USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 693 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 ASN : amide:sc= 1.04 K(o=2,f=-0.62!) USER MOD Set 1.2: A 86 TYR OH : rot 30:sc= 0.969 USER MOD Set 2.1: A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 24 HIS : no HE2:sc= 0.719 K(o=1.6,f=-2.7) USER MOD Set 3.2: A 50 TYR OH : rot -168:sc= 0.843 USER MOD Set 4.1: A 9 HIS :FLIP no HD1:sc= 0.616 F(o=-1.5!,f=1.4) USER MOD Set 4.2: A 22 SER OG : rot 125:sc= 0.775 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 179:sc= 0.675 (180deg=0.667) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -87:sc= 0.325 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 35 MET CE :methyl -141:sc= -0.0203 (180deg=-0.926) 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 57:sc= 0.741 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.0807 X(o=-0.081,f=0.0014) USER MOD Single : A 52 SER OG : rot 180:sc= 0.304 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 160:sc= -2.54 USER MOD Single : A 69 TYR OH : rot 109:sc= 0.0355 USER MOD Single : A 74 HIS : no HD1:sc= -0.0876 X(o=-0.088,f=-0.56) USER MOD Single : A 77 LYS NZ :NH3+ -122:sc= 1.57 (180deg=-0.616) USER MOD Single : A 81 SER OG : rot 78:sc= 0.973 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -110:sc= -0.225 (180deg=-3.68!) USER MOD Single : A 96 MET CE :methyl 152:sc= -0.305 (180deg=-1.32!) USER MOD Single : A 97 ASN : amide:sc=-0.00965 X(o=-0.0097,f=-0.38) USER MOD Single : A 98 THR OG1 : rot 89:sc= 1.23 USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 104 SER OG : rot 79:sc= 1.27 USER MOD Single : A 105 SER OG : rot 78:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -8.397 -11.156 -14.996 1.00 0.51 N ATOM 21 CA GLU A 2 -8.165 -10.041 -14.068 1.00 0.37 C ATOM 22 C GLU A 2 -7.954 -8.736 -14.845 1.00 0.34 C ATOM 23 O GLU A 2 -7.415 -8.745 -15.955 1.00 0.48 O ATOM 24 CB GLU A 2 -6.932 -10.323 -13.198 1.00 0.53 C ATOM 25 CG GLU A 2 -6.917 -11.759 -12.665 1.00 0.96 C ATOM 26 CD GLU A 2 -5.718 -11.962 -11.751 1.00 1.61 C ATOM 27 OE1 GLU A 2 -5.618 -11.257 -10.727 1.00 2.09 O ATOM 28 OE2 GLU A 2 -4.887 -12.842 -12.040 1.00 2.16 O ATOM 0 HA GLU A 2 -9.041 -9.938 -13.428 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -6.029 -10.144 -13.782 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -6.913 -9.626 -12.360 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -7.839 -11.963 -12.120 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -6.875 -12.464 -13.496 1.00 0.96 H new ATOM 35 N GLY A 3 -8.372 -7.618 -14.258 1.00 0.25 N ATOM 36 CA GLY A 3 -8.225 -6.301 -14.889 1.00 0.28 C ATOM 37 C GLY A 3 -9.124 -5.270 -14.215 1.00 0.22 C ATOM 38 O GLY A 3 -9.881 -5.591 -13.290 1.00 0.22 O ATOM 0 H GLY A 3 -8.818 -7.594 -13.341 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -7.186 -5.978 -14.828 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.475 -6.371 -15.948 1.00 0.28 H new ATOM 42 N PHE A 4 -9.049 -4.031 -14.691 1.00 0.24 N ATOM 43 CA PHE A 4 -9.861 -2.937 -14.150 1.00 0.21 C ATOM 44 C PHE A 4 -11.197 -2.857 -14.881 1.00 0.22 C ATOM 45 O PHE A 4 -11.290 -3.143 -16.077 1.00 0.27 O ATOM 46 CB PHE A 4 -9.130 -1.598 -14.285 1.00 0.23 C ATOM 47 CG PHE A 4 -8.244 -1.287 -13.100 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.806 -0.969 -11.876 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.863 -1.320 -13.239 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.994 -0.682 -10.794 1.00 0.37 C ATOM 51 CE2 PHE A 4 -6.052 -1.033 -12.154 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.623 -0.722 -10.925 1.00 0.41 C ATOM 0 H PHE A 4 -8.432 -3.755 -15.455 1.00 0.24 H new ATOM 0 HA PHE A 4 -10.036 -3.141 -13.094 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.524 -1.611 -15.191 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.863 -0.800 -14.403 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.880 -0.945 -11.766 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.422 -1.569 -14.193 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -8.436 -0.426 -9.843 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.978 -1.051 -12.262 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.992 -0.512 -10.074 1.00 0.41 H new ATOM 62 N LEU A 5 -12.219 -2.448 -14.148 1.00 0.19 N ATOM 63 CA LEU A 5 -13.564 -2.297 -14.685 1.00 0.21 C ATOM 64 C LEU A 5 -14.290 -1.192 -13.924 1.00 0.20 C ATOM 65 O LEU A 5 -14.185 -1.092 -12.700 1.00 0.21 O ATOM 66 CB LEU A 5 -14.355 -3.611 -14.544 1.00 0.23 C ATOM 67 CG LEU A 5 -14.215 -4.524 -15.767 1.00 0.24 C ATOM 68 CD1 LEU A 5 -15.003 -5.815 -15.550 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.695 -3.822 -17.037 1.00 0.31 C ATOM 0 H LEU A 5 -12.140 -2.210 -13.159 1.00 0.19 H new ATOM 0 HA LEU A 5 -13.492 -2.041 -15.742 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -14.010 -4.144 -13.658 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -15.409 -3.380 -14.388 1.00 0.23 H new ATOM 0 HG LEU A 5 -13.159 -4.765 -15.892 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.897 -6.457 -16.424 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.619 -6.333 -14.671 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -16.056 -5.578 -15.399 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.584 -4.494 -17.888 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.744 -3.547 -16.926 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -14.100 -2.924 -17.203 1.00 0.31 H new ATOM 81 N ASN A 6 -15.058 -0.390 -14.646 1.00 0.22 N ATOM 82 CA ASN A 6 -15.847 0.678 -14.042 1.00 0.23 C ATOM 83 C ASN A 6 -17.207 0.079 -13.713 1.00 0.22 C ATOM 84 O ASN A 6 -17.902 -0.395 -14.604 1.00 0.26 O ATOM 85 CB ASN A 6 -15.951 1.867 -15.012 1.00 0.28 C ATOM 86 CG ASN A 6 -15.103 3.038 -14.521 1.00 0.72 C ATOM 87 OD1 ASN A 6 -15.595 3.931 -13.831 1.00 1.49 O ATOM 88 ND2 ASN A 6 -13.831 3.037 -14.885 1.00 1.24 N ATOM 0 H ASN A 6 -15.153 -0.458 -15.659 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.386 1.065 -13.133 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -15.620 1.563 -16.005 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.992 2.178 -15.104 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -13.216 3.797 -14.593 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -13.465 2.276 -15.458 1.00 1.24 H new ATOM 95 N ARG A 7 -17.544 0.025 -12.425 1.00 0.23 N ATOM 96 CA ARG A 7 -18.793 -0.600 -11.964 1.00 0.24 C ATOM 97 C ARG A 7 -19.857 0.436 -11.588 1.00 0.25 C ATOM 98 O ARG A 7 -19.586 1.384 -10.843 1.00 0.32 O ATOM 99 CB ARG A 7 -18.477 -1.490 -10.750 1.00 0.28 C ATOM 100 CG ARG A 7 -19.629 -2.441 -10.398 1.00 0.34 C ATOM 101 CD ARG A 7 -20.171 -2.169 -8.987 1.00 0.54 C ATOM 102 NE ARG A 7 -21.071 -1.011 -8.991 1.00 0.95 N ATOM 103 CZ ARG A 7 -21.096 -0.128 -7.992 1.00 1.16 C ATOM 104 NH1 ARG A 7 -21.490 -0.510 -6.788 1.00 1.46 N ATOM 105 NH2 ARG A 7 -20.707 1.121 -8.208 1.00 1.71 N ATOM 0 H ARG A 7 -16.969 0.408 -11.675 1.00 0.23 H new ATOM 0 HA ARG A 7 -19.202 -1.193 -12.782 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.580 -2.073 -10.956 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -18.256 -0.859 -9.889 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -20.432 -2.327 -11.126 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.284 -3.473 -10.464 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -20.702 -3.047 -8.621 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -19.342 -1.989 -8.302 1.00 0.54 H new ATOM 0 HE ARG A 7 -21.698 -0.877 -9.784 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -21.773 -1.477 -6.627 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -21.511 0.162 -6.021 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -20.390 1.403 -9.136 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -20.725 1.800 -7.447 1.00 1.71 H new ATOM 119 N LYS A 8 -21.075 0.223 -12.091 1.00 0.27 N ATOM 120 CA LYS A 8 -22.215 1.100 -11.815 1.00 0.29 C ATOM 121 C LYS A 8 -23.477 0.258 -11.648 1.00 0.29 C ATOM 122 O LYS A 8 -23.935 -0.374 -12.598 1.00 0.38 O ATOM 123 CB LYS A 8 -22.396 2.089 -12.967 1.00 0.36 C ATOM 124 CG LYS A 8 -23.336 3.244 -12.596 1.00 0.37 C ATOM 125 CD LYS A 8 -24.344 3.534 -13.716 1.00 0.50 C ATOM 126 CE LYS A 8 -25.738 2.973 -13.392 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.674 4.040 -12.931 1.00 1.02 N ATOM 0 H LYS A 8 -21.299 -0.563 -12.702 1.00 0.27 H new ATOM 0 HA LYS A 8 -22.031 1.656 -10.896 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.425 2.491 -13.255 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.793 1.564 -13.836 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.871 2.998 -11.679 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -22.750 4.140 -12.392 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.413 4.611 -13.872 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -23.985 3.099 -14.649 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.149 2.488 -14.277 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.651 2.208 -12.620 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.607 3.624 -12.739 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -26.304 4.475 -12.062 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -26.764 4.766 -13.670 1.00 1.02 H new ATOM 141 N HIS A 9 -24.047 0.260 -10.445 1.00 0.43 N ATOM 142 CA HIS A 9 -25.275 -0.498 -10.172 1.00 0.52 C ATOM 143 C HIS A 9 -26.489 0.341 -10.577 1.00 0.58 C ATOM 144 O HIS A 9 -26.707 1.433 -10.050 1.00 0.73 O ATOM 145 CB HIS A 9 -25.370 -0.939 -8.692 1.00 0.68 C ATOM 146 CG HIS A 9 -25.004 0.106 -7.667 1.00 0.88 C ATOM 147 ND1 HIS A 9 -24.649 1.410 -7.773 1.00 1.21 N flip ATOM 148 CD2 HIS A 9 -24.982 -0.155 -6.323 1.00 1.22 C flip ATOM 149 CE1 HIS A 9 -24.422 1.891 -6.499 1.00 1.69 C flip ATOM 150 NE2 HIS A 9 -24.637 0.908 -5.640 1.00 1.75 N flip ATOM 0 H HIS A 9 -23.683 0.775 -9.643 1.00 0.43 H new ATOM 0 HA HIS A 9 -25.253 -1.412 -10.765 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -26.390 -1.270 -8.497 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -24.722 -1.803 -8.548 1.00 0.68 H new ATOM 0 HD2 HIS A 9 -25.218 -1.113 -5.883 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -24.121 2.897 -6.247 1.00 1.69 H new ATOM 0 HE2 HIS A 9 -24.550 0.967 -4.625 1.00 1.75 H new ATOM 158 N GLU A 10 -27.258 -0.171 -11.534 1.00 0.60 N ATOM 159 CA GLU A 10 -28.445 0.527 -12.040 1.00 0.73 C ATOM 160 C GLU A 10 -29.688 0.102 -11.263 1.00 0.83 C ATOM 161 O GLU A 10 -30.531 0.932 -10.931 1.00 1.00 O ATOM 162 CB GLU A 10 -28.630 0.223 -13.537 1.00 0.79 C ATOM 163 CG GLU A 10 -29.632 1.176 -14.206 1.00 1.28 C ATOM 164 CD GLU A 10 -29.061 2.586 -14.288 1.00 1.19 C ATOM 165 OE1 GLU A 10 -28.386 2.903 -15.282 1.00 1.52 O ATOM 166 OE2 GLU A 10 -29.271 3.375 -13.344 1.00 1.72 O ATOM 0 H GLU A 10 -27.082 -1.072 -11.979 1.00 0.60 H new ATOM 0 HA GLU A 10 -28.304 1.599 -11.906 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.667 0.298 -14.042 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -28.973 -0.804 -13.657 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -29.871 0.816 -15.207 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -30.564 1.188 -13.640 1.00 1.28 H new ATOM 173 N TRP A 11 -29.800 -1.196 -10.986 1.00 0.82 N ATOM 174 CA TRP A 11 -30.945 -1.742 -10.262 1.00 0.96 C ATOM 175 C TRP A 11 -30.526 -3.016 -9.521 1.00 0.94 C ATOM 176 O TRP A 11 -29.886 -3.900 -10.099 1.00 0.84 O ATOM 177 CB TRP A 11 -32.080 -2.025 -11.266 1.00 1.08 C ATOM 178 CG TRP A 11 -33.331 -2.573 -10.638 1.00 1.26 C ATOM 179 CD1 TRP A 11 -34.204 -1.906 -9.827 1.00 1.54 C ATOM 180 CD2 TRP A 11 -33.849 -3.907 -10.783 1.00 1.26 C ATOM 181 NE1 TRP A 11 -35.215 -2.758 -9.480 1.00 1.67 N ATOM 182 CE2 TRP A 11 -35.033 -3.981 -10.042 1.00 1.51 C ATOM 183 CE3 TRP A 11 -33.423 -5.041 -11.469 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -35.783 -5.141 -9.970 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -34.170 -6.206 -11.406 1.00 1.35 C ATOM 186 CH2 TRP A 11 -35.338 -6.254 -10.665 1.00 1.53 C ATOM 0 H TRP A 11 -29.106 -1.893 -11.255 1.00 0.82 H new ATOM 0 HA TRP A 11 -31.303 -1.027 -9.522 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -32.324 -1.102 -11.792 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -31.721 -2.732 -12.014 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -34.111 -0.877 -9.512 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -36.001 -2.509 -8.879 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -32.512 -5.013 -12.049 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -36.692 -5.178 -9.387 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -33.838 -7.084 -11.940 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -35.909 -7.170 -10.628 1.00 1.53 H new ATOM 353 N SER A 22 -22.882 7.164 -8.636 1.00 1.32 N ATOM 354 CA SER A 22 -22.221 5.868 -8.841 1.00 0.74 C ATOM 355 C SER A 22 -20.959 5.978 -9.709 1.00 0.68 C ATOM 356 O SER A 22 -20.282 7.012 -9.723 1.00 1.69 O ATOM 357 CB SER A 22 -23.223 4.868 -9.445 1.00 1.62 C ATOM 358 OG SER A 22 -22.809 3.531 -9.201 1.00 1.86 O ATOM 0 HA SER A 22 -21.889 5.506 -7.868 1.00 0.74 H new ATOM 0 HB2 SER A 22 -24.211 5.032 -9.015 1.00 1.62 H new ATOM 0 HB3 SER A 22 -23.310 5.037 -10.518 1.00 1.62 H new ATOM 0 HG SER A 22 -23.528 3.044 -8.747 1.00 1.86 H new ATOM 364 N TRP A 23 -20.653 4.873 -10.391 1.00 0.69 N ATOM 365 CA TRP A 23 -19.474 4.728 -11.267 1.00 0.41 C ATOM 366 C TRP A 23 -18.196 4.699 -10.425 1.00 0.40 C ATOM 367 O TRP A 23 -17.627 5.741 -10.092 1.00 0.55 O ATOM 368 CB TRP A 23 -19.425 5.825 -12.359 1.00 0.43 C ATOM 369 CG TRP A 23 -20.325 5.506 -13.522 1.00 0.40 C ATOM 370 CD1 TRP A 23 -21.409 6.221 -13.961 1.00 0.45 C ATOM 371 CD2 TRP A 23 -20.213 4.364 -14.393 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.968 5.559 -15.024 1.00 0.42 N ATOM 373 CE2 TRP A 23 -21.263 4.428 -15.316 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.329 3.286 -14.464 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.438 3.459 -16.298 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.494 2.318 -15.443 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.541 2.399 -16.348 1.00 0.31 C ATOM 0 H TRP A 23 -21.227 4.031 -10.353 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.556 3.778 -11.796 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.719 6.781 -11.925 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -18.401 5.937 -12.714 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.764 7.150 -13.540 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.798 5.870 -15.528 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.517 3.206 -13.757 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.252 3.529 -17.005 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.800 1.493 -15.501 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.661 1.632 -17.098 1.00 0.31 H new ATOM 388 N HIS A 24 -17.779 3.482 -10.065 1.00 0.37 N ATOM 389 CA HIS A 24 -16.599 3.253 -9.234 1.00 0.45 C ATOM 390 C HIS A 24 -15.576 2.389 -9.984 1.00 0.36 C ATOM 391 O HIS A 24 -15.894 1.280 -10.425 1.00 0.34 O ATOM 392 CB HIS A 24 -17.048 2.548 -7.941 1.00 0.61 C ATOM 393 CG HIS A 24 -16.077 2.686 -6.804 1.00 1.18 C ATOM 394 ND1 HIS A 24 -16.413 3.229 -5.592 1.00 2.08 N ATOM 395 CD2 HIS A 24 -14.776 2.334 -6.681 1.00 1.66 C ATOM 396 CE1 HIS A 24 -15.393 3.217 -4.768 1.00 2.98 C ATOM 397 NE2 HIS A 24 -14.364 2.673 -5.403 1.00 2.74 N ATOM 0 H HIS A 24 -18.255 2.624 -10.345 1.00 0.37 H new ATOM 0 HA HIS A 24 -16.123 4.204 -8.995 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -18.012 2.953 -7.634 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -17.199 1.489 -8.150 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -17.337 3.595 -5.361 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -14.167 1.871 -7.444 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -15.391 3.585 -3.753 1.00 2.98 H new ATOM 405 N ASN A 25 -14.348 2.896 -10.102 1.00 0.37 N ATOM 406 CA ASN A 25 -13.251 2.179 -10.769 1.00 0.35 C ATOM 407 C ASN A 25 -12.723 1.094 -9.821 1.00 0.34 C ATOM 408 O ASN A 25 -12.020 1.397 -8.853 1.00 0.55 O ATOM 409 CB ASN A 25 -12.134 3.178 -11.134 1.00 0.44 C ATOM 410 CG ASN A 25 -10.902 2.471 -11.724 1.00 0.99 C ATOM 411 OD1 ASN A 25 -11.014 1.670 -12.649 1.00 1.71 O ATOM 412 ND2 ASN A 25 -9.729 2.772 -11.180 1.00 1.49 N ATOM 0 H ASN A 25 -14.082 3.812 -9.740 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.605 1.708 -11.686 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -12.516 3.903 -11.853 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.841 3.736 -10.245 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -8.877 2.333 -11.529 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -9.680 3.443 -10.413 1.00 1.49 H new ATOM 419 N VAL A 26 -13.088 -0.160 -10.093 1.00 0.22 N ATOM 420 CA VAL A 26 -12.685 -1.292 -9.254 1.00 0.21 C ATOM 421 C VAL A 26 -11.973 -2.370 -10.086 1.00 0.18 C ATOM 422 O VAL A 26 -12.135 -2.446 -11.308 1.00 0.23 O ATOM 423 CB VAL A 26 -13.938 -1.859 -8.550 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.813 -2.682 -9.506 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.552 -2.691 -7.328 1.00 0.31 C ATOM 0 H VAL A 26 -13.666 -0.419 -10.893 1.00 0.22 H new ATOM 0 HA VAL A 26 -11.973 -0.953 -8.501 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.528 -1.005 -8.217 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.682 -3.061 -8.968 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -15.143 -2.051 -10.331 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.236 -3.519 -9.898 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.453 -3.078 -6.852 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -12.920 -3.523 -7.639 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.007 -2.067 -6.620 1.00 0.31 H new ATOM 435 N TYR A 27 -11.186 -3.201 -9.407 1.00 0.16 N ATOM 436 CA TYR A 27 -10.438 -4.289 -10.043 1.00 0.16 C ATOM 437 C TYR A 27 -11.189 -5.601 -9.819 1.00 0.19 C ATOM 438 O TYR A 27 -11.397 -6.006 -8.680 1.00 0.34 O ATOM 439 CB TYR A 27 -9.030 -4.349 -9.435 1.00 0.17 C ATOM 440 CG TYR A 27 -8.044 -5.143 -10.257 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.911 -6.506 -10.053 1.00 0.26 C ATOM 442 CD2 TYR A 27 -7.281 -4.515 -11.228 1.00 0.28 C ATOM 443 CE1 TYR A 27 -7.018 -7.238 -10.813 1.00 0.30 C ATOM 444 CE2 TYR A 27 -6.391 -5.249 -11.989 1.00 0.33 C ATOM 445 CZ TYR A 27 -6.216 -6.586 -11.743 1.00 0.29 C ATOM 446 OH TYR A 27 -5.379 -7.334 -12.539 1.00 0.37 O ATOM 0 H TYR A 27 -11.047 -3.141 -8.398 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.345 -4.119 -11.116 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.653 -3.333 -9.314 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.093 -4.786 -8.439 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -8.506 -6.998 -9.298 1.00 0.26 H new ATOM 0 HD2 TYR A 27 -7.382 -3.452 -11.390 1.00 0.28 H new ATOM 0 HE1 TYR A 27 -6.944 -8.308 -10.685 1.00 0.30 H new ATOM 0 HE2 TYR A 27 -5.833 -4.768 -12.779 1.00 0.33 H new ATOM 0 HH TYR A 27 -4.882 -6.740 -13.140 1.00 0.37 H new ATOM 456 N CYS A 28 -11.618 -6.248 -10.899 1.00 0.16 N ATOM 457 CA CYS A 28 -12.377 -7.502 -10.810 1.00 0.19 C ATOM 458 C CYS A 28 -11.500 -8.708 -11.155 1.00 0.19 C ATOM 459 O CYS A 28 -10.707 -8.661 -12.099 1.00 0.23 O ATOM 460 CB CYS A 28 -13.577 -7.443 -11.761 1.00 0.23 C ATOM 461 SG CYS A 28 -14.659 -6.042 -11.422 1.00 0.34 S ATOM 0 H CYS A 28 -11.454 -5.926 -11.853 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.724 -7.620 -9.784 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -13.219 -7.381 -12.789 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.148 -8.368 -11.678 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.536 -6.379 -10.524 1.00 0.34 H new ATOM 467 N VAL A 29 -11.659 -9.786 -10.383 1.00 0.21 N ATOM 468 CA VAL A 29 -10.915 -11.033 -10.583 1.00 0.24 C ATOM 469 C VAL A 29 -11.899 -12.204 -10.602 1.00 0.26 C ATOM 470 O VAL A 29 -12.507 -12.521 -9.580 1.00 0.38 O ATOM 471 CB VAL A 29 -9.888 -11.234 -9.452 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.191 -12.594 -9.583 1.00 0.37 C ATOM 473 CG2 VAL A 29 -8.856 -10.105 -9.445 1.00 0.33 C ATOM 0 H VAL A 29 -12.310 -9.819 -9.598 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.380 -10.983 -11.531 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.426 -11.213 -8.504 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.471 -12.713 -8.774 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -9.933 -13.390 -9.528 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.673 -12.647 -10.541 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.142 -10.270 -8.638 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.328 -10.089 -10.399 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.361 -9.151 -9.294 1.00 0.33 H new ATOM 483 N ILE A 30 -12.056 -12.846 -11.761 1.00 0.28 N ATOM 484 CA ILE A 30 -12.971 -13.988 -11.905 1.00 0.32 C ATOM 485 C ILE A 30 -12.308 -15.252 -11.337 1.00 0.35 C ATOM 486 O ILE A 30 -11.142 -15.533 -11.628 1.00 0.44 O ATOM 487 CB ILE A 30 -13.348 -14.186 -13.384 1.00 0.40 C ATOM 488 CG1 ILE A 30 -13.731 -12.850 -14.041 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.506 -15.177 -13.516 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.009 -13.015 -15.535 1.00 0.57 C ATOM 0 H ILE A 30 -11.562 -12.596 -12.618 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.886 -13.790 -11.347 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.474 -14.588 -13.897 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.614 -12.442 -13.549 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -12.925 -12.130 -13.898 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.758 -15.304 -14.569 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -14.212 -16.138 -13.095 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.374 -14.796 -12.978 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.276 -12.049 -15.964 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -13.117 -13.398 -16.031 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -14.832 -13.715 -15.677 1.00 0.57 H new ATOM 502 N ASN A 31 -13.044 -15.995 -10.509 1.00 0.46 N ATOM 503 CA ASN A 31 -12.523 -17.211 -9.877 1.00 0.58 C ATOM 504 C ASN A 31 -13.616 -18.288 -9.764 1.00 0.71 C ATOM 505 O ASN A 31 -14.071 -18.611 -8.667 1.00 1.20 O ATOM 506 CB ASN A 31 -11.946 -16.867 -8.486 1.00 0.73 C ATOM 507 CG ASN A 31 -10.892 -17.894 -8.060 1.00 0.93 C ATOM 508 OD1 ASN A 31 -9.856 -18.037 -8.711 1.00 1.27 O ATOM 509 ND2 ASN A 31 -11.148 -18.605 -6.973 1.00 1.47 N ATOM 0 H ASN A 31 -14.008 -15.775 -10.259 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.727 -17.616 -10.501 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -11.501 -15.872 -8.509 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -12.751 -16.840 -7.751 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -10.476 -19.300 -6.648 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -12.017 -18.458 -6.460 1.00 1.47 H new ATOM 516 N ASN A 32 -14.001 -18.858 -10.912 1.00 0.85 N ATOM 517 CA ASN A 32 -15.003 -19.942 -10.988 1.00 1.00 C ATOM 518 C ASN A 32 -16.411 -19.508 -10.528 1.00 1.00 C ATOM 519 O ASN A 32 -16.732 -19.559 -9.339 1.00 1.97 O ATOM 520 CB ASN A 32 -14.517 -21.158 -10.170 1.00 1.24 C ATOM 521 CG ASN A 32 -15.382 -22.392 -10.452 1.00 1.73 C ATOM 522 OD1 ASN A 32 -15.439 -22.880 -11.582 1.00 2.06 O ATOM 523 ND2 ASN A 32 -16.048 -22.895 -9.422 1.00 2.52 N ATOM 0 H ASN A 32 -13.628 -18.583 -11.821 1.00 0.85 H new ATOM 0 HA ASN A 32 -15.099 -20.213 -12.039 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -13.477 -21.374 -10.416 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -14.550 -20.922 -9.106 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -16.637 -23.718 -9.548 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -15.972 -22.459 -8.503 1.00 2.52 H new ATOM 530 N GLN A 33 -17.252 -19.120 -11.501 1.00 0.75 N ATOM 531 CA GLN A 33 -18.663 -18.708 -11.273 1.00 0.67 C ATOM 532 C GLN A 33 -18.826 -17.510 -10.315 1.00 0.56 C ATOM 533 O GLN A 33 -19.969 -17.059 -10.076 1.00 0.71 O ATOM 534 CB GLN A 33 -19.480 -19.905 -10.757 1.00 0.83 C ATOM 535 CG GLN A 33 -19.716 -20.938 -11.869 1.00 1.46 C ATOM 536 CD GLN A 33 -19.362 -22.347 -11.391 1.00 1.85 C ATOM 537 OE1 GLN A 33 -19.945 -22.852 -10.429 1.00 2.11 O ATOM 538 NE2 GLN A 33 -18.414 -22.983 -12.059 1.00 2.67 N ATOM 0 H GLN A 33 -16.976 -19.080 -12.482 1.00 0.75 H new ATOM 0 HA GLN A 33 -19.038 -18.373 -12.240 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -18.955 -20.375 -9.926 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -20.438 -19.556 -10.372 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -20.759 -20.908 -12.183 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -19.113 -20.684 -12.741 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -17.956 -22.530 -12.850 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -18.141 -23.926 -11.783 1.00 2.67 H new ATOM 547 N GLU A 34 -17.706 -17.007 -9.763 1.00 0.53 N ATOM 548 CA GLU A 34 -17.724 -15.882 -8.827 1.00 0.49 C ATOM 549 C GLU A 34 -16.487 -15.015 -9.031 1.00 0.45 C ATOM 550 O GLU A 34 -15.422 -15.524 -9.371 1.00 0.64 O ATOM 551 CB GLU A 34 -17.765 -16.416 -7.387 1.00 0.61 C ATOM 552 CG GLU A 34 -18.662 -15.559 -6.490 1.00 1.25 C ATOM 553 CD GLU A 34 -18.612 -16.055 -5.048 1.00 1.42 C ATOM 554 OE1 GLU A 34 -18.018 -17.123 -4.801 1.00 1.89 O ATOM 555 OE2 GLU A 34 -19.160 -15.373 -4.156 1.00 1.79 O ATOM 0 H GLU A 34 -16.773 -17.370 -9.955 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.610 -15.274 -9.009 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -18.129 -17.443 -7.390 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -16.755 -16.437 -6.978 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -18.341 -14.518 -6.533 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -19.688 -15.591 -6.856 1.00 1.25 H new ATOM 562 N MET A 35 -16.628 -13.712 -8.813 1.00 0.36 N ATOM 563 CA MET A 35 -15.515 -12.775 -8.959 1.00 0.35 C ATOM 564 C MET A 35 -15.456 -11.844 -7.751 1.00 0.32 C ATOM 565 O MET A 35 -16.489 -11.419 -7.226 1.00 0.42 O ATOM 566 CB MET A 35 -15.631 -11.984 -10.275 1.00 0.41 C ATOM 567 CG MET A 35 -16.812 -11.010 -10.304 1.00 0.43 C ATOM 568 SD MET A 35 -16.698 -9.864 -11.691 1.00 0.60 S ATOM 569 CE MET A 35 -18.378 -9.230 -11.771 1.00 1.25 C ATOM 0 H MET A 35 -17.507 -13.277 -8.533 1.00 0.36 H new ATOM 0 HA MET A 35 -14.583 -13.339 -9.002 1.00 0.35 H new ATOM 0 HB2 MET A 35 -14.708 -11.427 -10.437 1.00 0.41 H new ATOM 0 HB3 MET A 35 -15.729 -12.686 -11.103 1.00 0.41 H new ATOM 0 HG2 MET A 35 -17.744 -11.571 -10.371 1.00 0.43 H new ATOM 0 HG3 MET A 35 -16.844 -10.449 -9.370 1.00 0.43 H new ATOM 0 HE1 MET A 35 -18.675 -9.117 -12.814 1.00 1.25 H new ATOM 0 HE2 MET A 35 -19.054 -9.926 -11.274 1.00 1.25 H new ATOM 0 HE3 MET A 35 -18.425 -8.261 -11.274 1.00 1.25 H new ATOM 579 N GLY A 36 -14.244 -11.540 -7.307 1.00 0.27 N ATOM 580 CA GLY A 36 -14.028 -10.669 -6.153 1.00 0.29 C ATOM 581 C GLY A 36 -13.559 -9.290 -6.602 1.00 0.25 C ATOM 582 O GLY A 36 -12.758 -9.168 -7.537 1.00 0.28 O ATOM 0 H GLY A 36 -13.384 -11.887 -7.732 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.952 -10.577 -5.582 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.286 -11.113 -5.489 1.00 0.29 H new ATOM 586 N PHE A 37 -14.060 -8.254 -5.934 1.00 0.24 N ATOM 587 CA PHE A 37 -13.698 -6.870 -6.247 1.00 0.25 C ATOM 588 C PHE A 37 -12.513 -6.448 -5.374 1.00 0.25 C ATOM 589 O PHE A 37 -12.594 -6.484 -4.147 1.00 0.40 O ATOM 590 CB PHE A 37 -14.885 -5.931 -5.984 1.00 0.30 C ATOM 591 CG PHE A 37 -16.032 -6.038 -6.984 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.076 -7.055 -7.933 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.060 -5.104 -6.942 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.134 -7.129 -8.822 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.113 -5.184 -7.835 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.148 -6.197 -8.773 1.00 0.33 C ATOM 0 H PHE A 37 -14.724 -8.346 -5.165 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.427 -6.806 -7.301 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.274 -6.134 -4.986 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -14.521 -4.904 -5.981 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.283 -7.787 -7.976 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.037 -4.312 -6.208 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.165 -7.920 -9.557 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -18.908 -4.454 -7.799 1.00 0.45 H new ATOM 0 HZ PHE A 37 -18.971 -6.259 -9.469 1.00 0.33 H new ATOM 606 N TYR A 38 -11.420 -6.048 -6.013 1.00 0.20 N ATOM 607 CA TYR A 38 -10.204 -5.614 -5.316 1.00 0.21 C ATOM 608 C TYR A 38 -9.890 -4.150 -5.659 1.00 0.21 C ATOM 609 O TYR A 38 -10.638 -3.499 -6.396 1.00 0.23 O ATOM 610 CB TYR A 38 -9.031 -6.515 -5.731 1.00 0.23 C ATOM 611 CG TYR A 38 -9.105 -7.910 -5.146 1.00 0.27 C ATOM 612 CD1 TYR A 38 -8.554 -8.171 -3.905 1.00 0.42 C ATOM 613 CD2 TYR A 38 -9.733 -8.922 -5.849 1.00 0.27 C ATOM 614 CE1 TYR A 38 -8.631 -9.444 -3.366 1.00 0.50 C ATOM 615 CE2 TYR A 38 -9.809 -10.195 -5.313 1.00 0.35 C ATOM 616 CZ TYR A 38 -9.220 -10.458 -4.081 1.00 0.44 C ATOM 617 OH TYR A 38 -9.338 -11.721 -3.539 1.00 0.55 O ATOM 0 H TYR A 38 -11.347 -6.014 -7.030 1.00 0.20 H new ATOM 0 HA TYR A 38 -10.359 -5.693 -4.240 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.005 -6.586 -6.818 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.097 -6.048 -5.420 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -8.063 -7.381 -3.356 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -10.165 -8.718 -6.818 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -8.228 -9.640 -2.383 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.323 -10.980 -5.848 1.00 0.35 H new ATOM 0 HH TYR A 38 -9.780 -12.313 -4.183 1.00 0.55 H new ATOM 627 N LYS A 39 -8.775 -3.631 -5.130 1.00 0.25 N ATOM 628 CA LYS A 39 -8.368 -2.243 -5.387 1.00 0.29 C ATOM 629 C LYS A 39 -7.570 -2.133 -6.696 1.00 0.28 C ATOM 630 O LYS A 39 -7.749 -1.182 -7.460 1.00 0.33 O ATOM 631 CB LYS A 39 -7.534 -1.710 -4.212 1.00 0.36 C ATOM 632 CG LYS A 39 -7.560 -0.180 -4.162 1.00 0.70 C ATOM 633 CD LYS A 39 -6.544 0.372 -3.164 1.00 1.15 C ATOM 634 CE LYS A 39 -6.560 1.905 -3.150 1.00 1.82 C ATOM 635 NZ LYS A 39 -5.258 2.469 -2.696 1.00 2.51 N ATOM 0 H LYS A 39 -8.140 -4.149 -4.523 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.269 -1.639 -5.488 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -7.921 -2.113 -3.276 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -6.505 -2.056 -4.307 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -7.349 0.220 -5.154 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -8.559 0.158 -3.888 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -6.767 -0.006 -2.166 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -5.546 0.018 -3.423 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -6.787 2.275 -4.150 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -7.356 2.254 -2.492 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -5.309 3.508 -2.700 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -5.053 2.137 -1.732 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -4.502 2.157 -3.338 1.00 2.51 H new ATOM 649 N ASP A 40 -6.689 -3.104 -6.942 1.00 0.28 N ATOM 650 CA ASP A 40 -5.855 -3.124 -8.151 1.00 0.32 C ATOM 651 C ASP A 40 -5.199 -4.500 -8.326 1.00 0.33 C ATOM 652 O ASP A 40 -5.572 -5.470 -7.656 1.00 0.32 O ATOM 653 CB ASP A 40 -4.785 -2.000 -8.108 1.00 0.38 C ATOM 654 CG ASP A 40 -3.893 -2.072 -6.862 1.00 0.57 C ATOM 655 OD1 ASP A 40 -3.585 -3.182 -6.390 1.00 0.94 O ATOM 656 OD2 ASP A 40 -3.493 -1.003 -6.360 1.00 0.84 O ATOM 0 H ASP A 40 -6.532 -3.894 -6.316 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.497 -2.938 -9.012 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.161 -2.065 -8.999 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.282 -1.031 -8.137 1.00 0.38 H new ATOM 661 N ALA A 41 -4.226 -4.570 -9.235 1.00 0.40 N ATOM 662 CA ALA A 41 -3.498 -5.811 -9.533 1.00 0.45 C ATOM 663 C ALA A 41 -2.680 -6.289 -8.328 1.00 0.45 C ATOM 664 O ALA A 41 -2.631 -7.483 -8.040 1.00 0.47 O ATOM 665 CB ALA A 41 -2.580 -5.598 -10.741 1.00 0.55 C ATOM 0 H ALA A 41 -3.918 -3.770 -9.787 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.231 -6.584 -9.764 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.043 -6.522 -10.957 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.178 -5.315 -11.607 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -1.865 -4.806 -10.519 1.00 0.55 H new ATOM 671 N LYS A 42 -2.048 -5.352 -7.614 1.00 0.46 N ATOM 672 CA LYS A 42 -1.242 -5.685 -6.429 1.00 0.48 C ATOM 673 C LYS A 42 -2.147 -6.170 -5.289 1.00 0.43 C ATOM 674 O LYS A 42 -1.830 -7.139 -4.595 1.00 0.47 O ATOM 675 CB LYS A 42 -0.431 -4.459 -5.983 1.00 0.54 C ATOM 676 CG LYS A 42 0.617 -4.070 -7.037 1.00 0.77 C ATOM 677 CD LYS A 42 0.704 -2.551 -7.232 1.00 1.12 C ATOM 678 CE LYS A 42 1.863 -1.947 -6.430 1.00 1.96 C ATOM 679 NZ LYS A 42 3.165 -2.099 -7.139 1.00 2.76 N ATOM 0 H LYS A 42 -2.077 -4.356 -7.834 1.00 0.46 H new ATOM 0 HA LYS A 42 -0.551 -6.488 -6.687 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -1.104 -3.619 -5.808 1.00 0.54 H new ATOM 0 HB3 LYS A 42 0.064 -4.673 -5.036 1.00 0.54 H new ATOM 0 HG2 LYS A 42 1.592 -4.453 -6.736 1.00 0.77 H new ATOM 0 HG3 LYS A 42 0.368 -4.543 -7.987 1.00 0.77 H new ATOM 0 HD2 LYS A 42 0.836 -2.326 -8.290 1.00 1.12 H new ATOM 0 HD3 LYS A 42 -0.234 -2.089 -6.923 1.00 1.12 H new ATOM 0 HE2 LYS A 42 1.668 -0.890 -6.250 1.00 1.96 H new ATOM 0 HE3 LYS A 42 1.921 -2.431 -5.455 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 3.924 -1.679 -6.565 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 3.363 -3.109 -7.288 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 3.118 -1.616 -8.059 1.00 2.76 H new ATOM 693 N SER A 43 -3.286 -5.494 -5.123 1.00 0.38 N ATOM 694 CA SER A 43 -4.275 -5.839 -4.095 1.00 0.38 C ATOM 695 C SER A 43 -4.890 -7.217 -4.396 1.00 0.39 C ATOM 696 O SER A 43 -5.095 -8.021 -3.489 1.00 0.45 O ATOM 697 CB SER A 43 -5.347 -4.726 -4.025 1.00 0.37 C ATOM 698 OG SER A 43 -6.625 -5.207 -3.615 1.00 1.04 O ATOM 0 H SER A 43 -3.550 -4.693 -5.696 1.00 0.38 H new ATOM 0 HA SER A 43 -3.795 -5.907 -3.119 1.00 0.38 H new ATOM 0 HB2 SER A 43 -5.016 -3.954 -3.331 1.00 0.37 H new ATOM 0 HB3 SER A 43 -5.439 -4.256 -5.004 1.00 0.37 H new ATOM 0 HG SER A 43 -6.545 -5.647 -2.743 1.00 1.04 H new ATOM 704 N ALA A 44 -5.163 -7.484 -5.675 1.00 0.37 N ATOM 705 CA ALA A 44 -5.739 -8.764 -6.104 1.00 0.43 C ATOM 706 C ALA A 44 -4.697 -9.890 -6.040 1.00 0.51 C ATOM 707 O ALA A 44 -5.002 -11.004 -5.613 1.00 0.59 O ATOM 708 CB ALA A 44 -6.280 -8.631 -7.529 1.00 0.43 C ATOM 0 H ALA A 44 -4.994 -6.828 -6.437 1.00 0.37 H new ATOM 0 HA ALA A 44 -6.553 -9.020 -5.426 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -6.707 -9.582 -7.846 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.050 -7.860 -7.555 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.468 -8.356 -8.202 1.00 0.43 H new ATOM 714 N ALA A 45 -3.473 -9.594 -6.483 1.00 0.54 N ATOM 715 CA ALA A 45 -2.372 -10.570 -6.502 1.00 0.64 C ATOM 716 C ALA A 45 -1.968 -11.003 -5.086 1.00 0.68 C ATOM 717 O ALA A 45 -1.877 -12.199 -4.801 1.00 0.76 O ATOM 718 CB ALA A 45 -1.160 -9.973 -7.229 1.00 0.69 C ATOM 0 H ALA A 45 -3.214 -8.674 -6.839 1.00 0.54 H new ATOM 0 HA ALA A 45 -2.722 -11.455 -7.033 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -0.348 -10.700 -7.240 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -1.437 -9.723 -8.253 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -0.833 -9.071 -6.711 1.00 0.69 H new ATOM 724 N SER A 46 -1.713 -10.029 -4.207 1.00 0.65 N ATOM 725 CA SER A 46 -1.299 -10.309 -2.822 1.00 0.73 C ATOM 726 C SER A 46 -2.489 -10.722 -1.933 1.00 0.74 C ATOM 727 O SER A 46 -2.292 -11.213 -0.822 1.00 0.84 O ATOM 728 CB SER A 46 -0.607 -9.076 -2.235 1.00 0.75 C ATOM 729 OG SER A 46 0.500 -8.685 -3.044 1.00 1.21 O ATOM 0 H SER A 46 -1.785 -9.036 -4.428 1.00 0.65 H new ATOM 0 HA SER A 46 -0.605 -11.149 -2.844 1.00 0.73 H new ATOM 0 HB2 SER A 46 -1.319 -8.254 -2.162 1.00 0.75 H new ATOM 0 HB3 SER A 46 -0.265 -9.292 -1.223 1.00 0.75 H new ATOM 0 HG SER A 46 0.928 -7.895 -2.653 1.00 1.21 H new ATOM 735 N GLY A 47 -3.715 -10.523 -2.423 1.00 0.70 N ATOM 736 CA GLY A 47 -4.932 -10.880 -1.679 1.00 0.74 C ATOM 737 C GLY A 47 -5.203 -9.897 -0.539 1.00 0.75 C ATOM 738 O GLY A 47 -5.426 -10.300 0.607 1.00 0.88 O ATOM 0 H GLY A 47 -3.895 -10.113 -3.340 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -5.784 -10.894 -2.359 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -4.830 -11.887 -1.275 1.00 0.74 H new ATOM 742 N ILE A 48 -5.195 -8.607 -0.868 1.00 0.67 N ATOM 743 CA ILE A 48 -5.450 -7.534 0.100 1.00 0.72 C ATOM 744 C ILE A 48 -6.895 -7.056 -0.067 1.00 0.75 C ATOM 745 O ILE A 48 -7.296 -6.670 -1.168 1.00 0.75 O ATOM 746 CB ILE A 48 -4.475 -6.362 -0.133 1.00 0.71 C ATOM 747 CG1 ILE A 48 -3.020 -6.850 -0.139 1.00 0.78 C ATOM 748 CG2 ILE A 48 -4.652 -5.281 0.936 1.00 0.82 C ATOM 749 CD1 ILE A 48 -2.070 -5.767 -0.647 1.00 0.97 C ATOM 0 H ILE A 48 -5.012 -8.272 -1.814 1.00 0.67 H new ATOM 0 HA ILE A 48 -5.298 -7.909 1.112 1.00 0.72 H new ATOM 0 HB ILE A 48 -4.706 -5.933 -1.108 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -2.730 -7.146 0.869 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -2.934 -7.736 -0.769 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -3.953 -4.466 0.749 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -5.672 -4.899 0.902 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -4.457 -5.707 1.920 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -1.048 -6.146 -0.638 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -2.345 -5.490 -1.665 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -2.138 -4.891 -0.001 1.00 0.97 H new ATOM 761 N PRO A 49 -7.700 -7.074 1.014 1.00 0.84 N ATOM 762 CA PRO A 49 -9.110 -6.638 0.958 1.00 0.93 C ATOM 763 C PRO A 49 -9.244 -5.120 0.775 1.00 0.93 C ATOM 764 O PRO A 49 -8.710 -4.339 1.563 1.00 1.08 O ATOM 765 CB PRO A 49 -9.690 -7.096 2.298 1.00 1.07 C ATOM 766 CG PRO A 49 -8.522 -7.192 3.224 1.00 1.06 C ATOM 767 CD PRO A 49 -7.315 -7.514 2.372 1.00 0.92 C ATOM 0 HA PRO A 49 -9.636 -7.063 0.103 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -10.429 -6.386 2.670 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -10.194 -8.058 2.200 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -8.377 -6.255 3.762 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -8.685 -7.967 3.973 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -6.428 -6.988 2.724 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -7.084 -8.579 2.395 1.00 0.92 H new ATOM 775 N TYR A 50 -9.967 -4.716 -0.271 1.00 0.87 N ATOM 776 CA TYR A 50 -10.195 -3.295 -0.577 1.00 0.91 C ATOM 777 C TYR A 50 -11.170 -2.697 0.449 1.00 1.12 C ATOM 778 O TYR A 50 -10.926 -1.628 1.012 1.00 1.91 O ATOM 779 CB TYR A 50 -10.747 -3.178 -2.009 1.00 0.92 C ATOM 780 CG TYR A 50 -11.076 -1.767 -2.478 1.00 0.94 C ATOM 781 CD1 TYR A 50 -10.398 -0.688 -1.922 1.00 1.02 C ATOM 782 CD2 TYR A 50 -12.043 -1.533 -3.449 1.00 1.13 C ATOM 783 CE1 TYR A 50 -10.682 0.604 -2.331 1.00 1.13 C ATOM 784 CE2 TYR A 50 -12.324 -0.239 -3.855 1.00 1.24 C ATOM 785 CZ TYR A 50 -11.709 0.783 -3.370 1.00 1.17 C ATOM 786 OH TYR A 50 -11.927 2.111 -3.697 1.00 1.34 O ATOM 0 H TYR A 50 -10.410 -5.357 -0.929 1.00 0.87 H new ATOM 0 HA TYR A 50 -9.261 -2.737 -0.516 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -10.018 -3.608 -2.696 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -11.650 -3.785 -2.081 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -9.645 -0.859 -1.167 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -12.577 -2.363 -3.888 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -10.168 1.451 -1.902 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -13.086 -0.082 -4.605 1.00 1.24 H new ATOM 0 HH TYR A 50 -12.734 2.184 -4.248 1.00 1.34 H new ATOM 796 N HIS A 51 -12.252 -3.429 0.707 1.00 1.28 N ATOM 797 CA HIS A 51 -13.271 -3.036 1.690 1.00 1.53 C ATOM 798 C HIS A 51 -13.229 -4.037 2.843 1.00 1.61 C ATOM 799 O HIS A 51 -12.882 -3.699 3.972 1.00 2.07 O ATOM 800 CB HIS A 51 -14.671 -3.034 1.045 1.00 2.01 C ATOM 801 CG HIS A 51 -14.986 -1.779 0.284 1.00 2.54 C ATOM 802 ND1 HIS A 51 -16.124 -1.044 0.490 1.00 3.19 N ATOM 803 CD2 HIS A 51 -14.322 -1.123 -0.701 1.00 2.89 C ATOM 804 CE1 HIS A 51 -16.170 -0.008 -0.310 1.00 3.87 C ATOM 805 NE2 HIS A 51 -15.077 -0.021 -1.059 1.00 3.74 N ATOM 0 H HIS A 51 -12.451 -4.314 0.241 1.00 1.28 H new ATOM 0 HA HIS A 51 -13.066 -2.029 2.053 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -14.751 -3.886 0.371 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -15.420 -3.173 1.825 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -13.373 -1.410 -1.129 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -16.960 0.727 -0.352 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -14.834 0.663 -1.776 1.00 3.74 H new ATOM 813 N SER A 52 -13.568 -5.279 2.520 1.00 1.60 N ATOM 814 CA SER A 52 -13.577 -6.393 3.467 1.00 1.96 C ATOM 815 C SER A 52 -13.822 -7.667 2.662 1.00 1.85 C ATOM 816 O SER A 52 -12.882 -8.358 2.272 1.00 2.45 O ATOM 817 CB SER A 52 -14.668 -6.195 4.536 1.00 2.44 C ATOM 818 OG SER A 52 -15.874 -5.697 3.962 1.00 2.65 O ATOM 0 H SER A 52 -13.850 -5.548 1.577 1.00 1.60 H new ATOM 0 HA SER A 52 -12.626 -6.455 3.997 1.00 1.96 H new ATOM 0 HB2 SER A 52 -14.866 -7.143 5.036 1.00 2.44 H new ATOM 0 HB3 SER A 52 -14.312 -5.501 5.297 1.00 2.44 H new ATOM 0 HG SER A 52 -16.548 -5.583 4.664 1.00 2.65 H new ATOM 824 N GLU A 53 -15.094 -7.924 2.369 1.00 1.45 N ATOM 825 CA GLU A 53 -15.520 -9.064 1.558 1.00 1.37 C ATOM 826 C GLU A 53 -16.540 -8.559 0.542 1.00 1.08 C ATOM 827 O GLU A 53 -17.681 -8.261 0.900 1.00 1.24 O ATOM 828 CB GLU A 53 -16.148 -10.167 2.426 1.00 1.73 C ATOM 829 CG GLU A 53 -15.081 -11.084 3.039 1.00 2.39 C ATOM 830 CD GLU A 53 -14.536 -10.509 4.340 1.00 2.88 C ATOM 831 OE1 GLU A 53 -15.304 -9.848 5.067 1.00 3.23 O ATOM 832 OE2 GLU A 53 -13.335 -10.703 4.629 1.00 3.46 O ATOM 0 H GLU A 53 -15.867 -7.341 2.691 1.00 1.45 H new ATOM 0 HA GLU A 53 -14.654 -9.498 1.058 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -16.738 -9.712 3.222 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -16.833 -10.760 1.821 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -15.509 -12.069 3.226 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -14.265 -11.220 2.329 1.00 2.39 H new ATOM 839 N VAL A 54 -16.116 -8.436 -0.716 1.00 0.84 N ATOM 840 CA VAL A 54 -16.978 -7.939 -1.793 1.00 0.66 C ATOM 841 C VAL A 54 -16.968 -8.905 -2.987 1.00 0.55 C ATOM 842 O VAL A 54 -16.244 -8.721 -3.967 1.00 0.49 O ATOM 843 CB VAL A 54 -16.522 -6.519 -2.160 1.00 0.81 C ATOM 844 CG1 VAL A 54 -15.008 -6.446 -2.437 1.00 0.77 C ATOM 845 CG2 VAL A 54 -17.330 -5.933 -3.324 1.00 1.34 C ATOM 0 H VAL A 54 -15.172 -8.676 -1.018 1.00 0.84 H new ATOM 0 HA VAL A 54 -18.016 -7.888 -1.465 1.00 0.66 H new ATOM 0 HB VAL A 54 -16.720 -5.900 -1.285 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -14.734 -5.422 -2.692 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -14.460 -6.758 -1.548 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -14.758 -7.106 -3.267 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -16.971 -4.928 -3.547 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -17.210 -6.565 -4.204 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -18.384 -5.889 -3.050 1.00 1.34 H new ATOM 855 N PRO A 55 -17.768 -9.981 -2.879 1.00 0.62 N ATOM 856 CA PRO A 55 -17.886 -11.032 -3.890 1.00 0.59 C ATOM 857 C PRO A 55 -19.135 -10.857 -4.771 1.00 0.58 C ATOM 858 O PRO A 55 -20.233 -10.612 -4.263 1.00 0.83 O ATOM 859 CB PRO A 55 -18.006 -12.288 -3.018 1.00 0.76 C ATOM 860 CG PRO A 55 -18.562 -11.818 -1.694 1.00 0.87 C ATOM 861 CD PRO A 55 -18.619 -10.302 -1.735 1.00 0.83 C ATOM 0 HA PRO A 55 -17.055 -11.046 -4.595 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -18.665 -13.023 -3.480 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -17.036 -12.767 -2.887 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -19.555 -12.235 -1.526 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -17.931 -12.156 -0.872 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -19.637 -9.938 -1.873 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -18.244 -9.857 -0.813 1.00 0.83 H new ATOM 869 N VAL A 56 -18.963 -11.009 -6.082 1.00 0.41 N ATOM 870 CA VAL A 56 -20.066 -10.902 -7.040 1.00 0.43 C ATOM 871 C VAL A 56 -20.088 -12.171 -7.899 1.00 0.42 C ATOM 872 O VAL A 56 -19.065 -12.568 -8.461 1.00 0.43 O ATOM 873 CB VAL A 56 -19.909 -9.639 -7.908 1.00 0.44 C ATOM 874 CG1 VAL A 56 -20.930 -9.641 -9.053 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.064 -8.372 -7.052 1.00 0.63 C ATOM 0 H VAL A 56 -18.060 -11.209 -6.511 1.00 0.41 H new ATOM 0 HA VAL A 56 -21.014 -10.810 -6.510 1.00 0.43 H new ATOM 0 HB VAL A 56 -18.908 -9.643 -8.339 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -20.803 -8.741 -9.655 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -20.774 -10.520 -9.678 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -21.939 -9.663 -8.641 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -19.950 -7.490 -7.683 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -21.052 -8.363 -6.591 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.300 -8.363 -6.274 1.00 0.63 H new ATOM 885 N SER A 57 -21.251 -12.818 -7.970 1.00 0.47 N ATOM 886 CA SER A 57 -21.428 -14.055 -8.718 1.00 0.48 C ATOM 887 C SER A 57 -21.605 -13.794 -10.217 1.00 0.46 C ATOM 888 O SER A 57 -22.248 -12.822 -10.619 1.00 0.59 O ATOM 889 CB SER A 57 -22.646 -14.781 -8.166 1.00 0.61 C ATOM 890 OG SER A 57 -22.559 -14.919 -6.750 1.00 0.91 O ATOM 0 H SER A 57 -22.100 -12.494 -7.506 1.00 0.47 H new ATOM 0 HA SER A 57 -20.533 -14.666 -8.603 1.00 0.48 H new ATOM 0 HB2 SER A 57 -23.551 -14.232 -8.427 1.00 0.61 H new ATOM 0 HB3 SER A 57 -22.727 -15.765 -8.627 1.00 0.61 H new ATOM 0 HG SER A 57 -23.353 -15.387 -6.418 1.00 0.91 H new ATOM 896 N LEU A 58 -21.045 -14.690 -11.030 1.00 0.44 N ATOM 897 CA LEU A 58 -21.135 -14.616 -12.495 1.00 0.49 C ATOM 898 C LEU A 58 -21.816 -15.877 -13.031 1.00 0.60 C ATOM 899 O LEU A 58 -21.597 -16.283 -14.173 1.00 0.89 O ATOM 900 CB LEU A 58 -19.734 -14.466 -13.110 1.00 0.67 C ATOM 901 CG LEU A 58 -19.210 -13.042 -12.966 1.00 0.70 C ATOM 902 CD1 LEU A 58 -17.795 -12.940 -13.534 1.00 0.86 C ATOM 903 CD2 LEU A 58 -20.142 -12.052 -13.667 1.00 0.60 C ATOM 0 H LEU A 58 -20.513 -15.492 -10.693 1.00 0.44 H new ATOM 0 HA LEU A 58 -21.727 -13.744 -12.772 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.046 -15.159 -12.625 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -19.768 -14.737 -14.165 1.00 0.67 H new ATOM 0 HG LEU A 58 -19.179 -12.789 -11.906 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -17.432 -11.918 -13.425 1.00 0.86 H new ATOM 0 HD12 LEU A 58 -17.136 -13.619 -12.993 1.00 0.86 H new ATOM 0 HD13 LEU A 58 -17.806 -13.210 -14.590 1.00 0.86 H new ATOM 0 HD21 LEU A 58 -19.751 -11.041 -13.553 1.00 0.60 H new ATOM 0 HD22 LEU A 58 -20.205 -12.299 -14.727 1.00 0.60 H new ATOM 0 HD23 LEU A 58 -21.135 -12.109 -13.221 1.00 0.60 H new ATOM 915 N LYS A 59 -22.657 -16.482 -12.193 1.00 0.70 N ATOM 916 CA LYS A 59 -23.400 -17.688 -12.554 1.00 0.90 C ATOM 917 C LYS A 59 -24.663 -17.284 -13.315 1.00 0.87 C ATOM 918 O LYS A 59 -25.521 -16.584 -12.769 1.00 0.95 O ATOM 919 CB LYS A 59 -23.757 -18.476 -11.285 1.00 1.13 C ATOM 920 CG LYS A 59 -24.202 -19.905 -11.608 1.00 1.41 C ATOM 921 CD LYS A 59 -23.910 -20.856 -10.445 1.00 1.78 C ATOM 922 CE LYS A 59 -24.682 -22.169 -10.591 1.00 2.18 C ATOM 923 NZ LYS A 59 -26.097 -22.021 -10.150 1.00 2.83 N ATOM 0 H LYS A 59 -22.842 -16.150 -11.246 1.00 0.70 H new ATOM 0 HA LYS A 59 -22.790 -18.327 -13.192 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -22.893 -18.506 -10.621 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -24.553 -17.960 -10.749 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -25.269 -19.914 -11.829 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -23.688 -20.254 -12.504 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -22.841 -21.064 -10.402 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -24.179 -20.376 -9.504 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -24.656 -22.494 -11.631 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -24.195 -22.946 -10.002 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -26.592 -22.929 -10.262 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -26.121 -21.734 -9.151 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -26.567 -21.296 -10.729 1.00 2.83 H new ATOM 937 N GLU A 60 -24.755 -17.704 -14.581 1.00 0.89 N ATOM 938 CA GLU A 60 -25.893 -17.377 -15.455 1.00 0.93 C ATOM 939 C GLU A 60 -26.028 -15.857 -15.608 1.00 0.71 C ATOM 940 O GLU A 60 -27.105 -15.288 -15.393 1.00 0.82 O ATOM 941 CB GLU A 60 -27.196 -17.983 -14.911 1.00 1.20 C ATOM 942 CG GLU A 60 -27.077 -19.500 -14.719 1.00 1.43 C ATOM 943 CD GLU A 60 -28.455 -20.126 -14.540 1.00 1.80 C ATOM 944 OE1 GLU A 60 -29.332 -19.894 -15.395 1.00 2.04 O ATOM 945 OE2 GLU A 60 -28.665 -20.852 -13.547 1.00 2.33 O ATOM 0 H GLU A 60 -24.044 -18.280 -15.031 1.00 0.89 H new ATOM 0 HA GLU A 60 -25.705 -17.811 -16.437 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -27.446 -17.514 -13.959 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -28.014 -17.766 -15.598 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -26.579 -19.943 -15.581 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -26.458 -19.715 -13.848 1.00 1.43 H new ATOM 952 N ALA A 61 -24.920 -15.208 -15.962 1.00 0.51 N ATOM 953 CA ALA A 61 -24.880 -13.758 -16.131 1.00 0.35 C ATOM 954 C ALA A 61 -25.116 -13.378 -17.594 1.00 0.35 C ATOM 955 O ALA A 61 -24.299 -13.684 -18.466 1.00 0.43 O ATOM 956 CB ALA A 61 -23.522 -13.220 -15.660 1.00 0.31 C ATOM 0 H ALA A 61 -24.029 -15.671 -16.139 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.673 -13.314 -15.529 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.495 -12.138 -15.787 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.379 -13.465 -14.608 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.726 -13.674 -16.250 1.00 0.31 H new ATOM 962 N ILE A 62 -26.230 -12.696 -17.854 1.00 0.34 N ATOM 963 CA ILE A 62 -26.578 -12.242 -19.204 1.00 0.37 C ATOM 964 C ILE A 62 -25.848 -10.927 -19.481 1.00 0.31 C ATOM 965 O ILE A 62 -25.747 -10.071 -18.596 1.00 0.31 O ATOM 966 CB ILE A 62 -28.099 -12.065 -19.316 1.00 0.46 C ATOM 967 CG1 ILE A 62 -28.803 -13.425 -19.183 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.478 -11.390 -20.637 1.00 0.57 C ATOM 969 CD1 ILE A 62 -30.329 -13.286 -19.211 1.00 1.27 C ATOM 0 H ILE A 62 -26.915 -12.443 -17.142 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.272 -12.981 -19.944 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.429 -11.418 -18.503 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -28.484 -14.080 -19.994 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.499 -13.901 -18.251 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.561 -11.277 -20.690 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -28.007 -10.408 -20.692 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.136 -12.004 -21.470 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -30.786 -14.271 -19.114 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -30.652 -12.653 -18.384 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -30.636 -12.835 -20.155 1.00 1.27 H new ATOM 981 N CYS A 63 -25.320 -10.776 -20.693 1.00 0.34 N ATOM 982 CA CYS A 63 -24.566 -9.579 -21.068 1.00 0.33 C ATOM 983 C CYS A 63 -25.121 -8.941 -22.346 1.00 0.34 C ATOM 984 O CYS A 63 -25.376 -9.627 -23.343 1.00 0.52 O ATOM 985 CB CYS A 63 -23.091 -9.949 -21.248 1.00 0.37 C ATOM 986 SG CYS A 63 -21.995 -8.583 -20.856 1.00 0.53 S ATOM 0 H CYS A 63 -25.400 -11.470 -21.436 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.664 -8.842 -20.271 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.851 -10.799 -20.610 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -22.921 -10.265 -22.277 1.00 0.37 H new ATOM 0 HG CYS A 63 -20.803 -9.040 -20.609 1.00 0.53 H new ATOM 992 N GLU A 64 -25.290 -7.617 -22.298 1.00 0.26 N ATOM 993 CA GLU A 64 -25.795 -6.817 -23.420 1.00 0.29 C ATOM 994 C GLU A 64 -24.816 -5.662 -23.661 1.00 0.24 C ATOM 995 O GLU A 64 -24.376 -5.018 -22.711 1.00 0.36 O ATOM 996 CB GLU A 64 -27.205 -6.285 -23.095 1.00 0.33 C ATOM 997 CG GLU A 64 -27.987 -7.268 -22.211 1.00 0.81 C ATOM 998 CD GLU A 64 -29.458 -6.885 -22.147 1.00 1.41 C ATOM 999 OE1 GLU A 64 -30.129 -6.889 -23.199 1.00 1.83 O ATOM 1000 OE2 GLU A 64 -29.948 -6.577 -21.044 1.00 1.96 O ATOM 0 H GLU A 64 -25.078 -7.062 -21.469 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.870 -7.426 -24.321 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -27.124 -5.323 -22.588 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.753 -6.112 -24.022 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -27.887 -8.279 -22.607 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -27.565 -7.276 -21.206 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.448 -5.419 -24.916 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.483 -4.360 -25.260 1.00 0.32 C ATOM 1009 C VAL A 65 -24.143 -2.973 -25.326 1.00 0.31 C ATOM 1010 O VAL A 65 -25.194 -2.796 -25.946 1.00 0.43 O ATOM 1011 CB VAL A 65 -22.807 -4.683 -26.602 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -21.623 -3.747 -26.851 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.342 -6.140 -26.641 1.00 0.39 C ATOM 0 H VAL A 65 -24.801 -5.939 -25.719 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.735 -4.329 -24.468 1.00 0.32 H new ATOM 0 HB VAL A 65 -23.543 -4.533 -27.392 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.159 -3.993 -27.806 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -21.973 -2.715 -26.873 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -20.892 -3.865 -26.051 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -21.867 -6.345 -27.600 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -21.627 -6.315 -25.837 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.200 -6.799 -26.513 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.483 -1.996 -24.700 1.00 0.25 N ATOM 1024 CA ALA A 66 -23.922 -0.593 -24.666 1.00 0.31 C ATOM 1025 C ALA A 66 -22.709 0.286 -25.016 1.00 0.34 C ATOM 1026 O ALA A 66 -22.093 0.911 -24.149 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.472 -0.243 -23.269 1.00 0.36 C ATOM 0 H ALA A 66 -22.613 -2.157 -24.193 1.00 0.25 H new ATOM 0 HA ALA A 66 -24.723 -0.422 -25.385 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.794 0.798 -23.255 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.320 -0.888 -23.040 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.691 -0.391 -22.523 1.00 0.36 H new ATOM 1033 N LEU A 67 -22.333 0.282 -26.300 1.00 0.55 N ATOM 1034 CA LEU A 67 -21.161 1.030 -26.778 1.00 0.71 C ATOM 1035 C LEU A 67 -21.344 2.554 -26.675 1.00 0.89 C ATOM 1036 O LEU A 67 -20.374 3.266 -26.431 1.00 1.22 O ATOM 1037 CB LEU A 67 -20.828 0.631 -28.227 1.00 0.76 C ATOM 1038 CG LEU A 67 -19.314 0.494 -28.432 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -18.889 -0.972 -28.314 1.00 1.38 C ATOM 1040 CD2 LEU A 67 -18.888 1.071 -29.782 1.00 1.39 C ATOM 0 H LEU A 67 -22.825 -0.233 -27.031 1.00 0.55 H new ATOM 0 HA LEU A 67 -20.329 0.765 -26.125 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -21.317 -0.313 -28.468 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -21.224 1.380 -28.913 1.00 0.76 H new ATOM 0 HG LEU A 67 -18.813 1.065 -27.650 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -17.812 -1.052 -28.462 1.00 1.38 H new ATOM 0 HD12 LEU A 67 -19.148 -1.347 -27.324 1.00 1.38 H new ATOM 0 HD13 LEU A 67 -19.404 -1.562 -29.072 1.00 1.38 H new ATOM 0 HD21 LEU A 67 -17.810 0.961 -29.901 1.00 1.39 H new ATOM 0 HD22 LEU A 67 -19.398 0.537 -30.583 1.00 1.39 H new ATOM 0 HD23 LEU A 67 -19.152 2.128 -29.825 1.00 1.39 H new ATOM 1052 N ASP A 68 -22.571 3.052 -26.860 1.00 0.90 N ATOM 1053 CA ASP A 68 -22.841 4.498 -26.786 1.00 1.14 C ATOM 1054 C ASP A 68 -23.989 4.790 -25.811 1.00 0.87 C ATOM 1055 O ASP A 68 -25.071 5.224 -26.201 1.00 1.00 O ATOM 1056 CB ASP A 68 -23.120 5.090 -28.192 1.00 1.59 C ATOM 1057 CG ASP A 68 -24.315 4.442 -28.900 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -24.253 3.232 -29.206 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -25.333 5.128 -29.124 1.00 2.62 O ATOM 0 H ASP A 68 -23.392 2.481 -27.061 1.00 0.90 H new ATOM 0 HA ASP A 68 -21.948 4.989 -26.401 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -23.300 6.161 -28.098 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -22.231 4.970 -28.812 1.00 1.59 H new ATOM 1064 N TYR A 69 -23.726 4.561 -24.523 1.00 0.81 N ATOM 1065 CA TYR A 69 -24.716 4.805 -23.456 1.00 0.69 C ATOM 1066 C TYR A 69 -24.712 6.284 -23.032 1.00 0.97 C ATOM 1067 O TYR A 69 -25.675 6.787 -22.447 1.00 1.47 O ATOM 1068 CB TYR A 69 -24.412 3.877 -22.266 1.00 0.58 C ATOM 1069 CG TYR A 69 -25.272 4.130 -21.039 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.642 4.314 -21.162 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -24.683 4.187 -19.782 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -27.415 4.554 -20.039 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -25.461 4.426 -18.661 1.00 0.64 C ATOM 1074 CZ TYR A 69 -26.822 4.610 -18.795 1.00 0.76 C ATOM 1075 OH TYR A 69 -27.593 4.851 -17.682 1.00 0.97 O ATOM 0 H TYR A 69 -22.832 4.205 -24.186 1.00 0.81 H new ATOM 0 HA TYR A 69 -25.716 4.583 -23.830 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -24.547 2.843 -22.583 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -23.364 3.991 -21.990 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -27.106 4.270 -22.136 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -23.617 4.045 -19.679 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -28.481 4.697 -20.137 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -25.003 4.468 -17.684 1.00 0.64 H new ATOM 0 HH TYR A 69 -27.657 4.034 -17.145 1.00 0.97 H new ATOM 1173 N HIS A 74 -17.875 2.028 -24.593 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.414 0.660 -24.302 1.00 0.38 C ATOM 1175 C HIS A 74 -17.985 0.150 -22.974 1.00 0.30 C ATOM 1176 O HIS A 74 -17.240 -0.289 -22.091 1.00 0.37 O ATOM 1177 CB HIS A 74 -15.877 0.600 -24.296 1.00 0.64 C ATOM 1178 CG HIS A 74 -15.261 1.076 -25.585 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -14.526 2.231 -25.684 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -15.294 0.575 -26.849 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -14.134 2.437 -26.917 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -14.585 1.441 -27.662 1.00 1.53 N ATOM 0 HA HIS A 74 -17.782 0.006 -25.092 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.499 1.208 -23.474 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -15.560 -0.426 -24.106 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -15.785 -0.335 -27.162 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -13.546 3.273 -27.264 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -14.435 1.331 -28.665 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.313 0.215 -22.845 1.00 0.26 N ATOM 1191 CA VAL A 75 -20.014 -0.232 -21.643 1.00 0.23 C ATOM 1192 C VAL A 75 -20.879 -1.445 -21.983 1.00 0.22 C ATOM 1193 O VAL A 75 -21.320 -1.602 -23.121 1.00 0.26 O ATOM 1194 CB VAL A 75 -20.889 0.917 -21.103 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.512 0.561 -19.749 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.076 2.209 -20.974 1.00 0.31 C ATOM 0 H VAL A 75 -19.930 0.579 -23.571 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.293 -0.516 -20.877 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.694 1.073 -21.822 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.122 1.394 -19.399 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.137 -0.326 -19.858 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -20.721 0.361 -19.026 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.715 3.005 -20.591 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.245 2.049 -20.287 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.688 2.494 -21.952 1.00 0.31 H new ATOM 1206 N PHE A 76 -21.134 -2.297 -21.002 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.972 -3.475 -21.208 1.00 0.23 C ATOM 1208 C PHE A 76 -22.855 -3.693 -19.984 1.00 0.22 C ATOM 1209 O PHE A 76 -22.419 -3.529 -18.842 1.00 0.27 O ATOM 1210 CB PHE A 76 -21.130 -4.721 -21.531 1.00 0.26 C ATOM 1211 CG PHE A 76 -20.062 -5.059 -20.513 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -18.796 -4.502 -20.618 1.00 0.26 C ATOM 1213 CD2 PHE A 76 -20.339 -5.952 -19.490 1.00 0.27 C ATOM 1214 CE1 PHE A 76 -17.810 -4.839 -19.705 1.00 0.28 C ATOM 1215 CE2 PHE A 76 -19.356 -6.285 -18.573 1.00 0.29 C ATOM 1216 CZ PHE A 76 -18.090 -5.730 -18.680 1.00 0.29 C ATOM 0 H PHE A 76 -20.774 -2.197 -20.053 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.612 -3.302 -22.074 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.799 -5.576 -21.630 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.653 -4.576 -22.500 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -18.578 -3.804 -21.413 1.00 0.26 H new ATOM 0 HD2 PHE A 76 -21.323 -6.389 -19.408 1.00 0.27 H new ATOM 0 HE1 PHE A 76 -16.824 -4.408 -19.792 1.00 0.28 H new ATOM 0 HE2 PHE A 76 -19.576 -6.978 -17.774 1.00 0.29 H new ATOM 0 HZ PHE A 76 -17.323 -5.991 -17.966 1.00 0.29 H new ATOM 1226 N LYS A 77 -24.106 -4.042 -20.246 1.00 0.23 N ATOM 1227 CA LYS A 77 -25.100 -4.277 -19.206 1.00 0.28 C ATOM 1228 C LYS A 77 -25.058 -5.733 -18.762 1.00 0.31 C ATOM 1229 O LYS A 77 -25.386 -6.638 -19.535 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.492 -3.924 -19.742 1.00 0.36 C ATOM 1231 CG LYS A 77 -27.555 -3.954 -18.636 1.00 1.20 C ATOM 1232 CD LYS A 77 -28.640 -2.902 -18.867 1.00 1.33 C ATOM 1233 CE LYS A 77 -29.558 -3.284 -20.035 1.00 1.76 C ATOM 1234 NZ LYS A 77 -30.501 -4.377 -19.669 1.00 1.95 N ATOM 0 H LYS A 77 -24.464 -4.171 -21.192 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.878 -3.647 -18.345 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.466 -2.933 -20.194 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.767 -4.626 -20.529 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -28.010 -4.944 -18.595 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -27.080 -3.781 -17.670 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -29.233 -2.786 -17.960 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -28.175 -1.937 -19.070 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -30.124 -2.408 -20.353 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -28.952 -3.598 -20.885 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -30.367 -5.182 -20.314 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -30.316 -4.682 -18.692 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -31.479 -4.032 -19.745 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.659 -5.944 -17.516 1.00 0.23 N ATOM 1249 CA LEU A 78 -24.571 -7.275 -16.922 1.00 0.24 C ATOM 1250 C LEU A 78 -25.819 -7.537 -16.089 1.00 0.29 C ATOM 1251 O LEU A 78 -26.054 -6.865 -15.084 1.00 0.36 O ATOM 1252 CB LEU A 78 -23.314 -7.387 -16.046 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.307 -8.381 -16.625 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -21.146 -8.582 -15.655 1.00 0.86 C ATOM 1255 CD2 LEU A 78 -22.972 -9.724 -16.943 1.00 0.30 C ATOM 0 H LEU A 78 -24.385 -5.193 -16.883 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.502 -8.019 -17.715 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -22.846 -6.407 -15.954 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -23.598 -7.700 -15.041 1.00 0.30 H new ATOM 0 HG LEU A 78 -21.923 -7.967 -17.557 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -20.436 -9.292 -16.079 1.00 0.86 H new ATOM 0 HD12 LEU A 78 -20.647 -7.629 -15.483 1.00 0.86 H new ATOM 0 HD13 LEU A 78 -21.525 -8.969 -14.709 1.00 0.86 H new ATOM 0 HD21 LEU A 78 -22.230 -10.409 -17.353 1.00 0.30 H new ATOM 0 HD22 LEU A 78 -23.392 -10.147 -16.030 1.00 0.30 H new ATOM 0 HD23 LEU A 78 -23.768 -9.572 -17.672 1.00 0.30 H new ATOM 1267 N ARG A 79 -26.608 -8.515 -16.513 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.840 -8.889 -15.824 1.00 0.40 C ATOM 1269 C ARG A 79 -27.689 -10.283 -15.226 1.00 0.45 C ATOM 1270 O ARG A 79 -27.655 -11.283 -15.944 1.00 0.51 O ATOM 1271 CB ARG A 79 -29.020 -8.837 -16.809 1.00 0.50 C ATOM 1272 CG ARG A 79 -30.361 -9.167 -16.129 1.00 1.11 C ATOM 1273 CD ARG A 79 -31.172 -10.178 -16.946 1.00 1.51 C ATOM 1274 NE ARG A 79 -32.060 -9.499 -17.902 1.00 1.91 N ATOM 1275 CZ ARG A 79 -31.593 -8.919 -19.003 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -31.040 -7.719 -18.929 1.00 2.99 N ATOM 1277 NH2 ARG A 79 -31.726 -9.519 -20.178 1.00 2.93 N ATOM 0 H ARG A 79 -26.414 -9.073 -17.344 1.00 0.31 H new ATOM 0 HA ARG A 79 -28.037 -8.187 -15.014 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -29.075 -7.844 -17.255 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.844 -9.542 -17.622 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -30.176 -9.568 -15.133 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -30.940 -8.252 -16.002 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -30.495 -10.842 -17.483 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -31.764 -10.801 -16.275 1.00 1.51 H new ATOM 0 HE ARG A 79 -33.062 -9.472 -17.715 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -30.973 -7.243 -18.029 1.00 2.99 H new ATOM 0 HH12 ARG A 79 -30.680 -7.270 -19.771 1.00 2.99 H new ATOM 0 HH21 ARG A 79 -32.187 -10.427 -20.238 1.00 2.93 H new ATOM 0 HH22 ARG A 79 -31.367 -9.073 -21.022 1.00 2.93 H new ATOM 1291 N LEU A 80 -27.601 -10.338 -13.904 1.00 0.54 N ATOM 1292 CA LEU A 80 -27.465 -11.600 -13.181 1.00 0.68 C ATOM 1293 C LEU A 80 -28.828 -12.264 -13.022 1.00 0.84 C ATOM 1294 O LEU A 80 -29.862 -11.587 -13.030 1.00 1.06 O ATOM 1295 CB LEU A 80 -26.865 -11.352 -11.792 1.00 0.82 C ATOM 1296 CG LEU A 80 -25.467 -10.724 -11.862 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -24.853 -10.631 -10.467 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -24.552 -11.520 -12.789 1.00 1.26 C ATOM 0 H LEU A 80 -27.622 -9.514 -13.303 1.00 0.54 H new ATOM 0 HA LEU A 80 -26.805 -12.253 -13.752 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -27.527 -10.697 -11.225 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -26.810 -12.296 -11.249 1.00 0.82 H new ATOM 0 HG LEU A 80 -25.571 -9.718 -12.269 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -23.862 -10.183 -10.535 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -25.487 -10.014 -9.831 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -24.771 -11.630 -10.038 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -23.568 -11.052 -12.819 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -24.457 -12.541 -12.418 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -24.977 -11.537 -13.793 1.00 1.26 H new ATOM 1310 N SER A 81 -28.832 -13.585 -12.846 1.00 1.01 N ATOM 1311 CA SER A 81 -30.075 -14.342 -12.650 1.00 1.23 C ATOM 1312 C SER A 81 -30.556 -14.205 -11.196 1.00 1.40 C ATOM 1313 O SER A 81 -31.021 -15.167 -10.583 1.00 1.92 O ATOM 1314 CB SER A 81 -29.851 -15.815 -13.014 1.00 1.52 C ATOM 1315 OG SER A 81 -29.672 -15.958 -14.419 1.00 2.18 O ATOM 0 H SER A 81 -27.988 -14.157 -12.835 1.00 1.01 H new ATOM 0 HA SER A 81 -30.848 -13.937 -13.304 1.00 1.23 H new ATOM 0 HB2 SER A 81 -28.975 -16.197 -12.489 1.00 1.52 H new ATOM 0 HB3 SER A 81 -30.703 -16.411 -12.687 1.00 1.52 H new ATOM 0 HG SER A 81 -28.762 -15.687 -14.662 1.00 2.18 H new ATOM 1321 N ASP A 82 -30.433 -12.987 -10.659 1.00 1.33 N ATOM 1322 CA ASP A 82 -30.846 -12.670 -9.290 1.00 1.76 C ATOM 1323 C ASP A 82 -31.354 -11.222 -9.225 1.00 1.31 C ATOM 1324 O ASP A 82 -31.254 -10.566 -8.192 1.00 1.74 O ATOM 1325 CB ASP A 82 -29.658 -12.872 -8.323 1.00 2.76 C ATOM 1326 CG ASP A 82 -30.143 -13.103 -6.892 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -31.091 -13.892 -6.705 1.00 3.77 O ATOM 1328 OD2 ASP A 82 -29.567 -12.511 -5.955 1.00 3.98 O ATOM 0 H ASP A 82 -30.043 -12.191 -11.164 1.00 1.33 H new ATOM 0 HA ASP A 82 -31.654 -13.338 -8.991 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -29.061 -13.724 -8.649 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -29.009 -11.997 -8.353 1.00 2.76 H new ATOM 1333 N GLY A 83 -31.915 -10.733 -10.339 1.00 1.09 N ATOM 1334 CA GLY A 83 -32.457 -9.370 -10.426 1.00 1.53 C ATOM 1335 C GLY A 83 -31.365 -8.306 -10.602 1.00 1.31 C ATOM 1336 O GLY A 83 -31.560 -7.327 -11.343 1.00 1.88 O ATOM 0 H GLY A 83 -32.006 -11.269 -11.202 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -33.152 -9.313 -11.264 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -33.028 -9.152 -9.523 1.00 1.53 H new ATOM 1340 N ASN A 84 -30.231 -8.489 -9.898 1.00 0.93 N ATOM 1341 CA ASN A 84 -29.108 -7.533 -9.932 1.00 0.71 C ATOM 1342 C ASN A 84 -28.634 -7.225 -11.361 1.00 0.62 C ATOM 1343 O ASN A 84 -28.243 -8.127 -12.109 1.00 0.65 O ATOM 1344 CB ASN A 84 -27.929 -8.062 -9.105 1.00 0.84 C ATOM 1345 CG ASN A 84 -28.276 -8.090 -7.614 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -29.343 -8.561 -7.226 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -27.375 -7.607 -6.776 1.00 1.32 N ATOM 0 H ASN A 84 -30.069 -9.296 -9.295 1.00 0.93 H new ATOM 0 HA ASN A 84 -29.478 -6.603 -9.500 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -27.666 -9.065 -9.440 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -27.054 -7.432 -9.267 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -27.555 -7.618 -5.772 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -26.500 -7.224 -7.133 1.00 1.32 H new ATOM 1354 N GLU A 85 -28.668 -5.936 -11.707 1.00 0.59 N ATOM 1355 CA GLU A 85 -28.247 -5.432 -13.017 1.00 0.55 C ATOM 1356 C GLU A 85 -27.175 -4.344 -12.826 1.00 0.47 C ATOM 1357 O GLU A 85 -27.418 -3.328 -12.163 1.00 0.60 O ATOM 1358 CB GLU A 85 -29.465 -4.868 -13.777 1.00 0.70 C ATOM 1359 CG GLU A 85 -30.132 -5.942 -14.644 1.00 1.16 C ATOM 1360 CD GLU A 85 -30.978 -5.303 -15.742 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -31.834 -4.454 -15.421 1.00 1.39 O ATOM 1362 OE2 GLU A 85 -30.790 -5.647 -16.931 1.00 1.43 O ATOM 0 H GLU A 85 -28.993 -5.203 -11.077 1.00 0.59 H new ATOM 0 HA GLU A 85 -27.822 -6.246 -13.604 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -30.189 -4.473 -13.064 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -29.149 -4.035 -14.406 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -29.370 -6.580 -15.091 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -30.758 -6.581 -14.022 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.988 -4.568 -13.402 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.862 -3.622 -13.295 1.00 0.31 C ATOM 1371 C TYR A 86 -24.344 -3.219 -14.679 1.00 0.29 C ATOM 1372 O TYR A 86 -24.311 -4.036 -15.599 1.00 0.40 O ATOM 1373 CB TYR A 86 -23.690 -4.261 -12.526 1.00 0.37 C ATOM 1374 CG TYR A 86 -24.046 -4.815 -11.164 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -24.053 -3.984 -10.055 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -24.395 -6.147 -11.025 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -24.404 -4.485 -8.814 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -24.742 -6.647 -9.782 1.00 0.62 C ATOM 1379 CZ TYR A 86 -24.646 -5.837 -8.666 1.00 0.63 C ATOM 1380 OH TYR A 86 -25.090 -6.319 -7.451 1.00 0.77 O ATOM 0 H TYR A 86 -25.778 -5.401 -13.952 1.00 0.33 H new ATOM 0 HA TYR A 86 -25.233 -2.744 -12.767 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -23.274 -5.066 -13.132 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.905 -3.515 -12.404 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -23.784 -2.943 -10.160 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -24.397 -6.797 -11.887 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -24.488 -3.822 -7.965 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -25.086 -7.666 -9.684 1.00 0.62 H new ATOM 0 HH TYR A 86 -25.616 -5.628 -6.997 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.875 -1.975 -14.792 1.00 0.24 N ATOM 1391 CA LEU A 87 -23.273 -1.472 -16.030 1.00 0.23 C ATOM 1392 C LEU A 87 -21.762 -1.486 -15.830 1.00 0.22 C ATOM 1393 O LEU A 87 -21.253 -0.845 -14.901 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.724 -0.035 -16.358 1.00 0.26 C ATOM 1395 CG LEU A 87 -25.246 0.137 -16.376 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.612 1.486 -16.992 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.935 -0.995 -17.138 1.00 0.38 C ATOM 0 H LEU A 87 -23.901 -1.292 -14.035 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.587 -2.104 -16.861 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -23.297 0.648 -15.623 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -23.322 0.251 -17.330 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.597 0.102 -15.345 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.696 1.600 -17.001 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -25.168 2.288 -16.402 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -25.234 1.534 -18.013 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -27.013 -0.837 -17.128 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.580 -1.009 -18.168 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.704 -1.948 -16.662 1.00 0.38 H new ATOM 1409 N PHE A 88 -21.052 -2.221 -16.679 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.594 -2.327 -16.585 1.00 0.19 C ATOM 1411 C PHE A 88 -18.946 -1.684 -17.803 1.00 0.20 C ATOM 1412 O PHE A 88 -19.346 -1.944 -18.935 1.00 0.27 O ATOM 1413 CB PHE A 88 -19.178 -3.793 -16.481 1.00 0.20 C ATOM 1414 CG PHE A 88 -19.311 -4.350 -15.080 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -18.326 -4.099 -14.137 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -20.411 -5.117 -14.739 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -18.442 -4.613 -12.858 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -20.528 -5.631 -13.460 1.00 0.25 C ATOM 1419 CZ PHE A 88 -19.545 -5.381 -12.520 1.00 0.22 C ATOM 0 H PHE A 88 -21.462 -2.756 -17.445 1.00 0.18 H new ATOM 0 HA PHE A 88 -19.260 -1.804 -15.689 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.789 -4.387 -17.161 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -18.144 -3.895 -16.810 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.466 -3.501 -14.402 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -21.179 -5.315 -15.472 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.674 -4.416 -12.124 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -21.388 -6.228 -13.195 1.00 0.25 H new ATOM 0 HZ PHE A 88 -19.637 -5.784 -11.522 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.951 -0.836 -17.561 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.239 -0.133 -18.633 1.00 0.26 C ATOM 1431 C GLN A 89 -15.779 -0.582 -18.695 1.00 0.22 C ATOM 1432 O GLN A 89 -15.082 -0.610 -17.673 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.336 1.391 -18.409 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.136 2.149 -19.002 1.00 0.52 C ATOM 1435 CD GLN A 89 -16.389 3.652 -18.992 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -16.365 4.287 -17.939 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -16.639 4.224 -20.161 1.00 1.63 N ATOM 0 H GLN A 89 -17.614 -0.615 -16.624 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.704 -0.378 -19.588 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.256 1.764 -18.859 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -17.399 1.595 -17.340 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -15.237 1.923 -18.428 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -15.956 1.812 -20.023 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -16.650 3.662 -21.012 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -16.821 5.227 -20.210 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.322 -0.899 -19.908 1.00 0.22 N ATOM 1447 CA ALA A 90 -13.936 -1.322 -20.158 1.00 0.24 C ATOM 1448 C ALA A 90 -13.124 -0.153 -20.728 1.00 0.27 C ATOM 1449 O ALA A 90 -13.686 0.872 -21.131 1.00 0.32 O ATOM 1450 CB ALA A 90 -13.907 -2.495 -21.140 1.00 0.29 C ATOM 0 H ALA A 90 -15.900 -0.871 -20.748 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.495 -1.639 -19.213 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -12.875 -2.797 -21.315 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.464 -3.333 -20.722 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.361 -2.191 -22.083 1.00 0.29 H new ATOM 1456 N LYS A 91 -11.800 -0.308 -20.766 1.00 0.35 N ATOM 1457 CA LYS A 91 -10.911 0.737 -21.289 1.00 0.44 C ATOM 1458 C LYS A 91 -10.831 0.671 -22.819 1.00 0.49 C ATOM 1459 O LYS A 91 -10.952 1.693 -23.494 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.516 0.586 -20.675 1.00 0.65 C ATOM 1461 CG LYS A 91 -9.548 0.744 -19.147 1.00 1.26 C ATOM 1462 CD LYS A 91 -9.027 -0.506 -18.424 1.00 1.43 C ATOM 1463 CE LYS A 91 -7.557 -0.772 -18.761 1.00 1.86 C ATOM 1464 NZ LYS A 91 -7.410 -1.757 -19.869 1.00 2.29 N ATOM 0 H LYS A 91 -11.317 -1.146 -20.442 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.319 1.710 -21.015 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.109 -0.392 -20.931 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -8.847 1.332 -21.104 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -8.945 1.606 -18.860 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -10.569 0.948 -18.826 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -9.138 -0.379 -17.347 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -9.629 -1.370 -18.707 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -7.074 0.164 -19.041 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -7.043 -1.143 -17.875 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -7.026 -2.647 -19.493 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -8.339 -1.935 -20.300 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -6.762 -1.377 -20.588 1.00 2.29 H new ATOM 1478 N ASP A 92 -10.631 -0.535 -23.354 1.00 0.49 N ATOM 1479 CA ASP A 92 -10.532 -0.748 -24.811 1.00 0.66 C ATOM 1480 C ASP A 92 -11.713 -1.566 -25.328 1.00 0.59 C ATOM 1481 O ASP A 92 -12.328 -2.339 -24.587 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.226 -1.486 -25.153 1.00 0.84 C ATOM 1483 CG ASP A 92 -8.887 -1.333 -26.635 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -8.362 -0.271 -27.023 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -9.158 -2.274 -27.410 1.00 2.01 O ATOM 0 H ASP A 92 -10.533 -1.387 -22.802 1.00 0.49 H new ATOM 0 HA ASP A 92 -10.541 0.231 -25.290 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -8.411 -1.091 -24.546 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.325 -2.543 -24.905 1.00 0.84 H new ATOM 1490 N ASP A 93 -11.991 -1.408 -26.621 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.067 -2.135 -27.305 1.00 0.63 C ATOM 1492 C ASP A 93 -12.777 -3.643 -27.290 1.00 0.49 C ATOM 1493 O ASP A 93 -13.684 -4.462 -27.100 1.00 0.54 O ATOM 1494 CB ASP A 93 -13.185 -1.636 -28.757 1.00 0.83 C ATOM 1495 CG ASP A 93 -14.399 -2.245 -29.457 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -14.282 -3.368 -29.994 1.00 2.13 O ATOM 1497 OD2 ASP A 93 -15.468 -1.603 -29.481 1.00 2.21 O ATOM 0 H ASP A 93 -11.476 -0.771 -27.229 1.00 0.62 H new ATOM 0 HA ASP A 93 -14.008 -1.954 -26.785 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -13.266 -0.549 -28.765 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -12.279 -1.892 -29.307 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.497 -4.001 -27.464 1.00 0.41 N ATOM 1503 CA GLU A 94 -11.076 -5.404 -27.454 1.00 0.41 C ATOM 1504 C GLU A 94 -11.211 -5.974 -26.042 1.00 0.36 C ATOM 1505 O GLU A 94 -11.683 -7.096 -25.854 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.627 -5.534 -27.942 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.363 -6.923 -28.539 1.00 1.21 C ATOM 1508 CD GLU A 94 -7.939 -7.372 -28.247 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -7.623 -7.653 -27.075 1.00 2.43 O ATOM 1510 OE2 GLU A 94 -7.131 -7.449 -29.193 1.00 2.59 O ATOM 0 H GLU A 94 -10.738 -3.337 -27.613 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.718 -5.969 -28.130 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -9.423 -4.769 -28.691 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -8.944 -5.357 -27.111 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -10.069 -7.643 -28.124 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -9.528 -6.899 -29.616 1.00 1.21 H new ATOM 1517 N GLU A 95 -10.818 -5.172 -25.047 1.00 0.31 N ATOM 1518 CA GLU A 95 -10.914 -5.567 -23.640 1.00 0.29 C ATOM 1519 C GLU A 95 -12.383 -5.757 -23.252 1.00 0.24 C ATOM 1520 O GLU A 95 -12.718 -6.685 -22.519 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.264 -4.513 -22.744 1.00 0.33 C ATOM 1522 CG GLU A 95 -9.843 -5.125 -21.405 1.00 0.42 C ATOM 1523 CD GLU A 95 -9.463 -4.049 -20.401 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -9.763 -2.868 -20.661 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -8.872 -4.377 -19.349 1.00 1.30 O ATOM 0 H GLU A 95 -10.429 -4.241 -25.193 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.385 -6.510 -23.503 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.394 -4.089 -23.245 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -10.963 -3.694 -22.572 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -10.659 -5.727 -21.005 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -8.998 -5.796 -21.559 1.00 0.42 H new ATOM 1532 N MET A 96 -13.253 -4.883 -23.776 1.00 0.24 N ATOM 1533 CA MET A 96 -14.697 -4.957 -23.520 1.00 0.22 C ATOM 1534 C MET A 96 -15.228 -6.326 -23.953 1.00 0.22 C ATOM 1535 O MET A 96 -15.902 -7.009 -23.183 1.00 0.23 O ATOM 1536 CB MET A 96 -15.431 -3.842 -24.278 1.00 0.26 C ATOM 1537 CG MET A 96 -16.866 -3.663 -23.774 1.00 0.39 C ATOM 1538 SD MET A 96 -17.926 -2.838 -24.975 1.00 0.94 S ATOM 1539 CE MET A 96 -17.835 -3.978 -26.368 1.00 0.77 C ATOM 0 H MET A 96 -12.979 -4.111 -24.384 1.00 0.24 H new ATOM 0 HA MET A 96 -14.875 -4.825 -22.453 1.00 0.22 H new ATOM 0 HB2 MET A 96 -14.886 -2.905 -24.164 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.446 -4.075 -25.343 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.287 -4.639 -23.534 1.00 0.39 H new ATOM 0 HG3 MET A 96 -16.853 -3.085 -22.850 1.00 0.39 H new ATOM 0 HE1 MET A 96 -18.751 -3.910 -26.954 1.00 0.77 H new ATOM 0 HE2 MET A 96 -16.983 -3.718 -26.996 1.00 0.77 H new ATOM 0 HE3 MET A 96 -17.716 -4.996 -25.998 1.00 0.77 H new ATOM 1549 N ASN A 97 -14.888 -6.736 -25.183 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.308 -8.045 -25.714 1.00 0.28 C ATOM 1551 C ASN A 97 -14.709 -9.183 -24.870 1.00 0.26 C ATOM 1552 O ASN A 97 -15.399 -10.149 -24.543 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.875 -8.194 -27.184 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.636 -9.339 -27.869 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -16.858 -9.439 -27.763 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -14.915 -10.209 -28.566 1.00 1.24 N ATOM 0 H ASN A 97 -14.325 -6.183 -25.829 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.395 -8.104 -25.662 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -15.058 -7.261 -27.717 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.803 -8.384 -27.233 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -15.373 -10.991 -29.035 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -13.904 -10.096 -28.633 1.00 1.24 H new ATOM 1563 N THR A 98 -13.427 -9.051 -24.504 1.00 0.25 N ATOM 1564 CA THR A 98 -12.731 -10.058 -23.682 1.00 0.27 C ATOM 1565 C THR A 98 -13.425 -10.230 -22.319 1.00 0.23 C ATOM 1566 O THR A 98 -13.566 -11.351 -21.821 1.00 0.27 O ATOM 1567 CB THR A 98 -11.261 -9.651 -23.477 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.678 -9.243 -24.714 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.447 -10.802 -22.887 1.00 0.39 C ATOM 0 H THR A 98 -12.846 -8.254 -24.764 1.00 0.25 H new ATOM 0 HA THR A 98 -12.768 -11.012 -24.208 1.00 0.27 H new ATOM 0 HB THR A 98 -11.245 -8.816 -22.776 1.00 0.31 H new ATOM 0 HG1 THR A 98 -10.823 -8.282 -24.843 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.413 -10.485 -22.753 1.00 0.39 H new ATOM 0 HG22 THR A 98 -10.867 -11.087 -21.922 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.480 -11.656 -23.564 1.00 0.39 H new ATOM 1577 N TRP A 99 -13.862 -9.112 -21.729 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.548 -9.121 -20.427 1.00 0.20 C ATOM 1579 C TRP A 99 -15.925 -9.784 -20.545 1.00 0.21 C ATOM 1580 O TRP A 99 -16.280 -10.638 -19.731 1.00 0.24 O ATOM 1581 CB TRP A 99 -14.700 -7.685 -19.893 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.573 -7.263 -18.996 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -12.719 -6.209 -19.189 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.180 -7.882 -17.750 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -11.837 -6.162 -18.147 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.087 -7.161 -17.256 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.644 -8.977 -17.010 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.464 -7.498 -16.069 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -13.021 -9.316 -15.816 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.939 -8.584 -15.353 1.00 0.29 C ATOM 0 H TRP A 99 -13.753 -8.182 -22.134 1.00 0.20 H new ATOM 0 HA TRP A 99 -13.943 -9.698 -19.727 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -14.762 -6.996 -20.735 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.640 -7.606 -19.346 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -12.740 -5.528 -20.027 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.092 -5.472 -18.050 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.483 -9.556 -17.367 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.623 -6.925 -15.707 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.383 -10.157 -15.243 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.462 -8.863 -14.425 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.694 -9.393 -21.568 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.035 -9.953 -21.808 1.00 0.24 C ATOM 1603 C ILE A 100 -17.949 -11.476 -22.015 1.00 0.28 C ATOM 1604 O ILE A 100 -18.739 -12.234 -21.446 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.677 -9.262 -23.025 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -18.990 -7.796 -22.701 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -19.951 -9.990 -23.469 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.531 -7.052 -23.921 1.00 0.29 C ATOM 0 H ILE A 100 -16.411 -8.687 -22.248 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.663 -9.770 -20.936 1.00 0.24 H new ATOM 0 HB ILE A 100 -17.963 -9.299 -23.848 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -19.720 -7.750 -21.893 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.087 -7.301 -22.344 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.381 -9.478 -24.330 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.707 -11.017 -23.742 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.672 -9.993 -22.651 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -19.741 -6.017 -23.652 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -18.790 -7.076 -24.720 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.448 -7.532 -24.262 1.00 0.29 H new ATOM 1620 N GLN A 101 -16.965 -11.917 -22.806 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.748 -13.349 -23.068 1.00 0.35 C ATOM 1622 C GLN A 101 -16.299 -14.071 -21.786 1.00 0.36 C ATOM 1623 O GLN A 101 -16.738 -15.188 -21.507 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.699 -13.532 -24.168 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.253 -13.120 -25.535 1.00 0.48 C ATOM 1626 CD GLN A 101 -15.222 -13.383 -26.630 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -14.018 -13.254 -26.406 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -15.688 -13.749 -27.812 1.00 1.76 N ATOM 0 H GLN A 101 -16.302 -11.302 -23.279 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.690 -13.785 -23.401 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -14.817 -12.936 -23.936 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.380 -14.574 -24.201 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -17.167 -13.676 -25.746 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -16.518 -12.063 -25.523 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -16.693 -13.844 -27.957 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -15.042 -13.936 -28.579 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.437 -13.412 -20.999 1.00 0.32 N ATOM 1638 CA ALA A 102 -14.938 -13.965 -19.730 1.00 0.37 C ATOM 1639 C ALA A 102 -16.094 -14.139 -18.740 1.00 0.38 C ATOM 1640 O ALA A 102 -16.191 -15.150 -18.048 1.00 0.48 O ATOM 1641 CB ALA A 102 -13.882 -13.032 -19.129 1.00 0.38 C ATOM 0 H ALA A 102 -15.068 -12.487 -21.221 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.487 -14.937 -19.927 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.519 -13.450 -18.190 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.050 -12.928 -19.825 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.325 -12.053 -18.943 1.00 0.38 H new ATOM 1647 N ILE A 103 -16.977 -13.140 -18.703 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.159 -13.135 -17.831 1.00 0.38 C ATOM 1649 C ILE A 103 -19.136 -14.253 -18.235 1.00 0.47 C ATOM 1650 O ILE A 103 -19.761 -14.881 -17.380 1.00 0.55 O ATOM 1651 CB ILE A 103 -18.822 -11.746 -17.918 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -18.158 -10.785 -16.923 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.332 -11.800 -17.674 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.200 -9.341 -17.418 1.00 0.35 C ATOM 0 H ILE A 103 -16.894 -12.304 -19.281 1.00 0.33 H new ATOM 0 HA ILE A 103 -17.865 -13.328 -16.799 1.00 0.38 H new ATOM 0 HB ILE A 103 -18.676 -11.381 -18.935 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.662 -10.854 -15.959 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -17.122 -11.085 -16.763 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.748 -10.795 -17.747 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -20.799 -12.441 -18.422 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.526 -12.202 -16.679 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.720 -8.691 -16.686 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -17.673 -9.267 -18.369 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.237 -9.032 -17.552 1.00 0.35 H new ATOM 1666 N SER A 104 -19.249 -14.499 -19.544 1.00 0.53 N ATOM 1667 CA SER A 104 -20.133 -15.547 -20.074 1.00 0.66 C ATOM 1668 C SER A 104 -19.581 -16.941 -19.730 1.00 0.72 C ATOM 1669 O SER A 104 -20.338 -17.884 -19.487 1.00 0.89 O ATOM 1670 CB SER A 104 -20.275 -15.394 -21.592 1.00 0.81 C ATOM 1671 OG SER A 104 -20.632 -14.058 -21.935 1.00 1.05 O ATOM 0 H SER A 104 -18.737 -13.985 -20.261 1.00 0.53 H new ATOM 0 HA SER A 104 -21.115 -15.441 -19.614 1.00 0.66 H new ATOM 0 HB2 SER A 104 -19.337 -15.661 -22.078 1.00 0.81 H new ATOM 0 HB3 SER A 104 -21.033 -16.084 -21.962 1.00 0.81 H new ATOM 0 HG SER A 104 -19.835 -13.489 -21.907 1.00 1.05 H new ATOM 1677 N SER A 105 -18.251 -17.050 -19.698 1.00 0.80 N ATOM 1678 CA SER A 105 -17.564 -18.302 -19.370 1.00 1.13 C ATOM 1679 C SER A 105 -17.566 -18.525 -17.851 1.00 1.23 C ATOM 1680 O SER A 105 -17.920 -19.605 -17.373 1.00 1.61 O ATOM 1681 CB SER A 105 -16.125 -18.248 -19.900 1.00 1.48 C ATOM 1682 OG SER A 105 -16.106 -17.835 -21.263 1.00 1.63 O ATOM 0 H SER A 105 -17.620 -16.274 -19.898 1.00 0.80 H new ATOM 0 HA SER A 105 -18.087 -19.135 -19.840 1.00 1.13 H new ATOM 0 HB2 SER A 105 -15.536 -17.557 -19.297 1.00 1.48 H new ATOM 0 HB3 SER A 105 -15.660 -19.229 -19.806 1.00 1.48 H new ATOM 0 HG SER A 105 -16.227 -16.864 -21.312 1.00 1.63 H new ATOM 1688 N ALA A 106 -17.180 -17.482 -17.106 1.00 1.29 N ATOM 1689 CA ALA A 106 -17.132 -17.510 -15.638 1.00 1.59 C ATOM 1690 C ALA A 106 -16.097 -18.522 -15.132 1.00 2.40 C ATOM 1691 O ALA A 106 -16.288 -19.084 -14.035 1.00 3.00 O ATOM 1692 CB ALA A 106 -18.524 -17.817 -15.071 1.00 1.90 C ATOM 1693 OXT ALA A 106 -15.083 -18.749 -15.826 1.00 3.05 O ATOM 0 H ALA A 106 -16.890 -16.590 -17.506 1.00 1.29 H new ATOM 0 HA ALA A 106 -16.822 -16.526 -15.287 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -18.477 -17.835 -13.982 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -19.225 -17.046 -15.391 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -18.860 -18.788 -15.436 1.00 1.90 H new