USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=27 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 :FLIP amide:sc= 0.733 F(o=0.23,f=1.7) USER MOD Set 1.2: A 86 TYR OH : rot 91:sc= 0.956 USER MOD Set 2.1: A 74 HIS : no HD1:sc= 0 K(o=-0.14,f=-0.89) USER MOD Set 2.2: A 96 MET CE :methyl 167:sc= -0.137 (180deg=-0.748) USER MOD Set 3.1: A 8 LYS NZ :NH3+ 169:sc= 1.12 (180deg=0.571) USER MOD Set 3.2: A 69 TYR OH : rot 73:sc= 1.35 USER MOD Set 4.1: A 24 HIS : no HE2:sc= 0.487 K(o=1,f=-0.87) USER MOD Set 4.2: A 50 TYR OH : rot -170:sc= 0.545 USER MOD Single : A 6 ASN : amide:sc= 0.278 X(o=0.28,f=-0.0082) USER MOD Single : A 9 HIS :FLIP no HD1:sc= -1.66 F(o=-2.8,f=-1.7) USER MOD Single : A 22 SER OG : rot 180:sc= 0.0781 USER MOD Single : A 25 ASN : amide:sc= -0.0705 K(o=-0.071,f=-1.1) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -79:sc= 0.631 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 32 ASN : amide:sc= -0.0146 K(o=-0.015,f=-0.63) USER MOD Single : A 33 GLN : amide:sc= 1.1 K(o=1.1,f=-0.24) USER MOD Single : A 35 MET CE :methyl -137:sc= -0.0203 (180deg=-1.13) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -172:sc= -0.0105 (180deg=-0.117) USER MOD Single : A 42 LYS NZ :NH3+ -112:sc= -0.0308 (180deg=-0.546) USER MOD Single : A 43 SER OG : rot 140:sc= 0.0767 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.0215 X(o=-0.022,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0.00421 USER MOD Single : A 59 LYS NZ :NH3+ -154:sc= 1.25 (180deg=0.471) USER MOD Single : A 63 CYS SG : rot 12:sc= 0.0514 USER MOD Single : A 77 LYS NZ :NH3+ 161:sc= 1.12 (180deg=0.97) USER MOD Single : A 81 SER OG : rot 69:sc= 0.182 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 91 LYS NZ :NH3+ 161:sc= -0.0433 (180deg=-0.331) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 89:sc= 1.22 USER MOD Single : A 101 GLN : amide:sc= -0.224 X(o=-0.22,f=-0.22) USER MOD Single : A 104 SER OG : rot -44:sc= 1.29 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -8.106 -10.985 -15.068 1.00 0.51 N ATOM 21 CA GLU A 2 -8.212 -9.866 -14.122 1.00 0.37 C ATOM 22 C GLU A 2 -7.937 -8.552 -14.857 1.00 0.34 C ATOM 23 O GLU A 2 -7.241 -8.538 -15.880 1.00 0.48 O ATOM 24 CB GLU A 2 -7.203 -10.006 -12.962 1.00 0.53 C ATOM 25 CG GLU A 2 -6.903 -11.465 -12.584 1.00 0.96 C ATOM 26 CD GLU A 2 -5.691 -11.977 -13.353 1.00 1.61 C ATOM 27 OE1 GLU A 2 -4.603 -11.378 -13.225 1.00 2.09 O ATOM 28 OE2 GLU A 2 -5.823 -12.976 -14.086 1.00 2.16 O ATOM 0 HA GLU A 2 -9.220 -9.873 -13.707 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -6.272 -9.512 -13.239 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -7.592 -9.485 -12.087 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -6.719 -11.539 -11.512 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -7.770 -12.089 -12.802 1.00 0.96 H new ATOM 35 N GLY A 3 -8.461 -7.452 -14.331 1.00 0.25 N ATOM 36 CA GLY A 3 -8.250 -6.142 -14.940 1.00 0.28 C ATOM 37 C GLY A 3 -9.147 -5.081 -14.311 1.00 0.22 C ATOM 38 O GLY A 3 -10.089 -5.393 -13.573 1.00 0.22 O ATOM 0 H GLY A 3 -9.034 -7.439 -13.487 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -7.206 -5.851 -14.826 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.450 -6.201 -16.010 1.00 0.28 H new ATOM 42 N PHE A 4 -8.857 -3.820 -14.629 1.00 0.24 N ATOM 43 CA PHE A 4 -9.630 -2.681 -14.129 1.00 0.21 C ATOM 44 C PHE A 4 -10.888 -2.497 -14.978 1.00 0.22 C ATOM 45 O PHE A 4 -10.877 -2.735 -16.190 1.00 0.27 O ATOM 46 CB PHE A 4 -8.786 -1.400 -14.165 1.00 0.23 C ATOM 47 CG PHE A 4 -7.916 -1.230 -12.944 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.468 -0.832 -11.734 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.559 -1.487 -13.030 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.661 -0.689 -10.620 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.754 -1.341 -11.917 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.335 -0.890 -10.695 1.00 0.41 C ATOM 0 H PHE A 4 -8.082 -3.558 -15.239 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.916 -2.880 -13.096 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.156 -1.412 -15.054 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.448 -0.538 -14.255 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.527 -0.634 -11.663 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.129 -1.802 -13.969 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -8.104 -0.411 -9.675 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.699 -1.565 -11.971 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.711 -0.711 -9.832 1.00 0.41 H new ATOM 62 N LEU A 5 -11.958 -2.077 -14.330 1.00 0.19 N ATOM 63 CA LEU A 5 -13.251 -1.856 -14.983 1.00 0.21 C ATOM 64 C LEU A 5 -14.033 -0.798 -14.212 1.00 0.20 C ATOM 65 O LEU A 5 -13.948 -0.725 -12.982 1.00 0.21 O ATOM 66 CB LEU A 5 -14.065 -3.165 -14.995 1.00 0.23 C ATOM 67 CG LEU A 5 -13.979 -3.904 -16.332 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.752 -5.225 -16.258 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.497 -3.039 -17.486 1.00 0.31 C ATOM 0 H LEU A 5 -11.963 -1.876 -13.330 1.00 0.19 H new ATOM 0 HA LEU A 5 -13.079 -1.524 -16.007 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.706 -3.818 -14.200 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -15.109 -2.941 -14.776 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.929 -4.121 -16.529 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.683 -5.741 -17.216 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.325 -5.853 -15.476 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.798 -5.022 -16.030 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.421 -3.595 -18.420 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.539 -2.776 -17.304 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.900 -2.130 -17.556 1.00 0.31 H new ATOM 81 N ASN A 6 -14.836 -0.014 -14.920 1.00 0.22 N ATOM 82 CA ASN A 6 -15.677 0.997 -14.269 1.00 0.23 C ATOM 83 C ASN A 6 -16.991 0.323 -13.925 1.00 0.22 C ATOM 84 O ASN A 6 -17.680 -0.153 -14.816 1.00 0.26 O ATOM 85 CB ASN A 6 -15.925 2.210 -15.172 1.00 0.28 C ATOM 86 CG ASN A 6 -14.608 2.840 -15.638 1.00 0.72 C ATOM 87 OD1 ASN A 6 -14.182 3.868 -15.110 1.00 1.49 O ATOM 88 ND2 ASN A 6 -13.963 2.233 -16.628 1.00 1.24 N ATOM 0 H ASN A 6 -14.927 -0.053 -15.935 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.174 1.375 -13.379 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -16.511 1.906 -16.039 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.514 2.952 -14.633 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -13.084 2.617 -16.975 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -14.347 1.383 -17.041 1.00 1.24 H new ATOM 95 N ARG A 7 -17.309 0.242 -12.643 1.00 0.23 N ATOM 96 CA ARG A 7 -18.528 -0.424 -12.183 1.00 0.24 C ATOM 97 C ARG A 7 -19.537 0.594 -11.650 1.00 0.25 C ATOM 98 O ARG A 7 -19.247 1.339 -10.714 1.00 0.32 O ATOM 99 CB ARG A 7 -18.158 -1.432 -11.088 1.00 0.28 C ATOM 100 CG ARG A 7 -19.326 -2.356 -10.725 1.00 0.34 C ATOM 101 CD ARG A 7 -19.513 -2.426 -9.210 1.00 0.54 C ATOM 102 NE ARG A 7 -20.285 -3.613 -8.834 1.00 0.95 N ATOM 103 CZ ARG A 7 -20.282 -4.080 -7.587 1.00 1.16 C ATOM 104 NH1 ARG A 7 -19.357 -4.941 -7.213 1.00 1.46 N ATOM 105 NH2 ARG A 7 -21.204 -3.675 -6.727 1.00 1.71 N ATOM 0 H ARG A 7 -16.738 0.631 -11.893 1.00 0.23 H new ATOM 0 HA ARG A 7 -18.992 -0.943 -13.021 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.313 -2.034 -11.422 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -17.834 -0.894 -10.197 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -20.241 -1.993 -11.192 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.141 -3.355 -11.120 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -18.540 -2.450 -8.720 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -20.024 -1.529 -8.861 1.00 0.54 H new ATOM 0 HE ARG A 7 -20.838 -4.093 -9.544 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -18.647 -5.247 -7.878 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -19.351 -5.301 -6.259 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -21.916 -3.006 -7.020 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -21.202 -4.032 -5.772 1.00 1.71 H new ATOM 119 N LYS A 8 -20.724 0.598 -12.252 1.00 0.27 N ATOM 120 CA LYS A 8 -21.820 1.489 -11.862 1.00 0.29 C ATOM 121 C LYS A 8 -23.005 0.643 -11.408 1.00 0.29 C ATOM 122 O LYS A 8 -23.436 -0.260 -12.128 1.00 0.38 O ATOM 123 CB LYS A 8 -22.231 2.361 -13.052 1.00 0.36 C ATOM 124 CG LYS A 8 -23.065 3.575 -12.615 1.00 0.37 C ATOM 125 CD LYS A 8 -24.165 3.907 -13.638 1.00 0.50 C ATOM 126 CE LYS A 8 -25.568 3.801 -13.020 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.572 4.595 -13.785 1.00 1.02 N ATOM 0 H LYS A 8 -20.956 -0.020 -13.029 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.495 2.137 -11.048 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.339 2.704 -13.576 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.805 1.762 -13.759 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.519 3.374 -11.645 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -22.412 4.439 -12.489 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.012 4.916 -14.022 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -24.089 3.228 -14.487 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -25.875 2.756 -12.993 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.538 4.151 -11.988 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.529 4.354 -13.456 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -26.399 5.610 -13.635 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -26.489 4.376 -14.798 1.00 1.02 H new ATOM 141 N HIS A 9 -23.529 0.931 -10.217 1.00 0.43 N ATOM 142 CA HIS A 9 -24.669 0.188 -9.672 1.00 0.52 C ATOM 143 C HIS A 9 -25.968 0.791 -10.192 1.00 0.58 C ATOM 144 O HIS A 9 -26.375 1.872 -9.765 1.00 0.73 O ATOM 145 CB HIS A 9 -24.681 0.214 -8.126 1.00 0.68 C ATOM 146 CG HIS A 9 -23.403 -0.214 -7.459 1.00 0.88 C ATOM 147 ND1 HIS A 9 -22.108 -0.131 -7.841 1.00 1.21 N flip ATOM 148 CD2 HIS A 9 -23.364 -0.764 -6.203 1.00 1.22 C flip ATOM 149 CE1 HIS A 9 -21.329 -0.625 -6.812 1.00 1.69 C flip ATOM 150 NE2 HIS A 9 -22.131 -0.999 -5.830 1.00 1.75 N flip ATOM 0 H HIS A 9 -23.183 1.674 -9.609 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.576 -0.849 -9.995 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -24.919 1.226 -7.799 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -25.486 -0.432 -7.776 1.00 0.68 H new ATOM 0 HD2 HIS A 9 -24.235 -0.975 -5.601 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -20.251 -0.694 -6.810 1.00 1.69 H new ATOM 0 HE2 HIS A 9 -21.840 -1.400 -4.938 1.00 1.75 H new ATOM 158 N GLU A 10 -26.617 0.083 -11.108 1.00 0.60 N ATOM 159 CA GLU A 10 -27.887 0.534 -11.682 1.00 0.73 C ATOM 160 C GLU A 10 -29.051 0.020 -10.829 1.00 0.83 C ATOM 161 O GLU A 10 -30.121 0.623 -10.798 1.00 1.00 O ATOM 162 CB GLU A 10 -28.023 0.031 -13.130 1.00 0.79 C ATOM 163 CG GLU A 10 -29.079 0.822 -13.917 1.00 1.28 C ATOM 164 CD GLU A 10 -28.599 2.242 -14.179 1.00 1.19 C ATOM 165 OE1 GLU A 10 -27.941 2.477 -15.213 1.00 1.52 O ATOM 166 OE2 GLU A 10 -28.863 3.128 -13.346 1.00 1.72 O ATOM 0 H GLU A 10 -26.286 -0.810 -11.473 1.00 0.60 H new ATOM 0 HA GLU A 10 -27.908 1.624 -11.691 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.060 0.112 -13.634 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -28.292 -1.025 -13.123 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -29.285 0.322 -14.863 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -30.015 0.846 -13.358 1.00 1.28 H new ATOM 173 N TRP A 11 -28.828 -1.098 -10.138 1.00 0.82 N ATOM 174 CA TRP A 11 -29.843 -1.711 -9.281 1.00 0.96 C ATOM 175 C TRP A 11 -29.193 -2.815 -8.443 1.00 0.94 C ATOM 176 O TRP A 11 -28.375 -3.585 -8.944 1.00 0.84 O ATOM 177 CB TRP A 11 -30.975 -2.290 -10.147 1.00 1.08 C ATOM 178 CG TRP A 11 -32.144 -2.816 -9.365 1.00 1.26 C ATOM 179 CD1 TRP A 11 -33.052 -2.087 -8.653 1.00 1.54 C ATOM 180 CD2 TRP A 11 -32.538 -4.199 -9.231 1.00 1.26 C ATOM 181 NE1 TRP A 11 -33.967 -2.941 -8.103 1.00 1.67 N ATOM 182 CE2 TRP A 11 -33.685 -4.233 -8.431 1.00 1.51 C ATOM 183 CE3 TRP A 11 -32.029 -5.409 -9.713 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -34.321 -5.420 -8.107 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -32.660 -6.599 -9.394 1.00 1.35 C ATOM 186 CH2 TRP A 11 -33.797 -6.605 -8.598 1.00 1.53 C ATOM 0 H TRP A 11 -27.942 -1.603 -10.156 1.00 0.82 H new ATOM 0 HA TRP A 11 -30.267 -0.959 -8.615 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -31.328 -1.516 -10.828 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -30.571 -3.095 -10.761 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -33.048 -1.013 -8.542 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -34.755 -2.650 -7.525 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -31.145 -5.415 -10.333 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -35.205 -5.422 -7.486 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -32.264 -7.532 -9.768 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -34.278 -7.542 -8.359 1.00 1.53 H new ATOM 353 N SER A 22 -21.482 4.953 -7.395 1.00 1.32 N ATOM 354 CA SER A 22 -21.671 5.490 -8.751 1.00 0.74 C ATOM 355 C SER A 22 -20.618 4.897 -9.687 1.00 0.68 C ATOM 356 O SER A 22 -20.160 3.771 -9.487 1.00 1.69 O ATOM 357 CB SER A 22 -21.610 7.031 -8.745 1.00 1.62 C ATOM 358 OG SER A 22 -22.330 7.569 -9.849 1.00 1.86 O ATOM 0 HA SER A 22 -22.659 5.206 -9.113 1.00 0.74 H new ATOM 0 HB2 SER A 22 -22.026 7.412 -7.813 1.00 1.62 H new ATOM 0 HB3 SER A 22 -20.571 7.359 -8.788 1.00 1.62 H new ATOM 0 HG SER A 22 -22.281 8.547 -9.826 1.00 1.86 H new ATOM 364 N TRP A 23 -20.241 5.663 -10.701 1.00 0.69 N ATOM 365 CA TRP A 23 -19.226 5.237 -11.677 1.00 0.41 C ATOM 366 C TRP A 23 -17.856 5.182 -10.990 1.00 0.40 C ATOM 367 O TRP A 23 -17.117 6.168 -10.978 1.00 0.55 O ATOM 368 CB TRP A 23 -19.193 6.208 -12.878 1.00 0.43 C ATOM 369 CG TRP A 23 -20.124 5.803 -13.986 1.00 0.40 C ATOM 370 CD1 TRP A 23 -21.218 6.489 -14.439 1.00 0.45 C ATOM 371 CD2 TRP A 23 -20.037 4.603 -14.784 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.797 5.772 -15.450 1.00 0.42 N ATOM 373 CE2 TRP A 23 -21.108 4.621 -15.686 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.160 3.516 -14.816 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.314 3.596 -16.601 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.358 2.491 -15.724 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.427 2.529 -16.610 1.00 0.31 C ATOM 0 H TRP A 23 -20.622 6.593 -10.877 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.479 4.245 -12.052 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.457 7.209 -12.536 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -18.176 6.262 -13.267 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.566 7.439 -14.061 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.633 6.061 -15.959 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.326 3.476 -14.131 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.145 3.629 -17.289 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.676 1.654 -15.744 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.569 1.721 -17.312 1.00 0.31 H new ATOM 388 N HIS A 24 -17.545 4.033 -10.387 1.00 0.37 N ATOM 389 CA HIS A 24 -16.293 3.833 -9.655 1.00 0.45 C ATOM 390 C HIS A 24 -15.364 2.884 -10.421 1.00 0.36 C ATOM 391 O HIS A 24 -15.804 1.859 -10.946 1.00 0.34 O ATOM 392 CB HIS A 24 -16.624 3.252 -8.268 1.00 0.61 C ATOM 393 CG HIS A 24 -15.470 3.269 -7.315 1.00 1.18 C ATOM 394 ND1 HIS A 24 -15.214 4.304 -6.455 1.00 2.08 N ATOM 395 CD2 HIS A 24 -14.488 2.368 -7.081 1.00 1.66 C ATOM 396 CE1 HIS A 24 -14.148 4.066 -5.733 1.00 2.98 C ATOM 397 NE2 HIS A 24 -13.671 2.883 -6.089 1.00 2.74 N ATOM 0 H HIS A 24 -18.154 3.215 -10.392 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.778 4.787 -9.545 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -17.449 3.817 -7.835 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -16.969 2.225 -8.388 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -15.780 5.150 -6.386 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -14.364 1.418 -7.579 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -13.731 4.719 -4.980 1.00 2.98 H new ATOM 405 N ASN A 25 -14.070 3.212 -10.446 1.00 0.37 N ATOM 406 CA ASN A 25 -13.061 2.379 -11.110 1.00 0.35 C ATOM 407 C ASN A 25 -12.606 1.305 -10.119 1.00 0.34 C ATOM 408 O ASN A 25 -11.957 1.613 -9.114 1.00 0.55 O ATOM 409 CB ASN A 25 -11.872 3.247 -11.565 1.00 0.44 C ATOM 410 CG ASN A 25 -10.985 2.492 -12.566 1.00 0.99 C ATOM 411 OD1 ASN A 25 -11.476 1.723 -13.394 1.00 1.71 O ATOM 412 ND2 ASN A 25 -9.681 2.725 -12.506 1.00 1.49 N ATOM 0 H ASN A 25 -13.693 4.054 -10.011 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.481 1.906 -11.997 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -12.242 4.164 -12.023 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.279 3.540 -10.698 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -9.049 2.261 -13.159 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -9.309 3.368 -11.807 1.00 1.49 H new ATOM 419 N VAL A 26 -12.987 0.059 -10.386 1.00 0.22 N ATOM 420 CA VAL A 26 -12.666 -1.070 -9.509 1.00 0.21 C ATOM 421 C VAL A 26 -11.902 -2.155 -10.276 1.00 0.18 C ATOM 422 O VAL A 26 -11.933 -2.205 -11.509 1.00 0.23 O ATOM 423 CB VAL A 26 -13.978 -1.623 -8.912 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.740 -2.490 -9.920 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.714 -2.406 -7.628 1.00 0.31 C ATOM 0 H VAL A 26 -13.525 -0.199 -11.213 1.00 0.22 H new ATOM 0 HA VAL A 26 -12.018 -0.734 -8.700 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.604 -0.764 -8.669 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.657 -2.860 -9.462 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -14.988 -1.894 -10.798 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.117 -3.334 -10.218 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.657 -2.783 -7.231 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.050 -3.243 -7.842 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.247 -1.752 -6.892 1.00 0.31 H new ATOM 435 N TYR A 27 -11.226 -3.027 -9.534 1.00 0.16 N ATOM 436 CA TYR A 27 -10.454 -4.128 -10.110 1.00 0.16 C ATOM 437 C TYR A 27 -11.246 -5.429 -9.970 1.00 0.19 C ATOM 438 O TYR A 27 -11.480 -5.905 -8.857 1.00 0.34 O ATOM 439 CB TYR A 27 -9.104 -4.225 -9.389 1.00 0.17 C ATOM 440 CG TYR A 27 -8.080 -5.069 -10.114 1.00 0.18 C ATOM 441 CD1 TYR A 27 -8.004 -6.430 -9.869 1.00 0.26 C ATOM 442 CD2 TYR A 27 -7.219 -4.488 -11.028 1.00 0.28 C ATOM 443 CE1 TYR A 27 -7.076 -7.205 -10.541 1.00 0.30 C ATOM 444 CE2 TYR A 27 -6.291 -5.265 -11.699 1.00 0.33 C ATOM 445 CZ TYR A 27 -6.195 -6.605 -11.428 1.00 0.29 C ATOM 446 OH TYR A 27 -5.299 -7.388 -12.119 1.00 0.37 O ATOM 0 H TYR A 27 -11.197 -2.992 -8.515 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.271 -3.949 -11.170 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.702 -3.221 -9.254 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.264 -4.641 -8.394 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -8.670 -6.887 -9.152 1.00 0.26 H new ATOM 0 HD2 TYR A 27 -7.271 -3.426 -11.218 1.00 0.28 H new ATOM 0 HE1 TYR A 27 -7.038 -8.272 -10.376 1.00 0.30 H new ATOM 0 HE2 TYR A 27 -5.642 -4.815 -12.436 1.00 0.33 H new ATOM 0 HH TYR A 27 -4.751 -6.822 -12.702 1.00 0.37 H new ATOM 456 N CYS A 28 -11.671 -5.990 -11.101 1.00 0.16 N ATOM 457 CA CYS A 28 -12.453 -7.229 -11.118 1.00 0.19 C ATOM 458 C CYS A 28 -11.562 -8.425 -11.467 1.00 0.19 C ATOM 459 O CYS A 28 -10.697 -8.333 -12.340 1.00 0.23 O ATOM 460 CB CYS A 28 -13.593 -7.105 -12.135 1.00 0.23 C ATOM 461 SG CYS A 28 -14.644 -5.671 -11.831 1.00 0.34 S ATOM 0 H CYS A 28 -11.486 -5.603 -12.026 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.872 -7.393 -10.125 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -13.173 -7.036 -13.139 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.201 -8.009 -12.105 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.477 -5.940 -10.870 1.00 0.34 H new ATOM 467 N VAL A 29 -11.782 -9.542 -10.770 1.00 0.21 N ATOM 468 CA VAL A 29 -11.014 -10.780 -10.981 1.00 0.24 C ATOM 469 C VAL A 29 -11.971 -11.965 -11.070 1.00 0.26 C ATOM 470 O VAL A 29 -12.746 -12.210 -10.141 1.00 0.38 O ATOM 471 CB VAL A 29 -10.028 -10.997 -9.817 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.243 -12.303 -9.996 1.00 0.37 C ATOM 473 CG2 VAL A 29 -9.069 -9.814 -9.684 1.00 0.33 C ATOM 0 H VAL A 29 -12.495 -9.618 -10.044 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.451 -10.695 -11.911 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.611 -11.071 -8.899 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.555 -12.431 -9.161 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -9.937 -13.143 -10.027 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.679 -12.264 -10.928 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.384 -9.992 -8.855 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.500 -9.701 -10.607 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.638 -8.904 -9.495 1.00 0.33 H new ATOM 483 N ILE A 30 -11.906 -12.705 -12.178 1.00 0.28 N ATOM 484 CA ILE A 30 -12.761 -13.882 -12.386 1.00 0.32 C ATOM 485 C ILE A 30 -12.059 -15.134 -11.849 1.00 0.35 C ATOM 486 O ILE A 30 -10.849 -15.300 -12.017 1.00 0.44 O ATOM 487 CB ILE A 30 -13.094 -14.048 -13.881 1.00 0.40 C ATOM 488 CG1 ILE A 30 -13.578 -12.712 -14.472 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.152 -15.142 -14.083 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.377 -12.913 -15.758 1.00 0.57 C ATOM 0 H ILE A 30 -11.268 -12.511 -12.950 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.696 -13.742 -11.843 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.187 -14.351 -14.405 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.195 -12.193 -13.739 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -12.719 -12.073 -14.675 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.373 -15.243 -15.146 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -13.774 -16.089 -13.699 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.062 -14.871 -13.548 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.699 -11.945 -16.141 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -13.752 -13.408 -16.501 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -15.251 -13.530 -15.551 1.00 0.57 H new ATOM 502 N ASN A 31 -12.825 -16.003 -11.196 1.00 0.46 N ATOM 503 CA ASN A 31 -12.298 -17.243 -10.621 1.00 0.58 C ATOM 504 C ASN A 31 -13.341 -18.353 -10.771 1.00 0.71 C ATOM 505 O ASN A 31 -14.138 -18.602 -9.866 1.00 1.20 O ATOM 506 CB ASN A 31 -11.940 -17.018 -9.137 1.00 0.73 C ATOM 507 CG ASN A 31 -11.110 -18.182 -8.582 1.00 0.93 C ATOM 508 OD1 ASN A 31 -10.128 -18.604 -9.192 1.00 1.27 O ATOM 509 ND2 ASN A 31 -11.502 -18.699 -7.425 1.00 1.47 N ATOM 0 H ASN A 31 -13.826 -15.871 -11.049 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.392 -17.542 -11.148 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -11.382 -16.088 -9.032 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -12.854 -16.909 -8.553 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -10.984 -19.474 -7.011 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -12.322 -18.322 -6.949 1.00 1.47 H new ATOM 516 N ASN A 32 -13.338 -19.002 -11.938 1.00 0.85 N ATOM 517 CA ASN A 32 -14.275 -20.089 -12.261 1.00 1.00 C ATOM 518 C ASN A 32 -15.716 -19.555 -12.338 1.00 1.00 C ATOM 519 O ASN A 32 -16.015 -18.701 -13.176 1.00 1.97 O ATOM 520 CB ASN A 32 -14.134 -21.247 -11.241 1.00 1.24 C ATOM 521 CG ASN A 32 -14.662 -22.559 -11.830 1.00 1.73 C ATOM 522 OD1 ASN A 32 -15.777 -22.983 -11.529 1.00 2.06 O ATOM 523 ND2 ASN A 32 -13.861 -23.202 -12.664 1.00 2.52 N ATOM 0 H ASN A 32 -12.684 -18.790 -12.691 1.00 0.85 H new ATOM 0 HA ASN A 32 -14.027 -20.491 -13.243 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -13.087 -21.365 -10.960 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -14.683 -21.005 -10.331 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -14.161 -24.082 -13.083 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -12.943 -22.817 -12.888 1.00 2.52 H new ATOM 530 N GLN A 33 -16.598 -20.044 -11.465 1.00 0.75 N ATOM 531 CA GLN A 33 -18.002 -19.607 -11.435 1.00 0.67 C ATOM 532 C GLN A 33 -18.203 -18.496 -10.392 1.00 0.56 C ATOM 533 O GLN A 33 -19.342 -18.252 -9.941 1.00 0.71 O ATOM 534 CB GLN A 33 -18.916 -20.807 -11.128 1.00 0.83 C ATOM 535 CG GLN A 33 -20.299 -20.661 -11.783 1.00 1.46 C ATOM 536 CD GLN A 33 -20.216 -20.910 -13.290 1.00 1.85 C ATOM 537 OE1 GLN A 33 -19.696 -21.934 -13.730 1.00 2.11 O ATOM 538 NE2 GLN A 33 -20.723 -19.979 -14.085 1.00 2.67 N ATOM 0 H GLN A 33 -16.366 -20.747 -10.764 1.00 0.75 H new ATOM 0 HA GLN A 33 -18.264 -19.203 -12.413 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -18.442 -21.723 -11.482 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -19.035 -20.905 -10.049 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -20.996 -21.366 -11.331 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -20.691 -19.661 -11.596 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -21.147 -19.142 -13.685 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -20.689 -20.099 -15.097 1.00 2.67 H new ATOM 547 N GLU A 34 -17.095 -17.814 -10.029 1.00 0.53 N ATOM 548 CA GLU A 34 -17.120 -16.721 -9.059 1.00 0.49 C ATOM 549 C GLU A 34 -16.184 -15.602 -9.519 1.00 0.45 C ATOM 550 O GLU A 34 -15.392 -15.776 -10.445 1.00 0.64 O ATOM 551 CB GLU A 34 -16.691 -17.227 -7.671 1.00 0.61 C ATOM 552 CG GLU A 34 -17.887 -17.717 -6.851 1.00 1.25 C ATOM 553 CD GLU A 34 -17.425 -18.190 -5.481 1.00 1.42 C ATOM 554 OE1 GLU A 34 -16.754 -19.237 -5.407 1.00 1.89 O ATOM 555 OE2 GLU A 34 -17.717 -17.507 -4.480 1.00 1.79 O ATOM 0 H GLU A 34 -16.167 -18.012 -10.404 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.137 -16.334 -8.989 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -15.972 -18.038 -7.786 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -16.185 -16.426 -7.132 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -18.615 -16.913 -6.740 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -18.388 -18.531 -7.375 1.00 1.25 H new ATOM 562 N MET A 35 -16.275 -14.465 -8.851 1.00 0.36 N ATOM 563 CA MET A 35 -15.444 -13.301 -9.150 1.00 0.35 C ATOM 564 C MET A 35 -15.391 -12.399 -7.917 1.00 0.32 C ATOM 565 O MET A 35 -16.265 -12.475 -7.047 1.00 0.42 O ATOM 566 CB MET A 35 -15.973 -12.537 -10.373 1.00 0.41 C ATOM 567 CG MET A 35 -17.444 -12.151 -10.230 1.00 0.43 C ATOM 568 SD MET A 35 -18.073 -11.315 -11.699 1.00 0.60 S ATOM 569 CE MET A 35 -17.554 -9.619 -11.388 1.00 1.25 C ATOM 0 H MET A 35 -16.929 -14.318 -8.082 1.00 0.36 H new ATOM 0 HA MET A 35 -14.436 -13.635 -9.397 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.377 -11.636 -10.520 1.00 0.41 H new ATOM 0 HB3 MET A 35 -15.847 -13.152 -11.264 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.036 -13.046 -10.042 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.565 -11.501 -9.364 1.00 0.43 H new ATOM 0 HE1 MET A 35 -18.365 -8.937 -11.645 1.00 1.25 H new ATOM 0 HE2 MET A 35 -17.303 -9.503 -10.334 1.00 1.25 H new ATOM 0 HE3 MET A 35 -16.680 -9.389 -11.997 1.00 1.25 H new ATOM 579 N GLY A 36 -14.361 -11.565 -7.829 1.00 0.27 N ATOM 580 CA GLY A 36 -14.184 -10.671 -6.684 1.00 0.29 C ATOM 581 C GLY A 36 -13.896 -9.238 -7.121 1.00 0.25 C ATOM 582 O GLY A 36 -13.220 -9.006 -8.130 1.00 0.28 O ATOM 0 H GLY A 36 -13.632 -11.487 -8.538 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -15.082 -10.689 -6.067 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.364 -11.033 -6.064 1.00 0.29 H new ATOM 586 N PHE A 37 -14.399 -8.286 -6.334 1.00 0.24 N ATOM 587 CA PHE A 37 -14.205 -6.851 -6.581 1.00 0.25 C ATOM 588 C PHE A 37 -13.153 -6.310 -5.607 1.00 0.25 C ATOM 589 O PHE A 37 -13.416 -6.196 -4.405 1.00 0.40 O ATOM 590 CB PHE A 37 -15.527 -6.101 -6.385 1.00 0.30 C ATOM 591 CG PHE A 37 -16.547 -6.393 -7.463 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.538 -5.666 -8.643 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.499 -7.384 -7.271 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.480 -5.922 -9.622 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.439 -7.642 -8.255 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.428 -6.911 -9.430 1.00 0.33 C ATOM 0 H PHE A 37 -14.955 -8.486 -5.503 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.866 -6.703 -7.606 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.947 -6.367 -5.415 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.329 -5.029 -6.363 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.794 -4.899 -8.798 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.507 -7.954 -6.354 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.476 -5.349 -10.538 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.180 -8.413 -8.105 1.00 0.45 H new ATOM 0 HZ PHE A 37 -19.160 -7.113 -10.198 1.00 0.33 H new ATOM 606 N TYR A 38 -11.963 -6.003 -6.126 1.00 0.20 N ATOM 607 CA TYR A 38 -10.848 -5.499 -5.308 1.00 0.21 C ATOM 608 C TYR A 38 -10.433 -4.084 -5.723 1.00 0.21 C ATOM 609 O TYR A 38 -10.985 -3.498 -6.659 1.00 0.23 O ATOM 610 CB TYR A 38 -9.655 -6.453 -5.440 1.00 0.23 C ATOM 611 CG TYR A 38 -9.996 -7.880 -5.073 1.00 0.27 C ATOM 612 CD1 TYR A 38 -9.929 -8.294 -3.754 1.00 0.42 C ATOM 613 CD2 TYR A 38 -10.379 -8.775 -6.056 1.00 0.27 C ATOM 614 CE1 TYR A 38 -10.243 -9.600 -3.419 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.692 -10.083 -5.723 1.00 0.35 C ATOM 616 CZ TYR A 38 -10.615 -10.490 -4.400 1.00 0.44 C ATOM 617 OH TYR A 38 -10.935 -11.788 -4.064 1.00 0.55 O ATOM 0 H TYR A 38 -11.741 -6.094 -7.117 1.00 0.20 H new ATOM 0 HA TYR A 38 -11.179 -5.452 -4.271 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.287 -6.426 -6.466 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.845 -6.103 -4.801 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -9.631 -7.597 -2.985 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -10.434 -8.453 -7.086 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -10.196 -9.920 -2.389 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.994 -10.781 -6.489 1.00 0.35 H new ATOM 0 HH TYR A 38 -11.177 -12.285 -4.873 1.00 0.55 H new ATOM 627 N LYS A 39 -9.443 -3.540 -5.012 1.00 0.25 N ATOM 628 CA LYS A 39 -8.920 -2.194 -5.274 1.00 0.29 C ATOM 629 C LYS A 39 -8.052 -2.190 -6.539 1.00 0.28 C ATOM 630 O LYS A 39 -8.279 -1.403 -7.457 1.00 0.33 O ATOM 631 CB LYS A 39 -8.105 -1.724 -4.061 1.00 0.36 C ATOM 632 CG LYS A 39 -7.795 -0.226 -4.110 1.00 0.70 C ATOM 633 CD LYS A 39 -6.969 0.194 -2.892 1.00 1.15 C ATOM 634 CE LYS A 39 -6.715 1.702 -2.863 1.00 1.82 C ATOM 635 NZ LYS A 39 -5.978 2.162 -4.077 1.00 2.51 N ATOM 0 H LYS A 39 -8.981 -4.018 -4.239 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.753 -1.510 -5.436 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.656 -1.948 -3.148 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.171 -2.284 -4.015 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -7.250 0.008 -5.024 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -8.725 0.342 -4.139 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -7.489 -0.103 -1.981 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -6.015 -0.334 -2.901 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -7.666 2.230 -2.793 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -6.142 1.957 -1.971 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -5.705 3.159 -3.961 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -5.124 1.582 -4.205 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -6.590 2.066 -4.912 1.00 2.51 H new ATOM 649 N ASP A 40 -7.058 -3.075 -6.569 1.00 0.28 N ATOM 650 CA ASP A 40 -6.134 -3.203 -7.703 1.00 0.32 C ATOM 651 C ASP A 40 -5.606 -4.641 -7.798 1.00 0.33 C ATOM 652 O ASP A 40 -6.153 -5.561 -7.179 1.00 0.32 O ATOM 653 CB ASP A 40 -4.969 -2.192 -7.565 1.00 0.38 C ATOM 654 CG ASP A 40 -3.958 -2.598 -6.480 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.344 -3.289 -5.515 1.00 0.84 O ATOM 656 OD2 ASP A 40 -2.771 -2.225 -6.599 1.00 0.94 O ATOM 0 H ASP A 40 -6.867 -3.727 -5.808 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.672 -2.976 -8.624 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.454 -2.104 -8.522 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.373 -1.208 -7.329 1.00 0.38 H new ATOM 661 N ALA A 41 -4.533 -4.824 -8.570 1.00 0.40 N ATOM 662 CA ALA A 41 -3.905 -6.142 -8.759 1.00 0.45 C ATOM 663 C ALA A 41 -3.347 -6.697 -7.439 1.00 0.45 C ATOM 664 O ALA A 41 -3.493 -7.885 -7.153 1.00 0.47 O ATOM 665 CB ALA A 41 -2.785 -6.040 -9.800 1.00 0.55 C ATOM 0 H ALA A 41 -4.074 -4.070 -9.081 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.671 -6.832 -9.113 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.324 -7.018 -9.936 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.200 -5.700 -10.749 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -2.033 -5.329 -9.457 1.00 0.55 H new ATOM 671 N LYS A 42 -2.728 -5.828 -6.633 1.00 0.46 N ATOM 672 CA LYS A 42 -2.166 -6.225 -5.332 1.00 0.48 C ATOM 673 C LYS A 42 -3.288 -6.595 -4.358 1.00 0.43 C ATOM 674 O LYS A 42 -3.182 -7.573 -3.622 1.00 0.47 O ATOM 675 CB LYS A 42 -1.307 -5.088 -4.760 1.00 0.54 C ATOM 676 CG LYS A 42 0.088 -5.073 -5.400 1.00 0.77 C ATOM 677 CD LYS A 42 0.807 -3.727 -5.212 1.00 1.12 C ATOM 678 CE LYS A 42 0.547 -3.116 -3.832 1.00 1.96 C ATOM 679 NZ LYS A 42 0.974 -4.021 -2.727 1.00 2.76 N ATOM 0 H LYS A 42 -2.602 -4.841 -6.857 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.533 -7.101 -5.474 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -1.801 -4.132 -4.935 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -1.214 -5.206 -3.680 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.693 -5.868 -4.964 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.002 -5.288 -6.465 1.00 0.77 H new ATOM 0 HD2 LYS A 42 1.879 -3.868 -5.348 1.00 1.12 H new ATOM 0 HD3 LYS A 42 0.477 -3.031 -5.983 1.00 1.12 H new ATOM 0 HE2 LYS A 42 1.079 -2.168 -3.750 1.00 1.96 H new ATOM 0 HE3 LYS A 42 -0.515 -2.895 -3.729 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 0.136 -4.360 -2.212 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 1.489 -4.833 -3.123 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 1.595 -3.502 -2.074 1.00 2.76 H new ATOM 693 N SER A 43 -4.375 -5.823 -4.386 1.00 0.38 N ATOM 694 CA SER A 43 -5.543 -6.074 -3.533 1.00 0.38 C ATOM 695 C SER A 43 -6.156 -7.444 -3.878 1.00 0.39 C ATOM 696 O SER A 43 -6.574 -8.191 -2.991 1.00 0.45 O ATOM 697 CB SER A 43 -6.567 -4.956 -3.740 1.00 0.37 C ATOM 698 OG SER A 43 -7.603 -5.006 -2.770 1.00 1.04 O ATOM 0 H SER A 43 -4.473 -5.011 -4.995 1.00 0.38 H new ATOM 0 HA SER A 43 -5.241 -6.087 -2.486 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.066 -3.989 -3.688 1.00 0.37 H new ATOM 0 HB3 SER A 43 -6.998 -5.038 -4.738 1.00 0.37 H new ATOM 0 HG SER A 43 -7.829 -4.096 -2.485 1.00 1.04 H new ATOM 704 N ALA A 44 -6.182 -7.758 -5.178 1.00 0.37 N ATOM 705 CA ALA A 44 -6.712 -9.024 -5.681 1.00 0.43 C ATOM 706 C ALA A 44 -5.761 -10.184 -5.363 1.00 0.51 C ATOM 707 O ALA A 44 -6.193 -11.245 -4.914 1.00 0.59 O ATOM 708 CB ALA A 44 -6.926 -8.932 -7.195 1.00 0.43 C ATOM 0 H ALA A 44 -5.835 -7.138 -5.910 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.665 -9.216 -5.187 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -7.321 -9.878 -7.565 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.634 -8.133 -7.415 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.976 -8.720 -7.685 1.00 0.43 H new ATOM 714 N ALA A 45 -4.462 -9.971 -5.603 1.00 0.54 N ATOM 715 CA ALA A 45 -3.431 -10.989 -5.351 1.00 0.64 C ATOM 716 C ALA A 45 -3.297 -11.269 -3.850 1.00 0.68 C ATOM 717 O ALA A 45 -3.413 -12.416 -3.411 1.00 0.76 O ATOM 718 CB ALA A 45 -2.087 -10.525 -5.925 1.00 0.69 C ATOM 0 H ALA A 45 -4.096 -9.095 -5.975 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.730 -11.914 -5.845 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -1.328 -11.284 -5.734 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -2.184 -10.371 -7.000 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.792 -9.590 -5.449 1.00 0.69 H new ATOM 724 N SER A 46 -3.065 -10.212 -3.068 1.00 0.65 N ATOM 725 CA SER A 46 -2.925 -10.325 -1.606 1.00 0.73 C ATOM 726 C SER A 46 -4.243 -10.799 -0.966 1.00 0.74 C ATOM 727 O SER A 46 -4.236 -11.554 0.011 1.00 0.84 O ATOM 728 CB SER A 46 -2.498 -8.970 -1.010 1.00 0.75 C ATOM 729 OG SER A 46 -1.858 -9.144 0.250 1.00 1.21 O ATOM 0 H SER A 46 -2.969 -9.260 -3.422 1.00 0.65 H new ATOM 0 HA SER A 46 -2.155 -11.066 -1.389 1.00 0.73 H new ATOM 0 HB2 SER A 46 -1.822 -8.463 -1.698 1.00 0.75 H new ATOM 0 HB3 SER A 46 -3.372 -8.329 -0.892 1.00 0.75 H new ATOM 0 HG SER A 46 -1.595 -8.270 0.607 1.00 1.21 H new ATOM 735 N GLY A 47 -5.367 -10.359 -1.533 1.00 0.70 N ATOM 736 CA GLY A 47 -6.694 -10.732 -1.043 1.00 0.74 C ATOM 737 C GLY A 47 -7.141 -9.803 0.082 1.00 0.75 C ATOM 738 O GLY A 47 -7.268 -10.224 1.234 1.00 0.88 O ATOM 0 H GLY A 47 -5.383 -9.737 -2.341 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -7.413 -10.691 -1.861 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -6.678 -11.761 -0.685 1.00 0.74 H new ATOM 742 N ILE A 48 -7.379 -8.538 -0.264 1.00 0.67 N ATOM 743 CA ILE A 48 -7.825 -7.520 0.693 1.00 0.72 C ATOM 744 C ILE A 48 -9.283 -7.156 0.385 1.00 0.75 C ATOM 745 O ILE A 48 -9.610 -6.811 -0.752 1.00 0.75 O ATOM 746 CB ILE A 48 -6.927 -6.272 0.592 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.480 -6.613 0.977 1.00 0.78 C ATOM 748 CG2 ILE A 48 -7.449 -5.141 1.484 1.00 0.82 C ATOM 749 CD1 ILE A 48 -4.502 -5.549 0.484 1.00 0.97 C ATOM 0 H ILE A 48 -7.269 -8.188 -1.216 1.00 0.67 H new ATOM 0 HA ILE A 48 -7.755 -7.910 1.708 1.00 0.72 H new ATOM 0 HB ILE A 48 -6.949 -5.933 -0.444 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -5.403 -6.705 2.060 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -5.209 -7.581 0.555 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -6.795 -4.274 1.392 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -8.458 -4.869 1.174 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -7.466 -5.474 2.522 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -3.488 -5.824 0.775 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -4.561 -5.476 -0.602 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -4.758 -4.586 0.927 1.00 0.97 H new ATOM 761 N PRO A 49 -10.187 -7.230 1.386 1.00 0.84 N ATOM 762 CA PRO A 49 -11.613 -6.903 1.188 1.00 0.93 C ATOM 763 C PRO A 49 -11.834 -5.396 0.977 1.00 0.93 C ATOM 764 O PRO A 49 -12.053 -4.643 1.928 1.00 1.08 O ATOM 765 CB PRO A 49 -12.288 -7.406 2.466 1.00 1.07 C ATOM 766 CG PRO A 49 -11.213 -7.410 3.502 1.00 1.06 C ATOM 767 CD PRO A 49 -9.907 -7.641 2.776 1.00 0.92 C ATOM 0 HA PRO A 49 -12.024 -7.366 0.291 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -13.113 -6.756 2.757 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -12.703 -8.404 2.325 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -11.193 -6.463 4.042 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -11.389 -8.193 4.239 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -9.100 -7.051 3.211 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -9.602 -8.686 2.828 1.00 0.92 H new ATOM 775 N TYR A 50 -11.748 -4.971 -0.284 1.00 0.87 N ATOM 776 CA TYR A 50 -11.913 -3.563 -0.663 1.00 0.91 C ATOM 777 C TYR A 50 -13.380 -3.136 -0.529 1.00 1.12 C ATOM 778 O TYR A 50 -13.707 -2.253 0.266 1.00 1.91 O ATOM 779 CB TYR A 50 -11.427 -3.359 -2.106 1.00 0.92 C ATOM 780 CG TYR A 50 -11.504 -1.922 -2.573 1.00 0.94 C ATOM 781 CD1 TYR A 50 -10.854 -0.926 -1.861 1.00 1.02 C ATOM 782 CD2 TYR A 50 -12.222 -1.599 -3.710 1.00 1.13 C ATOM 783 CE1 TYR A 50 -10.927 0.389 -2.286 1.00 1.13 C ATOM 784 CE2 TYR A 50 -12.293 -0.284 -4.133 1.00 1.24 C ATOM 785 CZ TYR A 50 -11.642 0.699 -3.431 1.00 1.17 C ATOM 786 OH TYR A 50 -11.724 2.008 -3.838 1.00 1.34 O ATOM 0 H TYR A 50 -11.562 -5.591 -1.073 1.00 0.87 H new ATOM 0 HA TYR A 50 -11.317 -2.944 0.007 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -10.396 -3.703 -2.185 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -12.023 -3.982 -2.773 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -10.290 -1.176 -0.974 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -12.727 -2.374 -4.268 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -10.430 1.169 -1.728 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -12.861 -0.031 -5.016 1.00 1.24 H new ATOM 0 HH TYR A 50 -12.389 2.087 -4.554 1.00 1.34 H new ATOM 796 N HIS A 51 -14.254 -3.779 -1.305 1.00 1.28 N ATOM 797 CA HIS A 51 -15.698 -3.488 -1.280 1.00 1.53 C ATOM 798 C HIS A 51 -16.351 -4.168 -0.069 1.00 1.61 C ATOM 799 O HIS A 51 -15.704 -4.939 0.647 1.00 2.07 O ATOM 800 CB HIS A 51 -16.356 -4.005 -2.580 1.00 2.01 C ATOM 801 CG HIS A 51 -16.401 -2.999 -3.689 1.00 2.54 C ATOM 802 ND1 HIS A 51 -17.251 -3.109 -4.757 1.00 3.19 N ATOM 803 CD2 HIS A 51 -15.704 -1.856 -3.914 1.00 2.89 C ATOM 804 CE1 HIS A 51 -17.102 -2.105 -5.586 1.00 3.87 C ATOM 805 NE2 HIS A 51 -16.158 -1.314 -5.103 1.00 3.74 N ATOM 0 H HIS A 51 -13.990 -4.511 -1.965 1.00 1.28 H new ATOM 0 HA HIS A 51 -15.841 -2.410 -1.204 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -15.812 -4.884 -2.924 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -17.373 -4.327 -2.356 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -14.934 -1.444 -3.279 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -17.653 -1.951 -6.502 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -15.822 -0.452 -5.533 1.00 3.74 H new ATOM 813 N SER A 52 -17.641 -3.906 0.137 1.00 1.60 N ATOM 814 CA SER A 52 -18.394 -4.520 1.237 1.00 1.96 C ATOM 815 C SER A 52 -18.750 -5.961 0.850 1.00 1.85 C ATOM 816 O SER A 52 -18.519 -6.900 1.610 1.00 2.45 O ATOM 817 CB SER A 52 -19.664 -3.710 1.532 1.00 2.44 C ATOM 818 OG SER A 52 -19.379 -2.315 1.587 1.00 2.65 O ATOM 0 H SER A 52 -18.190 -3.272 -0.443 1.00 1.60 H new ATOM 0 HA SER A 52 -17.784 -4.527 2.140 1.00 1.96 H new ATOM 0 HB2 SER A 52 -20.410 -3.902 0.760 1.00 2.44 H new ATOM 0 HB3 SER A 52 -20.095 -4.034 2.479 1.00 2.44 H new ATOM 0 HG SER A 52 -20.204 -1.820 1.774 1.00 2.65 H new ATOM 824 N GLU A 53 -19.282 -6.111 -0.363 1.00 1.45 N ATOM 825 CA GLU A 53 -19.652 -7.412 -0.921 1.00 1.37 C ATOM 826 C GLU A 53 -18.663 -7.753 -2.035 1.00 1.08 C ATOM 827 O GLU A 53 -18.963 -7.603 -3.219 1.00 1.24 O ATOM 828 CB GLU A 53 -21.084 -7.353 -1.464 1.00 1.73 C ATOM 829 CG GLU A 53 -22.071 -6.903 -0.380 1.00 2.39 C ATOM 830 CD GLU A 53 -23.386 -7.656 -0.511 1.00 2.88 C ATOM 831 OE1 GLU A 53 -24.145 -7.372 -1.457 1.00 3.46 O ATOM 832 OE2 GLU A 53 -23.655 -8.542 0.326 1.00 3.23 O ATOM 0 H GLU A 53 -19.470 -5.329 -0.990 1.00 1.45 H new ATOM 0 HA GLU A 53 -19.614 -8.184 -0.152 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -21.128 -6.664 -2.308 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -21.374 -8.335 -1.839 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -21.642 -7.078 0.606 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -22.249 -5.831 -0.464 1.00 2.39 H new ATOM 839 N VAL A 54 -17.461 -8.166 -1.635 1.00 0.84 N ATOM 840 CA VAL A 54 -16.384 -8.486 -2.577 1.00 0.66 C ATOM 841 C VAL A 54 -16.664 -9.766 -3.390 1.00 0.55 C ATOM 842 O VAL A 54 -16.595 -9.724 -4.616 1.00 0.49 O ATOM 843 CB VAL A 54 -15.043 -8.580 -1.820 1.00 0.81 C ATOM 844 CG1 VAL A 54 -13.930 -9.149 -2.706 1.00 0.77 C ATOM 845 CG2 VAL A 54 -14.638 -7.201 -1.291 1.00 1.34 C ATOM 0 H VAL A 54 -17.205 -8.288 -0.655 1.00 0.84 H new ATOM 0 HA VAL A 54 -16.328 -7.677 -3.305 1.00 0.66 H new ATOM 0 HB VAL A 54 -15.184 -9.263 -0.982 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -13.002 -9.199 -2.137 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -14.206 -10.149 -3.039 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -13.789 -8.504 -3.573 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -13.690 -7.280 -0.759 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -14.529 -6.509 -2.126 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -15.406 -6.832 -0.612 1.00 1.34 H new ATOM 855 N PRO A 55 -16.970 -10.921 -2.743 1.00 0.62 N ATOM 856 CA PRO A 55 -17.227 -12.184 -3.474 1.00 0.59 C ATOM 857 C PRO A 55 -18.616 -12.224 -4.138 1.00 0.58 C ATOM 858 O PRO A 55 -19.636 -12.097 -3.462 1.00 0.83 O ATOM 859 CB PRO A 55 -17.113 -13.258 -2.393 1.00 0.76 C ATOM 860 CG PRO A 55 -17.427 -12.568 -1.106 1.00 0.87 C ATOM 861 CD PRO A 55 -17.068 -11.112 -1.277 1.00 0.83 C ATOM 0 HA PRO A 55 -16.526 -12.316 -4.299 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -17.809 -14.076 -2.579 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -16.112 -13.689 -2.373 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -18.483 -12.677 -0.860 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -16.861 -13.009 -0.286 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -17.828 -10.463 -0.843 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -16.126 -10.875 -0.782 1.00 0.83 H new ATOM 869 N VAL A 56 -18.635 -12.418 -5.456 1.00 0.41 N ATOM 870 CA VAL A 56 -19.874 -12.503 -6.239 1.00 0.43 C ATOM 871 C VAL A 56 -19.813 -13.737 -7.144 1.00 0.42 C ATOM 872 O VAL A 56 -18.779 -14.022 -7.753 1.00 0.43 O ATOM 873 CB VAL A 56 -20.061 -11.215 -7.071 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.165 -11.376 -8.126 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.375 -10.031 -6.154 1.00 0.63 C ATOM 0 H VAL A 56 -17.789 -12.522 -6.016 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.729 -12.599 -5.570 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.125 -11.023 -7.596 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.267 -10.449 -8.691 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -20.904 -12.188 -8.805 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.109 -11.605 -7.632 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.504 -9.130 -6.754 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -21.292 -10.233 -5.600 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.553 -9.885 -5.453 1.00 0.63 H new ATOM 885 N SER A 57 -20.919 -14.478 -7.216 1.00 0.47 N ATOM 886 CA SER A 57 -21.003 -15.688 -8.022 1.00 0.48 C ATOM 887 C SER A 57 -21.443 -15.363 -9.456 1.00 0.46 C ATOM 888 O SER A 57 -22.385 -14.593 -9.667 1.00 0.59 O ATOM 889 CB SER A 57 -21.999 -16.652 -7.371 1.00 0.61 C ATOM 890 OG SER A 57 -22.100 -16.438 -5.962 1.00 0.91 O ATOM 0 H SER A 57 -21.779 -14.253 -6.716 1.00 0.47 H new ATOM 0 HA SER A 57 -20.017 -16.151 -8.072 1.00 0.48 H new ATOM 0 HB2 SER A 57 -22.980 -16.526 -7.829 1.00 0.61 H new ATOM 0 HB3 SER A 57 -21.688 -17.679 -7.561 1.00 0.61 H new ATOM 0 HG SER A 57 -22.745 -17.069 -5.581 1.00 0.91 H new ATOM 896 N LEU A 58 -20.780 -15.984 -10.435 1.00 0.44 N ATOM 897 CA LEU A 58 -21.110 -15.801 -11.854 1.00 0.49 C ATOM 898 C LEU A 58 -22.178 -16.831 -12.242 1.00 0.60 C ATOM 899 O LEU A 58 -21.975 -17.678 -13.114 1.00 0.89 O ATOM 900 CB LEU A 58 -19.836 -15.945 -12.722 1.00 0.67 C ATOM 901 CG LEU A 58 -19.361 -14.591 -13.254 1.00 0.70 C ATOM 902 CD1 LEU A 58 -18.018 -14.730 -13.976 1.00 0.86 C ATOM 903 CD2 LEU A 58 -20.403 -13.983 -14.192 1.00 0.60 C ATOM 0 H LEU A 58 -20.004 -16.624 -10.270 1.00 0.44 H new ATOM 0 HA LEU A 58 -21.505 -14.800 -12.026 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.043 -16.403 -12.132 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -20.038 -16.614 -13.558 1.00 0.67 H new ATOM 0 HG LEU A 58 -19.228 -13.924 -12.402 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -17.701 -13.755 -14.345 1.00 0.86 H new ATOM 0 HD12 LEU A 58 -17.271 -15.116 -13.283 1.00 0.86 H new ATOM 0 HD13 LEU A 58 -18.125 -15.418 -14.814 1.00 0.86 H new ATOM 0 HD21 LEU A 58 -20.045 -13.021 -14.559 1.00 0.60 H new ATOM 0 HD22 LEU A 58 -20.569 -14.654 -15.035 1.00 0.60 H new ATOM 0 HD23 LEU A 58 -21.339 -13.840 -13.652 1.00 0.60 H new ATOM 915 N LYS A 59 -23.317 -16.744 -11.557 1.00 0.70 N ATOM 916 CA LYS A 59 -24.452 -17.643 -11.770 1.00 0.90 C ATOM 917 C LYS A 59 -25.594 -16.866 -12.432 1.00 0.87 C ATOM 918 O LYS A 59 -26.179 -15.969 -11.818 1.00 0.95 O ATOM 919 CB LYS A 59 -24.900 -18.240 -10.423 1.00 1.13 C ATOM 920 CG LYS A 59 -25.564 -19.611 -10.600 1.00 1.41 C ATOM 921 CD LYS A 59 -27.092 -19.497 -10.615 1.00 1.78 C ATOM 922 CE LYS A 59 -27.699 -19.759 -9.231 1.00 2.18 C ATOM 923 NZ LYS A 59 -29.183 -19.880 -9.296 1.00 2.83 N ATOM 0 H LYS A 59 -23.480 -16.044 -10.834 1.00 0.70 H new ATOM 0 HA LYS A 59 -24.161 -18.463 -12.427 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -24.038 -18.336 -9.763 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -25.598 -17.558 -9.937 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -25.223 -20.064 -11.531 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -25.255 -20.273 -9.791 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -27.378 -18.502 -10.954 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -27.502 -20.208 -11.332 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -27.277 -20.674 -8.815 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -27.429 -18.948 -8.555 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -29.593 -19.618 -8.377 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -29.551 -19.245 -10.033 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -29.442 -20.861 -9.524 1.00 2.83 H new ATOM 937 N GLU A 60 -25.883 -17.205 -13.693 1.00 0.89 N ATOM 938 CA GLU A 60 -26.937 -16.550 -14.488 1.00 0.93 C ATOM 939 C GLU A 60 -26.616 -15.061 -14.691 1.00 0.71 C ATOM 940 O GLU A 60 -27.407 -14.184 -14.322 1.00 0.82 O ATOM 941 CB GLU A 60 -28.317 -16.711 -13.826 1.00 1.20 C ATOM 942 CG GLU A 60 -28.706 -18.183 -13.653 1.00 1.43 C ATOM 943 CD GLU A 60 -29.914 -18.300 -12.729 1.00 1.80 C ATOM 944 OE1 GLU A 60 -31.057 -18.203 -13.218 1.00 2.04 O ATOM 945 OE2 GLU A 60 -29.723 -18.473 -11.509 1.00 2.33 O ATOM 0 H GLU A 60 -25.392 -17.944 -14.196 1.00 0.89 H new ATOM 0 HA GLU A 60 -26.969 -17.038 -15.462 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -28.311 -16.221 -12.852 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -29.070 -16.206 -14.431 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -28.936 -18.623 -14.623 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -27.867 -18.743 -13.240 1.00 1.43 H new ATOM 952 N ALA A 61 -25.446 -14.793 -15.273 1.00 0.51 N ATOM 953 CA ALA A 61 -24.981 -13.432 -15.540 1.00 0.35 C ATOM 954 C ALA A 61 -25.370 -13.007 -16.952 1.00 0.35 C ATOM 955 O ALA A 61 -24.559 -13.109 -17.878 1.00 0.43 O ATOM 956 CB ALA A 61 -23.451 -13.354 -15.385 1.00 0.31 C ATOM 0 H ALA A 61 -24.793 -15.516 -15.573 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.451 -12.760 -14.822 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.116 -12.336 -15.586 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.174 -13.633 -14.368 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.979 -14.037 -16.091 1.00 0.31 H new ATOM 962 N ILE A 62 -26.598 -12.507 -17.121 1.00 0.34 N ATOM 963 CA ILE A 62 -27.053 -12.044 -18.433 1.00 0.37 C ATOM 964 C ILE A 62 -26.257 -10.793 -18.795 1.00 0.31 C ATOM 965 O ILE A 62 -26.186 -9.842 -18.008 1.00 0.31 O ATOM 966 CB ILE A 62 -28.562 -11.755 -18.441 1.00 0.46 C ATOM 967 CG1 ILE A 62 -29.348 -12.918 -17.816 1.00 0.53 C ATOM 968 CG2 ILE A 62 -29.035 -11.497 -19.877 1.00 0.57 C ATOM 969 CD1 ILE A 62 -30.857 -12.686 -17.888 1.00 1.27 C ATOM 0 H ILE A 62 -27.287 -12.414 -16.375 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.884 -12.826 -19.173 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.748 -10.865 -17.840 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -29.098 -13.845 -18.332 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -29.048 -13.042 -16.775 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -30.106 -11.293 -19.876 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -28.502 -10.639 -20.287 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.834 -12.376 -20.490 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -31.377 -13.531 -17.436 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -31.111 -11.773 -17.349 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -31.161 -12.589 -18.930 1.00 1.27 H new ATOM 981 N CYS A 63 -25.628 -10.818 -19.960 1.00 0.34 N ATOM 982 CA CYS A 63 -24.786 -9.716 -20.416 1.00 0.33 C ATOM 983 C CYS A 63 -25.355 -9.066 -21.680 1.00 0.34 C ATOM 984 O CYS A 63 -25.876 -9.746 -22.572 1.00 0.52 O ATOM 985 CB CYS A 63 -23.364 -10.239 -20.665 1.00 0.37 C ATOM 986 SG CYS A 63 -22.115 -8.958 -20.479 1.00 0.53 S ATOM 0 H CYS A 63 -25.684 -11.598 -20.615 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.760 -8.948 -19.643 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -23.153 -11.051 -19.970 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -23.305 -10.656 -21.670 1.00 0.37 H new ATOM 0 HG CYS A 63 -22.650 -7.906 -19.935 1.00 0.53 H new ATOM 992 N GLU A 64 -25.230 -7.742 -21.741 1.00 0.26 N ATOM 993 CA GLU A 64 -25.695 -6.937 -22.873 1.00 0.29 C ATOM 994 C GLU A 64 -24.637 -5.879 -23.198 1.00 0.24 C ATOM 995 O GLU A 64 -23.801 -5.550 -22.352 1.00 0.36 O ATOM 996 CB GLU A 64 -27.038 -6.265 -22.533 1.00 0.33 C ATOM 997 CG GLU A 64 -28.207 -6.936 -23.263 1.00 0.81 C ATOM 998 CD GLU A 64 -28.250 -6.523 -24.732 1.00 1.41 C ATOM 999 OE1 GLU A 64 -27.235 -6.004 -25.235 1.00 1.96 O ATOM 1000 OE2 GLU A 64 -29.299 -6.707 -25.386 1.00 1.83 O ATOM 0 H GLU A 64 -24.799 -7.190 -20.999 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.846 -7.579 -23.741 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -27.206 -6.311 -21.457 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -26.996 -5.210 -22.804 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -28.111 -8.019 -23.190 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -29.145 -6.665 -22.779 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.681 -5.344 -24.411 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.728 -4.322 -24.850 1.00 0.32 C ATOM 1009 C VAL A 65 -24.408 -2.946 -24.877 1.00 0.31 C ATOM 1010 O VAL A 65 -25.552 -2.817 -25.320 1.00 0.43 O ATOM 1011 CB VAL A 65 -23.174 -4.682 -26.243 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -21.946 -3.827 -26.570 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.822 -6.173 -26.319 1.00 0.39 C ATOM 0 H VAL A 65 -25.371 -5.601 -25.117 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.897 -4.283 -24.146 1.00 0.32 H new ATOM 0 HB VAL A 65 -23.948 -4.474 -26.981 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.568 -4.095 -27.557 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.224 -2.773 -26.562 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.171 -4.004 -25.825 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.433 -6.405 -27.310 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -22.067 -6.407 -25.569 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.716 -6.768 -26.132 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.691 -1.930 -24.402 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.183 -0.552 -24.358 1.00 0.31 C ATOM 1025 C ALA A 66 -23.168 0.368 -25.050 1.00 0.34 C ATOM 1026 O ALA A 66 -22.282 0.938 -24.406 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.404 -0.113 -22.900 1.00 0.36 C ATOM 0 H ALA A 66 -22.746 -2.039 -24.034 1.00 0.25 H new ATOM 0 HA ALA A 66 -25.138 -0.489 -24.880 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.770 0.914 -22.881 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.137 -0.768 -22.430 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.462 -0.173 -22.355 1.00 0.36 H new ATOM 1033 N LEU A 67 -23.290 0.496 -26.371 1.00 0.55 N ATOM 1034 CA LEU A 67 -22.386 1.334 -27.169 1.00 0.71 C ATOM 1035 C LEU A 67 -22.880 2.789 -27.224 1.00 0.89 C ATOM 1036 O LEU A 67 -22.285 3.628 -27.904 1.00 1.22 O ATOM 1037 CB LEU A 67 -22.276 0.749 -28.586 1.00 0.76 C ATOM 1038 CG LEU A 67 -20.899 0.996 -29.208 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -19.877 0.006 -28.651 1.00 1.38 C ATOM 1040 CD2 LEU A 67 -20.967 0.888 -30.733 1.00 1.39 C ATOM 0 H LEU A 67 -24.012 0.027 -26.918 1.00 0.55 H new ATOM 0 HA LEU A 67 -21.403 1.340 -26.698 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -22.470 -0.323 -28.551 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -23.044 1.191 -29.221 1.00 0.76 H new ATOM 0 HG LEU A 67 -20.583 2.007 -28.949 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -18.903 0.195 -29.103 1.00 1.38 H new ATOM 0 HD12 LEU A 67 -19.805 0.127 -27.570 1.00 1.38 H new ATOM 0 HD13 LEU A 67 -20.193 -1.011 -28.882 1.00 1.38 H new ATOM 0 HD21 LEU A 67 -19.978 1.067 -31.155 1.00 1.39 H new ATOM 0 HD22 LEU A 67 -21.306 -0.110 -31.012 1.00 1.39 H new ATOM 0 HD23 LEU A 67 -21.666 1.630 -31.119 1.00 1.39 H new ATOM 1052 N ASP A 68 -23.968 3.086 -26.507 1.00 0.90 N ATOM 1053 CA ASP A 68 -24.538 4.438 -26.478 1.00 1.14 C ATOM 1054 C ASP A 68 -25.055 4.764 -25.072 1.00 0.87 C ATOM 1055 O ASP A 68 -26.251 4.972 -24.868 1.00 1.00 O ATOM 1056 CB ASP A 68 -25.662 4.557 -27.526 1.00 1.59 C ATOM 1057 CG ASP A 68 -26.046 6.019 -27.763 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -25.190 6.797 -28.236 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -27.200 6.396 -27.462 1.00 2.62 O ATOM 0 H ASP A 68 -24.473 2.407 -25.937 1.00 0.90 H new ATOM 0 HA ASP A 68 -23.761 5.161 -26.727 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -25.337 4.107 -28.464 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -26.536 3.999 -27.191 1.00 1.59 H new ATOM 1064 N TYR A 69 -24.135 4.816 -24.109 1.00 0.81 N ATOM 1065 CA TYR A 69 -24.465 5.132 -22.714 1.00 0.69 C ATOM 1066 C TYR A 69 -23.521 6.228 -22.197 1.00 0.97 C ATOM 1067 O TYR A 69 -22.732 6.797 -22.959 1.00 1.47 O ATOM 1068 CB TYR A 69 -24.348 3.865 -21.847 1.00 0.58 C ATOM 1069 CG TYR A 69 -25.067 3.982 -20.517 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.454 3.979 -20.472 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -24.343 4.079 -19.341 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -27.110 4.066 -19.255 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -25.003 4.172 -18.125 1.00 0.64 C ATOM 1074 CZ TYR A 69 -26.379 4.227 -18.092 1.00 0.76 C ATOM 1075 OH TYR A 69 -27.037 4.249 -16.881 1.00 0.97 O ATOM 0 H TYR A 69 -23.143 4.641 -24.270 1.00 0.81 H new ATOM 0 HA TYR A 69 -25.491 5.496 -22.657 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -24.754 3.017 -22.398 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -23.294 3.653 -21.666 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -27.023 3.909 -21.387 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -23.263 4.082 -19.371 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -28.188 4.008 -19.215 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -24.439 4.201 -17.205 1.00 0.64 H new ATOM 0 HH TYR A 69 -27.341 3.345 -16.657 1.00 0.97 H new ATOM 1173 N HIS A 74 -18.249 2.433 -25.019 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.861 1.013 -24.966 1.00 0.38 C ATOM 1175 C HIS A 74 -18.155 0.486 -23.564 1.00 0.30 C ATOM 1176 O HIS A 74 -17.241 0.223 -22.772 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.371 0.826 -25.320 1.00 0.64 C ATOM 1178 CG HIS A 74 -16.096 0.875 -26.797 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -15.641 1.992 -27.451 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -16.220 -0.066 -27.764 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -15.491 1.760 -28.732 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -15.839 0.506 -28.964 1.00 1.53 N ATOM 0 HA HIS A 74 -18.436 0.452 -25.703 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.788 1.601 -24.824 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -16.029 -0.131 -24.926 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -16.557 -1.082 -27.623 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -15.144 2.469 -29.469 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -15.828 0.041 -29.872 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.446 0.353 -23.263 1.00 0.26 N ATOM 1191 CA VAL A 75 -19.922 -0.130 -21.963 1.00 0.23 C ATOM 1192 C VAL A 75 -20.750 -1.400 -22.172 1.00 0.22 C ATOM 1193 O VAL A 75 -21.383 -1.565 -23.213 1.00 0.26 O ATOM 1194 CB VAL A 75 -20.783 0.965 -21.293 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.266 0.532 -19.907 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.007 2.282 -21.184 1.00 0.31 C ATOM 0 H VAL A 75 -20.197 0.578 -23.916 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.074 -0.358 -21.317 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.656 1.119 -21.927 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -21.868 1.327 -19.467 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -21.869 -0.372 -19.998 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -20.406 0.332 -19.268 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.635 3.036 -20.709 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.110 2.127 -20.585 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.724 2.621 -22.180 1.00 0.31 H new ATOM 1206 N PHE A 76 -20.768 -2.283 -21.180 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.555 -3.513 -21.254 1.00 0.23 C ATOM 1208 C PHE A 76 -22.278 -3.722 -19.933 1.00 0.22 C ATOM 1209 O PHE A 76 -21.734 -3.458 -18.859 1.00 0.27 O ATOM 1210 CB PHE A 76 -20.693 -4.728 -21.633 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.685 -5.162 -20.584 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -20.045 -6.072 -19.602 1.00 0.27 C ATOM 1213 CD2 PHE A 76 -18.406 -4.627 -20.593 1.00 0.26 C ATOM 1214 CE1 PHE A 76 -19.126 -6.449 -18.634 1.00 0.29 C ATOM 1215 CE2 PHE A 76 -17.489 -4.999 -19.623 1.00 0.28 C ATOM 1216 CZ PHE A 76 -17.838 -6.001 -18.690 1.00 0.29 C ATOM 0 H PHE A 76 -20.245 -2.171 -20.311 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.293 -3.411 -22.050 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.353 -5.568 -21.848 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.158 -4.499 -22.555 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -21.042 -6.488 -19.591 1.00 0.27 H new ATOM 0 HD2 PHE A 76 -18.124 -3.919 -21.358 1.00 0.26 H new ATOM 0 HE1 PHE A 76 -19.432 -7.102 -17.830 1.00 0.29 H new ATOM 0 HE2 PHE A 76 -16.518 -4.528 -19.581 1.00 0.28 H new ATOM 0 HZ PHE A 76 -17.091 -6.410 -18.026 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.517 -4.171 -20.021 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.351 -4.398 -18.845 1.00 0.28 C ATOM 1228 C LYS A 77 -24.241 -5.839 -18.370 1.00 0.31 C ATOM 1229 O LYS A 77 -24.148 -6.769 -19.173 1.00 0.58 O ATOM 1230 CB LYS A 77 -25.816 -4.071 -19.164 1.00 0.36 C ATOM 1231 CG LYS A 77 -26.731 -4.335 -17.958 1.00 1.20 C ATOM 1232 CD LYS A 77 -28.097 -3.675 -18.131 1.00 1.33 C ATOM 1233 CE LYS A 77 -28.990 -3.957 -16.919 1.00 1.76 C ATOM 1234 NZ LYS A 77 -30.392 -3.518 -17.142 1.00 1.95 N ATOM 0 H LYS A 77 -23.976 -4.389 -20.905 1.00 0.23 H new ATOM 0 HA LYS A 77 -23.998 -3.742 -18.049 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -25.899 -3.026 -19.463 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.147 -4.672 -20.011 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -26.860 -5.409 -17.827 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -26.257 -3.958 -17.052 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -27.974 -2.599 -18.256 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -28.575 -4.049 -19.036 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -28.976 -5.025 -16.700 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -28.586 -3.446 -16.045 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -31.018 -3.999 -16.465 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -30.459 -2.489 -17.006 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -30.681 -3.759 -18.112 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.290 -5.999 -17.054 1.00 0.23 N ATOM 1249 CA LEU A 78 -24.235 -7.305 -16.410 1.00 0.24 C ATOM 1250 C LEU A 78 -25.402 -7.412 -15.434 1.00 0.29 C ATOM 1251 O LEU A 78 -25.496 -6.627 -14.483 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.899 -7.488 -15.667 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.005 -8.528 -16.347 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -20.756 -8.790 -15.500 1.00 0.86 C ATOM 1255 CD2 LEU A 78 -22.755 -9.842 -16.584 1.00 0.30 C ATOM 0 H LEU A 78 -24.370 -5.221 -16.399 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.307 -8.089 -17.164 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -22.375 -6.533 -15.622 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -23.094 -7.794 -14.639 1.00 0.30 H new ATOM 0 HG LEU A 78 -21.708 -8.126 -17.316 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -20.129 -9.532 -15.996 1.00 0.86 H new ATOM 0 HD12 LEU A 78 -20.196 -7.863 -15.381 1.00 0.86 H new ATOM 0 HD13 LEU A 78 -21.053 -9.163 -14.520 1.00 0.86 H new ATOM 0 HD21 LEU A 78 -22.091 -10.558 -17.068 1.00 0.30 H new ATOM 0 HD22 LEU A 78 -23.091 -10.247 -15.629 1.00 0.30 H new ATOM 0 HD23 LEU A 78 -23.618 -9.658 -17.224 1.00 0.30 H new ATOM 1267 N ARG A 79 -26.293 -8.369 -15.676 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.464 -8.580 -14.827 1.00 0.40 C ATOM 1269 C ARG A 79 -27.411 -9.960 -14.183 1.00 0.45 C ATOM 1270 O ARG A 79 -27.673 -10.974 -14.834 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.745 -8.428 -15.657 1.00 0.50 C ATOM 1272 CG ARG A 79 -30.006 -8.519 -14.782 1.00 1.11 C ATOM 1273 CD ARG A 79 -31.000 -9.543 -15.333 1.00 1.51 C ATOM 1274 NE ARG A 79 -31.797 -8.943 -16.406 1.00 1.91 N ATOM 1275 CZ ARG A 79 -32.888 -8.218 -16.147 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -34.064 -8.816 -16.024 1.00 2.93 N ATOM 1277 NH2 ARG A 79 -32.785 -6.902 -15.996 1.00 2.99 N ATOM 0 H ARG A 79 -26.226 -9.017 -16.461 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.465 -7.831 -14.036 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.731 -7.469 -16.175 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.777 -9.204 -16.422 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.725 -8.794 -13.765 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -30.483 -7.541 -14.727 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -30.465 -10.414 -15.710 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -31.655 -9.892 -14.535 1.00 1.51 H new ATOM 0 HE ARG A 79 -31.511 -9.083 -17.375 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -34.135 -9.828 -16.127 1.00 2.93 H new ATOM 0 HH12 ARG A 79 -34.899 -8.264 -15.826 1.00 2.93 H new ATOM 0 HH21 ARG A 79 -31.875 -6.449 -16.078 1.00 2.99 H new ATOM 0 HH22 ARG A 79 -33.616 -6.345 -15.798 1.00 2.99 H new ATOM 1291 N LEU A 80 -27.107 -9.982 -12.890 1.00 0.54 N ATOM 1292 CA LEU A 80 -27.052 -11.219 -12.119 1.00 0.68 C ATOM 1293 C LEU A 80 -28.467 -11.537 -11.637 1.00 0.84 C ATOM 1294 O LEU A 80 -29.120 -10.685 -11.019 1.00 1.06 O ATOM 1295 CB LEU A 80 -26.112 -11.068 -10.914 1.00 0.82 C ATOM 1296 CG LEU A 80 -24.739 -10.497 -11.295 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -23.946 -10.141 -10.038 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -23.955 -11.485 -12.158 1.00 1.26 C ATOM 0 H LEU A 80 -26.892 -9.145 -12.348 1.00 0.54 H new ATOM 0 HA LEU A 80 -26.668 -12.026 -12.743 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -26.579 -10.416 -10.175 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -25.977 -12.041 -10.441 1.00 0.82 H new ATOM 0 HG LEU A 80 -24.898 -9.590 -11.879 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -22.974 -9.737 -10.323 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -24.494 -9.396 -9.461 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -23.803 -11.036 -9.432 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -22.986 -11.056 -12.414 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -23.806 -12.413 -11.605 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -24.513 -11.692 -13.071 1.00 1.26 H new ATOM 1310 N SER A 81 -28.938 -12.753 -11.918 1.00 1.01 N ATOM 1311 CA SER A 81 -30.292 -13.189 -11.522 1.00 1.23 C ATOM 1312 C SER A 81 -30.375 -13.474 -10.012 1.00 1.40 C ATOM 1313 O SER A 81 -31.110 -14.359 -9.570 1.00 1.92 O ATOM 1314 CB SER A 81 -30.693 -14.431 -12.327 1.00 1.52 C ATOM 1315 OG SER A 81 -30.433 -14.237 -13.717 1.00 2.18 O ATOM 0 H SER A 81 -28.404 -13.462 -12.421 1.00 1.01 H new ATOM 0 HA SER A 81 -30.988 -12.379 -11.740 1.00 1.23 H new ATOM 0 HB2 SER A 81 -30.140 -15.298 -11.966 1.00 1.52 H new ATOM 0 HB3 SER A 81 -31.752 -14.642 -12.176 1.00 1.52 H new ATOM 0 HG SER A 81 -29.465 -14.208 -13.868 1.00 2.18 H new ATOM 1321 N ASP A 82 -29.629 -12.692 -9.237 1.00 1.33 N ATOM 1322 CA ASP A 82 -29.591 -12.790 -7.773 1.00 1.76 C ATOM 1323 C ASP A 82 -29.982 -11.433 -7.169 1.00 1.31 C ATOM 1324 O ASP A 82 -29.682 -11.144 -6.008 1.00 1.74 O ATOM 1325 CB ASP A 82 -28.178 -13.202 -7.313 1.00 2.76 C ATOM 1326 CG ASP A 82 -28.219 -13.921 -5.965 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -29.087 -14.797 -5.777 1.00 3.77 O ATOM 1328 OD2 ASP A 82 -27.373 -13.618 -5.097 1.00 3.98 O ATOM 0 H ASP A 82 -29.024 -11.960 -9.609 1.00 1.33 H new ATOM 0 HA ASP A 82 -30.297 -13.548 -7.434 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -27.725 -13.853 -8.061 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -27.546 -12.317 -7.236 1.00 2.76 H new ATOM 1333 N GLY A 83 -30.651 -10.606 -7.981 1.00 1.09 N ATOM 1334 CA GLY A 83 -31.100 -9.276 -7.569 1.00 1.53 C ATOM 1335 C GLY A 83 -29.960 -8.257 -7.610 1.00 1.31 C ATOM 1336 O GLY A 83 -29.823 -7.445 -6.670 1.00 1.88 O ATOM 0 H GLY A 83 -30.895 -10.843 -8.943 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -31.907 -8.946 -8.223 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -31.508 -9.326 -6.559 1.00 1.53 H new ATOM 1340 N ASN A 84 -29.133 -8.299 -8.689 1.00 0.93 N ATOM 1341 CA ASN A 84 -27.995 -7.374 -8.821 1.00 0.71 C ATOM 1342 C ASN A 84 -27.752 -7.016 -10.294 1.00 0.62 C ATOM 1343 O ASN A 84 -27.630 -7.904 -11.143 1.00 0.65 O ATOM 1344 CB ASN A 84 -26.720 -8.006 -8.223 1.00 0.84 C ATOM 1345 CG ASN A 84 -26.777 -8.041 -6.693 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -26.288 -6.995 -6.047 1.00 1.73 O flip ATOM 1347 ND2 ASN A 84 -27.245 -9.015 -6.099 1.00 1.32 N flip ATOM 0 H ASN A 84 -29.237 -8.955 -9.463 1.00 0.93 H new ATOM 0 HA ASN A 84 -28.235 -6.462 -8.274 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -26.600 -9.019 -8.607 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -25.846 -7.438 -8.543 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -27.614 -9.806 -6.627 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -27.263 -9.030 -5.079 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.667 -5.713 -10.584 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.422 -5.203 -11.943 1.00 0.55 C ATOM 1356 C GLU A 85 -26.321 -4.136 -11.912 1.00 0.47 C ATOM 1357 O GLU A 85 -26.355 -3.223 -11.078 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.700 -4.589 -12.519 1.00 0.70 C ATOM 1359 CG GLU A 85 -29.661 -5.657 -13.033 1.00 1.16 C ATOM 1360 CD GLU A 85 -30.883 -5.001 -13.670 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -31.808 -4.600 -12.931 1.00 1.39 O ATOM 1362 OE2 GLU A 85 -30.930 -4.896 -14.911 1.00 1.43 O ATOM 0 H GLU A 85 -27.766 -4.979 -9.883 1.00 0.59 H new ATOM 0 HA GLU A 85 -27.107 -6.036 -12.572 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.195 -3.994 -11.752 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.443 -3.910 -13.332 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -29.157 -6.290 -13.763 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -29.972 -6.303 -12.212 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.353 -4.246 -12.824 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.238 -3.288 -12.905 1.00 0.31 C ATOM 1371 C TYR A 86 -23.878 -2.980 -14.362 1.00 0.29 C ATOM 1372 O TYR A 86 -24.083 -3.807 -15.255 1.00 0.40 O ATOM 1373 CB TYR A 86 -22.984 -3.864 -12.222 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.239 -4.440 -10.847 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -23.532 -3.599 -9.783 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -23.185 -5.808 -10.649 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -23.771 -4.128 -8.528 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -23.421 -6.336 -9.397 1.00 0.62 C ATOM 1379 CZ TYR A 86 -23.695 -5.488 -8.334 1.00 0.63 C ATOM 1380 OH TYR A 86 -23.952 -6.024 -7.098 1.00 0.77 O ATOM 0 H TYR A 86 -25.315 -4.990 -13.521 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.561 -2.376 -12.404 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.562 -4.643 -12.858 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.234 -3.077 -12.141 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -23.573 -2.531 -9.935 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -22.958 -6.464 -11.476 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -24.016 -3.476 -7.703 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -23.393 -7.405 -9.245 1.00 0.62 H new ATOM 0 HH TYR A 86 -24.904 -6.245 -7.029 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.283 -1.807 -14.573 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.809 -1.374 -15.893 1.00 0.23 C ATOM 1392 C LEU A 87 -21.284 -1.349 -15.851 1.00 0.22 C ATOM 1393 O LEU A 87 -20.700 -0.742 -14.949 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.338 0.023 -16.249 1.00 0.26 C ATOM 1395 CG LEU A 87 -24.867 0.082 -16.278 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.332 1.432 -16.811 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.445 -1.047 -17.132 1.00 0.38 C ATOM 0 H LEU A 87 -23.114 -1.126 -13.833 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.173 -2.065 -16.654 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -22.964 0.745 -15.524 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -22.948 0.318 -17.223 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.230 -0.043 -15.258 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.421 1.461 -16.827 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -24.957 2.227 -16.166 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -24.951 1.575 -17.822 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.533 -0.981 -17.135 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.073 -0.958 -18.153 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.141 -2.008 -16.718 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.646 -2.031 -16.798 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.185 -2.113 -16.848 1.00 0.19 C ATOM 1411 C PHE A 88 -18.623 -1.366 -18.053 1.00 0.20 C ATOM 1412 O PHE A 88 -18.889 -1.734 -19.195 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.755 -3.581 -16.895 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.876 -4.256 -15.550 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.896 -4.061 -14.596 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.964 -5.062 -15.267 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -18.000 -4.664 -13.361 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -20.069 -5.670 -14.029 1.00 0.25 C ATOM 1419 CZ PHE A 88 -19.087 -5.473 -13.077 1.00 0.22 C ATOM 0 H PHE A 88 -21.119 -2.538 -17.546 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.787 -1.641 -15.950 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.367 -4.114 -17.623 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.723 -3.644 -17.239 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.045 -3.434 -14.819 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.731 -5.216 -16.012 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.235 -4.506 -12.616 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.918 -6.299 -13.806 1.00 0.25 H new ATOM 0 HZ PHE A 88 -19.167 -5.950 -12.111 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.832 -0.323 -17.789 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.208 0.474 -18.854 1.00 0.26 C ATOM 1431 C GLN A 89 -15.787 -0.022 -19.115 1.00 0.22 C ATOM 1432 O GLN A 89 -14.968 -0.096 -18.182 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.148 1.958 -18.469 1.00 0.32 C ATOM 1434 CG GLN A 89 -17.030 2.859 -19.704 1.00 0.52 C ATOM 1435 CD GLN A 89 -15.822 3.788 -19.572 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -14.690 3.335 -19.383 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -16.058 5.081 -19.667 1.00 1.63 N ATOM 0 H GLN A 89 -17.607 -0.008 -16.845 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.816 0.362 -19.752 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.043 2.225 -17.908 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -16.296 2.129 -17.811 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -16.930 2.247 -20.600 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -17.939 3.449 -19.820 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -17.009 5.416 -19.824 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -15.290 5.747 -19.584 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.504 -0.320 -20.385 1.00 0.22 N ATOM 1447 CA ALA A 90 -14.184 -0.780 -20.837 1.00 0.24 C ATOM 1448 C ALA A 90 -13.488 0.362 -21.588 1.00 0.27 C ATOM 1449 O ALA A 90 -14.140 1.334 -21.990 1.00 0.32 O ATOM 1450 CB ALA A 90 -14.348 -1.999 -21.753 1.00 0.29 C ATOM 0 H ALA A 90 -16.189 -0.249 -21.137 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.577 -1.069 -19.979 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -13.367 -2.338 -22.087 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.842 -2.802 -21.206 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.951 -1.725 -22.619 1.00 0.29 H new ATOM 1456 N LYS A 91 -12.172 0.260 -21.771 1.00 0.35 N ATOM 1457 CA LYS A 91 -11.413 1.310 -22.466 1.00 0.44 C ATOM 1458 C LYS A 91 -11.529 1.180 -23.988 1.00 0.49 C ATOM 1459 O LYS A 91 -11.581 2.186 -24.695 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.942 1.289 -22.030 1.00 0.65 C ATOM 1461 CG LYS A 91 -9.180 0.066 -22.554 1.00 1.26 C ATOM 1462 CD LYS A 91 -7.948 -0.212 -21.694 1.00 1.43 C ATOM 1463 CE LYS A 91 -6.987 -1.196 -22.374 1.00 1.86 C ATOM 1464 NZ LYS A 91 -6.398 -0.626 -23.620 1.00 2.29 N ATOM 0 H LYS A 91 -11.610 -0.529 -21.453 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.846 2.270 -22.186 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.451 2.195 -22.384 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -9.891 1.303 -20.941 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.835 -0.805 -22.552 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -8.878 0.235 -23.587 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -7.427 0.724 -21.493 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -8.261 -0.616 -20.731 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -6.187 -1.460 -21.682 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -7.519 -2.117 -22.612 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -5.540 -1.156 -23.872 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -7.089 -0.696 -24.394 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -6.154 0.373 -23.463 1.00 2.29 H new ATOM 1478 N ASP A 92 -11.563 -0.058 -24.489 1.00 0.49 N ATOM 1479 CA ASP A 92 -11.668 -0.317 -25.937 1.00 0.66 C ATOM 1480 C ASP A 92 -12.576 -1.522 -26.209 1.00 0.59 C ATOM 1481 O ASP A 92 -12.918 -2.274 -25.288 1.00 0.75 O ATOM 1482 CB ASP A 92 -10.264 -0.565 -26.531 1.00 0.84 C ATOM 1483 CG ASP A 92 -9.678 0.726 -27.099 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -10.291 1.318 -28.010 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -8.598 1.150 -26.640 1.00 2.01 O ATOM 0 H ASP A 92 -11.520 -0.901 -23.916 1.00 0.49 H new ATOM 0 HA ASP A 92 -12.109 0.559 -26.414 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -9.603 -0.961 -25.760 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -10.325 -1.318 -27.316 1.00 0.84 H new ATOM 1490 N ASP A 93 -12.957 -1.708 -27.484 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.829 -2.829 -27.899 1.00 0.63 C ATOM 1492 C ASP A 93 -13.172 -4.175 -27.584 1.00 0.49 C ATOM 1493 O ASP A 93 -13.843 -5.114 -27.150 1.00 0.54 O ATOM 1494 CB ASP A 93 -14.141 -2.738 -29.402 1.00 0.83 C ATOM 1495 CG ASP A 93 -15.266 -3.705 -29.784 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -16.386 -3.576 -29.249 1.00 2.21 O ATOM 1497 OD2 ASP A 93 -15.030 -4.602 -30.615 1.00 2.13 O ATOM 0 H ASP A 93 -12.676 -1.096 -28.250 1.00 0.62 H new ATOM 0 HA ASP A 93 -14.761 -2.757 -27.338 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -14.430 -1.718 -29.657 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -13.245 -2.969 -29.979 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.854 -4.251 -27.791 1.00 0.41 N ATOM 1503 CA GLU A 94 -11.071 -5.462 -27.519 1.00 0.41 C ATOM 1504 C GLU A 94 -11.259 -5.891 -26.060 1.00 0.36 C ATOM 1505 O GLU A 94 -11.535 -7.055 -25.775 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.589 -5.188 -27.814 1.00 0.49 C ATOM 1507 CG GLU A 94 -8.724 -6.451 -27.660 1.00 1.21 C ATOM 1508 CD GLU A 94 -8.047 -6.505 -26.291 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -7.745 -5.436 -25.720 1.00 2.43 O ATOM 1510 OE2 GLU A 94 -7.815 -7.617 -25.783 1.00 2.59 O ATOM 0 H GLU A 94 -11.299 -3.475 -28.152 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.416 -6.272 -28.162 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -9.487 -4.801 -28.828 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -9.223 -4.414 -27.139 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -9.345 -7.337 -27.795 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -7.966 -6.471 -28.443 1.00 1.21 H new ATOM 1517 N GLU A 95 -11.143 -4.927 -25.144 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.324 -5.176 -23.709 1.00 0.29 C ATOM 1519 C GLU A 95 -12.774 -5.577 -23.427 1.00 0.24 C ATOM 1520 O GLU A 95 -13.029 -6.562 -22.733 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.964 -3.920 -22.909 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.305 -4.270 -21.577 1.00 0.42 C ATOM 1523 CD GLU A 95 -10.137 -3.019 -20.725 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -10.983 -2.102 -20.825 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -9.158 -2.950 -19.957 1.00 1.30 O ATOM 0 H GLU A 95 -10.923 -3.958 -25.372 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.665 -5.990 -23.406 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -10.290 -3.295 -23.496 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.865 -3.334 -22.727 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -10.912 -5.002 -21.044 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.333 -4.731 -21.754 1.00 0.42 H new ATOM 1532 N MET A 96 -13.716 -4.810 -23.990 1.00 0.24 N ATOM 1533 CA MET A 96 -15.155 -5.067 -23.828 1.00 0.22 C ATOM 1534 C MET A 96 -15.498 -6.499 -24.268 1.00 0.22 C ATOM 1535 O MET A 96 -16.235 -7.211 -23.585 1.00 0.23 O ATOM 1536 CB MET A 96 -15.958 -4.047 -24.646 1.00 0.26 C ATOM 1537 CG MET A 96 -17.468 -4.260 -24.494 1.00 0.39 C ATOM 1538 SD MET A 96 -18.413 -2.780 -24.894 1.00 0.94 S ATOM 1539 CE MET A 96 -18.710 -3.021 -26.654 1.00 0.77 C ATOM 0 H MET A 96 -13.505 -3.997 -24.568 1.00 0.24 H new ATOM 0 HA MET A 96 -15.418 -4.962 -22.775 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.699 -3.038 -24.325 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.683 -4.127 -25.698 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.784 -5.076 -25.143 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.688 -4.563 -23.470 1.00 0.39 H new ATOM 0 HE1 MET A 96 -19.469 -2.317 -26.995 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.785 -2.852 -27.206 1.00 0.77 H new ATOM 0 HE3 MET A 96 -19.056 -4.040 -26.828 1.00 0.77 H new ATOM 1549 N ASN A 97 -14.929 -6.916 -25.404 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.139 -8.263 -25.942 1.00 0.28 C ATOM 1551 C ASN A 97 -14.521 -9.313 -25.005 1.00 0.26 C ATOM 1552 O ASN A 97 -15.182 -10.281 -24.634 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.525 -8.368 -27.350 1.00 0.35 C ATOM 1554 CG ASN A 97 -14.832 -9.730 -27.984 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -15.912 -9.941 -28.535 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -13.883 -10.651 -27.905 1.00 1.24 N ATOM 0 H ASN A 97 -14.314 -6.334 -25.973 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.210 -8.453 -26.013 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -14.918 -7.572 -27.982 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.446 -8.225 -27.292 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -14.034 -11.575 -28.310 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -13.001 -10.436 -27.440 1.00 1.24 H new ATOM 1563 N THR A 98 -13.255 -9.105 -24.619 1.00 0.25 N ATOM 1564 CA THR A 98 -12.541 -10.030 -23.720 1.00 0.27 C ATOM 1565 C THR A 98 -13.318 -10.267 -22.411 1.00 0.23 C ATOM 1566 O THR A 98 -13.317 -11.374 -21.880 1.00 0.27 O ATOM 1567 CB THR A 98 -11.132 -9.487 -23.405 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.485 -9.062 -24.601 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.273 -10.550 -22.710 1.00 0.39 C ATOM 0 H THR A 98 -12.700 -8.302 -24.915 1.00 0.25 H new ATOM 0 HA THR A 98 -12.454 -10.987 -24.235 1.00 0.27 H new ATOM 0 HB THR A 98 -11.247 -8.637 -22.733 1.00 0.31 H new ATOM 0 HG1 THR A 98 -10.703 -8.122 -24.775 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.285 -10.139 -22.500 1.00 0.39 H new ATOM 0 HG22 THR A 98 -10.748 -10.848 -21.775 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.174 -11.419 -23.360 1.00 0.39 H new ATOM 1577 N TRP A 99 -13.975 -9.223 -21.898 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.744 -9.321 -20.652 1.00 0.20 C ATOM 1579 C TRP A 99 -16.045 -10.118 -20.841 1.00 0.21 C ATOM 1580 O TRP A 99 -16.329 -11.033 -20.062 1.00 0.24 O ATOM 1581 CB TRP A 99 -15.034 -7.912 -20.103 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.900 -7.390 -19.261 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.063 -6.342 -19.547 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.466 -7.920 -17.988 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.162 -6.213 -18.525 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.376 -7.151 -17.565 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.898 -8.966 -17.166 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.718 -7.396 -16.373 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -13.239 -9.218 -15.969 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -12.159 -8.437 -15.576 1.00 0.29 C ATOM 0 H TRP A 99 -13.990 -8.298 -22.327 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.142 -9.868 -19.926 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.213 -7.229 -20.934 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.947 -7.936 -19.507 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.107 -5.722 -20.430 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.427 -5.506 -18.489 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.740 -9.575 -17.460 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.878 -6.788 -16.071 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.570 -10.029 -15.337 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.660 -8.644 -14.641 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.833 -9.789 -21.872 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.101 -10.500 -22.148 1.00 0.24 C ATOM 1603 C ILE A 100 -17.832 -11.992 -22.434 1.00 0.28 C ATOM 1604 O ILE A 100 -18.594 -12.880 -21.991 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.823 -9.840 -23.338 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.247 -8.408 -22.983 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.048 -10.654 -23.764 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.741 -7.638 -24.208 1.00 0.29 C ATOM 0 H ILE A 100 -16.622 -9.039 -22.530 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.742 -10.434 -21.269 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.124 -9.809 -24.173 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -20.036 -8.439 -22.232 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.404 -7.880 -22.538 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.536 -10.163 -24.606 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.735 -11.655 -24.060 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.746 -10.724 -22.930 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -20.031 -6.630 -23.912 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -18.944 -7.583 -24.949 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.601 -8.151 -24.638 1.00 0.29 H new ATOM 1620 N GLN A 101 -16.736 -12.251 -23.162 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.321 -13.615 -23.514 1.00 0.35 C ATOM 1622 C GLN A 101 -15.661 -14.309 -22.311 1.00 0.36 C ATOM 1623 O GLN A 101 -15.786 -15.523 -22.158 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.369 -13.596 -24.720 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.031 -12.996 -25.973 1.00 0.48 C ATOM 1626 CD GLN A 101 -17.313 -13.744 -26.339 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -17.320 -14.968 -26.453 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -18.400 -13.008 -26.530 1.00 1.76 N ATOM 0 H GLN A 101 -16.116 -11.525 -23.521 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.210 -14.183 -23.789 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -14.479 -13.019 -24.469 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.039 -14.612 -24.937 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -16.259 -11.945 -25.798 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -15.333 -13.036 -26.809 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -18.354 -11.994 -26.426 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -19.282 -13.456 -26.781 1.00 1.76 H new ATOM 1637 N ALA A 102 -14.999 -13.531 -21.431 1.00 0.32 N ATOM 1638 CA ALA A 102 -14.375 -14.084 -20.209 1.00 0.37 C ATOM 1639 C ALA A 102 -15.495 -14.595 -19.303 1.00 0.38 C ATOM 1640 O ALA A 102 -15.449 -15.716 -18.798 1.00 0.48 O ATOM 1641 CB ALA A 102 -13.545 -13.022 -19.477 1.00 0.38 C ATOM 0 H ALA A 102 -14.882 -12.524 -21.541 1.00 0.32 H new ATOM 0 HA ALA A 102 -13.697 -14.893 -20.479 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.100 -13.460 -18.584 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -12.755 -12.660 -20.135 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.189 -12.190 -19.191 1.00 0.38 H new ATOM 1647 N ILE A 103 -16.542 -13.771 -19.191 1.00 0.33 N ATOM 1648 CA ILE A 103 -17.761 -14.113 -18.451 1.00 0.38 C ATOM 1649 C ILE A 103 -18.450 -15.261 -19.197 1.00 0.47 C ATOM 1650 O ILE A 103 -19.134 -16.095 -18.603 1.00 0.55 O ATOM 1651 CB ILE A 103 -18.673 -12.867 -18.405 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -18.178 -11.879 -17.335 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.147 -13.239 -18.182 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.449 -10.428 -17.737 1.00 0.35 C ATOM 0 H ILE A 103 -16.568 -12.843 -19.614 1.00 0.33 H new ATOM 0 HA ILE A 103 -17.539 -14.422 -17.429 1.00 0.38 H new ATOM 0 HB ILE A 103 -18.616 -12.379 -19.378 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.671 -12.092 -16.387 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -17.109 -12.019 -17.177 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.751 -12.332 -18.157 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -20.488 -13.879 -18.996 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.249 -13.770 -17.235 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -18.085 -9.760 -16.956 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -17.934 -10.207 -18.672 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.521 -10.281 -17.870 1.00 0.35 H new ATOM 1666 N SER A 104 -18.239 -15.272 -20.523 1.00 0.53 N ATOM 1667 CA SER A 104 -18.801 -16.276 -21.435 1.00 0.66 C ATOM 1668 C SER A 104 -20.318 -16.287 -21.329 1.00 0.72 C ATOM 1669 O SER A 104 -20.947 -17.340 -21.443 1.00 0.89 O ATOM 1670 CB SER A 104 -18.225 -17.672 -21.125 1.00 0.81 C ATOM 1671 OG SER A 104 -16.835 -17.596 -20.815 1.00 1.05 O ATOM 0 H SER A 104 -17.665 -14.574 -20.996 1.00 0.53 H new ATOM 0 HA SER A 104 -18.525 -16.014 -22.456 1.00 0.66 H new ATOM 0 HB2 SER A 104 -18.764 -18.113 -20.287 1.00 0.81 H new ATOM 0 HB3 SER A 104 -18.374 -18.329 -21.982 1.00 0.81 H new ATOM 0 HG SER A 104 -16.389 -17.001 -21.454 1.00 1.05 H new ATOM 1677 N SER A 105 -20.890 -15.097 -21.084 1.00 0.80 N ATOM 1678 CA SER A 105 -22.348 -14.939 -20.917 1.00 1.13 C ATOM 1679 C SER A 105 -22.909 -16.026 -19.971 1.00 1.23 C ATOM 1680 O SER A 105 -23.975 -16.590 -20.230 1.00 1.61 O ATOM 1681 CB SER A 105 -23.040 -15.011 -22.287 1.00 1.48 C ATOM 1682 OG SER A 105 -22.309 -14.276 -23.265 1.00 1.63 O ATOM 0 H SER A 105 -20.365 -14.227 -20.997 1.00 0.80 H new ATOM 0 HA SER A 105 -22.547 -13.965 -20.470 1.00 1.13 H new ATOM 0 HB2 SER A 105 -23.129 -16.051 -22.600 1.00 1.48 H new ATOM 0 HB3 SER A 105 -24.052 -14.614 -22.209 1.00 1.48 H new ATOM 0 HG SER A 105 -22.767 -14.337 -24.129 1.00 1.63 H new ATOM 1688 N ALA A 106 -22.151 -16.345 -18.904 1.00 1.29 N ATOM 1689 CA ALA A 106 -22.537 -17.398 -17.947 1.00 1.59 C ATOM 1690 C ALA A 106 -23.753 -16.991 -17.119 1.00 2.40 C ATOM 1691 O ALA A 106 -23.573 -16.525 -15.978 1.00 3.00 O ATOM 1692 CB ALA A 106 -21.357 -17.719 -17.022 1.00 1.90 C ATOM 1693 OXT ALA A 106 -24.894 -17.164 -17.599 1.00 3.05 O ATOM 0 H ALA A 106 -21.267 -15.887 -18.684 1.00 1.29 H new ATOM 0 HA ALA A 106 -22.807 -18.286 -18.519 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -21.649 -18.498 -16.317 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -20.512 -18.066 -17.617 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -21.070 -16.822 -16.473 1.00 1.90 H new