USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 693 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 HIS : no HD1:sc= -0.0435 K(o=-0.2,f=-0.88) USER MOD Set 1.2: A 96 MET CE :methyl 149:sc= -0.156 (180deg=-1.82!) USER MOD Set 2.1: A 84 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.13) USER MOD Set 2.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 8 LYS NZ :NH3+ 136:sc= 2.24 (180deg=-1.14) USER MOD Set 3.2: A 69 TYR OH : rot 30:sc= 0.971 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 9 HIS :FLIP no HD1:sc= 0.275 F(o=-2.2!,f=0.27) USER MOD Single : A 22 SER OG : rot 19:sc= 0.393 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 25 ASN : amide:sc=-0.00666 K(o=-0.0067,f=-1.6) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -74:sc= 0.202 USER MOD Single : A 31 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.61) USER MOD Single : A 32 ASN : amide:sc= -0.241 K(o=-0.24,f=-2!) USER MOD Single : A 33 GLN : amide:sc= -0.0285 K(o=-0.029,f=-1.4!) USER MOD Single : A 35 MET CE :methyl -162:sc= -0.0968 (180deg=-1.01) 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+ -175:sc= 0 (180deg=-0.012) USER MOD Single : A 43 SER OG : rot 92:sc= 0.766 USER MOD Single : A 46 SER OG : rot 88:sc= 1.23 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc=-0.00437 X(o=-0.0044,f=-0.31) 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+ 167:sc= 0 (180deg=-0.142) USER MOD Single : A 63 CYS SG : rot 140:sc= -0.453 USER MOD Single : A 77 LYS NZ :NH3+ 141:sc= 2.39 (180deg=0.497) USER MOD Single : A 81 SER OG : rot 180:sc= 0.0289 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 91 LYS NZ :NH3+ -134:sc= 0.787 (180deg=0.628) USER MOD Single : A 97 ASN : amide:sc= -0.0269 K(o=-0.027,f=-1.1) USER MOD Single : A 98 THR OG1 : rot 93:sc= 1.2 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 83:sc= 0.303 USER MOD Single : A 105 SER OG : rot 87:sc= 0.48 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -8.042 -10.506 -15.487 1.00 0.51 N ATOM 21 CA GLU A 2 -7.882 -9.527 -14.406 1.00 0.37 C ATOM 22 C GLU A 2 -7.581 -8.153 -14.995 1.00 0.34 C ATOM 23 O GLU A 2 -6.853 -8.039 -15.983 1.00 0.48 O ATOM 24 CB GLU A 2 -6.731 -9.938 -13.477 1.00 0.53 C ATOM 25 CG GLU A 2 -6.822 -11.409 -13.055 1.00 0.96 C ATOM 26 CD GLU A 2 -5.699 -11.750 -12.085 1.00 1.61 C ATOM 27 OE1 GLU A 2 -4.528 -11.435 -12.390 1.00 2.09 O ATOM 28 OE2 GLU A 2 -5.975 -12.331 -11.015 1.00 2.16 O ATOM 0 HA GLU A 2 -8.809 -9.489 -13.833 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -5.780 -9.765 -13.981 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -6.740 -9.306 -12.589 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -7.787 -11.601 -12.587 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -6.761 -12.051 -13.934 1.00 0.96 H new ATOM 35 N GLY A 3 -8.125 -7.111 -14.382 1.00 0.25 N ATOM 36 CA GLY A 3 -7.898 -5.746 -14.850 1.00 0.28 C ATOM 37 C GLY A 3 -8.841 -4.768 -14.161 1.00 0.22 C ATOM 38 O GLY A 3 -9.725 -5.167 -13.394 1.00 0.22 O ATOM 0 H GLY A 3 -8.726 -7.182 -13.561 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -6.865 -5.458 -14.656 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.044 -5.699 -15.929 1.00 0.28 H new ATOM 42 N PHE A 4 -8.657 -3.482 -14.454 1.00 0.24 N ATOM 43 CA PHE A 4 -9.493 -2.419 -13.891 1.00 0.21 C ATOM 44 C PHE A 4 -10.740 -2.247 -14.751 1.00 0.22 C ATOM 45 O PHE A 4 -10.691 -2.380 -15.974 1.00 0.27 O ATOM 46 CB PHE A 4 -8.721 -1.094 -13.823 1.00 0.23 C ATOM 47 CG PHE A 4 -7.936 -0.912 -12.540 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.589 -0.680 -11.335 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.553 -0.994 -12.566 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.858 -0.531 -10.167 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.825 -0.841 -11.400 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.523 -0.549 -10.180 1.00 0.41 C ATOM 0 H PHE A 4 -7.929 -3.147 -15.085 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.780 -2.700 -12.877 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.036 -1.039 -14.669 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.424 -0.268 -13.929 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.667 -0.616 -11.309 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.042 -1.178 -13.500 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -8.377 -0.398 -9.230 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.750 -0.940 -11.407 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.970 -0.344 -9.275 1.00 0.41 H new ATOM 62 N LEU A 5 -11.851 -1.956 -14.104 1.00 0.19 N ATOM 63 CA LEU A 5 -13.125 -1.770 -14.786 1.00 0.21 C ATOM 64 C LEU A 5 -13.958 -0.720 -14.068 1.00 0.20 C ATOM 65 O LEU A 5 -13.984 -0.664 -12.833 1.00 0.21 O ATOM 66 CB LEU A 5 -13.908 -3.098 -14.806 1.00 0.23 C ATOM 67 CG LEU A 5 -13.715 -3.884 -16.106 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.479 -5.205 -16.036 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.172 -3.074 -17.320 1.00 0.31 C ATOM 0 H LEU A 5 -11.901 -1.841 -13.092 1.00 0.19 H new ATOM 0 HA LEU A 5 -12.926 -1.442 -15.806 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.591 -3.714 -13.964 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -14.969 -2.891 -14.667 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.651 -4.089 -16.222 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.336 -5.758 -16.965 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.106 -5.797 -15.200 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.541 -5.004 -15.893 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.022 -3.661 -18.226 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.229 -2.830 -17.217 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.591 -2.154 -17.383 1.00 0.31 H new ATOM 81 N ASN A 6 -14.692 0.069 -14.842 1.00 0.22 N ATOM 82 CA ASN A 6 -15.589 1.069 -14.283 1.00 0.23 C ATOM 83 C ASN A 6 -16.912 0.352 -14.026 1.00 0.22 C ATOM 84 O ASN A 6 -17.510 -0.180 -14.957 1.00 0.26 O ATOM 85 CB ASN A 6 -15.758 2.242 -15.259 1.00 0.28 C ATOM 86 CG ASN A 6 -15.055 3.500 -14.743 1.00 0.72 C ATOM 87 OD1 ASN A 6 -15.706 4.453 -14.313 1.00 1.49 O ATOM 88 ND2 ASN A 6 -13.729 3.500 -14.767 1.00 1.24 N ATOM 0 H ASN A 6 -14.683 0.035 -15.861 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.198 1.495 -13.359 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -15.351 1.969 -16.233 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.819 2.448 -15.403 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -13.213 4.309 -14.421 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -13.226 2.691 -15.131 1.00 1.24 H new ATOM 95 N ARG A 7 -17.323 0.281 -12.761 1.00 0.23 N ATOM 96 CA ARG A 7 -18.542 -0.430 -12.362 1.00 0.24 C ATOM 97 C ARG A 7 -19.592 0.531 -11.799 1.00 0.25 C ATOM 98 O ARG A 7 -19.324 1.282 -10.856 1.00 0.32 O ATOM 99 CB ARG A 7 -18.191 -1.485 -11.304 1.00 0.28 C ATOM 100 CG ARG A 7 -19.348 -2.467 -11.061 1.00 0.34 C ATOM 101 CD ARG A 7 -19.782 -2.484 -9.592 1.00 0.54 C ATOM 102 NE ARG A 7 -20.707 -1.380 -9.315 1.00 0.95 N ATOM 103 CZ ARG A 7 -20.640 -0.664 -8.190 1.00 1.16 C ATOM 104 NH1 ARG A 7 -20.898 -1.237 -7.027 1.00 1.46 N ATOM 105 NH2 ARG A 7 -20.301 0.613 -8.235 1.00 1.71 N ATOM 0 H ARG A 7 -16.823 0.713 -11.984 1.00 0.23 H new ATOM 0 HA ARG A 7 -18.963 -0.909 -13.246 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.308 -2.038 -11.623 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -17.935 -0.988 -10.368 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -20.196 -2.191 -11.687 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.043 -3.469 -11.361 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -20.262 -3.435 -9.360 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -18.907 -2.403 -8.947 1.00 0.54 H new ATOM 0 HE ARG A 7 -21.424 -1.152 -10.004 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -21.148 -2.225 -6.990 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -20.847 -0.691 -6.167 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -20.090 1.053 -9.131 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -20.251 1.158 -7.374 1.00 1.71 H new ATOM 119 N LYS A 8 -20.791 0.475 -12.375 1.00 0.27 N ATOM 120 CA LYS A 8 -21.923 1.304 -11.954 1.00 0.29 C ATOM 121 C LYS A 8 -23.109 0.404 -11.617 1.00 0.29 C ATOM 122 O LYS A 8 -23.575 -0.357 -12.466 1.00 0.38 O ATOM 123 CB LYS A 8 -22.312 2.265 -13.079 1.00 0.36 C ATOM 124 CG LYS A 8 -23.169 3.426 -12.564 1.00 0.37 C ATOM 125 CD LYS A 8 -24.245 3.829 -13.582 1.00 0.50 C ATOM 126 CE LYS A 8 -25.579 4.117 -12.893 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.557 4.744 -13.822 1.00 1.02 N ATOM 0 H LYS A 8 -21.008 -0.150 -13.152 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.640 1.882 -11.075 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.411 2.659 -13.549 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.861 1.721 -13.848 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.644 3.140 -11.626 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -22.531 4.283 -12.350 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -23.918 4.713 -14.130 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -24.375 3.031 -14.313 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -25.994 3.188 -12.501 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.413 4.776 -12.041 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.488 4.297 -13.699 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -26.630 5.760 -13.614 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -26.237 4.613 -14.803 1.00 1.02 H new ATOM 141 N HIS A 9 -23.600 0.499 -10.387 1.00 0.43 N ATOM 142 CA HIS A 9 -24.750 -0.300 -9.940 1.00 0.52 C ATOM 143 C HIS A 9 -26.054 0.417 -10.312 1.00 0.58 C ATOM 144 O HIS A 9 -26.527 1.297 -9.593 1.00 0.73 O ATOM 145 CB HIS A 9 -24.677 -0.589 -8.421 1.00 0.68 C ATOM 146 CG HIS A 9 -24.296 0.585 -7.554 1.00 0.88 C ATOM 147 ND1 HIS A 9 -24.056 1.897 -7.833 1.00 1.21 N flip ATOM 148 CD2 HIS A 9 -24.092 0.474 -6.201 1.00 1.22 C flip ATOM 149 CE1 HIS A 9 -23.718 2.524 -6.651 1.00 1.69 C flip ATOM 150 NE2 HIS A 9 -23.752 1.626 -5.678 1.00 1.75 N flip ATOM 0 H HIS A 9 -23.222 1.123 -9.674 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.726 -1.264 -10.448 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -25.648 -0.961 -8.093 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -23.956 -1.390 -8.255 1.00 0.68 H new ATOM 0 HD2 HIS A 9 -24.198 -0.443 -5.641 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -23.468 3.569 -6.539 1.00 1.69 H new ATOM 0 HE2 HIS A 9 -23.549 1.801 -4.694 1.00 1.75 H new ATOM 158 N GLU A 10 -26.609 0.043 -11.465 1.00 0.60 N ATOM 159 CA GLU A 10 -27.845 0.641 -11.984 1.00 0.73 C ATOM 160 C GLU A 10 -29.069 0.121 -11.223 1.00 0.83 C ATOM 161 O GLU A 10 -29.918 0.904 -10.785 1.00 1.00 O ATOM 162 CB GLU A 10 -27.963 0.328 -13.487 1.00 0.79 C ATOM 163 CG GLU A 10 -29.284 0.816 -14.108 1.00 1.28 C ATOM 164 CD GLU A 10 -29.271 2.323 -14.346 1.00 1.19 C ATOM 165 OE1 GLU A 10 -28.511 3.043 -13.672 1.00 1.52 O ATOM 166 OE2 GLU A 10 -30.032 2.788 -15.217 1.00 1.72 O ATOM 0 H GLU A 10 -26.217 -0.682 -12.067 1.00 0.60 H new ATOM 0 HA GLU A 10 -27.807 1.721 -11.841 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.129 0.791 -14.014 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -27.876 -0.748 -13.635 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -29.455 0.300 -15.053 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -30.113 0.558 -13.449 1.00 1.28 H new ATOM 173 N TRP A 11 -29.158 -1.200 -11.082 1.00 0.82 N ATOM 174 CA TRP A 11 -30.278 -1.850 -10.392 1.00 0.96 C ATOM 175 C TRP A 11 -29.753 -2.791 -9.304 1.00 0.94 C ATOM 176 O TRP A 11 -28.740 -3.469 -9.492 1.00 0.84 O ATOM 177 CB TRP A 11 -31.119 -2.630 -11.420 1.00 1.08 C ATOM 178 CG TRP A 11 -32.430 -3.141 -10.878 1.00 1.26 C ATOM 179 CD1 TRP A 11 -33.636 -2.494 -10.893 1.00 1.54 C ATOM 180 CD2 TRP A 11 -32.661 -4.414 -10.238 1.00 1.26 C ATOM 181 NE1 TRP A 11 -34.572 -3.297 -10.305 1.00 1.67 N ATOM 182 CE2 TRP A 11 -34.016 -4.470 -9.895 1.00 1.51 C ATOM 183 CE3 TRP A 11 -31.851 -5.510 -9.924 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -34.568 -5.570 -9.257 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -32.397 -6.614 -9.287 1.00 1.35 C ATOM 186 CH2 TRP A 11 -33.745 -6.643 -8.955 1.00 1.53 C ATOM 0 H TRP A 11 -28.460 -1.851 -11.441 1.00 0.82 H new ATOM 0 HA TRP A 11 -30.903 -1.094 -9.916 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -31.318 -1.985 -12.276 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -30.535 -3.474 -11.786 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -33.818 -1.511 -11.302 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -35.555 -3.051 -10.189 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -30.801 -5.497 -10.177 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -35.617 -5.590 -9.001 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -31.768 -7.459 -9.047 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -34.155 -7.509 -8.457 1.00 1.53 H new ATOM 353 N SER A 22 -22.673 5.287 -8.104 1.00 1.32 N ATOM 354 CA SER A 22 -21.254 5.650 -8.114 1.00 0.74 C ATOM 355 C SER A 22 -20.488 4.849 -9.177 1.00 0.68 C ATOM 356 O SER A 22 -20.566 3.616 -9.211 1.00 1.69 O ATOM 357 CB SER A 22 -20.646 5.395 -6.722 1.00 1.62 C ATOM 358 OG SER A 22 -21.555 5.769 -5.688 1.00 1.86 O ATOM 0 HA SER A 22 -21.169 6.708 -8.361 1.00 0.74 H new ATOM 0 HB2 SER A 22 -20.390 4.340 -6.621 1.00 1.62 H new ATOM 0 HB3 SER A 22 -19.719 5.959 -6.618 1.00 1.62 H new ATOM 0 HG SER A 22 -22.463 5.821 -6.053 1.00 1.86 H new ATOM 364 N TRP A 23 -19.729 5.554 -10.020 1.00 0.69 N ATOM 365 CA TRP A 23 -18.915 4.929 -11.067 1.00 0.41 C ATOM 366 C TRP A 23 -17.559 4.564 -10.455 1.00 0.40 C ATOM 367 O TRP A 23 -16.642 5.385 -10.409 1.00 0.55 O ATOM 368 CB TRP A 23 -18.744 5.898 -12.258 1.00 0.43 C ATOM 369 CG TRP A 23 -19.752 5.674 -13.355 1.00 0.40 C ATOM 370 CD1 TRP A 23 -20.810 6.479 -13.688 1.00 0.45 C ATOM 371 CD2 TRP A 23 -19.796 4.554 -14.261 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.475 5.912 -14.743 1.00 0.42 N ATOM 373 CE2 TRP A 23 -20.892 4.739 -15.112 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.014 3.416 -14.428 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.215 3.824 -16.108 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.329 2.500 -15.420 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.421 2.700 -16.253 1.00 0.31 C ATOM 0 H TRP A 23 -19.661 6.571 -9.997 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.401 4.030 -11.445 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -18.830 6.924 -11.899 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -17.740 5.786 -12.668 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.075 7.405 -13.200 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.297 6.315 -15.192 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.162 3.246 -13.786 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.066 3.987 -16.753 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.717 1.619 -15.546 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.652 1.974 -17.019 1.00 0.31 H new ATOM 388 N HIS A 24 -17.466 3.339 -9.942 1.00 0.37 N ATOM 389 CA HIS A 24 -16.261 2.842 -9.275 1.00 0.45 C ATOM 390 C HIS A 24 -15.272 2.234 -10.266 1.00 0.36 C ATOM 391 O HIS A 24 -15.603 1.269 -10.953 1.00 0.34 O ATOM 392 CB HIS A 24 -16.651 1.736 -8.277 1.00 0.61 C ATOM 393 CG HIS A 24 -17.068 2.203 -6.914 1.00 1.18 C ATOM 394 ND1 HIS A 24 -17.364 3.504 -6.589 1.00 2.08 N ATOM 395 CD2 HIS A 24 -17.251 1.507 -5.766 1.00 1.66 C ATOM 396 CE1 HIS A 24 -17.706 3.606 -5.325 1.00 2.98 C ATOM 397 NE2 HIS A 24 -17.649 2.398 -4.787 1.00 2.74 N ATOM 0 H HIS A 24 -18.226 2.660 -9.977 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.793 3.691 -8.776 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -17.468 1.156 -8.707 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -15.804 1.059 -8.165 1.00 0.61 H new ATOM 0 HD2 HIS A 24 -17.111 0.444 -5.638 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -17.985 4.516 -4.814 1.00 2.98 H new ATOM 0 HE2 HIS A 24 -17.862 2.165 -3.817 1.00 2.74 H new ATOM 405 N ASN A 25 -14.037 2.733 -10.268 1.00 0.37 N ATOM 406 CA ASN A 25 -12.971 2.164 -11.104 1.00 0.35 C ATOM 407 C ASN A 25 -12.336 1.051 -10.269 1.00 0.34 C ATOM 408 O ASN A 25 -11.254 1.208 -9.695 1.00 0.55 O ATOM 409 CB ASN A 25 -11.937 3.240 -11.486 1.00 0.44 C ATOM 410 CG ASN A 25 -10.920 2.705 -12.503 1.00 0.99 C ATOM 411 OD1 ASN A 25 -11.168 1.717 -13.199 1.00 1.71 O ATOM 412 ND2 ASN A 25 -9.776 3.366 -12.597 1.00 1.49 N ATOM 0 H ASN A 25 -13.746 3.530 -9.702 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.362 1.776 -12.044 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -12.449 4.107 -11.903 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.415 3.579 -10.591 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -9.065 3.062 -13.262 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -9.607 4.179 -12.005 1.00 1.49 H new ATOM 419 N VAL A 26 -13.079 -0.046 -10.153 1.00 0.22 N ATOM 420 CA VAL A 26 -12.691 -1.196 -9.337 1.00 0.21 C ATOM 421 C VAL A 26 -11.921 -2.242 -10.156 1.00 0.18 C ATOM 422 O VAL A 26 -12.032 -2.303 -11.383 1.00 0.23 O ATOM 423 CB VAL A 26 -13.970 -1.786 -8.707 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.859 -2.458 -9.755 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.640 -2.757 -7.580 1.00 0.31 C ATOM 0 H VAL A 26 -13.975 -0.164 -10.626 1.00 0.22 H new ATOM 0 HA VAL A 26 -12.008 -0.877 -8.550 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.528 -0.952 -8.282 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.749 -2.861 -9.272 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -15.154 -1.725 -10.506 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.308 -3.267 -10.234 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.564 -3.153 -7.159 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.038 -3.577 -7.971 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.081 -2.236 -6.803 1.00 0.31 H new ATOM 435 N TYR A 27 -11.144 -3.062 -9.455 1.00 0.16 N ATOM 436 CA TYR A 27 -10.341 -4.120 -10.065 1.00 0.16 C ATOM 437 C TYR A 27 -11.127 -5.428 -10.029 1.00 0.19 C ATOM 438 O TYR A 27 -11.388 -5.975 -8.956 1.00 0.34 O ATOM 439 CB TYR A 27 -9.024 -4.253 -9.296 1.00 0.17 C ATOM 440 CG TYR A 27 -7.949 -4.996 -10.052 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.100 -4.315 -10.904 1.00 0.28 C ATOM 442 CD2 TYR A 27 -7.824 -6.366 -9.904 1.00 0.26 C ATOM 443 CE1 TYR A 27 -6.124 -5.002 -11.605 1.00 0.33 C ATOM 444 CE2 TYR A 27 -6.850 -7.052 -10.603 1.00 0.30 C ATOM 445 CZ TYR A 27 -5.964 -6.344 -11.418 1.00 0.29 C ATOM 446 OH TYR A 27 -5.034 -7.048 -12.147 1.00 0.37 O ATOM 0 H TYR A 27 -11.052 -3.012 -8.440 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.116 -3.878 -11.104 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.658 -3.257 -9.047 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.214 -4.768 -8.354 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -7.198 -3.246 -11.023 1.00 0.28 H new ATOM 0 HD2 TYR A 27 -8.489 -6.900 -9.241 1.00 0.26 H new ATOM 0 HE1 TYR A 27 -5.488 -4.475 -12.301 1.00 0.33 H new ATOM 0 HE2 TYR A 27 -6.774 -8.126 -10.520 1.00 0.30 H new ATOM 0 HH TYR A 27 -5.057 -7.991 -11.882 1.00 0.37 H new ATOM 456 N CYS A 28 -11.518 -5.909 -11.205 1.00 0.16 N ATOM 457 CA CYS A 28 -12.300 -7.138 -11.327 1.00 0.19 C ATOM 458 C CYS A 28 -11.404 -8.334 -11.664 1.00 0.19 C ATOM 459 O CYS A 28 -10.513 -8.242 -12.511 1.00 0.23 O ATOM 460 CB CYS A 28 -13.373 -6.965 -12.412 1.00 0.23 C ATOM 461 SG CYS A 28 -14.572 -5.683 -11.999 1.00 0.34 S ATOM 0 H CYS A 28 -11.304 -5.462 -12.097 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.779 -7.334 -10.368 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -12.892 -6.717 -13.358 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -13.894 -7.911 -12.558 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.371 -6.119 -11.070 1.00 0.34 H new ATOM 467 N VAL A 29 -11.663 -9.455 -10.992 1.00 0.21 N ATOM 468 CA VAL A 29 -10.918 -10.703 -11.191 1.00 0.24 C ATOM 469 C VAL A 29 -11.915 -11.852 -11.341 1.00 0.26 C ATOM 470 O VAL A 29 -12.748 -12.070 -10.460 1.00 0.38 O ATOM 471 CB VAL A 29 -9.986 -10.959 -9.991 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.295 -12.325 -10.099 1.00 0.37 C ATOM 473 CG2 VAL A 29 -8.940 -9.848 -9.870 1.00 0.33 C ATOM 0 H VAL A 29 -12.399 -9.526 -10.290 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.306 -10.629 -12.090 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.603 -10.961 -9.092 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.645 -12.473 -9.237 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -10.048 -13.113 -10.126 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.700 -12.361 -11.012 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.293 -10.049 -9.016 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.340 -9.812 -10.780 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.441 -8.890 -9.728 1.00 0.33 H new ATOM 483 N ILE A 30 -11.832 -12.578 -12.456 1.00 0.28 N ATOM 484 CA ILE A 30 -12.737 -13.703 -12.715 1.00 0.32 C ATOM 485 C ILE A 30 -12.138 -15.003 -12.174 1.00 0.35 C ATOM 486 O ILE A 30 -10.954 -15.290 -12.374 1.00 0.44 O ATOM 487 CB ILE A 30 -13.022 -13.856 -14.222 1.00 0.40 C ATOM 488 CG1 ILE A 30 -13.132 -12.493 -14.923 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.305 -14.658 -14.447 1.00 0.50 C ATOM 490 CD1 ILE A 30 -13.391 -12.660 -16.420 1.00 0.57 C ATOM 0 H ILE A 30 -11.149 -12.409 -13.195 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.677 -13.495 -12.204 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.179 -14.393 -14.657 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -13.939 -11.914 -14.474 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -12.212 -11.928 -14.771 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.490 -14.756 -15.517 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -14.197 -15.649 -14.005 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.143 -14.142 -13.979 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -13.464 -11.678 -16.888 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -12.570 -13.217 -16.871 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -14.324 -13.204 -16.569 1.00 0.57 H new ATOM 502 N ASN A 31 -12.979 -15.785 -11.511 1.00 0.46 N ATOM 503 CA ASN A 31 -12.600 -17.079 -10.943 1.00 0.58 C ATOM 504 C ASN A 31 -13.675 -18.098 -11.330 1.00 0.71 C ATOM 505 O ASN A 31 -14.396 -18.630 -10.482 1.00 1.20 O ATOM 506 CB ASN A 31 -12.459 -16.963 -9.412 1.00 0.73 C ATOM 507 CG ASN A 31 -12.012 -18.292 -8.795 1.00 0.93 C ATOM 508 OD1 ASN A 31 -11.181 -19.004 -9.356 1.00 1.27 O ATOM 509 ND2 ASN A 31 -12.562 -18.624 -7.638 1.00 1.47 N ATOM 0 H ASN A 31 -13.956 -15.539 -11.349 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.636 -17.405 -11.333 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -11.736 -16.185 -9.169 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -13.412 -16.660 -8.978 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -12.300 -19.497 -7.181 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -13.248 -18.007 -7.204 1.00 1.47 H new ATOM 516 N ASN A 32 -13.789 -18.331 -12.640 1.00 0.85 N ATOM 517 CA ASN A 32 -14.777 -19.257 -13.213 1.00 1.00 C ATOM 518 C ASN A 32 -16.190 -18.662 -13.066 1.00 1.00 C ATOM 519 O ASN A 32 -16.452 -17.561 -13.557 1.00 1.97 O ATOM 520 CB ASN A 32 -14.659 -20.658 -12.562 1.00 1.24 C ATOM 521 CG ASN A 32 -15.354 -21.732 -13.416 1.00 1.73 C ATOM 522 OD1 ASN A 32 -15.590 -21.542 -14.612 1.00 2.06 O ATOM 523 ND2 ASN A 32 -15.674 -22.863 -12.806 1.00 2.52 N ATOM 0 H ASN A 32 -13.197 -17.882 -13.339 1.00 0.85 H new ATOM 0 HA ASN A 32 -14.578 -19.388 -14.277 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -13.607 -20.915 -12.436 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -15.104 -20.638 -11.567 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -16.131 -23.612 -13.327 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -15.464 -22.985 -11.815 1.00 2.52 H new ATOM 530 N GLN A 33 -17.092 -19.368 -12.377 1.00 0.75 N ATOM 531 CA GLN A 33 -18.465 -18.882 -12.163 1.00 0.67 C ATOM 532 C GLN A 33 -18.541 -18.037 -10.884 1.00 0.56 C ATOM 533 O GLN A 33 -19.512 -18.137 -10.103 1.00 0.71 O ATOM 534 CB GLN A 33 -19.428 -20.075 -12.091 1.00 0.83 C ATOM 535 CG GLN A 33 -19.569 -20.745 -13.469 1.00 1.46 C ATOM 536 CD GLN A 33 -19.760 -22.258 -13.355 1.00 1.85 C ATOM 537 OE1 GLN A 33 -19.263 -22.902 -12.430 1.00 2.11 O ATOM 538 NE2 GLN A 33 -20.474 -22.832 -14.312 1.00 2.67 N ATOM 0 H GLN A 33 -16.899 -20.277 -11.957 1.00 0.75 H new ATOM 0 HA GLN A 33 -18.756 -18.248 -13.000 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -19.062 -20.800 -11.364 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -20.405 -19.740 -11.743 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -20.418 -20.311 -13.997 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -18.681 -20.536 -14.066 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -20.870 -22.266 -15.062 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -20.628 -23.840 -14.299 1.00 2.67 H new ATOM 547 N GLU A 34 -17.504 -17.196 -10.690 1.00 0.53 N ATOM 548 CA GLU A 34 -17.396 -16.313 -9.539 1.00 0.49 C ATOM 549 C GLU A 34 -16.454 -15.160 -9.896 1.00 0.45 C ATOM 550 O GLU A 34 -15.498 -15.353 -10.650 1.00 0.64 O ATOM 551 CB GLU A 34 -16.859 -17.098 -8.331 1.00 0.61 C ATOM 552 CG GLU A 34 -17.503 -16.625 -7.029 1.00 1.25 C ATOM 553 CD GLU A 34 -17.279 -17.646 -5.920 1.00 1.42 C ATOM 554 OE1 GLU A 34 -17.945 -18.699 -5.930 1.00 1.79 O ATOM 555 OE2 GLU A 34 -16.437 -17.398 -5.032 1.00 1.89 O ATOM 0 H GLU A 34 -16.720 -17.120 -11.338 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.375 -15.912 -9.277 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -17.054 -18.161 -8.470 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -15.777 -16.978 -8.269 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -17.081 -15.663 -6.736 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -18.572 -16.472 -7.180 1.00 1.25 H new ATOM 562 N MET A 35 -16.720 -13.967 -9.366 1.00 0.36 N ATOM 563 CA MET A 35 -15.883 -12.793 -9.636 1.00 0.35 C ATOM 564 C MET A 35 -15.581 -12.066 -8.329 1.00 0.32 C ATOM 565 O MET A 35 -16.438 -11.985 -7.443 1.00 0.42 O ATOM 566 CB MET A 35 -16.575 -11.853 -10.639 1.00 0.41 C ATOM 567 CG MET A 35 -17.829 -11.200 -10.052 1.00 0.43 C ATOM 568 SD MET A 35 -18.765 -10.259 -11.276 1.00 0.60 S ATOM 569 CE MET A 35 -17.518 -9.116 -11.897 1.00 1.25 C ATOM 0 H MET A 35 -17.509 -13.785 -8.746 1.00 0.36 H new ATOM 0 HA MET A 35 -14.943 -13.121 -10.080 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.875 -11.077 -10.949 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.845 -12.415 -11.533 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.470 -11.972 -9.626 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.540 -10.539 -9.235 1.00 0.43 H new ATOM 0 HE1 MET A 35 -18.007 -8.285 -12.405 1.00 1.25 H new ATOM 0 HE2 MET A 35 -16.927 -8.735 -11.064 1.00 1.25 H new ATOM 0 HE3 MET A 35 -16.865 -9.636 -12.598 1.00 1.25 H new ATOM 579 N GLY A 36 -14.360 -11.550 -8.214 1.00 0.27 N ATOM 580 CA GLY A 36 -13.912 -10.835 -7.017 1.00 0.29 C ATOM 581 C GLY A 36 -13.642 -9.362 -7.324 1.00 0.25 C ATOM 582 O GLY A 36 -12.937 -9.039 -8.285 1.00 0.28 O ATOM 0 H GLY A 36 -13.652 -11.614 -8.946 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.670 -10.914 -6.238 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.006 -11.301 -6.629 1.00 0.29 H new ATOM 586 N PHE A 37 -14.199 -8.484 -6.490 1.00 0.24 N ATOM 587 CA PHE A 37 -14.027 -7.032 -6.626 1.00 0.25 C ATOM 588 C PHE A 37 -12.934 -6.560 -5.661 1.00 0.25 C ATOM 589 O PHE A 37 -13.111 -6.607 -4.440 1.00 0.40 O ATOM 590 CB PHE A 37 -15.344 -6.307 -6.316 1.00 0.30 C ATOM 591 CG PHE A 37 -16.397 -6.503 -7.380 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.363 -5.739 -8.534 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.402 -7.441 -7.203 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.329 -5.911 -9.509 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.370 -7.613 -8.179 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.333 -6.848 -9.332 1.00 0.33 C ATOM 0 H PHE A 37 -14.783 -8.756 -5.699 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.737 -6.801 -7.651 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.731 -6.663 -5.361 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.146 -5.241 -6.202 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.581 -5.007 -8.673 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.430 -8.038 -6.304 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.300 -5.314 -10.409 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.153 -8.344 -8.040 1.00 0.45 H new ATOM 0 HZ PHE A 37 -19.087 -6.982 -10.093 1.00 0.33 H new ATOM 606 N TYR A 38 -11.807 -6.121 -6.215 1.00 0.20 N ATOM 607 CA TYR A 38 -10.665 -5.651 -5.423 1.00 0.21 C ATOM 608 C TYR A 38 -10.324 -4.199 -5.776 1.00 0.21 C ATOM 609 O TYR A 38 -10.837 -3.646 -6.747 1.00 0.23 O ATOM 610 CB TYR A 38 -9.464 -6.559 -5.688 1.00 0.23 C ATOM 611 CG TYR A 38 -9.720 -7.999 -5.290 1.00 0.27 C ATOM 612 CD1 TYR A 38 -9.734 -8.366 -3.956 1.00 0.42 C ATOM 613 CD2 TYR A 38 -9.949 -8.952 -6.266 1.00 0.27 C ATOM 614 CE1 TYR A 38 -9.979 -9.684 -3.601 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.192 -10.268 -5.913 1.00 0.35 C ATOM 616 CZ TYR A 38 -10.169 -10.626 -4.544 1.00 0.44 C ATOM 617 OH TYR A 38 -10.453 -11.939 -4.229 1.00 0.55 O ATOM 0 H TYR A 38 -11.656 -6.080 -7.223 1.00 0.20 H new ATOM 0 HA TYR A 38 -10.923 -5.688 -4.365 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.210 -6.519 -6.747 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.601 -6.183 -5.139 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -9.554 -7.626 -3.191 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -9.938 -8.668 -7.308 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -10.018 -9.958 -2.557 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.396 -11.010 -6.671 1.00 0.35 H new ATOM 0 HH TYR A 38 -10.555 -12.458 -5.054 1.00 0.55 H new ATOM 627 N LYS A 39 -9.452 -3.584 -4.974 1.00 0.25 N ATOM 628 CA LYS A 39 -9.040 -2.186 -5.188 1.00 0.29 C ATOM 629 C LYS A 39 -8.016 -2.066 -6.330 1.00 0.28 C ATOM 630 O LYS A 39 -8.001 -1.066 -7.044 1.00 0.33 O ATOM 631 CB LYS A 39 -8.464 -1.611 -3.887 1.00 0.36 C ATOM 632 CG LYS A 39 -8.354 -0.082 -3.935 1.00 0.70 C ATOM 633 CD LYS A 39 -8.540 0.539 -2.546 1.00 1.15 C ATOM 634 CE LYS A 39 -7.370 0.215 -1.611 1.00 1.82 C ATOM 635 NZ LYS A 39 -7.654 0.670 -0.219 1.00 2.51 N ATOM 0 H LYS A 39 -9.014 -4.029 -4.168 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.920 -1.612 -5.478 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -9.098 -1.903 -3.050 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.479 -2.040 -3.706 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -7.380 0.201 -4.334 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -9.106 0.317 -4.616 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -8.638 1.620 -2.643 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -9.468 0.173 -2.106 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -7.184 -0.859 -1.615 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -6.464 0.697 -1.977 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -6.846 0.439 0.394 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -7.808 1.698 -0.215 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -8.506 0.191 0.136 1.00 2.51 H new ATOM 649 N ASP A 40 -7.171 -3.088 -6.501 1.00 0.28 N ATOM 650 CA ASP A 40 -6.147 -3.109 -7.561 1.00 0.32 C ATOM 651 C ASP A 40 -5.528 -4.509 -7.654 1.00 0.33 C ATOM 652 O ASP A 40 -6.037 -5.465 -7.059 1.00 0.32 O ATOM 653 CB ASP A 40 -5.051 -2.038 -7.314 1.00 0.38 C ATOM 654 CG ASP A 40 -3.999 -2.502 -6.302 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.350 -2.682 -5.114 1.00 0.84 O ATOM 656 OD2 ASP A 40 -2.822 -2.657 -6.685 1.00 0.94 O ATOM 0 H ASP A 40 -7.174 -3.922 -5.914 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.628 -2.867 -8.509 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.562 -1.798 -8.258 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.517 -1.121 -6.954 1.00 0.38 H new ATOM 661 N ALA A 41 -4.419 -4.613 -8.387 1.00 0.40 N ATOM 662 CA ALA A 41 -3.696 -5.882 -8.561 1.00 0.45 C ATOM 663 C ALA A 41 -3.102 -6.373 -7.236 1.00 0.45 C ATOM 664 O ALA A 41 -3.178 -7.559 -6.920 1.00 0.47 O ATOM 665 CB ALA A 41 -2.582 -5.708 -9.595 1.00 0.55 C ATOM 0 H ALA A 41 -3.994 -3.825 -8.877 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.407 -6.630 -8.911 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.050 -6.651 -9.719 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.015 -5.407 -10.549 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -1.886 -4.941 -9.254 1.00 0.55 H new ATOM 671 N LYS A 42 -2.523 -5.456 -6.455 1.00 0.46 N ATOM 672 CA LYS A 42 -1.928 -5.804 -5.157 1.00 0.48 C ATOM 673 C LYS A 42 -3.019 -6.177 -4.153 1.00 0.43 C ATOM 674 O LYS A 42 -2.894 -7.171 -3.431 1.00 0.47 O ATOM 675 CB LYS A 42 -1.088 -4.640 -4.627 1.00 0.54 C ATOM 676 CG LYS A 42 0.135 -4.400 -5.509 1.00 0.77 C ATOM 677 CD LYS A 42 1.140 -3.466 -4.833 1.00 1.12 C ATOM 678 CE LYS A 42 2.187 -2.959 -5.830 1.00 1.96 C ATOM 679 NZ LYS A 42 3.012 -4.077 -6.377 1.00 2.76 N ATOM 0 H LYS A 42 -2.453 -4.468 -6.697 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.276 -6.667 -5.294 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -1.696 -3.736 -4.589 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.769 -4.853 -3.607 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.616 -5.352 -5.733 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.180 -3.970 -6.460 1.00 0.77 H new ATOM 0 HD2 LYS A 42 0.614 -2.619 -4.393 1.00 1.12 H new ATOM 0 HD3 LYS A 42 1.636 -3.992 -4.017 1.00 1.12 H new ATOM 0 HE2 LYS A 42 1.689 -2.439 -6.649 1.00 1.96 H new ATOM 0 HE3 LYS A 42 2.836 -2.233 -5.340 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 3.764 -3.690 -6.982 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 3.439 -4.610 -5.592 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 2.408 -4.711 -6.938 1.00 2.76 H new ATOM 693 N SER A 43 -4.101 -5.396 -4.127 1.00 0.38 N ATOM 694 CA SER A 43 -5.234 -5.661 -3.229 1.00 0.38 C ATOM 695 C SER A 43 -5.898 -6.999 -3.587 1.00 0.39 C ATOM 696 O SER A 43 -6.383 -7.713 -2.710 1.00 0.45 O ATOM 697 CB SER A 43 -6.250 -4.523 -3.318 1.00 0.37 C ATOM 698 OG SER A 43 -5.646 -3.293 -2.939 1.00 1.04 O ATOM 0 H SER A 43 -4.219 -4.573 -4.718 1.00 0.38 H new ATOM 0 HA SER A 43 -4.864 -5.722 -2.206 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.635 -4.449 -4.335 1.00 0.37 H new ATOM 0 HB3 SER A 43 -7.100 -4.734 -2.669 1.00 0.37 H new ATOM 0 HG SER A 43 -5.290 -2.845 -3.734 1.00 1.04 H new ATOM 704 N ALA A 44 -5.885 -7.341 -4.878 1.00 0.37 N ATOM 705 CA ALA A 44 -6.457 -8.603 -5.365 1.00 0.43 C ATOM 706 C ALA A 44 -5.537 -9.771 -5.011 1.00 0.51 C ATOM 707 O ALA A 44 -5.994 -10.820 -4.558 1.00 0.59 O ATOM 708 CB ALA A 44 -6.657 -8.539 -6.880 1.00 0.43 C ATOM 0 H ALA A 44 -5.482 -6.758 -5.611 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.424 -8.757 -4.885 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -7.082 -9.480 -7.231 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.336 -7.721 -7.123 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.697 -8.370 -7.367 1.00 0.43 H new ATOM 714 N ALA A 45 -4.235 -9.569 -5.219 1.00 0.54 N ATOM 715 CA ALA A 45 -3.221 -10.586 -4.927 1.00 0.64 C ATOM 716 C ALA A 45 -3.131 -10.868 -3.421 1.00 0.68 C ATOM 717 O ALA A 45 -2.915 -12.007 -3.007 1.00 0.76 O ATOM 718 CB ALA A 45 -1.859 -10.123 -5.450 1.00 0.69 C ATOM 0 H ALA A 45 -3.854 -8.700 -5.593 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.513 -11.509 -5.427 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -1.108 -10.882 -5.231 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -1.916 -9.969 -6.528 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.582 -9.187 -4.964 1.00 0.69 H new ATOM 724 N SER A 46 -3.290 -9.818 -2.614 1.00 0.65 N ATOM 725 CA SER A 46 -3.222 -9.925 -1.149 1.00 0.73 C ATOM 726 C SER A 46 -4.559 -10.410 -0.560 1.00 0.74 C ATOM 727 O SER A 46 -4.574 -11.163 0.414 1.00 0.84 O ATOM 728 CB SER A 46 -2.828 -8.569 -0.549 1.00 0.75 C ATOM 729 OG SER A 46 -1.664 -8.055 -1.189 1.00 1.21 O ATOM 0 H SER A 46 -3.469 -8.872 -2.952 1.00 0.65 H new ATOM 0 HA SER A 46 -2.463 -10.665 -0.892 1.00 0.73 H new ATOM 0 HB2 SER A 46 -3.652 -7.864 -0.660 1.00 0.75 H new ATOM 0 HB3 SER A 46 -2.643 -8.678 0.520 1.00 0.75 H new ATOM 0 HG SER A 46 -1.927 -7.536 -1.978 1.00 1.21 H new ATOM 735 N GLY A 47 -5.676 -9.987 -1.159 1.00 0.70 N ATOM 736 CA GLY A 47 -7.014 -10.391 -0.699 1.00 0.74 C ATOM 737 C GLY A 47 -7.648 -9.328 0.204 1.00 0.75 C ATOM 738 O GLY A 47 -8.187 -9.643 1.268 1.00 0.88 O ATOM 0 H GLY A 47 -5.683 -9.363 -1.966 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -7.657 -10.567 -1.561 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -6.943 -11.334 -0.157 1.00 0.74 H new ATOM 742 N ILE A 48 -7.594 -8.072 -0.238 1.00 0.67 N ATOM 743 CA ILE A 48 -8.168 -6.942 0.507 1.00 0.72 C ATOM 744 C ILE A 48 -9.539 -6.592 -0.088 1.00 0.75 C ATOM 745 O ILE A 48 -9.645 -6.303 -1.279 1.00 0.75 O ATOM 746 CB ILE A 48 -7.221 -5.732 0.440 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.765 -6.178 0.654 1.00 0.78 C ATOM 748 CG2 ILE A 48 -7.608 -4.685 1.488 1.00 0.82 C ATOM 749 CD1 ILE A 48 -4.823 -4.983 0.795 1.00 0.97 C ATOM 0 H ILE A 48 -7.154 -7.805 -1.119 1.00 0.67 H new ATOM 0 HA ILE A 48 -8.294 -7.217 1.554 1.00 0.72 H new ATOM 0 HB ILE A 48 -7.310 -5.284 -0.549 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -5.702 -6.798 1.548 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -5.446 -6.796 -0.186 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -6.926 -3.837 1.424 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -8.627 -4.346 1.304 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -7.547 -5.126 2.483 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -3.804 -5.339 0.945 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -4.866 -4.377 -0.110 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -5.126 -4.380 1.651 1.00 0.97 H new ATOM 761 N PRO A 49 -10.611 -6.627 0.731 1.00 0.84 N ATOM 762 CA PRO A 49 -11.982 -6.335 0.266 1.00 0.93 C ATOM 763 C PRO A 49 -12.232 -4.840 0.005 1.00 0.93 C ATOM 764 O PRO A 49 -11.995 -3.995 0.875 1.00 1.08 O ATOM 765 CB PRO A 49 -12.868 -6.855 1.398 1.00 1.07 C ATOM 766 CG PRO A 49 -12.012 -6.819 2.621 1.00 1.06 C ATOM 767 CD PRO A 49 -10.581 -6.975 2.166 1.00 0.92 C ATOM 0 HA PRO A 49 -12.184 -6.806 -0.696 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -13.754 -6.233 1.521 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -13.215 -7.867 1.191 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -12.145 -5.879 3.157 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -12.287 -7.620 3.308 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -9.914 -6.315 2.721 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -10.224 -7.993 2.320 1.00 0.92 H new ATOM 775 N TYR A 50 -12.714 -4.536 -1.201 1.00 0.87 N ATOM 776 CA TYR A 50 -13.022 -3.171 -1.627 1.00 0.91 C ATOM 777 C TYR A 50 -14.365 -3.166 -2.360 1.00 1.12 C ATOM 778 O TYR A 50 -14.427 -2.930 -3.569 1.00 1.91 O ATOM 779 CB TYR A 50 -11.910 -2.672 -2.543 1.00 0.92 C ATOM 780 CG TYR A 50 -12.059 -1.220 -2.927 1.00 0.94 C ATOM 781 CD1 TYR A 50 -11.976 -0.230 -1.963 1.00 1.02 C ATOM 782 CD2 TYR A 50 -12.288 -0.876 -4.248 1.00 1.13 C ATOM 783 CE1 TYR A 50 -12.116 1.099 -2.323 1.00 1.13 C ATOM 784 CE2 TYR A 50 -12.427 0.451 -4.606 1.00 1.24 C ATOM 785 CZ TYR A 50 -12.342 1.435 -3.641 1.00 1.17 C ATOM 786 OH TYR A 50 -12.484 2.757 -3.997 1.00 1.34 O ATOM 0 H TYR A 50 -12.903 -5.238 -1.916 1.00 0.87 H new ATOM 0 HA TYR A 50 -13.090 -2.510 -0.763 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -10.950 -2.813 -2.047 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -11.894 -3.280 -3.448 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -11.802 -0.495 -0.930 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -12.358 -1.647 -5.001 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -12.048 1.872 -1.572 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -12.602 0.718 -5.638 1.00 1.24 H new ATOM 0 HH TYR A 50 -12.637 2.821 -4.963 1.00 1.34 H new ATOM 796 N HIS A 51 -15.433 -3.454 -1.620 1.00 1.28 N ATOM 797 CA HIS A 51 -16.794 -3.517 -2.168 1.00 1.53 C ATOM 798 C HIS A 51 -17.757 -3.981 -1.069 1.00 1.61 C ATOM 799 O HIS A 51 -17.328 -4.415 0.005 1.00 2.07 O ATOM 800 CB HIS A 51 -16.849 -4.513 -3.360 1.00 2.01 C ATOM 801 CG HIS A 51 -17.378 -3.924 -4.639 1.00 2.54 C ATOM 802 ND1 HIS A 51 -18.319 -4.551 -5.416 1.00 3.19 N ATOM 803 CD2 HIS A 51 -17.079 -2.780 -5.310 1.00 2.89 C ATOM 804 CE1 HIS A 51 -18.583 -3.853 -6.491 1.00 3.87 C ATOM 805 NE2 HIS A 51 -17.843 -2.756 -6.463 1.00 3.74 N ATOM 0 H HIS A 51 -15.383 -3.651 -0.621 1.00 1.28 H new ATOM 0 HA HIS A 51 -17.083 -2.528 -2.523 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -15.846 -4.900 -3.540 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -17.473 -5.362 -3.080 1.00 2.01 H new ATOM 0 HD1 HIS A 51 -18.755 -5.444 -5.186 1.00 3.19 H new ATOM 0 HD2 HIS A 51 -16.372 -2.025 -4.999 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -19.283 -4.125 -7.267 1.00 3.87 H new ATOM 813 N SER A 52 -19.059 -3.931 -1.354 1.00 1.60 N ATOM 814 CA SER A 52 -20.082 -4.393 -0.402 1.00 1.96 C ATOM 815 C SER A 52 -20.022 -5.925 -0.341 1.00 1.85 C ATOM 816 O SER A 52 -19.932 -6.517 0.733 1.00 2.45 O ATOM 817 CB SER A 52 -21.475 -3.908 -0.836 1.00 2.44 C ATOM 818 OG SER A 52 -21.430 -2.540 -1.238 1.00 2.65 O ATOM 0 H SER A 52 -19.434 -3.577 -2.234 1.00 1.60 H new ATOM 0 HA SER A 52 -19.891 -3.982 0.589 1.00 1.96 H new ATOM 0 HB2 SER A 52 -21.839 -4.522 -1.659 1.00 2.44 H new ATOM 0 HB3 SER A 52 -22.180 -4.027 -0.013 1.00 2.44 H new ATOM 0 HG SER A 52 -22.325 -2.250 -1.512 1.00 2.65 H new ATOM 824 N GLU A 53 -20.001 -6.537 -1.527 1.00 1.45 N ATOM 825 CA GLU A 53 -19.874 -7.982 -1.691 1.00 1.37 C ATOM 826 C GLU A 53 -18.710 -8.220 -2.648 1.00 1.08 C ATOM 827 O GLU A 53 -18.852 -8.038 -3.860 1.00 1.24 O ATOM 828 CB GLU A 53 -21.160 -8.586 -2.268 1.00 1.73 C ATOM 829 CG GLU A 53 -22.364 -8.333 -1.356 1.00 2.39 C ATOM 830 CD GLU A 53 -23.310 -9.528 -1.376 1.00 2.88 C ATOM 831 OE1 GLU A 53 -24.110 -9.646 -2.328 1.00 3.46 O ATOM 832 OE2 GLU A 53 -23.263 -10.345 -0.436 1.00 3.23 O ATOM 0 H GLU A 53 -20.073 -6.033 -2.411 1.00 1.45 H new ATOM 0 HA GLU A 53 -19.698 -8.458 -0.726 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -21.353 -8.159 -3.252 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -21.028 -9.659 -2.407 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -22.023 -8.148 -0.337 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -22.893 -7.438 -1.682 1.00 2.39 H new ATOM 839 N VAL A 54 -17.549 -8.579 -2.102 1.00 0.84 N ATOM 840 CA VAL A 54 -16.352 -8.792 -2.917 1.00 0.66 C ATOM 841 C VAL A 54 -16.471 -10.063 -3.773 1.00 0.55 C ATOM 842 O VAL A 54 -16.321 -9.982 -4.990 1.00 0.49 O ATOM 843 CB VAL A 54 -15.084 -8.787 -2.034 1.00 0.81 C ATOM 844 CG1 VAL A 54 -13.855 -9.289 -2.805 1.00 0.77 C ATOM 845 CG2 VAL A 54 -14.831 -7.374 -1.504 1.00 1.34 C ATOM 0 H VAL A 54 -17.411 -8.728 -1.102 1.00 0.84 H new ATOM 0 HA VAL A 54 -16.261 -7.961 -3.617 1.00 0.66 H new ATOM 0 HB VAL A 54 -15.251 -9.468 -1.199 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -12.983 -9.271 -2.151 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -14.031 -10.309 -3.147 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -13.677 -8.644 -3.665 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -13.936 -7.374 -0.882 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -14.691 -6.691 -2.342 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -15.686 -7.050 -0.911 1.00 1.34 H new ATOM 855 N PRO A 55 -16.772 -11.249 -3.184 1.00 0.62 N ATOM 856 CA PRO A 55 -16.923 -12.488 -3.955 1.00 0.59 C ATOM 857 C PRO A 55 -18.369 -12.657 -4.430 1.00 0.58 C ATOM 858 O PRO A 55 -19.226 -13.114 -3.670 1.00 0.83 O ATOM 859 CB PRO A 55 -16.533 -13.574 -2.956 1.00 0.76 C ATOM 860 CG PRO A 55 -16.791 -12.995 -1.595 1.00 0.87 C ATOM 861 CD PRO A 55 -17.016 -11.501 -1.753 1.00 0.83 C ATOM 0 HA PRO A 55 -16.314 -12.512 -4.859 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -17.121 -14.478 -3.113 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -15.485 -13.851 -3.070 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -17.663 -13.465 -1.140 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -15.945 -13.185 -0.934 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -18.029 -11.218 -1.466 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -16.334 -10.927 -1.125 1.00 0.83 H new ATOM 869 N VAL A 56 -18.637 -12.274 -5.674 1.00 0.41 N ATOM 870 CA VAL A 56 -19.985 -12.364 -6.247 1.00 0.43 C ATOM 871 C VAL A 56 -20.096 -13.586 -7.164 1.00 0.42 C ATOM 872 O VAL A 56 -19.203 -13.858 -7.968 1.00 0.43 O ATOM 873 CB VAL A 56 -20.312 -11.077 -7.025 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.703 -11.147 -7.661 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.222 -9.859 -6.105 1.00 0.63 C ATOM 0 H VAL A 56 -17.937 -11.895 -6.312 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.705 -12.477 -5.436 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.577 -10.978 -7.823 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.902 -10.222 -8.203 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.745 -11.989 -8.352 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.453 -11.280 -6.881 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.456 -8.957 -6.671 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -20.933 -9.968 -5.286 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.213 -9.782 -5.701 1.00 0.63 H new ATOM 885 N SER A 57 -21.203 -14.314 -7.031 1.00 0.47 N ATOM 886 CA SER A 57 -21.474 -15.505 -7.823 1.00 0.48 C ATOM 887 C SER A 57 -21.810 -15.131 -9.273 1.00 0.46 C ATOM 888 O SER A 57 -22.778 -14.414 -9.531 1.00 0.59 O ATOM 889 CB SER A 57 -22.635 -16.253 -7.186 1.00 0.61 C ATOM 890 OG SER A 57 -22.407 -16.451 -5.794 1.00 0.91 O ATOM 0 H SER A 57 -21.941 -14.089 -6.364 1.00 0.47 H new ATOM 0 HA SER A 57 -20.588 -16.139 -7.843 1.00 0.48 H new ATOM 0 HB2 SER A 57 -23.558 -15.692 -7.332 1.00 0.61 H new ATOM 0 HB3 SER A 57 -22.766 -17.217 -7.678 1.00 0.61 H new ATOM 0 HG SER A 57 -23.166 -16.932 -5.403 1.00 0.91 H new ATOM 896 N LEU A 58 -21.004 -15.628 -10.214 1.00 0.44 N ATOM 897 CA LEU A 58 -21.204 -15.357 -11.643 1.00 0.49 C ATOM 898 C LEU A 58 -21.935 -16.527 -12.311 1.00 0.60 C ATOM 899 O LEU A 58 -21.610 -16.929 -13.431 1.00 0.89 O ATOM 900 CB LEU A 58 -19.846 -15.100 -12.317 1.00 0.67 C ATOM 901 CG LEU A 58 -19.983 -14.179 -13.536 1.00 0.70 C ATOM 902 CD1 LEU A 58 -20.413 -12.768 -13.119 1.00 0.60 C ATOM 903 CD2 LEU A 58 -18.673 -14.138 -14.320 1.00 0.86 C ATOM 0 H LEU A 58 -20.201 -16.224 -10.012 1.00 0.44 H new ATOM 0 HA LEU A 58 -21.823 -14.467 -11.756 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.162 -14.651 -11.597 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -19.407 -16.049 -12.625 1.00 0.67 H new ATOM 0 HG LEU A 58 -20.762 -14.584 -14.182 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -20.502 -12.138 -14.004 1.00 0.60 H new ATOM 0 HD12 LEU A 58 -21.376 -12.816 -12.610 1.00 0.60 H new ATOM 0 HD13 LEU A 58 -19.668 -12.345 -12.446 1.00 0.60 H new ATOM 0 HD21 LEU A 58 -18.785 -13.481 -15.182 1.00 0.86 H new ATOM 0 HD22 LEU A 58 -17.876 -13.762 -13.678 1.00 0.86 H new ATOM 0 HD23 LEU A 58 -18.421 -15.142 -14.660 1.00 0.86 H new ATOM 915 N LYS A 59 -22.939 -17.060 -11.615 1.00 0.70 N ATOM 916 CA LYS A 59 -23.747 -18.169 -12.114 1.00 0.90 C ATOM 917 C LYS A 59 -24.972 -17.599 -12.829 1.00 0.87 C ATOM 918 O LYS A 59 -25.757 -16.863 -12.226 1.00 0.95 O ATOM 919 CB LYS A 59 -24.166 -19.070 -10.937 1.00 1.13 C ATOM 920 CG LYS A 59 -23.618 -20.492 -11.093 1.00 1.41 C ATOM 921 CD LYS A 59 -24.495 -21.338 -12.022 1.00 1.78 C ATOM 922 CE LYS A 59 -23.719 -22.528 -12.595 1.00 2.18 C ATOM 923 NZ LYS A 59 -23.001 -23.290 -11.530 1.00 2.83 N ATOM 0 H LYS A 59 -23.214 -16.734 -10.689 1.00 0.70 H new ATOM 0 HA LYS A 59 -23.174 -18.773 -12.818 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -23.805 -18.641 -10.003 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -25.254 -19.103 -10.873 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -22.603 -20.450 -11.489 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -23.559 -20.969 -10.115 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -25.365 -21.699 -11.474 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -24.867 -20.718 -12.838 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -24.408 -23.193 -13.116 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -23.001 -22.171 -13.333 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -22.674 -24.200 -11.914 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -22.183 -22.739 -11.201 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -23.645 -23.463 -10.732 1.00 2.83 H new ATOM 937 N GLU A 60 -25.115 -17.926 -14.116 1.00 0.89 N ATOM 938 CA GLU A 60 -26.234 -17.448 -14.949 1.00 0.93 C ATOM 939 C GLU A 60 -26.247 -15.914 -15.017 1.00 0.71 C ATOM 940 O GLU A 60 -27.246 -15.270 -14.680 1.00 0.82 O ATOM 941 CB GLU A 60 -27.573 -17.983 -14.411 1.00 1.20 C ATOM 942 CG GLU A 60 -27.634 -19.513 -14.490 1.00 1.43 C ATOM 943 CD GLU A 60 -28.460 -20.081 -13.342 1.00 1.80 C ATOM 944 OE1 GLU A 60 -28.004 -20.016 -12.183 1.00 2.33 O ATOM 945 OE2 GLU A 60 -29.567 -20.597 -13.589 1.00 2.04 O ATOM 0 H GLU A 60 -24.461 -18.529 -14.615 1.00 0.89 H new ATOM 0 HA GLU A 60 -26.095 -17.829 -15.961 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -27.705 -17.665 -13.377 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -28.395 -17.554 -14.984 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -28.070 -19.816 -15.442 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -26.625 -19.924 -14.456 1.00 1.43 H new ATOM 952 N ALA A 61 -25.123 -15.340 -15.451 1.00 0.51 N ATOM 953 CA ALA A 61 -24.968 -13.889 -15.569 1.00 0.35 C ATOM 954 C ALA A 61 -25.156 -13.452 -17.023 1.00 0.35 C ATOM 955 O ALA A 61 -24.382 -13.844 -17.902 1.00 0.43 O ATOM 956 CB ALA A 61 -23.582 -13.469 -15.067 1.00 0.31 C ATOM 0 H ALA A 61 -24.296 -15.867 -15.730 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.729 -13.403 -14.958 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.474 -12.388 -15.158 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.471 -13.758 -14.022 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.814 -13.962 -15.664 1.00 0.31 H new ATOM 962 N ILE A 62 -26.180 -12.633 -17.268 1.00 0.34 N ATOM 963 CA ILE A 62 -26.474 -12.126 -18.609 1.00 0.37 C ATOM 964 C ILE A 62 -25.637 -10.875 -18.882 1.00 0.31 C ATOM 965 O ILE A 62 -25.646 -9.926 -18.097 1.00 0.31 O ATOM 966 CB ILE A 62 -27.967 -11.803 -18.761 1.00 0.46 C ATOM 967 CG1 ILE A 62 -28.837 -12.977 -18.288 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.287 -11.453 -20.220 1.00 0.57 C ATOM 969 CD1 ILE A 62 -30.327 -12.671 -18.447 1.00 1.27 C ATOM 0 H ILE A 62 -26.824 -12.305 -16.549 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.219 -12.899 -19.334 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.195 -10.942 -18.133 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -28.585 -13.871 -18.859 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.619 -13.195 -17.242 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.349 -11.226 -20.315 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -27.702 -10.585 -20.523 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.038 -12.299 -20.860 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -30.912 -13.524 -18.103 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -30.583 -11.792 -17.855 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -30.549 -12.479 -19.497 1.00 1.27 H new ATOM 981 N CYS A 63 -24.913 -10.889 -19.993 1.00 0.34 N ATOM 982 CA CYS A 63 -24.054 -9.771 -20.387 1.00 0.33 C ATOM 983 C CYS A 63 -24.573 -9.147 -21.692 1.00 0.34 C ATOM 984 O CYS A 63 -24.523 -9.777 -22.751 1.00 0.52 O ATOM 985 CB CYS A 63 -22.603 -10.267 -20.550 1.00 0.37 C ATOM 986 SG CYS A 63 -21.399 -9.178 -19.770 1.00 0.53 S ATOM 0 H CYS A 63 -24.902 -11.671 -20.647 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.073 -9.004 -19.613 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.515 -11.265 -20.120 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -22.372 -10.355 -21.611 1.00 0.37 H new ATOM 0 HG CYS A 63 -20.481 -9.892 -19.189 1.00 0.53 H new ATOM 992 N GLU A 64 -25.065 -7.908 -21.603 1.00 0.26 N ATOM 993 CA GLU A 64 -25.594 -7.170 -22.763 1.00 0.29 C ATOM 994 C GLU A 64 -24.624 -6.044 -23.134 1.00 0.24 C ATOM 995 O GLU A 64 -23.851 -5.593 -22.294 1.00 0.36 O ATOM 996 CB GLU A 64 -26.970 -6.574 -22.427 1.00 0.33 C ATOM 997 CG GLU A 64 -27.899 -7.604 -21.774 1.00 0.81 C ATOM 998 CD GLU A 64 -29.204 -6.942 -21.349 1.00 1.41 C ATOM 999 OE1 GLU A 64 -30.113 -6.811 -22.192 1.00 1.83 O ATOM 1000 OE2 GLU A 64 -29.324 -6.560 -20.169 1.00 1.96 O ATOM 0 H GLU A 64 -25.110 -7.385 -20.728 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.701 -7.855 -23.604 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -26.843 -5.724 -21.756 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.433 -6.195 -23.338 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -28.105 -8.414 -22.474 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -27.409 -8.048 -20.907 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.670 -5.587 -24.382 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.791 -4.505 -24.853 1.00 0.32 C ATOM 1009 C VAL A 65 -24.525 -3.159 -24.808 1.00 0.31 C ATOM 1010 O VAL A 65 -25.722 -3.082 -25.098 1.00 0.43 O ATOM 1011 CB VAL A 65 -23.314 -4.804 -26.286 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -22.271 -3.777 -26.736 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.735 -6.220 -26.381 1.00 0.39 C ATOM 0 H VAL A 65 -25.307 -5.947 -25.093 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.924 -4.446 -24.195 1.00 0.32 H new ATOM 0 HB VAL A 65 -24.177 -4.736 -26.948 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.948 -4.007 -27.751 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.709 -2.779 -26.712 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.413 -3.812 -26.065 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.404 -6.410 -27.402 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -21.888 -6.313 -25.702 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.501 -6.945 -26.107 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.787 -2.107 -24.448 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.312 -0.740 -24.363 1.00 0.31 C ATOM 1025 C ALA A 66 -23.373 0.192 -25.130 1.00 0.34 C ATOM 1026 O ALA A 66 -22.415 0.746 -24.569 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.428 -0.307 -22.895 1.00 0.36 C ATOM 0 H ALA A 66 -22.799 -2.179 -24.205 1.00 0.25 H new ATOM 0 HA ALA A 66 -25.308 -0.695 -24.804 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.819 0.709 -22.845 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.103 -0.982 -22.369 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.444 -0.341 -22.427 1.00 0.36 H new ATOM 1033 N LEU A 67 -23.635 0.330 -26.429 1.00 0.55 N ATOM 1034 CA LEU A 67 -22.816 1.159 -27.324 1.00 0.71 C ATOM 1035 C LEU A 67 -23.222 2.641 -27.266 1.00 0.89 C ATOM 1036 O LEU A 67 -22.479 3.505 -27.739 1.00 1.22 O ATOM 1037 CB LEU A 67 -22.929 0.627 -28.770 1.00 0.76 C ATOM 1038 CG LEU A 67 -21.556 0.336 -29.394 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -20.730 1.616 -29.532 1.00 1.39 C ATOM 1040 CD2 LEU A 67 -20.798 -0.717 -28.581 1.00 1.38 C ATOM 0 H LEU A 67 -24.419 -0.128 -26.894 1.00 0.55 H new ATOM 0 HA LEU A 67 -21.781 1.095 -26.989 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -23.528 -0.284 -28.774 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -23.457 1.358 -29.383 1.00 0.76 H new ATOM 0 HG LEU A 67 -21.723 -0.064 -30.394 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -19.763 1.379 -29.977 1.00 1.39 H new ATOM 0 HD12 LEU A 67 -21.259 2.324 -30.170 1.00 1.39 H new ATOM 0 HD13 LEU A 67 -20.578 2.059 -28.548 1.00 1.39 H new ATOM 0 HD21 LEU A 67 -19.829 -0.905 -29.043 1.00 1.38 H new ATOM 0 HD22 LEU A 67 -20.650 -0.354 -27.564 1.00 1.38 H new ATOM 0 HD23 LEU A 67 -21.374 -1.642 -28.556 1.00 1.38 H new ATOM 1052 N ASP A 68 -24.396 2.941 -26.697 1.00 0.90 N ATOM 1053 CA ASP A 68 -24.874 4.328 -26.602 1.00 1.14 C ATOM 1054 C ASP A 68 -25.457 4.618 -25.215 1.00 0.87 C ATOM 1055 O ASP A 68 -26.611 5.027 -25.089 1.00 1.00 O ATOM 1056 CB ASP A 68 -25.924 4.600 -27.698 1.00 1.59 C ATOM 1057 CG ASP A 68 -26.218 6.097 -27.816 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -25.327 6.857 -28.248 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -27.341 6.520 -27.470 1.00 2.62 O ATOM 0 H ASP A 68 -25.029 2.248 -26.298 1.00 0.90 H new ATOM 0 HA ASP A 68 -24.025 4.995 -26.752 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -25.564 4.220 -28.654 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -26.844 4.062 -27.467 1.00 1.59 H new ATOM 1064 N TYR A 69 -24.647 4.444 -24.170 1.00 0.81 N ATOM 1065 CA TYR A 69 -25.086 4.738 -22.801 1.00 0.69 C ATOM 1066 C TYR A 69 -24.603 6.138 -22.419 1.00 0.97 C ATOM 1067 O TYR A 69 -23.885 6.319 -21.437 1.00 1.47 O ATOM 1068 CB TYR A 69 -24.562 3.687 -21.805 1.00 0.58 C ATOM 1069 CG TYR A 69 -25.094 3.915 -20.399 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.460 3.887 -20.160 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -24.223 4.187 -19.353 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -26.950 4.130 -18.886 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.717 4.423 -18.079 1.00 0.64 C ATOM 1074 CZ TYR A 69 -26.077 4.397 -17.851 1.00 0.76 C ATOM 1075 OH TYR A 69 -26.563 4.637 -16.580 1.00 0.97 O ATOM 0 H TYR A 69 -23.688 4.103 -24.242 1.00 0.81 H new ATOM 0 HA TYR A 69 -26.175 4.701 -22.760 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -24.850 2.692 -22.144 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -23.472 3.715 -21.789 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -27.144 3.675 -20.969 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -23.158 4.215 -19.532 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -28.014 4.110 -18.704 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -24.037 4.627 -17.265 1.00 0.64 H new ATOM 0 HH TYR A 69 -27.401 4.145 -16.452 1.00 0.97 H new ATOM 1173 N HIS A 74 -16.982 2.135 -24.651 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.847 0.966 -24.844 1.00 0.38 C ATOM 1175 C HIS A 74 -18.247 0.417 -23.475 1.00 0.30 C ATOM 1176 O HIS A 74 -17.380 0.108 -22.649 1.00 0.37 O ATOM 1177 CB HIS A 74 -17.121 -0.123 -25.655 1.00 0.64 C ATOM 1178 CG HIS A 74 -16.864 0.257 -27.091 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -15.776 -0.183 -27.804 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -17.546 1.050 -27.958 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -15.780 0.306 -29.022 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -16.852 1.069 -29.153 1.00 1.53 N ATOM 0 HA HIS A 74 -18.735 1.266 -25.400 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -16.170 -0.348 -25.173 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -17.715 -1.037 -25.631 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -18.468 1.573 -27.750 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -15.038 0.118 -29.784 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -17.121 1.583 -29.992 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.557 0.308 -23.238 1.00 0.26 N ATOM 1191 CA VAL A 75 -20.095 -0.191 -21.967 1.00 0.23 C ATOM 1192 C VAL A 75 -20.912 -1.463 -22.208 1.00 0.22 C ATOM 1193 O VAL A 75 -21.396 -1.703 -23.316 1.00 0.26 O ATOM 1194 CB VAL A 75 -20.973 0.905 -21.325 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.585 0.451 -19.998 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.162 2.184 -21.100 1.00 0.31 C ATOM 0 H VAL A 75 -20.273 0.562 -23.918 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.276 -0.435 -21.290 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.787 1.104 -22.022 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.194 1.255 -19.584 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.209 -0.427 -20.166 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -20.789 0.201 -19.297 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.799 2.944 -20.647 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.323 1.971 -20.437 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.786 2.549 -22.056 1.00 0.31 H new ATOM 1206 N PHE A 76 -21.072 -2.268 -21.162 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.850 -3.507 -21.234 1.00 0.23 C ATOM 1208 C PHE A 76 -22.575 -3.734 -19.904 1.00 0.22 C ATOM 1209 O PHE A 76 -22.032 -3.459 -18.832 1.00 0.27 O ATOM 1210 CB PHE A 76 -20.963 -4.708 -21.616 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.791 -4.981 -20.692 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -18.595 -4.289 -20.848 1.00 0.26 C ATOM 1213 CD2 PHE A 76 -19.899 -5.946 -19.701 1.00 0.27 C ATOM 1214 CE1 PHE A 76 -17.520 -4.564 -20.018 1.00 0.28 C ATOM 1215 CE2 PHE A 76 -18.825 -6.216 -18.870 1.00 0.29 C ATOM 1216 CZ PHE A 76 -17.635 -5.527 -19.028 1.00 0.29 C ATOM 0 H PHE A 76 -20.669 -2.084 -20.243 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.596 -3.411 -22.023 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.588 -5.600 -21.653 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.578 -4.546 -22.623 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -18.504 -3.536 -21.617 1.00 0.26 H new ATOM 0 HD2 PHE A 76 -20.825 -6.489 -19.577 1.00 0.27 H new ATOM 0 HE1 PHE A 76 -16.591 -4.027 -20.143 1.00 0.28 H new ATOM 0 HE2 PHE A 76 -18.916 -6.965 -18.097 1.00 0.29 H new ATOM 0 HZ PHE A 76 -16.797 -5.740 -18.381 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.815 -4.215 -19.984 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.638 -4.467 -18.801 1.00 0.28 C ATOM 1228 C LYS A 77 -24.482 -5.908 -18.333 1.00 0.31 C ATOM 1229 O LYS A 77 -24.792 -6.842 -19.072 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.122 -4.201 -19.099 1.00 0.36 C ATOM 1231 CG LYS A 77 -26.345 -2.876 -19.831 1.00 1.20 C ATOM 1232 CD LYS A 77 -27.691 -2.254 -19.447 1.00 1.33 C ATOM 1233 CE LYS A 77 -28.879 -3.032 -20.039 1.00 1.76 C ATOM 1234 NZ LYS A 77 -29.388 -4.083 -19.109 1.00 1.95 N ATOM 0 H LYS A 77 -24.276 -4.440 -20.866 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.299 -3.790 -18.017 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.520 -5.017 -19.702 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.681 -4.194 -18.164 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -25.539 -2.183 -19.590 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -26.311 -3.042 -20.908 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -27.781 -2.228 -18.361 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -27.725 -1.222 -19.795 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -29.685 -2.337 -20.274 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -28.575 -3.496 -20.977 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -30.426 -4.115 -19.157 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -29.000 -5.008 -19.384 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -29.093 -3.859 -18.137 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.041 -6.076 -17.096 1.00 0.23 N ATOM 1249 CA LEU A 78 -23.880 -7.394 -16.487 1.00 0.24 C ATOM 1250 C LEU A 78 -25.036 -7.595 -15.512 1.00 0.29 C ATOM 1251 O LEU A 78 -24.984 -7.170 -14.355 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.519 -7.487 -15.784 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.158 -8.916 -15.355 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -22.544 -9.157 -13.901 1.00 0.86 C ATOM 1255 CD2 LEU A 78 -22.794 -9.968 -16.266 1.00 0.30 C ATOM 0 H LEU A 78 -23.783 -5.303 -16.482 1.00 0.23 H new ATOM 0 HA LEU A 78 -23.901 -8.181 -17.241 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -21.745 -7.108 -16.452 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -22.526 -6.841 -14.906 1.00 0.30 H new ATOM 0 HG LEU A 78 -21.077 -9.018 -15.450 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -22.279 -10.176 -13.618 1.00 0.86 H new ATOM 0 HD12 LEU A 78 -22.011 -8.453 -13.262 1.00 0.86 H new ATOM 0 HD13 LEU A 78 -23.618 -9.015 -13.781 1.00 0.86 H new ATOM 0 HD21 LEU A 78 -22.511 -10.964 -15.925 1.00 0.30 H new ATOM 0 HD22 LEU A 78 -23.879 -9.868 -16.235 1.00 0.30 H new ATOM 0 HD23 LEU A 78 -22.445 -9.822 -17.288 1.00 0.30 H new ATOM 1267 N ARG A 79 -26.095 -8.207 -16.022 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.321 -8.457 -15.273 1.00 0.40 C ATOM 1269 C ARG A 79 -27.341 -9.888 -14.736 1.00 0.45 C ATOM 1270 O ARG A 79 -27.365 -10.849 -15.509 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.508 -8.218 -16.215 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.862 -8.388 -15.531 1.00 1.11 C ATOM 1273 CD ARG A 79 -31.001 -8.138 -16.521 1.00 1.51 C ATOM 1274 NE ARG A 79 -32.213 -7.678 -15.836 1.00 1.91 N ATOM 1275 CZ ARG A 79 -32.901 -8.473 -15.015 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -33.383 -9.624 -15.470 1.00 2.93 N ATOM 1277 NH2 ARG A 79 -33.102 -8.110 -13.756 1.00 2.99 N ATOM 0 H ARG A 79 -26.129 -8.550 -16.982 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.380 -7.785 -14.417 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.440 -7.211 -16.627 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.443 -8.910 -17.054 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.944 -9.394 -15.120 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -29.942 -7.695 -14.694 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -30.691 -7.394 -17.254 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -31.217 -9.055 -17.069 1.00 1.51 H new ATOM 0 HE ARG A 79 -32.539 -6.724 -15.991 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -33.226 -9.894 -16.441 1.00 2.93 H new ATOM 0 HH12 ARG A 79 -33.910 -10.237 -14.849 1.00 2.93 H new ATOM 0 HH21 ARG A 79 -32.731 -7.223 -13.415 1.00 2.99 H new ATOM 0 HH22 ARG A 79 -33.628 -8.718 -13.128 1.00 2.99 H new ATOM 1291 N LEU A 80 -27.349 -10.026 -13.410 1.00 0.54 N ATOM 1292 CA LEU A 80 -27.388 -11.344 -12.766 1.00 0.68 C ATOM 1293 C LEU A 80 -28.818 -11.915 -12.823 1.00 0.84 C ATOM 1294 O LEU A 80 -29.771 -11.201 -13.158 1.00 1.06 O ATOM 1295 CB LEU A 80 -26.903 -11.216 -11.318 1.00 0.82 C ATOM 1296 CG LEU A 80 -25.395 -10.942 -11.253 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -25.034 -10.232 -9.949 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -24.591 -12.231 -11.399 1.00 1.26 C ATOM 0 H LEU A 80 -27.329 -9.242 -12.758 1.00 0.54 H new ATOM 0 HA LEU A 80 -26.729 -12.033 -13.295 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -27.442 -10.409 -10.822 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -27.131 -12.133 -10.774 1.00 0.82 H new ATOM 0 HG LEU A 80 -25.138 -10.290 -12.088 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -23.960 -10.046 -9.921 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -25.568 -9.284 -9.891 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -25.316 -10.859 -9.103 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -23.526 -12.003 -11.349 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -24.854 -12.917 -10.594 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -24.818 -12.695 -12.359 1.00 1.26 H new ATOM 1310 N SER A 81 -28.962 -13.208 -12.518 1.00 1.01 N ATOM 1311 CA SER A 81 -30.268 -13.894 -12.561 1.00 1.23 C ATOM 1312 C SER A 81 -31.287 -13.285 -11.582 1.00 1.40 C ATOM 1313 O SER A 81 -32.468 -13.156 -11.917 1.00 1.92 O ATOM 1314 CB SER A 81 -30.088 -15.398 -12.281 1.00 1.52 C ATOM 1315 OG SER A 81 -29.145 -15.625 -11.237 1.00 2.18 O ATOM 0 H SER A 81 -28.188 -13.809 -12.236 1.00 1.01 H new ATOM 0 HA SER A 81 -30.670 -13.757 -13.565 1.00 1.23 H new ATOM 0 HB2 SER A 81 -31.048 -15.836 -12.007 1.00 1.52 H new ATOM 0 HB3 SER A 81 -29.756 -15.901 -13.189 1.00 1.52 H new ATOM 0 HG SER A 81 -29.054 -16.588 -11.082 1.00 2.18 H new ATOM 1321 N ASP A 82 -30.829 -12.913 -10.386 1.00 1.33 N ATOM 1322 CA ASP A 82 -31.699 -12.316 -9.361 1.00 1.76 C ATOM 1323 C ASP A 82 -30.841 -11.760 -8.215 1.00 1.31 C ATOM 1324 O ASP A 82 -30.722 -12.386 -7.159 1.00 1.74 O ATOM 1325 CB ASP A 82 -32.702 -13.356 -8.809 1.00 2.76 C ATOM 1326 CG ASP A 82 -33.773 -12.669 -7.954 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -34.675 -12.025 -8.528 1.00 3.98 O ATOM 1328 OD2 ASP A 82 -33.713 -12.765 -6.709 1.00 3.77 O ATOM 0 H ASP A 82 -29.856 -13.014 -10.098 1.00 1.33 H new ATOM 0 HA ASP A 82 -32.266 -11.506 -9.820 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -33.174 -13.888 -9.635 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -32.173 -14.099 -8.212 1.00 2.76 H new ATOM 1333 N GLY A 83 -30.227 -10.596 -8.421 1.00 1.09 N ATOM 1334 CA GLY A 83 -29.386 -9.986 -7.398 1.00 1.53 C ATOM 1335 C GLY A 83 -29.181 -8.506 -7.681 1.00 1.31 C ATOM 1336 O GLY A 83 -29.738 -7.643 -6.969 1.00 1.88 O ATOM 0 H GLY A 83 -30.297 -10.059 -9.285 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -29.847 -10.113 -6.418 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -28.421 -10.492 -7.365 1.00 1.53 H new ATOM 1340 N ASN A 84 -28.368 -8.219 -8.717 1.00 0.93 N ATOM 1341 CA ASN A 84 -28.041 -6.852 -9.118 1.00 0.71 C ATOM 1342 C ASN A 84 -27.766 -6.808 -10.618 1.00 0.62 C ATOM 1343 O ASN A 84 -27.491 -7.841 -11.236 1.00 0.65 O ATOM 1344 CB ASN A 84 -26.759 -6.393 -8.404 1.00 0.84 C ATOM 1345 CG ASN A 84 -26.941 -6.235 -6.893 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -27.492 -5.245 -6.424 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -26.451 -7.199 -6.128 1.00 1.32 N ATOM 0 H ASN A 84 -27.924 -8.934 -9.294 1.00 0.93 H new ATOM 0 HA ASN A 84 -28.880 -6.207 -8.858 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -25.965 -7.115 -8.595 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -26.435 -5.442 -8.827 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -26.526 -7.132 -5.113 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -25.999 -8.008 -6.554 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.774 -5.598 -11.174 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.460 -5.363 -12.580 1.00 0.55 C ATOM 1356 C GLU A 85 -26.477 -4.194 -12.601 1.00 0.47 C ATOM 1357 O GLU A 85 -26.784 -3.097 -12.118 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.748 -5.095 -13.407 1.00 0.70 C ATOM 1359 CG GLU A 85 -28.710 -3.776 -14.186 1.00 1.16 C ATOM 1360 CD GLU A 85 -29.812 -3.746 -15.239 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -31.003 -3.729 -14.867 1.00 1.39 O ATOM 1362 OE2 GLU A 85 -29.490 -3.730 -16.445 1.00 1.43 O ATOM 0 H GLU A 85 -28.000 -4.748 -10.657 1.00 0.59 H new ATOM 0 HA GLU A 85 -27.009 -6.237 -13.050 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -28.899 -5.917 -14.107 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -29.606 -5.087 -12.735 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -28.832 -2.938 -13.500 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -27.738 -3.657 -14.665 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.280 -4.452 -13.109 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.214 -3.451 -13.142 1.00 0.31 C ATOM 1371 C TYR A 86 -23.814 -3.100 -14.572 1.00 0.29 C ATOM 1372 O TYR A 86 -23.868 -3.941 -15.468 1.00 0.40 O ATOM 1373 CB TYR A 86 -22.979 -3.992 -12.413 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.251 -4.607 -11.053 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -23.302 -3.803 -9.927 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -23.395 -5.986 -10.921 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -23.487 -4.368 -8.679 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -23.591 -6.544 -9.670 1.00 0.62 C ATOM 1379 CZ TYR A 86 -23.630 -5.734 -8.555 1.00 0.63 C ATOM 1380 OH TYR A 86 -23.800 -6.290 -7.308 1.00 0.77 O ATOM 0 H TYR A 86 -25.018 -5.353 -13.508 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.591 -2.553 -12.653 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.503 -4.742 -13.045 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.264 -3.179 -12.290 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -23.197 -2.732 -10.024 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -23.354 -6.620 -11.795 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -23.520 -3.740 -7.801 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -23.713 -7.612 -9.567 1.00 0.62 H new ATOM 0 HH TYR A 86 -23.887 -7.262 -7.392 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.350 -1.864 -14.759 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.864 -1.391 -16.057 1.00 0.23 C ATOM 1392 C LEU A 87 -21.344 -1.348 -15.986 1.00 0.22 C ATOM 1393 O LEU A 87 -20.782 -0.682 -15.108 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.393 0.014 -16.387 1.00 0.26 C ATOM 1395 CG LEU A 87 -24.885 0.178 -16.084 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.385 1.518 -16.617 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.707 -0.962 -16.685 1.00 0.38 C ATOM 0 H LEU A 87 -23.300 -1.164 -14.018 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.215 -2.065 -16.839 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -22.829 0.752 -15.817 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -23.217 0.224 -17.442 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.010 0.149 -15.002 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.447 1.624 -16.396 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -24.833 2.328 -16.141 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -25.233 1.560 -17.695 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.761 -0.813 -16.451 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.574 -0.975 -17.767 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.373 -1.911 -16.267 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.682 -2.067 -16.881 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.224 -2.128 -16.903 1.00 0.19 C ATOM 1411 C PHE A 88 -18.676 -1.384 -18.115 1.00 0.20 C ATOM 1412 O PHE A 88 -19.050 -1.671 -19.251 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.772 -3.586 -16.931 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.829 -4.247 -15.571 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.803 -4.040 -14.668 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.901 -5.054 -15.223 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -17.842 -4.639 -13.422 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -19.940 -5.653 -13.973 1.00 0.25 C ATOM 1419 CZ PHE A 88 -18.911 -5.444 -13.074 1.00 0.22 C ATOM 0 H PHE A 88 -21.134 -2.621 -17.608 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.837 -1.649 -16.003 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.400 -4.143 -17.626 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.752 -3.638 -17.312 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -16.969 -3.409 -14.936 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.705 -5.216 -15.925 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.037 -4.478 -12.720 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.774 -6.283 -13.702 1.00 0.25 H new ATOM 0 HZ PHE A 88 -18.942 -5.909 -12.100 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.778 -0.435 -17.861 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.150 0.362 -18.918 1.00 0.26 C ATOM 1431 C GLN A 89 -15.675 -0.036 -19.049 1.00 0.22 C ATOM 1432 O GLN A 89 -14.930 -0.038 -18.059 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.312 1.868 -18.610 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.115 2.703 -19.086 1.00 0.52 C ATOM 1435 CD GLN A 89 -16.404 4.199 -18.952 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -17.227 4.618 -18.136 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -15.725 5.004 -19.751 1.00 1.63 N ATOM 0 H GLN A 89 -17.464 -0.195 -16.920 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.640 0.167 -19.872 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.220 2.237 -19.088 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -17.440 2.003 -17.536 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -15.232 2.446 -18.501 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -15.890 2.464 -20.125 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -15.052 4.617 -20.413 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -15.874 6.012 -19.705 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.272 -0.364 -20.284 1.00 0.22 N ATOM 1447 CA ALA A 90 -13.891 -0.766 -20.597 1.00 0.24 C ATOM 1448 C ALA A 90 -13.158 0.380 -21.302 1.00 0.27 C ATOM 1449 O ALA A 90 -13.789 1.304 -21.828 1.00 0.32 O ATOM 1450 CB ALA A 90 -13.896 -2.014 -21.493 1.00 0.29 C ATOM 0 H ALA A 90 -15.892 -0.359 -21.094 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.373 -1.000 -19.667 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -12.870 -2.304 -21.719 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.398 -2.831 -20.976 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.424 -1.794 -22.421 1.00 0.29 H new ATOM 1456 N LYS A 91 -11.826 0.316 -21.314 1.00 0.35 N ATOM 1457 CA LYS A 91 -10.998 1.351 -21.956 1.00 0.44 C ATOM 1458 C LYS A 91 -10.628 0.969 -23.398 1.00 0.49 C ATOM 1459 O LYS A 91 -10.145 1.809 -24.158 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.726 1.600 -21.128 1.00 0.65 C ATOM 1461 CG LYS A 91 -9.002 0.302 -20.754 1.00 1.26 C ATOM 1462 CD LYS A 91 -9.169 -0.027 -19.267 1.00 1.43 C ATOM 1463 CE LYS A 91 -8.230 -1.161 -18.836 1.00 1.86 C ATOM 1464 NZ LYS A 91 -8.917 -2.145 -17.952 1.00 2.29 N ATOM 0 H LYS A 91 -11.292 -0.441 -20.887 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.585 2.268 -21.998 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.048 2.240 -21.694 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -9.989 2.140 -20.218 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.392 -0.519 -21.355 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -7.942 0.395 -20.990 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -8.965 0.863 -18.671 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -10.202 -0.313 -19.070 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -7.848 -1.672 -19.720 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -7.370 -0.742 -18.313 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -8.310 -2.362 -17.136 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -9.816 -1.743 -17.617 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -9.106 -3.018 -18.485 1.00 2.29 H new ATOM 1478 N ASP A 92 -10.859 -0.293 -23.771 1.00 0.49 N ATOM 1479 CA ASP A 92 -10.550 -0.782 -25.121 1.00 0.66 C ATOM 1480 C ASP A 92 -11.700 -1.656 -25.636 1.00 0.59 C ATOM 1481 O ASP A 92 -12.439 -2.267 -24.855 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.231 -1.574 -25.099 1.00 0.84 C ATOM 1483 CG ASP A 92 -8.803 -2.015 -26.502 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -9.172 -1.345 -27.494 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -8.104 -3.037 -26.611 1.00 2.01 O ATOM 0 H ASP A 92 -11.261 -0.999 -23.154 1.00 0.49 H new ATOM 0 HA ASP A 92 -10.434 0.066 -25.795 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -8.447 -0.960 -24.657 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.345 -2.451 -24.462 1.00 0.84 H new ATOM 1490 N ASP A 93 -11.830 -1.712 -26.959 1.00 0.62 N ATOM 1491 CA ASP A 93 -12.871 -2.504 -27.631 1.00 0.63 C ATOM 1492 C ASP A 93 -12.616 -4.005 -27.450 1.00 0.49 C ATOM 1493 O ASP A 93 -13.544 -4.777 -27.198 1.00 0.54 O ATOM 1494 CB ASP A 93 -12.903 -2.144 -29.125 1.00 0.83 C ATOM 1495 CG ASP A 93 -13.988 -2.929 -29.862 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -15.177 -2.587 -29.716 1.00 2.21 O ATOM 1497 OD2 ASP A 93 -13.650 -3.890 -30.582 1.00 2.13 O ATOM 0 H ASP A 93 -11.218 -1.210 -27.602 1.00 0.62 H new ATOM 0 HA ASP A 93 -13.836 -2.271 -27.182 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -13.083 -1.075 -29.240 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -11.932 -2.354 -29.573 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.349 -4.407 -27.568 1.00 0.41 N ATOM 1503 CA GLU A 94 -10.958 -5.814 -27.412 1.00 0.41 C ATOM 1504 C GLU A 94 -11.202 -6.275 -25.976 1.00 0.36 C ATOM 1505 O GLU A 94 -11.639 -7.402 -25.745 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.485 -6.006 -27.799 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.227 -5.599 -29.256 1.00 1.21 C ATOM 1508 CD GLU A 94 -10.079 -6.433 -30.205 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -9.813 -7.643 -30.348 1.00 2.59 O ATOM 1510 OE2 GLU A 94 -11.009 -5.876 -30.822 1.00 2.43 O ATOM 0 H GLU A 94 -10.572 -3.778 -27.772 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.569 -6.423 -28.078 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -8.854 -5.413 -27.137 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -9.204 -7.049 -27.657 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -9.454 -4.541 -29.389 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -8.172 -5.731 -29.495 1.00 1.21 H new ATOM 1517 N GLU A 95 -10.951 -5.382 -25.016 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.171 -5.674 -23.596 1.00 0.29 C ATOM 1519 C GLU A 95 -12.662 -5.914 -23.337 1.00 0.24 C ATOM 1520 O GLU A 95 -13.036 -6.879 -22.671 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.663 -4.516 -22.733 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.263 -5.000 -21.338 1.00 0.42 C ATOM 1523 CD GLU A 95 -10.286 -3.851 -20.338 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -10.299 -2.686 -20.777 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -10.308 -4.110 -19.117 1.00 1.30 O ATOM 0 H GLU A 95 -10.593 -4.444 -25.197 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.617 -6.575 -23.330 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.807 -4.046 -23.217 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.438 -3.755 -22.648 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -10.945 -5.785 -21.012 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.265 -5.438 -21.372 1.00 0.42 H new ATOM 1532 N MET A 96 -13.506 -5.036 -23.897 1.00 0.24 N ATOM 1533 CA MET A 96 -14.970 -5.136 -23.768 1.00 0.22 C ATOM 1534 C MET A 96 -15.456 -6.516 -24.228 1.00 0.22 C ATOM 1535 O MET A 96 -16.236 -7.172 -23.535 1.00 0.23 O ATOM 1536 CB MET A 96 -15.634 -4.027 -24.604 1.00 0.26 C ATOM 1537 CG MET A 96 -17.165 -4.058 -24.498 1.00 0.39 C ATOM 1538 SD MET A 96 -17.957 -4.701 -25.988 1.00 0.94 S ATOM 1539 CE MET A 96 -17.707 -3.339 -27.142 1.00 0.77 C ATOM 0 H MET A 96 -13.196 -4.238 -24.451 1.00 0.24 H new ATOM 0 HA MET A 96 -15.246 -5.011 -22.721 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.268 -3.056 -24.271 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.342 -4.137 -25.648 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.453 -4.672 -23.645 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.532 -3.050 -24.303 1.00 0.39 H new ATOM 0 HE1 MET A 96 -17.616 -3.732 -28.155 1.00 0.77 H new ATOM 0 HE2 MET A 96 -18.557 -2.659 -27.092 1.00 0.77 H new ATOM 0 HE3 MET A 96 -16.796 -2.801 -26.878 1.00 0.77 H new ATOM 1549 N ASN A 97 -14.967 -6.960 -25.392 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.332 -8.272 -25.947 1.00 0.28 C ATOM 1551 C ASN A 97 -14.811 -9.407 -25.048 1.00 0.26 C ATOM 1552 O ASN A 97 -15.532 -10.370 -24.777 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.775 -8.417 -27.374 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.408 -9.608 -28.102 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -16.572 -9.947 -27.875 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -14.649 -10.237 -28.987 1.00 1.24 N ATOM 0 H ASN A 97 -14.316 -6.429 -25.970 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.419 -8.341 -25.986 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -14.965 -7.502 -27.935 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.694 -8.547 -27.333 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -15.023 -11.030 -29.507 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -13.690 -9.928 -29.148 1.00 1.24 H new ATOM 1563 N THR A 98 -13.565 -9.278 -24.576 1.00 0.25 N ATOM 1564 CA THR A 98 -12.941 -10.285 -23.698 1.00 0.27 C ATOM 1565 C THR A 98 -13.723 -10.436 -22.381 1.00 0.23 C ATOM 1566 O THR A 98 -13.947 -11.554 -21.910 1.00 0.27 O ATOM 1567 CB THR A 98 -11.481 -9.897 -23.408 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.812 -9.563 -24.619 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.736 -11.034 -22.700 1.00 0.39 C ATOM 0 H THR A 98 -12.963 -8.482 -24.787 1.00 0.25 H new ATOM 0 HA THR A 98 -12.961 -11.245 -24.213 1.00 0.27 H new ATOM 0 HB THR A 98 -11.489 -9.029 -22.748 1.00 0.31 H new ATOM 0 HG1 THR A 98 -10.874 -8.597 -24.771 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.707 -10.731 -22.508 1.00 0.39 H new ATOM 0 HG22 THR A 98 -11.230 -11.260 -21.755 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.741 -11.922 -23.333 1.00 0.39 H new ATOM 1577 N TRP A 99 -14.147 -9.309 -21.801 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.914 -9.309 -20.549 1.00 0.20 C ATOM 1579 C TRP A 99 -16.276 -9.976 -20.761 1.00 0.21 C ATOM 1580 O TRP A 99 -16.647 -10.895 -20.028 1.00 0.24 O ATOM 1581 CB TRP A 99 -15.119 -7.871 -20.042 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.934 -7.297 -19.315 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.221 -6.184 -19.670 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.336 -7.791 -18.095 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.229 -5.987 -18.753 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.267 -6.940 -17.784 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.597 -8.865 -17.240 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.471 -7.134 -16.669 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -12.802 -9.062 -16.120 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.749 -8.205 -15.837 1.00 0.29 C ATOM 0 H TRP A 99 -13.971 -8.379 -22.181 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.351 -9.871 -19.804 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.356 -7.229 -20.891 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.983 -7.852 -19.377 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.412 -5.564 -20.533 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.550 -5.227 -18.790 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.414 -9.539 -17.450 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.651 -6.465 -16.453 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.006 -9.893 -15.461 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.141 -8.374 -14.961 1.00 0.29 H new ATOM 1601 N ILE A 100 -17.015 -9.509 -21.769 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.342 -10.049 -22.088 1.00 0.24 C ATOM 1603 C ILE A 100 -18.274 -11.554 -22.387 1.00 0.28 C ATOM 1604 O ILE A 100 -19.059 -12.332 -21.844 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.937 -9.285 -23.284 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.294 -7.851 -22.872 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.171 -9.995 -23.853 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.606 -6.983 -24.093 1.00 0.29 C ATOM 0 H ILE A 100 -16.716 -8.752 -22.384 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.988 -9.916 -21.220 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.180 -9.256 -24.068 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -20.155 -7.866 -22.204 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.466 -7.414 -22.314 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.562 -9.425 -24.696 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.893 -10.994 -24.188 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.936 -10.071 -23.080 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -19.855 -5.973 -23.767 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -18.735 -6.949 -24.747 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.451 -7.408 -24.635 1.00 0.29 H new ATOM 1620 N GLN A 101 -17.339 -11.965 -23.246 1.00 0.29 N ATOM 1621 CA GLN A 101 -17.186 -13.379 -23.612 1.00 0.35 C ATOM 1622 C GLN A 101 -16.810 -14.242 -22.401 1.00 0.36 C ATOM 1623 O GLN A 101 -17.332 -15.347 -22.235 1.00 0.43 O ATOM 1624 CB GLN A 101 -16.128 -13.514 -24.710 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.623 -12.904 -26.029 1.00 0.48 C ATOM 1626 CD GLN A 101 -17.379 -13.949 -26.852 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -18.581 -14.143 -26.666 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -16.684 -14.627 -27.756 1.00 1.76 N ATOM 0 H GLN A 101 -16.675 -11.340 -23.703 1.00 0.29 H new ATOM 0 HA GLN A 101 -18.146 -13.739 -23.983 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -15.209 -13.017 -24.398 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.886 -14.566 -24.860 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -17.274 -12.055 -25.822 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -15.777 -12.525 -26.601 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -15.690 -14.438 -27.881 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -17.144 -15.337 -28.326 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.917 -13.733 -21.551 1.00 0.32 N ATOM 1638 CA ALA A 102 -15.481 -14.463 -20.352 1.00 0.37 C ATOM 1639 C ALA A 102 -16.638 -14.617 -19.357 1.00 0.38 C ATOM 1640 O ALA A 102 -16.819 -15.680 -18.761 1.00 0.48 O ATOM 1641 CB ALA A 102 -14.308 -13.734 -19.686 1.00 0.38 C ATOM 0 H ALA A 102 -15.480 -12.819 -21.667 1.00 0.32 H new ATOM 0 HA ALA A 102 -15.155 -15.457 -20.657 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.994 -14.284 -18.799 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.475 -13.669 -20.386 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.620 -12.730 -19.398 1.00 0.38 H new ATOM 1647 N ILE A 103 -17.425 -13.552 -19.200 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.580 -13.549 -18.296 1.00 0.38 C ATOM 1649 C ILE A 103 -19.700 -14.442 -18.857 1.00 0.47 C ATOM 1650 O ILE A 103 -20.303 -15.231 -18.124 1.00 0.55 O ATOM 1651 CB ILE A 103 -19.074 -12.107 -18.096 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -18.026 -11.282 -17.331 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.406 -12.077 -17.339 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.171 -9.780 -17.599 1.00 0.35 C ATOM 0 H ILE A 103 -17.282 -12.670 -19.692 1.00 0.33 H new ATOM 0 HA ILE A 103 -18.282 -13.953 -17.328 1.00 0.38 H new ATOM 0 HB ILE A 103 -19.227 -11.670 -19.083 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.126 -11.471 -16.262 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -17.027 -11.607 -17.620 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.730 -11.044 -17.213 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -21.158 -12.627 -17.905 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.279 -12.539 -16.360 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.411 -9.235 -17.039 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -18.045 -9.587 -18.664 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.161 -9.448 -17.285 1.00 0.35 H new ATOM 1666 N SER A 104 -19.969 -14.326 -20.165 1.00 0.53 N ATOM 1667 CA SER A 104 -21.007 -15.126 -20.829 1.00 0.66 C ATOM 1668 C SER A 104 -20.652 -16.622 -20.826 1.00 0.72 C ATOM 1669 O SER A 104 -21.540 -17.477 -20.776 1.00 0.89 O ATOM 1670 CB SER A 104 -21.199 -14.630 -22.265 1.00 0.81 C ATOM 1671 OG SER A 104 -21.803 -13.340 -22.266 1.00 1.05 O ATOM 0 H SER A 104 -19.479 -13.682 -20.786 1.00 0.53 H new ATOM 0 HA SER A 104 -21.938 -15.006 -20.274 1.00 0.66 H new ATOM 0 HB2 SER A 104 -20.236 -14.589 -22.774 1.00 0.81 H new ATOM 0 HB3 SER A 104 -21.823 -15.332 -22.819 1.00 0.81 H new ATOM 0 HG SER A 104 -21.114 -12.656 -22.132 1.00 1.05 H new ATOM 1677 N SER A 105 -19.350 -16.928 -20.876 1.00 0.80 N ATOM 1678 CA SER A 105 -18.864 -18.316 -20.874 1.00 1.13 C ATOM 1679 C SER A 105 -18.753 -18.881 -19.448 1.00 1.23 C ATOM 1680 O SER A 105 -18.161 -19.942 -19.247 1.00 1.61 O ATOM 1681 CB SER A 105 -17.501 -18.394 -21.576 1.00 1.48 C ATOM 1682 OG SER A 105 -17.636 -18.116 -22.962 1.00 1.63 O ATOM 0 H SER A 105 -18.609 -16.229 -20.919 1.00 0.80 H new ATOM 0 HA SER A 105 -19.590 -18.923 -21.415 1.00 1.13 H new ATOM 0 HB2 SER A 105 -16.811 -17.682 -21.122 1.00 1.48 H new ATOM 0 HB3 SER A 105 -17.071 -19.386 -21.439 1.00 1.48 H new ATOM 0 HG SER A 105 -17.577 -17.149 -23.109 1.00 1.63 H new ATOM 1688 N ALA A 106 -19.331 -18.189 -18.464 1.00 1.29 N ATOM 1689 CA ALA A 106 -19.303 -18.646 -17.071 1.00 1.59 C ATOM 1690 C ALA A 106 -20.430 -19.653 -16.846 1.00 2.40 C ATOM 1691 O ALA A 106 -21.609 -19.253 -16.909 1.00 3.00 O ATOM 1692 CB ALA A 106 -19.463 -17.456 -16.122 1.00 1.90 C ATOM 1693 OXT ALA A 106 -20.143 -20.850 -16.640 1.00 3.05 O ATOM 0 H ALA A 106 -19.825 -17.308 -18.605 1.00 1.29 H new ATOM 0 HA ALA A 106 -18.345 -19.125 -16.868 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -19.441 -17.808 -15.091 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -18.648 -16.750 -16.283 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -20.415 -16.961 -16.316 1.00 1.90 H new