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 84 ASN : amide:sc= 0.57 K(o=0.95,f=-0.44) USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0.379 USER MOD Set 2.1: A 8 LYS NZ :NH3+ -176:sc= 1.12 (180deg=0.954) USER MOD Set 2.2: A 69 TYR OH : rot 39:sc= 0.127 USER MOD Set 3.1: A 39 LYS NZ :NH3+ 142:sc= 1.22 (180deg=0.604) USER MOD Set 3.2: A 43 SER OG : rot 84:sc= 0.464 USER MOD Set 4.1: A 28 CYS SG : rot 47:sc= -0.571 USER MOD Set 4.2: A 35 MET CE :methyl -138:sc= -0.859 (180deg=-2.67!) USER MOD Set 5.1: A 9 HIS : no HE2:sc= -0.439 K(o=0.84,f=-3.4!) USER MOD Set 5.2: A 22 SER OG : rot -140:sc= 1.28 USER MOD Single : A 6 ASN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 24 HIS : no HE2:sc= 0.901 K(o=0.9,f=-6!) USER MOD Single : A 25 ASN : amide:sc= -0.191 K(o=-0.19,f=-4.6!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 32 ASN : amide:sc= -0.179 K(o=-0.18,f=-2.7!) USER MOD Single : A 33 GLN : amide:sc= -0.0427 X(o=-0.043,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0554) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0.712 K(o=0.71,f=-3.5!) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0714 USER MOD Single : A 57 SER OG : rot -18:sc= 1.28 USER MOD Single : A 59 LYS NZ :NH3+ 155:sc= 1.2 (180deg=0.0241) USER MOD Single : A 63 CYS SG : rot -19:sc= -1.1 USER MOD Single : A 74 HIS : no HD1:sc= -0.0463 X(o=-0.046,f=-0.023) USER MOD Single : A 77 LYS NZ :NH3+ 138:sc= 2.27 (180deg=0.329) USER MOD Single : A 81 SER OG : rot 180:sc= 0.0195 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -120:sc= 0.771 (180deg=-0.564) USER MOD Single : A 96 MET CE :methyl -162:sc= -0.0152 (180deg=-0.198) USER MOD Single : A 97 ASN : amide:sc= -0.0105 K(o=-0.011,f=-0.87) USER MOD Single : A 98 THR OG1 : rot 63:sc= 1.23 USER MOD Single : A 101 GLN : amide:sc= -0.0211 X(o=-0.021,f=0) USER MOD Single : A 104 SER OG : rot 84:sc= 1.32 USER MOD Single : A 105 SER OG : rot 72:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -8.749 -10.893 -15.084 1.00 0.51 N ATOM 21 CA GLU A 2 -8.706 -9.768 -14.140 1.00 0.37 C ATOM 22 C GLU A 2 -8.394 -8.477 -14.902 1.00 0.34 C ATOM 23 O GLU A 2 -7.977 -8.515 -16.064 1.00 0.48 O ATOM 24 CB GLU A 2 -7.645 -9.979 -13.036 1.00 0.53 C ATOM 25 CG GLU A 2 -7.308 -11.457 -12.784 1.00 0.96 C ATOM 26 CD GLU A 2 -6.097 -11.880 -13.606 1.00 1.61 C ATOM 27 OE1 GLU A 2 -5.953 -11.403 -14.749 1.00 2.16 O ATOM 28 OE2 GLU A 2 -5.278 -12.677 -13.105 1.00 2.09 O ATOM 0 HA GLU A 2 -9.681 -9.701 -13.658 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -6.734 -9.449 -13.313 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -8.004 -9.533 -12.108 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -7.107 -11.614 -11.724 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -8.165 -12.080 -13.042 1.00 0.96 H new ATOM 35 N GLY A 3 -8.593 -7.338 -14.245 1.00 0.25 N ATOM 36 CA GLY A 3 -8.330 -6.028 -14.850 1.00 0.28 C ATOM 37 C GLY A 3 -9.195 -4.945 -14.209 1.00 0.22 C ATOM 38 O GLY A 3 -10.088 -5.238 -13.408 1.00 0.22 O ATOM 0 H GLY A 3 -8.938 -7.292 -13.286 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -7.277 -5.774 -14.732 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.530 -6.071 -15.921 1.00 0.28 H new ATOM 42 N PHE A 4 -8.938 -3.691 -14.582 1.00 0.24 N ATOM 43 CA PHE A 4 -9.698 -2.547 -14.064 1.00 0.21 C ATOM 44 C PHE A 4 -10.968 -2.349 -14.889 1.00 0.22 C ATOM 45 O PHE A 4 -10.970 -2.554 -16.102 1.00 0.27 O ATOM 46 CB PHE A 4 -8.851 -1.273 -14.109 1.00 0.23 C ATOM 47 CG PHE A 4 -7.913 -1.144 -12.933 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.406 -0.745 -11.701 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.559 -1.416 -13.077 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.554 -0.619 -10.620 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.708 -1.290 -11.992 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.205 -0.891 -10.766 1.00 0.41 C ATOM 0 H PHE A 4 -8.205 -3.438 -15.245 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.967 -2.752 -13.028 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.271 -1.262 -15.032 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.511 -0.406 -14.137 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.458 -0.532 -11.585 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.170 -1.726 -14.035 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -7.941 -0.308 -9.661 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.655 -1.504 -12.104 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.540 -0.791 -9.921 1.00 0.41 H new ATOM 62 N LEU A 5 -12.036 -1.949 -14.221 1.00 0.19 N ATOM 63 CA LEU A 5 -13.329 -1.721 -14.866 1.00 0.21 C ATOM 64 C LEU A 5 -14.143 -0.707 -14.065 1.00 0.20 C ATOM 65 O LEU A 5 -14.159 -0.747 -12.835 1.00 0.21 O ATOM 66 CB LEU A 5 -14.125 -3.037 -14.943 1.00 0.23 C ATOM 67 CG LEU A 5 -13.859 -3.828 -16.231 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.705 -5.103 -16.244 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.150 -2.984 -17.475 1.00 0.31 C ATOM 0 H LEU A 5 -12.037 -1.772 -13.217 1.00 0.19 H new ATOM 0 HA LEU A 5 -13.147 -1.341 -15.871 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.872 -3.658 -14.084 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -15.190 -2.815 -14.874 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.803 -4.097 -16.252 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.511 -5.659 -17.161 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.446 -5.720 -15.384 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.762 -4.839 -16.196 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -13.951 -3.574 -18.370 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.195 -2.675 -17.469 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.511 -2.101 -17.473 1.00 0.31 H new ATOM 81 N ASN A 6 -14.861 0.168 -14.762 1.00 0.22 N ATOM 82 CA ASN A 6 -15.728 1.155 -14.103 1.00 0.23 C ATOM 83 C ASN A 6 -17.063 0.474 -13.823 1.00 0.22 C ATOM 84 O ASN A 6 -17.694 -0.035 -14.744 1.00 0.26 O ATOM 85 CB ASN A 6 -15.893 2.414 -14.984 1.00 0.28 C ATOM 86 CG ASN A 6 -15.424 3.666 -14.233 1.00 0.72 C ATOM 87 OD1 ASN A 6 -16.137 4.196 -13.380 1.00 1.49 O ATOM 88 ND2 ASN A 6 -14.229 4.143 -14.551 1.00 1.24 N ATOM 0 H ASN A 6 -14.864 0.219 -15.781 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.287 1.496 -13.166 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -15.319 2.299 -15.903 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.938 2.527 -15.273 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -13.872 4.976 -14.084 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -13.667 3.677 -15.263 1.00 1.24 H new ATOM 95 N ARG A 7 -17.457 0.408 -12.548 1.00 0.23 N ATOM 96 CA ARG A 7 -18.695 -0.275 -12.147 1.00 0.24 C ATOM 97 C ARG A 7 -19.769 0.705 -11.675 1.00 0.25 C ATOM 98 O ARG A 7 -19.485 1.681 -10.966 1.00 0.32 O ATOM 99 CB ARG A 7 -18.393 -1.281 -11.026 1.00 0.28 C ATOM 100 CG ARG A 7 -19.579 -2.217 -10.766 1.00 0.34 C ATOM 101 CD ARG A 7 -19.222 -3.297 -9.740 1.00 0.54 C ATOM 102 NE ARG A 7 -19.562 -2.863 -8.379 1.00 0.95 N ATOM 103 CZ ARG A 7 -18.774 -3.132 -7.338 1.00 1.16 C ATOM 104 NH1 ARG A 7 -18.846 -4.319 -6.747 1.00 1.46 N ATOM 105 NH2 ARG A 7 -17.948 -2.204 -6.884 1.00 1.71 N ATOM 0 H ARG A 7 -16.937 0.819 -11.773 1.00 0.23 H new ATOM 0 HA ARG A 7 -19.081 -0.792 -13.025 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.516 -1.871 -11.294 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -18.148 -0.742 -10.111 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -20.430 -1.638 -10.407 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.885 -2.687 -11.700 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -19.755 -4.218 -9.976 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -18.157 -3.521 -9.799 1.00 0.54 H new ATOM 0 HE ARG A 7 -20.425 -2.341 -8.226 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -19.502 -5.020 -7.090 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -18.245 -4.529 -5.950 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -17.916 -1.287 -7.330 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -17.343 -2.405 -6.088 1.00 1.71 H new ATOM 119 N LYS A 8 -21.007 0.393 -12.065 1.00 0.27 N ATOM 120 CA LYS A 8 -22.198 1.165 -11.712 1.00 0.29 C ATOM 121 C LYS A 8 -23.353 0.189 -11.501 1.00 0.29 C ATOM 122 O LYS A 8 -23.903 -0.350 -12.465 1.00 0.38 O ATOM 123 CB LYS A 8 -22.531 2.152 -12.838 1.00 0.36 C ATOM 124 CG LYS A 8 -23.728 3.057 -12.500 1.00 0.37 C ATOM 125 CD LYS A 8 -24.806 3.006 -13.580 1.00 0.50 C ATOM 126 CE LYS A 8 -26.138 3.550 -13.055 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.941 4.196 -14.132 1.00 1.02 N ATOM 0 H LYS A 8 -21.212 -0.420 -12.646 1.00 0.27 H new ATOM 0 HA LYS A 8 -22.024 1.736 -10.800 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.658 2.772 -13.042 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.747 1.596 -13.750 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -24.156 2.751 -11.546 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -23.383 4.084 -12.380 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.487 3.588 -14.444 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -24.937 1.978 -13.919 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.713 2.736 -12.613 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.947 4.273 -12.262 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.802 4.610 -13.722 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -26.378 4.945 -14.583 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -27.204 3.484 -14.843 1.00 1.02 H new ATOM 141 N HIS A 9 -23.711 -0.059 -10.243 1.00 0.43 N ATOM 142 CA HIS A 9 -24.797 -0.991 -9.914 1.00 0.52 C ATOM 143 C HIS A 9 -26.166 -0.341 -10.128 1.00 0.58 C ATOM 144 O HIS A 9 -26.687 0.337 -9.246 1.00 0.73 O ATOM 145 CB HIS A 9 -24.666 -1.530 -8.469 1.00 0.68 C ATOM 146 CG HIS A 9 -24.464 -0.493 -7.391 1.00 0.88 C ATOM 147 ND1 HIS A 9 -24.339 -0.818 -6.064 1.00 1.21 N ATOM 148 CD2 HIS A 9 -24.358 0.862 -7.427 1.00 1.22 C ATOM 149 CE1 HIS A 9 -24.164 0.252 -5.328 1.00 1.69 C ATOM 150 NE2 HIS A 9 -24.169 1.304 -6.129 1.00 1.75 N ATOM 0 H HIS A 9 -23.267 0.371 -9.431 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.713 -1.839 -10.593 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -25.564 -2.101 -8.233 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -23.828 -2.226 -8.437 1.00 0.68 H new ATOM 0 HD1 HIS A 9 -24.377 -1.769 -5.698 1.00 1.21 H new ATOM 0 HD2 HIS A 9 -24.412 1.482 -8.310 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -24.038 0.271 -4.256 1.00 1.69 H new ATOM 158 N GLU A 10 -26.751 -0.570 -11.308 1.00 0.60 N ATOM 159 CA GLU A 10 -28.077 -0.030 -11.654 1.00 0.73 C ATOM 160 C GLU A 10 -29.118 -0.494 -10.631 1.00 0.83 C ATOM 161 O GLU A 10 -29.982 0.274 -10.214 1.00 1.00 O ATOM 162 CB GLU A 10 -28.485 -0.507 -13.058 1.00 0.79 C ATOM 163 CG GLU A 10 -27.916 0.402 -14.151 1.00 1.28 C ATOM 164 CD GLU A 10 -28.803 1.623 -14.380 1.00 1.19 C ATOM 165 OE1 GLU A 10 -29.799 1.803 -13.649 1.00 1.72 O ATOM 166 OE2 GLU A 10 -28.500 2.411 -15.290 1.00 1.52 O ATOM 0 H GLU A 10 -26.326 -1.130 -12.047 1.00 0.60 H new ATOM 0 HA GLU A 10 -28.027 1.059 -11.643 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -28.133 -1.527 -13.213 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -29.572 -0.530 -13.133 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -26.914 0.726 -13.871 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -27.821 -0.160 -15.080 1.00 1.28 H new ATOM 173 N TRP A 11 -29.005 -1.757 -10.234 1.00 0.82 N ATOM 174 CA TRP A 11 -29.900 -2.365 -9.260 1.00 0.96 C ATOM 175 C TRP A 11 -29.125 -3.415 -8.461 1.00 0.94 C ATOM 176 O TRP A 11 -28.630 -4.403 -9.017 1.00 0.84 O ATOM 177 CB TRP A 11 -31.099 -2.990 -9.985 1.00 1.08 C ATOM 178 CG TRP A 11 -32.087 -3.671 -9.073 1.00 1.26 C ATOM 179 CD1 TRP A 11 -32.960 -3.078 -8.197 1.00 1.54 C ATOM 180 CD2 TRP A 11 -32.290 -5.089 -8.946 1.00 1.26 C ATOM 181 NE1 TRP A 11 -33.697 -4.059 -7.587 1.00 1.67 N ATOM 182 CE2 TRP A 11 -33.311 -5.290 -8.013 1.00 1.51 C ATOM 183 CE3 TRP A 11 -31.713 -6.199 -9.548 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -33.752 -6.556 -7.667 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -32.142 -7.470 -9.208 1.00 1.35 C ATOM 186 CH2 TRP A 11 -33.157 -7.649 -8.280 1.00 1.53 C ATOM 0 H TRP A 11 -28.285 -2.390 -10.582 1.00 0.82 H new ATOM 0 HA TRP A 11 -30.279 -1.611 -8.569 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -31.616 -2.211 -10.546 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -30.732 -3.715 -10.711 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -33.051 -2.017 -8.018 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -34.436 -3.888 -6.905 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -30.930 -6.071 -10.281 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -34.539 -6.689 -6.939 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -31.682 -8.331 -9.670 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -33.487 -8.647 -8.033 1.00 1.53 H new ATOM 353 N SER A 22 -22.829 6.123 -8.319 1.00 1.32 N ATOM 354 CA SER A 22 -21.966 4.938 -8.364 1.00 0.74 C ATOM 355 C SER A 22 -21.304 4.759 -9.734 1.00 0.68 C ATOM 356 O SER A 22 -21.914 4.239 -10.660 1.00 1.69 O ATOM 357 CB SER A 22 -22.786 3.690 -8.019 1.00 1.62 C ATOM 358 OG SER A 22 -23.632 3.933 -6.901 1.00 1.86 O ATOM 0 HA SER A 22 -21.172 5.079 -7.631 1.00 0.74 H new ATOM 0 HB2 SER A 22 -23.388 3.396 -8.879 1.00 1.62 H new ATOM 0 HB3 SER A 22 -22.116 2.859 -7.800 1.00 1.62 H new ATOM 0 HG SER A 22 -23.642 3.143 -6.321 1.00 1.86 H new ATOM 364 N TRP A 23 -20.044 5.162 -9.829 1.00 0.69 N ATOM 365 CA TRP A 23 -19.242 5.027 -11.052 1.00 0.41 C ATOM 366 C TRP A 23 -17.778 5.054 -10.618 1.00 0.40 C ATOM 367 O TRP A 23 -17.127 6.102 -10.650 1.00 0.55 O ATOM 368 CB TRP A 23 -19.544 6.165 -12.062 1.00 0.43 C ATOM 369 CG TRP A 23 -20.482 5.764 -13.173 1.00 0.40 C ATOM 370 CD1 TRP A 23 -21.637 6.403 -13.535 1.00 0.45 C ATOM 371 CD2 TRP A 23 -20.346 4.639 -14.075 1.00 0.34 C ATOM 372 NE1 TRP A 23 -22.200 5.735 -14.589 1.00 0.42 N ATOM 373 CE2 TRP A 23 -21.448 4.660 -14.942 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.404 3.616 -14.232 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.628 3.704 -15.934 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.578 2.657 -15.222 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.681 2.703 -16.068 1.00 0.31 C ATOM 0 H TRP A 23 -19.539 5.596 -9.056 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.482 4.096 -11.566 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.974 7.010 -11.524 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -18.606 6.509 -12.498 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -22.038 7.289 -13.066 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -23.069 6.008 -15.048 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.542 3.572 -13.583 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.488 3.741 -16.586 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.849 1.868 -15.336 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.800 1.952 -16.835 1.00 0.31 H new ATOM 388 N HIS A 24 -17.283 3.902 -10.159 1.00 0.37 N ATOM 389 CA HIS A 24 -15.899 3.783 -9.654 1.00 0.45 C ATOM 390 C HIS A 24 -15.093 2.753 -10.452 1.00 0.36 C ATOM 391 O HIS A 24 -15.602 1.684 -10.800 1.00 0.34 O ATOM 392 CB HIS A 24 -15.900 3.393 -8.153 1.00 0.61 C ATOM 393 CG HIS A 24 -16.909 2.341 -7.782 1.00 1.18 C ATOM 394 ND1 HIS A 24 -18.053 2.601 -7.068 1.00 2.08 N ATOM 395 CD2 HIS A 24 -16.953 1.010 -8.034 1.00 1.66 C ATOM 396 CE1 HIS A 24 -18.758 1.512 -6.894 1.00 2.98 C ATOM 397 NE2 HIS A 24 -18.115 0.512 -7.473 1.00 2.74 N ATOM 0 H HIS A 24 -17.815 3.033 -10.124 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.424 4.757 -9.776 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -14.906 3.036 -7.883 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -16.090 4.287 -7.559 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -18.318 3.522 -6.719 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -16.213 0.440 -8.576 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -19.700 1.442 -6.370 1.00 2.98 H new ATOM 405 N ASN A 25 -13.817 3.074 -10.701 1.00 0.37 N ATOM 406 CA ASN A 25 -12.899 2.182 -11.419 1.00 0.35 C ATOM 407 C ASN A 25 -12.376 1.130 -10.434 1.00 0.34 C ATOM 408 O ASN A 25 -11.415 1.372 -9.701 1.00 0.55 O ATOM 409 CB ASN A 25 -11.736 2.993 -12.029 1.00 0.44 C ATOM 410 CG ASN A 25 -10.865 2.116 -12.935 1.00 0.99 C ATOM 411 OD1 ASN A 25 -11.301 1.070 -13.412 1.00 1.71 O ATOM 412 ND2 ASN A 25 -9.636 2.546 -13.177 1.00 1.49 N ATOM 0 H ASN A 25 -13.394 3.956 -10.412 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.420 1.685 -12.237 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -12.134 3.830 -12.602 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.125 3.415 -11.231 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -9.015 2.004 -13.778 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -9.310 3.419 -12.763 1.00 1.49 H new ATOM 419 N VAL A 26 -13.038 -0.023 -10.407 1.00 0.22 N ATOM 420 CA VAL A 26 -12.688 -1.122 -9.503 1.00 0.21 C ATOM 421 C VAL A 26 -11.921 -2.215 -10.253 1.00 0.18 C ATOM 422 O VAL A 26 -12.080 -2.384 -11.463 1.00 0.23 O ATOM 423 CB VAL A 26 -13.980 -1.677 -8.873 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.864 -2.382 -9.910 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.675 -2.613 -7.710 1.00 0.31 C ATOM 0 H VAL A 26 -13.834 -0.225 -11.011 1.00 0.22 H new ATOM 0 HA VAL A 26 -12.034 -0.755 -8.712 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.535 -0.821 -8.488 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.764 -2.759 -9.425 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -15.142 -1.675 -10.692 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.315 -3.214 -10.351 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.609 -2.986 -7.289 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.076 -3.452 -8.065 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.122 -2.072 -6.943 1.00 0.31 H new ATOM 435 N TYR A 27 -11.102 -2.968 -9.521 1.00 0.16 N ATOM 436 CA TYR A 27 -10.317 -4.062 -10.098 1.00 0.16 C ATOM 437 C TYR A 27 -11.095 -5.364 -9.935 1.00 0.19 C ATOM 438 O TYR A 27 -11.283 -5.846 -8.815 1.00 0.34 O ATOM 439 CB TYR A 27 -8.952 -4.162 -9.401 1.00 0.17 C ATOM 440 CG TYR A 27 -7.942 -4.979 -10.181 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.132 -4.374 -11.128 1.00 0.28 C ATOM 442 CD2 TYR A 27 -7.823 -6.338 -9.944 1.00 0.26 C ATOM 443 CE1 TYR A 27 -6.208 -5.129 -11.833 1.00 0.33 C ATOM 444 CE2 TYR A 27 -6.902 -7.089 -10.648 1.00 0.30 C ATOM 445 CZ TYR A 27 -6.102 -6.456 -11.620 1.00 0.29 C ATOM 446 OH TYR A 27 -5.185 -7.236 -12.284 1.00 0.37 O ATOM 0 H TYR A 27 -10.963 -2.840 -8.519 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.143 -3.871 -11.157 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.556 -3.158 -9.246 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.086 -4.607 -8.415 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -7.220 -3.314 -11.317 1.00 0.28 H new ATOM 0 HD2 TYR A 27 -8.453 -6.813 -9.206 1.00 0.26 H new ATOM 0 HE1 TYR A 27 -5.568 -4.650 -12.559 1.00 0.33 H new ATOM 0 HE2 TYR A 27 -6.797 -8.147 -10.456 1.00 0.30 H new ATOM 0 HH TYR A 27 -5.270 -8.166 -11.986 1.00 0.37 H new ATOM 456 N CYS A 28 -11.563 -5.919 -11.047 1.00 0.16 N ATOM 457 CA CYS A 28 -12.335 -7.146 -11.038 1.00 0.19 C ATOM 458 C CYS A 28 -11.430 -8.358 -11.235 1.00 0.19 C ATOM 459 O CYS A 28 -10.367 -8.270 -11.858 1.00 0.23 O ATOM 460 CB CYS A 28 -13.386 -7.071 -12.142 1.00 0.23 C ATOM 461 SG CYS A 28 -15.060 -7.202 -11.497 1.00 0.34 S ATOM 0 H CYS A 28 -11.416 -5.528 -11.977 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.827 -7.260 -10.072 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -13.279 -6.129 -12.680 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -13.212 -7.871 -12.862 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.191 -6.420 -10.467 1.00 0.34 H new ATOM 467 N VAL A 29 -11.870 -9.482 -10.690 1.00 0.21 N ATOM 468 CA VAL A 29 -11.140 -10.746 -10.767 1.00 0.24 C ATOM 469 C VAL A 29 -12.129 -11.905 -10.856 1.00 0.26 C ATOM 470 O VAL A 29 -12.860 -12.171 -9.901 1.00 0.38 O ATOM 471 CB VAL A 29 -10.256 -10.933 -9.518 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.393 -12.192 -9.655 1.00 0.37 C ATOM 473 CG2 VAL A 29 -9.372 -9.710 -9.270 1.00 0.33 C ATOM 0 H VAL A 29 -12.749 -9.547 -10.177 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.507 -10.728 -11.654 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.917 -11.049 -8.659 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.775 -12.308 -8.764 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -10.037 -13.064 -9.766 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.752 -12.100 -10.532 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.762 -9.876 -8.382 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.723 -9.549 -10.131 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -10.000 -8.832 -9.120 1.00 0.33 H new ATOM 483 N ILE A 30 -12.139 -12.602 -11.989 1.00 0.28 N ATOM 484 CA ILE A 30 -13.026 -13.753 -12.184 1.00 0.32 C ATOM 485 C ILE A 30 -12.336 -15.008 -11.642 1.00 0.35 C ATOM 486 O ILE A 30 -11.252 -15.376 -12.103 1.00 0.44 O ATOM 487 CB ILE A 30 -13.368 -13.931 -13.675 1.00 0.40 C ATOM 488 CG1 ILE A 30 -14.012 -12.654 -14.232 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.303 -15.130 -13.883 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.288 -12.765 -15.731 1.00 0.57 C ATOM 0 H ILE A 30 -11.543 -12.392 -12.790 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.959 -13.585 -11.646 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.441 -14.122 -14.215 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.945 -12.458 -13.704 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -13.355 -11.804 -14.045 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.530 -15.235 -14.944 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -13.817 -16.037 -13.525 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.228 -14.971 -13.328 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.744 -11.841 -16.086 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -13.351 -12.935 -16.262 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -14.966 -13.598 -15.915 1.00 0.57 H new ATOM 502 N ASN A 31 -12.956 -15.641 -10.647 1.00 0.46 N ATOM 503 CA ASN A 31 -12.412 -16.847 -10.011 1.00 0.58 C ATOM 504 C ASN A 31 -13.418 -18.003 -10.120 1.00 0.71 C ATOM 505 O ASN A 31 -14.253 -18.206 -9.235 1.00 1.20 O ATOM 506 CB ASN A 31 -12.074 -16.547 -8.536 1.00 0.73 C ATOM 507 CG ASN A 31 -11.238 -17.675 -7.922 1.00 0.93 C ATOM 508 OD1 ASN A 31 -10.158 -18.001 -8.420 1.00 1.27 O ATOM 509 ND2 ASN A 31 -11.726 -18.258 -6.838 1.00 1.47 N ATOM 0 H ASN A 31 -13.848 -15.336 -10.257 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.498 -17.146 -10.523 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -11.527 -15.607 -8.469 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -12.995 -16.421 -7.967 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -11.204 -19.007 -6.383 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -12.624 -17.958 -6.458 1.00 1.47 H new ATOM 516 N ASN A 32 -13.327 -18.753 -11.218 1.00 0.85 N ATOM 517 CA ASN A 32 -14.205 -19.903 -11.483 1.00 1.00 C ATOM 518 C ASN A 32 -15.634 -19.426 -11.803 1.00 1.00 C ATOM 519 O ASN A 32 -15.893 -18.970 -12.919 1.00 1.97 O ATOM 520 CB ASN A 32 -14.162 -20.901 -10.295 1.00 1.24 C ATOM 521 CG ASN A 32 -14.298 -22.341 -10.794 1.00 1.73 C ATOM 522 OD1 ASN A 32 -15.390 -22.908 -10.810 1.00 2.06 O ATOM 523 ND2 ASN A 32 -13.187 -22.934 -11.201 1.00 2.52 N ATOM 0 H ASN A 32 -12.641 -18.583 -11.954 1.00 0.85 H new ATOM 0 HA ASN A 32 -13.844 -20.437 -12.362 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -13.225 -20.786 -9.751 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -14.967 -20.676 -9.595 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -13.217 -23.894 -11.543 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -12.300 -22.431 -11.172 1.00 2.52 H new ATOM 530 N GLN A 33 -16.550 -19.525 -10.835 1.00 0.75 N ATOM 531 CA GLN A 33 -17.948 -19.099 -11.024 1.00 0.67 C ATOM 532 C GLN A 33 -18.298 -17.925 -10.100 1.00 0.56 C ATOM 533 O GLN A 33 -19.493 -17.596 -9.929 1.00 0.71 O ATOM 534 CB GLN A 33 -18.892 -20.281 -10.761 1.00 0.83 C ATOM 535 CG GLN A 33 -18.449 -21.530 -11.535 1.00 1.46 C ATOM 536 CD GLN A 33 -19.622 -22.484 -11.755 1.00 1.85 C ATOM 537 OE1 GLN A 33 -19.635 -23.598 -11.231 1.00 2.11 O ATOM 538 NE2 GLN A 33 -20.601 -22.056 -12.533 1.00 2.67 N ATOM 0 H GLN A 33 -16.351 -19.898 -9.907 1.00 0.75 H new ATOM 0 HA GLN A 33 -18.069 -18.763 -12.054 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -18.915 -20.501 -9.694 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -19.907 -20.011 -11.052 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -18.030 -21.236 -12.497 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -17.658 -22.041 -10.986 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -20.553 -21.126 -12.949 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -21.405 -22.656 -12.718 1.00 2.67 H new ATOM 547 N GLU A 34 -17.259 -17.291 -9.514 1.00 0.53 N ATOM 548 CA GLU A 34 -17.436 -16.146 -8.619 1.00 0.49 C ATOM 549 C GLU A 34 -16.469 -15.031 -9.025 1.00 0.45 C ATOM 550 O GLU A 34 -15.309 -15.295 -9.348 1.00 0.64 O ATOM 551 CB GLU A 34 -17.160 -16.557 -7.165 1.00 0.61 C ATOM 552 CG GLU A 34 -18.153 -17.620 -6.657 1.00 1.25 C ATOM 553 CD GLU A 34 -19.096 -17.038 -5.607 1.00 1.42 C ATOM 554 OE1 GLU A 34 -18.612 -16.510 -4.589 1.00 1.89 O ATOM 555 OE2 GLU A 34 -20.326 -17.113 -5.795 1.00 1.79 O ATOM 0 H GLU A 34 -16.285 -17.562 -9.652 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.464 -15.792 -8.696 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -16.145 -16.945 -7.086 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -17.215 -15.677 -6.525 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -18.733 -18.009 -7.494 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -17.604 -18.460 -6.231 1.00 1.25 H new ATOM 562 N MET A 35 -16.943 -13.790 -8.994 1.00 0.36 N ATOM 563 CA MET A 35 -16.123 -12.625 -9.337 1.00 0.35 C ATOM 564 C MET A 35 -15.810 -11.839 -8.065 1.00 0.32 C ATOM 565 O MET A 35 -16.681 -11.654 -7.213 1.00 0.42 O ATOM 566 CB MET A 35 -16.846 -11.741 -10.366 1.00 0.41 C ATOM 567 CG MET A 35 -18.080 -11.055 -9.778 1.00 0.43 C ATOM 568 SD MET A 35 -19.094 -10.251 -11.032 1.00 0.60 S ATOM 569 CE MET A 35 -17.927 -9.083 -11.750 1.00 1.25 C ATOM 0 H MET A 35 -17.902 -13.560 -8.732 1.00 0.36 H new ATOM 0 HA MET A 35 -15.188 -12.959 -9.787 1.00 0.35 H new ATOM 0 HB2 MET A 35 -16.156 -10.984 -10.740 1.00 0.41 H new ATOM 0 HB3 MET A 35 -17.144 -12.350 -11.219 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.682 -11.793 -9.248 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.763 -10.315 -9.043 1.00 0.43 H new ATOM 0 HE1 MET A 35 -18.424 -8.127 -11.915 1.00 1.25 H new ATOM 0 HE2 MET A 35 -17.087 -8.942 -11.069 1.00 1.25 H new ATOM 0 HE3 MET A 35 -17.562 -9.471 -12.701 1.00 1.25 H new ATOM 579 N GLY A 36 -14.566 -11.397 -7.938 1.00 0.27 N ATOM 580 CA GLY A 36 -14.115 -10.644 -6.768 1.00 0.29 C ATOM 581 C GLY A 36 -13.770 -9.204 -7.142 1.00 0.25 C ATOM 582 O GLY A 36 -13.143 -8.957 -8.176 1.00 0.28 O ATOM 0 H GLY A 36 -13.841 -11.548 -8.639 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.894 -10.649 -6.006 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.241 -11.130 -6.333 1.00 0.29 H new ATOM 586 N PHE A 37 -14.182 -8.261 -6.290 1.00 0.24 N ATOM 587 CA PHE A 37 -13.924 -6.826 -6.504 1.00 0.25 C ATOM 588 C PHE A 37 -12.826 -6.342 -5.555 1.00 0.25 C ATOM 589 O PHE A 37 -13.014 -6.321 -4.337 1.00 0.40 O ATOM 590 CB PHE A 37 -15.208 -6.024 -6.269 1.00 0.30 C ATOM 591 CG PHE A 37 -16.271 -6.317 -7.301 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.258 -5.660 -8.522 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.269 -7.239 -7.023 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.240 -5.927 -9.461 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.248 -7.503 -7.964 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.207 -6.865 -9.206 1.00 0.33 C ATOM 0 H PHE A 37 -14.701 -8.464 -5.436 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.594 -6.676 -7.532 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.598 -6.251 -5.277 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -14.975 -4.959 -6.284 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.483 -4.941 -8.740 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.282 -7.751 -6.072 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.244 -5.393 -10.400 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.042 -8.200 -7.739 1.00 0.45 H new ATOM 0 HZ PHE A 37 -18.936 -7.110 -9.964 1.00 0.33 H new ATOM 606 N TYR A 38 -11.680 -5.961 -6.120 1.00 0.20 N ATOM 607 CA TYR A 38 -10.527 -5.489 -5.344 1.00 0.21 C ATOM 608 C TYR A 38 -10.134 -4.060 -5.742 1.00 0.21 C ATOM 609 O TYR A 38 -10.722 -3.464 -6.646 1.00 0.23 O ATOM 610 CB TYR A 38 -9.343 -6.435 -5.574 1.00 0.23 C ATOM 611 CG TYR A 38 -9.590 -7.820 -5.022 1.00 0.27 C ATOM 612 CD1 TYR A 38 -9.253 -8.124 -3.712 1.00 0.42 C ATOM 613 CD2 TYR A 38 -10.150 -8.790 -5.829 1.00 0.27 C ATOM 614 CE1 TYR A 38 -9.478 -9.397 -3.216 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.373 -10.062 -5.337 1.00 0.35 C ATOM 616 CZ TYR A 38 -10.045 -10.344 -3.994 1.00 0.44 C ATOM 617 OH TYR A 38 -10.269 -11.625 -3.541 1.00 0.55 O ATOM 0 H TYR A 38 -11.522 -5.970 -7.128 1.00 0.20 H new ATOM 0 HA TYR A 38 -10.800 -5.481 -4.289 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.141 -6.505 -6.643 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.452 -6.016 -5.107 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -8.815 -7.367 -3.078 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -10.415 -8.554 -6.849 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -9.198 -9.634 -2.200 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.792 -10.829 -5.971 1.00 0.35 H new ATOM 0 HH TYR A 38 -10.687 -12.155 -4.252 1.00 0.55 H new ATOM 627 N LYS A 39 -9.124 -3.519 -5.054 1.00 0.25 N ATOM 628 CA LYS A 39 -8.630 -2.161 -5.317 1.00 0.29 C ATOM 629 C LYS A 39 -7.727 -2.139 -6.555 1.00 0.28 C ATOM 630 O LYS A 39 -7.800 -1.228 -7.379 1.00 0.33 O ATOM 631 CB LYS A 39 -7.849 -1.662 -4.094 1.00 0.36 C ATOM 632 CG LYS A 39 -7.490 -0.175 -4.202 1.00 0.70 C ATOM 633 CD LYS A 39 -6.933 0.367 -2.880 1.00 1.15 C ATOM 634 CE LYS A 39 -5.747 -0.463 -2.375 1.00 1.82 C ATOM 635 NZ LYS A 39 -4.620 -0.485 -3.356 1.00 2.51 N ATOM 0 H LYS A 39 -8.629 -4.004 -4.305 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.482 -1.507 -5.505 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.442 -1.826 -3.195 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -6.936 -2.247 -3.985 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -6.754 -0.034 -4.993 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -8.375 0.394 -4.486 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -6.620 1.402 -3.015 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -7.722 0.368 -2.127 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -5.395 -0.054 -1.428 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -6.076 -1.483 -2.178 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -3.715 -0.444 -2.846 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -4.663 -1.361 -3.915 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -4.697 0.335 -3.991 1.00 2.51 H new ATOM 649 N ASP A 40 -6.868 -3.150 -6.669 1.00 0.28 N ATOM 650 CA ASP A 40 -5.925 -3.278 -7.786 1.00 0.32 C ATOM 651 C ASP A 40 -5.346 -4.698 -7.817 1.00 0.33 C ATOM 652 O ASP A 40 -5.783 -5.572 -7.061 1.00 0.32 O ATOM 653 CB ASP A 40 -4.795 -2.232 -7.663 1.00 0.38 C ATOM 654 CG ASP A 40 -3.865 -2.529 -6.484 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.305 -2.400 -5.319 1.00 0.84 O ATOM 656 OD2 ASP A 40 -2.700 -2.900 -6.725 1.00 0.94 O ATOM 0 H ASP A 40 -6.804 -3.907 -5.989 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.456 -3.094 -8.720 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.216 -2.214 -8.586 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.231 -1.240 -7.540 1.00 0.38 H new ATOM 661 N ALA A 41 -4.359 -4.918 -8.691 1.00 0.40 N ATOM 662 CA ALA A 41 -3.700 -6.228 -8.835 1.00 0.45 C ATOM 663 C ALA A 41 -3.048 -6.689 -7.523 1.00 0.45 C ATOM 664 O ALA A 41 -3.144 -7.863 -7.158 1.00 0.47 O ATOM 665 CB ALA A 41 -2.640 -6.168 -9.939 1.00 0.55 C ATOM 0 H ALA A 41 -3.993 -4.200 -9.317 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.471 -6.951 -9.101 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.160 -7.142 -10.036 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.113 -5.901 -10.884 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -1.891 -5.418 -9.684 1.00 0.55 H new ATOM 671 N LYS A 42 -2.400 -5.760 -6.805 1.00 0.46 N ATOM 672 CA LYS A 42 -1.743 -6.082 -5.526 1.00 0.48 C ATOM 673 C LYS A 42 -2.780 -6.504 -4.483 1.00 0.43 C ATOM 674 O LYS A 42 -2.600 -7.499 -3.782 1.00 0.47 O ATOM 675 CB LYS A 42 -0.937 -4.879 -5.015 1.00 0.54 C ATOM 676 CG LYS A 42 0.201 -4.518 -5.979 1.00 0.77 C ATOM 677 CD LYS A 42 1.586 -4.675 -5.328 1.00 1.12 C ATOM 678 CE LYS A 42 2.162 -3.333 -4.873 1.00 1.96 C ATOM 679 NZ LYS A 42 1.248 -2.620 -3.940 1.00 2.76 N ATOM 0 H LYS A 42 -2.316 -4.783 -7.085 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.058 -6.913 -5.694 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -1.598 -4.021 -4.893 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.525 -5.106 -4.032 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.142 -5.154 -6.862 1.00 0.77 H new ATOM 0 HG3 LYS A 42 0.075 -3.490 -6.318 1.00 0.77 H new ATOM 0 HD2 LYS A 42 1.510 -5.346 -4.472 1.00 1.12 H new ATOM 0 HD3 LYS A 42 2.269 -5.141 -6.038 1.00 1.12 H new ATOM 0 HE2 LYS A 42 3.122 -3.498 -4.384 1.00 1.96 H new ATOM 0 HE3 LYS A 42 2.352 -2.706 -5.744 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 1.737 -1.794 -3.539 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 0.402 -2.304 -4.456 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 0.966 -3.262 -3.172 1.00 2.76 H new ATOM 693 N SER A 43 -3.879 -5.753 -4.407 1.00 0.38 N ATOM 694 CA SER A 43 -4.970 -6.050 -3.470 1.00 0.38 C ATOM 695 C SER A 43 -5.660 -7.375 -3.830 1.00 0.39 C ATOM 696 O SER A 43 -6.145 -8.090 -2.952 1.00 0.45 O ATOM 697 CB SER A 43 -5.974 -4.898 -3.482 1.00 0.37 C ATOM 698 OG SER A 43 -5.304 -3.661 -3.260 1.00 1.04 O ATOM 0 H SER A 43 -4.040 -4.929 -4.986 1.00 0.38 H new ATOM 0 HA SER A 43 -4.556 -6.157 -2.467 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.496 -4.871 -4.438 1.00 0.37 H new ATOM 0 HB3 SER A 43 -6.728 -5.055 -2.711 1.00 0.37 H new ATOM 0 HG SER A 43 -4.941 -3.329 -4.107 1.00 1.04 H new ATOM 704 N ALA A 44 -5.686 -7.700 -5.127 1.00 0.37 N ATOM 705 CA ALA A 44 -6.302 -8.939 -5.621 1.00 0.43 C ATOM 706 C ALA A 44 -5.417 -10.150 -5.310 1.00 0.51 C ATOM 707 O ALA A 44 -5.914 -11.205 -4.914 1.00 0.59 O ATOM 708 CB ALA A 44 -6.534 -8.836 -7.129 1.00 0.43 C ATOM 0 H ALA A 44 -5.284 -7.117 -5.861 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.258 -9.075 -5.116 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -6.991 -9.757 -7.491 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.196 -7.996 -7.339 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.581 -8.681 -7.634 1.00 0.43 H new ATOM 714 N ALA A 45 -4.104 -9.988 -5.496 1.00 0.54 N ATOM 715 CA ALA A 45 -3.131 -11.061 -5.239 1.00 0.64 C ATOM 716 C ALA A 45 -2.954 -11.287 -3.734 1.00 0.68 C ATOM 717 O ALA A 45 -2.866 -12.428 -3.274 1.00 0.76 O ATOM 718 CB ALA A 45 -1.781 -10.705 -5.871 1.00 0.69 C ATOM 0 H ALA A 45 -3.685 -9.118 -5.826 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.509 -11.981 -5.685 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -1.066 -11.504 -5.676 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -1.904 -10.582 -6.947 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.411 -9.775 -5.440 1.00 0.69 H new ATOM 724 N SER A 46 -2.904 -10.190 -2.973 1.00 0.65 N ATOM 725 CA SER A 46 -2.741 -10.244 -1.515 1.00 0.73 C ATOM 726 C SER A 46 -4.029 -10.742 -0.842 1.00 0.74 C ATOM 727 O SER A 46 -3.975 -11.472 0.145 1.00 0.84 O ATOM 728 CB SER A 46 -2.359 -8.852 -0.985 1.00 0.75 C ATOM 729 OG SER A 46 -1.789 -8.936 0.316 1.00 1.21 O ATOM 0 H SER A 46 -2.975 -9.243 -3.346 1.00 0.65 H new ATOM 0 HA SER A 46 -1.943 -10.947 -1.276 1.00 0.73 H new ATOM 0 HB2 SER A 46 -1.649 -8.383 -1.666 1.00 0.75 H new ATOM 0 HB3 SER A 46 -3.243 -8.215 -0.957 1.00 0.75 H new ATOM 0 HG SER A 46 -1.554 -8.038 0.629 1.00 1.21 H new ATOM 735 N GLY A 47 -5.180 -10.348 -1.388 1.00 0.70 N ATOM 736 CA GLY A 47 -6.484 -10.752 -0.851 1.00 0.74 C ATOM 737 C GLY A 47 -6.979 -9.752 0.192 1.00 0.75 C ATOM 738 O GLY A 47 -7.205 -10.109 1.351 1.00 0.88 O ATOM 0 H GLY A 47 -5.237 -9.745 -2.208 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -7.208 -10.826 -1.662 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -6.406 -11.742 -0.402 1.00 0.74 H new ATOM 742 N ILE A 48 -7.146 -8.499 -0.235 1.00 0.67 N ATOM 743 CA ILE A 48 -7.618 -7.419 0.637 1.00 0.72 C ATOM 744 C ILE A 48 -9.051 -7.038 0.244 1.00 0.75 C ATOM 745 O ILE A 48 -9.310 -6.698 -0.910 1.00 0.75 O ATOM 746 CB ILE A 48 -6.680 -6.202 0.522 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.236 -6.604 0.848 1.00 0.78 C ATOM 748 CG2 ILE A 48 -7.129 -5.073 1.454 1.00 0.82 C ATOM 749 CD1 ILE A 48 -4.251 -5.476 0.543 1.00 0.97 C ATOM 0 H ILE A 48 -6.959 -8.203 -1.193 1.00 0.67 H new ATOM 0 HA ILE A 48 -7.614 -7.757 1.673 1.00 0.72 H new ATOM 0 HB ILE A 48 -6.725 -5.841 -0.506 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -5.163 -6.876 1.901 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -4.966 -7.489 0.271 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -6.450 -4.226 1.353 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -8.139 -4.762 1.188 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -7.118 -5.426 2.485 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -3.239 -5.800 0.787 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -4.305 -5.222 -0.516 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -4.505 -4.600 1.139 1.00 0.97 H new ATOM 761 N PRO A 49 -10.008 -7.093 1.195 1.00 0.84 N ATOM 762 CA PRO A 49 -11.423 -6.757 0.922 1.00 0.93 C ATOM 763 C PRO A 49 -11.642 -5.251 0.693 1.00 0.93 C ATOM 764 O PRO A 49 -11.589 -4.454 1.633 1.00 1.08 O ATOM 765 CB PRO A 49 -12.161 -7.245 2.172 1.00 1.07 C ATOM 766 CG PRO A 49 -11.141 -7.241 3.261 1.00 1.06 C ATOM 767 CD PRO A 49 -9.804 -7.492 2.606 1.00 0.92 C ATOM 0 HA PRO A 49 -11.781 -7.223 0.004 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -12.998 -6.590 2.415 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -12.571 -8.244 2.021 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -11.141 -6.286 3.787 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -11.361 -8.012 4.000 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -9.015 -6.905 3.075 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -9.512 -8.539 2.685 1.00 0.92 H new ATOM 775 N TYR A 50 -11.885 -4.876 -0.565 1.00 0.87 N ATOM 776 CA TYR A 50 -12.116 -3.474 -0.955 1.00 0.91 C ATOM 777 C TYR A 50 -13.622 -3.141 -0.994 1.00 1.12 C ATOM 778 O TYR A 50 -14.014 -2.069 -1.454 1.00 1.91 O ATOM 779 CB TYR A 50 -11.491 -3.230 -2.338 1.00 0.92 C ATOM 780 CG TYR A 50 -11.477 -1.773 -2.749 1.00 0.94 C ATOM 781 CD1 TYR A 50 -10.697 -0.859 -2.056 1.00 1.02 C ATOM 782 CD2 TYR A 50 -12.241 -1.347 -3.822 1.00 1.13 C ATOM 783 CE1 TYR A 50 -10.684 0.474 -2.439 1.00 1.13 C ATOM 784 CE2 TYR A 50 -12.228 -0.016 -4.201 1.00 1.24 C ATOM 785 CZ TYR A 50 -11.454 0.893 -3.490 1.00 1.17 C ATOM 786 OH TYR A 50 -11.434 2.207 -3.893 1.00 1.34 O ATOM 0 H TYR A 50 -11.928 -5.532 -1.345 1.00 0.87 H new ATOM 0 HA TYR A 50 -11.652 -2.825 -0.212 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -10.469 -3.608 -2.337 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -12.043 -3.804 -3.083 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -10.099 -1.186 -1.218 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -12.849 -2.055 -4.365 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -10.066 1.182 -1.907 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -12.816 0.314 -5.045 1.00 1.24 H new ATOM 0 HH TYR A 50 -12.040 2.325 -4.654 1.00 1.34 H new ATOM 796 N HIS A 51 -14.456 -4.064 -0.511 1.00 1.28 N ATOM 797 CA HIS A 51 -15.916 -3.880 -0.488 1.00 1.53 C ATOM 798 C HIS A 51 -16.524 -4.754 0.613 1.00 1.61 C ATOM 799 O HIS A 51 -15.840 -5.607 1.185 1.00 2.07 O ATOM 800 CB HIS A 51 -16.527 -4.267 -1.854 1.00 2.01 C ATOM 801 CG HIS A 51 -16.714 -3.110 -2.789 1.00 2.54 C ATOM 802 ND1 HIS A 51 -17.744 -2.211 -2.682 1.00 3.19 N ATOM 803 CD2 HIS A 51 -16.012 -2.706 -3.877 1.00 2.89 C ATOM 804 CE1 HIS A 51 -17.691 -1.314 -3.633 1.00 3.87 C ATOM 805 NE2 HIS A 51 -16.639 -1.583 -4.389 1.00 3.74 N ATOM 0 H HIS A 51 -14.145 -4.956 -0.126 1.00 1.28 H new ATOM 0 HA HIS A 51 -16.137 -2.832 -0.288 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -15.884 -5.006 -2.332 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -17.492 -4.745 -1.686 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -15.124 -3.176 -4.273 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -18.384 -0.498 -3.776 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -16.341 -1.054 -5.208 1.00 3.74 H new ATOM 813 N SER A 52 -17.821 -4.562 0.883 1.00 1.60 N ATOM 814 CA SER A 52 -18.542 -5.355 1.894 1.00 1.96 C ATOM 815 C SER A 52 -18.655 -6.795 1.395 1.00 1.85 C ATOM 816 O SER A 52 -18.126 -7.729 2.006 1.00 2.45 O ATOM 817 CB SER A 52 -19.937 -4.754 2.142 1.00 2.44 C ATOM 818 OG SER A 52 -20.420 -4.078 0.980 1.00 2.65 O ATOM 0 H SER A 52 -18.397 -3.862 0.415 1.00 1.60 H new ATOM 0 HA SER A 52 -17.998 -5.340 2.838 1.00 1.96 H new ATOM 0 HB2 SER A 52 -20.633 -5.545 2.422 1.00 2.44 H new ATOM 0 HB3 SER A 52 -19.893 -4.058 2.979 1.00 2.44 H new ATOM 0 HG SER A 52 -21.308 -3.707 1.163 1.00 2.65 H new ATOM 824 N GLU A 53 -19.303 -6.943 0.242 1.00 1.45 N ATOM 825 CA GLU A 53 -19.463 -8.236 -0.418 1.00 1.37 C ATOM 826 C GLU A 53 -18.427 -8.321 -1.536 1.00 1.08 C ATOM 827 O GLU A 53 -18.672 -7.862 -2.653 1.00 1.24 O ATOM 828 CB GLU A 53 -20.875 -8.371 -0.993 1.00 1.73 C ATOM 829 CG GLU A 53 -21.913 -8.580 0.113 1.00 2.39 C ATOM 830 CD GLU A 53 -23.306 -8.747 -0.486 1.00 2.88 C ATOM 831 OE1 GLU A 53 -23.415 -8.924 -1.714 1.00 3.46 O ATOM 832 OE2 GLU A 53 -24.298 -8.715 0.272 1.00 3.23 O ATOM 0 H GLU A 53 -19.733 -6.168 -0.262 1.00 1.45 H new ATOM 0 HA GLU A 53 -19.316 -9.045 0.298 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -21.124 -7.476 -1.563 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -20.908 -9.210 -1.688 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -21.655 -9.461 0.700 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -21.903 -7.729 0.794 1.00 2.39 H new ATOM 839 N VAL A 54 -17.257 -8.870 -1.215 1.00 0.84 N ATOM 840 CA VAL A 54 -16.151 -8.986 -2.176 1.00 0.66 C ATOM 841 C VAL A 54 -16.448 -10.035 -3.260 1.00 0.55 C ATOM 842 O VAL A 54 -16.295 -9.747 -4.447 1.00 0.49 O ATOM 843 CB VAL A 54 -14.820 -9.317 -1.455 1.00 0.81 C ATOM 844 CG1 VAL A 54 -13.647 -8.629 -2.159 1.00 0.77 C ATOM 845 CG2 VAL A 54 -14.867 -8.907 0.024 1.00 1.34 C ATOM 0 H VAL A 54 -17.045 -9.245 -0.291 1.00 0.84 H new ATOM 0 HA VAL A 54 -16.048 -8.018 -2.667 1.00 0.66 H new ATOM 0 HB VAL A 54 -14.677 -10.397 -1.499 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -12.719 -8.871 -1.641 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -13.588 -8.976 -3.191 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -13.798 -7.550 -2.147 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -13.918 -9.153 0.500 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -15.043 -7.834 0.099 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -15.674 -9.443 0.525 1.00 1.34 H new ATOM 855 N PRO A 55 -16.864 -11.266 -2.870 1.00 0.62 N ATOM 856 CA PRO A 55 -17.164 -12.350 -3.820 1.00 0.59 C ATOM 857 C PRO A 55 -18.630 -12.352 -4.271 1.00 0.58 C ATOM 858 O PRO A 55 -19.536 -12.559 -3.459 1.00 0.83 O ATOM 859 CB PRO A 55 -16.836 -13.612 -3.018 1.00 0.76 C ATOM 860 CG PRO A 55 -16.987 -13.237 -1.571 1.00 0.87 C ATOM 861 CD PRO A 55 -17.075 -11.723 -1.485 1.00 0.83 C ATOM 0 HA PRO A 55 -16.595 -12.255 -4.745 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -17.510 -14.427 -3.282 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -15.823 -13.955 -3.228 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -17.882 -13.695 -1.150 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -16.139 -13.603 -0.992 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -18.044 -11.402 -1.104 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -16.318 -11.318 -0.813 1.00 0.83 H new ATOM 869 N VAL A 56 -18.851 -12.137 -5.564 1.00 0.41 N ATOM 870 CA VAL A 56 -20.197 -12.129 -6.149 1.00 0.43 C ATOM 871 C VAL A 56 -20.339 -13.324 -7.096 1.00 0.42 C ATOM 872 O VAL A 56 -19.411 -13.650 -7.842 1.00 0.43 O ATOM 873 CB VAL A 56 -20.439 -10.805 -6.891 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.747 -10.847 -7.682 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.456 -9.633 -5.907 1.00 0.63 C ATOM 0 H VAL A 56 -18.106 -11.963 -6.239 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.945 -12.214 -5.361 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.619 -10.663 -7.595 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.892 -9.897 -8.196 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.704 -11.653 -8.414 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.579 -11.021 -7.000 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.629 -8.704 -6.451 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -21.253 -9.781 -5.179 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.498 -9.578 -5.390 1.00 0.63 H new ATOM 885 N SER A 57 -21.495 -13.984 -7.050 1.00 0.47 N ATOM 886 CA SER A 57 -21.775 -15.152 -7.875 1.00 0.48 C ATOM 887 C SER A 57 -21.952 -14.778 -9.353 1.00 0.46 C ATOM 888 O SER A 57 -22.791 -13.945 -9.697 1.00 0.59 O ATOM 889 CB SER A 57 -23.035 -15.824 -7.357 1.00 0.61 C ATOM 890 OG SER A 57 -22.856 -16.286 -6.022 1.00 0.91 O ATOM 0 H SER A 57 -22.265 -13.720 -6.436 1.00 0.47 H new ATOM 0 HA SER A 57 -20.926 -15.832 -7.812 1.00 0.48 H new ATOM 0 HB2 SER A 57 -23.867 -15.121 -7.394 1.00 0.61 H new ATOM 0 HB3 SER A 57 -23.296 -16.662 -8.003 1.00 0.61 H new ATOM 0 HG SER A 57 -21.899 -16.342 -5.821 1.00 0.91 H new ATOM 896 N LEU A 58 -21.169 -15.430 -10.211 1.00 0.44 N ATOM 897 CA LEU A 58 -21.221 -15.222 -11.664 1.00 0.49 C ATOM 898 C LEU A 58 -21.763 -16.493 -12.331 1.00 0.60 C ATOM 899 O LEU A 58 -21.317 -16.890 -13.405 1.00 0.89 O ATOM 900 CB LEU A 58 -19.813 -14.883 -12.191 1.00 0.67 C ATOM 901 CG LEU A 58 -19.865 -14.103 -13.514 1.00 0.70 C ATOM 902 CD1 LEU A 58 -20.317 -12.659 -13.281 1.00 0.60 C ATOM 903 CD2 LEU A 58 -18.498 -14.138 -14.201 1.00 0.86 C ATOM 0 H LEU A 58 -20.477 -16.121 -9.921 1.00 0.44 H new ATOM 0 HA LEU A 58 -21.883 -14.389 -11.900 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.278 -14.295 -11.445 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -19.249 -15.804 -12.335 1.00 0.67 H new ATOM 0 HG LEU A 58 -20.596 -14.580 -14.167 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -20.345 -12.129 -14.233 1.00 0.60 H new ATOM 0 HD12 LEU A 58 -21.311 -12.657 -12.834 1.00 0.60 H new ATOM 0 HD13 LEU A 58 -19.617 -12.162 -12.610 1.00 0.60 H new ATOM 0 HD21 LEU A 58 -18.547 -13.582 -15.137 1.00 0.86 H new ATOM 0 HD22 LEU A 58 -17.751 -13.685 -13.549 1.00 0.86 H new ATOM 0 HD23 LEU A 58 -18.221 -15.172 -14.407 1.00 0.86 H new ATOM 915 N LYS A 59 -22.725 -17.132 -11.664 1.00 0.70 N ATOM 916 CA LYS A 59 -23.345 -18.368 -12.153 1.00 0.90 C ATOM 917 C LYS A 59 -24.483 -18.043 -13.122 1.00 0.87 C ATOM 918 O LYS A 59 -25.549 -17.591 -12.701 1.00 0.95 O ATOM 919 CB LYS A 59 -23.879 -19.169 -10.958 1.00 1.13 C ATOM 920 CG LYS A 59 -24.386 -20.551 -11.371 1.00 1.41 C ATOM 921 CD LYS A 59 -24.937 -21.316 -10.165 1.00 1.78 C ATOM 922 CE LYS A 59 -26.123 -22.206 -10.550 1.00 2.18 C ATOM 923 NZ LYS A 59 -25.768 -23.150 -11.645 1.00 2.83 N ATOM 0 H LYS A 59 -23.097 -16.809 -10.771 1.00 0.70 H new ATOM 0 HA LYS A 59 -22.601 -18.961 -12.685 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -23.089 -19.280 -10.215 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -24.688 -18.614 -10.483 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -25.165 -20.446 -12.126 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -23.575 -21.119 -11.827 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -24.147 -21.930 -9.732 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -25.248 -20.608 -9.397 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -26.455 -22.769 -9.677 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -26.960 -21.582 -10.864 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -26.390 -23.982 -11.601 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -25.887 -22.677 -12.563 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -24.778 -23.451 -11.537 1.00 2.83 H new ATOM 937 N GLU A 60 -24.241 -18.267 -14.417 1.00 0.89 N ATOM 938 CA GLU A 60 -25.226 -18.001 -15.480 1.00 0.93 C ATOM 939 C GLU A 60 -25.546 -16.505 -15.544 1.00 0.71 C ATOM 940 O GLU A 60 -26.691 -16.090 -15.351 1.00 0.82 O ATOM 941 CB GLU A 60 -26.506 -18.829 -15.265 1.00 1.20 C ATOM 942 CG GLU A 60 -26.215 -20.342 -15.307 1.00 1.43 C ATOM 943 CD GLU A 60 -27.132 -21.113 -14.361 1.00 1.80 C ATOM 944 OE1 GLU A 60 -28.227 -20.603 -14.041 1.00 2.04 O ATOM 945 OE2 GLU A 60 -26.766 -22.224 -13.930 1.00 2.33 O ATOM 0 H GLU A 60 -23.356 -18.639 -14.763 1.00 0.89 H new ATOM 0 HA GLU A 60 -24.793 -18.302 -16.434 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -26.951 -18.570 -14.304 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -27.237 -18.577 -16.033 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -26.346 -20.711 -16.324 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -25.175 -20.522 -15.034 1.00 1.43 H new ATOM 952 N ALA A 61 -24.513 -15.706 -15.809 1.00 0.51 N ATOM 953 CA ALA A 61 -24.645 -14.248 -15.899 1.00 0.35 C ATOM 954 C ALA A 61 -24.837 -13.816 -17.353 1.00 0.35 C ATOM 955 O ALA A 61 -24.189 -14.349 -18.257 1.00 0.43 O ATOM 956 CB ALA A 61 -23.400 -13.571 -15.311 1.00 0.31 C ATOM 0 H ALA A 61 -23.565 -16.047 -15.967 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.521 -13.943 -15.327 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.507 -12.489 -15.382 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.290 -13.857 -14.265 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.517 -13.886 -15.868 1.00 0.31 H new ATOM 962 N ILE A 62 -25.721 -12.845 -17.570 1.00 0.34 N ATOM 963 CA ILE A 62 -26.000 -12.324 -18.908 1.00 0.37 C ATOM 964 C ILE A 62 -25.261 -11.001 -19.101 1.00 0.31 C ATOM 965 O ILE A 62 -25.346 -10.104 -18.256 1.00 0.31 O ATOM 966 CB ILE A 62 -27.506 -12.118 -19.111 1.00 0.46 C ATOM 967 CG1 ILE A 62 -28.285 -13.402 -18.797 1.00 0.53 C ATOM 968 CG2 ILE A 62 -27.792 -11.667 -20.548 1.00 0.57 C ATOM 969 CD1 ILE A 62 -29.793 -13.158 -18.803 1.00 1.27 C ATOM 0 H ILE A 62 -26.262 -12.399 -16.829 1.00 0.34 H new ATOM 0 HA ILE A 62 -25.654 -13.048 -19.646 1.00 0.37 H new ATOM 0 HB ILE A 62 -27.836 -11.341 -18.422 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -28.037 -14.168 -19.531 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -27.981 -13.784 -17.822 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -28.865 -11.525 -20.678 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -27.275 -10.728 -20.744 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -27.440 -12.428 -21.245 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -30.313 -14.089 -18.577 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -30.044 -12.410 -18.051 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -30.100 -12.801 -19.786 1.00 1.27 H new ATOM 981 N CYS A 63 -24.543 -10.884 -20.212 1.00 0.34 N ATOM 982 CA CYS A 63 -23.781 -9.680 -20.539 1.00 0.33 C ATOM 983 C CYS A 63 -24.320 -9.065 -21.836 1.00 0.34 C ATOM 984 O CYS A 63 -24.433 -9.749 -22.856 1.00 0.52 O ATOM 985 CB CYS A 63 -22.286 -10.027 -20.667 1.00 0.37 C ATOM 986 SG CYS A 63 -21.247 -9.057 -19.562 1.00 0.53 S ATOM 0 H CYS A 63 -24.471 -11.621 -20.914 1.00 0.34 H new ATOM 0 HA CYS A 63 -23.892 -8.947 -19.740 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.144 -11.087 -20.454 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -21.966 -9.863 -21.696 1.00 0.37 H new ATOM 0 HG CYS A 63 -21.892 -7.994 -19.182 1.00 0.53 H new ATOM 992 N GLU A 64 -24.667 -7.775 -21.781 1.00 0.26 N ATOM 993 CA GLU A 64 -25.215 -7.046 -22.936 1.00 0.29 C ATOM 994 C GLU A 64 -24.390 -5.782 -23.200 1.00 0.24 C ATOM 995 O GLU A 64 -24.339 -4.890 -22.358 1.00 0.36 O ATOM 996 CB GLU A 64 -26.679 -6.650 -22.674 1.00 0.33 C ATOM 997 CG GLU A 64 -27.472 -7.753 -21.964 1.00 0.81 C ATOM 998 CD GLU A 64 -28.883 -7.267 -21.661 1.00 1.41 C ATOM 999 OE1 GLU A 64 -29.766 -7.397 -22.535 1.00 1.83 O ATOM 1000 OE2 GLU A 64 -29.110 -6.729 -20.558 1.00 1.96 O ATOM 0 H GLU A 64 -24.577 -7.206 -20.939 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.170 -7.699 -23.807 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -26.703 -5.744 -22.069 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.162 -6.413 -23.622 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -27.512 -8.644 -22.590 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -26.969 -8.036 -21.039 1.00 0.81 H new ATOM 1007 N VAL A 65 -23.753 -5.703 -24.367 1.00 0.34 N ATOM 1008 CA VAL A 65 -22.934 -4.539 -24.735 1.00 0.32 C ATOM 1009 C VAL A 65 -23.818 -3.325 -25.070 1.00 0.31 C ATOM 1010 O VAL A 65 -24.821 -3.442 -25.780 1.00 0.43 O ATOM 1011 CB VAL A 65 -21.994 -4.900 -25.907 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -22.681 -5.790 -26.947 1.00 0.39 C ATOM 1013 CG2 VAL A 65 -21.406 -3.651 -26.573 1.00 0.34 C ATOM 0 H VAL A 65 -23.786 -6.432 -25.080 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.318 -4.261 -23.880 1.00 0.32 H new ATOM 0 HB VAL A 65 -21.172 -5.470 -25.474 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.981 -6.017 -27.751 1.00 0.39 H new ATOM 0 HG12 VAL A 65 -23.005 -6.718 -26.475 1.00 0.39 H new ATOM 0 HG13 VAL A 65 -23.547 -5.270 -27.356 1.00 0.39 H new ATOM 0 HG21 VAL A 65 -20.751 -3.949 -27.392 1.00 0.34 H new ATOM 0 HG22 VAL A 65 -22.214 -3.032 -26.962 1.00 0.34 H new ATOM 0 HG23 VAL A 65 -20.834 -3.083 -25.840 1.00 0.34 H new ATOM 1023 N ALA A 66 -23.425 -2.163 -24.543 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.131 -0.896 -24.743 1.00 0.31 C ATOM 1025 C ALA A 66 -23.125 0.191 -25.143 1.00 0.34 C ATOM 1026 O ALA A 66 -22.494 0.825 -24.288 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.863 -0.505 -23.451 1.00 0.36 C ATOM 0 H ALA A 66 -22.595 -2.075 -23.957 1.00 0.25 H new ATOM 0 HA ALA A 66 -24.866 -1.005 -25.540 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -25.388 0.438 -23.601 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.581 -1.282 -23.190 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -24.140 -0.393 -22.643 1.00 0.36 H new ATOM 1033 N LEU A 67 -22.963 0.394 -26.447 1.00 0.55 N ATOM 1034 CA LEU A 67 -22.027 1.395 -26.978 1.00 0.71 C ATOM 1035 C LEU A 67 -22.630 2.806 -26.901 1.00 0.89 C ATOM 1036 O LEU A 67 -21.911 3.787 -26.716 1.00 1.22 O ATOM 1037 CB LEU A 67 -21.652 1.045 -28.431 1.00 0.76 C ATOM 1038 CG LEU A 67 -20.156 0.742 -28.567 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -19.890 -0.098 -29.813 1.00 1.38 C ATOM 1040 CD2 LEU A 67 -19.346 2.036 -28.610 1.00 1.39 C ATOM 0 H LEU A 67 -23.470 -0.123 -27.165 1.00 0.55 H new ATOM 0 HA LEU A 67 -21.124 1.383 -26.367 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -22.231 0.182 -28.759 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -21.917 1.875 -29.086 1.00 0.76 H new ATOM 0 HG LEU A 67 -19.842 0.170 -27.694 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -18.822 -0.303 -29.893 1.00 1.38 H new ATOM 0 HD12 LEU A 67 -20.436 -1.039 -29.741 1.00 1.38 H new ATOM 0 HD13 LEU A 67 -20.222 0.447 -30.697 1.00 1.38 H new ATOM 0 HD21 LEU A 67 -18.286 1.799 -28.707 1.00 1.39 H new ATOM 0 HD22 LEU A 67 -19.663 2.636 -29.463 1.00 1.39 H new ATOM 0 HD23 LEU A 67 -19.509 2.598 -27.691 1.00 1.39 H new ATOM 1052 N ASP A 68 -23.955 2.902 -27.057 1.00 0.90 N ATOM 1053 CA ASP A 68 -24.662 4.197 -27.017 1.00 1.14 C ATOM 1054 C ASP A 68 -24.763 4.763 -25.588 1.00 0.87 C ATOM 1055 O ASP A 68 -25.133 5.924 -25.410 1.00 1.00 O ATOM 1056 CB ASP A 68 -26.063 4.074 -27.669 1.00 1.59 C ATOM 1057 CG ASP A 68 -27.124 3.539 -26.700 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -27.223 2.304 -26.545 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -27.850 4.351 -26.092 1.00 2.62 O ATOM 0 H ASP A 68 -24.565 2.099 -27.213 1.00 0.90 H new ATOM 0 HA ASP A 68 -24.071 4.907 -27.595 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -26.374 5.051 -28.038 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -26.000 3.412 -28.533 1.00 1.59 H new ATOM 1064 N TYR A 69 -24.432 3.951 -24.573 1.00 0.81 N ATOM 1065 CA TYR A 69 -24.488 4.404 -23.171 1.00 0.69 C ATOM 1066 C TYR A 69 -23.428 5.477 -22.908 1.00 0.97 C ATOM 1067 O TYR A 69 -23.637 6.408 -22.129 1.00 1.47 O ATOM 1068 CB TYR A 69 -24.309 3.222 -22.201 1.00 0.58 C ATOM 1069 CG TYR A 69 -25.022 3.449 -20.882 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.367 3.135 -20.748 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -24.326 3.956 -19.796 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -27.008 3.326 -19.533 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.971 4.149 -18.587 1.00 0.64 C ATOM 1074 CZ TYR A 69 -26.343 3.893 -18.491 1.00 0.76 C ATOM 1075 OH TYR A 69 -26.933 4.014 -17.250 1.00 0.97 O ATOM 0 H TYR A 69 -24.125 2.986 -24.692 1.00 0.81 H new ATOM 0 HA TYR A 69 -25.472 4.839 -22.998 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -24.689 2.312 -22.666 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -23.247 3.065 -22.015 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -26.915 2.741 -21.591 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -23.279 4.201 -19.893 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -28.038 3.024 -19.414 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -24.420 4.494 -17.725 1.00 0.64 H new ATOM 0 HH TYR A 69 -27.460 3.210 -17.059 1.00 0.97 H new ATOM 1173 N HIS A 74 -17.535 2.291 -24.990 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.845 0.855 -24.850 1.00 0.38 C ATOM 1175 C HIS A 74 -18.252 0.456 -23.423 1.00 0.30 C ATOM 1176 O HIS A 74 -17.410 0.060 -22.610 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.647 -0.012 -25.307 1.00 0.64 C ATOM 1178 CG HIS A 74 -16.122 0.340 -26.675 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -15.168 1.304 -26.890 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -16.419 -0.136 -27.913 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -14.890 1.418 -28.167 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -15.640 0.549 -28.829 1.00 1.53 N ATOM 0 HA HIS A 74 -18.705 0.672 -25.494 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.840 0.091 -24.582 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -16.948 -1.060 -25.303 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -17.136 -0.911 -28.141 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -14.175 2.100 -28.602 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -15.643 0.409 -29.839 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.554 0.503 -23.149 1.00 0.26 N ATOM 1191 CA VAL A 75 -20.101 0.088 -21.854 1.00 0.23 C ATOM 1192 C VAL A 75 -20.879 -1.211 -22.075 1.00 0.22 C ATOM 1193 O VAL A 75 -21.327 -1.480 -23.186 1.00 0.26 O ATOM 1194 CB VAL A 75 -21.021 1.192 -21.291 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.877 0.690 -20.119 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.196 2.397 -20.845 1.00 0.31 C ATOM 0 H VAL A 75 -20.258 0.827 -23.812 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.303 -0.075 -21.130 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.695 1.487 -22.095 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.508 1.501 -19.756 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.505 -0.136 -20.454 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -21.227 0.348 -19.314 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.860 3.166 -20.451 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.494 2.091 -20.069 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.644 2.795 -21.696 1.00 0.31 H new ATOM 1206 N PHE A 76 -21.037 -2.019 -21.041 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.774 -3.274 -21.161 1.00 0.23 C ATOM 1208 C PHE A 76 -22.428 -3.621 -19.836 1.00 0.22 C ATOM 1209 O PHE A 76 -21.839 -3.450 -18.769 1.00 0.27 O ATOM 1210 CB PHE A 76 -20.862 -4.414 -21.649 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.710 -4.751 -20.719 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -18.516 -4.050 -20.811 1.00 0.26 C ATOM 1213 CD2 PHE A 76 -19.850 -5.746 -19.761 1.00 0.27 C ATOM 1214 CE1 PHE A 76 -17.470 -4.341 -19.949 1.00 0.28 C ATOM 1215 CE2 PHE A 76 -18.799 -6.038 -18.903 1.00 0.29 C ATOM 1216 CZ PHE A 76 -17.591 -5.396 -19.042 1.00 0.29 C ATOM 0 H PHE A 76 -20.667 -1.833 -20.109 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.556 -3.145 -21.910 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.468 -5.309 -21.793 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.456 -4.144 -22.624 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -18.401 -3.276 -21.556 1.00 0.26 H new ATOM 0 HD2 PHE A 76 -20.778 -6.293 -19.683 1.00 0.27 H new ATOM 0 HE1 PHE A 76 -16.564 -3.754 -19.979 1.00 0.28 H new ATOM 0 HE2 PHE A 76 -18.931 -6.773 -18.123 1.00 0.29 H new ATOM 0 HZ PHE A 76 -16.740 -5.706 -18.453 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.657 -4.117 -19.914 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.416 -4.503 -18.731 1.00 0.28 C ATOM 1228 C LYS A 77 -24.064 -5.931 -18.333 1.00 0.31 C ATOM 1229 O LYS A 77 -23.753 -6.766 -19.182 1.00 0.58 O ATOM 1230 CB LYS A 77 -25.931 -4.421 -18.984 1.00 0.36 C ATOM 1231 CG LYS A 77 -26.341 -3.141 -19.724 1.00 1.20 C ATOM 1232 CD LYS A 77 -27.723 -2.646 -19.266 1.00 1.33 C ATOM 1233 CE LYS A 77 -28.870 -3.418 -19.934 1.00 1.76 C ATOM 1234 NZ LYS A 77 -29.411 -4.493 -19.044 1.00 1.95 N ATOM 0 H LYS A 77 -24.153 -4.262 -20.793 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.155 -3.810 -17.931 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.245 -5.288 -19.565 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.457 -4.469 -18.031 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -25.598 -2.363 -19.548 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -26.358 -3.329 -20.798 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -27.802 -2.747 -18.184 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -27.821 -1.585 -19.495 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -29.670 -2.726 -20.195 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -28.516 -3.861 -20.865 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -30.449 -4.502 -19.102 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -29.039 -5.415 -19.348 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -29.121 -4.310 -18.062 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.155 -6.195 -17.048 1.00 0.23 N ATOM 1249 CA LEU A 78 -23.895 -7.513 -16.485 1.00 0.24 C ATOM 1250 C LEU A 78 -25.021 -7.804 -15.502 1.00 0.29 C ATOM 1251 O LEU A 78 -25.048 -7.273 -14.388 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.515 -7.543 -15.804 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.070 -8.958 -15.401 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -22.384 -9.208 -13.931 1.00 0.86 C ATOM 1255 CD2 LEU A 78 -22.708 -10.041 -16.278 1.00 0.30 C ATOM 0 H LEU A 78 -24.414 -5.496 -16.352 1.00 0.23 H new ATOM 0 HA LEU A 78 -23.871 -8.280 -17.260 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -21.774 -7.115 -16.479 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -22.541 -6.911 -14.917 1.00 0.30 H new ATOM 0 HG LEU A 78 -20.993 -9.017 -15.555 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -22.065 -10.213 -13.657 1.00 0.86 H new ATOM 0 HD12 LEU A 78 -21.855 -8.479 -13.317 1.00 0.86 H new ATOM 0 HD13 LEU A 78 -23.457 -9.111 -13.767 1.00 0.86 H new ATOM 0 HD21 LEU A 78 -22.362 -11.022 -15.953 1.00 0.30 H new ATOM 0 HD22 LEU A 78 -23.793 -9.990 -16.187 1.00 0.30 H new ATOM 0 HD23 LEU A 78 -22.423 -9.882 -17.318 1.00 0.30 H new ATOM 1267 N ARG A 79 -25.976 -8.605 -15.955 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.163 -8.953 -15.179 1.00 0.40 C ATOM 1269 C ARG A 79 -27.165 -10.437 -14.831 1.00 0.45 C ATOM 1270 O ARG A 79 -27.074 -11.289 -15.719 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.396 -8.601 -16.018 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.714 -8.892 -15.295 1.00 1.11 C ATOM 1273 CD ARG A 79 -30.883 -8.208 -16.010 1.00 1.51 C ATOM 1274 NE ARG A 79 -32.095 -8.278 -15.196 1.00 1.91 N ATOM 1275 CZ ARG A 79 -33.153 -7.518 -15.462 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -33.081 -6.204 -15.301 1.00 2.99 N ATOM 1277 NH2 ARG A 79 -34.268 -8.072 -15.907 1.00 2.93 N ATOM 0 H ARG A 79 -25.950 -9.036 -16.879 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.171 -8.396 -14.242 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.359 -7.544 -16.283 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.367 -9.165 -16.950 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.884 -9.968 -15.256 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -29.655 -8.541 -14.265 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -30.634 -7.166 -16.212 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -31.057 -8.687 -16.974 1.00 1.51 H new ATOM 0 HE ARG A 79 -32.130 -8.924 -14.407 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -32.215 -5.777 -14.973 1.00 2.99 H new ATOM 0 HH12 ARG A 79 -33.892 -5.620 -15.505 1.00 2.99 H new ATOM 0 HH21 ARG A 79 -34.316 -9.081 -16.046 1.00 2.93 H new ATOM 0 HH22 ARG A 79 -35.080 -7.490 -16.111 1.00 2.93 H new ATOM 1291 N LEU A 80 -27.292 -10.743 -13.540 1.00 0.54 N ATOM 1292 CA LEU A 80 -27.338 -12.132 -13.067 1.00 0.68 C ATOM 1293 C LEU A 80 -28.740 -12.711 -13.315 1.00 0.84 C ATOM 1294 O LEU A 80 -29.700 -11.958 -13.517 1.00 1.06 O ATOM 1295 CB LEU A 80 -26.991 -12.191 -11.574 1.00 0.82 C ATOM 1296 CG LEU A 80 -25.632 -11.546 -11.273 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -25.388 -11.496 -9.766 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -24.502 -12.304 -11.967 1.00 1.26 C ATOM 0 H LEU A 80 -27.365 -10.047 -12.798 1.00 0.54 H new ATOM 0 HA LEU A 80 -26.606 -12.726 -13.615 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -27.768 -11.684 -11.001 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -26.980 -13.230 -11.245 1.00 0.82 H new ATOM 0 HG LEU A 80 -25.648 -10.527 -11.660 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -24.420 -11.036 -9.569 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -26.173 -10.908 -9.290 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -25.397 -12.508 -9.362 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -23.549 -11.827 -11.738 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -24.485 -13.335 -11.614 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -24.664 -12.292 -13.045 1.00 1.26 H new ATOM 1310 N SER A 81 -28.853 -14.039 -13.307 1.00 1.01 N ATOM 1311 CA SER A 81 -30.137 -14.730 -13.544 1.00 1.23 C ATOM 1312 C SER A 81 -31.225 -14.273 -12.561 1.00 1.40 C ATOM 1313 O SER A 81 -32.376 -14.065 -12.944 1.00 1.92 O ATOM 1314 CB SER A 81 -29.944 -16.256 -13.452 1.00 1.52 C ATOM 1315 OG SER A 81 -29.028 -16.611 -12.415 1.00 2.18 O ATOM 0 H SER A 81 -28.069 -14.669 -13.138 1.00 1.01 H new ATOM 0 HA SER A 81 -30.471 -14.467 -14.548 1.00 1.23 H new ATOM 0 HB2 SER A 81 -30.906 -16.734 -13.267 1.00 1.52 H new ATOM 0 HB3 SER A 81 -29.578 -16.635 -14.406 1.00 1.52 H new ATOM 0 HG SER A 81 -28.931 -17.586 -12.384 1.00 2.18 H new ATOM 1321 N ASP A 82 -30.847 -14.116 -11.295 1.00 1.33 N ATOM 1322 CA ASP A 82 -31.766 -13.686 -10.237 1.00 1.76 C ATOM 1323 C ASP A 82 -30.946 -13.161 -9.054 1.00 1.31 C ATOM 1324 O ASP A 82 -30.932 -13.768 -7.982 1.00 1.74 O ATOM 1325 CB ASP A 82 -32.654 -14.869 -9.801 1.00 2.76 C ATOM 1326 CG ASP A 82 -33.740 -14.433 -8.813 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -34.184 -13.268 -8.895 1.00 3.98 O ATOM 1328 OD2 ASP A 82 -34.154 -15.246 -7.960 1.00 3.77 O ATOM 0 H ASP A 82 -29.895 -14.283 -10.970 1.00 1.33 H new ATOM 0 HA ASP A 82 -32.415 -12.892 -10.606 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -33.120 -15.316 -10.679 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -32.034 -15.639 -9.342 1.00 2.76 H new ATOM 1333 N GLY A 83 -30.243 -12.044 -9.260 1.00 1.09 N ATOM 1334 CA GLY A 83 -29.408 -11.455 -8.215 1.00 1.53 C ATOM 1335 C GLY A 83 -29.405 -9.931 -8.295 1.00 1.31 C ATOM 1336 O GLY A 83 -30.269 -9.273 -7.685 1.00 1.88 O ATOM 0 H GLY A 83 -30.237 -11.531 -10.142 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -29.772 -11.768 -7.237 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -28.388 -11.827 -8.310 1.00 1.53 H new ATOM 1340 N ASN A 84 -28.420 -9.381 -9.040 1.00 0.93 N ATOM 1341 CA ASN A 84 -28.249 -7.933 -9.212 1.00 0.71 C ATOM 1342 C ASN A 84 -27.864 -7.651 -10.663 1.00 0.62 C ATOM 1343 O ASN A 84 -27.499 -8.579 -11.396 1.00 0.65 O ATOM 1344 CB ASN A 84 -27.115 -7.428 -8.302 1.00 0.84 C ATOM 1345 CG ASN A 84 -27.408 -7.654 -6.819 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -28.534 -7.484 -6.356 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -26.383 -8.028 -6.074 1.00 1.32 N ATOM 0 H ASN A 84 -27.723 -9.936 -9.537 1.00 0.93 H new ATOM 0 HA ASN A 84 -29.180 -7.428 -8.954 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -26.188 -7.936 -8.567 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -26.958 -6.364 -8.480 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -26.510 -8.187 -5.074 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -25.465 -8.158 -6.498 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.916 -6.377 -11.064 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.553 -5.956 -12.412 1.00 0.55 C ATOM 1356 C GLU A 85 -26.617 -4.743 -12.296 1.00 0.47 C ATOM 1357 O GLU A 85 -26.896 -3.798 -11.552 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.837 -5.634 -13.213 1.00 0.70 C ATOM 1359 CG GLU A 85 -28.705 -4.368 -14.061 1.00 1.16 C ATOM 1360 CD GLU A 85 -29.784 -4.322 -15.139 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -30.965 -4.584 -14.823 1.00 1.39 O ATOM 1362 OE2 GLU A 85 -29.451 -4.020 -16.304 1.00 1.43 O ATOM 0 H GLU A 85 -28.212 -5.611 -10.459 1.00 0.59 H new ATOM 0 HA GLU A 85 -27.029 -6.746 -12.950 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.076 -6.477 -13.862 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -29.671 -5.517 -12.521 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -28.784 -3.488 -13.423 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -27.719 -4.337 -14.525 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.502 -4.788 -13.021 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.497 -3.715 -12.997 1.00 0.31 C ATOM 1371 C TYR A 86 -24.086 -3.315 -14.418 1.00 0.29 C ATOM 1372 O TYR A 86 -24.176 -4.120 -15.345 1.00 0.40 O ATOM 1373 CB TYR A 86 -23.225 -4.183 -12.261 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.448 -4.928 -10.957 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -24.016 -6.189 -10.982 1.00 0.53 C ATOM 1376 CD2 TYR A 86 -23.132 -4.341 -9.738 1.00 0.57 C ATOM 1377 CE1 TYR A 86 -24.258 -6.867 -9.800 1.00 0.62 C ATOM 1378 CE2 TYR A 86 -23.383 -5.020 -8.557 1.00 0.67 C ATOM 1379 CZ TYR A 86 -23.766 -6.292 -8.569 1.00 0.63 C ATOM 1380 OH TYR A 86 -24.197 -6.955 -7.417 1.00 0.77 O ATOM 0 H TYR A 86 -25.265 -5.563 -13.641 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.947 -2.865 -12.484 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.657 -4.827 -12.932 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.605 -3.310 -12.057 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -24.271 -6.646 -11.927 1.00 0.53 H new ATOM 0 HD2 TYR A 86 -22.691 -3.356 -9.711 1.00 0.57 H new ATOM 0 HE1 TYR A 86 -24.800 -7.801 -9.798 1.00 0.62 H new ATOM 0 HE2 TYR A 86 -23.266 -4.508 -7.613 1.00 0.67 H new ATOM 0 HH TYR A 86 -23.825 -6.512 -6.626 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.565 -2.092 -14.560 1.00 0.24 N ATOM 1391 CA LEU A 87 -23.045 -1.590 -15.840 1.00 0.23 C ATOM 1392 C LEU A 87 -21.526 -1.521 -15.712 1.00 0.22 C ATOM 1393 O LEU A 87 -21.014 -1.072 -14.680 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.573 -0.188 -16.191 1.00 0.26 C ATOM 1395 CG LEU A 87 -25.098 -0.077 -16.144 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.559 1.173 -16.893 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.781 -1.315 -16.722 1.00 0.38 C ATOM 0 H LEU A 87 -23.491 -1.422 -13.794 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.371 -2.262 -16.634 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -23.143 0.536 -15.499 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -23.228 0.081 -17.189 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.387 -0.001 -15.096 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.646 1.241 -16.853 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -25.122 2.057 -16.429 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -25.238 1.113 -17.933 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.863 -1.192 -16.668 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.482 -1.443 -17.762 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.487 -2.194 -16.149 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.816 -1.970 -16.737 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.354 -1.972 -16.731 1.00 0.19 C ATOM 1411 C PHE A 88 -18.812 -1.193 -17.929 1.00 0.20 C ATOM 1412 O PHE A 88 -19.286 -1.360 -19.053 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.845 -3.417 -16.749 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.888 -4.064 -15.382 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.941 -3.748 -14.417 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.885 -4.976 -15.093 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -18.000 -4.344 -13.170 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -19.943 -5.573 -13.850 1.00 0.25 C ATOM 1419 CZ PHE A 88 -18.931 -5.239 -12.875 1.00 0.22 C ATOM 0 H PHE A 88 -21.230 -2.341 -17.592 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.999 -1.482 -15.824 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.448 -4.002 -17.443 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.821 -3.434 -17.123 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.159 -3.037 -14.640 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.622 -5.223 -15.843 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.271 -4.074 -12.420 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.728 -6.275 -13.611 1.00 0.25 H new ATOM 0 HZ PHE A 88 -18.933 -5.718 -11.907 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.825 -0.338 -17.671 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.196 0.494 -18.706 1.00 0.26 C ATOM 1431 C GLN A 89 -15.740 0.071 -18.911 1.00 0.22 C ATOM 1432 O GLN A 89 -14.950 0.073 -17.960 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.262 1.969 -18.283 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.769 2.916 -19.392 1.00 0.52 C ATOM 1435 CD GLN A 89 -15.708 3.874 -18.851 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -14.538 3.809 -19.233 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -16.113 4.760 -17.957 1.00 1.63 N ATOM 0 H GLN A 89 -17.435 -0.199 -16.739 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.731 0.363 -19.647 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.289 2.224 -18.020 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -16.658 2.116 -17.388 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -16.355 2.335 -20.216 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -17.609 3.484 -19.792 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -17.091 4.781 -17.667 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -15.448 5.422 -17.558 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.396 -0.268 -20.156 1.00 0.22 N ATOM 1447 CA ALA A 90 -14.032 -0.681 -20.522 1.00 0.24 C ATOM 1448 C ALA A 90 -13.310 0.475 -21.225 1.00 0.27 C ATOM 1449 O ALA A 90 -13.940 1.450 -21.636 1.00 0.32 O ATOM 1450 CB ALA A 90 -14.089 -1.908 -21.443 1.00 0.29 C ATOM 0 H ALA A 90 -16.050 -0.265 -20.939 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.481 -0.944 -19.619 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -13.076 -2.209 -21.711 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.587 -2.728 -20.926 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.644 -1.659 -22.347 1.00 0.29 H new ATOM 1456 N LYS A 91 -11.988 0.370 -21.368 1.00 0.35 N ATOM 1457 CA LYS A 91 -11.196 1.423 -22.028 1.00 0.44 C ATOM 1458 C LYS A 91 -10.998 1.134 -23.522 1.00 0.49 C ATOM 1459 O LYS A 91 -10.693 2.048 -24.295 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.833 1.589 -21.340 1.00 0.65 C ATOM 1461 CG LYS A 91 -9.177 0.246 -21.004 1.00 1.26 C ATOM 1462 CD LYS A 91 -9.288 -0.059 -19.509 1.00 1.43 C ATOM 1463 CE LYS A 91 -8.471 -1.294 -19.121 1.00 1.86 C ATOM 1464 NZ LYS A 91 -9.142 -2.083 -18.051 1.00 2.29 N ATOM 0 H LYS A 91 -11.441 -0.426 -21.040 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.757 2.353 -21.937 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.170 2.161 -21.989 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -9.960 2.167 -20.424 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.653 -0.549 -21.577 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -8.128 0.266 -21.298 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -8.942 0.801 -18.935 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -10.334 -0.217 -19.247 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -8.323 -1.923 -19.999 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -7.483 -0.985 -18.780 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -8.522 -2.135 -17.217 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -10.037 -1.622 -17.789 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -9.336 -3.044 -18.398 1.00 2.29 H new ATOM 1478 N ASP A 92 -11.165 -0.130 -23.931 1.00 0.49 N ATOM 1479 CA ASP A 92 -10.991 -0.520 -25.338 1.00 0.66 C ATOM 1480 C ASP A 92 -12.105 -1.466 -25.798 1.00 0.59 C ATOM 1481 O ASP A 92 -12.743 -2.151 -24.990 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.622 -1.196 -25.538 1.00 0.84 C ATOM 1483 CG ASP A 92 -9.240 -1.211 -27.018 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -8.641 -0.227 -27.498 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -9.521 -2.220 -27.693 1.00 2.01 O ATOM 0 H ASP A 92 -11.420 -0.899 -23.311 1.00 0.49 H new ATOM 0 HA ASP A 92 -11.041 0.386 -25.941 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -8.861 -0.665 -24.966 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.655 -2.216 -25.155 1.00 0.84 H new ATOM 1490 N ASP A 93 -12.294 -1.509 -27.119 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.288 -2.370 -27.776 1.00 0.63 C ATOM 1492 C ASP A 93 -12.936 -3.844 -27.545 1.00 0.49 C ATOM 1493 O ASP A 93 -13.799 -4.663 -27.217 1.00 0.54 O ATOM 1494 CB ASP A 93 -13.288 -2.053 -29.285 1.00 0.83 C ATOM 1495 CG ASP A 93 -14.472 -2.681 -30.022 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -15.176 -3.530 -29.446 1.00 2.21 O ATOM 1497 OD2 ASP A 93 -14.689 -2.328 -31.199 1.00 2.13 O ATOM 0 H ASP A 93 -11.756 -0.941 -27.773 1.00 0.62 H new ATOM 0 HA ASP A 93 -14.278 -2.184 -27.360 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -13.311 -0.972 -29.425 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -12.359 -2.412 -29.727 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.650 -4.166 -27.709 1.00 0.41 N ATOM 1503 CA GLU A 94 -11.148 -5.529 -27.518 1.00 0.41 C ATOM 1504 C GLU A 94 -11.402 -6.009 -26.085 1.00 0.36 C ATOM 1505 O GLU A 94 -11.857 -7.131 -25.875 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.652 -5.578 -27.838 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.386 -5.270 -29.321 1.00 1.21 C ATOM 1508 CD GLU A 94 -9.005 -6.536 -30.085 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -9.660 -7.576 -29.882 1.00 2.59 O ATOM 1510 OE2 GLU A 94 -8.053 -6.491 -30.888 1.00 2.43 O ATOM 0 H GLU A 94 -10.931 -3.493 -27.976 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.682 -6.195 -28.196 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -9.121 -4.859 -27.214 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -9.258 -6.564 -27.593 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -10.275 -4.825 -29.768 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -8.585 -4.536 -29.405 1.00 1.21 H new ATOM 1517 N GLU A 95 -11.122 -5.140 -25.106 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.327 -5.461 -23.686 1.00 0.29 C ATOM 1519 C GLU A 95 -12.803 -5.768 -23.403 1.00 0.24 C ATOM 1520 O GLU A 95 -13.120 -6.764 -22.752 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.857 -4.302 -22.803 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.408 -4.815 -21.432 1.00 0.42 C ATOM 1523 CD GLU A 95 -10.554 -3.738 -20.367 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -10.751 -2.558 -20.717 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -10.464 -4.078 -19.171 1.00 1.30 O ATOM 0 H GLU A 95 -10.751 -4.204 -25.271 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.737 -6.347 -23.452 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -10.033 -3.779 -23.289 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.665 -3.581 -22.680 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -11.001 -5.687 -21.155 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.369 -5.140 -21.485 1.00 0.42 H new ATOM 1532 N MET A 96 -13.701 -4.915 -23.911 1.00 0.24 N ATOM 1533 CA MET A 96 -15.153 -5.093 -23.736 1.00 0.22 C ATOM 1534 C MET A 96 -15.584 -6.479 -24.243 1.00 0.22 C ATOM 1535 O MET A 96 -16.309 -7.202 -23.559 1.00 0.23 O ATOM 1536 CB MET A 96 -15.901 -3.984 -24.491 1.00 0.26 C ATOM 1537 CG MET A 96 -17.422 -4.184 -24.468 1.00 0.39 C ATOM 1538 SD MET A 96 -18.049 -4.917 -25.993 1.00 0.94 S ATOM 1539 CE MET A 96 -17.841 -3.550 -27.148 1.00 0.77 C ATOM 0 H MET A 96 -13.448 -4.088 -24.451 1.00 0.24 H new ATOM 0 HA MET A 96 -15.399 -5.027 -22.676 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.658 -3.018 -24.048 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.557 -3.956 -25.525 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.688 -4.823 -23.626 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.909 -3.222 -24.305 1.00 0.39 H new ATOM 0 HE1 MET A 96 -18.459 -3.721 -28.029 1.00 0.77 H new ATOM 0 HE2 MET A 96 -18.143 -2.619 -26.668 1.00 0.77 H new ATOM 0 HE3 MET A 96 -16.795 -3.482 -27.446 1.00 0.77 H new ATOM 1549 N ASN A 97 -15.102 -6.846 -25.432 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.405 -8.151 -26.040 1.00 0.28 C ATOM 1551 C ASN A 97 -14.778 -9.289 -25.213 1.00 0.26 C ATOM 1552 O ASN A 97 -15.374 -10.354 -25.064 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.880 -8.176 -27.486 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.397 -9.392 -28.266 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -16.498 -9.886 -28.024 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -14.598 -9.872 -29.210 1.00 1.24 N ATOM 0 H ASN A 97 -14.495 -6.255 -26.000 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.485 -8.300 -26.052 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -15.183 -7.262 -27.997 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.790 -8.189 -27.476 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -14.890 -10.677 -29.764 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -13.692 -9.436 -29.382 1.00 1.24 H new ATOM 1563 N THR A 98 -13.582 -9.052 -24.663 1.00 0.25 N ATOM 1564 CA THR A 98 -12.885 -10.051 -23.836 1.00 0.27 C ATOM 1565 C THR A 98 -13.671 -10.316 -22.540 1.00 0.23 C ATOM 1566 O THR A 98 -13.837 -11.467 -22.127 1.00 0.27 O ATOM 1567 CB THR A 98 -11.462 -9.565 -23.509 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.729 -9.349 -24.708 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.711 -10.567 -22.627 1.00 0.39 C ATOM 0 H THR A 98 -13.073 -8.175 -24.774 1.00 0.25 H new ATOM 0 HA THR A 98 -12.817 -10.984 -24.396 1.00 0.27 H new ATOM 0 HB THR A 98 -11.555 -8.628 -22.959 1.00 0.31 H new ATOM 0 HG1 THR A 98 -11.156 -8.637 -25.229 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.710 -10.189 -22.418 1.00 0.39 H new ATOM 0 HG22 THR A 98 -11.251 -10.703 -21.690 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.636 -11.523 -23.145 1.00 0.39 H new ATOM 1577 N TRP A 99 -14.164 -9.239 -21.915 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.946 -9.340 -20.677 1.00 0.20 C ATOM 1579 C TRP A 99 -16.268 -10.072 -20.946 1.00 0.21 C ATOM 1580 O TRP A 99 -16.620 -11.009 -20.232 1.00 0.24 O ATOM 1581 CB TRP A 99 -15.222 -7.936 -20.104 1.00 0.21 C ATOM 1582 CG TRP A 99 -14.050 -7.335 -19.370 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.343 -6.221 -19.732 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.458 -7.803 -18.134 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.368 -5.996 -18.804 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.407 -6.934 -17.820 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.715 -8.869 -17.269 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.625 -7.098 -16.688 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -12.934 -9.041 -16.132 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.898 -8.163 -15.843 1.00 0.29 C ATOM 0 H TRP A 99 -14.034 -8.284 -22.249 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.372 -9.909 -19.945 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.507 -7.271 -20.919 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -16.073 -7.992 -19.426 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.527 -5.618 -20.609 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.699 -5.227 -18.843 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.519 -9.558 -17.483 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.821 -6.412 -16.469 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.135 -9.867 -15.466 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.301 -8.310 -14.955 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.984 -9.647 -21.994 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.263 -10.263 -22.380 1.00 0.24 C ATOM 1603 C ILE A 100 -18.076 -11.753 -22.716 1.00 0.28 C ATOM 1604 O ILE A 100 -18.909 -12.579 -22.345 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.877 -9.501 -23.573 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.396 -8.132 -23.121 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.017 -10.292 -24.224 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.941 -7.312 -24.292 1.00 0.29 C ATOM 0 H ILE A 100 -16.698 -8.874 -22.595 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.950 -10.198 -21.536 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.089 -9.367 -24.314 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -20.181 -8.269 -22.378 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.590 -7.581 -22.636 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.424 -9.723 -25.060 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.637 -11.247 -24.586 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.803 -10.469 -23.489 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -20.298 -6.349 -23.927 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -19.149 -7.151 -25.024 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.764 -7.850 -24.761 1.00 0.29 H new ATOM 1620 N GLN A 101 -16.984 -12.091 -23.412 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.690 -13.484 -23.791 1.00 0.35 C ATOM 1622 C GLN A 101 -16.562 -14.381 -22.551 1.00 0.36 C ATOM 1623 O GLN A 101 -17.162 -15.457 -22.481 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.380 -13.544 -24.591 1.00 0.40 C ATOM 1625 CG GLN A 101 -15.607 -13.311 -26.087 1.00 0.48 C ATOM 1626 CD GLN A 101 -14.278 -13.379 -26.840 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -13.861 -14.446 -27.292 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -13.603 -12.245 -26.969 1.00 1.76 N ATOM 0 H GLN A 101 -16.285 -11.418 -23.727 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.517 -13.846 -24.402 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -14.688 -12.794 -24.209 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -14.910 -14.516 -24.443 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -16.294 -14.061 -26.479 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -16.073 -12.338 -26.244 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -13.980 -11.380 -26.581 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -12.707 -12.238 -27.456 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.768 -13.928 -21.579 1.00 0.32 N ATOM 1638 CA ALA A 102 -15.533 -14.680 -20.341 1.00 0.37 C ATOM 1639 C ALA A 102 -16.787 -14.724 -19.461 1.00 0.38 C ATOM 1640 O ALA A 102 -17.189 -15.792 -19.002 1.00 0.48 O ATOM 1641 CB ALA A 102 -14.375 -14.050 -19.561 1.00 0.38 C ATOM 0 H ALA A 102 -15.273 -13.037 -21.625 1.00 0.32 H new ATOM 0 HA ALA A 102 -15.279 -15.704 -20.615 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -14.206 -14.613 -18.643 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.472 -14.070 -20.171 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.622 -13.018 -19.313 1.00 0.38 H new ATOM 1647 N ILE A 103 -17.389 -13.558 -19.224 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.591 -13.441 -18.383 1.00 0.38 C ATOM 1649 C ILE A 103 -19.764 -14.262 -18.945 1.00 0.47 C ATOM 1650 O ILE A 103 -20.460 -14.940 -18.192 1.00 0.55 O ATOM 1651 CB ILE A 103 -18.982 -11.962 -18.244 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -17.888 -11.179 -17.503 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.316 -11.805 -17.512 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -17.950 -9.682 -17.812 1.00 0.35 C ATOM 0 H ILE A 103 -17.063 -12.670 -19.605 1.00 0.33 H new ATOM 0 HA ILE A 103 -18.358 -13.847 -17.399 1.00 0.38 H new ATOM 0 HB ILE A 103 -19.092 -11.557 -19.250 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -17.995 -11.333 -16.429 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -16.909 -11.568 -17.784 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.564 -10.747 -17.430 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -21.099 -12.319 -18.069 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.237 -12.237 -16.514 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.159 -9.165 -17.268 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -17.816 -9.526 -18.882 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -18.919 -9.287 -17.506 1.00 0.35 H new ATOM 1666 N SER A 104 -19.974 -14.209 -20.263 1.00 0.53 N ATOM 1667 CA SER A 104 -21.066 -14.960 -20.909 1.00 0.66 C ATOM 1668 C SER A 104 -20.817 -16.477 -20.849 1.00 0.72 C ATOM 1669 O SER A 104 -21.747 -17.268 -21.021 1.00 0.89 O ATOM 1670 CB SER A 104 -21.226 -14.518 -22.368 1.00 0.81 C ATOM 1671 OG SER A 104 -21.494 -13.123 -22.442 1.00 1.05 O ATOM 0 H SER A 104 -19.407 -13.657 -20.906 1.00 0.53 H new ATOM 0 HA SER A 104 -21.984 -14.743 -20.363 1.00 0.66 H new ATOM 0 HB2 SER A 104 -20.318 -14.749 -22.925 1.00 0.81 H new ATOM 0 HB3 SER A 104 -22.038 -15.075 -22.835 1.00 0.81 H new ATOM 0 HG SER A 104 -20.650 -12.625 -22.407 1.00 1.05 H new ATOM 1677 N SER A 105 -19.567 -16.878 -20.591 1.00 0.80 N ATOM 1678 CA SER A 105 -19.200 -18.299 -20.490 1.00 1.13 C ATOM 1679 C SER A 105 -19.380 -18.823 -19.053 1.00 1.23 C ATOM 1680 O SER A 105 -19.063 -19.979 -18.767 1.00 1.61 O ATOM 1681 CB SER A 105 -17.744 -18.482 -20.933 1.00 1.48 C ATOM 1682 OG SER A 105 -17.583 -18.097 -22.295 1.00 1.63 O ATOM 0 H SER A 105 -18.787 -16.236 -20.447 1.00 0.80 H new ATOM 0 HA SER A 105 -19.860 -18.872 -21.141 1.00 1.13 H new ATOM 0 HB2 SER A 105 -17.088 -17.884 -20.300 1.00 1.48 H new ATOM 0 HB3 SER A 105 -17.448 -19.523 -20.806 1.00 1.48 H new ATOM 0 HG SER A 105 -17.640 -17.121 -22.368 1.00 1.63 H new ATOM 1688 N ALA A 106 -19.890 -17.969 -18.163 1.00 1.29 N ATOM 1689 CA ALA A 106 -20.118 -18.326 -16.758 1.00 1.59 C ATOM 1690 C ALA A 106 -21.619 -18.363 -16.463 1.00 2.40 C ATOM 1691 O ALA A 106 -22.081 -19.325 -15.816 1.00 3.00 O ATOM 1692 CB ALA A 106 -19.424 -17.306 -15.850 1.00 1.90 C ATOM 1693 OXT ALA A 106 -22.339 -17.437 -16.887 1.00 3.05 O ATOM 0 H ALA A 106 -20.157 -17.012 -18.394 1.00 1.29 H new ATOM 0 HA ALA A 106 -19.702 -19.315 -16.566 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -19.594 -17.572 -14.807 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -18.353 -17.306 -16.054 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -19.830 -16.313 -16.042 1.00 1.90 H new