USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 693 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 8 LYS NZ :NH3+ -160:sc= 1.05 (180deg=0.257) USER MOD Set 2.2: A 69 TYR OH : rot 132:sc= 0.934 USER MOD Set 3.1: A 9 HIS :FLIP no HD1:sc= 0.0785 F(o=-0.88,f=0.33) USER MOD Set 3.2: A 22 SER OG : rot 32:sc= 0.251 USER MOD Single : A 6 ASN : amide:sc= -0.346 K(o=-0.35,f=-3.2!) USER MOD Single : A 24 HIS : no HD1:sc= -0.0134 X(o=-0.013,f=-0.084) USER MOD Single : A 25 ASN : amide:sc= 0.128 K(o=0.13,f=-3.8!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -76:sc= 0.256 USER MOD Single : A 31 ASN : amide:sc= 1.21 K(o=1.2,f=-0.32) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 35 MET CE :methyl -148:sc= -0.214 (180deg=-3.49!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 98:sc= 0.991 USER MOD Single : A 46 SER OG : rot 79:sc= 0.198 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 0:sc= -0.607 USER MOD Single : A 74 HIS : no HD1:sc= -0.261 X(o=-0.26,f=-0.086) USER MOD Single : A 77 LYS NZ :NH3+ -177:sc= 1.15 (180deg=1.15) USER MOD Single : A 81 SER OG : rot -91:sc= 0.133 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -129:sc= 1.26 (180deg=0.0204) USER MOD Single : A 96 MET CE :methyl -109:sc= -0.0894 (180deg=-0.888) USER MOD Single : A 97 ASN : amide:sc= -0.145 K(o=-0.14,f=-2!) USER MOD Single : A 98 THR OG1 : rot 89:sc= 1.19 USER MOD Single : A 101 GLN : amide:sc= -0.35 X(o=-0.35,f=0) USER MOD Single : A 104 SER OG : rot 86:sc= 1.3 USER MOD Single : A 105 SER OG : rot -15:sc= 0.833 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -8.148 -10.213 -16.319 1.00 0.51 N ATOM 21 CA GLU A 2 -8.035 -9.498 -15.026 1.00 0.37 C ATOM 22 C GLU A 2 -7.513 -8.070 -15.233 1.00 0.34 C ATOM 23 O GLU A 2 -6.477 -7.875 -15.869 1.00 0.48 O ATOM 24 CB GLU A 2 -7.074 -10.257 -14.092 1.00 0.53 C ATOM 25 CG GLU A 2 -7.751 -11.447 -13.399 1.00 0.96 C ATOM 26 CD GLU A 2 -8.418 -12.377 -14.408 1.00 1.61 C ATOM 27 OE1 GLU A 2 -7.736 -12.831 -15.347 1.00 2.09 O ATOM 28 OE2 GLU A 2 -9.627 -12.663 -14.256 1.00 2.16 O ATOM 0 HA GLU A 2 -9.027 -9.448 -14.578 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -6.219 -10.613 -14.666 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -6.688 -9.572 -13.337 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -7.011 -12.003 -12.824 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -8.496 -11.082 -12.692 1.00 0.96 H new ATOM 35 N GLY A 3 -8.230 -7.077 -14.712 1.00 0.25 N ATOM 36 CA GLY A 3 -7.819 -5.682 -14.868 1.00 0.28 C ATOM 37 C GLY A 3 -8.838 -4.722 -14.276 1.00 0.22 C ATOM 38 O GLY A 3 -9.792 -5.126 -13.601 1.00 0.22 O ATOM 0 H GLY A 3 -9.092 -7.209 -14.182 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -6.854 -5.531 -14.384 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -7.683 -5.460 -15.926 1.00 0.28 H new ATOM 42 N PHE A 4 -8.613 -3.437 -14.531 1.00 0.24 N ATOM 43 CA PHE A 4 -9.481 -2.368 -14.037 1.00 0.21 C ATOM 44 C PHE A 4 -10.757 -2.256 -14.878 1.00 0.22 C ATOM 45 O PHE A 4 -10.744 -2.438 -16.099 1.00 0.27 O ATOM 46 CB PHE A 4 -8.739 -1.029 -14.049 1.00 0.23 C ATOM 47 CG PHE A 4 -7.783 -0.871 -12.888 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.274 -0.800 -11.592 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.420 -0.789 -13.114 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.403 -0.641 -10.528 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.548 -0.634 -12.050 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.040 -0.560 -10.757 1.00 0.41 C ATOM 0 H PHE A 4 -7.824 -3.105 -15.086 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.762 -2.616 -13.013 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.185 -0.935 -14.983 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.466 -0.217 -14.027 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.337 -0.869 -11.413 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.036 -0.846 -14.122 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -7.786 -0.580 -9.520 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.485 -0.571 -12.228 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.360 -0.439 -9.927 1.00 0.41 H new ATOM 62 N LEU A 5 -11.846 -1.935 -14.195 1.00 0.19 N ATOM 63 CA LEU A 5 -13.162 -1.766 -14.802 1.00 0.21 C ATOM 64 C LEU A 5 -13.949 -0.752 -13.981 1.00 0.20 C ATOM 65 O LEU A 5 -13.864 -0.748 -12.749 1.00 0.21 O ATOM 66 CB LEU A 5 -13.939 -3.100 -14.796 1.00 0.23 C ATOM 67 CG LEU A 5 -13.725 -3.929 -16.070 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.510 -5.240 -15.990 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.138 -3.146 -17.318 1.00 0.31 C ATOM 0 H LEU A 5 -11.842 -1.782 -13.187 1.00 0.19 H new ATOM 0 HA LEU A 5 -13.036 -1.429 -15.831 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.632 -3.688 -13.931 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -15.003 -2.893 -14.679 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.661 -4.154 -16.147 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.348 -5.817 -16.901 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.169 -5.816 -15.130 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.573 -5.022 -15.883 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -13.974 -3.760 -18.204 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.193 -2.882 -17.249 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.541 -2.237 -17.391 1.00 0.31 H new ATOM 81 N ASN A 6 -14.748 0.078 -14.639 1.00 0.22 N ATOM 82 CA ASN A 6 -15.583 1.046 -13.917 1.00 0.23 C ATOM 83 C ASN A 6 -16.881 0.334 -13.569 1.00 0.22 C ATOM 84 O ASN A 6 -17.518 -0.226 -14.454 1.00 0.26 O ATOM 85 CB ASN A 6 -15.880 2.299 -14.755 1.00 0.28 C ATOM 86 CG ASN A 6 -14.602 3.039 -15.179 1.00 0.72 C ATOM 87 OD1 ASN A 6 -13.521 2.456 -15.286 1.00 1.49 O ATOM 88 ND2 ASN A 6 -14.731 4.333 -15.430 1.00 1.24 N ATOM 0 H ASN A 6 -14.840 0.106 -15.654 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.056 1.390 -13.027 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -16.442 2.013 -15.644 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.514 2.975 -14.181 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -13.921 4.879 -15.722 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -15.641 4.783 -15.331 1.00 1.24 H new ATOM 95 N ARG A 7 -17.248 0.303 -12.291 1.00 0.23 N ATOM 96 CA ARG A 7 -18.460 -0.402 -11.851 1.00 0.24 C ATOM 97 C ARG A 7 -19.548 0.577 -11.409 1.00 0.25 C ATOM 98 O ARG A 7 -19.296 1.507 -10.636 1.00 0.32 O ATOM 99 CB ARG A 7 -18.111 -1.358 -10.696 1.00 0.28 C ATOM 100 CG ARG A 7 -19.351 -2.068 -10.134 1.00 0.34 C ATOM 101 CD ARG A 7 -18.961 -3.167 -9.137 1.00 0.54 C ATOM 102 NE ARG A 7 -19.875 -3.183 -7.988 1.00 0.95 N ATOM 103 CZ ARG A 7 -19.722 -4.046 -6.984 1.00 1.16 C ATOM 104 NH1 ARG A 7 -18.827 -3.820 -6.033 1.00 1.71 N ATOM 105 NH2 ARG A 7 -20.472 -5.135 -6.940 1.00 1.46 N ATOM 0 H ARG A 7 -16.728 0.755 -11.539 1.00 0.23 H new ATOM 0 HA ARG A 7 -18.848 -0.972 -12.696 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.396 -2.102 -11.047 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -17.623 -0.798 -9.898 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -19.997 -1.341 -9.642 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.925 -2.503 -10.952 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -18.979 -4.137 -9.634 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -17.940 -3.004 -8.792 1.00 0.54 H new ATOM 0 HE ARG A 7 -20.647 -2.517 -7.957 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -18.249 -2.980 -6.066 1.00 1.71 H new ATOM 0 HH12 ARG A 7 -18.716 -4.486 -5.268 1.00 1.71 H new ATOM 0 HH21 ARG A 7 -21.161 -5.309 -7.671 1.00 1.46 H new ATOM 0 HH22 ARG A 7 -20.361 -5.800 -6.175 1.00 1.46 H new ATOM 119 N LYS A 8 -20.762 0.341 -11.897 1.00 0.27 N ATOM 120 CA LYS A 8 -21.925 1.155 -11.563 1.00 0.29 C ATOM 121 C LYS A 8 -23.166 0.274 -11.562 1.00 0.29 C ATOM 122 O LYS A 8 -23.576 -0.223 -12.607 1.00 0.38 O ATOM 123 CB LYS A 8 -22.098 2.294 -12.578 1.00 0.36 C ATOM 124 CG LYS A 8 -23.301 3.186 -12.238 1.00 0.37 C ATOM 125 CD LYS A 8 -24.416 3.078 -13.282 1.00 0.50 C ATOM 126 CE LYS A 8 -25.789 3.394 -12.665 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.529 4.428 -13.438 1.00 1.02 N ATOM 0 H LYS A 8 -20.967 -0.425 -12.539 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.780 1.594 -10.576 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.192 2.900 -12.602 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.227 1.875 -13.576 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.693 2.907 -11.260 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -22.973 4.223 -12.165 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.217 3.766 -14.103 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -24.427 2.073 -13.704 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.384 2.482 -12.620 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.654 3.737 -11.639 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.263 4.852 -12.836 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -25.868 5.167 -13.751 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -26.974 3.988 -14.269 1.00 1.02 H new ATOM 141 N HIS A 9 -23.774 0.095 -10.397 1.00 0.43 N ATOM 142 CA HIS A 9 -24.991 -0.705 -10.286 1.00 0.52 C ATOM 143 C HIS A 9 -26.191 0.161 -10.676 1.00 0.58 C ATOM 144 O HIS A 9 -26.318 1.295 -10.222 1.00 0.73 O ATOM 145 CB HIS A 9 -25.147 -1.302 -8.868 1.00 0.68 C ATOM 146 CG HIS A 9 -25.103 -0.317 -7.725 1.00 0.88 C ATOM 147 ND1 HIS A 9 -24.776 1.003 -7.651 1.00 1.21 N flip ATOM 148 CD2 HIS A 9 -25.414 -0.672 -6.439 1.00 1.22 C flip ATOM 149 CE1 HIS A 9 -24.901 1.393 -6.330 1.00 1.69 C flip ATOM 150 NE2 HIS A 9 -25.295 0.345 -5.622 1.00 1.75 N flip ATOM 0 H HIS A 9 -23.447 0.491 -9.516 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.931 -1.553 -10.969 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -26.095 -1.837 -8.823 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -24.358 -2.039 -8.717 1.00 0.68 H new ATOM 0 HD2 HIS A 9 -25.718 -1.663 -6.137 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -24.710 2.383 -5.942 1.00 1.69 H new ATOM 0 HE2 HIS A 9 -25.474 0.332 -4.618 1.00 1.75 H new ATOM 158 N GLU A 10 -27.042 -0.364 -11.549 1.00 0.60 N ATOM 159 CA GLU A 10 -28.219 0.365 -12.030 1.00 0.73 C ATOM 160 C GLU A 10 -29.449 -0.005 -11.203 1.00 0.83 C ATOM 161 O GLU A 10 -30.234 0.863 -10.823 1.00 1.00 O ATOM 162 CB GLU A 10 -28.449 0.046 -13.517 1.00 0.79 C ATOM 163 CG GLU A 10 -29.437 1.023 -14.166 1.00 1.28 C ATOM 164 CD GLU A 10 -28.855 2.431 -14.225 1.00 1.19 C ATOM 165 OE1 GLU A 10 -27.852 2.635 -14.934 1.00 1.52 O ATOM 166 OE2 GLU A 10 -29.401 3.339 -13.570 1.00 1.72 O ATOM 0 H GLU A 10 -26.941 -1.299 -11.944 1.00 0.60 H new ATOM 0 HA GLU A 10 -28.048 1.436 -11.920 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.498 0.085 -14.048 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -28.827 -0.972 -13.616 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -29.681 0.684 -15.173 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -30.368 1.034 -13.599 1.00 1.28 H new ATOM 173 N TRP A 11 -29.596 -1.297 -10.921 1.00 0.82 N ATOM 174 CA TRP A 11 -30.716 -1.820 -10.136 1.00 0.96 C ATOM 175 C TRP A 11 -30.170 -2.789 -9.078 1.00 0.94 C ATOM 176 O TRP A 11 -29.423 -3.721 -9.402 1.00 0.84 O ATOM 177 CB TRP A 11 -31.720 -2.505 -11.081 1.00 1.08 C ATOM 178 CG TRP A 11 -32.850 -3.208 -10.387 1.00 1.26 C ATOM 179 CD1 TRP A 11 -34.014 -2.654 -9.942 1.00 1.54 C ATOM 180 CD2 TRP A 11 -32.922 -4.613 -10.073 1.00 1.26 C ATOM 181 NE1 TRP A 11 -34.776 -3.632 -9.371 1.00 1.67 N ATOM 182 CE2 TRP A 11 -34.145 -4.836 -9.435 1.00 1.51 C ATOM 183 CE3 TRP A 11 -32.067 -5.695 -10.272 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -34.528 -6.093 -9.001 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -32.443 -6.957 -9.842 1.00 1.35 C ATOM 186 CH2 TRP A 11 -33.661 -7.155 -9.212 1.00 1.53 C ATOM 0 H TRP A 11 -28.941 -2.015 -11.231 1.00 0.82 H new ATOM 0 HA TRP A 11 -31.240 -1.015 -9.620 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -32.135 -1.755 -11.755 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -31.184 -3.227 -11.698 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -34.288 -1.613 -10.027 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -35.694 -3.481 -8.953 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -31.114 -5.550 -10.760 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -35.478 -6.243 -8.510 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -31.780 -7.795 -9.999 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -33.938 -8.145 -8.882 1.00 1.53 H new ATOM 353 N SER A 22 -22.430 6.535 -7.957 1.00 1.32 N ATOM 354 CA SER A 22 -21.948 5.320 -8.600 1.00 0.74 C ATOM 355 C SER A 22 -20.807 5.635 -9.581 1.00 0.68 C ATOM 356 O SER A 22 -20.237 6.730 -9.565 1.00 1.69 O ATOM 357 CB SER A 22 -23.122 4.657 -9.324 1.00 1.62 C ATOM 358 OG SER A 22 -24.258 4.548 -8.469 1.00 1.86 O ATOM 0 HA SER A 22 -21.548 4.640 -7.848 1.00 0.74 H new ATOM 0 HB2 SER A 22 -23.383 5.239 -10.208 1.00 1.62 H new ATOM 0 HB3 SER A 22 -22.827 3.666 -9.670 1.00 1.62 H new ATOM 0 HG SER A 22 -24.266 5.299 -7.839 1.00 1.86 H new ATOM 364 N TRP A 23 -20.473 4.649 -10.422 1.00 0.69 N ATOM 365 CA TRP A 23 -19.393 4.754 -11.418 1.00 0.41 C ATOM 366 C TRP A 23 -18.045 4.978 -10.721 1.00 0.40 C ATOM 367 O TRP A 23 -17.534 6.099 -10.675 1.00 0.55 O ATOM 368 CB TRP A 23 -19.678 5.872 -12.458 1.00 0.43 C ATOM 369 CG TRP A 23 -20.488 5.408 -13.641 1.00 0.40 C ATOM 370 CD1 TRP A 23 -21.627 5.983 -14.131 1.00 0.45 C ATOM 371 CD2 TRP A 23 -20.218 4.267 -14.490 1.00 0.34 C ATOM 372 NE1 TRP A 23 -22.053 5.266 -15.215 1.00 0.42 N ATOM 373 CE2 TRP A 23 -21.226 4.215 -15.457 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.223 3.290 -14.517 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.265 3.226 -16.428 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.253 2.302 -15.483 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.267 2.267 -16.432 1.00 0.31 C ATOM 0 H TRP A 23 -20.948 3.746 -10.433 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.348 3.812 -11.965 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -20.206 6.688 -11.965 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -18.730 6.275 -12.814 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -22.111 6.860 -13.728 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.880 5.490 -15.768 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.430 3.305 -13.784 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.055 3.204 -17.164 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.479 1.549 -15.500 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.277 1.486 -17.178 1.00 0.31 H new ATOM 388 N HIS A 24 -17.484 3.896 -10.180 1.00 0.37 N ATOM 389 CA HIS A 24 -16.193 3.935 -9.477 1.00 0.45 C ATOM 390 C HIS A 24 -15.217 2.955 -10.132 1.00 0.36 C ATOM 391 O HIS A 24 -15.613 1.865 -10.559 1.00 0.34 O ATOM 392 CB HIS A 24 -16.363 3.603 -7.975 1.00 0.61 C ATOM 393 CG HIS A 24 -17.182 2.371 -7.681 1.00 1.18 C ATOM 394 ND1 HIS A 24 -18.446 2.412 -7.147 1.00 2.08 N ATOM 395 CD2 HIS A 24 -16.915 1.049 -7.836 1.00 1.66 C ATOM 396 CE1 HIS A 24 -18.929 1.203 -6.985 1.00 2.98 C ATOM 397 NE2 HIS A 24 -18.017 0.339 -7.396 1.00 2.74 N ATOM 0 H HIS A 24 -17.907 2.969 -10.214 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.792 4.946 -9.551 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -15.375 3.478 -7.532 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -16.828 4.456 -7.481 1.00 0.61 H new ATOM 0 HD2 HIS A 24 -16.004 0.627 -8.233 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -19.902 0.957 -6.586 1.00 2.98 H new ATOM 0 HE2 HIS A 24 -18.110 -0.677 -7.390 1.00 2.74 H new ATOM 405 N ASN A 25 -13.942 3.343 -10.208 1.00 0.37 N ATOM 406 CA ASN A 25 -12.898 2.496 -10.801 1.00 0.35 C ATOM 407 C ASN A 25 -12.534 1.367 -9.827 1.00 0.34 C ATOM 408 O ASN A 25 -12.055 1.614 -8.716 1.00 0.55 O ATOM 409 CB ASN A 25 -11.656 3.334 -11.187 1.00 0.44 C ATOM 410 CG ASN A 25 -11.022 4.047 -9.982 1.00 0.99 C ATOM 411 OD1 ASN A 25 -11.693 4.784 -9.259 1.00 1.71 O ATOM 412 ND2 ASN A 25 -9.731 3.837 -9.774 1.00 1.49 N ATOM 0 H ASN A 25 -13.604 4.242 -9.865 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.281 2.051 -11.719 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -10.914 2.684 -11.650 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.941 4.075 -11.934 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -9.259 4.293 -8.993 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -9.208 3.219 -10.395 1.00 1.49 H new ATOM 419 N VAL A 26 -12.797 0.128 -10.239 1.00 0.22 N ATOM 420 CA VAL A 26 -12.533 -1.051 -9.408 1.00 0.21 C ATOM 421 C VAL A 26 -11.725 -2.084 -10.195 1.00 0.18 C ATOM 422 O VAL A 26 -11.682 -2.052 -11.428 1.00 0.23 O ATOM 423 CB VAL A 26 -13.881 -1.638 -8.920 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.427 -2.708 -9.875 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.765 -2.194 -7.500 1.00 0.31 C ATOM 0 H VAL A 26 -13.197 -0.089 -11.152 1.00 0.22 H new ATOM 0 HA VAL A 26 -11.941 -0.767 -8.538 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.594 -0.814 -8.909 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.373 -3.090 -9.491 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -14.586 -2.269 -10.860 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -13.711 -3.526 -9.953 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.728 -2.598 -7.188 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.015 -2.985 -7.479 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.469 -1.396 -6.820 1.00 0.31 H new ATOM 435 N TYR A 27 -11.107 -3.011 -9.478 1.00 0.16 N ATOM 436 CA TYR A 27 -10.314 -4.079 -10.093 1.00 0.16 C ATOM 437 C TYR A 27 -11.127 -5.371 -10.049 1.00 0.19 C ATOM 438 O TYR A 27 -11.449 -5.871 -8.971 1.00 0.34 O ATOM 439 CB TYR A 27 -8.983 -4.244 -9.350 1.00 0.17 C ATOM 440 CG TYR A 27 -7.913 -4.917 -10.183 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.927 -6.289 -10.369 1.00 0.26 C ATOM 442 CD2 TYR A 27 -6.906 -4.158 -10.757 1.00 0.28 C ATOM 443 CE1 TYR A 27 -6.938 -6.897 -11.125 1.00 0.30 C ATOM 444 CE2 TYR A 27 -5.918 -4.764 -11.507 1.00 0.33 C ATOM 445 CZ TYR A 27 -5.938 -6.132 -11.690 1.00 0.29 C ATOM 446 OH TYR A 27 -4.945 -6.737 -12.427 1.00 0.37 O ATOM 0 H TYR A 27 -11.137 -3.049 -8.459 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.086 -3.829 -11.129 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.626 -3.263 -9.036 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.150 -4.828 -8.445 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -8.710 -6.886 -9.924 1.00 0.26 H new ATOM 0 HD2 TYR A 27 -6.894 -3.087 -10.617 1.00 0.28 H new ATOM 0 HE1 TYR A 27 -6.950 -7.967 -11.272 1.00 0.30 H new ATOM 0 HE2 TYR A 27 -5.132 -4.170 -11.949 1.00 0.33 H new ATOM 0 HH TYR A 27 -4.320 -6.057 -12.755 1.00 0.37 H new ATOM 456 N CYS A 28 -11.475 -5.894 -11.219 1.00 0.16 N ATOM 457 CA CYS A 28 -12.273 -7.117 -11.320 1.00 0.19 C ATOM 458 C CYS A 28 -11.403 -8.311 -11.710 1.00 0.19 C ATOM 459 O CYS A 28 -10.498 -8.193 -12.544 1.00 0.23 O ATOM 460 CB CYS A 28 -13.382 -6.918 -12.360 1.00 0.23 C ATOM 461 SG CYS A 28 -14.501 -5.575 -11.924 1.00 0.34 S ATOM 0 H CYS A 28 -11.216 -5.489 -12.119 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.714 -7.324 -10.345 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -12.932 -6.712 -13.331 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -13.951 -7.842 -12.462 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.307 -5.970 -10.983 1.00 0.34 H new ATOM 467 N VAL A 29 -11.696 -9.459 -11.107 1.00 0.21 N ATOM 468 CA VAL A 29 -10.982 -10.709 -11.370 1.00 0.24 C ATOM 469 C VAL A 29 -12.006 -11.835 -11.477 1.00 0.26 C ATOM 470 O VAL A 29 -12.923 -11.915 -10.658 1.00 0.38 O ATOM 471 CB VAL A 29 -9.990 -10.998 -10.232 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.257 -12.329 -10.447 1.00 0.37 C ATOM 473 CG2 VAL A 29 -8.978 -9.859 -10.091 1.00 0.33 C ATOM 0 H VAL A 29 -12.441 -9.551 -10.416 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.420 -10.630 -12.300 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.567 -11.074 -9.310 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.564 -12.500 -9.623 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -9.982 -13.142 -10.486 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.703 -12.292 -11.385 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.286 -10.085 -9.280 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.422 -9.749 -11.022 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.504 -8.930 -9.871 1.00 0.33 H new ATOM 483 N ILE A 30 -11.855 -12.695 -12.485 1.00 0.28 N ATOM 484 CA ILE A 30 -12.777 -13.818 -12.703 1.00 0.32 C ATOM 485 C ILE A 30 -12.105 -15.131 -12.317 1.00 0.35 C ATOM 486 O ILE A 30 -10.991 -15.429 -12.752 1.00 0.44 O ATOM 487 CB ILE A 30 -13.228 -13.876 -14.169 1.00 0.40 C ATOM 488 CG1 ILE A 30 -13.489 -12.463 -14.707 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.481 -14.749 -14.307 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.276 -12.482 -16.013 1.00 0.57 C ATOM 0 H ILE A 30 -11.100 -12.637 -13.168 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.655 -13.665 -12.075 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.430 -14.324 -14.761 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.038 -11.888 -13.962 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -12.538 -11.954 -14.865 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.789 -14.781 -15.352 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -14.260 -15.759 -13.963 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.286 -14.328 -13.704 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.437 -11.460 -16.356 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -13.715 -13.034 -16.768 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -15.239 -12.966 -15.850 1.00 0.57 H new ATOM 502 N ASN A 31 -12.805 -15.915 -11.510 1.00 0.46 N ATOM 503 CA ASN A 31 -12.332 -17.215 -11.050 1.00 0.58 C ATOM 504 C ASN A 31 -13.371 -18.283 -11.409 1.00 0.71 C ATOM 505 O ASN A 31 -14.055 -18.839 -10.546 1.00 1.20 O ATOM 506 CB ASN A 31 -12.070 -17.165 -9.532 1.00 0.73 C ATOM 507 CG ASN A 31 -11.404 -18.456 -9.044 1.00 0.93 C ATOM 508 OD1 ASN A 31 -10.441 -18.940 -9.643 1.00 1.27 O ATOM 509 ND2 ASN A 31 -11.903 -19.008 -7.949 1.00 1.47 N ATOM 0 H ASN A 31 -13.727 -15.665 -11.152 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.393 -17.471 -11.541 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -11.433 -16.312 -9.298 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -13.011 -17.015 -9.002 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -11.490 -19.862 -7.575 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -12.701 -18.579 -7.480 1.00 1.47 H new ATOM 516 N ASN A 32 -13.480 -18.555 -12.708 1.00 0.85 N ATOM 517 CA ASN A 32 -14.410 -19.555 -13.248 1.00 1.00 C ATOM 518 C ASN A 32 -15.880 -19.124 -13.082 1.00 1.00 C ATOM 519 O ASN A 32 -16.380 -18.310 -13.856 1.00 1.97 O ATOM 520 CB ASN A 32 -14.139 -20.936 -12.600 1.00 1.24 C ATOM 521 CG ASN A 32 -14.554 -22.069 -13.543 1.00 1.73 C ATOM 522 OD1 ASN A 32 -15.732 -22.233 -13.856 1.00 2.06 O ATOM 523 ND2 ASN A 32 -13.588 -22.854 -13.993 1.00 2.52 N ATOM 0 H ASN A 32 -12.924 -18.087 -13.423 1.00 0.85 H new ATOM 0 HA ASN A 32 -14.235 -19.638 -14.321 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -13.080 -21.028 -12.358 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -14.689 -21.017 -11.662 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -13.810 -23.626 -14.622 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -12.622 -22.687 -13.711 1.00 2.52 H new ATOM 530 N GLN A 33 -16.570 -19.695 -12.094 1.00 0.75 N ATOM 531 CA GLN A 33 -17.993 -19.404 -11.847 1.00 0.67 C ATOM 532 C GLN A 33 -18.200 -18.207 -10.906 1.00 0.56 C ATOM 533 O GLN A 33 -19.360 -17.794 -10.689 1.00 0.71 O ATOM 534 CB GLN A 33 -18.674 -20.655 -11.255 1.00 0.83 C ATOM 535 CG GLN A 33 -19.796 -21.179 -12.161 1.00 1.46 C ATOM 536 CD GLN A 33 -19.247 -22.171 -13.187 1.00 1.85 C ATOM 537 OE1 GLN A 33 -18.741 -23.232 -12.823 1.00 2.11 O ATOM 538 NE2 GLN A 33 -19.338 -21.833 -14.462 1.00 2.67 N ATOM 0 H GLN A 33 -16.166 -20.369 -11.443 1.00 0.75 H new ATOM 0 HA GLN A 33 -18.443 -19.139 -12.804 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -17.930 -21.438 -11.109 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -19.082 -20.416 -10.273 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -20.563 -21.662 -11.555 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -20.274 -20.345 -12.675 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -19.764 -20.944 -14.725 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -18.982 -22.461 -15.183 1.00 2.67 H new ATOM 547 N GLU A 34 -17.102 -17.661 -10.337 1.00 0.53 N ATOM 548 CA GLU A 34 -17.198 -16.530 -9.413 1.00 0.49 C ATOM 549 C GLU A 34 -16.223 -15.425 -9.807 1.00 0.45 C ATOM 550 O GLU A 34 -15.237 -15.673 -10.496 1.00 0.64 O ATOM 551 CB GLU A 34 -16.911 -17.015 -7.986 1.00 0.61 C ATOM 552 CG GLU A 34 -15.660 -17.902 -7.926 1.00 1.25 C ATOM 553 CD GLU A 34 -14.968 -17.769 -6.577 1.00 1.42 C ATOM 554 OE1 GLU A 34 -15.643 -17.907 -5.537 1.00 1.79 O ATOM 555 OE2 GLU A 34 -13.745 -17.531 -6.553 1.00 1.89 O ATOM 0 H GLU A 34 -16.151 -17.988 -10.505 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.206 -16.118 -9.459 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -16.779 -16.155 -7.330 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -17.770 -17.572 -7.612 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -15.938 -18.942 -8.096 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -14.971 -17.621 -8.723 1.00 1.25 H new ATOM 562 N MET A 35 -16.498 -14.212 -9.348 1.00 0.36 N ATOM 563 CA MET A 35 -15.646 -13.052 -9.619 1.00 0.35 C ATOM 564 C MET A 35 -15.424 -12.272 -8.323 1.00 0.32 C ATOM 565 O MET A 35 -16.268 -12.297 -7.422 1.00 0.42 O ATOM 566 CB MET A 35 -16.264 -12.150 -10.699 1.00 0.41 C ATOM 567 CG MET A 35 -17.599 -11.538 -10.267 1.00 0.43 C ATOM 568 SD MET A 35 -18.341 -10.524 -11.562 1.00 0.60 S ATOM 569 CE MET A 35 -17.165 -9.162 -11.667 1.00 1.25 C ATOM 0 H MET A 35 -17.316 -14.000 -8.777 1.00 0.36 H new ATOM 0 HA MET A 35 -14.685 -13.401 -9.997 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.564 -11.350 -10.942 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.413 -12.731 -11.609 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.290 -12.336 -9.993 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.445 -10.929 -9.376 1.00 0.43 H new ATOM 0 HE1 MET A 35 -17.691 -8.247 -11.940 1.00 1.25 H new ATOM 0 HE2 MET A 35 -16.678 -9.027 -10.701 1.00 1.25 H new ATOM 0 HE3 MET A 35 -16.414 -9.388 -12.424 1.00 1.25 H new ATOM 579 N GLY A 36 -14.280 -11.597 -8.229 1.00 0.27 N ATOM 580 CA GLY A 36 -13.921 -10.819 -7.043 1.00 0.29 C ATOM 581 C GLY A 36 -13.700 -9.346 -7.384 1.00 0.25 C ATOM 582 O GLY A 36 -13.036 -9.016 -8.376 1.00 0.28 O ATOM 0 H GLY A 36 -13.578 -11.573 -8.969 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.711 -10.906 -6.297 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.015 -11.230 -6.598 1.00 0.29 H new ATOM 586 N PHE A 37 -14.246 -8.468 -6.538 1.00 0.24 N ATOM 587 CA PHE A 37 -14.116 -7.014 -6.692 1.00 0.25 C ATOM 588 C PHE A 37 -13.045 -6.511 -5.726 1.00 0.25 C ATOM 589 O PHE A 37 -13.227 -6.566 -4.510 1.00 0.40 O ATOM 590 CB PHE A 37 -15.457 -6.322 -6.394 1.00 0.30 C ATOM 591 CG PHE A 37 -16.521 -6.619 -7.430 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.424 -6.094 -8.714 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.603 -7.417 -7.094 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.406 -6.374 -9.653 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.579 -7.693 -8.033 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.455 -7.154 -9.344 1.00 0.33 C ATOM 0 H PHE A 37 -14.793 -8.746 -5.723 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.830 -6.781 -7.718 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.813 -6.640 -5.414 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.300 -5.245 -6.342 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.585 -5.469 -8.980 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.684 -7.824 -6.097 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.326 -5.959 -10.647 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.426 -8.311 -7.775 1.00 0.45 H new ATOM 0 HZ PHE A 37 -19.204 -7.372 -10.091 1.00 0.33 H new ATOM 606 N TYR A 38 -11.921 -6.046 -6.267 1.00 0.20 N ATOM 607 CA TYR A 38 -10.803 -5.553 -5.448 1.00 0.21 C ATOM 608 C TYR A 38 -10.502 -4.080 -5.743 1.00 0.21 C ATOM 609 O TYR A 38 -11.116 -3.465 -6.618 1.00 0.23 O ATOM 610 CB TYR A 38 -9.561 -6.410 -5.711 1.00 0.23 C ATOM 611 CG TYR A 38 -9.768 -7.859 -5.352 1.00 0.27 C ATOM 612 CD1 TYR A 38 -9.655 -8.273 -4.035 1.00 0.42 C ATOM 613 CD2 TYR A 38 -10.072 -8.779 -6.340 1.00 0.27 C ATOM 614 CE1 TYR A 38 -9.844 -9.603 -3.710 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.260 -10.108 -6.014 1.00 0.35 C ATOM 616 CZ TYR A 38 -10.149 -10.511 -4.688 1.00 0.44 C ATOM 617 OH TYR A 38 -10.334 -11.838 -4.382 1.00 0.55 O ATOM 0 H TYR A 38 -11.755 -5.998 -7.272 1.00 0.20 H new ATOM 0 HA TYR A 38 -11.085 -5.629 -4.398 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.290 -6.336 -6.764 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.723 -6.014 -5.137 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -9.419 -7.556 -3.262 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -10.162 -8.458 -7.367 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -9.751 -9.926 -2.684 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.492 -10.829 -6.784 1.00 0.35 H new ATOM 0 HH TYR A 38 -10.545 -12.336 -5.199 1.00 0.55 H new ATOM 627 N LYS A 39 -9.544 -3.517 -4.997 1.00 0.25 N ATOM 628 CA LYS A 39 -9.143 -2.112 -5.150 1.00 0.29 C ATOM 629 C LYS A 39 -8.198 -1.943 -6.349 1.00 0.28 C ATOM 630 O LYS A 39 -8.411 -1.074 -7.198 1.00 0.33 O ATOM 631 CB LYS A 39 -8.466 -1.634 -3.856 1.00 0.36 C ATOM 632 CG LYS A 39 -8.166 -0.134 -3.884 1.00 0.70 C ATOM 633 CD LYS A 39 -8.017 0.444 -2.473 1.00 1.15 C ATOM 634 CE LYS A 39 -7.158 -0.452 -1.573 1.00 1.82 C ATOM 635 NZ LYS A 39 -6.682 0.267 -0.359 1.00 2.51 N ATOM 0 H LYS A 39 -9.027 -4.018 -4.274 1.00 0.25 H new ATOM 0 HA LYS A 39 -10.029 -1.506 -5.338 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -9.110 -1.859 -3.006 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.538 -2.186 -3.707 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -7.250 0.043 -4.448 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -8.968 0.387 -4.407 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -7.567 1.435 -2.533 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -9.003 0.568 -2.026 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -7.737 -1.326 -1.273 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -6.300 -0.817 -2.138 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -6.105 -0.375 0.221 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -6.108 1.086 -0.643 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -7.500 0.593 0.194 1.00 2.51 H new ATOM 649 N ASP A 40 -7.158 -2.778 -6.411 1.00 0.28 N ATOM 650 CA ASP A 40 -6.169 -2.733 -7.500 1.00 0.32 C ATOM 651 C ASP A 40 -5.567 -4.126 -7.750 1.00 0.33 C ATOM 652 O ASP A 40 -6.042 -5.127 -7.204 1.00 0.32 O ATOM 653 CB ASP A 40 -5.062 -1.704 -7.174 1.00 0.38 C ATOM 654 CG ASP A 40 -3.997 -2.278 -6.231 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.364 -2.785 -5.152 1.00 0.84 O ATOM 656 OD2 ASP A 40 -2.795 -2.206 -6.565 1.00 0.94 O ATOM 0 H ASP A 40 -6.975 -3.501 -5.715 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.674 -2.419 -8.414 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.588 -1.378 -8.100 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.511 -0.822 -6.718 1.00 0.38 H new ATOM 661 N ALA A 41 -4.509 -4.168 -8.567 1.00 0.40 N ATOM 662 CA ALA A 41 -3.813 -5.419 -8.901 1.00 0.45 C ATOM 663 C ALA A 41 -3.193 -6.063 -7.656 1.00 0.45 C ATOM 664 O ALA A 41 -3.254 -7.282 -7.488 1.00 0.47 O ATOM 665 CB ALA A 41 -2.723 -5.151 -9.943 1.00 0.55 C ATOM 0 H ALA A 41 -4.112 -3.342 -9.014 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.548 -6.112 -9.312 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.213 -6.084 -10.184 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.176 -4.741 -10.846 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -2.004 -4.437 -9.542 1.00 0.55 H new ATOM 671 N LYS A 42 -2.608 -5.242 -6.780 1.00 0.46 N ATOM 672 CA LYS A 42 -1.988 -5.734 -5.541 1.00 0.48 C ATOM 673 C LYS A 42 -3.056 -6.310 -4.607 1.00 0.43 C ATOM 674 O LYS A 42 -2.910 -7.417 -4.087 1.00 0.47 O ATOM 675 CB LYS A 42 -1.226 -4.600 -4.844 1.00 0.54 C ATOM 676 CG LYS A 42 -0.096 -4.063 -5.727 1.00 0.77 C ATOM 677 CD LYS A 42 0.687 -2.953 -5.018 1.00 1.12 C ATOM 678 CE LYS A 42 1.963 -2.581 -5.786 1.00 1.96 C ATOM 679 NZ LYS A 42 3.106 -3.469 -5.431 1.00 2.76 N ATOM 0 H LYS A 42 -2.549 -4.231 -6.904 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.282 -6.526 -5.792 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -1.916 -3.792 -4.601 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.814 -4.962 -3.902 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.580 -4.876 -5.990 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.511 -3.679 -6.659 1.00 0.77 H new ATOM 0 HD2 LYS A 42 0.055 -2.071 -4.913 1.00 1.12 H new ATOM 0 HD3 LYS A 42 0.950 -3.278 -4.011 1.00 1.12 H new ATOM 0 HE2 LYS A 42 1.773 -2.645 -6.857 1.00 1.96 H new ATOM 0 HE3 LYS A 42 2.227 -1.546 -5.570 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 3.948 -3.184 -5.971 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 3.305 -3.389 -4.413 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 2.864 -4.454 -5.660 1.00 2.76 H new ATOM 693 N SER A 43 -4.147 -5.558 -4.427 1.00 0.38 N ATOM 694 CA SER A 43 -5.271 -5.984 -3.580 1.00 0.38 C ATOM 695 C SER A 43 -5.911 -7.273 -4.119 1.00 0.39 C ATOM 696 O SER A 43 -6.346 -8.130 -3.349 1.00 0.45 O ATOM 697 CB SER A 43 -6.320 -4.873 -3.511 1.00 0.37 C ATOM 698 OG SER A 43 -5.724 -3.638 -3.139 1.00 1.04 O ATOM 0 H SER A 43 -4.278 -4.644 -4.860 1.00 0.38 H new ATOM 0 HA SER A 43 -4.888 -6.185 -2.580 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.810 -4.768 -4.479 1.00 0.37 H new ATOM 0 HB3 SER A 43 -7.093 -5.141 -2.790 1.00 0.37 H new ATOM 0 HG SER A 43 -5.547 -3.105 -3.942 1.00 1.04 H new ATOM 704 N ALA A 44 -5.968 -7.394 -5.450 1.00 0.37 N ATOM 705 CA ALA A 44 -6.552 -8.557 -6.117 1.00 0.43 C ATOM 706 C ALA A 44 -5.645 -9.788 -6.004 1.00 0.51 C ATOM 707 O ALA A 44 -6.131 -10.911 -5.859 1.00 0.59 O ATOM 708 CB ALA A 44 -6.805 -8.233 -7.593 1.00 0.43 C ATOM 0 H ALA A 44 -5.610 -6.687 -6.093 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.495 -8.790 -5.622 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -7.240 -9.102 -8.087 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.493 -7.391 -7.668 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.862 -7.976 -8.076 1.00 0.43 H new ATOM 714 N ALA A 45 -4.330 -9.572 -6.081 1.00 0.54 N ATOM 715 CA ALA A 45 -3.348 -10.662 -5.999 1.00 0.64 C ATOM 716 C ALA A 45 -3.268 -11.226 -4.576 1.00 0.68 C ATOM 717 O ALA A 45 -3.281 -12.442 -4.380 1.00 0.76 O ATOM 718 CB ALA A 45 -1.968 -10.163 -6.443 1.00 0.69 C ATOM 0 H ALA A 45 -3.916 -8.647 -6.201 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.673 -11.461 -6.665 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -1.248 -10.979 -6.378 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -2.023 -9.808 -7.472 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.650 -9.346 -5.795 1.00 0.69 H new ATOM 724 N SER A 46 -3.178 -10.337 -3.586 1.00 0.65 N ATOM 725 CA SER A 46 -3.084 -10.737 -2.175 1.00 0.73 C ATOM 726 C SER A 46 -4.442 -11.213 -1.632 1.00 0.74 C ATOM 727 O SER A 46 -4.499 -12.114 -0.798 1.00 0.84 O ATOM 728 CB SER A 46 -2.557 -9.566 -1.338 1.00 0.75 C ATOM 729 OG SER A 46 -1.382 -9.018 -1.932 1.00 1.21 O ATOM 0 H SER A 46 -3.168 -9.328 -3.734 1.00 0.65 H new ATOM 0 HA SER A 46 -2.389 -11.574 -2.105 1.00 0.73 H new ATOM 0 HB2 SER A 46 -3.324 -8.796 -1.256 1.00 0.75 H new ATOM 0 HB3 SER A 46 -2.336 -9.905 -0.326 1.00 0.75 H new ATOM 0 HG SER A 46 -1.634 -8.443 -2.684 1.00 1.21 H new ATOM 735 N GLY A 47 -5.529 -10.606 -2.110 1.00 0.70 N ATOM 736 CA GLY A 47 -6.885 -10.964 -1.677 1.00 0.74 C ATOM 737 C GLY A 47 -7.303 -10.117 -0.478 1.00 0.75 C ATOM 738 O GLY A 47 -7.594 -10.639 0.599 1.00 0.88 O ATOM 0 H GLY A 47 -5.498 -9.858 -2.803 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -7.587 -10.815 -2.498 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -6.922 -12.021 -1.414 1.00 0.74 H new ATOM 742 N ILE A 48 -7.331 -8.799 -0.683 1.00 0.67 N ATOM 743 CA ILE A 48 -7.709 -7.840 0.359 1.00 0.72 C ATOM 744 C ILE A 48 -9.189 -7.475 0.204 1.00 0.75 C ATOM 745 O ILE A 48 -9.630 -7.102 -0.883 1.00 0.75 O ATOM 746 CB ILE A 48 -6.829 -6.574 0.252 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.331 -6.925 0.219 1.00 0.78 C ATOM 748 CG2 ILE A 48 -7.106 -5.597 1.400 1.00 0.82 C ATOM 749 CD1 ILE A 48 -4.865 -7.498 1.551 1.00 0.97 C ATOM 0 H ILE A 48 -7.093 -8.366 -1.575 1.00 0.67 H new ATOM 0 HA ILE A 48 -7.555 -8.289 1.340 1.00 0.72 H new ATOM 0 HB ILE A 48 -7.093 -6.090 -0.689 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -5.142 -7.647 -0.575 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -4.752 -6.032 -0.017 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -6.469 -4.719 1.292 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -8.152 -5.292 1.374 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -6.894 -6.084 2.352 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -3.803 -7.735 1.493 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -5.031 -6.765 2.340 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -5.428 -8.405 1.774 1.00 0.97 H new ATOM 761 N PRO A 49 -9.984 -7.581 1.294 1.00 0.84 N ATOM 762 CA PRO A 49 -11.426 -7.257 1.263 1.00 0.93 C ATOM 763 C PRO A 49 -11.690 -5.756 1.080 1.00 0.93 C ATOM 764 O PRO A 49 -11.534 -4.963 2.012 1.00 1.08 O ATOM 765 CB PRO A 49 -11.945 -7.760 2.609 1.00 1.07 C ATOM 766 CG PRO A 49 -10.756 -7.764 3.512 1.00 1.06 C ATOM 767 CD PRO A 49 -9.551 -8.014 2.639 1.00 0.92 C ATOM 0 HA PRO A 49 -11.928 -7.722 0.415 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -12.730 -7.111 2.995 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -12.373 -8.758 2.518 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -10.664 -6.812 4.036 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -10.850 -8.539 4.273 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -8.686 -7.446 2.981 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -9.265 -9.066 2.646 1.00 0.92 H new ATOM 775 N TYR A 50 -12.083 -5.383 -0.136 1.00 0.87 N ATOM 776 CA TYR A 50 -12.376 -3.988 -0.493 1.00 0.91 C ATOM 777 C TYR A 50 -13.780 -3.584 -0.006 1.00 1.12 C ATOM 778 O TYR A 50 -14.007 -2.435 0.378 1.00 1.91 O ATOM 779 CB TYR A 50 -12.264 -3.839 -2.018 1.00 0.92 C ATOM 780 CG TYR A 50 -12.778 -2.518 -2.553 1.00 0.94 C ATOM 781 CD1 TYR A 50 -12.127 -1.339 -2.225 1.00 1.02 C ATOM 782 CD2 TYR A 50 -13.898 -2.481 -3.367 1.00 1.13 C ATOM 783 CE1 TYR A 50 -12.594 -0.129 -2.712 1.00 1.13 C ATOM 784 CE2 TYR A 50 -14.364 -1.270 -3.854 1.00 1.24 C ATOM 785 CZ TYR A 50 -13.725 -0.111 -3.536 1.00 1.17 C ATOM 786 OH TYR A 50 -14.174 1.103 -4.010 1.00 1.34 O ATOM 0 H TYR A 50 -12.209 -6.039 -0.907 1.00 0.87 H new ATOM 0 HA TYR A 50 -11.659 -3.326 -0.007 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -11.219 -3.953 -2.307 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -12.817 -4.650 -2.492 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -11.255 -1.364 -1.589 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -14.409 -3.397 -3.623 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -12.090 0.792 -2.458 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -15.238 -1.246 -4.488 1.00 1.24 H new ATOM 0 HH TYR A 50 -14.966 0.963 -4.570 1.00 1.34 H new ATOM 796 N HIS A 51 -14.713 -4.536 -0.026 1.00 1.28 N ATOM 797 CA HIS A 51 -16.098 -4.305 0.408 1.00 1.53 C ATOM 798 C HIS A 51 -16.617 -5.544 1.149 1.00 1.61 C ATOM 799 O HIS A 51 -15.967 -6.593 1.159 1.00 2.07 O ATOM 800 CB HIS A 51 -16.991 -4.010 -0.825 1.00 2.01 C ATOM 801 CG HIS A 51 -17.459 -2.586 -0.919 1.00 2.54 C ATOM 802 ND1 HIS A 51 -18.783 -2.227 -0.889 1.00 3.19 N ATOM 803 CD2 HIS A 51 -16.787 -1.413 -1.062 1.00 2.89 C ATOM 804 CE1 HIS A 51 -18.925 -0.930 -1.001 1.00 3.87 C ATOM 805 NE2 HIS A 51 -17.720 -0.394 -1.110 1.00 3.74 N ATOM 0 H HIS A 51 -14.534 -5.489 -0.342 1.00 1.28 H new ATOM 0 HA HIS A 51 -16.129 -3.448 1.080 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -16.436 -4.259 -1.730 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -17.861 -4.666 -0.795 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -15.715 -1.298 -1.127 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -19.861 -0.392 -1.004 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -17.515 0.600 -1.212 1.00 3.74 H new ATOM 813 N SER A 52 -17.804 -5.427 1.744 1.00 1.60 N ATOM 814 CA SER A 52 -18.438 -6.541 2.470 1.00 1.96 C ATOM 815 C SER A 52 -19.241 -7.424 1.495 1.00 1.85 C ATOM 816 O SER A 52 -20.206 -8.083 1.883 1.00 2.45 O ATOM 817 CB SER A 52 -19.357 -5.985 3.569 1.00 2.44 C ATOM 818 OG SER A 52 -18.700 -4.955 4.309 1.00 2.65 O ATOM 0 H SER A 52 -18.354 -4.568 1.740 1.00 1.60 H new ATOM 0 HA SER A 52 -17.664 -7.154 2.931 1.00 1.96 H new ATOM 0 HB2 SER A 52 -20.269 -5.591 3.121 1.00 2.44 H new ATOM 0 HB3 SER A 52 -19.654 -6.789 4.242 1.00 2.44 H new ATOM 0 HG SER A 52 -19.303 -4.614 5.002 1.00 2.65 H new ATOM 824 N GLU A 53 -18.817 -7.421 0.232 1.00 1.45 N ATOM 825 CA GLU A 53 -19.442 -8.193 -0.839 1.00 1.37 C ATOM 826 C GLU A 53 -18.451 -8.277 -2.003 1.00 1.08 C ATOM 827 O GLU A 53 -18.733 -7.817 -3.110 1.00 1.24 O ATOM 828 CB GLU A 53 -20.752 -7.512 -1.283 1.00 1.73 C ATOM 829 CG GLU A 53 -21.649 -8.467 -2.080 1.00 2.39 C ATOM 830 CD GLU A 53 -22.708 -7.688 -2.853 1.00 2.88 C ATOM 831 OE1 GLU A 53 -23.307 -6.757 -2.277 1.00 3.23 O ATOM 832 OE2 GLU A 53 -22.942 -8.001 -4.038 1.00 3.46 O ATOM 0 H GLU A 53 -18.016 -6.872 -0.080 1.00 1.45 H new ATOM 0 HA GLU A 53 -19.689 -9.197 -0.494 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -21.291 -7.154 -0.406 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -20.519 -6.639 -1.892 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -21.043 -9.052 -2.772 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -22.131 -9.173 -1.403 1.00 2.39 H new ATOM 839 N VAL A 54 -17.271 -8.842 -1.730 1.00 0.84 N ATOM 840 CA VAL A 54 -16.210 -8.965 -2.736 1.00 0.66 C ATOM 841 C VAL A 54 -16.435 -10.181 -3.657 1.00 0.55 C ATOM 842 O VAL A 54 -16.359 -10.036 -4.877 1.00 0.49 O ATOM 843 CB VAL A 54 -14.828 -9.018 -2.046 1.00 0.81 C ATOM 844 CG1 VAL A 54 -13.724 -9.482 -3.009 1.00 0.77 C ATOM 845 CG2 VAL A 54 -14.476 -7.647 -1.456 1.00 1.34 C ATOM 0 H VAL A 54 -17.025 -9.223 -0.816 1.00 0.84 H new ATOM 0 HA VAL A 54 -16.240 -8.082 -3.375 1.00 0.66 H new ATOM 0 HB VAL A 54 -14.891 -9.750 -1.241 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -12.769 -9.505 -2.484 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -13.959 -10.480 -3.378 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -13.659 -8.790 -3.849 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -13.500 -7.698 -0.973 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -14.448 -6.904 -2.253 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -15.230 -7.362 -0.722 1.00 1.34 H new ATOM 855 N PRO A 55 -16.712 -11.394 -3.106 1.00 0.62 N ATOM 856 CA PRO A 55 -16.930 -12.601 -3.925 1.00 0.59 C ATOM 857 C PRO A 55 -18.378 -12.716 -4.422 1.00 0.58 C ATOM 858 O PRO A 55 -19.295 -12.961 -3.635 1.00 0.83 O ATOM 859 CB PRO A 55 -16.586 -13.745 -2.973 1.00 0.76 C ATOM 860 CG PRO A 55 -16.812 -13.213 -1.589 1.00 0.87 C ATOM 861 CD PRO A 55 -16.827 -11.700 -1.667 1.00 0.83 C ATOM 0 HA PRO A 55 -16.325 -12.595 -4.832 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -17.215 -14.614 -3.164 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -15.552 -14.064 -3.104 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -17.755 -13.583 -1.187 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -16.024 -13.552 -0.917 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -17.747 -11.292 -1.248 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -16.001 -11.267 -1.103 1.00 0.83 H new ATOM 869 N VAL A 56 -18.571 -12.549 -5.728 1.00 0.41 N ATOM 870 CA VAL A 56 -19.897 -12.643 -6.349 1.00 0.43 C ATOM 871 C VAL A 56 -19.907 -13.785 -7.365 1.00 0.42 C ATOM 872 O VAL A 56 -18.949 -13.962 -8.125 1.00 0.43 O ATOM 873 CB VAL A 56 -20.251 -11.310 -7.025 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.596 -11.400 -7.752 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.283 -10.183 -5.993 1.00 0.63 C ATOM 0 H VAL A 56 -17.819 -12.345 -6.386 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.645 -12.850 -5.584 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.480 -11.092 -7.764 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.821 -10.442 -8.221 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.545 -12.175 -8.516 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.380 -11.647 -7.037 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.535 -9.245 -6.487 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -21.032 -10.406 -5.234 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.304 -10.093 -5.522 1.00 0.63 H new ATOM 885 N SER A 57 -20.987 -14.558 -7.365 1.00 0.47 N ATOM 886 CA SER A 57 -21.155 -15.693 -8.258 1.00 0.48 C ATOM 887 C SER A 57 -21.784 -15.255 -9.590 1.00 0.46 C ATOM 888 O SER A 57 -22.620 -14.347 -9.626 1.00 0.59 O ATOM 889 CB SER A 57 -22.041 -16.722 -7.569 1.00 0.61 C ATOM 890 OG SER A 57 -21.367 -17.313 -6.462 1.00 0.91 O ATOM 0 H SER A 57 -21.778 -14.411 -6.738 1.00 0.47 H new ATOM 0 HA SER A 57 -20.180 -16.127 -8.481 1.00 0.48 H new ATOM 0 HB2 SER A 57 -22.961 -16.246 -7.228 1.00 0.61 H new ATOM 0 HB3 SER A 57 -22.328 -17.496 -8.281 1.00 0.61 H new ATOM 0 HG SER A 57 -21.955 -17.969 -6.033 1.00 0.91 H new ATOM 896 N LEU A 58 -21.381 -15.920 -10.678 1.00 0.44 N ATOM 897 CA LEU A 58 -21.893 -15.638 -12.026 1.00 0.49 C ATOM 898 C LEU A 58 -22.750 -16.811 -12.500 1.00 0.60 C ATOM 899 O LEU A 58 -22.403 -17.505 -13.460 1.00 0.89 O ATOM 900 CB LEU A 58 -20.723 -15.411 -12.999 1.00 0.67 C ATOM 901 CG LEU A 58 -19.941 -14.133 -12.667 1.00 0.70 C ATOM 902 CD1 LEU A 58 -18.574 -14.141 -13.358 1.00 0.86 C ATOM 903 CD2 LEU A 58 -20.734 -12.881 -13.054 1.00 0.60 C ATOM 0 H LEU A 58 -20.690 -16.670 -10.650 1.00 0.44 H new ATOM 0 HA LEU A 58 -22.503 -14.735 -11.998 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -20.050 -16.268 -12.963 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -21.105 -15.348 -14.018 1.00 0.67 H new ATOM 0 HG LEU A 58 -19.783 -14.109 -11.589 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -18.036 -13.226 -13.110 1.00 0.86 H new ATOM 0 HD12 LEU A 58 -18.000 -15.003 -13.019 1.00 0.86 H new ATOM 0 HD13 LEU A 58 -18.712 -14.199 -14.438 1.00 0.86 H new ATOM 0 HD21 LEU A 58 -20.154 -11.992 -12.807 1.00 0.60 H new ATOM 0 HD22 LEU A 58 -20.937 -12.895 -14.125 1.00 0.60 H new ATOM 0 HD23 LEU A 58 -21.676 -12.863 -12.506 1.00 0.60 H new ATOM 915 N LYS A 59 -23.871 -17.027 -11.816 1.00 0.70 N ATOM 916 CA LYS A 59 -24.796 -18.112 -12.150 1.00 0.90 C ATOM 917 C LYS A 59 -25.850 -17.599 -13.130 1.00 0.87 C ATOM 918 O LYS A 59 -26.740 -16.836 -12.750 1.00 0.95 O ATOM 919 CB LYS A 59 -25.461 -18.647 -10.872 1.00 1.13 C ATOM 920 CG LYS A 59 -26.065 -20.042 -11.084 1.00 1.41 C ATOM 921 CD LYS A 59 -27.434 -20.177 -10.407 1.00 1.78 C ATOM 922 CE LYS A 59 -28.452 -19.170 -10.966 1.00 2.18 C ATOM 923 NZ LYS A 59 -29.817 -19.759 -11.082 1.00 2.83 N ATOM 0 H LYS A 59 -24.164 -16.461 -11.020 1.00 0.70 H new ATOM 0 HA LYS A 59 -24.246 -18.928 -12.619 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -24.725 -18.688 -10.069 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -26.242 -17.957 -10.553 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -26.167 -20.236 -12.152 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -25.386 -20.797 -10.686 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -27.810 -21.190 -10.548 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -27.325 -20.024 -9.333 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -28.489 -18.295 -10.318 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -28.121 -18.827 -11.946 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -30.472 -19.046 -11.463 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -29.788 -20.579 -11.721 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -30.145 -20.063 -10.143 1.00 2.83 H new ATOM 937 N GLU A 60 -25.730 -18.010 -14.396 1.00 0.89 N ATOM 938 CA GLU A 60 -26.655 -17.595 -15.462 1.00 0.93 C ATOM 939 C GLU A 60 -26.594 -16.074 -15.666 1.00 0.71 C ATOM 940 O GLU A 60 -27.619 -15.421 -15.869 1.00 0.82 O ATOM 941 CB GLU A 60 -28.097 -18.043 -15.149 1.00 1.20 C ATOM 942 CG GLU A 60 -28.181 -19.542 -14.834 1.00 1.43 C ATOM 943 CD GLU A 60 -27.830 -20.363 -16.069 1.00 1.80 C ATOM 944 OE1 GLU A 60 -28.573 -20.297 -17.069 1.00 2.04 O ATOM 945 OE2 GLU A 60 -26.809 -21.083 -16.038 1.00 2.33 O ATOM 0 H GLU A 60 -24.992 -18.638 -14.713 1.00 0.89 H new ATOM 0 HA GLU A 60 -26.345 -18.081 -16.387 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -28.477 -17.473 -14.301 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -28.739 -17.815 -16.000 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -27.499 -19.788 -14.020 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -29.186 -19.794 -14.495 1.00 1.43 H new ATOM 952 N ALA A 61 -25.380 -15.522 -15.608 1.00 0.51 N ATOM 953 CA ALA A 61 -25.161 -14.084 -15.775 1.00 0.35 C ATOM 954 C ALA A 61 -25.302 -13.684 -17.247 1.00 0.35 C ATOM 955 O ALA A 61 -24.511 -14.106 -18.094 1.00 0.43 O ATOM 956 CB ALA A 61 -23.766 -13.709 -15.264 1.00 0.31 C ATOM 0 H ALA A 61 -24.526 -16.056 -15.445 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.914 -13.548 -15.197 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.608 -12.638 -15.391 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.684 -13.966 -14.208 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -23.012 -14.256 -15.830 1.00 0.31 H new ATOM 962 N ILE A 62 -26.307 -12.862 -17.540 1.00 0.34 N ATOM 963 CA ILE A 62 -26.556 -12.380 -18.901 1.00 0.37 C ATOM 964 C ILE A 62 -25.844 -11.044 -19.096 1.00 0.31 C ATOM 965 O ILE A 62 -25.788 -10.217 -18.181 1.00 0.31 O ATOM 966 CB ILE A 62 -28.065 -12.230 -19.151 1.00 0.46 C ATOM 967 CG1 ILE A 62 -28.819 -13.471 -18.646 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.336 -12.001 -20.643 1.00 0.57 C ATOM 969 CD1 ILE A 62 -30.251 -13.519 -19.175 1.00 1.27 C ATOM 0 H ILE A 62 -26.969 -12.512 -16.848 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.168 -13.103 -19.618 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.426 -11.363 -18.598 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -28.287 -14.371 -18.956 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.834 -13.469 -17.556 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.409 -11.896 -20.806 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -27.829 -11.093 -20.970 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -27.963 -12.851 -21.215 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -30.749 -14.411 -18.795 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -30.791 -12.632 -18.843 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -30.236 -13.548 -20.264 1.00 1.27 H new ATOM 981 N CYS A 63 -25.284 -10.845 -20.282 1.00 0.34 N ATOM 982 CA CYS A 63 -24.547 -9.626 -20.603 1.00 0.33 C ATOM 983 C CYS A 63 -25.040 -9.017 -21.917 1.00 0.34 C ATOM 984 O CYS A 63 -25.416 -9.731 -22.851 1.00 0.52 O ATOM 985 CB CYS A 63 -23.044 -9.942 -20.676 1.00 0.37 C ATOM 986 SG CYS A 63 -22.022 -8.581 -20.095 1.00 0.53 S ATOM 0 H CYS A 63 -25.326 -11.519 -21.046 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.719 -8.891 -19.817 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.834 -10.830 -20.079 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -22.776 -10.179 -21.706 1.00 0.37 H new ATOM 0 HG CYS A 63 -22.783 -7.594 -19.726 1.00 0.53 H new ATOM 992 N GLU A 64 -25.021 -7.688 -21.970 1.00 0.26 N ATOM 993 CA GLU A 64 -25.444 -6.922 -23.147 1.00 0.29 C ATOM 994 C GLU A 64 -24.427 -5.816 -23.425 1.00 0.24 C ATOM 995 O GLU A 64 -23.746 -5.346 -22.513 1.00 0.36 O ATOM 996 CB GLU A 64 -26.836 -6.320 -22.920 1.00 0.33 C ATOM 997 CG GLU A 64 -27.930 -7.370 -23.117 1.00 0.81 C ATOM 998 CD GLU A 64 -29.308 -6.782 -22.850 1.00 1.41 C ATOM 999 OE1 GLU A 64 -29.430 -5.544 -22.727 1.00 1.96 O ATOM 1000 OE2 GLU A 64 -30.275 -7.558 -22.764 1.00 1.83 O ATOM 0 H GLU A 64 -24.710 -7.105 -21.193 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.496 -7.588 -24.008 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -26.898 -5.911 -21.912 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -26.994 -5.492 -23.611 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -27.888 -7.757 -24.135 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -27.755 -8.212 -22.448 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.325 -5.404 -24.682 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.381 -4.354 -25.091 1.00 0.32 C ATOM 1009 C VAL A 65 -24.052 -2.974 -25.064 1.00 0.31 C ATOM 1010 O VAL A 65 -25.196 -2.819 -25.495 1.00 0.43 O ATOM 1011 CB VAL A 65 -22.859 -4.650 -26.507 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -21.611 -3.818 -26.819 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.562 -6.143 -26.680 1.00 0.39 C ATOM 0 H VAL A 65 -24.886 -5.780 -25.446 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.548 -4.345 -24.388 1.00 0.32 H new ATOM 0 HB VAL A 65 -23.641 -4.371 -27.213 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.263 -4.047 -27.826 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -21.854 -2.758 -26.752 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -20.826 -4.056 -26.101 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.194 -6.326 -27.690 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -21.806 -6.450 -25.957 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.474 -6.717 -26.516 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.317 -1.979 -24.574 1.00 0.25 N ATOM 1024 CA ALA A 66 -23.783 -0.590 -24.490 1.00 0.31 C ATOM 1025 C ALA A 66 -22.656 0.318 -25.012 1.00 0.34 C ATOM 1026 O ALA A 66 -21.907 0.929 -24.242 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.153 -0.248 -23.039 1.00 0.36 C ATOM 0 H ALA A 66 -22.370 -2.112 -24.219 1.00 0.25 H new ATOM 0 HA ALA A 66 -24.677 -0.442 -25.096 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.498 0.785 -22.985 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -24.946 -0.914 -22.699 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.278 -0.372 -22.401 1.00 0.36 H new ATOM 1033 N LEU A 67 -22.513 0.357 -26.342 1.00 0.55 N ATOM 1034 CA LEU A 67 -21.452 1.130 -27.020 1.00 0.71 C ATOM 1035 C LEU A 67 -21.686 2.654 -26.993 1.00 0.89 C ATOM 1036 O LEU A 67 -20.986 3.392 -27.690 1.00 1.22 O ATOM 1037 CB LEU A 67 -21.327 0.644 -28.480 1.00 0.76 C ATOM 1038 CG LEU A 67 -19.886 0.255 -28.852 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -18.952 1.466 -28.776 1.00 1.39 C ATOM 1040 CD2 LEU A 67 -19.380 -0.887 -27.966 1.00 1.38 C ATOM 0 H LEU A 67 -23.127 -0.145 -26.984 1.00 0.55 H new ATOM 0 HA LEU A 67 -20.528 0.954 -26.470 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -21.982 -0.214 -28.631 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -21.672 1.430 -29.152 1.00 0.76 H new ATOM 0 HG LEU A 67 -19.890 -0.098 -29.883 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -17.940 1.162 -29.044 1.00 1.39 H new ATOM 0 HD12 LEU A 67 -19.296 2.234 -29.468 1.00 1.39 H new ATOM 0 HD13 LEU A 67 -18.955 1.864 -27.761 1.00 1.39 H new ATOM 0 HD21 LEU A 67 -18.359 -1.143 -28.250 1.00 1.38 H new ATOM 0 HD22 LEU A 67 -19.399 -0.573 -26.922 1.00 1.38 H new ATOM 0 HD23 LEU A 67 -20.021 -1.759 -28.095 1.00 1.38 H new ATOM 1052 N ASP A 68 -22.645 3.139 -26.204 1.00 0.90 N ATOM 1053 CA ASP A 68 -22.911 4.586 -26.127 1.00 1.14 C ATOM 1054 C ASP A 68 -23.765 4.941 -24.898 1.00 0.87 C ATOM 1055 O ASP A 68 -24.677 5.769 -24.981 1.00 1.00 O ATOM 1056 CB ASP A 68 -23.573 5.095 -27.437 1.00 1.59 C ATOM 1057 CG ASP A 68 -25.018 4.612 -27.607 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -25.245 3.387 -27.650 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -25.925 5.462 -27.706 1.00 2.62 O ATOM 0 H ASP A 68 -23.247 2.564 -25.614 1.00 0.90 H new ATOM 0 HA ASP A 68 -21.953 5.093 -26.012 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -23.557 6.185 -27.446 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -22.982 4.761 -28.290 1.00 1.59 H new ATOM 1064 N TYR A 69 -23.460 4.332 -23.745 1.00 0.81 N ATOM 1065 CA TYR A 69 -24.208 4.608 -22.504 1.00 0.69 C ATOM 1066 C TYR A 69 -23.705 5.893 -21.819 1.00 0.97 C ATOM 1067 O TYR A 69 -23.386 5.894 -20.633 1.00 1.47 O ATOM 1068 CB TYR A 69 -24.114 3.412 -21.543 1.00 0.58 C ATOM 1069 CG TYR A 69 -25.039 3.559 -20.354 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.406 3.434 -20.519 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -24.515 3.787 -19.093 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -27.249 3.529 -19.424 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -25.357 3.891 -17.999 1.00 0.64 C ATOM 1074 CZ TYR A 69 -26.734 3.898 -18.198 1.00 0.76 C ATOM 1075 OH TYR A 69 -27.554 3.846 -17.078 1.00 0.97 O ATOM 0 H TYR A 69 -22.708 3.650 -23.642 1.00 0.81 H new ATOM 0 HA TYR A 69 -25.254 4.761 -22.771 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -24.359 2.496 -22.081 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -23.087 3.310 -21.192 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -26.817 3.262 -21.503 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -23.447 3.884 -18.962 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -28.302 3.316 -19.529 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -24.949 3.966 -17.002 1.00 0.64 H new ATOM 0 HH TYR A 69 -27.083 3.393 -16.348 1.00 0.97 H new ATOM 1173 N HIS A 74 -16.631 2.233 -24.192 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.287 0.932 -24.370 1.00 0.38 C ATOM 1175 C HIS A 74 -17.836 0.433 -23.029 1.00 0.30 C ATOM 1176 O HIS A 74 -17.063 0.060 -22.143 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.286 -0.095 -24.937 1.00 0.64 C ATOM 1178 CG HIS A 74 -15.527 0.391 -26.148 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -14.368 1.131 -26.072 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -15.769 0.266 -27.478 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -13.927 1.442 -27.269 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -14.761 0.926 -28.158 1.00 1.53 N ATOM 0 HA HIS A 74 -18.112 1.050 -25.073 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.573 -0.361 -24.157 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -16.825 -1.005 -25.200 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -16.601 -0.256 -27.926 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -13.040 2.017 -27.489 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -14.675 1.002 -29.172 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.165 0.417 -22.892 1.00 0.26 N ATOM 1191 CA VAL A 75 -19.825 -0.049 -21.668 1.00 0.23 C ATOM 1192 C VAL A 75 -20.642 -1.307 -21.976 1.00 0.22 C ATOM 1193 O VAL A 75 -21.092 -1.503 -23.106 1.00 0.26 O ATOM 1194 CB VAL A 75 -20.741 1.064 -21.098 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.561 0.573 -19.899 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -19.915 2.282 -20.685 1.00 0.31 C ATOM 0 H VAL A 75 -19.810 0.724 -23.620 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.070 -0.289 -20.920 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.433 1.344 -21.892 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.189 1.384 -19.531 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.191 -0.262 -20.206 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -20.887 0.247 -19.106 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.576 3.052 -20.287 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.195 1.991 -19.920 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.384 2.673 -21.553 1.00 0.31 H new ATOM 1206 N PHE A 76 -20.850 -2.148 -20.971 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.642 -3.367 -21.130 1.00 0.23 C ATOM 1208 C PHE A 76 -22.472 -3.596 -19.872 1.00 0.22 C ATOM 1209 O PHE A 76 -22.011 -3.352 -18.750 1.00 0.27 O ATOM 1210 CB PHE A 76 -20.762 -4.584 -21.460 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.694 -4.910 -20.435 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -18.449 -4.302 -20.514 1.00 0.26 C ATOM 1213 CD2 PHE A 76 -19.968 -5.782 -19.397 1.00 0.27 C ATOM 1214 CE1 PHE A 76 -17.482 -4.567 -19.559 1.00 0.28 C ATOM 1215 CE2 PHE A 76 -18.998 -6.054 -18.443 1.00 0.29 C ATOM 1216 CZ PHE A 76 -17.723 -5.565 -18.599 1.00 0.29 C ATOM 0 H PHE A 76 -20.480 -2.009 -20.031 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.314 -3.239 -21.979 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.406 -5.455 -21.579 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.278 -4.412 -22.422 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -18.234 -3.620 -21.323 1.00 0.26 H new ATOM 0 HD2 PHE A 76 -20.938 -6.252 -19.329 1.00 0.27 H new ATOM 0 HE1 PHE A 76 -16.554 -4.014 -19.552 1.00 0.28 H new ATOM 0 HE2 PHE A 76 -19.245 -6.650 -17.577 1.00 0.29 H new ATOM 0 HZ PHE A 76 -16.915 -5.944 -17.991 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.709 -4.036 -20.074 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.654 -4.278 -18.989 1.00 0.28 C ATOM 1228 C LYS A 77 -24.620 -5.745 -18.556 1.00 0.31 C ATOM 1229 O LYS A 77 -24.907 -6.641 -19.347 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.064 -3.892 -19.453 1.00 0.36 C ATOM 1231 CG LYS A 77 -27.088 -4.018 -18.318 1.00 1.20 C ATOM 1232 CD LYS A 77 -28.335 -3.164 -18.577 1.00 1.33 C ATOM 1233 CE LYS A 77 -28.941 -3.421 -19.962 1.00 1.76 C ATOM 1234 NZ LYS A 77 -29.363 -4.841 -20.130 1.00 1.95 N ATOM 0 H LYS A 77 -24.087 -4.236 -21.000 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.373 -3.669 -18.130 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.057 -2.868 -19.825 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.361 -4.531 -20.284 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -27.380 -5.062 -18.206 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -26.628 -3.713 -17.378 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -29.082 -3.375 -17.812 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -28.075 -2.109 -18.487 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -29.801 -2.767 -20.109 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -28.211 -3.166 -20.730 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -29.720 -4.985 -21.096 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -28.549 -5.467 -19.965 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -30.115 -5.063 -19.446 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.289 -5.965 -17.287 1.00 0.23 N ATOM 1249 CA LEU A 78 -24.223 -7.305 -16.695 1.00 0.24 C ATOM 1250 C LEU A 78 -25.452 -7.505 -15.800 1.00 0.29 C ATOM 1251 O LEU A 78 -25.551 -6.895 -14.731 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.923 -7.441 -15.870 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.179 -8.756 -16.132 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -21.279 -9.086 -14.942 1.00 0.86 C ATOM 1255 CD2 LEU A 78 -23.135 -9.921 -16.406 1.00 0.30 C ATOM 0 H LEU A 78 -24.057 -5.217 -16.634 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.217 -8.066 -17.476 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -22.263 -6.605 -16.102 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -23.164 -7.372 -14.809 1.00 0.30 H new ATOM 0 HG LEU A 78 -21.574 -8.618 -17.028 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -20.752 -10.021 -15.132 1.00 0.86 H new ATOM 0 HD12 LEU A 78 -20.555 -8.284 -14.800 1.00 0.86 H new ATOM 0 HD13 LEU A 78 -21.887 -9.189 -14.043 1.00 0.86 H new ATOM 0 HD21 LEU A 78 -22.560 -10.829 -16.585 1.00 0.30 H new ATOM 0 HD22 LEU A 78 -23.786 -10.068 -15.544 1.00 0.30 H new ATOM 0 HD23 LEU A 78 -23.741 -9.696 -17.284 1.00 0.30 H new ATOM 1267 N ARG A 79 -26.387 -8.347 -16.238 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.615 -8.613 -15.482 1.00 0.40 C ATOM 1269 C ARG A 79 -27.544 -9.975 -14.792 1.00 0.45 C ATOM 1270 O ARG A 79 -27.486 -11.018 -15.451 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.833 -8.555 -16.416 1.00 0.50 C ATOM 1272 CG ARG A 79 -30.150 -8.491 -15.621 1.00 1.11 C ATOM 1273 CD ARG A 79 -31.130 -9.597 -16.025 1.00 1.51 C ATOM 1274 NE ARG A 79 -32.246 -9.035 -16.789 1.00 1.91 N ATOM 1275 CZ ARG A 79 -32.364 -9.205 -18.104 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -32.678 -10.395 -18.594 1.00 2.93 N ATOM 1277 NH2 ARG A 79 -32.123 -8.190 -18.923 1.00 2.99 N ATOM 0 H ARG A 79 -26.319 -8.860 -17.117 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.719 -7.846 -14.715 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.755 -7.682 -17.064 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.839 -9.432 -17.063 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.933 -8.573 -14.556 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -30.619 -7.519 -15.777 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -30.614 -10.349 -16.622 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -31.507 -10.101 -15.135 1.00 1.51 H new ATOM 0 HE ARG A 79 -32.957 -8.495 -16.297 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -32.830 -11.182 -17.963 1.00 2.93 H new ATOM 0 HH12 ARG A 79 -32.768 -10.524 -19.602 1.00 2.93 H new ATOM 0 HH21 ARG A 79 -31.848 -7.283 -18.545 1.00 2.99 H new ATOM 0 HH22 ARG A 79 -32.212 -8.316 -19.931 1.00 2.99 H new ATOM 1291 N LEU A 80 -27.584 -9.955 -13.462 1.00 0.54 N ATOM 1292 CA LEU A 80 -27.557 -11.172 -12.657 1.00 0.68 C ATOM 1293 C LEU A 80 -28.986 -11.531 -12.255 1.00 0.84 C ATOM 1294 O LEU A 80 -29.685 -10.721 -11.629 1.00 1.06 O ATOM 1295 CB LEU A 80 -26.707 -10.970 -11.395 1.00 0.82 C ATOM 1296 CG LEU A 80 -25.278 -10.514 -11.714 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -24.490 -10.314 -10.418 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -24.566 -11.521 -12.619 1.00 1.26 C ATOM 0 H LEU A 80 -27.636 -9.097 -12.914 1.00 0.54 H new ATOM 0 HA LEU A 80 -27.116 -11.977 -13.245 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -27.186 -10.230 -10.753 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -26.670 -11.903 -10.833 1.00 0.82 H new ATOM 0 HG LEU A 80 -25.334 -9.565 -12.247 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -23.476 -9.990 -10.655 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -24.980 -9.555 -9.808 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -24.451 -11.254 -9.867 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -23.555 -11.171 -12.828 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -24.519 -12.489 -12.120 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -25.116 -11.622 -13.555 1.00 1.26 H new ATOM 1310 N SER A 81 -29.404 -12.751 -12.589 1.00 1.01 N ATOM 1311 CA SER A 81 -30.745 -13.253 -12.253 1.00 1.23 C ATOM 1312 C SER A 81 -30.893 -13.404 -10.732 1.00 1.40 C ATOM 1313 O SER A 81 -32.004 -13.412 -10.198 1.00 1.92 O ATOM 1314 CB SER A 81 -30.991 -14.602 -12.958 1.00 1.52 C ATOM 1315 OG SER A 81 -29.762 -15.230 -13.324 1.00 2.18 O ATOM 0 H SER A 81 -28.828 -13.421 -13.099 1.00 1.01 H new ATOM 0 HA SER A 81 -31.489 -12.536 -12.599 1.00 1.23 H new ATOM 0 HB2 SER A 81 -31.556 -15.261 -12.299 1.00 1.52 H new ATOM 0 HB3 SER A 81 -31.600 -14.443 -13.848 1.00 1.52 H new ATOM 0 HG SER A 81 -29.516 -14.961 -14.234 1.00 2.18 H new ATOM 1321 N ASP A 82 -29.750 -13.498 -10.046 1.00 1.33 N ATOM 1322 CA ASP A 82 -29.693 -13.624 -8.588 1.00 1.76 C ATOM 1323 C ASP A 82 -30.380 -12.418 -7.929 1.00 1.31 C ATOM 1324 O ASP A 82 -31.199 -12.577 -7.019 1.00 1.74 O ATOM 1325 CB ASP A 82 -28.223 -13.717 -8.152 1.00 2.76 C ATOM 1326 CG ASP A 82 -28.098 -14.108 -6.682 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -28.418 -15.266 -6.341 1.00 3.77 O ATOM 1328 OD2 ASP A 82 -27.670 -13.260 -5.870 1.00 3.98 O ATOM 0 H ASP A 82 -28.832 -13.489 -10.491 1.00 1.33 H new ATOM 0 HA ASP A 82 -30.217 -14.526 -8.273 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -27.705 -14.451 -8.770 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -27.732 -12.758 -8.317 1.00 2.76 H new ATOM 1333 N GLY A 83 -30.067 -11.215 -8.420 1.00 1.09 N ATOM 1334 CA GLY A 83 -30.672 -9.987 -7.903 1.00 1.53 C ATOM 1335 C GLY A 83 -29.717 -8.801 -8.002 1.00 1.31 C ATOM 1336 O GLY A 83 -29.381 -8.191 -6.967 1.00 1.88 O ATOM 0 H GLY A 83 -29.398 -11.067 -9.175 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -31.583 -9.768 -8.460 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -30.962 -10.134 -6.863 1.00 1.53 H new ATOM 1340 N ASN A 84 -29.283 -8.460 -9.242 1.00 0.93 N ATOM 1341 CA ASN A 84 -28.373 -7.322 -9.440 1.00 0.71 C ATOM 1342 C ASN A 84 -28.177 -7.020 -10.929 1.00 0.62 C ATOM 1343 O ASN A 84 -28.181 -7.925 -11.767 1.00 0.65 O ATOM 1344 CB ASN A 84 -27.004 -7.601 -8.782 1.00 0.84 C ATOM 1345 CG ASN A 84 -26.601 -6.451 -7.854 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -26.437 -5.313 -8.298 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -26.446 -6.741 -6.569 1.00 1.32 N ATOM 0 H ASN A 84 -29.546 -8.950 -10.097 1.00 0.93 H new ATOM 0 HA ASN A 84 -28.828 -6.451 -8.967 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -27.051 -8.531 -8.216 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -26.245 -7.735 -9.553 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -26.182 -6.009 -5.909 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -26.591 -7.696 -6.241 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.987 -5.736 -11.235 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.756 -5.258 -12.603 1.00 0.55 C ATOM 1356 C GLU A 85 -26.609 -4.244 -12.567 1.00 0.47 C ATOM 1357 O GLU A 85 -26.763 -3.147 -12.023 1.00 0.60 O ATOM 1358 CB GLU A 85 -29.032 -4.617 -13.158 1.00 0.70 C ATOM 1359 CG GLU A 85 -30.023 -5.677 -13.641 1.00 1.16 C ATOM 1360 CD GLU A 85 -31.129 -5.042 -14.478 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -30.832 -4.490 -15.558 1.00 1.43 O ATOM 1362 OE2 GLU A 85 -32.302 -5.092 -14.057 1.00 1.39 O ATOM 0 H GLU A 85 -27.989 -4.992 -10.538 1.00 0.59 H new ATOM 0 HA GLU A 85 -27.490 -6.089 -13.256 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.499 -4.005 -12.387 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.778 -3.951 -13.983 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -29.499 -6.429 -14.232 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -30.459 -6.191 -12.784 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.455 -4.626 -13.121 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.257 -3.769 -13.126 1.00 0.31 C ATOM 1371 C TYR A 86 -23.913 -3.260 -14.526 1.00 0.29 C ATOM 1372 O TYR A 86 -24.110 -3.952 -15.524 1.00 0.40 O ATOM 1373 CB TYR A 86 -23.037 -4.551 -12.616 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.127 -5.021 -11.185 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -23.181 -4.092 -10.159 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -23.197 -6.373 -10.895 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -23.307 -4.510 -8.849 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -23.316 -6.790 -9.581 1.00 0.62 C ATOM 1379 CZ TYR A 86 -23.210 -5.901 -8.570 1.00 0.63 C ATOM 1380 OH TYR A 86 -23.511 -6.281 -7.269 1.00 0.77 O ATOM 0 H TYR A 86 -25.321 -5.529 -13.576 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.487 -2.923 -12.478 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.888 -5.419 -13.258 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.153 -3.922 -12.720 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -23.124 -3.037 -10.384 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -23.159 -7.100 -11.692 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -23.475 -3.797 -8.055 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -23.495 -7.832 -9.363 1.00 0.62 H new ATOM 0 HH TYR A 86 -23.416 -7.252 -7.182 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.321 -2.069 -14.561 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.838 -1.437 -15.790 1.00 0.23 C ATOM 1392 C LEU A 87 -21.319 -1.366 -15.676 1.00 0.22 C ATOM 1393 O LEU A 87 -20.797 -0.838 -14.685 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.404 -0.020 -15.952 1.00 0.26 C ATOM 1395 CG LEU A 87 -24.928 -0.003 -16.056 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.399 1.374 -16.512 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.434 -1.089 -17.011 1.00 0.38 C ATOM 0 H LEU A 87 -23.160 -1.506 -13.726 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.157 -2.015 -16.658 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -23.095 0.590 -15.103 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -22.978 0.437 -16.845 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.342 -0.214 -15.070 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.487 1.381 -16.585 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -25.079 2.126 -15.790 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -24.969 1.601 -17.487 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.522 -1.050 -17.063 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.017 -0.923 -18.004 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.123 -2.068 -16.646 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.613 -1.925 -16.654 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.150 -1.953 -16.631 1.00 0.19 C ATOM 1411 C PHE A 88 -18.563 -1.199 -17.819 1.00 0.20 C ATOM 1412 O PHE A 88 -18.941 -1.449 -18.960 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.675 -3.400 -16.654 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.802 -4.071 -15.311 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.858 -3.841 -14.323 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.862 -4.925 -15.070 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -17.979 -4.468 -13.096 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -19.985 -5.549 -13.846 1.00 0.25 C ATOM 1419 CZ PHE A 88 -19.032 -5.284 -12.834 1.00 0.22 C ATOM 0 H PHE A 88 -21.029 -2.366 -17.474 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.809 -1.462 -15.719 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.254 -3.957 -17.391 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.634 -3.432 -16.975 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.030 -3.174 -14.511 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.596 -5.104 -15.842 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.227 -4.307 -12.338 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.800 -6.233 -13.662 1.00 0.25 H new ATOM 0 HZ PHE A 88 -19.142 -5.729 -11.856 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.625 -0.293 -17.536 1.00 0.23 N ATOM 1430 CA GLN A 89 -16.949 0.501 -18.571 1.00 0.26 C ATOM 1431 C GLN A 89 -15.557 -0.077 -18.835 1.00 0.22 C ATOM 1432 O GLN A 89 -14.720 -0.137 -17.918 1.00 0.25 O ATOM 1433 CB GLN A 89 -16.807 1.962 -18.120 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.613 2.919 -19.301 1.00 0.52 C ATOM 1435 CD GLN A 89 -16.138 4.279 -18.798 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -16.942 5.175 -18.552 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -14.836 4.424 -18.619 1.00 1.63 N ATOM 0 H GLN A 89 -17.312 -0.087 -16.587 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.547 0.464 -19.482 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -17.695 2.255 -17.560 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -15.959 2.050 -17.441 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -15.885 2.506 -19.999 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -17.550 3.031 -19.847 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -14.203 3.654 -18.836 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -14.465 5.305 -18.264 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.311 -0.469 -20.086 1.00 0.22 N ATOM 1447 CA ALA A 90 -14.018 -1.020 -20.517 1.00 0.24 C ATOM 1448 C ALA A 90 -13.213 0.060 -21.241 1.00 0.27 C ATOM 1449 O ALA A 90 -13.764 1.081 -21.669 1.00 0.32 O ATOM 1450 CB ALA A 90 -14.240 -2.215 -21.451 1.00 0.29 C ATOM 0 H ALA A 90 -16.003 -0.415 -20.834 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.465 -1.355 -19.640 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -13.276 -2.616 -21.765 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.801 -2.988 -20.926 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.801 -1.892 -22.328 1.00 0.29 H new ATOM 1456 N LYS A 91 -11.909 -0.158 -21.364 1.00 0.35 N ATOM 1457 CA LYS A 91 -11.021 0.802 -22.025 1.00 0.44 C ATOM 1458 C LYS A 91 -11.184 0.756 -23.554 1.00 0.49 C ATOM 1459 O LYS A 91 -11.338 1.798 -24.195 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.564 0.529 -21.622 1.00 0.65 C ATOM 1461 CG LYS A 91 -9.122 -0.901 -21.961 1.00 1.26 C ATOM 1462 CD LYS A 91 -8.105 -1.423 -20.945 1.00 1.43 C ATOM 1463 CE LYS A 91 -7.058 -2.319 -21.611 1.00 1.86 C ATOM 1464 NZ LYS A 91 -6.393 -3.222 -20.628 1.00 2.29 N ATOM 0 H LYS A 91 -11.438 -0.993 -21.015 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.296 1.805 -21.699 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -8.910 1.238 -22.129 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -9.448 0.698 -20.551 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.991 -1.558 -21.979 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -8.686 -0.922 -22.960 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -7.610 -0.582 -20.459 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -8.622 -1.983 -20.165 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -7.533 -2.916 -22.389 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -6.307 -1.698 -22.100 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -5.361 -3.142 -20.726 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -6.671 -2.950 -19.663 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -6.682 -4.205 -20.808 1.00 2.29 H new ATOM 1478 N ASP A 92 -11.146 -0.451 -24.131 1.00 0.49 N ATOM 1479 CA ASP A 92 -11.276 -0.635 -25.582 1.00 0.66 C ATOM 1480 C ASP A 92 -12.292 -1.734 -25.921 1.00 0.59 C ATOM 1481 O ASP A 92 -12.854 -2.388 -25.035 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.898 -0.942 -26.204 1.00 0.84 C ATOM 1483 CG ASP A 92 -9.235 -2.187 -25.606 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -9.828 -3.277 -25.665 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -8.106 -2.071 -25.090 1.00 2.01 O ATOM 0 H ASP A 92 -11.025 -1.320 -23.611 1.00 0.49 H new ATOM 0 HA ASP A 92 -11.652 0.294 -26.010 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -10.013 -1.080 -27.279 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.242 -0.084 -26.061 1.00 0.84 H new ATOM 1490 N ASP A 93 -12.520 -1.914 -27.224 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.468 -2.908 -27.755 1.00 0.63 C ATOM 1492 C ASP A 93 -12.968 -4.348 -27.567 1.00 0.49 C ATOM 1493 O ASP A 93 -13.770 -5.263 -27.381 1.00 0.54 O ATOM 1494 CB ASP A 93 -13.768 -2.630 -29.249 1.00 0.83 C ATOM 1495 CG ASP A 93 -12.506 -2.636 -30.129 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -11.412 -2.328 -29.610 1.00 2.13 O ATOM 1497 OD2 ASP A 93 -12.592 -2.986 -31.326 1.00 2.21 O ATOM 0 H ASP A 93 -12.050 -1.372 -27.949 1.00 0.62 H new ATOM 0 HA ASP A 93 -14.390 -2.809 -27.182 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -14.466 -3.381 -29.619 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -14.263 -1.663 -29.340 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.648 -4.548 -27.608 1.00 0.41 N ATOM 1503 CA GLU A 94 -11.055 -5.885 -27.436 1.00 0.41 C ATOM 1504 C GLU A 94 -11.288 -6.406 -26.014 1.00 0.36 C ATOM 1505 O GLU A 94 -11.786 -7.518 -25.823 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.555 -5.844 -27.741 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.285 -5.295 -29.144 1.00 1.21 C ATOM 1508 CD GLU A 94 -7.809 -5.436 -29.498 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -7.412 -6.509 -29.989 1.00 2.59 O ATOM 1510 OE2 GLU A 94 -7.045 -4.471 -29.279 1.00 2.43 O ATOM 0 H GLU A 94 -10.967 -3.804 -27.759 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.541 -6.565 -28.136 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -9.049 -5.223 -27.002 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -9.137 -6.847 -27.654 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -9.893 -5.830 -29.873 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -9.578 -4.246 -29.193 1.00 1.21 H new ATOM 1517 N GLU A 95 -10.945 -5.587 -25.019 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.129 -5.949 -23.611 1.00 0.29 C ATOM 1519 C GLU A 95 -12.625 -6.113 -23.295 1.00 0.24 C ATOM 1520 O GLU A 95 -13.018 -7.057 -22.611 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.506 -4.878 -22.707 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.341 -5.383 -21.268 1.00 0.42 C ATOM 1523 CD GLU A 95 -8.969 -6.013 -21.045 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -7.951 -5.326 -21.269 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -8.907 -7.201 -20.665 1.00 1.30 O ATOM 0 H GLU A 95 -10.536 -4.664 -25.162 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.629 -6.899 -23.423 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.534 -4.585 -23.105 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.134 -3.987 -22.711 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -10.478 -4.554 -20.573 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -11.118 -6.115 -21.048 1.00 0.42 H new ATOM 1532 N MET A 96 -13.453 -5.198 -23.821 1.00 0.24 N ATOM 1533 CA MET A 96 -14.917 -5.232 -23.624 1.00 0.22 C ATOM 1534 C MET A 96 -15.498 -6.577 -24.092 1.00 0.22 C ATOM 1535 O MET A 96 -16.327 -7.177 -23.408 1.00 0.23 O ATOM 1536 CB MET A 96 -15.568 -4.078 -24.403 1.00 0.26 C ATOM 1537 CG MET A 96 -17.056 -3.918 -24.068 1.00 0.39 C ATOM 1538 SD MET A 96 -18.028 -3.417 -25.499 1.00 0.94 S ATOM 1539 CE MET A 96 -17.922 -4.891 -26.530 1.00 0.77 C ATOM 0 H MET A 96 -13.133 -4.416 -24.392 1.00 0.24 H new ATOM 0 HA MET A 96 -15.130 -5.119 -22.561 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.045 -3.149 -24.177 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.455 -4.255 -25.473 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.443 -4.861 -23.681 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.170 -3.178 -23.276 1.00 0.39 H new ATOM 0 HE1 MET A 96 -17.287 -4.687 -27.392 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.496 -5.710 -25.951 1.00 0.77 H new ATOM 0 HE3 MET A 96 -18.919 -5.169 -26.871 1.00 0.77 H new ATOM 1549 N ASN A 97 -15.033 -7.049 -25.253 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.471 -8.327 -25.831 1.00 0.28 C ATOM 1551 C ASN A 97 -15.059 -9.480 -24.921 1.00 0.26 C ATOM 1552 O ASN A 97 -15.878 -10.315 -24.533 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.818 -8.509 -27.213 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.814 -9.025 -28.258 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -16.948 -9.387 -27.943 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -15.389 -9.057 -29.510 1.00 1.24 N ATOM 0 H ASN A 97 -14.342 -6.557 -25.820 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.556 -8.322 -25.932 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -14.404 -7.557 -27.546 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.985 -9.207 -27.131 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -16.007 -9.389 -30.250 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -14.443 -8.749 -29.735 1.00 1.24 H new ATOM 1563 N THR A 98 -13.767 -9.503 -24.597 1.00 0.25 N ATOM 1564 CA THR A 98 -13.174 -10.532 -23.732 1.00 0.27 C ATOM 1565 C THR A 98 -13.875 -10.595 -22.361 1.00 0.23 C ATOM 1566 O THR A 98 -14.129 -11.687 -21.847 1.00 0.27 O ATOM 1567 CB THR A 98 -11.671 -10.261 -23.555 1.00 0.31 C ATOM 1568 OG1 THR A 98 -11.085 -9.910 -24.804 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.959 -11.490 -22.989 1.00 0.39 C ATOM 0 H THR A 98 -13.097 -8.808 -24.926 1.00 0.25 H new ATOM 0 HA THR A 98 -13.312 -11.500 -24.214 1.00 0.27 H new ATOM 0 HB THR A 98 -11.558 -9.434 -22.854 1.00 0.31 H new ATOM 0 HG1 THR A 98 -11.153 -8.941 -24.937 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.897 -11.274 -22.873 1.00 0.39 H new ATOM 0 HG22 THR A 98 -11.386 -11.743 -22.019 1.00 0.39 H new ATOM 0 HG23 THR A 98 -11.086 -12.330 -23.672 1.00 0.39 H new ATOM 1577 N TRP A 99 -14.198 -9.429 -21.785 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.882 -9.355 -20.481 1.00 0.20 C ATOM 1579 C TRP A 99 -16.264 -10.026 -20.561 1.00 0.21 C ATOM 1580 O TRP A 99 -16.606 -10.865 -19.725 1.00 0.24 O ATOM 1581 CB TRP A 99 -15.039 -7.886 -20.034 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.865 -7.352 -19.257 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.072 -6.284 -19.589 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.358 -7.850 -17.999 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.124 -6.117 -18.617 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.264 -7.050 -17.640 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.722 -8.895 -17.151 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.543 -7.267 -16.475 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -13.005 -9.118 -15.986 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.924 -8.311 -15.652 1.00 0.29 C ATOM 0 H TRP A 99 -13.997 -8.520 -22.201 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.274 -9.883 -19.747 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.191 -7.263 -20.916 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.937 -7.797 -19.422 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.178 -5.674 -20.474 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.409 -5.390 -18.625 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.560 -9.529 -17.401 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.705 -6.636 -16.217 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.290 -9.928 -15.331 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.376 -8.501 -14.741 1.00 0.29 H new ATOM 1601 N ILE A 100 -17.045 -9.654 -21.583 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.390 -10.211 -21.799 1.00 0.24 C ATOM 1603 C ILE A 100 -18.323 -11.733 -22.009 1.00 0.28 C ATOM 1604 O ILE A 100 -19.120 -12.485 -21.441 1.00 0.34 O ATOM 1605 CB ILE A 100 -19.045 -9.529 -23.014 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.317 -8.052 -22.719 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.350 -10.231 -23.410 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.642 -7.282 -24.000 1.00 0.29 C ATOM 0 H ILE A 100 -16.767 -8.963 -22.280 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.995 -10.020 -20.913 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.349 -9.603 -23.849 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -20.148 -7.965 -22.019 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.446 -7.609 -22.236 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.788 -9.726 -24.271 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -20.141 -11.270 -23.666 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -21.049 -10.197 -22.575 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -19.830 -6.236 -23.758 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -18.800 -7.349 -24.688 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.528 -7.711 -24.468 1.00 0.29 H new ATOM 1620 N GLN A 101 -17.360 -12.176 -22.819 1.00 0.29 N ATOM 1621 CA GLN A 101 -17.168 -13.606 -23.109 1.00 0.35 C ATOM 1622 C GLN A 101 -16.746 -14.370 -21.847 1.00 0.36 C ATOM 1623 O GLN A 101 -17.248 -15.464 -21.582 1.00 0.43 O ATOM 1624 CB GLN A 101 -16.112 -13.779 -24.207 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.753 -13.699 -25.599 1.00 0.48 C ATOM 1626 CD GLN A 101 -15.849 -12.976 -26.599 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -16.336 -12.276 -27.486 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -14.542 -13.142 -26.464 1.00 1.76 N ATOM 0 H GLN A 101 -16.695 -11.564 -23.291 1.00 0.29 H new ATOM 0 HA GLN A 101 -18.117 -14.017 -23.454 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -15.349 -13.007 -24.108 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.611 -14.740 -24.087 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -16.964 -14.705 -25.961 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -17.708 -13.179 -25.530 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -14.177 -13.731 -25.715 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -13.900 -12.681 -27.109 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.835 -13.781 -21.067 1.00 0.32 N ATOM 1638 CA ALA A 102 -15.348 -14.398 -19.822 1.00 0.37 C ATOM 1639 C ALA A 102 -16.492 -14.578 -18.815 1.00 0.38 C ATOM 1640 O ALA A 102 -16.592 -15.600 -18.149 1.00 0.48 O ATOM 1641 CB ALA A 102 -14.243 -13.536 -19.205 1.00 0.38 C ATOM 0 H ALA A 102 -15.416 -12.874 -21.274 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.945 -15.381 -20.065 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.890 -14.001 -18.285 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.415 -13.448 -19.908 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.637 -12.544 -18.982 1.00 0.38 H new ATOM 1647 N ILE A 103 -17.364 -13.577 -18.721 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.513 -13.625 -17.806 1.00 0.38 C ATOM 1649 C ILE A 103 -19.549 -14.652 -18.295 1.00 0.47 C ATOM 1650 O ILE A 103 -20.253 -15.268 -17.494 1.00 0.55 O ATOM 1651 CB ILE A 103 -19.140 -12.222 -17.708 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -18.203 -11.264 -16.950 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.520 -12.260 -17.045 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.380 -9.813 -17.404 1.00 0.35 C ATOM 0 H ILE A 103 -17.300 -12.718 -19.267 1.00 0.33 H new ATOM 0 HA ILE A 103 -18.176 -13.937 -16.817 1.00 0.38 H new ATOM 0 HB ILE A 103 -19.275 -11.852 -18.724 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.399 -11.336 -15.880 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -17.168 -11.569 -17.106 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.928 -11.250 -16.995 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -21.188 -12.892 -17.630 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.428 -12.664 -16.037 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.700 -9.171 -16.844 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -18.158 -9.735 -18.468 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.408 -9.498 -17.223 1.00 0.35 H new ATOM 1666 N SER A 104 -19.633 -14.826 -19.613 1.00 0.53 N ATOM 1667 CA SER A 104 -20.575 -15.767 -20.222 1.00 0.66 C ATOM 1668 C SER A 104 -20.128 -17.222 -20.014 1.00 0.72 C ATOM 1669 O SER A 104 -20.967 -18.095 -19.767 1.00 0.89 O ATOM 1670 CB SER A 104 -20.722 -15.464 -21.717 1.00 0.81 C ATOM 1671 OG SER A 104 -21.176 -14.130 -21.916 1.00 1.05 O ATOM 0 H SER A 104 -19.055 -14.323 -20.286 1.00 0.53 H new ATOM 0 HA SER A 104 -21.541 -15.644 -19.733 1.00 0.66 H new ATOM 0 HB2 SER A 104 -19.765 -15.606 -22.218 1.00 0.81 H new ATOM 0 HB3 SER A 104 -21.425 -16.164 -22.168 1.00 0.81 H new ATOM 0 HG SER A 104 -20.409 -13.520 -21.920 1.00 1.05 H new ATOM 1677 N SER A 105 -18.819 -17.486 -20.125 1.00 0.80 N ATOM 1678 CA SER A 105 -18.284 -18.845 -19.958 1.00 1.13 C ATOM 1679 C SER A 105 -16.781 -18.827 -19.636 1.00 1.23 C ATOM 1680 O SER A 105 -15.970 -19.346 -20.410 1.00 1.61 O ATOM 1681 CB SER A 105 -18.527 -19.663 -21.236 1.00 1.48 C ATOM 1682 OG SER A 105 -19.918 -19.767 -21.519 1.00 1.63 O ATOM 0 H SER A 105 -18.113 -16.779 -20.329 1.00 0.80 H new ATOM 0 HA SER A 105 -18.804 -19.306 -19.118 1.00 1.13 H new ATOM 0 HB2 SER A 105 -18.016 -19.192 -22.076 1.00 1.48 H new ATOM 0 HB3 SER A 105 -18.100 -20.659 -21.121 1.00 1.48 H new ATOM 0 HG SER A 105 -20.433 -19.512 -20.725 1.00 1.63 H new ATOM 1688 N ALA A 106 -16.408 -18.240 -18.492 1.00 1.29 N ATOM 1689 CA ALA A 106 -14.996 -18.179 -18.069 1.00 1.59 C ATOM 1690 C ALA A 106 -14.449 -19.592 -17.829 1.00 2.40 C ATOM 1691 O ALA A 106 -15.135 -20.399 -17.167 1.00 3.00 O ATOM 1692 CB ALA A 106 -14.849 -17.344 -16.785 1.00 1.90 C ATOM 1693 OXT ALA A 106 -13.340 -19.895 -18.312 1.00 3.05 O ATOM 0 H ALA A 106 -17.059 -17.801 -17.842 1.00 1.29 H new ATOM 0 HA ALA A 106 -14.424 -17.704 -18.866 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -13.800 -17.312 -16.490 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -15.206 -16.330 -16.967 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -15.436 -17.798 -15.987 1.00 1.90 H new