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 84 ASN : amide:sc= 1.06 K(o=2,f=1.4) USER MOD Set 1.2: A 86 TYR OH : rot 15:sc= 0.9 USER MOD Single : A 6 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 8 LYS NZ :NH3+ -147:sc= 1.22 (180deg=0.341) USER MOD Single : A 9 HIS :FLIP no HD1:sc= -0.208 F(o=-1.1,f=-0.21) USER MOD Single : A 22 SER OG : rot 32:sc= 0.0156 USER MOD Single : A 24 HIS : no HE2:sc= 0.306 K(o=0.31,f=-4.4!) USER MOD Single : A 25 ASN : amide:sc=-0.00469 X(o=-0.0047,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -74:sc= 0.9 USER MOD Single : A 31 ASN : amide:sc= -0.0348 X(o=-0.035,f=0) USER MOD Single : A 32 ASN : amide:sc=-0.000627 K(o=-0.00063,f=-0.87) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl -152:sc=-0.00276 (180deg=-1.76) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0249) USER MOD Single : A 42 LYS NZ :NH3+ 166:sc= -0.108 (180deg=-0.398) USER MOD Single : A 43 SER OG : rot 95:sc= 0.91 USER MOD Single : A 46 SER OG : rot 81:sc= 0.181 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) 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+ -170:sc=-0.00906 (180deg=-0.143) USER MOD Single : A 63 CYS SG : rot 12:sc= 0.465 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -1.59 X(o=-1.6,f=-1.4) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 91 LYS NZ :NH3+ 171:sc= 1.92 (180deg=1.61) USER MOD Single : A 96 MET CE :methyl -175:sc= -0.359 (180deg=-0.405) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 69:sc= 0.262 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 96:sc= 1.28 USER MOD Single : A 105 SER OG : rot 96:sc= 1.31 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -8.188 -10.745 -15.312 1.00 0.51 N ATOM 21 CA GLU A 2 -8.480 -9.687 -14.354 1.00 0.37 C ATOM 22 C GLU A 2 -7.961 -8.335 -14.854 1.00 0.34 C ATOM 23 O GLU A 2 -7.092 -8.276 -15.734 1.00 0.48 O ATOM 24 CB GLU A 2 -7.866 -10.058 -13.008 1.00 0.53 C ATOM 25 CG GLU A 2 -6.345 -10.079 -13.061 1.00 0.96 C ATOM 26 CD GLU A 2 -5.826 -11.471 -13.410 1.00 1.61 C ATOM 27 OE1 GLU A 2 -5.757 -12.331 -12.511 1.00 2.09 O ATOM 28 OE2 GLU A 2 -5.486 -11.707 -14.587 1.00 2.16 O ATOM 0 HA GLU A 2 -9.559 -9.587 -14.238 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -8.192 -9.344 -12.252 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -8.232 -11.038 -12.701 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -5.994 -9.361 -13.802 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -5.940 -9.768 -12.098 1.00 0.96 H new ATOM 35 N GLY A 3 -8.495 -7.253 -14.295 1.00 0.25 N ATOM 36 CA GLY A 3 -8.085 -5.902 -14.677 1.00 0.28 C ATOM 37 C GLY A 3 -9.015 -4.850 -14.080 1.00 0.22 C ATOM 38 O GLY A 3 -10.027 -5.179 -13.444 1.00 0.22 O ATOM 0 H GLY A 3 -9.215 -7.284 -13.573 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -7.064 -5.721 -14.341 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.083 -5.814 -15.763 1.00 0.28 H new ATOM 42 N PHE A 4 -8.672 -3.578 -14.303 1.00 0.24 N ATOM 43 CA PHE A 4 -9.473 -2.448 -13.814 1.00 0.21 C ATOM 44 C PHE A 4 -10.729 -2.307 -14.671 1.00 0.22 C ATOM 45 O PHE A 4 -10.714 -2.614 -15.863 1.00 0.27 O ATOM 46 CB PHE A 4 -8.674 -1.140 -13.876 1.00 0.23 C ATOM 47 CG PHE A 4 -7.837 -0.875 -12.644 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.440 -0.473 -11.462 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.462 -1.048 -12.694 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.669 -0.244 -10.334 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.694 -0.817 -11.566 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.312 -0.365 -10.387 1.00 0.41 C ATOM 0 H PHE A 4 -7.839 -3.302 -14.823 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.744 -2.643 -12.776 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.021 -1.165 -14.748 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.365 -0.310 -14.019 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.511 -0.338 -11.421 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -5.990 -1.363 -13.613 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -8.147 0.032 -9.406 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.627 -0.983 -11.591 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.713 -0.114 -9.524 1.00 0.41 H new ATOM 62 N LEU A 5 -11.804 -1.843 -14.063 1.00 0.19 N ATOM 63 CA LEU A 5 -13.077 -1.665 -14.761 1.00 0.21 C ATOM 64 C LEU A 5 -13.866 -0.515 -14.137 1.00 0.20 C ATOM 65 O LEU A 5 -13.845 -0.316 -12.920 1.00 0.21 O ATOM 66 CB LEU A 5 -13.915 -2.955 -14.660 1.00 0.23 C ATOM 67 CG LEU A 5 -13.817 -3.825 -15.914 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.579 -5.136 -15.707 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.360 -3.083 -17.133 1.00 0.31 C ATOM 0 H LEU A 5 -11.827 -1.578 -13.078 1.00 0.19 H new ATOM 0 HA LEU A 5 -12.868 -1.439 -15.807 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.583 -3.532 -13.796 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -14.958 -2.692 -14.486 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.766 -4.052 -16.094 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.502 -5.747 -16.606 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.150 -5.677 -14.863 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.628 -4.919 -15.504 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.280 -3.721 -18.013 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.406 -2.825 -16.966 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.782 -2.172 -17.292 1.00 0.31 H new ATOM 81 N ASN A 6 -14.612 0.194 -14.975 1.00 0.22 N ATOM 82 CA ASN A 6 -15.483 1.280 -14.518 1.00 0.23 C ATOM 83 C ASN A 6 -16.807 0.621 -14.154 1.00 0.22 C ATOM 84 O ASN A 6 -17.467 0.059 -15.024 1.00 0.26 O ATOM 85 CB ASN A 6 -15.654 2.329 -15.635 1.00 0.28 C ATOM 86 CG ASN A 6 -15.339 3.746 -15.146 1.00 0.72 C ATOM 87 OD1 ASN A 6 -15.980 4.261 -14.228 1.00 1.49 O ATOM 88 ND2 ASN A 6 -14.360 4.383 -15.773 1.00 1.24 N ATOM 0 H ASN A 6 -14.634 0.038 -15.983 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.068 1.811 -13.661 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -14.999 2.080 -16.470 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.676 2.294 -16.011 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -14.114 5.334 -15.500 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -13.853 3.922 -16.528 1.00 1.24 H new ATOM 95 N ARG A 7 -17.147 0.612 -12.869 1.00 0.23 N ATOM 96 CA ARG A 7 -18.355 -0.063 -12.385 1.00 0.24 C ATOM 97 C ARG A 7 -19.415 0.923 -11.893 1.00 0.25 C ATOM 98 O ARG A 7 -19.111 1.903 -11.217 1.00 0.32 O ATOM 99 CB ARG A 7 -17.962 -1.016 -11.253 1.00 0.28 C ATOM 100 CG ARG A 7 -19.145 -1.874 -10.791 1.00 0.34 C ATOM 101 CD ARG A 7 -18.731 -2.864 -9.696 1.00 0.54 C ATOM 102 NE ARG A 7 -19.911 -3.503 -9.102 1.00 0.95 N ATOM 103 CZ ARG A 7 -20.177 -3.438 -7.796 1.00 1.16 C ATOM 104 NH1 ARG A 7 -20.436 -2.268 -7.233 1.00 1.71 N ATOM 105 NH2 ARG A 7 -20.155 -4.539 -7.057 1.00 1.46 N ATOM 0 H ARG A 7 -16.601 1.067 -12.137 1.00 0.23 H new ATOM 0 HA ARG A 7 -18.796 -0.612 -13.217 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.153 -1.664 -11.589 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -17.580 -0.440 -10.410 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -19.939 -1.228 -10.417 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.553 -2.421 -11.641 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -18.072 -3.624 -10.116 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -18.165 -2.344 -8.923 1.00 0.54 H new ATOM 0 HE ARG A 7 -20.551 -4.015 -9.709 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -20.432 -1.418 -7.797 1.00 1.71 H new ATOM 0 HH12 ARG A 7 -20.640 -2.216 -6.235 1.00 1.71 H new ATOM 0 HH21 ARG A 7 -19.934 -5.437 -7.487 1.00 1.46 H new ATOM 0 HH22 ARG A 7 -20.359 -4.487 -6.059 1.00 1.46 H new ATOM 119 N LYS A 8 -20.668 0.611 -12.220 1.00 0.27 N ATOM 120 CA LYS A 8 -21.836 1.397 -11.819 1.00 0.29 C ATOM 121 C LYS A 8 -22.893 0.434 -11.287 1.00 0.29 C ATOM 122 O LYS A 8 -23.217 -0.554 -11.954 1.00 0.38 O ATOM 123 CB LYS A 8 -22.400 2.164 -13.020 1.00 0.36 C ATOM 124 CG LYS A 8 -23.514 3.143 -12.620 1.00 0.37 C ATOM 125 CD LYS A 8 -24.339 3.595 -13.838 1.00 0.50 C ATOM 126 CE LYS A 8 -25.790 3.083 -13.761 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.753 4.146 -13.356 1.00 1.02 N ATOM 0 H LYS A 8 -20.905 -0.208 -12.780 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.552 2.119 -11.053 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.595 2.714 -13.507 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.789 1.455 -13.751 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -24.171 2.668 -11.891 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -23.075 4.014 -12.134 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.339 4.684 -13.895 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -23.871 3.228 -14.752 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.082 2.684 -14.732 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.843 2.259 -13.049 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.522 3.723 -12.797 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -26.261 4.860 -12.783 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -27.150 4.597 -14.205 1.00 1.02 H new ATOM 141 N HIS A 9 -23.431 0.710 -10.100 1.00 0.43 N ATOM 142 CA HIS A 9 -24.459 -0.152 -9.502 1.00 0.52 C ATOM 143 C HIS A 9 -25.845 0.479 -9.664 1.00 0.58 C ATOM 144 O HIS A 9 -26.147 1.525 -9.093 1.00 0.73 O ATOM 145 CB HIS A 9 -24.121 -0.489 -8.026 1.00 0.68 C ATOM 146 CG HIS A 9 -24.148 0.659 -7.046 1.00 0.88 C ATOM 147 ND1 HIS A 9 -24.088 2.008 -7.204 1.00 1.21 N flip ATOM 148 CD2 HIS A 9 -24.236 0.471 -5.689 1.00 1.22 C flip ATOM 149 CE1 HIS A 9 -24.139 2.584 -5.946 1.00 1.69 C flip ATOM 150 NE2 HIS A 9 -24.231 1.614 -5.052 1.00 1.75 N flip ATOM 0 H HIS A 9 -23.176 1.519 -9.533 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.475 -1.102 -10.035 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -24.823 -1.248 -7.681 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -23.128 -0.937 -7.998 1.00 0.68 H new ATOM 0 HD2 HIS A 9 -24.301 -0.495 -5.210 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -24.109 3.642 -5.732 1.00 1.69 H new ATOM 0 HE2 HIS A 9 -24.288 1.736 -4.041 1.00 1.75 H new ATOM 158 N GLU A 10 -26.677 -0.167 -10.479 1.00 0.60 N ATOM 159 CA GLU A 10 -28.036 0.307 -10.760 1.00 0.73 C ATOM 160 C GLU A 10 -28.998 -0.184 -9.681 1.00 0.83 C ATOM 161 O GLU A 10 -29.864 0.561 -9.221 1.00 1.00 O ATOM 162 CB GLU A 10 -28.492 -0.193 -12.143 1.00 0.79 C ATOM 163 CG GLU A 10 -29.641 0.654 -12.702 1.00 1.28 C ATOM 164 CD GLU A 10 -29.104 1.925 -13.346 1.00 1.19 C ATOM 165 OE1 GLU A 10 -28.767 1.893 -14.544 1.00 1.72 O ATOM 166 OE2 GLU A 10 -29.001 2.954 -12.646 1.00 1.52 O ATOM 0 H GLU A 10 -26.432 -1.031 -10.963 1.00 0.60 H new ATOM 0 HA GLU A 10 -28.036 1.397 -10.760 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.650 -0.167 -12.835 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -28.810 -1.233 -12.067 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -30.202 0.076 -13.437 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -30.334 0.910 -11.901 1.00 1.28 H new ATOM 173 N TRP A 11 -28.847 -1.444 -9.289 1.00 0.82 N ATOM 174 CA TRP A 11 -29.704 -2.050 -8.277 1.00 0.96 C ATOM 175 C TRP A 11 -29.008 -3.279 -7.680 1.00 0.94 C ATOM 176 O TRP A 11 -28.613 -4.195 -8.402 1.00 0.84 O ATOM 177 CB TRP A 11 -31.052 -2.418 -8.929 1.00 1.08 C ATOM 178 CG TRP A 11 -31.984 -3.222 -8.059 1.00 1.26 C ATOM 179 CD1 TRP A 11 -32.745 -2.771 -7.014 1.00 1.54 C ATOM 180 CD2 TRP A 11 -32.256 -4.632 -8.178 1.00 1.26 C ATOM 181 NE1 TRP A 11 -33.449 -3.824 -6.500 1.00 1.67 N ATOM 182 CE2 TRP A 11 -33.177 -4.969 -7.182 1.00 1.51 C ATOM 183 CE3 TRP A 11 -31.804 -5.636 -9.031 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -33.649 -6.263 -7.027 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -32.271 -6.929 -8.886 1.00 1.35 C ATOM 186 CH2 TRP A 11 -33.184 -7.241 -7.893 1.00 1.53 C ATOM 0 H TRP A 11 -28.133 -2.070 -9.660 1.00 0.82 H new ATOM 0 HA TRP A 11 -29.892 -1.351 -7.462 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -31.558 -1.499 -9.225 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -30.855 -2.981 -9.841 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -32.783 -1.753 -6.656 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -34.092 -3.760 -5.711 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -31.088 -5.404 -9.806 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -34.361 -6.503 -6.251 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -31.921 -7.703 -9.553 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -33.538 -8.256 -7.792 1.00 1.53 H new ATOM 353 N SER A 22 -21.809 7.068 -7.781 1.00 1.32 N ATOM 354 CA SER A 22 -22.119 6.799 -9.188 1.00 0.74 C ATOM 355 C SER A 22 -20.835 6.691 -10.023 1.00 0.68 C ATOM 356 O SER A 22 -20.077 7.657 -10.137 1.00 1.69 O ATOM 357 CB SER A 22 -23.013 7.914 -9.744 1.00 1.62 C ATOM 358 OG SER A 22 -24.283 7.912 -9.102 1.00 1.86 O ATOM 0 HA SER A 22 -22.646 5.847 -9.249 1.00 0.74 H new ATOM 0 HB2 SER A 22 -22.529 8.880 -9.600 1.00 1.62 H new ATOM 0 HB3 SER A 22 -23.143 7.780 -10.818 1.00 1.62 H new ATOM 0 HG SER A 22 -24.181 7.606 -8.177 1.00 1.86 H new ATOM 364 N TRP A 23 -20.610 5.500 -10.593 1.00 0.69 N ATOM 365 CA TRP A 23 -19.435 5.202 -11.429 1.00 0.41 C ATOM 366 C TRP A 23 -18.152 5.227 -10.589 1.00 0.40 C ATOM 367 O TRP A 23 -17.597 6.291 -10.299 1.00 0.55 O ATOM 368 CB TRP A 23 -19.347 6.164 -12.638 1.00 0.43 C ATOM 369 CG TRP A 23 -20.296 5.774 -13.736 1.00 0.40 C ATOM 370 CD1 TRP A 23 -21.442 6.418 -14.117 1.00 0.45 C ATOM 371 CD2 TRP A 23 -20.173 4.625 -14.596 1.00 0.34 C ATOM 372 NE1 TRP A 23 -22.021 5.716 -15.137 1.00 0.42 N ATOM 373 CE2 TRP A 23 -21.272 4.623 -15.457 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.234 3.600 -14.711 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.451 3.633 -16.413 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.404 2.614 -15.665 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.504 2.629 -16.511 1.00 0.31 C ATOM 0 H TRP A 23 -21.243 4.707 -10.487 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.549 4.195 -11.830 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.569 7.180 -12.310 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -18.328 6.169 -13.024 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.825 7.330 -13.684 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.894 5.975 -15.596 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.376 3.577 -14.056 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.311 3.646 -17.066 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.673 1.824 -15.753 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.622 1.851 -17.251 1.00 0.31 H new ATOM 388 N HIS A 24 -17.702 4.036 -10.197 1.00 0.37 N ATOM 389 CA HIS A 24 -16.495 3.853 -9.378 1.00 0.45 C ATOM 390 C HIS A 24 -15.514 2.920 -10.092 1.00 0.36 C ATOM 391 O HIS A 24 -15.894 1.851 -10.577 1.00 0.34 O ATOM 392 CB HIS A 24 -16.855 3.291 -7.979 1.00 0.61 C ATOM 393 CG HIS A 24 -17.973 2.275 -7.974 1.00 1.18 C ATOM 394 ND1 HIS A 24 -19.302 2.620 -8.009 1.00 2.08 N ATOM 395 CD2 HIS A 24 -17.967 0.917 -7.944 1.00 1.66 C ATOM 396 CE1 HIS A 24 -20.066 1.556 -8.004 1.00 2.98 C ATOM 397 NE2 HIS A 24 -19.283 0.487 -7.965 1.00 2.74 N ATOM 0 H HIS A 24 -18.166 3.160 -10.439 1.00 0.37 H new ATOM 0 HA HIS A 24 -16.022 4.825 -9.239 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -15.965 2.834 -7.547 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -17.134 4.121 -7.330 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -19.649 3.579 -8.035 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -17.092 0.285 -7.910 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -21.146 1.551 -8.028 1.00 2.98 H new ATOM 405 N ASN A 25 -14.249 3.338 -10.144 1.00 0.37 N ATOM 406 CA ASN A 25 -13.183 2.559 -10.788 1.00 0.35 C ATOM 407 C ASN A 25 -12.719 1.459 -9.827 1.00 0.34 C ATOM 408 O ASN A 25 -12.120 1.747 -8.787 1.00 0.55 O ATOM 409 CB ASN A 25 -12.014 3.489 -11.169 1.00 0.44 C ATOM 410 CG ASN A 25 -11.160 2.876 -12.287 1.00 0.99 C ATOM 411 OD1 ASN A 25 -11.564 2.856 -13.450 1.00 1.71 O ATOM 412 ND2 ASN A 25 -9.980 2.382 -11.942 1.00 1.49 N ATOM 0 H ASN A 25 -13.932 4.221 -9.744 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.557 2.095 -11.701 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -12.404 4.454 -11.493 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.393 3.674 -10.293 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -9.374 1.968 -12.650 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -9.678 2.416 -10.968 1.00 1.49 H new ATOM 419 N VAL A 26 -13.031 0.207 -10.160 1.00 0.22 N ATOM 420 CA VAL A 26 -12.686 -0.946 -9.316 1.00 0.21 C ATOM 421 C VAL A 26 -11.938 -2.015 -10.120 1.00 0.18 C ATOM 422 O VAL A 26 -11.939 -2.002 -11.351 1.00 0.23 O ATOM 423 CB VAL A 26 -13.984 -1.520 -8.709 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.784 -2.328 -9.738 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.693 -2.369 -7.472 1.00 0.31 C ATOM 0 H VAL A 26 -13.527 -0.040 -11.016 1.00 0.22 H new ATOM 0 HA VAL A 26 -12.020 -0.623 -8.516 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.594 -0.670 -8.404 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.690 -2.715 -9.272 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -15.053 -1.685 -10.576 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.178 -3.159 -10.099 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.628 -2.758 -7.069 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.043 -3.200 -7.746 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.200 -1.756 -6.717 1.00 0.31 H new ATOM 435 N TYR A 27 -11.313 -2.948 -9.408 1.00 0.16 N ATOM 436 CA TYR A 27 -10.569 -4.050 -10.022 1.00 0.16 C ATOM 437 C TYR A 27 -11.417 -5.320 -9.949 1.00 0.19 C ATOM 438 O TYR A 27 -11.944 -5.656 -8.887 1.00 0.34 O ATOM 439 CB TYR A 27 -9.239 -4.240 -9.281 1.00 0.17 C ATOM 440 CG TYR A 27 -8.179 -4.925 -10.113 1.00 0.18 C ATOM 441 CD1 TYR A 27 -8.075 -6.306 -10.107 1.00 0.26 C ATOM 442 CD2 TYR A 27 -7.317 -4.174 -10.892 1.00 0.28 C ATOM 443 CE1 TYR A 27 -7.109 -6.934 -10.874 1.00 0.30 C ATOM 444 CE2 TYR A 27 -6.350 -4.802 -11.659 1.00 0.33 C ATOM 445 CZ TYR A 27 -6.229 -6.177 -11.621 1.00 0.29 C ATOM 446 OH TYR A 27 -5.286 -6.800 -12.408 1.00 0.37 O ATOM 0 H TYR A 27 -11.306 -2.964 -8.388 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.354 -3.828 -11.067 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.867 -3.266 -8.963 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.415 -4.825 -8.378 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -8.749 -6.894 -9.502 1.00 0.26 H new ATOM 0 HD2 TYR A 27 -7.398 -3.097 -10.902 1.00 0.28 H new ATOM 0 HE1 TYR A 27 -7.044 -8.012 -10.888 1.00 0.30 H new ATOM 0 HE2 TYR A 27 -5.692 -4.218 -12.285 1.00 0.33 H new ATOM 0 HH TYR A 27 -4.747 -6.124 -12.869 1.00 0.37 H new ATOM 456 N CYS A 28 -11.567 -6.011 -11.074 1.00 0.16 N ATOM 457 CA CYS A 28 -12.374 -7.233 -11.137 1.00 0.19 C ATOM 458 C CYS A 28 -11.511 -8.431 -11.537 1.00 0.19 C ATOM 459 O CYS A 28 -10.724 -8.350 -12.483 1.00 0.23 O ATOM 460 CB CYS A 28 -13.512 -7.047 -12.143 1.00 0.23 C ATOM 461 SG CYS A 28 -14.465 -5.545 -11.841 1.00 0.34 S ATOM 0 H CYS A 28 -11.139 -5.747 -11.961 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.792 -7.427 -10.149 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -13.099 -7.015 -13.151 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.176 -7.910 -12.098 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.220 -5.713 -10.796 1.00 0.34 H new ATOM 467 N VAL A 29 -11.668 -9.539 -10.813 1.00 0.21 N ATOM 468 CA VAL A 29 -10.924 -10.776 -11.073 1.00 0.24 C ATOM 469 C VAL A 29 -11.918 -11.931 -11.230 1.00 0.26 C ATOM 470 O VAL A 29 -12.643 -12.256 -10.290 1.00 0.38 O ATOM 471 CB VAL A 29 -9.956 -11.072 -9.907 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.248 -12.415 -10.110 1.00 0.37 C ATOM 473 CG2 VAL A 29 -8.917 -9.956 -9.742 1.00 0.33 C ATOM 0 H VAL A 29 -12.315 -9.606 -10.028 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.341 -10.663 -11.987 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.554 -11.122 -8.997 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.572 -12.600 -9.275 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -9.989 -13.213 -10.160 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.679 -12.389 -11.039 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.252 -10.197 -8.912 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.334 -9.863 -10.659 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.425 -9.013 -9.538 1.00 0.33 H new ATOM 483 N ILE A 30 -11.953 -12.551 -12.412 1.00 0.28 N ATOM 484 CA ILE A 30 -12.861 -13.676 -12.677 1.00 0.32 C ATOM 485 C ILE A 30 -12.191 -14.987 -12.260 1.00 0.35 C ATOM 486 O ILE A 30 -10.987 -15.161 -12.454 1.00 0.44 O ATOM 487 CB ILE A 30 -13.241 -13.721 -14.165 1.00 0.40 C ATOM 488 CG1 ILE A 30 -13.730 -12.344 -14.632 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.314 -14.785 -14.419 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.232 -12.365 -16.077 1.00 0.57 C ATOM 0 H ILE A 30 -11.363 -12.294 -13.204 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.773 -13.540 -12.095 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.353 -13.988 -14.738 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.532 -12.004 -13.976 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -12.918 -11.623 -14.542 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.568 -14.800 -15.479 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -13.934 -15.763 -14.123 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.204 -14.550 -13.836 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.567 -11.367 -16.360 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -13.424 -12.678 -16.738 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -15.063 -13.065 -16.163 1.00 0.57 H new ATOM 502 N ASN A 31 -12.972 -15.894 -11.679 1.00 0.46 N ATOM 503 CA ASN A 31 -12.465 -17.185 -11.219 1.00 0.58 C ATOM 504 C ASN A 31 -13.480 -18.295 -11.514 1.00 0.71 C ATOM 505 O ASN A 31 -14.257 -18.693 -10.646 1.00 1.20 O ATOM 506 CB ASN A 31 -12.149 -17.115 -9.710 1.00 0.73 C ATOM 507 CG ASN A 31 -11.204 -18.247 -9.295 1.00 0.93 C ATOM 508 OD1 ASN A 31 -10.014 -18.023 -9.057 1.00 1.27 O ATOM 509 ND2 ASN A 31 -11.730 -19.458 -9.195 1.00 1.47 N ATOM 0 H ASN A 31 -13.969 -15.757 -11.514 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.546 -17.419 -11.757 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -11.695 -16.152 -9.474 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -13.074 -17.180 -9.137 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -11.147 -20.246 -8.913 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -12.719 -19.603 -9.400 1.00 1.47 H new ATOM 516 N ASN A 32 -13.439 -18.803 -12.745 1.00 0.85 N ATOM 517 CA ASN A 32 -14.310 -19.900 -13.212 1.00 1.00 C ATOM 518 C ASN A 32 -15.809 -19.531 -13.204 1.00 1.00 C ATOM 519 O ASN A 32 -16.331 -19.049 -14.210 1.00 1.97 O ATOM 520 CB ASN A 32 -14.047 -21.181 -12.387 1.00 1.24 C ATOM 521 CG ASN A 32 -14.733 -22.400 -13.022 1.00 1.73 C ATOM 522 OD1 ASN A 32 -14.865 -22.490 -14.244 1.00 2.06 O ATOM 523 ND2 ASN A 32 -15.163 -23.339 -12.196 1.00 2.52 N ATOM 0 H ASN A 32 -12.795 -18.466 -13.461 1.00 0.85 H new ATOM 0 HA ASN A 32 -14.053 -20.087 -14.255 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -12.974 -21.359 -12.318 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -14.413 -21.043 -11.370 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -15.621 -24.172 -12.565 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -15.036 -23.230 -11.190 1.00 2.52 H new ATOM 530 N GLN A 33 -16.499 -19.804 -12.087 1.00 0.75 N ATOM 531 CA GLN A 33 -17.950 -19.550 -11.964 1.00 0.67 C ATOM 532 C GLN A 33 -18.270 -18.325 -11.092 1.00 0.56 C ATOM 533 O GLN A 33 -19.464 -18.022 -10.868 1.00 0.71 O ATOM 534 CB GLN A 33 -18.637 -20.794 -11.377 1.00 0.83 C ATOM 535 CG GLN A 33 -18.036 -21.199 -10.024 1.00 1.46 C ATOM 536 CD GLN A 33 -18.901 -22.265 -9.352 1.00 1.85 C ATOM 537 OE1 GLN A 33 -18.811 -23.445 -9.683 1.00 2.11 O ATOM 538 NE2 GLN A 33 -19.745 -21.854 -8.419 1.00 2.67 N ATOM 0 H GLN A 33 -16.076 -20.203 -11.249 1.00 0.75 H new ATOM 0 HA GLN A 33 -18.327 -19.337 -12.964 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -19.702 -20.597 -11.256 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -18.544 -21.624 -12.078 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -17.025 -21.580 -10.168 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -17.958 -20.325 -9.378 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -19.790 -20.865 -8.172 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -20.350 -22.526 -7.947 1.00 2.67 H new ATOM 547 N GLU A 34 -17.230 -17.627 -10.594 1.00 0.53 N ATOM 548 CA GLU A 34 -17.430 -16.448 -9.748 1.00 0.49 C ATOM 549 C GLU A 34 -16.416 -15.365 -10.090 1.00 0.45 C ATOM 550 O GLU A 34 -15.495 -15.586 -10.876 1.00 0.64 O ATOM 551 CB GLU A 34 -17.321 -16.843 -8.265 1.00 0.61 C ATOM 552 CG GLU A 34 -15.921 -17.358 -7.901 1.00 1.25 C ATOM 553 CD GLU A 34 -15.979 -18.176 -6.618 1.00 1.42 C ATOM 554 OE1 GLU A 34 -16.047 -17.582 -5.525 1.00 1.79 O ATOM 555 OE2 GLU A 34 -15.961 -19.419 -6.701 1.00 1.89 O ATOM 0 H GLU A 34 -16.252 -17.862 -10.765 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.427 -16.048 -9.933 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -17.562 -15.981 -7.643 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -18.059 -17.614 -8.041 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -15.528 -17.969 -8.713 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -15.238 -16.518 -7.775 1.00 1.25 H new ATOM 562 N MET A 35 -16.589 -14.200 -9.487 1.00 0.36 N ATOM 563 CA MET A 35 -15.697 -13.066 -9.695 1.00 0.35 C ATOM 564 C MET A 35 -15.497 -12.339 -8.369 1.00 0.32 C ATOM 565 O MET A 35 -16.425 -12.236 -7.563 1.00 0.42 O ATOM 566 CB MET A 35 -16.265 -12.111 -10.758 1.00 0.41 C ATOM 567 CG MET A 35 -17.586 -11.474 -10.320 1.00 0.43 C ATOM 568 SD MET A 35 -18.366 -10.514 -11.634 1.00 0.60 S ATOM 569 CE MET A 35 -17.172 -9.184 -11.855 1.00 1.25 C ATOM 0 H MET A 35 -17.353 -14.012 -8.838 1.00 0.36 H new ATOM 0 HA MET A 35 -14.735 -13.428 -10.058 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.537 -11.327 -10.965 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.418 -12.657 -11.689 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.271 -12.256 -9.992 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.406 -10.827 -9.461 1.00 0.43 H new ATOM 0 HE1 MET A 35 -17.683 -8.293 -12.220 1.00 1.25 H new ATOM 0 HE2 MET A 35 -16.694 -8.962 -10.901 1.00 1.25 H new ATOM 0 HE3 MET A 35 -16.416 -9.490 -12.578 1.00 1.25 H new ATOM 579 N GLY A 36 -14.285 -11.849 -8.152 1.00 0.27 N ATOM 580 CA GLY A 36 -13.932 -11.133 -6.928 1.00 0.29 C ATOM 581 C GLY A 36 -13.608 -9.674 -7.235 1.00 0.25 C ATOM 582 O GLY A 36 -12.848 -9.382 -8.166 1.00 0.28 O ATOM 0 H GLY A 36 -13.517 -11.935 -8.817 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.757 -11.186 -6.218 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.074 -11.610 -6.456 1.00 0.29 H new ATOM 586 N PHE A 37 -14.174 -8.766 -6.443 1.00 0.24 N ATOM 587 CA PHE A 37 -13.938 -7.330 -6.603 1.00 0.25 C ATOM 588 C PHE A 37 -12.814 -6.892 -5.660 1.00 0.25 C ATOM 589 O PHE A 37 -12.818 -7.238 -4.479 1.00 0.40 O ATOM 590 CB PHE A 37 -15.217 -6.543 -6.303 1.00 0.30 C ATOM 591 CG PHE A 37 -16.278 -6.705 -7.375 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.119 -6.081 -8.603 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.409 -7.478 -7.140 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.082 -6.224 -9.587 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.374 -7.619 -8.129 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.208 -6.994 -9.351 1.00 0.33 C ATOM 0 H PHE A 37 -14.805 -9.001 -5.677 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.645 -7.128 -7.633 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.623 -6.871 -5.346 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -14.971 -5.486 -6.200 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.241 -5.481 -8.792 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.538 -7.970 -6.187 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -16.955 -5.734 -10.541 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.254 -8.217 -7.943 1.00 0.45 H new ATOM 0 HZ PHE A 37 -18.957 -7.106 -10.121 1.00 0.33 H new ATOM 606 N TYR A 38 -11.855 -6.142 -6.194 1.00 0.20 N ATOM 607 CA TYR A 38 -10.708 -5.659 -5.418 1.00 0.21 C ATOM 608 C TYR A 38 -10.415 -4.197 -5.746 1.00 0.21 C ATOM 609 O TYR A 38 -11.047 -3.598 -6.623 1.00 0.23 O ATOM 610 CB TYR A 38 -9.472 -6.515 -5.724 1.00 0.23 C ATOM 611 CG TYR A 38 -9.651 -7.975 -5.368 1.00 0.27 C ATOM 612 CD1 TYR A 38 -9.456 -8.406 -4.066 1.00 0.42 C ATOM 613 CD2 TYR A 38 -10.014 -8.885 -6.345 1.00 0.27 C ATOM 614 CE1 TYR A 38 -9.623 -9.742 -3.745 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.180 -10.221 -6.024 1.00 0.35 C ATOM 616 CZ TYR A 38 -9.972 -10.641 -4.713 1.00 0.44 C ATOM 617 OH TYR A 38 -10.153 -11.967 -4.400 1.00 0.55 O ATOM 0 H TYR A 38 -11.847 -5.851 -7.172 1.00 0.20 H new ATOM 0 HA TYR A 38 -10.950 -5.738 -4.358 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.236 -6.433 -6.785 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.618 -6.117 -5.176 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -9.173 -7.699 -3.300 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -10.168 -8.552 -7.361 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -9.477 -10.074 -2.728 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.468 -10.932 -6.784 1.00 0.35 H new ATOM 0 HH TYR A 38 -10.399 -12.463 -5.208 1.00 0.55 H new ATOM 627 N LYS A 39 -9.446 -3.622 -5.036 1.00 0.25 N ATOM 628 CA LYS A 39 -9.057 -2.223 -5.239 1.00 0.29 C ATOM 629 C LYS A 39 -8.144 -2.079 -6.464 1.00 0.28 C ATOM 630 O LYS A 39 -8.361 -1.206 -7.307 1.00 0.33 O ATOM 631 CB LYS A 39 -8.353 -1.687 -3.986 1.00 0.36 C ATOM 632 CG LYS A 39 -8.264 -0.158 -3.998 1.00 0.70 C ATOM 633 CD LYS A 39 -9.584 0.483 -3.561 1.00 1.15 C ATOM 634 CE LYS A 39 -9.456 2.003 -3.427 1.00 1.82 C ATOM 635 NZ LYS A 39 -9.166 2.653 -4.740 1.00 2.51 N ATOM 0 H LYS A 39 -8.913 -4.103 -4.312 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.959 -1.638 -5.419 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.893 -2.013 -3.097 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.350 -2.110 -3.923 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -7.463 0.166 -3.334 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -8.006 0.185 -5.000 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -10.362 0.245 -4.286 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -9.897 0.058 -2.607 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -10.379 2.411 -3.016 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -8.660 2.240 -2.721 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -9.154 3.686 -4.621 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -8.240 2.334 -5.088 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -9.903 2.393 -5.426 1.00 2.51 H new ATOM 649 N ASP A 40 -7.121 -2.933 -6.549 1.00 0.28 N ATOM 650 CA ASP A 40 -6.158 -2.911 -7.660 1.00 0.32 C ATOM 651 C ASP A 40 -5.517 -4.292 -7.857 1.00 0.33 C ATOM 652 O ASP A 40 -6.013 -5.304 -7.353 1.00 0.32 O ATOM 653 CB ASP A 40 -5.071 -1.837 -7.415 1.00 0.38 C ATOM 654 CG ASP A 40 -4.051 -2.271 -6.355 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.451 -2.873 -5.336 1.00 0.84 O ATOM 656 OD2 ASP A 40 -2.844 -2.031 -6.550 1.00 0.94 O ATOM 0 H ASP A 40 -6.935 -3.657 -5.855 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.698 -2.655 -8.572 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.552 -1.628 -8.351 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.546 -0.908 -7.100 1.00 0.38 H new ATOM 661 N ALA A 41 -4.399 -4.310 -8.589 1.00 0.40 N ATOM 662 CA ALA A 41 -3.651 -5.542 -8.875 1.00 0.45 C ATOM 663 C ALA A 41 -2.994 -6.107 -7.608 1.00 0.45 C ATOM 664 O ALA A 41 -2.935 -7.324 -7.427 1.00 0.47 O ATOM 665 CB ALA A 41 -2.581 -5.262 -9.935 1.00 0.55 C ATOM 0 H ALA A 41 -3.986 -3.473 -9.000 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.354 -6.286 -9.249 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.028 -6.178 -10.145 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.058 -4.909 -10.849 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -1.894 -4.500 -9.566 1.00 0.55 H new ATOM 671 N LYS A 42 -2.513 -5.218 -6.730 1.00 0.46 N ATOM 672 CA LYS A 42 -1.870 -5.631 -5.473 1.00 0.48 C ATOM 673 C LYS A 42 -2.909 -6.218 -4.513 1.00 0.43 C ATOM 674 O LYS A 42 -2.694 -7.277 -3.922 1.00 0.47 O ATOM 675 CB LYS A 42 -1.168 -4.438 -4.818 1.00 0.54 C ATOM 676 CG LYS A 42 0.012 -3.949 -5.665 1.00 0.77 C ATOM 677 CD LYS A 42 0.867 -2.931 -4.905 1.00 1.12 C ATOM 678 CE LYS A 42 1.554 -3.551 -3.677 1.00 1.96 C ATOM 679 NZ LYS A 42 2.227 -4.843 -4.003 1.00 2.76 N ATOM 0 H LYS A 42 -2.556 -4.208 -6.865 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.127 -6.396 -5.699 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -1.881 -3.625 -4.681 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.814 -4.722 -3.827 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.629 -4.799 -5.955 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.361 -3.498 -6.584 1.00 0.77 H new ATOM 0 HD2 LYS A 42 1.624 -2.522 -5.575 1.00 1.12 H new ATOM 0 HD3 LYS A 42 0.240 -2.098 -4.587 1.00 1.12 H new ATOM 0 HE2 LYS A 42 2.289 -2.850 -3.281 1.00 1.96 H new ATOM 0 HE3 LYS A 42 0.815 -3.715 -2.893 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 2.868 -5.106 -3.227 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 1.510 -5.586 -4.127 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 2.773 -4.738 -4.882 1.00 2.76 H new ATOM 693 N SER A 43 -4.045 -5.528 -4.377 1.00 0.38 N ATOM 694 CA SER A 43 -5.136 -5.974 -3.503 1.00 0.38 C ATOM 695 C SER A 43 -5.725 -7.306 -3.991 1.00 0.39 C ATOM 696 O SER A 43 -6.175 -8.127 -3.189 1.00 0.45 O ATOM 697 CB SER A 43 -6.222 -4.900 -3.437 1.00 0.37 C ATOM 698 OG SER A 43 -5.647 -3.617 -3.220 1.00 1.04 O ATOM 0 H SER A 43 -4.234 -4.652 -4.864 1.00 0.38 H new ATOM 0 HA SER A 43 -4.733 -6.134 -2.503 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.793 -4.896 -4.365 1.00 0.37 H new ATOM 0 HB3 SER A 43 -6.921 -5.131 -2.633 1.00 0.37 H new ATOM 0 HG SER A 43 -5.513 -3.169 -4.081 1.00 1.04 H new ATOM 704 N ALA A 44 -5.696 -7.520 -5.308 1.00 0.37 N ATOM 705 CA ALA A 44 -6.205 -8.753 -5.918 1.00 0.43 C ATOM 706 C ALA A 44 -5.210 -9.905 -5.727 1.00 0.51 C ATOM 707 O ALA A 44 -5.607 -11.034 -5.437 1.00 0.59 O ATOM 708 CB ALA A 44 -6.460 -8.528 -7.412 1.00 0.43 C ATOM 0 H ALA A 44 -5.322 -6.849 -5.979 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.141 -9.020 -5.427 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -6.838 -9.447 -7.859 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.195 -7.733 -7.540 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.529 -8.243 -7.901 1.00 0.43 H new ATOM 714 N ALA A 45 -3.917 -9.604 -5.893 1.00 0.54 N ATOM 715 CA ALA A 45 -2.847 -10.601 -5.747 1.00 0.64 C ATOM 716 C ALA A 45 -2.718 -11.080 -4.296 1.00 0.68 C ATOM 717 O ALA A 45 -2.613 -12.279 -4.043 1.00 0.76 O ATOM 718 CB ALA A 45 -1.518 -10.006 -6.219 1.00 0.69 C ATOM 0 H ALA A 45 -3.583 -8.670 -6.131 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.103 -11.463 -6.362 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -0.728 -10.748 -6.109 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -1.601 -9.716 -7.267 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.278 -9.129 -5.618 1.00 0.69 H new ATOM 724 N SER A 46 -2.722 -10.139 -3.351 1.00 0.65 N ATOM 725 CA SER A 46 -2.603 -10.460 -1.923 1.00 0.73 C ATOM 726 C SER A 46 -3.906 -11.062 -1.374 1.00 0.74 C ATOM 727 O SER A 46 -3.886 -11.833 -0.415 1.00 0.84 O ATOM 728 CB SER A 46 -2.226 -9.198 -1.139 1.00 0.75 C ATOM 729 OG SER A 46 -1.052 -8.606 -1.690 1.00 1.21 O ATOM 0 H SER A 46 -2.807 -9.142 -3.548 1.00 0.65 H new ATOM 0 HA SER A 46 -1.818 -11.207 -1.804 1.00 0.73 H new ATOM 0 HB2 SER A 46 -3.049 -8.484 -1.168 1.00 0.75 H new ATOM 0 HB3 SER A 46 -2.058 -9.449 -0.092 1.00 0.75 H new ATOM 0 HG SER A 46 -1.292 -8.080 -2.481 1.00 1.21 H new ATOM 735 N GLY A 47 -5.035 -10.710 -1.996 1.00 0.70 N ATOM 736 CA GLY A 47 -6.348 -11.217 -1.586 1.00 0.74 C ATOM 737 C GLY A 47 -6.909 -10.418 -0.410 1.00 0.75 C ATOM 738 O GLY A 47 -7.220 -10.980 0.641 1.00 0.88 O ATOM 0 H GLY A 47 -5.065 -10.071 -2.791 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -7.039 -11.164 -2.427 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -6.264 -12.268 -1.308 1.00 0.74 H new ATOM 742 N ILE A 48 -7.042 -9.105 -0.597 1.00 0.67 N ATOM 743 CA ILE A 48 -7.574 -8.214 0.441 1.00 0.72 C ATOM 744 C ILE A 48 -9.075 -8.006 0.209 1.00 0.75 C ATOM 745 O ILE A 48 -9.499 -7.696 -0.905 1.00 0.75 O ATOM 746 CB ILE A 48 -6.808 -6.876 0.411 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.429 -7.054 1.065 1.00 0.78 C ATOM 748 CG2 ILE A 48 -7.587 -5.751 1.107 1.00 0.82 C ATOM 749 CD1 ILE A 48 -4.368 -6.182 0.393 1.00 0.97 C ATOM 0 H ILE A 48 -6.787 -8.630 -1.463 1.00 0.67 H new ATOM 0 HA ILE A 48 -7.439 -8.659 1.427 1.00 0.72 H new ATOM 0 HB ILE A 48 -6.684 -6.585 -0.632 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -5.492 -6.800 2.123 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -5.131 -8.101 1.006 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -7.010 -4.827 1.062 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -8.544 -5.606 0.605 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -7.761 -6.020 2.149 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -3.407 -6.336 0.883 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -4.286 -6.454 -0.659 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -4.654 -5.133 0.475 1.00 0.97 H new ATOM 761 N PRO A 49 -9.908 -8.185 1.258 1.00 0.84 N ATOM 762 CA PRO A 49 -11.373 -8.018 1.148 1.00 0.93 C ATOM 763 C PRO A 49 -11.784 -6.552 0.959 1.00 0.93 C ATOM 764 O PRO A 49 -11.522 -5.706 1.815 1.00 1.08 O ATOM 765 CB PRO A 49 -11.907 -8.593 2.461 1.00 1.07 C ATOM 766 CG PRO A 49 -10.779 -8.478 3.431 1.00 1.06 C ATOM 767 CD PRO A 49 -9.501 -8.556 2.632 1.00 0.92 C ATOM 0 HA PRO A 49 -11.778 -8.523 0.271 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -12.780 -8.039 2.806 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -12.216 -9.631 2.339 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -10.835 -7.537 3.978 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -10.822 -9.279 4.169 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -8.746 -7.873 3.021 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -9.072 -9.558 2.664 1.00 0.92 H new ATOM 775 N TYR A 50 -12.422 -6.273 -0.176 1.00 0.87 N ATOM 776 CA TYR A 50 -12.884 -4.926 -0.527 1.00 0.91 C ATOM 777 C TYR A 50 -14.409 -4.855 -0.448 1.00 1.12 C ATOM 778 O TYR A 50 -15.104 -5.748 -0.937 1.00 1.91 O ATOM 779 CB TYR A 50 -12.418 -4.590 -1.952 1.00 0.92 C ATOM 780 CG TYR A 50 -12.871 -3.228 -2.438 1.00 0.94 C ATOM 781 CD1 TYR A 50 -12.188 -2.089 -2.044 1.00 1.02 C ATOM 782 CD2 TYR A 50 -13.965 -3.117 -3.282 1.00 1.13 C ATOM 783 CE1 TYR A 50 -12.600 -0.846 -2.494 1.00 1.13 C ATOM 784 CE2 TYR A 50 -14.375 -1.872 -3.728 1.00 1.24 C ATOM 785 CZ TYR A 50 -13.689 -0.741 -3.332 1.00 1.17 C ATOM 786 OH TYR A 50 -14.097 0.498 -3.781 1.00 1.34 O ATOM 0 H TYR A 50 -12.635 -6.976 -0.883 1.00 0.87 H new ATOM 0 HA TYR A 50 -12.465 -4.205 0.175 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -11.330 -4.635 -1.988 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -12.792 -5.352 -2.636 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -11.335 -2.170 -1.387 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -14.499 -4.003 -3.592 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -12.067 0.042 -2.188 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -15.229 -1.786 -4.384 1.00 1.24 H new ATOM 0 HH TYR A 50 -14.878 0.394 -4.363 1.00 1.34 H new ATOM 796 N HIS A 51 -14.915 -3.780 0.159 1.00 1.28 N ATOM 797 CA HIS A 51 -16.361 -3.547 0.305 1.00 1.53 C ATOM 798 C HIS A 51 -16.998 -4.566 1.268 1.00 1.61 C ATOM 799 O HIS A 51 -16.307 -5.204 2.067 1.00 2.07 O ATOM 800 CB HIS A 51 -17.047 -3.576 -1.085 1.00 2.01 C ATOM 801 CG HIS A 51 -17.767 -2.301 -1.418 1.00 2.54 C ATOM 802 ND1 HIS A 51 -19.095 -2.245 -1.753 1.00 3.19 N ATOM 803 CD2 HIS A 51 -17.336 -1.016 -1.481 1.00 2.89 C ATOM 804 CE1 HIS A 51 -19.464 -1.013 -2.015 1.00 3.87 C ATOM 805 NE2 HIS A 51 -18.411 -0.229 -1.855 1.00 3.74 N ATOM 0 H HIS A 51 -14.337 -3.044 0.565 1.00 1.28 H new ATOM 0 HA HIS A 51 -16.510 -2.559 0.741 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -16.295 -3.771 -1.850 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -17.755 -4.404 -1.116 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -16.334 -0.670 -1.276 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -20.453 -0.695 -2.309 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -18.394 0.783 -1.985 1.00 3.74 H new ATOM 813 N SER A 52 -18.325 -4.706 1.187 1.00 1.60 N ATOM 814 CA SER A 52 -19.067 -5.640 2.042 1.00 1.96 C ATOM 815 C SER A 52 -18.941 -7.068 1.499 1.00 1.85 C ATOM 816 O SER A 52 -18.435 -7.955 2.186 1.00 2.45 O ATOM 817 CB SER A 52 -20.541 -5.219 2.125 1.00 2.44 C ATOM 818 OG SER A 52 -20.647 -3.862 2.545 1.00 2.65 O ATOM 0 H SER A 52 -18.910 -4.182 0.536 1.00 1.60 H new ATOM 0 HA SER A 52 -18.643 -5.616 3.046 1.00 1.96 H new ATOM 0 HB2 SER A 52 -21.017 -5.343 1.152 1.00 2.44 H new ATOM 0 HB3 SER A 52 -21.072 -5.865 2.824 1.00 2.44 H new ATOM 0 HG SER A 52 -21.592 -3.607 2.592 1.00 2.65 H new ATOM 824 N GLU A 53 -19.379 -7.277 0.253 1.00 1.45 N ATOM 825 CA GLU A 53 -19.295 -8.591 -0.398 1.00 1.37 C ATOM 826 C GLU A 53 -18.202 -8.556 -1.469 1.00 1.08 C ATOM 827 O GLU A 53 -18.286 -7.782 -2.426 1.00 1.24 O ATOM 828 CB GLU A 53 -20.646 -8.987 -1.014 1.00 1.73 C ATOM 829 CG GLU A 53 -21.193 -7.931 -1.994 1.00 2.39 C ATOM 830 CD GLU A 53 -22.601 -7.503 -1.598 1.00 2.88 C ATOM 831 OE1 GLU A 53 -23.563 -8.228 -1.929 1.00 3.46 O ATOM 832 OE2 GLU A 53 -22.752 -6.433 -0.976 1.00 3.23 O ATOM 0 H GLU A 53 -19.797 -6.550 -0.328 1.00 1.45 H new ATOM 0 HA GLU A 53 -19.042 -9.342 0.350 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -20.536 -9.937 -1.536 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -21.371 -9.144 -0.216 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -20.534 -7.063 -2.005 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -21.202 -8.337 -3.005 1.00 2.39 H new ATOM 839 N VAL A 54 -17.175 -9.377 -1.288 1.00 0.84 N ATOM 840 CA VAL A 54 -16.045 -9.436 -2.222 1.00 0.66 C ATOM 841 C VAL A 54 -16.318 -10.417 -3.373 1.00 0.55 C ATOM 842 O VAL A 54 -16.096 -10.074 -4.536 1.00 0.49 O ATOM 843 CB VAL A 54 -14.746 -9.825 -1.482 1.00 0.81 C ATOM 844 CG1 VAL A 54 -13.528 -9.229 -2.190 1.00 0.77 C ATOM 845 CG2 VAL A 54 -14.786 -9.376 -0.019 1.00 1.34 C ATOM 0 H VAL A 54 -17.097 -10.018 -0.498 1.00 0.84 H new ATOM 0 HA VAL A 54 -15.920 -8.442 -2.651 1.00 0.66 H new ATOM 0 HB VAL A 54 -14.664 -10.912 -1.498 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -12.621 -9.513 -1.655 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -13.480 -9.606 -3.211 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -13.613 -8.142 -2.208 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -13.858 -9.664 0.475 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -14.900 -8.293 0.026 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -15.628 -9.851 0.484 1.00 1.34 H new ATOM 855 N PRO A 55 -16.780 -11.661 -3.076 1.00 0.62 N ATOM 856 CA PRO A 55 -17.043 -12.677 -4.104 1.00 0.59 C ATOM 857 C PRO A 55 -18.491 -12.656 -4.615 1.00 0.58 C ATOM 858 O PRO A 55 -19.443 -12.726 -3.831 1.00 0.83 O ATOM 859 CB PRO A 55 -16.747 -13.988 -3.377 1.00 0.76 C ATOM 860 CG PRO A 55 -16.963 -13.707 -1.917 1.00 0.87 C ATOM 861 CD PRO A 55 -17.061 -12.203 -1.736 1.00 0.83 C ATOM 0 HA PRO A 55 -16.439 -12.515 -4.997 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -17.406 -14.784 -3.723 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -15.725 -14.316 -3.565 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -17.874 -14.193 -1.567 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -16.140 -14.109 -1.326 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -18.050 -11.907 -1.386 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -16.341 -11.842 -1.001 1.00 0.83 H new ATOM 869 N VAL A 56 -18.639 -12.591 -5.934 1.00 0.41 N ATOM 870 CA VAL A 56 -19.947 -12.595 -6.593 1.00 0.43 C ATOM 871 C VAL A 56 -19.986 -13.766 -7.577 1.00 0.42 C ATOM 872 O VAL A 56 -19.024 -14.002 -8.312 1.00 0.43 O ATOM 873 CB VAL A 56 -20.188 -11.260 -7.313 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.509 -11.277 -8.084 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.184 -10.105 -6.312 1.00 0.63 C ATOM 0 H VAL A 56 -17.853 -12.534 -6.582 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.740 -12.714 -5.854 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.377 -11.116 -8.027 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.651 -10.318 -8.583 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.486 -12.073 -8.828 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.332 -11.451 -7.391 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.356 -9.166 -6.839 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -20.974 -10.258 -5.576 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.219 -10.065 -5.806 1.00 0.63 H new ATOM 885 N SER A 57 -21.082 -14.512 -7.566 1.00 0.47 N ATOM 886 CA SER A 57 -21.246 -15.677 -8.418 1.00 0.48 C ATOM 887 C SER A 57 -21.846 -15.310 -9.781 1.00 0.46 C ATOM 888 O SER A 57 -22.926 -14.716 -9.860 1.00 0.59 O ATOM 889 CB SER A 57 -22.145 -16.672 -7.703 1.00 0.61 C ATOM 890 OG SER A 57 -21.508 -17.179 -6.539 1.00 0.91 O ATOM 0 H SER A 57 -21.883 -14.324 -6.964 1.00 0.47 H new ATOM 0 HA SER A 57 -20.265 -16.113 -8.608 1.00 0.48 H new ATOM 0 HB2 SER A 57 -23.083 -16.190 -7.429 1.00 0.61 H new ATOM 0 HB3 SER A 57 -22.393 -17.494 -8.375 1.00 0.61 H new ATOM 0 HG SER A 57 -22.103 -17.816 -6.092 1.00 0.91 H new ATOM 896 N LEU A 58 -21.158 -15.712 -10.853 1.00 0.44 N ATOM 897 CA LEU A 58 -21.621 -15.476 -12.226 1.00 0.49 C ATOM 898 C LEU A 58 -22.487 -16.657 -12.670 1.00 0.60 C ATOM 899 O LEU A 58 -22.276 -17.242 -13.734 1.00 0.89 O ATOM 900 CB LEU A 58 -20.421 -15.314 -13.173 1.00 0.67 C ATOM 901 CG LEU A 58 -19.641 -14.023 -12.893 1.00 0.70 C ATOM 902 CD1 LEU A 58 -18.319 -14.027 -13.662 1.00 0.86 C ATOM 903 CD2 LEU A 58 -20.476 -12.788 -13.252 1.00 0.60 C ATOM 0 H LEU A 58 -20.269 -16.208 -10.796 1.00 0.44 H new ATOM 0 HA LEU A 58 -22.209 -14.559 -12.258 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.756 -16.171 -13.066 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -20.771 -15.310 -14.205 1.00 0.67 H new ATOM 0 HG LEU A 58 -19.422 -13.978 -11.826 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -17.775 -13.106 -13.455 1.00 0.86 H new ATOM 0 HD12 LEU A 58 -17.719 -14.881 -13.349 1.00 0.86 H new ATOM 0 HD13 LEU A 58 -18.520 -14.097 -14.731 1.00 0.86 H new ATOM 0 HD21 LEU A 58 -19.900 -11.886 -13.044 1.00 0.60 H new ATOM 0 HD22 LEU A 58 -20.733 -12.818 -14.311 1.00 0.60 H new ATOM 0 HD23 LEU A 58 -21.389 -12.781 -12.657 1.00 0.60 H new ATOM 915 N LYS A 59 -23.462 -17.003 -11.833 1.00 0.70 N ATOM 916 CA LYS A 59 -24.377 -18.115 -12.102 1.00 0.90 C ATOM 917 C LYS A 59 -25.421 -17.684 -13.137 1.00 0.87 C ATOM 918 O LYS A 59 -26.420 -17.052 -12.792 1.00 0.95 O ATOM 919 CB LYS A 59 -25.047 -18.563 -10.786 1.00 1.13 C ATOM 920 CG LYS A 59 -24.960 -20.080 -10.595 1.00 1.41 C ATOM 921 CD LYS A 59 -26.101 -20.810 -11.306 1.00 1.78 C ATOM 922 CE LYS A 59 -26.061 -22.306 -11.001 1.00 2.18 C ATOM 923 NZ LYS A 59 -24.808 -22.931 -11.509 1.00 2.83 N ATOM 0 H LYS A 59 -23.642 -16.523 -10.951 1.00 0.70 H new ATOM 0 HA LYS A 59 -23.823 -18.961 -12.509 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -24.568 -18.062 -9.945 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -26.093 -18.256 -10.787 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -24.005 -20.440 -10.977 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -24.986 -20.314 -9.531 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -27.058 -20.395 -10.989 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -26.026 -20.651 -12.382 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -26.137 -22.462 -9.925 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -26.923 -22.795 -11.455 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -24.884 -23.966 -11.440 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -24.663 -22.660 -12.503 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -24.001 -22.604 -10.940 1.00 2.83 H new ATOM 937 N GLU A 60 -25.157 -18.007 -14.409 1.00 0.89 N ATOM 938 CA GLU A 60 -26.041 -17.648 -15.533 1.00 0.93 C ATOM 939 C GLU A 60 -26.235 -16.128 -15.591 1.00 0.71 C ATOM 940 O GLU A 60 -27.359 -15.623 -15.565 1.00 0.82 O ATOM 941 CB GLU A 60 -27.387 -18.375 -15.411 1.00 1.20 C ATOM 942 CG GLU A 60 -27.185 -19.883 -15.178 1.00 1.43 C ATOM 943 CD GLU A 60 -28.118 -20.706 -16.057 1.00 1.80 C ATOM 944 OE1 GLU A 60 -27.994 -20.638 -17.296 1.00 2.04 O ATOM 945 OE2 GLU A 60 -28.983 -21.416 -15.508 1.00 2.33 O ATOM 0 H GLU A 60 -24.325 -18.525 -14.692 1.00 0.89 H new ATOM 0 HA GLU A 60 -25.573 -17.966 -16.465 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -27.959 -17.950 -14.586 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -27.971 -18.219 -16.318 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -26.150 -20.151 -15.391 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -27.366 -20.119 -14.129 1.00 1.43 H new ATOM 952 N ALA A 61 -25.115 -15.409 -15.658 1.00 0.51 N ATOM 953 CA ALA A 61 -25.121 -13.943 -15.703 1.00 0.35 C ATOM 954 C ALA A 61 -25.393 -13.447 -17.119 1.00 0.35 C ATOM 955 O ALA A 61 -24.613 -13.711 -18.035 1.00 0.43 O ATOM 956 CB ALA A 61 -23.773 -13.400 -15.219 1.00 0.31 C ATOM 0 H ALA A 61 -24.182 -15.821 -15.683 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.915 -13.583 -15.048 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.785 -12.311 -15.255 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.596 -13.727 -14.194 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.977 -13.776 -15.862 1.00 0.31 H new ATOM 962 N ILE A 62 -26.485 -12.705 -17.288 1.00 0.34 N ATOM 963 CA ILE A 62 -26.845 -12.143 -18.591 1.00 0.37 C ATOM 964 C ILE A 62 -25.995 -10.900 -18.840 1.00 0.31 C ATOM 965 O ILE A 62 -25.901 -10.017 -17.981 1.00 0.31 O ATOM 966 CB ILE A 62 -28.338 -11.790 -18.645 1.00 0.46 C ATOM 967 CG1 ILE A 62 -29.202 -13.030 -18.375 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.702 -11.179 -20.003 1.00 0.57 C ATOM 969 CD1 ILE A 62 -30.669 -12.654 -18.176 1.00 1.27 C ATOM 0 H ILE A 62 -27.138 -12.478 -16.538 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.655 -12.884 -19.367 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.537 -11.053 -17.867 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -29.113 -13.726 -19.209 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.834 -13.546 -17.488 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.765 -10.936 -20.020 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -28.120 -10.271 -20.161 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.481 -11.895 -20.795 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -31.253 -13.555 -17.987 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -30.759 -11.978 -17.326 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -31.043 -12.161 -19.073 1.00 1.27 H new ATOM 981 N CYS A 63 -25.368 -10.843 -20.005 1.00 0.34 N ATOM 982 CA CYS A 63 -24.505 -9.723 -20.370 1.00 0.33 C ATOM 983 C CYS A 63 -24.973 -9.126 -21.699 1.00 0.34 C ATOM 984 O CYS A 63 -25.236 -9.854 -22.663 1.00 0.52 O ATOM 985 CB CYS A 63 -23.049 -10.210 -20.447 1.00 0.37 C ATOM 986 SG CYS A 63 -21.847 -8.908 -20.131 1.00 0.53 S ATOM 0 H CYS A 63 -25.440 -11.565 -20.722 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.562 -8.939 -19.615 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.903 -11.013 -19.725 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -22.866 -10.632 -21.435 1.00 0.37 H new ATOM 0 HG CYS A 63 -22.456 -7.860 -19.660 1.00 0.53 H new ATOM 992 N GLU A 64 -25.092 -7.798 -21.733 1.00 0.26 N ATOM 993 CA GLU A 64 -25.543 -7.074 -22.925 1.00 0.29 C ATOM 994 C GLU A 64 -24.618 -5.893 -23.197 1.00 0.24 C ATOM 995 O GLU A 64 -24.526 -4.975 -22.386 1.00 0.36 O ATOM 996 CB GLU A 64 -26.975 -6.557 -22.722 1.00 0.33 C ATOM 997 CG GLU A 64 -27.930 -7.647 -22.227 1.00 0.81 C ATOM 998 CD GLU A 64 -29.358 -7.112 -22.205 1.00 1.41 C ATOM 999 OE1 GLU A 64 -29.622 -6.133 -21.475 1.00 1.96 O ATOM 1000 OE2 GLU A 64 -30.216 -7.657 -22.926 1.00 1.83 O ATOM 0 H GLU A 64 -24.880 -7.195 -20.939 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.523 -7.757 -23.774 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -26.963 -5.737 -22.004 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.348 -6.152 -23.663 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -27.869 -8.520 -22.877 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -27.639 -7.973 -21.228 1.00 0.81 H new ATOM 1007 N VAL A 65 -23.942 -5.909 -24.342 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.030 -4.828 -24.727 1.00 0.32 C ATOM 1009 C VAL A 65 -23.819 -3.554 -25.062 1.00 0.31 C ATOM 1010 O VAL A 65 -24.860 -3.605 -25.721 1.00 0.43 O ATOM 1011 CB VAL A 65 -22.143 -5.266 -25.917 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -22.867 -6.227 -26.858 1.00 0.39 C ATOM 1013 CG2 VAL A 65 -21.604 -4.070 -26.710 1.00 0.34 C ATOM 0 H VAL A 65 -24.007 -6.663 -25.026 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.375 -4.606 -23.884 1.00 0.32 H new ATOM 0 HB VAL A 65 -21.298 -5.793 -25.474 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -22.203 -6.505 -27.676 1.00 0.39 H new ATOM 0 HG12 VAL A 65 -23.160 -7.122 -26.309 1.00 0.39 H new ATOM 0 HG13 VAL A 65 -23.756 -5.741 -27.261 1.00 0.39 H new ATOM 0 HG21 VAL A 65 -20.988 -4.428 -27.534 1.00 0.34 H new ATOM 0 HG22 VAL A 65 -22.438 -3.490 -27.106 1.00 0.34 H new ATOM 0 HG23 VAL A 65 -21.003 -3.440 -26.054 1.00 0.34 H new ATOM 1023 N ALA A 66 -23.294 -2.422 -24.602 1.00 0.25 N ATOM 1024 CA ALA A 66 -23.887 -1.108 -24.826 1.00 0.31 C ATOM 1025 C ALA A 66 -22.830 -0.208 -25.464 1.00 0.34 C ATOM 1026 O ALA A 66 -22.094 0.514 -24.778 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.382 -0.523 -23.500 1.00 0.36 C ATOM 0 H ALA A 66 -22.433 -2.392 -24.056 1.00 0.25 H new ATOM 0 HA ALA A 66 -24.746 -1.186 -25.493 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.823 0.458 -23.677 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.132 -1.185 -23.068 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.544 -0.425 -22.810 1.00 0.36 H new ATOM 1033 N LEU A 67 -22.738 -0.283 -26.791 1.00 0.55 N ATOM 1034 CA LEU A 67 -21.756 0.490 -27.562 1.00 0.71 C ATOM 1035 C LEU A 67 -22.099 1.985 -27.591 1.00 0.89 C ATOM 1036 O LEU A 67 -21.244 2.813 -27.912 1.00 1.22 O ATOM 1037 CB LEU A 67 -21.670 -0.062 -28.996 1.00 0.76 C ATOM 1038 CG LEU A 67 -20.216 -0.179 -29.466 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -19.532 -1.376 -28.805 1.00 1.38 C ATOM 1040 CD2 LEU A 67 -20.140 -0.302 -30.988 1.00 1.39 C ATOM 0 H LEU A 67 -23.338 -0.878 -27.363 1.00 0.55 H new ATOM 0 HA LEU A 67 -20.789 0.387 -27.070 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -22.148 -1.041 -29.040 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -22.221 0.592 -29.672 1.00 0.76 H new ATOM 0 HG LEU A 67 -19.694 0.731 -29.169 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -18.501 -1.443 -29.151 1.00 1.38 H new ATOM 0 HD12 LEU A 67 -19.544 -1.250 -27.722 1.00 1.38 H new ATOM 0 HD13 LEU A 67 -20.063 -2.290 -29.070 1.00 1.38 H new ATOM 0 HD21 LEU A 67 -19.097 -0.384 -31.295 1.00 1.39 H new ATOM 0 HD22 LEU A 67 -20.683 -1.191 -31.309 1.00 1.39 H new ATOM 0 HD23 LEU A 67 -20.585 0.581 -31.447 1.00 1.39 H new ATOM 1052 N ASP A 68 -23.344 2.330 -27.259 1.00 0.90 N ATOM 1053 CA ASP A 68 -23.788 3.726 -27.249 1.00 1.14 C ATOM 1054 C ASP A 68 -24.618 4.016 -25.995 1.00 0.87 C ATOM 1055 O ASP A 68 -25.706 4.591 -26.075 1.00 1.00 O ATOM 1056 CB ASP A 68 -24.594 4.047 -28.526 1.00 1.59 C ATOM 1057 CG ASP A 68 -24.624 5.555 -28.780 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -23.567 6.135 -29.099 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -25.711 6.166 -28.662 1.00 2.62 O ATOM 0 H ASP A 68 -24.065 1.660 -26.993 1.00 0.90 H new ATOM 0 HA ASP A 68 -22.908 4.369 -27.231 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -24.149 3.538 -29.381 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -25.612 3.670 -28.425 1.00 1.59 H new ATOM 1064 N TYR A 69 -24.086 3.644 -24.822 1.00 0.81 N ATOM 1065 CA TYR A 69 -24.768 3.909 -23.549 1.00 0.69 C ATOM 1066 C TYR A 69 -24.621 5.403 -23.244 1.00 0.97 C ATOM 1067 O TYR A 69 -23.529 5.853 -22.889 1.00 1.47 O ATOM 1068 CB TYR A 69 -24.157 3.073 -22.409 1.00 0.58 C ATOM 1069 CG TYR A 69 -24.707 3.447 -21.045 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.051 3.262 -20.757 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -23.861 3.958 -20.072 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -26.542 3.588 -19.504 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.358 4.285 -18.821 1.00 0.64 C ATOM 1074 CZ TYR A 69 -25.723 4.162 -18.570 1.00 0.76 C ATOM 1075 OH TYR A 69 -26.199 4.416 -17.300 1.00 0.97 O ATOM 0 H TYR A 69 -23.192 3.162 -24.729 1.00 0.81 H new ATOM 0 HA TYR A 69 -25.819 3.632 -23.628 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -24.349 2.017 -22.596 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -23.075 3.205 -22.408 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -26.715 2.864 -21.510 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -22.813 4.101 -20.290 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -27.576 3.388 -19.263 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -23.692 4.633 -18.045 1.00 0.64 H new ATOM 0 HH TYR A 69 -25.490 4.824 -16.761 1.00 0.97 H new ATOM 1173 N HIS A 74 -17.169 2.381 -24.893 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.556 0.961 -24.882 1.00 0.38 C ATOM 1175 C HIS A 74 -18.002 0.544 -23.481 1.00 0.30 C ATOM 1176 O HIS A 74 -17.176 0.442 -22.562 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.370 0.083 -25.332 1.00 0.64 C ATOM 1178 CG HIS A 74 -16.323 -0.189 -26.809 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -16.829 0.659 -27.760 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -15.810 -1.231 -27.510 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -16.643 0.180 -28.967 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -16.019 -0.982 -28.852 1.00 1.53 N ATOM 0 HA HIS A 74 -18.386 0.823 -25.575 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.441 0.569 -25.035 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -16.416 -0.868 -24.801 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -15.324 -2.101 -27.093 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -16.945 0.650 -29.891 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -15.740 -1.589 -29.623 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.303 0.294 -23.327 1.00 0.26 N ATOM 1191 CA VAL A 75 -19.892 -0.129 -22.050 1.00 0.23 C ATOM 1192 C VAL A 75 -20.621 -1.461 -22.245 1.00 0.22 C ATOM 1193 O VAL A 75 -21.110 -1.748 -23.332 1.00 0.26 O ATOM 1194 CB VAL A 75 -20.883 0.948 -21.557 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.640 0.494 -20.303 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.157 2.261 -21.272 1.00 0.31 C ATOM 0 H VAL A 75 -19.981 0.378 -24.084 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.105 -0.256 -21.306 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.609 1.104 -22.355 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.327 1.280 -19.988 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.203 -0.412 -20.526 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -20.929 0.291 -19.502 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.874 3.006 -20.926 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.402 2.100 -20.503 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.676 2.616 -22.184 1.00 0.31 H new ATOM 1206 N PHE A 76 -20.716 -2.258 -21.189 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.427 -3.530 -21.245 1.00 0.23 C ATOM 1208 C PHE A 76 -22.195 -3.734 -19.948 1.00 0.22 C ATOM 1209 O PHE A 76 -21.701 -3.449 -18.858 1.00 0.27 O ATOM 1210 CB PHE A 76 -20.489 -4.710 -21.549 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.491 -5.052 -20.457 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -19.843 -5.927 -19.441 1.00 0.27 C ATOM 1213 CD2 PHE A 76 -18.232 -4.465 -20.454 1.00 0.26 C ATOM 1214 CE1 PHE A 76 -18.939 -6.218 -18.429 1.00 0.29 C ATOM 1215 CE2 PHE A 76 -17.332 -4.753 -19.441 1.00 0.28 C ATOM 1216 CZ PHE A 76 -17.648 -5.725 -18.494 1.00 0.29 C ATOM 0 H PHE A 76 -20.308 -2.045 -20.279 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.135 -3.495 -22.073 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.097 -5.592 -21.750 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -19.938 -4.487 -22.463 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -20.822 -6.383 -19.437 1.00 0.27 H new ATOM 0 HD2 PHE A 76 -17.954 -3.782 -21.243 1.00 0.26 H new ATOM 0 HE1 PHE A 76 -19.243 -6.829 -17.592 1.00 0.29 H new ATOM 0 HE2 PHE A 76 -16.390 -4.227 -19.386 1.00 0.28 H new ATOM 0 HZ PHE A 76 -16.891 -6.091 -17.816 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.424 -4.199 -20.090 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.321 -4.431 -18.963 1.00 0.28 C ATOM 1228 C LYS A 77 -24.136 -5.834 -18.400 1.00 0.31 C ATOM 1229 O LYS A 77 -23.789 -6.768 -19.125 1.00 0.58 O ATOM 1230 CB LYS A 77 -25.768 -4.239 -19.430 1.00 0.36 C ATOM 1231 CG LYS A 77 -26.750 -4.203 -18.261 1.00 1.20 C ATOM 1232 CD LYS A 77 -28.045 -3.504 -18.662 1.00 1.33 C ATOM 1233 CE LYS A 77 -28.848 -3.074 -17.437 1.00 1.76 C ATOM 1234 NZ LYS A 77 -30.164 -2.506 -17.824 1.00 1.95 N ATOM 0 H LYS A 77 -23.834 -4.429 -20.995 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.088 -3.719 -18.172 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -25.845 -3.311 -19.996 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.040 -5.049 -20.107 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -26.967 -5.219 -17.931 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -26.298 -3.683 -17.416 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -27.815 -2.631 -19.273 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -28.647 -4.174 -19.277 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -28.999 -3.930 -16.780 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -28.283 -2.334 -16.871 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -30.685 -2.224 -16.969 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -30.018 -1.674 -18.431 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -30.712 -3.222 -18.343 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.390 -5.968 -17.105 1.00 0.23 N ATOM 1249 CA LEU A 78 -24.283 -7.241 -16.398 1.00 0.24 C ATOM 1250 C LEU A 78 -25.506 -7.403 -15.492 1.00 0.29 C ATOM 1251 O LEU A 78 -25.700 -6.627 -14.550 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.982 -7.293 -15.573 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.054 -8.415 -16.041 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -20.868 -8.546 -15.081 1.00 0.86 C ATOM 1255 CD2 LEU A 78 -22.807 -9.749 -16.170 1.00 0.30 C ATOM 0 H LEU A 78 -24.678 -5.192 -16.510 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.251 -8.060 -17.117 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -22.464 -6.337 -15.651 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -23.225 -7.438 -14.520 1.00 0.30 H new ATOM 0 HG LEU A 78 -21.678 -8.159 -17.032 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -20.212 -9.347 -15.421 1.00 0.86 H new ATOM 0 HD12 LEU A 78 -20.314 -7.608 -15.058 1.00 0.86 H new ATOM 0 HD13 LEU A 78 -21.234 -8.776 -14.080 1.00 0.86 H new ATOM 0 HD21 LEU A 78 -22.118 -10.525 -16.504 1.00 0.30 H new ATOM 0 HD22 LEU A 78 -23.224 -10.027 -15.202 1.00 0.30 H new ATOM 0 HD23 LEU A 78 -23.614 -9.643 -16.895 1.00 0.30 H new ATOM 1267 N ARG A 79 -26.324 -8.406 -15.794 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.544 -8.699 -15.040 1.00 0.40 C ATOM 1269 C ARG A 79 -27.440 -10.102 -14.439 1.00 0.45 C ATOM 1270 O ARG A 79 -27.471 -11.100 -15.165 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.772 -8.603 -15.971 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.982 -8.004 -15.251 1.00 1.11 C ATOM 1273 CD ARG A 79 -31.290 -8.314 -15.988 1.00 1.51 C ATOM 1274 NE ARG A 79 -32.404 -7.603 -15.360 1.00 1.91 N ATOM 1275 CZ ARG A 79 -33.655 -7.763 -15.765 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -34.111 -7.059 -16.794 1.00 2.99 N ATOM 1277 NH2 ARG A 79 -34.436 -8.639 -15.151 1.00 2.93 N ATOM 0 H ARG A 79 -26.161 -9.044 -16.573 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.662 -7.973 -14.236 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.524 -7.991 -16.838 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -29.025 -9.596 -16.344 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -30.034 -8.398 -14.236 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -29.858 -6.924 -15.168 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -31.205 -8.020 -17.034 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -31.479 -9.387 -15.973 1.00 1.51 H new ATOM 0 HE ARG A 79 -32.212 -6.965 -14.588 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -33.498 -6.397 -17.271 1.00 2.99 H new ATOM 0 HH12 ARG A 79 -35.074 -7.180 -17.108 1.00 2.99 H new ATOM 0 HH21 ARG A 79 -34.073 -9.186 -14.370 1.00 2.93 H new ATOM 0 HH22 ARG A 79 -35.400 -8.766 -15.459 1.00 2.93 H new ATOM 1291 N LEU A 80 -27.318 -10.177 -13.115 1.00 0.54 N ATOM 1292 CA LEU A 80 -27.216 -11.461 -12.412 1.00 0.68 C ATOM 1293 C LEU A 80 -28.595 -12.128 -12.333 1.00 0.84 C ATOM 1294 O LEU A 80 -29.628 -11.458 -12.419 1.00 1.06 O ATOM 1295 CB LEU A 80 -26.635 -11.249 -11.007 1.00 0.82 C ATOM 1296 CG LEU A 80 -25.225 -10.637 -11.048 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -24.550 -10.739 -9.678 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -24.356 -11.309 -12.112 1.00 1.26 C ATOM 0 H LEU A 80 -27.287 -9.362 -12.503 1.00 0.54 H new ATOM 0 HA LEU A 80 -26.546 -12.118 -12.966 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -27.296 -10.596 -10.437 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -26.600 -12.204 -10.482 1.00 0.82 H new ATOM 0 HG LEU A 80 -25.332 -9.585 -11.311 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -23.554 -10.300 -9.730 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -25.145 -10.203 -8.939 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -24.470 -11.787 -9.389 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -23.366 -10.853 -12.115 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -24.265 -12.372 -11.889 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -24.817 -11.182 -13.092 1.00 1.26 H new ATOM 1310 N SER A 81 -28.604 -13.450 -12.192 1.00 1.01 N ATOM 1311 CA SER A 81 -29.847 -14.227 -12.132 1.00 1.23 C ATOM 1312 C SER A 81 -30.501 -14.177 -10.742 1.00 1.40 C ATOM 1313 O SER A 81 -31.694 -14.465 -10.608 1.00 1.92 O ATOM 1314 CB SER A 81 -29.563 -15.682 -12.541 1.00 1.52 C ATOM 1315 OG SER A 81 -30.585 -16.170 -13.400 1.00 2.18 O ATOM 0 H SER A 81 -27.758 -14.014 -12.116 1.00 1.01 H new ATOM 0 HA SER A 81 -30.555 -13.779 -12.829 1.00 1.23 H new ATOM 0 HB2 SER A 81 -28.598 -15.742 -13.045 1.00 1.52 H new ATOM 0 HB3 SER A 81 -29.498 -16.309 -11.652 1.00 1.52 H new ATOM 0 HG SER A 81 -30.387 -17.096 -13.651 1.00 2.18 H new ATOM 1321 N ASP A 82 -29.735 -13.824 -9.706 1.00 1.33 N ATOM 1322 CA ASP A 82 -30.276 -13.757 -8.342 1.00 1.76 C ATOM 1323 C ASP A 82 -31.030 -12.439 -8.125 1.00 1.31 C ATOM 1324 O ASP A 82 -32.260 -12.432 -8.039 1.00 1.74 O ATOM 1325 CB ASP A 82 -29.153 -13.931 -7.300 1.00 2.76 C ATOM 1326 CG ASP A 82 -29.730 -14.415 -5.975 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -30.181 -13.576 -5.171 1.00 3.98 O ATOM 1328 OD2 ASP A 82 -29.719 -15.636 -5.725 1.00 3.77 O ATOM 0 H ASP A 82 -28.747 -13.582 -9.782 1.00 1.33 H new ATOM 0 HA ASP A 82 -30.983 -14.576 -8.212 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -28.416 -14.646 -7.666 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -28.634 -12.984 -7.154 1.00 2.76 H new ATOM 1333 N GLY A 83 -30.302 -11.326 -8.049 1.00 1.09 N ATOM 1334 CA GLY A 83 -30.928 -10.016 -7.849 1.00 1.53 C ATOM 1335 C GLY A 83 -29.883 -8.911 -7.696 1.00 1.31 C ATOM 1336 O GLY A 83 -29.862 -8.211 -6.662 1.00 1.88 O ATOM 0 H GLY A 83 -29.285 -11.302 -8.122 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -31.577 -9.789 -8.695 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -31.560 -10.046 -6.961 1.00 1.53 H new ATOM 1340 N ASN A 84 -29.040 -8.742 -8.736 1.00 0.93 N ATOM 1341 CA ASN A 84 -28.001 -7.709 -8.754 1.00 0.71 C ATOM 1342 C ASN A 84 -27.848 -7.235 -10.197 1.00 0.62 C ATOM 1343 O ASN A 84 -27.954 -8.044 -11.126 1.00 0.65 O ATOM 1344 CB ASN A 84 -26.656 -8.260 -8.232 1.00 0.84 C ATOM 1345 CG ASN A 84 -26.636 -8.344 -6.698 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -27.226 -9.248 -6.109 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -25.938 -7.422 -6.048 1.00 1.32 N ATOM 0 H ASN A 84 -29.065 -9.317 -9.578 1.00 0.93 H new ATOM 0 HA ASN A 84 -28.288 -6.885 -8.101 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -26.480 -9.250 -8.653 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -25.843 -7.619 -8.572 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -25.879 -7.450 -5.030 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -25.460 -6.685 -6.566 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.630 -5.932 -10.388 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.496 -5.340 -11.727 1.00 0.55 C ATOM 1356 C GLU A 85 -26.383 -4.282 -11.734 1.00 0.47 C ATOM 1357 O GLU A 85 -26.319 -3.436 -10.834 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.831 -4.702 -12.122 1.00 0.70 C ATOM 1359 CG GLU A 85 -29.879 -5.766 -12.446 1.00 1.16 C ATOM 1360 CD GLU A 85 -31.123 -5.135 -13.063 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -31.167 -3.897 -13.180 1.00 1.43 O ATOM 1362 OE2 GLU A 85 -32.062 -5.872 -13.421 1.00 1.39 O ATOM 0 H GLU A 85 -27.541 -5.259 -9.627 1.00 0.59 H new ATOM 0 HA GLU A 85 -27.233 -6.117 -12.444 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.190 -4.071 -11.309 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.686 -4.056 -12.988 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -29.458 -6.499 -13.135 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -30.151 -6.303 -11.537 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.504 -4.331 -12.746 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.384 -3.383 -12.861 1.00 0.31 C ATOM 1371 C TYR A 86 -24.057 -3.069 -14.325 1.00 0.29 C ATOM 1372 O TYR A 86 -24.372 -3.848 -15.229 1.00 0.40 O ATOM 1373 CB TYR A 86 -23.118 -3.977 -12.226 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.304 -4.472 -10.820 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -23.248 -3.590 -9.753 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -23.553 -5.809 -10.597 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -23.441 -4.052 -8.466 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -23.743 -6.271 -9.312 1.00 0.62 C ATOM 1379 CZ TYR A 86 -23.603 -5.373 -8.232 1.00 0.63 C ATOM 1380 OH TYR A 86 -23.877 -5.852 -6.969 1.00 0.77 O ATOM 0 H TYR A 86 -25.547 -5.018 -13.498 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.690 -2.471 -12.349 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.768 -4.803 -12.846 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.334 -3.220 -12.231 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -23.054 -2.542 -9.928 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -23.599 -6.495 -11.430 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -23.463 -3.354 -7.642 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -23.996 -7.306 -9.134 1.00 0.62 H new ATOM 0 HH TYR A 86 -24.158 -5.111 -6.392 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.350 -1.953 -14.525 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.865 -1.521 -15.845 1.00 0.23 C ATOM 1392 C LEU A 87 -21.342 -1.462 -15.761 1.00 0.22 C ATOM 1393 O LEU A 87 -20.802 -0.949 -14.773 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.391 -0.123 -16.241 1.00 0.26 C ATOM 1395 CG LEU A 87 -24.917 0.009 -16.165 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.370 1.308 -16.843 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.622 -1.186 -16.804 1.00 0.38 C ATOM 0 H LEU A 87 -23.094 -1.316 -13.770 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.220 -2.224 -16.598 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -22.938 0.623 -15.588 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -23.066 0.103 -17.257 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.193 0.034 -15.111 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.455 1.391 -16.783 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -24.913 2.160 -16.340 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -25.064 1.298 -17.889 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.701 -1.054 -16.730 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.337 -1.258 -17.854 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.332 -2.100 -16.285 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.652 -1.990 -16.768 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.188 -2.008 -16.782 1.00 0.19 C ATOM 1411 C PHE A 88 -18.637 -1.341 -18.045 1.00 0.20 C ATOM 1412 O PHE A 88 -19.053 -1.661 -19.157 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.701 -3.454 -16.692 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.802 -4.024 -15.297 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.819 -3.751 -14.353 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.884 -4.815 -14.955 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -17.923 -4.270 -13.074 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -19.987 -5.335 -13.678 1.00 0.25 C ATOM 1419 CZ PHE A 88 -18.965 -5.075 -12.737 1.00 0.22 C ATOM 0 H PHE A 88 -21.083 -2.413 -17.590 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.824 -1.443 -15.924 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.285 -4.072 -17.374 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.664 -3.504 -17.025 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -16.973 -3.133 -14.618 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.650 -5.027 -15.687 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.170 -4.033 -12.337 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.841 -5.935 -13.402 1.00 0.25 H new ATOM 0 HZ PHE A 88 -19.012 -5.515 -11.752 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.689 -0.421 -17.863 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.049 0.298 -18.975 1.00 0.26 C ATOM 1431 C GLN A 89 -15.604 -0.178 -19.127 1.00 0.22 C ATOM 1432 O GLN A 89 -14.824 -0.148 -18.165 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.092 1.812 -18.717 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.843 2.628 -19.990 1.00 0.52 C ATOM 1435 CD GLN A 89 -17.026 4.116 -19.693 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -18.122 4.657 -19.828 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -15.951 4.776 -19.294 1.00 1.63 N ATOM 0 H GLN A 89 -17.341 -0.151 -16.943 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.589 0.090 -19.899 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.063 2.080 -18.301 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -16.343 2.072 -17.969 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -15.835 2.443 -20.361 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -17.533 2.316 -20.774 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -15.061 4.288 -19.195 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -16.013 5.773 -19.085 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.251 -0.616 -20.340 1.00 0.22 N ATOM 1447 CA ALA A 90 -13.896 -1.108 -20.646 1.00 0.24 C ATOM 1448 C ALA A 90 -12.961 0.063 -20.980 1.00 0.27 C ATOM 1449 O ALA A 90 -13.415 1.202 -21.123 1.00 0.32 O ATOM 1450 CB ALA A 90 -13.961 -2.080 -21.825 1.00 0.29 C ATOM 0 H ALA A 90 -15.889 -0.641 -21.135 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.501 -1.624 -19.771 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -12.959 -2.444 -22.052 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.604 -2.922 -21.567 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.367 -1.567 -22.697 1.00 0.29 H new ATOM 1456 N LYS A 91 -11.652 -0.207 -21.075 1.00 0.35 N ATOM 1457 CA LYS A 91 -10.661 0.844 -21.359 1.00 0.44 C ATOM 1458 C LYS A 91 -9.724 0.512 -22.539 1.00 0.49 C ATOM 1459 O LYS A 91 -8.861 1.327 -22.870 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.834 1.107 -20.088 1.00 0.65 C ATOM 1461 CG LYS A 91 -8.882 -0.052 -19.751 1.00 1.26 C ATOM 1462 CD LYS A 91 -9.276 -0.752 -18.453 1.00 1.43 C ATOM 1463 CE LYS A 91 -8.197 -1.759 -18.025 1.00 1.86 C ATOM 1464 NZ LYS A 91 -8.776 -3.079 -17.657 1.00 2.29 N ATOM 0 H LYS A 91 -11.254 -1.139 -20.960 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.215 1.734 -21.657 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.255 2.021 -20.219 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -10.509 1.274 -19.248 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -8.885 -0.773 -20.568 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -7.864 0.328 -19.664 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -9.422 -0.012 -17.666 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -10.227 -1.267 -18.587 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -7.483 -1.891 -18.838 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -7.644 -1.357 -17.176 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -8.010 -3.769 -17.523 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -9.317 -2.987 -16.774 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -9.407 -3.405 -18.417 1.00 2.29 H new ATOM 1478 N ASP A 92 -9.861 -0.664 -23.166 1.00 0.49 N ATOM 1479 CA ASP A 92 -8.974 -1.035 -24.284 1.00 0.66 C ATOM 1480 C ASP A 92 -9.741 -1.678 -25.451 1.00 0.59 C ATOM 1481 O ASP A 92 -9.272 -2.648 -26.046 1.00 0.75 O ATOM 1482 CB ASP A 92 -7.855 -1.972 -23.777 1.00 0.84 C ATOM 1483 CG ASP A 92 -6.672 -1.994 -24.746 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -6.177 -0.907 -25.112 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -6.238 -3.096 -25.140 1.00 2.01 O ATOM 0 H ASP A 92 -10.562 -1.365 -22.927 1.00 0.49 H new ATOM 0 HA ASP A 92 -8.528 -0.119 -24.672 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -7.518 -1.642 -22.794 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -8.249 -2.981 -23.656 1.00 0.84 H new ATOM 1490 N ASP A 93 -10.901 -1.102 -25.797 1.00 0.62 N ATOM 1491 CA ASP A 93 -11.749 -1.568 -26.934 1.00 0.63 C ATOM 1492 C ASP A 93 -12.095 -3.061 -26.844 1.00 0.49 C ATOM 1493 O ASP A 93 -13.122 -3.436 -26.272 1.00 0.54 O ATOM 1494 CB ASP A 93 -11.051 -1.289 -28.284 1.00 0.83 C ATOM 1495 CG ASP A 93 -10.944 0.206 -28.560 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -11.993 0.856 -28.747 1.00 2.21 O ATOM 1497 OD2 ASP A 93 -9.817 0.740 -28.576 1.00 2.13 O ATOM 0 H ASP A 93 -11.289 -0.298 -25.304 1.00 0.62 H new ATOM 0 HA ASP A 93 -12.680 -1.005 -26.871 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -10.055 -1.731 -28.278 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -11.608 -1.770 -29.089 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.220 -3.900 -27.421 1.00 0.41 N ATOM 1503 CA GLU A 94 -11.379 -5.370 -27.450 1.00 0.41 C ATOM 1504 C GLU A 94 -11.617 -5.944 -26.050 1.00 0.36 C ATOM 1505 O GLU A 94 -12.238 -7.000 -25.896 1.00 0.41 O ATOM 1506 CB GLU A 94 -10.130 -6.017 -28.062 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.891 -5.554 -29.505 1.00 1.21 C ATOM 1508 CD GLU A 94 -10.923 -6.161 -30.451 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -11.561 -7.161 -30.071 1.00 2.59 O ATOM 1510 OE2 GLU A 94 -11.101 -5.635 -31.569 1.00 2.43 O ATOM 0 H GLU A 94 -10.372 -3.577 -27.887 1.00 0.41 H new ATOM 0 HA GLU A 94 -12.254 -5.595 -28.060 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -9.260 -5.771 -27.454 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -10.237 -7.102 -28.042 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -9.942 -4.466 -29.555 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -8.888 -5.841 -29.822 1.00 1.21 H new ATOM 1517 N GLU A 95 -11.136 -5.224 -25.035 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.296 -5.609 -23.629 1.00 0.29 C ATOM 1519 C GLU A 95 -12.776 -5.856 -23.302 1.00 0.24 C ATOM 1520 O GLU A 95 -13.114 -6.793 -22.583 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.751 -4.486 -22.751 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.459 -4.960 -21.327 1.00 0.42 C ATOM 1523 CD GLU A 95 -10.565 -3.793 -20.355 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -10.560 -2.638 -20.813 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -10.648 -4.032 -19.134 1.00 1.30 O ATOM 0 H GLU A 95 -10.622 -4.353 -25.164 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.748 -6.532 -23.441 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.838 -4.090 -23.195 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.471 -3.668 -22.720 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -11.162 -5.743 -21.045 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.461 -5.395 -21.278 1.00 0.42 H new ATOM 1532 N MET A 96 -13.645 -5.015 -23.871 1.00 0.24 N ATOM 1533 CA MET A 96 -15.100 -5.117 -23.690 1.00 0.22 C ATOM 1534 C MET A 96 -15.602 -6.497 -24.135 1.00 0.22 C ATOM 1535 O MET A 96 -16.425 -7.117 -23.461 1.00 0.23 O ATOM 1536 CB MET A 96 -15.789 -4.011 -24.503 1.00 0.26 C ATOM 1537 CG MET A 96 -17.280 -3.881 -24.171 1.00 0.39 C ATOM 1538 SD MET A 96 -18.223 -3.141 -25.515 1.00 0.94 S ATOM 1539 CE MET A 96 -18.242 -4.483 -26.716 1.00 0.77 C ATOM 0 H MET A 96 -13.360 -4.242 -24.472 1.00 0.24 H new ATOM 0 HA MET A 96 -15.340 -4.994 -22.634 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.293 -3.060 -24.310 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.674 -4.221 -25.566 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.686 -4.867 -23.946 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.398 -3.275 -23.272 1.00 0.39 H new ATOM 0 HE1 MET A 96 -18.714 -4.141 -27.637 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.220 -4.796 -26.928 1.00 0.77 H new ATOM 0 HE3 MET A 96 -18.803 -5.325 -26.312 1.00 0.77 H new ATOM 1549 N ASN A 97 -15.075 -6.983 -25.262 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.440 -8.302 -25.799 1.00 0.28 C ATOM 1551 C ASN A 97 -14.832 -9.408 -24.923 1.00 0.26 C ATOM 1552 O ASN A 97 -15.474 -10.426 -24.658 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.946 -8.422 -27.252 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.317 -9.780 -27.859 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -16.490 -10.157 -27.900 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -14.317 -10.511 -28.328 1.00 1.24 N ATOM 0 H ASN A 97 -14.389 -6.481 -25.826 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.524 -8.414 -25.790 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -15.380 -7.623 -27.853 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.864 -8.292 -27.282 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -14.503 -11.424 -28.743 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -13.360 -10.161 -28.274 1.00 1.24 H new ATOM 1563 N THR A 98 -13.600 -9.179 -24.453 1.00 0.25 N ATOM 1564 CA THR A 98 -12.890 -10.130 -23.582 1.00 0.27 C ATOM 1565 C THR A 98 -13.671 -10.340 -22.268 1.00 0.23 C ATOM 1566 O THR A 98 -13.770 -11.461 -21.767 1.00 0.27 O ATOM 1567 CB THR A 98 -11.465 -9.613 -23.288 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.841 -9.156 -24.490 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.602 -10.702 -22.642 1.00 0.39 C ATOM 0 H THR A 98 -13.068 -8.335 -24.663 1.00 0.25 H new ATOM 0 HA THR A 98 -12.815 -11.090 -24.094 1.00 0.27 H new ATOM 0 HB THR A 98 -11.553 -8.781 -22.589 1.00 0.31 H new ATOM 0 HG1 THR A 98 -11.287 -8.341 -24.801 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.605 -10.308 -22.447 1.00 0.39 H new ATOM 0 HG22 THR A 98 -11.057 -11.018 -21.703 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.529 -11.556 -23.316 1.00 0.39 H new ATOM 1577 N TRP A 99 -14.235 -9.250 -21.726 1.00 0.20 N ATOM 1578 CA TRP A 99 -15.019 -9.299 -20.482 1.00 0.20 C ATOM 1579 C TRP A 99 -16.338 -10.055 -20.707 1.00 0.21 C ATOM 1580 O TRP A 99 -16.643 -11.007 -19.984 1.00 0.24 O ATOM 1581 CB TRP A 99 -15.311 -7.872 -19.974 1.00 0.21 C ATOM 1582 CG TRP A 99 -14.149 -7.241 -19.253 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.440 -6.135 -19.642 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.557 -7.675 -18.006 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.470 -5.883 -18.713 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.507 -6.795 -17.710 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.815 -8.720 -17.118 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.726 -6.932 -16.572 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -13.039 -8.860 -15.977 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -12.002 -7.976 -15.707 1.00 0.29 C ATOM 0 H TRP A 99 -14.162 -8.318 -22.133 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.435 -9.829 -19.730 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.588 -7.243 -20.820 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -16.171 -7.902 -19.305 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.619 -5.557 -20.537 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.806 -5.111 -18.767 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.615 -9.417 -17.318 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.922 -6.241 -16.366 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.244 -9.667 -15.289 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.407 -8.105 -14.815 1.00 0.29 H new ATOM 1601 N ILE A 100 -17.112 -9.627 -21.713 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.405 -10.254 -22.050 1.00 0.24 C ATOM 1603 C ILE A 100 -18.244 -11.757 -22.307 1.00 0.28 C ATOM 1604 O ILE A 100 -18.986 -12.569 -21.753 1.00 0.34 O ATOM 1605 CB ILE A 100 -19.026 -9.570 -23.285 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.473 -8.147 -22.941 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.218 -10.365 -23.825 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.905 -7.377 -24.187 1.00 0.29 C ATOM 0 H ILE A 100 -16.865 -8.842 -22.315 1.00 0.21 H new ATOM 0 HA ILE A 100 -19.071 -10.125 -21.197 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.259 -9.532 -24.058 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -20.300 -8.186 -22.232 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.657 -7.617 -22.450 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.632 -9.855 -24.695 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.889 -11.364 -24.112 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.983 -10.443 -23.053 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -20.216 -6.371 -23.904 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -19.070 -7.316 -24.885 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.738 -7.894 -24.663 1.00 0.29 H new ATOM 1620 N GLN A 101 -17.271 -12.118 -23.146 1.00 0.29 N ATOM 1621 CA GLN A 101 -17.005 -13.524 -23.490 1.00 0.35 C ATOM 1622 C GLN A 101 -16.644 -14.350 -22.250 1.00 0.36 C ATOM 1623 O GLN A 101 -17.150 -15.462 -22.072 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.876 -13.610 -24.524 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.308 -13.022 -25.876 1.00 0.48 C ATOM 1626 CD GLN A 101 -16.569 -14.128 -26.895 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -15.748 -14.379 -27.775 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -17.709 -14.794 -26.781 1.00 1.76 N ATOM 0 H GLN A 101 -16.648 -11.454 -23.605 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.918 -13.940 -23.915 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -15.001 -13.074 -24.155 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.580 -14.651 -24.656 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -17.209 -12.423 -25.745 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -15.533 -12.353 -26.250 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -18.366 -14.557 -26.037 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -17.930 -15.544 -27.437 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.776 -13.804 -21.395 1.00 0.32 N ATOM 1638 CA ALA A 102 -15.345 -14.490 -20.169 1.00 0.37 C ATOM 1639 C ALA A 102 -16.523 -14.698 -19.203 1.00 0.38 C ATOM 1640 O ALA A 102 -16.681 -15.777 -18.633 1.00 0.48 O ATOM 1641 CB ALA A 102 -14.238 -13.681 -19.484 1.00 0.38 C ATOM 0 H ALA A 102 -15.355 -12.885 -21.528 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.960 -15.472 -20.444 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.922 -14.194 -18.576 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.388 -13.582 -20.160 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.616 -12.691 -19.229 1.00 0.38 H new ATOM 1647 N ILE A 103 -17.342 -13.660 -19.027 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.505 -13.720 -18.128 1.00 0.38 C ATOM 1649 C ILE A 103 -19.586 -14.663 -18.686 1.00 0.47 C ATOM 1650 O ILE A 103 -20.164 -15.461 -17.947 1.00 0.55 O ATOM 1651 CB ILE A 103 -19.081 -12.308 -17.923 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -18.051 -11.395 -17.236 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.377 -12.345 -17.103 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.304 -9.921 -17.555 1.00 0.35 C ATOM 0 H ILE A 103 -17.224 -12.762 -19.496 1.00 0.33 H new ATOM 0 HA ILE A 103 -18.178 -14.116 -17.167 1.00 0.38 H new ATOM 0 HB ILE A 103 -19.312 -11.903 -18.908 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.092 -11.547 -16.157 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -17.047 -11.671 -17.559 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.757 -11.331 -16.977 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -21.120 -12.949 -17.624 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.176 -12.781 -16.125 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.557 -9.307 -17.052 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -18.237 -9.765 -18.632 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.298 -9.639 -17.208 1.00 0.35 H new ATOM 1666 N SER A 104 -19.853 -14.565 -19.992 1.00 0.53 N ATOM 1667 CA SER A 104 -20.870 -15.402 -20.654 1.00 0.66 C ATOM 1668 C SER A 104 -20.479 -16.890 -20.642 1.00 0.72 C ATOM 1669 O SER A 104 -21.343 -17.766 -20.625 1.00 0.89 O ATOM 1670 CB SER A 104 -21.081 -14.929 -22.098 1.00 0.81 C ATOM 1671 OG SER A 104 -21.396 -13.541 -22.135 1.00 1.05 O ATOM 0 H SER A 104 -19.379 -13.913 -20.617 1.00 0.53 H new ATOM 0 HA SER A 104 -21.800 -15.297 -20.095 1.00 0.66 H new ATOM 0 HB2 SER A 104 -20.180 -15.118 -22.682 1.00 0.81 H new ATOM 0 HB3 SER A 104 -21.886 -15.502 -22.559 1.00 0.81 H new ATOM 0 HG SER A 104 -20.581 -13.025 -22.307 1.00 1.05 H new ATOM 1677 N SER A 105 -19.172 -17.167 -20.647 1.00 0.80 N ATOM 1678 CA SER A 105 -18.663 -18.545 -20.637 1.00 1.13 C ATOM 1679 C SER A 105 -18.491 -19.076 -19.201 1.00 1.23 C ATOM 1680 O SER A 105 -17.914 -20.146 -19.004 1.00 1.61 O ATOM 1681 CB SER A 105 -17.322 -18.603 -21.379 1.00 1.48 C ATOM 1682 OG SER A 105 -17.443 -18.037 -22.682 1.00 1.63 O ATOM 0 H SER A 105 -18.443 -16.453 -20.658 1.00 0.80 H new ATOM 0 HA SER A 105 -19.393 -19.179 -21.141 1.00 1.13 H new ATOM 0 HB2 SER A 105 -16.563 -18.064 -20.812 1.00 1.48 H new ATOM 0 HB3 SER A 105 -16.988 -19.638 -21.456 1.00 1.48 H new ATOM 0 HG SER A 105 -17.154 -17.101 -22.660 1.00 1.63 H new ATOM 1688 N ALA A 106 -18.994 -18.334 -18.208 1.00 1.29 N ATOM 1689 CA ALA A 106 -18.901 -18.739 -16.801 1.00 1.59 C ATOM 1690 C ALA A 106 -20.057 -19.673 -16.448 1.00 2.40 C ATOM 1691 O ALA A 106 -21.219 -19.336 -16.760 1.00 3.00 O ATOM 1692 CB ALA A 106 -18.928 -17.505 -15.891 1.00 1.90 C ATOM 1693 OXT ALA A 106 -19.811 -20.750 -15.869 1.00 3.05 O ATOM 0 H ALA A 106 -19.472 -17.445 -18.354 1.00 1.29 H new ATOM 0 HA ALA A 106 -17.959 -19.267 -16.650 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -18.858 -17.819 -14.850 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -18.085 -16.857 -16.132 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -19.860 -16.960 -16.044 1.00 1.90 H new