 -19.596 -1.838 -18.972 1.00 0.27 O ATOM 1413 CB PHE A 88 -19.078 -3.878 -16.615 1.00 0.20 C ATOM 1414 CG PHE A 88 -19.108 -4.471 -15.225 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -18.073 -4.208 -14.343 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -20.166 -5.279 -14.829 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -18.092 -4.749 -13.070 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -20.184 -5.819 -13.555 1.00 0.25 C ATOM 1419 CZ PHE A 88 -19.150 -5.554 -12.675 1.00 0.22 C ATOM 0 H PHE A 88 -21.432 -2.819 -17.333 1.00 0.18 H new ATOM 0 HA PHE A 88 -19.065 -1.892 -15.791 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.742 -4.452 -17.262 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -18.072 -3.976 -17.023 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.250 -3.580 -14.650 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.974 -5.486 -15.515 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.283 -4.545 -12.384 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -21.006 -6.448 -13.247 1.00 0.25 H new ATOM 0 HZ PHE A 88 -19.167 -5.974 -11.680 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.822 -1.094 -17.831 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.218 -0.423 -18.987 1.00 0.26 C ATOM 1431 C GLN A 89 -15.713 -0.685 -19.021 1.00 0.22 C ATOM 1432 O GLN A 89 -15.045 -0.693 -17.981 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.549 1.086 -18.946 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.364 1.984 -19.326 1.00 0.52 C ATOM 1435 CD GLN A 89 -16.803 3.448 -19.372 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -17.173 4.029 -18.350 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -16.765 4.041 -20.555 1.00 1.63 N ATOM 0 H GLN A 89 -17.285 -1.008 -16.968 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.636 -0.827 -19.909 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.378 1.286 -19.624 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -17.887 1.349 -17.943 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -15.559 1.861 -18.602 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -15.968 1.685 -20.297 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -16.452 3.522 -21.376 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -17.049 5.016 -20.646 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.190 -0.882 -20.233 1.00 0.22 N ATOM 1447 CA ALA A 90 -13.759 -1.135 -20.453 1.00 0.24 C ATOM 1448 C ALA A 90 -13.125 0.074 -21.148 1.00 0.27 C ATOM 1449 O ALA A 90 -13.833 0.943 -21.661 1.00 0.32 O ATOM 1450 CB ALA A 90 -13.579 -2.401 -21.298 1.00 0.29 C ATOM 0 H ALA A 90 -15.743 -0.871 -21.090 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.263 -1.287 -19.494 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -12.516 -2.584 -21.458 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.019 -3.252 -20.777 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.073 -2.269 -22.260 1.00 0.29 H new ATOM 1456 N LYS A 91 -11.794 0.136 -21.160 1.00 0.35 N ATOM 1457 CA LYS A 91 -11.079 1.261 -21.787 1.00 0.44 C ATOM 1458 C LYS A 91 -10.819 1.006 -23.279 1.00 0.49 C ATOM 1459 O LYS A 91 -10.820 1.941 -24.085 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.762 1.529 -21.037 1.00 0.65 C ATOM 1461 CG LYS A 91 -8.736 0.405 -21.214 1.00 1.26 C ATOM 1462 CD LYS A 91 -7.838 0.276 -19.980 1.00 1.43 C ATOM 1463 CE LYS A 91 -6.435 -0.204 -20.347 1.00 1.86 C ATOM 1464 NZ LYS A 91 -6.466 -1.517 -21.051 1.00 2.29 N ATOM 0 H LYS A 91 -11.187 -0.572 -20.747 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.711 2.146 -21.718 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.332 2.466 -21.391 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -9.974 1.657 -19.975 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.253 -0.538 -21.391 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -8.124 0.603 -22.094 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -7.772 1.240 -19.476 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -8.288 -0.422 -19.274 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -5.952 0.538 -20.983 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -5.832 -0.290 -19.443 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -5.496 -1.874 -21.163 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -7.023 -2.196 -20.494 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -6.901 -1.398 -21.988 1.00 2.29 H new ATOM 1478 N ASP A 92 -10.597 -0.260 -23.639 1.00 0.49 N ATOM 1479 CA ASP A 92 -10.330 -0.654 -25.035 1.00 0.66 C ATOM 1480 C ASP A 92 -11.501 -1.478 -25.579 1.00 0.59 C ATOM 1481 O ASP A 92 -12.160 -2.201 -24.826 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.024 -1.475 -25.106 1.00 0.84 C ATOM 1483 CG ASP A 92 -8.069 -0.920 -26.160 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -8.503 -0.704 -27.309 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -6.887 -0.694 -25.844 1.00 2.01 O ATOM 0 H ASP A 92 -10.596 -1.040 -22.981 1.00 0.49 H new ATOM 0 HA ASP A 92 -10.218 0.243 -25.644 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -8.536 -1.468 -24.132 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.259 -2.514 -25.338 1.00 0.84 H new ATOM 1490 N ASP A 93 -11.751 -1.379 -26.887 1.00 0.62 N ATOM 1491 CA ASP A 93 -12.848 -2.127 -27.536 1.00 0.63 C ATOM 1492 C ASP A 93 -12.632 -3.641 -27.396 1.00 0.49 C ATOM 1493 O ASP A 93 -13.573 -4.390 -27.118 1.00 0.54 O ATOM 1494 CB ASP A 93 -13.002 -1.707 -29.016 1.00 0.83 C ATOM 1495 CG ASP A 93 -11.961 -2.344 -29.941 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -10.751 -2.232 -29.661 1.00 2.13 O ATOM 1497 OD2 ASP A 93 -12.358 -2.954 -30.953 1.00 2.21 O ATOM 0 H ASP A 93 -11.213 -0.790 -27.523 1.00 0.62 H new ATOM 0 HA ASP A 93 -13.780 -1.879 -27.028 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -13.999 -1.980 -29.361 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -12.925 -0.622 -29.088 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.379 -4.075 -27.561 1.00 0.41 N ATOM 1503 CA GLU A 94 -11.011 -5.489 -27.430 1.00 0.41 C ATOM 1504 C GLU A 94 -11.176 -5.930 -25.972 1.00 0.36 C ATOM 1505 O GLU A 94 -11.656 -7.030 -25.701 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.562 -5.707 -27.889 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.291 -7.185 -28.222 1.00 1.21 C ATOM 1508 CD GLU A 94 -9.157 -7.391 -29.727 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -8.389 -6.650 -30.366 1.00 2.43 O ATOM 1510 OE2 GLU A 94 -9.810 -8.299 -30.271 1.00 2.59 O ATOM 0 H GLU A 94 -10.596 -3.462 -27.787 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.667 -6.088 -28.062 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -9.361 -5.093 -28.767 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -8.878 -5.378 -27.106 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -8.378 -7.512 -27.724 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -10.103 -7.803 -27.838 1.00 1.21 H new ATOM 1517 N GLU A 95 -10.805 -5.042 -25.037 1.00 0.31 N ATOM 1518 CA GLU A 95 -10.925 -5.305 -23.594 1.00 0.29 C ATOM 1519 C GLU A 95 -12.391 -5.566 -23.222 1.00 0.24 C ATOM 1520 O GLU A 95 -12.701 -6.537 -22.530 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.382 -4.108 -22.795 1.00 0.33 C ATOM 1522 CG GLU A 95 -9.907 -4.519 -21.398 1.00 0.42 C ATOM 1523 CD GLU A 95 -9.507 -3.288 -20.589 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -10.362 -2.407 -20.374 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -8.340 -3.202 -20.160 1.00 1.30 O ATOM 0 H GLU A 95 -10.415 -4.126 -25.258 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.339 -6.191 -23.348 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.555 -3.653 -23.340 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.160 -3.349 -22.705 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -10.700 -5.060 -20.882 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.059 -5.199 -21.481 1.00 0.42 H new ATOM 1532 N MET A 96 -13.289 -4.704 -23.720 1.00 0.24 N ATOM 1533 CA MET A 96 -14.736 -4.831 -23.477 1.00 0.22 C ATOM 1534 C MET A 96 -15.250 -6.178 -23.999 1.00 0.22 C ATOM 1535 O MET A 96 -15.986 -6.881 -23.311 1.00 0.23 O ATOM 1536 CB MET A 96 -15.485 -3.681 -24.165 1.00 0.26 C ATOM 1537 CG MET A 96 -16.924 -3.552 -23.658 1.00 0.39 C ATOM 1538 SD MET A 96 -18.041 -2.895 -24.910 1.00 0.94 S ATOM 1539 CE MET A 96 -18.048 -4.235 -26.113 1.00 0.77 C ATOM 0 H MET A 96 -13.037 -3.903 -24.299 1.00 0.24 H new ATOM 0 HA MET A 96 -14.916 -4.782 -22.403 1.00 0.22 H new ATOM 0 HB2 MET A 96 -14.953 -2.746 -23.990 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.493 -3.846 -25.242 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.281 -4.530 -23.335 1.00 0.39 H new ATOM 0 HG3 MET A 96 -16.941 -2.901 -22.784 1.00 0.39 H new ATOM 0 HE1 MET A 96 -17.650 -3.874 -27.062 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.429 -5.055 -25.748 1.00 0.77 H new ATOM 0 HE3 MET A 96 -19.069 -4.588 -26.258 1.00 0.77 H new ATOM 1549 N ASN A 97 -14.837 -6.530 -25.221 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.234 -7.795 -25.854 1.00 0.28 C ATOM 1551 C ASN A 97 -14.668 -8.998 -25.078 1.00 0.26 C ATOM 1552 O ASN A 97 -15.357 -9.999 -24.890 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.753 -7.816 -27.315 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.513 -8.856 -28.142 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -16.692 -9.117 -27.909 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -14.836 -9.436 -29.120 1.00 1.24 N ATOM 0 H ASN A 97 -14.223 -5.953 -25.796 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.321 -7.870 -25.837 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -14.888 -6.829 -27.757 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.686 -8.036 -27.344 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -15.291 -10.129 -29.715 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -13.859 -9.190 -29.279 1.00 1.24 H new ATOM 1563 N THR A 98 -13.418 -8.881 -24.611 1.00 0.25 N ATOM 1564 CA THR A 98 -12.768 -9.953 -23.836 1.00 0.27 C ATOM 1565 C THR A 98 -13.518 -10.196 -22.516 1.00 0.23 C ATOM 1566 O THR A 98 -13.668 -11.340 -22.079 1.00 0.27 O ATOM 1567 CB THR A 98 -11.299 -9.593 -23.559 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.642 -9.246 -24.772 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.561 -10.755 -22.891 1.00 0.39 C ATOM 0 H THR A 98 -12.835 -8.057 -24.755 1.00 0.25 H new ATOM 0 HA THR A 98 -12.798 -10.871 -24.422 1.00 0.27 H new ATOM 0 HB THR A 98 -11.286 -8.740 -22.880 1.00 0.31 H new ATOM 0 HG1 THR A 98 -11.044 -8.432 -25.140 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.525 -10.471 -22.708 1.00 0.39 H new ATOM 0 HG22 THR A 98 -11.044 -10.997 -21.944 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.588 -11.627 -23.545 1.00 0.39 H new ATOM 1577 N TRP A 99 -14.007 -9.115 -21.899 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.762 -9.206 -20.644 1.00 0.20 C ATOM 1579 C TRP A 99 -16.111 -9.891 -20.889 1.00 0.21 C ATOM 1580 O TRP A 99 -16.483 -10.814 -20.165 1.00 0.24 O ATOM 1581 CB TRP A 99 -14.973 -7.806 -20.036 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.807 -7.349 -19.202 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -12.974 -6.294 -19.454 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.344 -7.945 -17.970 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.040 -6.224 -18.462 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.234 -7.209 -17.543 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.762 -9.030 -17.195 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.545 -7.524 -16.384 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -13.078 -9.348 -16.033 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.977 -8.603 -15.631 1.00 0.29 C ATOM 0 H TRP A 99 -13.893 -8.164 -22.249 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.188 -9.804 -19.936 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.143 -7.088 -20.839 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.873 -7.814 -19.421 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.044 -5.626 -20.300 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.296 -5.527 -18.415 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.615 -9.618 -17.501 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.690 -6.941 -16.074 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.405 -10.185 -15.433 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.454 -8.867 -14.724 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.824 -9.449 -21.932 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.125 -10.031 -22.301 1.00 0.24 C ATOM 1603 C ILE A 100 -17.955 -11.520 -22.652 1.00 0.28 C ATOM 1604 O ILE A 100 -18.775 -12.356 -22.263 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.741 -9.244 -23.474 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.144 -7.832 -23.016 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -19.956 -9.979 -24.056 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.691 -6.993 -24.173 1.00 0.29 C ATOM 0 H ILE A 100 -16.522 -8.687 -22.539 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.807 -9.961 -21.454 1.00 0.24 H new ATOM 0 HB ILE A 100 -17.987 -9.161 -24.257 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -19.898 -7.906 -22.232 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.280 -7.331 -22.581 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.370 -9.400 -24.882 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.649 -10.960 -24.418 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.714 -10.099 -23.282 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -19.964 -6.003 -23.807 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -18.928 -6.897 -24.945 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.571 -7.481 -24.592 1.00 0.29 H new ATOM 1620 N GLN A 101 -16.868 -11.848 -23.362 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.556 -13.233 -23.747 1.00 0.35 C ATOM 1622 C GLN A 101 -16.318 -14.096 -22.500 1.00 0.36 C ATOM 1623 O GLN A 101 -16.869 -15.194 -22.380 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.314 -13.268 -24.651 1.00 0.40 C ATOM 1625 CG GLN A 101 -15.685 -13.054 -26.121 1.00 0.48 C ATOM 1626 CD GLN A 101 -14.432 -13.024 -26.996 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -14.212 -12.078 -27.751 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -13.606 -14.056 -26.900 1.00 1.76 N ATOM 0 H GLN A 101 -16.182 -11.166 -23.685 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.406 -13.637 -24.297 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -14.611 -12.497 -24.336 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -14.807 -14.226 -24.538 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -16.348 -13.853 -26.454 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -16.233 -12.118 -26.230 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -13.820 -14.823 -26.263 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -12.756 -14.083 -27.463 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.498 -13.587 -21.571 1.00 0.32 N ATOM 1638 CA ALA A 102 -15.181 -14.297 -20.321 1.00 0.37 C ATOM 1639 C ALA A 102 -16.443 -14.504 -19.472 1.00 0.38 C ATOM 1640 O ALA A 102 -16.676 -15.592 -18.942 1.00 0.48 O ATOM 1641 CB ALA A 102 -14.130 -13.512 -19.527 1.00 0.38 C ATOM 0 H ALA A 102 -15.039 -12.681 -21.661 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.779 -15.278 -20.574 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.900 -14.043 -18.603 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.223 -13.412 -20.123 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.519 -12.522 -19.289 1.00 0.38 H new ATOM 1647 N ILE A 103 -17.267 -13.458 -19.371 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.527 -13.508 -18.612 1.00 0.38 C ATOM 1649 C ILE A 103 -19.484 -14.537 -19.239 1.00 0.47 C ATOM 1650 O ILE A 103 -20.153 -15.290 -18.528 1.00 0.55 O ATOM 1651 CB ILE A 103 -19.157 -12.103 -18.579 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -18.324 -11.174 -17.684 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.609 -12.139 -18.091 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.422 -9.715 -18.125 1.00 0.35 C ATOM 0 H ILE A 103 -17.084 -12.555 -19.809 1.00 0.33 H new ATOM 0 HA ILE A 103 -18.328 -13.823 -17.588 1.00 0.38 H new ATOM 0 HB ILE A 103 -19.162 -11.719 -19.599 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.664 -11.264 -16.652 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -17.281 -11.490 -17.705 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -21.015 -11.128 -18.083 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -21.202 -12.763 -18.759 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.644 -12.552 -17.083 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.818 -9.094 -17.464 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -18.057 -9.619 -19.148 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.461 -9.390 -18.078 1.00 0.35 H new ATOM 1666 N SER A 104 -19.519 -14.587 -20.575 1.00 0.53 N ATOM 1667 CA SER A 104 -20.367 -15.547 -21.300 1.00 0.66 C ATOM 1668 C SER A 104 -19.845 -16.984 -21.118 1.00 0.72 C ATOM 1669 O SER A 104 -20.580 -17.952 -21.323 1.00 0.89 O ATOM 1670 CB SER A 104 -20.416 -15.190 -22.792 1.00 0.81 C ATOM 1671 OG SER A 104 -20.848 -13.846 -22.974 1.00 1.05 O ATOM 0 H SER A 104 -18.971 -13.975 -21.179 1.00 0.53 H new ATOM 0 HA SER A 104 -21.375 -15.492 -20.888 1.00 0.66 H new ATOM 0 HB2 SER A 104 -19.429 -15.323 -23.235 1.00 0.81 H new ATOM 0 HB3 SER A 104 -21.093 -15.868 -23.311 1.00 0.81 H new ATOM 0 HG SER A 104 -20.096 -13.237 -22.818 1.00 1.05 H new ATOM 1677 N SER A 105 -18.573 -17.113 -20.712 1.00 0.80 N ATOM 1678 CA SER A 105 -17.943 -18.421 -20.475 1.00 1.13 C ATOM 1679 C SER A 105 -18.135 -18.879 -19.016 1.00 1.23 C ATOM 1680 O SER A 105 -17.537 -19.871 -18.597 1.00 1.61 O ATOM 1681 CB SER A 105 -16.444 -18.343 -20.804 1.00 1.48 C ATOM 1682 OG SER A 105 -16.235 -17.792 -22.101 1.00 1.63 O ATOM 0 H SER A 105 -17.956 -16.320 -20.540 1.00 0.80 H new ATOM 0 HA SER A 105 -18.424 -19.152 -21.125 1.00 1.13 H new ATOM 0 HB2 SER A 105 -15.936 -17.731 -20.059 1.00 1.48 H new ATOM 0 HB3 SER A 105 -16.004 -19.339 -20.753 1.00 1.48 H new ATOM 0 HG SER A 105 -16.357 -16.820 -22.067 1.00 1.63 H new ATOM 1688 N ALA A 106 -18.969 -18.161 -18.253 1.00 1.29 N ATOM 1689 CA ALA A 106 -19.240 -18.504 -16.855 1.00 1.59 C ATOM 1690 C ALA A 106 -20.405 -19.487 -16.783 1.00 2.40 C ATOM 1691 O ALA A 106 -21.518 -19.131 -17.227 1.00 3.00 O ATOM 1692 CB ALA A 106 -19.573 -17.238 -16.057 1.00 1.90 C ATOM 1693 OXT ALA A 106 -20.207 -20.621 -16.302 1.00 3.05 O ATOM 0 H ALA A 106 -19.469 -17.336 -18.584 1.00 1.29 H new ATOM 0 HA ALA A 106 -18.353 -18.968 -16.424 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -19.773 -17.504 -15.019 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -18.729 -16.549 -16.099 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -20.454 -16.759 -16.485 1.00 1.90 H new