USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 693 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 HIS : no HE2:sc= -0.555 K(o=-0.75,f=-2.3) USER MOD Set 1.2: A 96 MET CE :methyl 140:sc= -0.19 (180deg=-0.257) USER MOD Set 2.1: A 84 ASN : amide:sc= 1.45 K(o=2.4,f=-1.7!) USER MOD Set 2.2: A 86 TYR OH : rot 180:sc= 0.954 USER MOD Single : A 6 ASN : amide:sc= -0.0845 K(o=-0.085,f=-0.99) USER MOD Single : A 8 LYS NZ :NH3+ -111:sc= 1.23 (180deg=-0.943) USER MOD Single : A 9 HIS :FLIP no HD1:sc= 0.00519 F(o=-0.57,f=0.0052) USER MOD Single : A 22 SER OG : rot 41:sc= 0.211 USER MOD Single : A 24 HIS : no HE2:sc= 0.567 K(o=0.57,f=-5.8!) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0.22) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -81:sc= 0.48 USER MOD Single : A 31 ASN : amide:sc= -0.0649 K(o=-0.065,f=-0.67) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl -156:sc= -0.655 (180deg=-2.38) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0127) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 74:sc= 0.848 USER MOD Single : A 46 SER OG : rot 81:sc= 1.03 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.216 X(o=-0.22,f=-0.039) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0.00672 USER MOD Single : A 59 LYS NZ :NH3+ 155:sc= -0.109 (180deg=-0.569) USER MOD Single : A 63 CYS SG : rot 4:sc= -0.268 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 147:sc= 0.0281 (180deg=-0.0439) USER MOD Single : A 81 SER OG : rot 177:sc= 1.26 USER MOD Single : A 89 GLN : amide:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -175:sc= 1.84 (180deg=1.6) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 91:sc= 1.31 USER MOD Single : A 101 GLN : amide:sc= -0.0899 K(o=-0.09,f=-0.84) USER MOD Single : A 104 SER OG : rot 94:sc= 1.27 USER MOD Single : A 105 SER OG : rot 82:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -8.096 -10.609 -15.245 1.00 0.51 N ATOM 21 CA GLU A 2 -7.878 -9.634 -14.170 1.00 0.37 C ATOM 22 C GLU A 2 -7.502 -8.276 -14.768 1.00 0.34 C ATOM 23 O GLU A 2 -6.637 -8.191 -15.646 1.00 0.48 O ATOM 24 CB GLU A 2 -6.756 -10.113 -13.237 1.00 0.53 C ATOM 25 CG GLU A 2 -7.026 -11.522 -12.690 1.00 0.96 C ATOM 26 CD GLU A 2 -6.185 -12.562 -13.420 1.00 1.61 C ATOM 27 OE1 GLU A 2 -4.992 -12.704 -13.086 1.00 2.09 O ATOM 28 OE2 GLU A 2 -6.711 -13.233 -14.327 1.00 2.16 O ATOM 0 HA GLU A 2 -8.799 -9.535 -13.596 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -5.809 -10.109 -13.777 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -6.652 -9.415 -12.406 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -6.802 -11.551 -11.624 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -8.084 -11.762 -12.800 1.00 0.96 H new ATOM 35 N GLY A 3 -8.146 -7.219 -14.291 1.00 0.25 N ATOM 36 CA GLY A 3 -7.873 -5.867 -14.778 1.00 0.28 C ATOM 37 C GLY A 3 -8.822 -4.858 -14.144 1.00 0.22 C ATOM 38 O GLY A 3 -9.720 -5.221 -13.372 1.00 0.22 O ATOM 0 H GLY A 3 -8.862 -7.269 -13.567 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -6.842 -5.595 -14.550 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -7.978 -5.839 -15.863 1.00 0.28 H new ATOM 42 N PHE A 4 -8.621 -3.586 -14.479 1.00 0.24 N ATOM 43 CA PHE A 4 -9.452 -2.496 -13.961 1.00 0.21 C ATOM 44 C PHE A 4 -10.717 -2.353 -14.802 1.00 0.22 C ATOM 45 O PHE A 4 -10.695 -2.552 -16.020 1.00 0.27 O ATOM 46 CB PHE A 4 -8.678 -1.177 -13.968 1.00 0.23 C ATOM 47 CG PHE A 4 -7.751 -1.035 -12.788 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.271 -0.723 -11.543 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.388 -1.216 -12.943 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.429 -0.590 -10.455 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.545 -1.084 -11.852 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.065 -0.769 -10.608 1.00 0.41 C ATOM 0 H PHE A 4 -7.883 -3.280 -15.113 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.728 -2.736 -12.934 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.099 -1.106 -14.889 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.384 -0.347 -13.971 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.335 -0.584 -11.422 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -5.982 -1.460 -13.914 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -7.836 -0.346 -9.485 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.481 -1.227 -11.972 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.407 -0.663 -9.758 1.00 0.41 H new ATOM 62 N LEU A 5 -11.807 -1.998 -14.137 1.00 0.19 N ATOM 63 CA LEU A 5 -13.109 -1.814 -14.777 1.00 0.21 C ATOM 64 C LEU A 5 -13.888 -0.727 -14.038 1.00 0.20 C ATOM 65 O LEU A 5 -13.819 -0.630 -12.813 1.00 0.21 O ATOM 66 CB LEU A 5 -13.917 -3.128 -14.719 1.00 0.23 C ATOM 67 CG LEU A 5 -13.654 -4.052 -15.913 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.363 -5.393 -15.703 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.106 -3.408 -17.226 1.00 0.31 C ATOM 0 H LEU A 5 -11.817 -1.828 -13.131 1.00 0.19 H new ATOM 0 HA LEU A 5 -12.954 -1.526 -15.817 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.672 -3.657 -13.798 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -14.980 -2.892 -14.678 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.580 -4.223 -15.981 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.171 -6.044 -16.556 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -13.988 -5.865 -14.795 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.436 -5.226 -15.608 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -13.906 -4.089 -18.053 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.175 -3.198 -17.179 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.560 -2.477 -17.382 1.00 0.31 H new ATOM 81 N ASN A 6 -14.671 0.060 -14.770 1.00 0.22 N ATOM 82 CA ASN A 6 -15.509 1.097 -14.152 1.00 0.23 C ATOM 83 C ASN A 6 -16.823 0.437 -13.781 1.00 0.22 C ATOM 84 O ASN A 6 -17.411 -0.244 -14.611 1.00 0.26 O ATOM 85 CB ASN A 6 -15.748 2.278 -15.100 1.00 0.28 C ATOM 86 CG ASN A 6 -14.422 2.874 -15.571 1.00 0.72 C ATOM 87 OD1 ASN A 6 -13.862 2.448 -16.580 1.00 1.49 O ATOM 88 ND2 ASN A 6 -13.915 3.859 -14.845 1.00 1.24 N ATOM 0 H ASN A 6 -14.747 0.005 -15.786 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.009 1.507 -13.274 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -16.329 1.947 -15.961 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.336 3.043 -14.593 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -13.032 4.290 -15.117 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -14.408 4.186 -14.014 1.00 1.24 H new ATOM 95 N ARG A 7 -17.256 0.586 -12.534 1.00 0.23 N ATOM 96 CA ARG A 7 -18.491 -0.056 -12.067 1.00 0.24 C ATOM 97 C ARG A 7 -19.550 0.974 -11.665 1.00 0.25 C ATOM 98 O ARG A 7 -19.252 1.965 -11.001 1.00 0.32 O ATOM 99 CB ARG A 7 -18.173 -0.973 -10.880 1.00 0.28 C ATOM 100 CG ARG A 7 -19.393 -1.802 -10.466 1.00 0.34 C ATOM 101 CD ARG A 7 -19.074 -2.713 -9.278 1.00 0.54 C ATOM 102 NE ARG A 7 -20.055 -3.802 -9.187 1.00 0.95 N ATOM 103 CZ ARG A 7 -20.472 -4.288 -8.016 1.00 1.16 C ATOM 104 NH1 ARG A 7 -21.331 -3.602 -7.281 1.00 1.71 N ATOM 105 NH2 ARG A 7 -20.014 -5.454 -7.578 1.00 1.46 N ATOM 0 H ARG A 7 -16.776 1.142 -11.827 1.00 0.23 H new ATOM 0 HA ARG A 7 -18.900 -0.642 -12.890 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.352 -1.640 -11.144 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -17.837 -0.372 -10.035 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -20.215 -1.136 -10.205 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.727 -2.406 -11.310 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -18.072 -3.127 -9.388 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -19.079 -2.133 -8.355 1.00 0.54 H new ATOM 0 HE ARG A 7 -20.430 -4.200 -10.048 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -21.676 -2.700 -7.609 1.00 1.71 H new ATOM 0 HH12 ARG A 7 -21.649 -3.975 -6.386 1.00 1.71 H new ATOM 0 HH21 ARG A 7 -19.342 -5.980 -8.137 1.00 1.46 H new ATOM 0 HH22 ARG A 7 -20.334 -5.824 -6.683 1.00 1.46 H new ATOM 119 N LYS A 8 -20.792 0.692 -12.053 1.00 0.27 N ATOM 120 CA LYS A 8 -21.952 1.527 -11.737 1.00 0.29 C ATOM 121 C LYS A 8 -23.154 0.602 -11.609 1.00 0.29 C ATOM 122 O LYS A 8 -23.486 -0.109 -12.557 1.00 0.38 O ATOM 123 CB LYS A 8 -22.193 2.564 -12.841 1.00 0.36 C ATOM 124 CG LYS A 8 -23.369 3.503 -12.515 1.00 0.37 C ATOM 125 CD LYS A 8 -24.387 3.577 -13.669 1.00 0.50 C ATOM 126 CE LYS A 8 -25.740 2.960 -13.287 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.370 3.669 -12.135 1.00 1.02 N ATOM 0 H LYS A 8 -21.026 -0.134 -12.604 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.784 2.074 -10.809 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.288 3.155 -12.985 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.391 2.050 -13.782 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.870 3.156 -11.611 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -22.987 4.502 -12.304 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.532 4.618 -13.957 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -23.986 3.058 -14.540 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.410 2.996 -14.146 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.601 1.909 -13.034 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -26.368 3.047 -11.301 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -25.832 4.534 -11.923 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -27.350 3.921 -12.376 1.00 1.02 H new ATOM 141 N HIS A 9 -23.794 0.581 -10.446 1.00 0.43 N ATOM 142 CA HIS A 9 -24.944 -0.303 -10.236 1.00 0.52 C ATOM 143 C HIS A 9 -26.258 0.351 -10.666 1.00 0.58 C ATOM 144 O HIS A 9 -26.477 1.543 -10.461 1.00 0.73 O ATOM 145 CB HIS A 9 -25.020 -0.790 -8.778 1.00 0.68 C ATOM 146 CG HIS A 9 -25.088 0.287 -7.719 1.00 0.88 C ATOM 147 ND1 HIS A 9 -25.108 1.646 -7.779 1.00 1.21 N flip ATOM 148 CD2 HIS A 9 -25.144 -0.004 -6.381 1.00 1.22 C flip ATOM 149 CE1 HIS A 9 -25.175 2.120 -6.481 1.00 1.69 C flip ATOM 150 NE2 HIS A 9 -25.194 1.085 -5.660 1.00 1.75 N flip ATOM 0 H HIS A 9 -23.544 1.156 -9.641 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.793 -1.174 -10.874 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -25.898 -1.428 -8.675 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -24.148 -1.413 -8.578 1.00 0.68 H new ATOM 0 HD2 HIS A 9 -25.146 -1.005 -5.975 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -25.206 3.159 -6.189 1.00 1.69 H new ATOM 0 HE2 HIS A 9 -25.240 1.128 -4.642 1.00 1.75 H new ATOM 158 N GLU A 10 -27.122 -0.462 -11.268 1.00 0.60 N ATOM 159 CA GLU A 10 -28.435 -0.024 -11.743 1.00 0.73 C ATOM 160 C GLU A 10 -29.510 -0.423 -10.732 1.00 0.83 C ATOM 161 O GLU A 10 -30.431 0.345 -10.446 1.00 1.00 O ATOM 162 CB GLU A 10 -28.728 -0.658 -13.112 1.00 0.79 C ATOM 163 CG GLU A 10 -29.894 0.033 -13.822 1.00 1.28 C ATOM 164 CD GLU A 10 -29.550 1.482 -14.137 1.00 1.19 C ATOM 165 OE1 GLU A 10 -28.599 1.717 -14.906 1.00 1.52 O ATOM 166 OE2 GLU A 10 -30.237 2.385 -13.624 1.00 1.72 O ATOM 0 H GLU A 10 -26.932 -1.449 -11.442 1.00 0.60 H new ATOM 0 HA GLU A 10 -28.439 1.061 -11.849 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.837 -0.601 -13.737 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -28.958 -1.715 -12.981 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -30.131 -0.498 -14.744 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -30.784 -0.006 -13.193 1.00 1.28 H new ATOM 173 N TRP A 11 -29.380 -1.636 -10.189 1.00 0.82 N ATOM 174 CA TRP A 11 -30.320 -2.162 -9.203 1.00 0.96 C ATOM 175 C TRP A 11 -29.647 -3.277 -8.400 1.00 0.94 C ATOM 176 O TRP A 11 -28.935 -4.115 -8.960 1.00 0.84 O ATOM 177 CB TRP A 11 -31.584 -2.685 -9.900 1.00 1.08 C ATOM 178 CG TRP A 11 -32.575 -3.293 -8.946 1.00 1.26 C ATOM 179 CD1 TRP A 11 -33.257 -2.655 -7.953 1.00 1.54 C ATOM 180 CD2 TRP A 11 -32.972 -4.675 -8.888 1.00 1.26 C ATOM 181 NE1 TRP A 11 -34.052 -3.563 -7.315 1.00 1.67 N ATOM 182 CE2 TRP A 11 -33.906 -4.800 -7.857 1.00 1.51 C ATOM 183 CE3 TRP A 11 -32.630 -5.809 -9.617 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -34.496 -6.014 -7.540 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -33.214 -7.028 -9.309 1.00 1.35 C ATOM 186 CH2 TRP A 11 -34.139 -7.129 -8.282 1.00 1.53 C ATOM 0 H TRP A 11 -28.622 -2.277 -10.421 1.00 0.82 H new ATOM 0 HA TRP A 11 -30.613 -1.363 -8.522 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -32.061 -1.865 -10.437 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -31.300 -3.430 -10.643 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -33.181 -1.605 -7.711 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -34.672 -3.342 -6.536 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -31.912 -5.740 -10.421 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -35.214 -6.089 -6.737 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -32.945 -7.908 -9.875 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -34.586 -8.086 -8.058 1.00 1.53 H new ATOM 353 N SER A 22 -22.047 5.093 -7.670 1.00 1.32 N ATOM 354 CA SER A 22 -22.053 5.332 -9.122 1.00 0.74 C ATOM 355 C SER A 22 -20.714 4.941 -9.762 1.00 0.68 C ATOM 356 O SER A 22 -19.932 4.184 -9.182 1.00 1.69 O ATOM 357 CB SER A 22 -22.380 6.809 -9.391 1.00 1.62 C ATOM 358 OG SER A 22 -23.547 7.198 -8.679 1.00 1.86 O ATOM 0 HA SER A 22 -22.819 4.704 -9.577 1.00 0.74 H new ATOM 0 HB2 SER A 22 -21.539 7.434 -9.092 1.00 1.62 H new ATOM 0 HB3 SER A 22 -22.529 6.966 -10.459 1.00 1.62 H new ATOM 0 HG SER A 22 -23.530 6.804 -7.782 1.00 1.86 H new ATOM 364 N TRP A 23 -20.479 5.448 -10.973 1.00 0.69 N ATOM 365 CA TRP A 23 -19.263 5.165 -11.756 1.00 0.41 C ATOM 366 C TRP A 23 -17.976 5.342 -10.937 1.00 0.40 C ATOM 367 O TRP A 23 -17.550 6.466 -10.662 1.00 0.55 O ATOM 368 CB TRP A 23 -19.220 6.078 -12.996 1.00 0.43 C ATOM 369 CG TRP A 23 -20.126 5.607 -14.099 1.00 0.40 C ATOM 370 CD1 TRP A 23 -21.243 6.232 -14.583 1.00 0.45 C ATOM 371 CD2 TRP A 23 -19.979 4.388 -14.859 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.787 5.454 -15.568 1.00 0.42 N ATOM 373 CE2 TRP A 23 -21.040 4.328 -15.768 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.051 3.344 -14.851 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.191 3.265 -16.652 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.190 2.283 -15.729 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.252 2.242 -16.624 1.00 0.31 C ATOM 0 H TRP A 23 -21.130 6.073 -11.447 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.310 4.119 -12.058 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.504 7.090 -12.706 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -18.197 6.128 -13.369 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.631 7.181 -14.244 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.636 5.684 -16.084 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.223 3.365 -14.158 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.019 3.236 -17.344 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.467 1.481 -15.718 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.348 1.408 -17.303 1.00 0.31 H new ATOM 388 N HIS A 24 -17.362 4.215 -10.566 1.00 0.37 N ATOM 389 CA HIS A 24 -16.110 4.205 -9.797 1.00 0.45 C ATOM 390 C HIS A 24 -15.134 3.204 -10.417 1.00 0.36 C ATOM 391 O HIS A 24 -15.525 2.102 -10.811 1.00 0.34 O ATOM 392 CB HIS A 24 -16.360 3.869 -8.304 1.00 0.61 C ATOM 393 CG HIS A 24 -16.989 2.526 -8.038 1.00 1.18 C ATOM 394 ND1 HIS A 24 -18.304 2.245 -8.291 1.00 2.08 N ATOM 395 CD2 HIS A 24 -16.485 1.384 -7.507 1.00 1.66 C ATOM 396 CE1 HIS A 24 -18.603 1.020 -7.941 1.00 2.98 C ATOM 397 NE2 HIS A 24 -17.508 0.457 -7.452 1.00 2.74 N ATOM 0 H HIS A 24 -17.716 3.285 -10.789 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.676 5.204 -9.836 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -15.408 3.916 -7.775 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -17.000 4.641 -7.878 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -18.966 2.905 -8.700 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -15.466 1.227 -7.185 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -19.571 0.551 -8.034 1.00 2.98 H new ATOM 405 N ASN A 25 -13.862 3.593 -10.497 1.00 0.37 N ATOM 406 CA ASN A 25 -12.809 2.738 -11.057 1.00 0.35 C ATOM 407 C ASN A 25 -12.462 1.647 -10.036 1.00 0.34 C ATOM 408 O ASN A 25 -11.959 1.947 -8.951 1.00 0.55 O ATOM 409 CB ASN A 25 -11.575 3.595 -11.391 1.00 0.44 C ATOM 410 CG ASN A 25 -10.506 2.771 -12.114 1.00 0.99 C ATOM 411 OD1 ASN A 25 -9.658 2.147 -11.477 1.00 1.71 O ATOM 412 ND2 ASN A 25 -10.536 2.779 -13.439 1.00 1.49 N ATOM 0 H ASN A 25 -13.531 4.504 -10.178 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.153 2.264 -11.976 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -11.873 4.437 -12.016 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.158 4.010 -10.473 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -9.839 2.255 -13.968 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -11.256 3.309 -13.930 1.00 1.49 H new ATOM 419 N VAL A 26 -12.760 0.394 -10.378 1.00 0.22 N ATOM 420 CA VAL A 26 -12.516 -0.745 -9.485 1.00 0.21 C ATOM 421 C VAL A 26 -11.743 -1.852 -10.221 1.00 0.18 C ATOM 422 O VAL A 26 -11.582 -1.807 -11.441 1.00 0.23 O ATOM 423 CB VAL A 26 -13.871 -1.253 -8.935 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.483 -2.347 -9.818 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.729 -1.746 -7.494 1.00 0.31 C ATOM 0 H VAL A 26 -13.174 0.138 -11.274 1.00 0.22 H new ATOM 0 HA VAL A 26 -11.897 -0.432 -8.644 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.554 -0.404 -8.948 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.432 -2.671 -9.391 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -14.652 -1.954 -10.820 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -13.801 -3.195 -9.871 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.696 -2.097 -7.133 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.009 -2.564 -7.459 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.381 -0.929 -6.863 1.00 0.31 H new ATOM 435 N TYR A 27 -11.263 -2.841 -9.465 1.00 0.16 N ATOM 436 CA TYR A 27 -10.501 -3.969 -10.021 1.00 0.16 C ATOM 437 C TYR A 27 -11.318 -5.254 -9.882 1.00 0.19 C ATOM 438 O TYR A 27 -11.839 -5.552 -8.803 1.00 0.34 O ATOM 439 CB TYR A 27 -9.158 -4.093 -9.288 1.00 0.17 C ATOM 440 CG TYR A 27 -8.107 -4.854 -10.067 1.00 0.18 C ATOM 441 CD1 TYR A 27 -8.030 -6.234 -9.975 1.00 0.26 C ATOM 442 CD2 TYR A 27 -7.209 -4.169 -10.866 1.00 0.28 C ATOM 443 CE1 TYR A 27 -7.056 -6.922 -10.683 1.00 0.30 C ATOM 444 CE2 TYR A 27 -6.238 -4.855 -11.572 1.00 0.33 C ATOM 445 CZ TYR A 27 -6.163 -6.228 -11.478 1.00 0.29 C ATOM 446 OH TYR A 27 -5.197 -6.911 -12.186 1.00 0.37 O ATOM 0 H TYR A 27 -11.389 -2.886 -8.454 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.302 -3.797 -11.079 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.781 -3.094 -9.067 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.321 -4.591 -8.332 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -8.728 -6.774 -9.352 1.00 0.26 H new ATOM 0 HD2 TYR A 27 -7.267 -3.093 -10.939 1.00 0.28 H new ATOM 0 HE1 TYR A 27 -6.995 -7.998 -10.613 1.00 0.30 H new ATOM 0 HE2 TYR A 27 -5.540 -4.316 -12.196 1.00 0.33 H new ATOM 0 HH TYR A 27 -4.653 -6.274 -12.695 1.00 0.37 H new ATOM 456 N CYS A 28 -11.442 -6.003 -10.977 1.00 0.16 N ATOM 457 CA CYS A 28 -12.212 -7.252 -10.991 1.00 0.19 C ATOM 458 C CYS A 28 -11.324 -8.437 -11.385 1.00 0.19 C ATOM 459 O CYS A 28 -10.499 -8.330 -12.295 1.00 0.23 O ATOM 460 CB CYS A 28 -13.376 -7.128 -11.982 1.00 0.23 C ATOM 461 SG CYS A 28 -14.509 -5.790 -11.555 1.00 0.34 S ATOM 0 H CYS A 28 -11.017 -5.766 -11.873 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.600 -7.430 -9.988 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -12.980 -6.958 -12.983 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -13.925 -8.069 -12.012 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.327 -6.193 -10.628 1.00 0.34 H new ATOM 467 N VAL A 29 -11.504 -9.565 -10.690 1.00 0.21 N ATOM 468 CA VAL A 29 -10.742 -10.791 -10.949 1.00 0.24 C ATOM 469 C VAL A 29 -11.694 -11.984 -11.018 1.00 0.26 C ATOM 470 O VAL A 29 -12.380 -12.284 -10.044 1.00 0.38 O ATOM 471 CB VAL A 29 -9.708 -11.013 -9.836 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.001 -12.363 -9.990 1.00 0.37 C ATOM 473 CG2 VAL A 29 -8.691 -9.877 -9.821 1.00 0.33 C ATOM 0 H VAL A 29 -12.181 -9.654 -9.933 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.220 -10.692 -11.901 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.239 -11.023 -8.884 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.276 -12.488 -9.186 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -9.736 -13.166 -9.943 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.487 -12.397 -10.951 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -7.965 -10.049 -9.026 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.176 -9.837 -10.781 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.204 -8.932 -9.645 1.00 0.33 H new ATOM 483 N ILE A 30 -11.724 -12.661 -12.166 1.00 0.28 N ATOM 484 CA ILE A 30 -12.587 -13.835 -12.366 1.00 0.32 C ATOM 485 C ILE A 30 -11.767 -15.116 -12.178 1.00 0.35 C ATOM 486 O ILE A 30 -10.665 -15.240 -12.724 1.00 0.44 O ATOM 487 CB ILE A 30 -13.223 -13.806 -13.770 1.00 0.40 C ATOM 488 CG1 ILE A 30 -13.659 -12.379 -14.143 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.417 -14.763 -13.843 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.479 -12.354 -15.433 1.00 0.57 C ATOM 0 H ILE A 30 -11.158 -12.418 -12.979 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.389 -13.814 -11.628 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.471 -14.135 -14.487 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.248 -11.955 -13.330 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -12.777 -11.749 -14.261 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.851 -14.727 -14.842 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -14.083 -15.778 -13.628 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.167 -14.465 -13.110 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.767 -11.328 -15.661 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -13.881 -12.754 -16.252 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -15.374 -12.963 -15.307 1.00 0.57 H new ATOM 502 N ASN A 31 -12.307 -16.062 -11.407 1.00 0.46 N ATOM 503 CA ASN A 31 -11.634 -17.340 -11.146 1.00 0.58 C ATOM 504 C ASN A 31 -12.612 -18.504 -11.333 1.00 0.71 C ATOM 505 O ASN A 31 -12.902 -19.252 -10.397 1.00 1.20 O ATOM 506 CB ASN A 31 -11.023 -17.360 -9.730 1.00 0.73 C ATOM 507 CG ASN A 31 -10.137 -18.602 -9.538 1.00 0.93 C ATOM 508 OD1 ASN A 31 -9.388 -18.991 -10.438 1.00 1.27 O ATOM 509 ND2 ASN A 31 -10.219 -19.222 -8.369 1.00 1.47 N ATOM 0 H ASN A 31 -13.214 -15.968 -10.949 1.00 0.46 H new ATOM 0 HA ASN A 31 -10.821 -17.454 -11.863 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -10.433 -16.458 -9.571 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -11.819 -17.356 -8.985 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -9.651 -20.050 -8.190 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -10.850 -18.871 -7.649 1.00 1.47 H new ATOM 516 N ASN A 32 -13.091 -18.658 -12.564 1.00 0.85 N ATOM 517 CA ASN A 32 -14.010 -19.741 -12.955 1.00 1.00 C ATOM 518 C ASN A 32 -15.368 -19.673 -12.233 1.00 1.00 C ATOM 519 O ASN A 32 -15.509 -20.125 -11.093 1.00 1.97 O ATOM 520 CB ASN A 32 -13.339 -21.113 -12.717 1.00 1.24 C ATOM 521 CG ASN A 32 -14.009 -22.204 -13.559 1.00 1.73 C ATOM 522 OD1 ASN A 32 -14.192 -22.044 -14.770 1.00 2.06 O ATOM 523 ND2 ASN A 32 -14.370 -23.313 -12.930 1.00 2.52 N ATOM 0 H ASN A 32 -12.854 -18.031 -13.333 1.00 0.85 H new ATOM 0 HA ASN A 32 -14.220 -19.612 -14.017 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -12.280 -21.053 -12.969 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -13.401 -21.374 -11.661 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -14.815 -24.071 -13.447 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -14.202 -23.409 -11.928 1.00 2.52 H new ATOM 530 N GLN A 33 -16.367 -19.125 -12.932 1.00 0.75 N ATOM 531 CA GLN A 33 -17.753 -19.002 -12.438 1.00 0.67 C ATOM 532 C GLN A 33 -17.914 -18.015 -11.272 1.00 0.56 C ATOM 533 O GLN A 33 -19.059 -17.651 -10.941 1.00 0.71 O ATOM 534 CB GLN A 33 -18.318 -20.375 -12.045 1.00 0.83 C ATOM 535 CG GLN A 33 -18.220 -21.381 -13.202 1.00 1.46 C ATOM 536 CD GLN A 33 -19.290 -22.461 -13.061 1.00 1.85 C ATOM 537 OE1 GLN A 33 -20.172 -22.590 -13.910 1.00 2.11 O ATOM 538 NE2 GLN A 33 -19.211 -23.239 -11.997 1.00 2.67 N ATOM 0 H GLN A 33 -16.240 -18.747 -13.871 1.00 0.75 H new ATOM 0 HA GLN A 33 -18.324 -18.592 -13.271 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -17.774 -20.759 -11.182 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -19.360 -20.267 -11.743 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -18.340 -20.863 -14.154 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -17.231 -21.839 -13.211 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -18.464 -23.099 -11.317 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -19.897 -23.980 -11.855 1.00 2.67 H new ATOM 547 N GLU A 34 -16.798 -17.581 -10.649 1.00 0.53 N ATOM 548 CA GLU A 34 -16.862 -16.629 -9.534 1.00 0.49 C ATOM 549 C GLU A 34 -15.876 -15.482 -9.758 1.00 0.45 C ATOM 550 O GLU A 34 -14.755 -15.699 -10.226 1.00 0.64 O ATOM 551 CB GLU A 34 -16.579 -17.335 -8.201 1.00 0.61 C ATOM 552 CG GLU A 34 -15.208 -18.021 -8.177 1.00 1.25 C ATOM 553 CD GLU A 34 -15.016 -18.757 -6.860 1.00 1.42 C ATOM 554 OE1 GLU A 34 -15.559 -19.867 -6.705 1.00 1.79 O ATOM 555 OE2 GLU A 34 -14.316 -18.225 -5.979 1.00 1.89 O ATOM 0 H GLU A 34 -15.854 -17.874 -10.900 1.00 0.53 H new ATOM 0 HA GLU A 34 -17.869 -16.215 -9.490 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -16.632 -16.608 -7.391 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -17.356 -18.077 -8.015 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -15.128 -18.721 -9.009 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -14.419 -17.280 -8.307 1.00 1.25 H new ATOM 562 N MET A 35 -16.301 -14.263 -9.420 1.00 0.36 N ATOM 563 CA MET A 35 -15.468 -13.066 -9.575 1.00 0.35 C ATOM 564 C MET A 35 -15.303 -12.355 -8.233 1.00 0.32 C ATOM 565 O MET A 35 -16.219 -12.343 -7.408 1.00 0.42 O ATOM 566 CB MET A 35 -16.077 -12.115 -10.620 1.00 0.41 C ATOM 567 CG MET A 35 -17.356 -11.431 -10.128 1.00 0.43 C ATOM 568 SD MET A 35 -18.033 -10.285 -11.345 1.00 0.60 S ATOM 569 CE MET A 35 -16.717 -9.056 -11.453 1.00 1.25 C ATOM 0 H MET A 35 -17.226 -14.077 -9.033 1.00 0.36 H new ATOM 0 HA MET A 35 -14.483 -13.374 -9.926 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.342 -11.354 -10.884 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.297 -12.675 -11.529 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.103 -12.189 -9.892 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.145 -10.893 -9.204 1.00 0.43 H new ATOM 0 HE1 MET A 35 -17.130 -8.110 -11.803 1.00 1.25 H new ATOM 0 HE2 MET A 35 -16.269 -8.915 -10.469 1.00 1.25 H new ATOM 0 HE3 MET A 35 -15.955 -9.400 -12.152 1.00 1.25 H new ATOM 579 N GLY A 36 -14.130 -11.762 -8.027 1.00 0.27 N ATOM 580 CA GLY A 36 -13.809 -11.037 -6.799 1.00 0.29 C ATOM 581 C GLY A 36 -13.581 -9.557 -7.100 1.00 0.25 C ATOM 582 O GLY A 36 -12.846 -9.209 -8.033 1.00 0.28 O ATOM 0 H GLY A 36 -13.372 -11.770 -8.709 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.621 -11.148 -6.081 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -12.917 -11.463 -6.340 1.00 0.29 H new ATOM 586 N PHE A 37 -14.219 -8.694 -6.307 1.00 0.24 N ATOM 587 CA PHE A 37 -14.103 -7.235 -6.460 1.00 0.25 C ATOM 588 C PHE A 37 -13.040 -6.697 -5.497 1.00 0.25 C ATOM 589 O PHE A 37 -13.205 -6.772 -4.277 1.00 0.40 O ATOM 590 CB PHE A 37 -15.457 -6.566 -6.181 1.00 0.30 C ATOM 591 CG PHE A 37 -16.448 -6.744 -7.313 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.481 -5.841 -8.367 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.335 -7.810 -7.295 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.397 -6.005 -9.396 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.248 -7.973 -8.324 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.250 -7.070 -9.399 1.00 0.33 C ATOM 0 H PHE A 37 -14.830 -8.981 -5.542 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.805 -7.006 -7.483 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.880 -6.981 -5.266 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.301 -5.502 -6.006 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.792 -5.009 -8.386 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.314 -8.515 -6.477 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.435 -5.285 -10.200 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -18.954 -8.790 -8.299 1.00 0.45 H new ATOM 0 HZ PHE A 37 -18.926 -7.218 -10.228 1.00 0.33 H new ATOM 606 N TYR A 38 -11.952 -6.158 -6.049 1.00 0.20 N ATOM 607 CA TYR A 38 -10.845 -5.612 -5.248 1.00 0.21 C ATOM 608 C TYR A 38 -10.553 -4.155 -5.628 1.00 0.21 C ATOM 609 O TYR A 38 -11.177 -3.592 -6.532 1.00 0.23 O ATOM 610 CB TYR A 38 -9.585 -6.458 -5.464 1.00 0.23 C ATOM 611 CG TYR A 38 -9.772 -7.921 -5.125 1.00 0.27 C ATOM 612 CD1 TYR A 38 -9.695 -8.340 -3.808 1.00 0.42 C ATOM 613 CD2 TYR A 38 -10.012 -8.842 -6.129 1.00 0.27 C ATOM 614 CE1 TYR A 38 -9.856 -9.679 -3.496 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.175 -10.180 -5.817 1.00 0.35 C ATOM 616 CZ TYR A 38 -10.095 -10.594 -4.503 1.00 0.44 C ATOM 617 OH TYR A 38 -10.251 -11.926 -4.195 1.00 0.55 O ATOM 0 H TYR A 38 -11.809 -6.086 -7.056 1.00 0.20 H new ATOM 0 HA TYR A 38 -11.137 -5.642 -4.198 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.274 -6.372 -6.505 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.777 -6.053 -4.855 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -9.509 -7.622 -3.023 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -10.072 -8.516 -7.157 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -9.795 -10.007 -2.469 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.364 -10.899 -6.600 1.00 0.35 H new ATOM 0 HH TYR A 38 -10.413 -12.435 -5.017 1.00 0.55 H new ATOM 627 N LYS A 39 -9.581 -3.554 -4.932 1.00 0.25 N ATOM 628 CA LYS A 39 -9.175 -2.166 -5.185 1.00 0.29 C ATOM 629 C LYS A 39 -8.232 -2.099 -6.390 1.00 0.28 C ATOM 630 O LYS A 39 -8.412 -1.268 -7.276 1.00 0.33 O ATOM 631 CB LYS A 39 -8.494 -1.592 -3.933 1.00 0.36 C ATOM 632 CG LYS A 39 -7.953 -0.171 -4.142 1.00 0.70 C ATOM 633 CD LYS A 39 -9.079 0.850 -4.304 1.00 1.15 C ATOM 634 CE LYS A 39 -8.520 2.259 -4.506 1.00 1.82 C ATOM 635 NZ LYS A 39 -7.928 2.426 -5.863 1.00 2.51 N ATOM 0 H LYS A 39 -9.058 -4.010 -4.185 1.00 0.25 H new ATOM 0 HA LYS A 39 -10.059 -1.569 -5.411 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -9.207 -1.586 -3.109 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.674 -2.247 -3.640 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -7.329 0.108 -3.293 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -7.316 -0.152 -5.026 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -9.702 0.577 -5.156 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -9.720 0.833 -3.422 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -9.316 2.990 -4.363 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -7.761 2.462 -3.750 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -7.620 3.411 -5.989 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -7.110 1.792 -5.965 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -8.640 2.191 -6.584 1.00 2.51 H new ATOM 649 N ASP A 40 -7.225 -2.976 -6.410 1.00 0.28 N ATOM 650 CA ASP A 40 -6.240 -3.024 -7.501 1.00 0.32 C ATOM 651 C ASP A 40 -5.678 -4.445 -7.657 1.00 0.33 C ATOM 652 O ASP A 40 -6.183 -5.398 -7.054 1.00 0.32 O ATOM 653 CB ASP A 40 -5.098 -2.014 -7.241 1.00 0.38 C ATOM 654 CG ASP A 40 -4.099 -2.525 -6.196 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.532 -3.060 -5.152 1.00 0.84 O ATOM 656 OD2 ASP A 40 -2.879 -2.413 -6.433 1.00 0.94 O ATOM 0 H ASP A 40 -7.067 -3.669 -5.678 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.739 -2.749 -8.430 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.573 -1.813 -8.175 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.522 -1.068 -6.904 1.00 0.38 H new ATOM 661 N ALA A 41 -4.612 -4.571 -8.456 1.00 0.40 N ATOM 662 CA ALA A 41 -3.952 -5.862 -8.694 1.00 0.45 C ATOM 663 C ALA A 41 -3.306 -6.399 -7.411 1.00 0.45 C ATOM 664 O ALA A 41 -3.336 -7.605 -7.156 1.00 0.47 O ATOM 665 CB ALA A 41 -2.892 -5.716 -9.789 1.00 0.55 C ATOM 0 H ALA A 41 -4.185 -3.789 -8.952 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.711 -6.574 -9.018 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.409 -6.678 -9.958 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.366 -5.381 -10.712 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -2.146 -4.985 -9.478 1.00 0.55 H new ATOM 671 N LYS A 42 -2.734 -5.504 -6.593 1.00 0.46 N ATOM 672 CA LYS A 42 -2.101 -5.902 -5.324 1.00 0.48 C ATOM 673 C LYS A 42 -3.159 -6.441 -4.360 1.00 0.43 C ATOM 674 O LYS A 42 -2.962 -7.475 -3.717 1.00 0.47 O ATOM 675 CB LYS A 42 -1.374 -4.715 -4.678 1.00 0.54 C ATOM 676 CG LYS A 42 -0.157 -4.275 -5.498 1.00 0.77 C ATOM 677 CD LYS A 42 0.734 -3.322 -4.691 1.00 1.12 C ATOM 678 CE LYS A 42 1.112 -2.066 -5.488 1.00 1.96 C ATOM 679 NZ LYS A 42 2.426 -2.225 -6.168 1.00 2.76 N ATOM 0 H LYS A 42 -2.696 -4.503 -6.785 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.370 -6.682 -5.538 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -2.065 -3.878 -4.576 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -1.054 -4.989 -3.672 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.419 -5.150 -5.799 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.489 -3.782 -6.412 1.00 0.77 H new ATOM 0 HD2 LYS A 42 0.216 -3.028 -3.778 1.00 1.12 H new ATOM 0 HD3 LYS A 42 1.641 -3.845 -4.388 1.00 1.12 H new ATOM 0 HE2 LYS A 42 0.340 -1.859 -6.229 1.00 1.96 H new ATOM 0 HE3 LYS A 42 1.150 -1.207 -4.818 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 2.650 -1.358 -6.697 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 3.166 -2.398 -5.458 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 2.382 -3.030 -6.825 1.00 2.76 H new ATOM 693 N SER A 43 -4.294 -5.740 -4.283 1.00 0.38 N ATOM 694 CA SER A 43 -5.411 -6.136 -3.421 1.00 0.38 C ATOM 695 C SER A 43 -5.968 -7.497 -3.853 1.00 0.39 C ATOM 696 O SER A 43 -6.340 -8.317 -3.014 1.00 0.45 O ATOM 697 CB SER A 43 -6.509 -5.074 -3.475 1.00 0.37 C ATOM 698 OG SER A 43 -5.985 -3.804 -3.120 1.00 1.04 O ATOM 0 H SER A 43 -4.464 -4.886 -4.814 1.00 0.38 H new ATOM 0 HA SER A 43 -5.049 -6.223 -2.396 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.934 -5.032 -4.478 1.00 0.37 H new ATOM 0 HB3 SER A 43 -7.318 -5.343 -2.796 1.00 0.37 H new ATOM 0 HG SER A 43 -5.436 -3.460 -3.855 1.00 1.04 H new ATOM 704 N ALA A 44 -6.012 -7.731 -5.167 1.00 0.37 N ATOM 705 CA ALA A 44 -6.504 -8.988 -5.727 1.00 0.43 C ATOM 706 C ALA A 44 -5.509 -10.122 -5.469 1.00 0.51 C ATOM 707 O ALA A 44 -5.889 -11.199 -5.008 1.00 0.59 O ATOM 708 CB ALA A 44 -6.743 -8.830 -7.231 1.00 0.43 C ATOM 0 H ALA A 44 -5.708 -7.056 -5.869 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.445 -9.240 -5.239 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -7.110 -9.771 -7.642 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.482 -8.047 -7.402 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.808 -8.560 -7.722 1.00 0.43 H new ATOM 714 N ALA A 45 -4.233 -9.861 -5.761 1.00 0.54 N ATOM 715 CA ALA A 45 -3.155 -10.842 -5.566 1.00 0.64 C ATOM 716 C ALA A 45 -3.024 -11.244 -4.094 1.00 0.68 C ATOM 717 O ALA A 45 -2.825 -12.416 -3.778 1.00 0.76 O ATOM 718 CB ALA A 45 -1.830 -10.262 -6.069 1.00 0.69 C ATOM 0 H ALA A 45 -3.915 -8.968 -6.138 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.404 -11.737 -6.137 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -1.034 -10.992 -5.922 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -1.915 -10.026 -7.130 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.596 -9.354 -5.513 1.00 0.69 H new ATOM 724 N SER A 46 -3.137 -10.263 -3.201 1.00 0.65 N ATOM 725 CA SER A 46 -3.035 -10.499 -1.756 1.00 0.73 C ATOM 726 C SER A 46 -4.351 -11.059 -1.193 1.00 0.74 C ATOM 727 O SER A 46 -4.340 -11.936 -0.330 1.00 0.84 O ATOM 728 CB SER A 46 -2.673 -9.189 -1.044 1.00 0.75 C ATOM 729 OG SER A 46 -1.525 -8.591 -1.643 1.00 1.21 O ATOM 0 H SER A 46 -3.301 -9.288 -3.452 1.00 0.65 H new ATOM 0 HA SER A 46 -2.252 -11.237 -1.581 1.00 0.73 H new ATOM 0 HB2 SER A 46 -3.515 -8.499 -1.091 1.00 0.75 H new ATOM 0 HB3 SER A 46 -2.479 -9.384 0.011 1.00 0.75 H new ATOM 0 HG SER A 46 -1.793 -8.106 -2.452 1.00 1.21 H new ATOM 735 N GLY A 47 -5.478 -10.543 -1.683 1.00 0.70 N ATOM 736 CA GLY A 47 -6.806 -10.977 -1.236 1.00 0.74 C ATOM 737 C GLY A 47 -7.325 -10.070 -0.120 1.00 0.75 C ATOM 738 O GLY A 47 -7.892 -10.540 0.868 1.00 0.88 O ATOM 0 H GLY A 47 -5.499 -9.816 -2.398 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -7.501 -10.962 -2.076 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -6.757 -12.006 -0.881 1.00 0.74 H new ATOM 742 N ILE A 48 -7.129 -8.761 -0.295 1.00 0.67 N ATOM 743 CA ILE A 48 -7.569 -7.754 0.678 1.00 0.72 C ATOM 744 C ILE A 48 -9.033 -7.388 0.406 1.00 0.75 C ATOM 745 O ILE A 48 -9.378 -6.994 -0.710 1.00 0.75 O ATOM 746 CB ILE A 48 -6.672 -6.510 0.576 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.242 -6.847 1.012 1.00 0.78 C ATOM 748 CG2 ILE A 48 -7.217 -5.353 1.420 1.00 0.82 C ATOM 749 CD1 ILE A 48 -4.243 -5.811 0.498 1.00 0.97 C ATOM 0 H ILE A 48 -6.662 -8.368 -1.112 1.00 0.67 H new ATOM 0 HA ILE A 48 -7.489 -8.157 1.688 1.00 0.72 H new ATOM 0 HB ILE A 48 -6.665 -6.193 -0.467 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -5.193 -6.893 2.100 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -4.969 -7.834 0.639 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -6.558 -4.490 1.324 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -8.215 -5.087 1.072 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -7.266 -5.657 2.466 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -3.239 -6.080 0.825 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -4.275 -5.784 -0.591 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -4.502 -4.829 0.893 1.00 0.97 H new ATOM 761 N PRO A 49 -9.915 -7.523 1.416 1.00 0.84 N ATOM 762 CA PRO A 49 -11.351 -7.212 1.262 1.00 0.93 C ATOM 763 C PRO A 49 -11.631 -5.709 1.129 1.00 0.93 C ATOM 764 O PRO A 49 -11.503 -4.947 2.089 1.00 1.08 O ATOM 765 CB PRO A 49 -11.988 -7.786 2.529 1.00 1.07 C ATOM 766 CG PRO A 49 -10.893 -7.814 3.544 1.00 1.06 C ATOM 767 CD PRO A 49 -9.602 -7.995 2.782 1.00 0.92 C ATOM 0 HA PRO A 49 -11.756 -7.639 0.345 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -12.820 -7.168 2.865 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -12.385 -8.785 2.351 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -10.876 -6.889 4.121 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -11.042 -8.629 4.252 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -8.793 -7.416 3.227 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -9.284 -9.038 2.780 1.00 0.92 H new ATOM 775 N TYR A 50 -12.029 -5.297 -0.073 1.00 0.87 N ATOM 776 CA TYR A 50 -12.357 -3.895 -0.370 1.00 0.91 C ATOM 777 C TYR A 50 -13.880 -3.671 -0.293 1.00 1.12 C ATOM 778 O TYR A 50 -14.372 -2.574 -0.551 1.00 1.91 O ATOM 779 CB TYR A 50 -11.832 -3.540 -1.772 1.00 0.92 C ATOM 780 CG TYR A 50 -12.099 -2.107 -2.186 1.00 0.94 C ATOM 781 CD1 TYR A 50 -11.547 -1.060 -1.468 1.00 1.02 C ATOM 782 CD2 TYR A 50 -12.897 -1.839 -3.289 1.00 1.13 C ATOM 783 CE1 TYR A 50 -11.793 0.247 -1.850 1.00 1.13 C ATOM 784 CE2 TYR A 50 -13.140 -0.530 -3.668 1.00 1.24 C ATOM 785 CZ TYR A 50 -12.589 0.506 -2.948 1.00 1.17 C ATOM 786 OH TYR A 50 -12.832 1.806 -3.326 1.00 1.34 O ATOM 0 H TYR A 50 -12.135 -5.922 -0.872 1.00 0.87 H new ATOM 0 HA TYR A 50 -11.883 -3.248 0.368 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -10.758 -3.722 -1.803 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -12.290 -4.209 -2.500 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -10.924 -1.263 -0.609 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -13.329 -2.653 -3.853 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -11.363 1.064 -1.290 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -13.761 -0.322 -4.527 1.00 1.24 H new ATOM 0 HH TYR A 50 -13.409 1.814 -4.118 1.00 1.34 H new ATOM 796 N HIS A 51 -14.620 -4.722 0.064 1.00 1.28 N ATOM 797 CA HIS A 51 -16.082 -4.671 0.175 1.00 1.53 C ATOM 798 C HIS A 51 -16.555 -5.802 1.094 1.00 1.61 C ATOM 799 O HIS A 51 -15.747 -6.615 1.557 1.00 2.07 O ATOM 800 CB HIS A 51 -16.719 -4.815 -1.230 1.00 2.01 C ATOM 801 CG HIS A 51 -17.642 -3.687 -1.597 1.00 2.54 C ATOM 802 ND1 HIS A 51 -18.738 -3.845 -2.408 1.00 3.19 N ATOM 803 CD2 HIS A 51 -17.638 -2.369 -1.271 1.00 2.89 C ATOM 804 CE1 HIS A 51 -19.367 -2.707 -2.578 1.00 3.87 C ATOM 805 NE2 HIS A 51 -18.721 -1.777 -1.893 1.00 3.74 N ATOM 0 H HIS A 51 -14.223 -5.635 0.285 1.00 1.28 H new ATOM 0 HA HIS A 51 -16.388 -3.714 0.598 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -15.925 -4.879 -1.974 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -17.272 -5.753 -1.273 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -16.917 -1.872 -0.639 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -20.256 -2.555 -3.172 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -18.978 -0.792 -1.834 1.00 3.74 H new ATOM 813 N SER A 52 -17.861 -5.865 1.344 1.00 1.60 N ATOM 814 CA SER A 52 -18.442 -6.912 2.191 1.00 1.96 C ATOM 815 C SER A 52 -18.680 -8.172 1.344 1.00 1.85 C ATOM 816 O SER A 52 -18.165 -9.248 1.653 1.00 2.45 O ATOM 817 CB SER A 52 -19.751 -6.409 2.825 1.00 2.44 C ATOM 818 OG SER A 52 -19.712 -4.995 3.026 1.00 2.65 O ATOM 0 H SER A 52 -18.541 -5.202 0.972 1.00 1.60 H new ATOM 0 HA SER A 52 -17.755 -7.161 2.999 1.00 1.96 H new ATOM 0 HB2 SER A 52 -20.593 -6.665 2.182 1.00 2.44 H new ATOM 0 HB3 SER A 52 -19.914 -6.911 3.779 1.00 2.44 H new ATOM 0 HG SER A 52 -20.555 -4.698 3.428 1.00 2.65 H new ATOM 824 N GLU A 53 -19.421 -8.008 0.247 1.00 1.45 N ATOM 825 CA GLU A 53 -19.702 -9.093 -0.693 1.00 1.37 C ATOM 826 C GLU A 53 -18.654 -9.051 -1.806 1.00 1.08 C ATOM 827 O GLU A 53 -18.906 -8.529 -2.893 1.00 1.24 O ATOM 828 CB GLU A 53 -21.114 -8.932 -1.276 1.00 1.73 C ATOM 829 CG GLU A 53 -22.192 -9.275 -0.241 1.00 2.39 C ATOM 830 CD GLU A 53 -23.033 -8.054 0.121 1.00 2.88 C ATOM 831 OE1 GLU A 53 -22.471 -6.947 0.251 1.00 3.23 O ATOM 832 OE2 GLU A 53 -24.263 -8.204 0.276 1.00 3.46 O ATOM 0 H GLU A 53 -19.844 -7.117 -0.015 1.00 1.45 H new ATOM 0 HA GLU A 53 -19.656 -10.055 -0.182 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -21.252 -7.907 -1.620 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -21.225 -9.578 -2.147 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -22.839 -10.059 -0.635 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -21.721 -9.672 0.658 1.00 2.39 H new ATOM 839 N VAL A 54 -17.460 -9.567 -1.501 1.00 0.84 N ATOM 840 CA VAL A 54 -16.332 -9.569 -2.444 1.00 0.66 C ATOM 841 C VAL A 54 -16.501 -10.636 -3.538 1.00 0.55 C ATOM 842 O VAL A 54 -16.379 -10.321 -4.724 1.00 0.49 O ATOM 843 CB VAL A 54 -14.991 -9.780 -1.693 1.00 0.81 C ATOM 844 CG1 VAL A 54 -13.898 -8.902 -2.294 1.00 0.77 C ATOM 845 CG2 VAL A 54 -15.122 -9.485 -0.197 1.00 1.34 C ATOM 0 H VAL A 54 -17.246 -9.993 -0.599 1.00 0.84 H new ATOM 0 HA VAL A 54 -16.317 -8.594 -2.931 1.00 0.66 H new ATOM 0 HB VAL A 54 -14.720 -10.829 -1.808 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -12.964 -9.063 -1.755 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -13.760 -9.160 -3.344 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -14.188 -7.854 -2.213 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -14.161 -9.645 0.291 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -15.432 -8.450 -0.056 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -15.866 -10.150 0.241 1.00 1.34 H new ATOM 855 N PRO A 55 -16.777 -11.915 -3.169 1.00 0.62 N ATOM 856 CA PRO A 55 -16.939 -13.001 -4.148 1.00 0.59 C ATOM 857 C PRO A 55 -18.372 -13.081 -4.688 1.00 0.58 C ATOM 858 O PRO A 55 -19.299 -13.462 -3.964 1.00 0.83 O ATOM 859 CB PRO A 55 -16.564 -14.252 -3.354 1.00 0.76 C ATOM 860 CG PRO A 55 -16.814 -13.920 -1.909 1.00 0.87 C ATOM 861 CD PRO A 55 -16.937 -12.416 -1.787 1.00 0.83 C ATOM 0 HA PRO A 55 -16.322 -12.860 -5.035 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -17.164 -15.106 -3.667 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -15.520 -14.519 -3.517 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -17.725 -14.406 -1.559 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -15.997 -14.287 -1.287 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -17.903 -12.130 -1.371 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -16.172 -12.008 -1.126 1.00 0.83 H new ATOM 869 N VAL A 56 -18.538 -12.726 -5.962 1.00 0.41 N ATOM 870 CA VAL A 56 -19.839 -12.746 -6.639 1.00 0.43 C ATOM 871 C VAL A 56 -19.869 -13.895 -7.652 1.00 0.42 C ATOM 872 O VAL A 56 -18.877 -14.149 -8.345 1.00 0.43 O ATOM 873 CB VAL A 56 -20.071 -11.396 -7.333 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.399 -11.373 -8.093 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.028 -10.257 -6.308 1.00 0.63 C ATOM 0 H VAL A 56 -17.771 -12.415 -6.558 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.637 -12.905 -5.913 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.270 -11.255 -8.059 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.528 -10.402 -8.571 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.397 -12.154 -8.853 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.220 -11.547 -7.397 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.194 -9.306 -6.814 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -20.806 -10.411 -5.560 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.053 -10.243 -5.820 1.00 0.63 H new ATOM 885 N SER A 57 -20.999 -14.595 -7.711 1.00 0.47 N ATOM 886 CA SER A 57 -21.180 -15.738 -8.597 1.00 0.48 C ATOM 887 C SER A 57 -21.663 -15.311 -9.990 1.00 0.46 C ATOM 888 O SER A 57 -22.559 -14.469 -10.124 1.00 0.59 O ATOM 889 CB SER A 57 -22.188 -16.700 -7.963 1.00 0.61 C ATOM 890 OG SER A 57 -22.203 -16.586 -6.539 1.00 0.91 O ATOM 0 H SER A 57 -21.818 -14.383 -7.142 1.00 0.47 H new ATOM 0 HA SER A 57 -20.216 -16.231 -8.727 1.00 0.48 H new ATOM 0 HB2 SER A 57 -23.184 -16.494 -8.355 1.00 0.61 H new ATOM 0 HB3 SER A 57 -21.940 -17.724 -8.244 1.00 0.61 H new ATOM 0 HG SER A 57 -22.858 -17.213 -6.168 1.00 0.91 H new ATOM 896 N LEU A 58 -21.081 -15.932 -11.015 1.00 0.44 N ATOM 897 CA LEU A 58 -21.430 -15.691 -12.418 1.00 0.49 C ATOM 898 C LEU A 58 -21.895 -17.008 -13.042 1.00 0.60 C ATOM 899 O LEU A 58 -21.392 -17.429 -14.090 1.00 0.89 O ATOM 900 CB LEU A 58 -20.219 -15.153 -13.192 1.00 0.67 C ATOM 901 CG LEU A 58 -19.768 -13.793 -12.670 1.00 0.70 C ATOM 902 CD1 LEU A 58 -18.489 -13.358 -13.381 1.00 0.86 C ATOM 903 CD2 LEU A 58 -20.869 -12.745 -12.853 1.00 0.60 C ATOM 0 H LEU A 58 -20.344 -16.626 -10.895 1.00 0.44 H new ATOM 0 HA LEU A 58 -22.226 -14.948 -12.467 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.395 -15.862 -13.116 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -20.471 -15.070 -14.249 1.00 0.67 H new ATOM 0 HG LEU A 58 -19.564 -13.882 -11.603 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -18.175 -12.386 -13.002 1.00 0.86 H new ATOM 0 HD12 LEU A 58 -17.703 -14.091 -13.197 1.00 0.86 H new ATOM 0 HD13 LEU A 58 -18.675 -13.287 -14.453 1.00 0.86 H new ATOM 0 HD21 LEU A 58 -20.523 -11.784 -12.473 1.00 0.60 H new ATOM 0 HD22 LEU A 58 -21.110 -12.651 -13.912 1.00 0.60 H new ATOM 0 HD23 LEU A 58 -21.759 -13.053 -12.304 1.00 0.60 H new ATOM 915 N LYS A 59 -22.857 -17.656 -12.386 1.00 0.70 N ATOM 916 CA LYS A 59 -23.408 -18.930 -12.850 1.00 0.90 C ATOM 917 C LYS A 59 -24.466 -18.657 -13.927 1.00 0.87 C ATOM 918 O LYS A 59 -25.641 -18.423 -13.619 1.00 0.95 O ATOM 919 CB LYS A 59 -24.002 -19.704 -11.655 1.00 1.13 C ATOM 920 CG LYS A 59 -23.686 -21.200 -11.732 1.00 1.41 C ATOM 921 CD LYS A 59 -24.414 -21.867 -12.906 1.00 1.78 C ATOM 922 CE LYS A 59 -24.787 -23.319 -12.592 1.00 2.18 C ATOM 923 NZ LYS A 59 -25.763 -23.407 -11.468 1.00 2.83 N ATOM 0 H LYS A 59 -23.276 -17.315 -11.521 1.00 0.70 H new ATOM 0 HA LYS A 59 -22.622 -19.545 -13.289 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -23.606 -19.296 -10.725 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -25.082 -19.562 -11.631 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -22.611 -21.341 -11.842 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -23.977 -21.683 -10.799 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -25.316 -21.303 -13.142 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -23.779 -21.838 -13.791 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -25.212 -23.786 -13.481 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -23.887 -23.879 -12.337 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -26.305 -24.291 -11.547 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -25.252 -23.394 -10.562 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -26.414 -22.597 -11.509 1.00 2.83 H new ATOM 937 N GLU A 60 -24.024 -18.652 -15.192 1.00 0.89 N ATOM 938 CA GLU A 60 -24.891 -18.377 -16.347 1.00 0.93 C ATOM 939 C GLU A 60 -25.455 -16.956 -16.250 1.00 0.71 C ATOM 940 O GLU A 60 -26.672 -16.742 -16.285 1.00 0.82 O ATOM 941 CB GLU A 60 -26.019 -19.411 -16.450 1.00 1.20 C ATOM 942 CG GLU A 60 -25.454 -20.830 -16.540 1.00 1.43 C ATOM 943 CD GLU A 60 -26.527 -21.812 -16.988 1.00 1.80 C ATOM 944 OE1 GLU A 60 -27.721 -21.547 -16.743 1.00 2.04 O ATOM 945 OE2 GLU A 60 -26.182 -22.845 -17.594 1.00 2.33 O ATOM 0 H GLU A 60 -23.053 -18.839 -15.444 1.00 0.89 H new ATOM 0 HA GLU A 60 -24.294 -18.454 -17.256 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -26.672 -19.330 -15.581 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -26.630 -19.202 -17.328 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -24.620 -20.850 -17.242 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -25.061 -21.132 -15.569 1.00 1.43 H new ATOM 952 N ALA A 61 -24.544 -15.989 -16.123 1.00 0.51 N ATOM 953 CA ALA A 61 -24.896 -14.571 -16.012 1.00 0.35 C ATOM 954 C ALA A 61 -25.165 -13.986 -17.395 1.00 0.35 C ATOM 955 O ALA A 61 -24.446 -14.281 -18.356 1.00 0.43 O ATOM 956 CB ALA A 61 -23.758 -13.794 -15.333 1.00 0.31 C ATOM 0 H ALA A 61 -23.540 -16.167 -16.094 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.798 -14.483 -15.406 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -24.031 -12.742 -15.256 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.586 -14.198 -14.335 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.848 -13.890 -15.925 1.00 0.31 H new ATOM 962 N ILE A 62 -26.191 -13.145 -17.489 1.00 0.34 N ATOM 963 CA ILE A 62 -26.556 -12.500 -18.749 1.00 0.37 C ATOM 964 C ILE A 62 -25.758 -11.207 -18.908 1.00 0.31 C ATOM 965 O ILE A 62 -25.659 -10.400 -17.978 1.00 0.31 O ATOM 966 CB ILE A 62 -28.062 -12.205 -18.786 1.00 0.46 C ATOM 967 CG1 ILE A 62 -28.878 -13.492 -18.592 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.451 -11.525 -20.103 1.00 0.57 C ATOM 969 CD1 ILE A 62 -28.672 -14.482 -19.740 1.00 1.27 C ATOM 0 H ILE A 62 -26.789 -12.892 -16.702 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.321 -13.172 -19.574 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.289 -11.526 -17.964 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -28.593 -13.963 -17.652 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -29.936 -13.242 -18.515 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.523 -11.326 -20.107 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -27.907 -10.586 -20.202 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.201 -12.179 -20.938 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -29.268 -15.377 -19.560 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -28.983 -14.021 -20.678 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -27.618 -14.754 -19.801 1.00 1.27 H new ATOM 981 N CYS A 63 -25.188 -11.018 -20.088 1.00 0.34 N ATOM 982 CA CYS A 63 -24.387 -9.835 -20.392 1.00 0.33 C ATOM 983 C CYS A 63 -24.794 -9.281 -21.757 1.00 0.34 C ATOM 984 O CYS A 63 -25.103 -10.043 -22.679 1.00 0.52 O ATOM 985 CB CYS A 63 -22.895 -10.204 -20.370 1.00 0.37 C ATOM 986 SG CYS A 63 -21.834 -8.812 -19.947 1.00 0.53 S ATOM 0 H CYS A 63 -25.265 -11.677 -20.863 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.562 -9.065 -19.641 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.735 -11.007 -19.651 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -22.607 -10.590 -21.348 1.00 0.37 H new ATOM 0 HG CYS A 63 -22.568 -7.780 -19.655 1.00 0.53 H new ATOM 992 N GLU A 64 -24.809 -7.954 -21.879 1.00 0.26 N ATOM 993 CA GLU A 64 -25.190 -7.283 -23.125 1.00 0.29 C ATOM 994 C GLU A 64 -24.254 -6.103 -23.389 1.00 0.24 C ATOM 995 O GLU A 64 -23.720 -5.500 -22.458 1.00 0.36 O ATOM 996 CB GLU A 64 -26.652 -6.804 -23.030 1.00 0.33 C ATOM 997 CG GLU A 64 -27.517 -7.423 -24.133 1.00 0.81 C ATOM 998 CD GLU A 64 -27.318 -6.677 -25.444 1.00 1.41 C ATOM 999 OE1 GLU A 64 -26.365 -7.003 -26.178 1.00 1.83 O ATOM 1000 OE2 GLU A 64 -28.126 -5.776 -25.751 1.00 1.96 O ATOM 0 H GLU A 64 -24.559 -7.316 -21.123 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.104 -7.984 -23.955 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -27.060 -7.068 -22.054 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -26.686 -5.717 -23.106 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -27.257 -8.474 -24.262 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -28.567 -7.388 -23.843 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.072 -5.769 -24.661 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.211 -4.652 -25.061 1.00 0.32 C ATOM 1009 C VAL A 65 -23.979 -3.334 -24.945 1.00 0.31 C ATOM 1010 O VAL A 65 -25.137 -3.238 -25.367 1.00 0.43 O ATOM 1011 CB VAL A 65 -22.725 -4.845 -26.510 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -21.667 -3.799 -26.873 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.157 -6.250 -26.720 1.00 0.39 C ATOM 0 H VAL A 65 -24.511 -6.257 -25.442 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.346 -4.623 -24.399 1.00 0.32 H new ATOM 0 HB VAL A 65 -23.588 -4.718 -27.164 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.339 -3.955 -27.901 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.094 -2.801 -26.776 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -20.814 -3.896 -26.201 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -21.822 -6.357 -27.752 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -21.314 -6.406 -26.047 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -22.930 -6.990 -26.511 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.329 -2.321 -24.379 1.00 0.25 N ATOM 1024 CA ALA A 66 -23.924 -1.000 -24.206 1.00 0.31 C ATOM 1025 C ALA A 66 -23.256 0.004 -25.141 1.00 0.34 C ATOM 1026 O ALA A 66 -22.172 0.548 -24.847 1.00 0.36 O ATOM 1027 CB ALA A 66 -23.811 -0.546 -22.750 1.00 0.36 C ATOM 0 H ALA A 66 -22.374 -2.393 -24.027 1.00 0.25 H new ATOM 0 HA ALA A 66 -24.982 -1.057 -24.460 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.260 0.441 -22.641 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -24.332 -1.255 -22.106 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -22.760 -0.500 -22.464 1.00 0.36 H new ATOM 1033 N LEU A 67 -23.942 0.241 -26.258 1.00 0.55 N ATOM 1034 CA LEU A 67 -23.534 1.188 -27.297 1.00 0.71 C ATOM 1035 C LEU A 67 -24.614 2.282 -27.392 1.00 0.89 C ATOM 1036 O LEU A 67 -24.765 2.961 -28.410 1.00 1.22 O ATOM 1037 CB LEU A 67 -23.375 0.452 -28.640 1.00 0.76 C ATOM 1038 CG LEU A 67 -21.907 0.123 -28.934 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -21.797 -0.845 -30.111 1.00 1.38 C ATOM 1040 CD2 LEU A 67 -21.106 1.398 -29.212 1.00 1.39 C ATOM 0 H LEU A 67 -24.820 -0.232 -26.472 1.00 0.55 H new ATOM 0 HA LEU A 67 -22.574 1.642 -27.052 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -23.958 -0.469 -28.622 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -23.778 1.069 -29.443 1.00 0.76 H new ATOM 0 HG LEU A 67 -21.486 -0.358 -28.051 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -20.747 -1.066 -30.304 1.00 1.38 H new ATOM 0 HD12 LEU A 67 -22.324 -1.769 -29.873 1.00 1.38 H new ATOM 0 HD13 LEU A 67 -22.241 -0.392 -30.997 1.00 1.38 H new ATOM 0 HD21 LEU A 67 -20.068 1.138 -29.418 1.00 1.39 H new ATOM 0 HD22 LEU A 67 -21.529 1.913 -30.075 1.00 1.39 H new ATOM 0 HD23 LEU A 67 -21.150 2.053 -28.342 1.00 1.39 H new ATOM 1052 N ASP A 68 -25.365 2.421 -26.295 1.00 0.90 N ATOM 1053 CA ASP A 68 -26.457 3.389 -26.146 1.00 1.14 C ATOM 1054 C ASP A 68 -26.257 4.185 -24.848 1.00 0.87 C ATOM 1055 O ASP A 68 -26.544 5.384 -24.786 1.00 1.00 O ATOM 1056 CB ASP A 68 -27.824 2.659 -26.129 1.00 1.59 C ATOM 1057 CG ASP A 68 -28.015 1.781 -24.877 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -27.086 1.024 -24.523 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -29.091 1.857 -24.240 1.00 2.62 O ATOM 0 H ASP A 68 -25.226 1.848 -25.463 1.00 0.90 H new ATOM 0 HA ASP A 68 -26.449 4.076 -26.992 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -28.625 3.396 -26.176 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -27.910 2.037 -27.020 1.00 1.59 H new ATOM 1064 N TYR A 69 -25.766 3.494 -23.815 1.00 0.81 N ATOM 1065 CA TYR A 69 -25.520 4.085 -22.504 1.00 0.69 C ATOM 1066 C TYR A 69 -24.241 4.931 -22.519 1.00 0.97 C ATOM 1067 O TYR A 69 -23.140 4.406 -22.354 1.00 1.47 O ATOM 1068 CB TYR A 69 -25.407 2.975 -21.447 1.00 0.58 C ATOM 1069 CG TYR A 69 -25.700 3.486 -20.059 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -27.010 3.616 -19.630 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -24.659 3.807 -19.207 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -27.276 4.065 -18.350 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.925 4.261 -17.928 1.00 0.64 C ATOM 1074 CZ TYR A 69 -26.240 4.459 -17.531 1.00 0.76 C ATOM 1075 OH TYR A 69 -26.505 4.829 -16.227 1.00 0.97 O ATOM 0 H TYR A 69 -25.528 2.504 -23.869 1.00 0.81 H new ATOM 0 HA TYR A 69 -26.357 4.737 -22.254 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -26.100 2.170 -21.691 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -24.403 2.550 -21.473 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -27.824 3.367 -20.295 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -23.637 3.703 -19.541 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -28.294 4.107 -17.992 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -24.115 4.460 -17.243 1.00 0.64 H new ATOM 0 HH TYR A 69 -25.669 5.079 -15.781 1.00 0.97 H new ATOM 1173 N HIS A 74 -16.590 2.166 -24.833 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.529 1.042 -24.911 1.00 0.38 C ATOM 1175 C HIS A 74 -17.948 0.614 -23.505 1.00 0.30 C ATOM 1176 O HIS A 74 -17.097 0.402 -22.626 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.881 -0.147 -25.656 1.00 0.64 C ATOM 1178 CG HIS A 74 -17.254 -0.224 -27.112 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -16.382 0.049 -28.136 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -18.418 -0.550 -27.728 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -16.961 -0.102 -29.302 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -18.214 -0.470 -29.092 1.00 1.53 N ATOM 0 HA HIS A 74 -18.413 1.361 -25.464 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.797 -0.070 -25.571 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -17.174 -1.075 -25.165 1.00 0.64 H new ATOM 0 HD1 HIS A 74 -15.411 0.332 -28.007 1.00 1.30 H new ATOM 0 HD2 HIS A 74 -19.341 -0.824 -27.239 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -16.496 0.048 -30.265 1.00 1.47 H new ATOM 1190 N VAL A 75 -19.261 0.468 -23.303 1.00 0.26 N ATOM 1191 CA VAL A 75 -19.821 0.043 -22.016 1.00 0.23 C ATOM 1192 C VAL A 75 -20.551 -1.285 -22.230 1.00 0.22 C ATOM 1193 O VAL A 75 -20.951 -1.605 -23.352 1.00 0.26 O ATOM 1194 CB VAL A 75 -20.788 1.133 -21.488 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.512 0.683 -20.206 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.042 2.450 -21.242 1.00 0.31 C ATOM 0 H VAL A 75 -19.963 0.640 -24.023 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.034 -0.094 -21.275 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.543 1.294 -22.257 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.180 1.475 -19.868 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.091 -0.217 -20.412 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -20.778 0.472 -19.429 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.741 3.200 -20.872 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.256 2.291 -20.504 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.598 2.797 -22.175 1.00 0.31 H new ATOM 1206 N PHE A 76 -20.747 -2.052 -21.162 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.467 -3.323 -21.246 1.00 0.23 C ATOM 1208 C PHE A 76 -22.318 -3.508 -19.994 1.00 0.22 C ATOM 1209 O PHE A 76 -21.930 -3.106 -18.895 1.00 0.27 O ATOM 1210 CB PHE A 76 -20.523 -4.515 -21.498 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.530 -4.826 -20.394 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -18.289 -4.205 -20.374 1.00 0.26 C ATOM 1213 CD2 PHE A 76 -19.847 -5.761 -19.422 1.00 0.27 C ATOM 1214 CE1 PHE A 76 -17.370 -4.522 -19.383 1.00 0.28 C ATOM 1215 CE2 PHE A 76 -18.933 -6.071 -18.428 1.00 0.29 C ATOM 1216 CZ PHE A 76 -17.694 -5.453 -18.410 1.00 0.29 C ATOM 0 H PHE A 76 -20.418 -1.817 -20.226 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.129 -3.291 -22.112 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.131 -5.403 -21.673 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -19.967 -4.324 -22.416 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -18.038 -3.475 -21.129 1.00 0.26 H new ATOM 0 HD2 PHE A 76 -20.810 -6.250 -19.439 1.00 0.27 H new ATOM 0 HE1 PHE A 76 -16.402 -4.043 -19.371 1.00 0.28 H new ATOM 0 HE2 PHE A 76 -19.187 -6.794 -17.667 1.00 0.29 H new ATOM 0 HZ PHE A 76 -16.980 -5.697 -17.637 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.502 -4.079 -20.181 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.460 -4.288 -19.099 1.00 0.28 C ATOM 1228 C LYS A 77 -24.358 -5.719 -18.578 1.00 0.31 C ATOM 1229 O LYS A 77 -24.395 -6.676 -19.353 1.00 0.58 O ATOM 1230 CB LYS A 77 -25.882 -3.984 -19.610 1.00 0.36 C ATOM 1231 CG LYS A 77 -25.863 -2.906 -20.709 1.00 1.20 C ATOM 1232 CD LYS A 77 -27.268 -2.400 -21.062 1.00 1.33 C ATOM 1233 CE LYS A 77 -27.206 -1.337 -22.174 1.00 1.76 C ATOM 1234 NZ LYS A 77 -28.536 -0.728 -22.448 1.00 1.95 N ATOM 0 H LYS A 77 -23.827 -4.411 -21.089 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.234 -3.613 -18.273 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.333 -4.896 -20.000 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.505 -3.650 -18.780 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -25.251 -2.067 -20.379 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -25.392 -3.313 -21.604 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -27.889 -3.235 -21.386 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -27.740 -1.977 -20.175 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -26.503 -0.555 -21.887 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -26.822 -1.792 -23.087 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -28.412 0.266 -22.726 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -29.003 -1.247 -23.218 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -29.123 -0.777 -21.591 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.220 -5.850 -17.265 1.00 0.23 N ATOM 1249 CA LEU A 78 -24.097 -7.150 -16.607 1.00 0.24 C ATOM 1250 C LEU A 78 -25.325 -7.414 -15.734 1.00 0.29 C ATOM 1251 O LEU A 78 -25.583 -6.684 -14.774 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.820 -7.173 -15.746 1.00 0.30 C ATOM 1253 CG LEU A 78 -21.919 -8.367 -16.067 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -20.823 -8.493 -15.008 1.00 0.86 C ATOM 1255 CD2 LEU A 78 -22.717 -9.670 -16.166 1.00 0.30 C ATOM 0 H LEU A 78 -24.190 -5.058 -16.623 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.033 -7.931 -17.364 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -22.263 -6.249 -15.903 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -23.097 -7.204 -14.692 1.00 0.30 H new ATOM 0 HG LEU A 78 -21.462 -8.189 -17.040 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -20.186 -9.345 -15.244 1.00 0.86 H new ATOM 0 HD12 LEU A 78 -20.223 -7.583 -14.996 1.00 0.86 H new ATOM 0 HD13 LEU A 78 -21.278 -8.640 -14.029 1.00 0.86 H new ATOM 0 HD21 LEU A 78 -22.041 -10.494 -16.395 1.00 0.30 H new ATOM 0 HD22 LEU A 78 -23.217 -9.864 -15.217 1.00 0.30 H new ATOM 0 HD23 LEU A 78 -23.462 -9.581 -16.957 1.00 0.30 H new ATOM 1267 N ARG A 79 -26.060 -8.470 -16.064 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.246 -8.877 -15.321 1.00 0.40 C ATOM 1269 C ARG A 79 -26.985 -10.256 -14.724 1.00 0.45 C ATOM 1270 O ARG A 79 -27.116 -11.280 -15.398 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.457 -8.885 -16.250 1.00 0.50 C ATOM 1272 CG ARG A 79 -28.829 -7.455 -16.642 1.00 1.11 C ATOM 1273 CD ARG A 79 -30.209 -7.376 -17.298 1.00 1.51 C ATOM 1274 NE ARG A 79 -31.274 -7.552 -16.303 1.00 1.91 N ATOM 1275 CZ ARG A 79 -32.027 -8.650 -16.265 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -32.863 -8.905 -17.262 1.00 2.99 N ATOM 1277 NH2 ARG A 79 -31.922 -9.490 -15.243 1.00 2.93 N ATOM 0 H ARG A 79 -25.848 -9.072 -16.860 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.459 -8.177 -14.513 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.236 -9.469 -17.143 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -29.301 -9.366 -15.756 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -28.813 -6.821 -15.755 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -28.079 -7.061 -17.328 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -30.325 -6.413 -17.794 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -30.295 -8.143 -18.067 1.00 1.51 H new ATOM 0 HE ARG A 79 -31.442 -6.812 -15.621 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -32.926 -8.262 -18.051 1.00 2.99 H new ATOM 0 HH12 ARG A 79 -33.443 -9.744 -17.240 1.00 2.99 H new ATOM 0 HH21 ARG A 79 -31.265 -9.294 -14.488 1.00 2.93 H new ATOM 0 HH22 ARG A 79 -32.498 -10.331 -15.213 1.00 2.93 H new ATOM 1291 N LEU A 80 -26.567 -10.258 -13.462 1.00 0.54 N ATOM 1292 CA LEU A 80 -26.224 -11.489 -12.738 1.00 0.68 C ATOM 1293 C LEU A 80 -27.455 -12.357 -12.480 1.00 0.84 C ATOM 1294 O LEU A 80 -28.590 -11.869 -12.464 1.00 1.06 O ATOM 1295 CB LEU A 80 -25.542 -11.138 -11.409 1.00 0.82 C ATOM 1296 CG LEU A 80 -24.354 -10.187 -11.607 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -23.504 -10.123 -10.344 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -23.491 -10.618 -12.793 1.00 1.26 C ATOM 0 H LEU A 80 -26.455 -9.409 -12.908 1.00 0.54 H new ATOM 0 HA LEU A 80 -25.539 -12.063 -13.362 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -26.268 -10.677 -10.739 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -25.198 -12.052 -10.925 1.00 0.82 H new ATOM 0 HG LEU A 80 -24.756 -9.196 -11.817 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -22.666 -9.444 -10.503 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -24.112 -9.762 -9.514 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -23.125 -11.118 -10.110 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -22.658 -9.925 -12.908 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -23.106 -11.622 -12.617 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -24.093 -10.615 -13.701 1.00 1.26 H new ATOM 1310 N SER A 81 -27.211 -13.653 -12.276 1.00 1.01 N ATOM 1311 CA SER A 81 -28.273 -14.638 -12.023 1.00 1.23 C ATOM 1312 C SER A 81 -28.825 -14.536 -10.590 1.00 1.40 C ATOM 1313 O SER A 81 -29.319 -15.520 -10.038 1.00 1.92 O ATOM 1314 CB SER A 81 -27.733 -16.050 -12.289 1.00 1.52 C ATOM 1315 OG SER A 81 -26.760 -16.029 -13.330 1.00 2.18 O ATOM 0 H SER A 81 -26.273 -14.053 -12.281 1.00 1.01 H new ATOM 0 HA SER A 81 -29.100 -14.426 -12.700 1.00 1.23 H new ATOM 0 HB2 SER A 81 -27.290 -16.453 -11.378 1.00 1.52 H new ATOM 0 HB3 SER A 81 -28.553 -16.713 -12.564 1.00 1.52 H new ATOM 0 HG SER A 81 -26.393 -16.929 -13.453 1.00 2.18 H new ATOM 1321 N ASP A 82 -28.751 -13.340 -10.006 1.00 1.33 N ATOM 1322 CA ASP A 82 -29.256 -13.085 -8.649 1.00 1.76 C ATOM 1323 C ASP A 82 -29.989 -11.737 -8.597 1.00 1.31 C ATOM 1324 O ASP A 82 -30.120 -11.127 -7.537 1.00 1.74 O ATOM 1325 CB ASP A 82 -28.096 -13.111 -7.635 1.00 2.76 C ATOM 1326 CG ASP A 82 -28.617 -13.286 -6.207 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -29.559 -14.079 -6.004 1.00 3.77 O ATOM 1328 OD2 ASP A 82 -28.085 -12.638 -5.286 1.00 3.98 O ATOM 0 H ASP A 82 -28.342 -12.521 -10.455 1.00 1.33 H new ATOM 0 HA ASP A 82 -29.963 -13.871 -8.385 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -27.414 -13.925 -7.879 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -27.525 -12.185 -7.706 1.00 2.76 H new ATOM 1333 N GLY A 83 -30.483 -11.280 -9.750 1.00 1.09 N ATOM 1334 CA GLY A 83 -31.216 -10.016 -9.841 1.00 1.53 C ATOM 1335 C GLY A 83 -30.279 -8.819 -10.010 1.00 1.31 C ATOM 1336 O GLY A 83 -30.625 -7.864 -10.731 1.00 1.88 O ATOM 0 H GLY A 83 -30.387 -11.771 -10.639 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -31.906 -10.057 -10.684 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -31.818 -9.881 -8.942 1.00 1.53 H new ATOM 1340 N ASN A 84 -29.107 -8.870 -9.329 1.00 0.93 N ATOM 1341 CA ASN A 84 -28.099 -7.791 -9.360 1.00 0.71 C ATOM 1342 C ASN A 84 -27.839 -7.283 -10.790 1.00 0.62 C ATOM 1343 O ASN A 84 -27.540 -8.071 -11.693 1.00 0.65 O ATOM 1344 CB ASN A 84 -26.774 -8.278 -8.748 1.00 0.84 C ATOM 1345 CG ASN A 84 -26.947 -8.709 -7.289 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -27.718 -9.618 -6.988 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -26.222 -8.074 -6.382 1.00 1.32 N ATOM 0 H ASN A 84 -28.838 -9.662 -8.745 1.00 0.93 H new ATOM 0 HA ASN A 84 -28.499 -6.965 -8.772 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -26.390 -9.115 -9.331 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -26.032 -7.482 -8.806 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -26.293 -8.335 -5.398 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -25.592 -7.324 -6.667 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.966 -5.965 -10.979 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.761 -5.315 -12.282 1.00 0.55 C ATOM 1356 C GLU A 85 -26.657 -4.257 -12.182 1.00 0.47 C ATOM 1357 O GLU A 85 -26.793 -3.277 -11.440 1.00 0.60 O ATOM 1358 CB GLU A 85 -29.070 -4.658 -12.735 1.00 0.70 C ATOM 1359 CG GLU A 85 -30.094 -5.700 -13.194 1.00 1.16 C ATOM 1360 CD GLU A 85 -31.192 -5.059 -14.033 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -31.117 -3.837 -14.274 1.00 1.43 O ATOM 1362 OE2 GLU A 85 -32.132 -5.766 -14.452 1.00 1.39 O ATOM 0 H GLU A 85 -28.214 -5.316 -10.232 1.00 0.59 H new ATOM 0 HA GLU A 85 -27.458 -6.067 -13.011 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.487 -4.074 -11.915 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.866 -3.964 -13.550 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -29.594 -6.474 -13.775 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -30.535 -6.188 -12.325 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.567 -4.453 -12.933 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.433 -3.516 -12.934 1.00 0.31 C ATOM 1371 C TYR A 86 -24.002 -3.165 -14.363 1.00 0.29 C ATOM 1372 O TYR A 86 -24.067 -3.998 -15.269 1.00 0.40 O ATOM 1373 CB TYR A 86 -23.213 -4.117 -12.205 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.486 -4.738 -10.847 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -24.167 -4.034 -9.863 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -23.021 -6.016 -10.571 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -24.376 -4.603 -8.622 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -23.238 -6.582 -9.328 1.00 0.62 C ATOM 1379 CZ TYR A 86 -23.914 -5.871 -8.361 1.00 0.63 C ATOM 1380 OH TYR A 86 -24.119 -6.424 -7.121 1.00 0.77 O ATOM 0 H TYR A 86 -25.444 -5.255 -13.551 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.772 -2.618 -12.417 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.770 -4.878 -12.847 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.467 -3.332 -12.080 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -24.534 -3.039 -10.068 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -22.488 -6.570 -11.329 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -24.902 -4.052 -7.857 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -22.879 -7.578 -9.116 1.00 0.62 H new ATOM 0 HH TYR A 86 -23.734 -7.325 -7.097 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.503 -1.941 -14.524 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.974 -1.442 -15.795 1.00 0.23 C ATOM 1392 C LEU A 87 -21.452 -1.371 -15.665 1.00 0.22 C ATOM 1393 O LEU A 87 -20.942 -0.904 -14.638 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.523 -0.044 -16.110 1.00 0.26 C ATOM 1395 CG LEU A 87 -25.045 -0.027 -16.230 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.516 1.347 -16.702 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.536 -1.124 -17.175 1.00 0.38 C ATOM 0 H LEU A 87 -23.453 -1.259 -13.768 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.273 -2.109 -16.604 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -23.216 0.649 -15.326 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -23.084 0.314 -17.041 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.471 -0.225 -15.246 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.603 1.350 -16.785 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -25.205 2.105 -15.983 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -25.077 1.568 -17.675 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.623 -1.088 -17.241 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.107 -0.970 -18.165 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.228 -2.098 -16.794 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.734 -1.848 -16.680 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.267 -1.855 -16.658 1.00 0.19 C ATOM 1411 C PHE A 88 -18.688 -1.171 -17.895 1.00 0.20 C ATOM 1412 O PHE A 88 -19.167 -1.373 -19.011 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.759 -3.292 -16.582 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.873 -3.896 -15.200 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.921 -3.618 -14.235 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.943 -4.719 -14.895 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -18.039 -4.163 -12.967 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -20.060 -5.265 -13.632 1.00 0.25 C ATOM 1419 CZ PHE A 88 -19.059 -5.013 -12.672 1.00 0.22 C ATOM 0 H PHE A 88 -21.142 -2.236 -17.530 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.940 -1.300 -15.779 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.320 -3.906 -17.286 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.716 -3.318 -16.897 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.085 -2.976 -14.471 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.688 -4.935 -15.646 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.315 -3.911 -12.206 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.912 -5.880 -13.382 1.00 0.25 H new ATOM 0 HZ PHE A 88 -19.102 -5.493 -11.706 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.633 -0.382 -17.685 1.00 0.23 N ATOM 1430 CA GLN A 89 -16.941 0.331 -18.767 1.00 0.26 C ATOM 1431 C GLN A 89 -15.541 -0.252 -18.949 1.00 0.22 C ATOM 1432 O GLN A 89 -14.802 -0.422 -17.969 1.00 0.25 O ATOM 1433 CB GLN A 89 -16.831 1.826 -18.446 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.734 2.676 -19.712 1.00 0.52 C ATOM 1435 CD GLN A 89 -16.590 4.146 -19.337 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -15.583 4.781 -19.649 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -17.589 4.687 -18.655 1.00 1.63 N ATOM 0 H GLN A 89 -17.232 -0.217 -16.762 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.516 0.211 -19.685 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -17.700 2.137 -17.866 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -15.953 2.000 -17.824 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -15.880 2.358 -20.310 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -17.623 2.533 -20.326 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -18.407 4.126 -18.416 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -17.541 5.665 -18.369 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.181 -0.527 -20.202 1.00 0.22 N ATOM 1447 CA ALA A 90 -13.863 -1.071 -20.546 1.00 0.24 C ATOM 1448 C ALA A 90 -13.038 0.007 -21.251 1.00 0.27 C ATOM 1449 O ALA A 90 -13.553 1.087 -21.565 1.00 0.32 O ATOM 1450 CB ALA A 90 -14.024 -2.291 -21.458 1.00 0.29 C ATOM 0 H ALA A 90 -15.791 -0.380 -21.007 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.349 -1.380 -19.636 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -13.041 -2.690 -21.709 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.605 -3.056 -20.943 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.541 -1.997 -22.372 1.00 0.29 H new ATOM 1456 N LYS A 91 -11.762 -0.284 -21.506 1.00 0.35 N ATOM 1457 CA LYS A 91 -10.877 0.669 -22.187 1.00 0.44 C ATOM 1458 C LYS A 91 -11.261 0.791 -23.658 1.00 0.49 C ATOM 1459 O LYS A 91 -11.380 1.898 -24.183 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.408 0.245 -22.062 1.00 0.65 C ATOM 1461 CG LYS A 91 -8.860 0.546 -20.662 1.00 1.26 C ATOM 1462 CD LYS A 91 -8.403 -0.723 -19.939 1.00 1.43 C ATOM 1463 CE LYS A 91 -9.230 -0.971 -18.674 1.00 1.86 C ATOM 1464 NZ LYS A 91 -8.955 -2.314 -18.095 1.00 2.29 N ATOM 0 H LYS A 91 -11.317 -1.167 -21.254 1.00 0.35 H new ATOM 0 HA LYS A 91 -10.995 1.640 -21.706 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.316 -0.821 -22.270 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -8.811 0.768 -22.809 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -8.022 1.239 -20.742 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -9.629 1.043 -20.071 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -8.493 -1.578 -20.609 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -7.349 -0.634 -19.676 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -9.005 -0.202 -17.935 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -10.291 -0.886 -18.909 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -9.592 -2.482 -17.290 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -9.112 -3.043 -18.820 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -7.968 -2.356 -17.770 1.00 2.29 H new ATOM 1478 N ASP A 92 -11.459 -0.349 -24.320 1.00 0.49 N ATOM 1479 CA ASP A 92 -11.836 -0.350 -25.741 1.00 0.66 C ATOM 1480 C ASP A 92 -12.758 -1.525 -26.090 1.00 0.59 C ATOM 1481 O ASP A 92 -13.246 -2.244 -25.211 1.00 0.75 O ATOM 1482 CB ASP A 92 -10.577 -0.362 -26.629 1.00 0.84 C ATOM 1483 CG ASP A 92 -10.752 0.597 -27.802 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -11.546 0.296 -28.713 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -10.112 1.667 -27.803 1.00 2.01 O ATOM 0 H ASP A 92 -11.367 -1.276 -23.904 1.00 0.49 H new ATOM 0 HA ASP A 92 -12.395 0.565 -25.934 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -9.705 -0.074 -26.041 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -10.393 -1.371 -26.999 1.00 0.84 H new ATOM 1490 N ASP A 93 -12.996 -1.689 -27.395 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.872 -2.738 -27.941 1.00 0.63 C ATOM 1492 C ASP A 93 -13.322 -4.144 -27.662 1.00 0.49 C ATOM 1493 O ASP A 93 -14.063 -5.035 -27.236 1.00 0.54 O ATOM 1494 CB ASP A 93 -14.028 -2.518 -29.457 1.00 0.83 C ATOM 1495 CG ASP A 93 -14.940 -3.569 -30.090 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -16.158 -3.540 -29.822 1.00 2.21 O ATOM 1497 OD2 ASP A 93 -14.445 -4.430 -30.844 1.00 2.13 O ATOM 0 H ASP A 93 -12.583 -1.093 -28.112 1.00 0.62 H new ATOM 0 HA ASP A 93 -14.842 -2.670 -27.449 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -14.436 -1.524 -29.640 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -13.048 -2.553 -29.933 1.00 0.83 H new ATOM 1502 N GLU A 94 -12.025 -4.338 -27.914 1.00 0.41 N ATOM 1503 CA GLU A 94 -11.366 -5.636 -27.704 1.00 0.41 C ATOM 1504 C GLU A 94 -11.559 -6.127 -26.264 1.00 0.36 C ATOM 1505 O GLU A 94 -12.007 -7.256 -26.038 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.868 -5.528 -28.027 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.629 -4.961 -29.432 1.00 1.21 C ATOM 1508 CD GLU A 94 -9.314 -3.471 -29.371 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -10.243 -2.670 -29.152 1.00 2.59 O ATOM 1510 OE2 GLU A 94 -8.137 -3.102 -29.539 1.00 2.43 O ATOM 0 H GLU A 94 -11.404 -3.609 -28.266 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.826 -6.361 -28.376 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -9.382 -4.889 -27.289 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -9.407 -6.513 -27.949 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -8.804 -5.492 -29.907 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -10.512 -5.125 -30.050 1.00 1.21 H new ATOM 1517 N GLU A 95 -11.233 -5.269 -25.294 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.373 -5.600 -23.871 1.00 0.29 C ATOM 1519 C GLU A 95 -12.845 -5.825 -23.496 1.00 0.24 C ATOM 1520 O GLU A 95 -13.170 -6.786 -22.801 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.788 -4.480 -23.006 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.266 -5.022 -21.671 1.00 0.42 C ATOM 1523 CD GLU A 95 -10.311 -3.950 -20.588 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -10.568 -2.771 -20.912 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -10.082 -4.287 -19.409 1.00 1.30 O ATOM 0 H GLU A 95 -10.868 -4.333 -25.469 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.824 -6.524 -23.688 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.977 -3.989 -23.543 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.551 -3.724 -22.821 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -10.865 -5.879 -21.364 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.243 -5.376 -21.794 1.00 0.42 H new ATOM 1532 N MET A 96 -13.727 -4.933 -23.967 1.00 0.24 N ATOM 1533 CA MET A 96 -15.174 -5.016 -23.690 1.00 0.22 C ATOM 1534 C MET A 96 -15.724 -6.404 -24.045 1.00 0.22 C ATOM 1535 O MET A 96 -16.339 -7.069 -23.209 1.00 0.23 O ATOM 1536 CB MET A 96 -15.912 -3.927 -24.485 1.00 0.26 C ATOM 1537 CG MET A 96 -17.438 -4.072 -24.396 1.00 0.39 C ATOM 1538 SD MET A 96 -18.127 -5.028 -25.762 1.00 0.94 S ATOM 1539 CE MET A 96 -17.937 -3.884 -27.139 1.00 0.77 C ATOM 0 H MET A 96 -13.463 -4.137 -24.548 1.00 0.24 H new ATOM 0 HA MET A 96 -15.336 -4.857 -22.624 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.620 -2.946 -24.110 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.605 -3.973 -25.530 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.699 -4.553 -23.453 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.893 -3.082 -24.385 1.00 0.39 H new ATOM 0 HE1 MET A 96 -17.625 -4.433 -28.028 1.00 0.77 H new ATOM 0 HE2 MET A 96 -18.888 -3.388 -27.334 1.00 0.77 H new ATOM 0 HE3 MET A 96 -17.183 -3.137 -26.890 1.00 0.77 H new ATOM 1549 N ASN A 97 -15.486 -6.835 -25.283 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.949 -8.145 -25.761 1.00 0.28 C ATOM 1551 C ASN A 97 -15.312 -9.289 -24.948 1.00 0.26 C ATOM 1552 O ASN A 97 -15.976 -10.281 -24.643 1.00 0.29 O ATOM 1553 CB ASN A 97 -15.627 -8.287 -27.259 1.00 0.35 C ATOM 1554 CG ASN A 97 -16.034 -9.664 -27.797 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -17.219 -9.973 -27.914 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -15.051 -10.491 -28.126 1.00 1.24 N ATOM 0 H ASN A 97 -14.972 -6.295 -25.980 1.00 0.25 H new ATOM 0 HA ASN A 97 -17.028 -8.211 -25.622 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -16.147 -7.509 -27.819 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -14.559 -8.135 -27.418 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -15.266 -11.419 -28.490 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -14.080 -10.199 -28.015 1.00 1.24 H new ATOM 1563 N THR A 98 -14.030 -9.139 -24.590 1.00 0.25 N ATOM 1564 CA THR A 98 -13.310 -10.151 -23.802 1.00 0.27 C ATOM 1565 C THR A 98 -13.959 -10.323 -22.415 1.00 0.23 C ATOM 1566 O THR A 98 -14.160 -11.448 -21.950 1.00 0.27 O ATOM 1567 CB THR A 98 -11.826 -9.759 -23.671 1.00 0.31 C ATOM 1568 OG1 THR A 98 -11.257 -9.556 -24.961 1.00 0.38 O ATOM 1569 CG2 THR A 98 -11.032 -10.832 -22.927 1.00 0.39 C ATOM 0 H THR A 98 -13.468 -8.324 -24.834 1.00 0.25 H new ATOM 0 HA THR A 98 -13.371 -11.108 -24.320 1.00 0.27 H new ATOM 0 HB THR A 98 -11.776 -8.833 -23.098 1.00 0.31 H new ATOM 0 HG1 THR A 98 -11.359 -8.616 -25.219 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.989 -10.526 -22.851 1.00 0.39 H new ATOM 0 HG22 THR A 98 -11.445 -10.963 -21.927 1.00 0.39 H new ATOM 0 HG23 THR A 98 -11.095 -11.774 -23.472 1.00 0.39 H new ATOM 1577 N TRP A 99 -14.307 -9.201 -21.771 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.956 -9.221 -20.447 1.00 0.20 C ATOM 1579 C TRP A 99 -16.349 -9.865 -20.546 1.00 0.21 C ATOM 1580 O TRP A 99 -16.702 -10.733 -19.740 1.00 0.24 O ATOM 1581 CB TRP A 99 -15.090 -7.790 -19.890 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.847 -7.277 -19.211 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.041 -6.258 -19.643 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.274 -7.741 -17.965 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.030 -6.082 -18.744 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.134 -6.962 -17.714 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.611 -8.732 -17.041 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.346 -7.148 -16.590 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -12.825 -8.923 -15.914 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.703 -8.139 -15.690 1.00 0.29 C ATOM 0 H TRP A 99 -14.151 -8.265 -22.144 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.335 -9.809 -19.772 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.350 -7.116 -20.707 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.917 -7.764 -19.180 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.183 -5.686 -20.548 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.293 -5.382 -18.833 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.482 -9.349 -17.203 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.474 -6.535 -16.419 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.090 -9.691 -15.203 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.103 -8.302 -14.807 1.00 0.29 H new ATOM 1601 N ILE A 100 -17.129 -9.430 -21.542 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.493 -9.936 -21.778 1.00 0.24 C ATOM 1603 C ILE A 100 -18.500 -11.454 -21.982 1.00 0.28 C ATOM 1604 O ILE A 100 -19.185 -12.182 -21.261 1.00 0.34 O ATOM 1605 CB ILE A 100 -19.097 -9.239 -23.010 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.441 -7.784 -22.679 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.343 -9.976 -23.524 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.928 -7.040 -23.915 1.00 0.29 C ATOM 0 H ILE A 100 -16.836 -8.717 -22.210 1.00 0.21 H new ATOM 0 HA ILE A 100 -19.095 -9.714 -20.897 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.349 -9.259 -23.803 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -20.210 -7.756 -21.907 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.563 -7.283 -22.272 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.741 -9.454 -24.394 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -20.074 -10.995 -23.803 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -21.099 -10.003 -22.740 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -20.165 -6.010 -23.650 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -19.148 -7.049 -24.676 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.821 -7.528 -24.305 1.00 0.29 H new ATOM 1620 N GLN A 101 -17.745 -11.924 -22.978 1.00 0.29 N ATOM 1621 CA GLN A 101 -17.671 -13.353 -23.301 1.00 0.35 C ATOM 1622 C GLN A 101 -17.112 -14.177 -22.134 1.00 0.36 C ATOM 1623 O GLN A 101 -17.537 -15.315 -21.922 1.00 0.43 O ATOM 1624 CB GLN A 101 -16.818 -13.553 -24.558 1.00 0.40 C ATOM 1625 CG GLN A 101 -17.473 -12.903 -25.786 1.00 0.48 C ATOM 1626 CD GLN A 101 -18.736 -13.662 -26.201 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -18.795 -14.891 -26.112 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -19.744 -12.936 -26.657 1.00 1.76 N ATOM 0 H GLN A 101 -17.172 -11.332 -23.579 1.00 0.29 H new ATOM 0 HA GLN A 101 -18.684 -13.710 -23.488 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -15.829 -13.124 -24.401 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -16.678 -14.619 -24.739 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -17.725 -11.866 -25.562 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -16.765 -12.888 -26.615 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -19.656 -11.921 -26.715 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -20.609 -13.391 -26.950 1.00 1.76 H new ATOM 1637 N ALA A 102 -16.176 -13.604 -21.373 1.00 0.32 N ATOM 1638 CA ALA A 102 -15.580 -14.296 -20.224 1.00 0.37 C ATOM 1639 C ALA A 102 -16.630 -14.521 -19.128 1.00 0.38 C ATOM 1640 O ALA A 102 -16.832 -15.647 -18.676 1.00 0.48 O ATOM 1641 CB ALA A 102 -14.401 -13.487 -19.670 1.00 0.38 C ATOM 0 H ALA A 102 -15.814 -12.664 -21.530 1.00 0.32 H new ATOM 0 HA ALA A 102 -15.214 -15.267 -20.557 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.968 -14.012 -18.818 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.645 -13.369 -20.446 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.751 -12.505 -19.352 1.00 0.38 H new ATOM 1647 N ILE A 103 -17.306 -13.444 -18.722 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.349 -13.505 -17.682 1.00 0.38 C ATOM 1649 C ILE A 103 -19.508 -14.413 -18.109 1.00 0.47 C ATOM 1650 O ILE A 103 -19.992 -15.226 -17.323 1.00 0.55 O ATOM 1651 CB ILE A 103 -18.886 -12.089 -17.405 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -17.796 -11.196 -16.800 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.117 -12.115 -16.484 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.014 -9.726 -17.160 1.00 0.35 C ATOM 0 H ILE A 103 -17.151 -12.509 -19.098 1.00 0.33 H new ATOM 0 HA ILE A 103 -17.902 -13.920 -16.778 1.00 0.38 H new ATOM 0 HB ILE A 103 -19.191 -11.671 -18.364 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -17.791 -11.310 -15.716 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -16.819 -11.519 -17.159 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.465 -11.096 -16.313 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -20.911 -12.696 -16.954 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -19.849 -12.571 -15.531 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.224 -9.121 -16.715 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -17.993 -9.610 -18.244 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -18.981 -9.397 -16.778 1.00 0.35 H new ATOM 1666 N SER A 104 -19.953 -14.259 -19.356 1.00 0.53 N ATOM 1667 CA SER A 104 -21.067 -15.053 -19.896 1.00 0.66 C ATOM 1668 C SER A 104 -20.724 -16.550 -19.983 1.00 0.72 C ATOM 1669 O SER A 104 -21.616 -17.373 -20.176 1.00 0.89 O ATOM 1670 CB SER A 104 -21.463 -14.520 -21.276 1.00 0.81 C ATOM 1671 OG SER A 104 -21.659 -13.109 -21.233 1.00 1.05 O ATOM 0 H SER A 104 -19.560 -13.589 -20.017 1.00 0.53 H new ATOM 0 HA SER A 104 -21.907 -14.954 -19.209 1.00 0.66 H new ATOM 0 HB2 SER A 104 -20.687 -14.763 -22.002 1.00 0.81 H new ATOM 0 HB3 SER A 104 -22.377 -15.009 -21.612 1.00 0.81 H new ATOM 0 HG SER A 104 -20.830 -12.655 -21.492 1.00 1.05 H new ATOM 1677 N SER A 105 -19.443 -16.894 -19.824 1.00 0.80 N ATOM 1678 CA SER A 105 -18.990 -18.286 -19.872 1.00 1.13 C ATOM 1679 C SER A 105 -18.650 -18.785 -18.463 1.00 1.23 C ATOM 1680 O SER A 105 -19.357 -19.631 -17.914 1.00 1.61 O ATOM 1681 CB SER A 105 -17.769 -18.409 -20.789 1.00 1.48 C ATOM 1682 OG SER A 105 -18.068 -17.924 -22.095 1.00 1.63 O ATOM 0 H SER A 105 -18.695 -16.220 -19.659 1.00 0.80 H new ATOM 0 HA SER A 105 -19.794 -18.903 -20.272 1.00 1.13 H new ATOM 0 HB2 SER A 105 -16.935 -17.847 -20.369 1.00 1.48 H new ATOM 0 HB3 SER A 105 -17.454 -19.451 -20.846 1.00 1.48 H new ATOM 0 HG SER A 105 -17.980 -16.948 -22.110 1.00 1.63 H new ATOM 1688 N ALA A 106 -17.567 -18.258 -17.888 1.00 1.29 N ATOM 1689 CA ALA A 106 -17.111 -18.643 -16.550 1.00 1.59 C ATOM 1690 C ALA A 106 -15.783 -17.952 -16.243 1.00 2.40 C ATOM 1691 O ALA A 106 -14.985 -17.738 -17.183 1.00 3.00 O ATOM 1692 CB ALA A 106 -16.924 -20.162 -16.471 1.00 1.90 C ATOM 1693 OXT ALA A 106 -15.518 -17.657 -15.065 1.00 3.05 O ATOM 0 H ALA A 106 -16.982 -17.553 -18.336 1.00 1.29 H new ATOM 0 HA ALA A 106 -17.861 -18.338 -15.821 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -16.585 -20.435 -15.472 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -17.872 -20.657 -16.680 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -16.181 -20.476 -17.205 1.00 1.90 H new