USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=24 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= -0.545 K(o=-0.45,f=-3.6!) USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0.0955 USER MOD Set 2.1: A 24 HIS : no HE2:sc=0.000347 X(o=0.0012,f=-0.13) USER MOD Set 2.2: A 50 TYR OH : rot -150:sc=0.000818 USER MOD Set 3.1: A 8 LYS NZ :NH3+ -108:sc= 1.68 (180deg=-2.3!) USER MOD Set 3.2: A 69 TYR OH : rot 15:sc= 0.579 USER MOD Set 4.1: A 6 ASN : amide:sc= 0.585 K(o=0.88,f=-0.92) USER MOD Set 4.2: A 89 GLN : amide:sc= 0.296 K(o=0.88,f=-3.4!) USER MOD Single : A 9 HIS :FLIP no HD1:sc= -0.219 F(o=-1.3,f=-0.22) USER MOD Single : A 22 SER OG : rot 24:sc= 0.145 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -78:sc= 0.132 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 32 ASN : amide:sc= -0.0428 K(o=-0.043,f=-1.8) USER MOD Single : A 33 GLN : amide:sc= 0.0484 X(o=0.048,f=-0.052) USER MOD Single : A 35 MET CE :methyl 174:sc= 0 (180deg=-0.0652) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -152:sc= 1.26 (180deg=1.12) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -160:sc= -0.135 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0413 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 180:sc= -0.171 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 77 LYS NZ :NH3+ -126:sc= 1.18 (180deg=0.51) USER MOD Single : A 81 SER OG : rot -119:sc= 1.37 USER MOD Single : A 91 LYS NZ :NH3+ 163:sc= -0.125 (180deg=-0.486) USER MOD Single : A 96 MET CE :methyl -130:sc= -0.278 (180deg=-3.94!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 90:sc= 1.25 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 93:sc= 1.26 USER MOD Single : A 105 SER OG : rot 75:sc= 0.218 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -8.306 -10.954 -15.240 1.00 0.51 N ATOM 21 CA GLU A 2 -8.311 -9.867 -14.252 1.00 0.37 C ATOM 22 C GLU A 2 -7.942 -8.546 -14.929 1.00 0.34 C ATOM 23 O GLU A 2 -7.215 -8.529 -15.927 1.00 0.48 O ATOM 24 CB GLU A 2 -7.301 -10.148 -13.127 1.00 0.53 C ATOM 25 CG GLU A 2 -7.406 -11.581 -12.580 1.00 0.96 C ATOM 26 CD GLU A 2 -6.372 -12.486 -13.240 1.00 1.61 C ATOM 27 OE1 GLU A 2 -5.174 -12.368 -12.915 1.00 2.09 O ATOM 28 OE2 GLU A 2 -6.763 -13.326 -14.078 1.00 2.16 O ATOM 0 HA GLU A 2 -9.312 -9.801 -13.826 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -6.291 -9.979 -13.500 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -7.463 -9.440 -12.314 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -7.256 -11.576 -11.500 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -8.407 -11.972 -12.761 1.00 0.96 H new ATOM 35 N GLY A 3 -8.433 -7.441 -14.378 1.00 0.25 N ATOM 36 CA GLY A 3 -8.142 -6.115 -14.923 1.00 0.28 C ATOM 37 C GLY A 3 -9.026 -5.044 -14.290 1.00 0.22 C ATOM 38 O GLY A 3 -9.970 -5.350 -13.550 1.00 0.22 O ATOM 0 H GLY A 3 -9.035 -7.435 -13.554 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -7.094 -5.872 -14.751 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.294 -6.123 -16.002 1.00 0.28 H new ATOM 42 N PHE A 4 -8.720 -3.783 -14.600 1.00 0.24 N ATOM 43 CA PHE A 4 -9.485 -2.641 -14.091 1.00 0.21 C ATOM 44 C PHE A 4 -10.776 -2.494 -14.886 1.00 0.22 C ATOM 45 O PHE A 4 -10.823 -2.812 -16.075 1.00 0.27 O ATOM 46 CB PHE A 4 -8.663 -1.354 -14.193 1.00 0.23 C ATOM 47 CG PHE A 4 -7.694 -1.185 -13.046 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.133 -0.711 -11.818 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.358 -1.504 -13.223 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.238 -0.561 -10.772 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.465 -1.352 -12.176 1.00 0.41 C ATOM 52 CZ PHE A 4 -5.927 -0.866 -10.934 1.00 0.41 C ATOM 0 H PHE A 4 -7.941 -3.525 -15.206 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.722 -2.818 -13.042 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.110 -1.355 -15.132 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.338 -0.499 -14.221 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.174 -0.459 -11.678 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.013 -1.871 -14.178 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -7.588 -0.197 -9.817 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.423 -1.603 -12.309 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.237 -0.737 -10.113 1.00 0.41 H new ATOM 62 N LEU A 5 -11.820 -2.027 -14.220 1.00 0.19 N ATOM 63 CA LEU A 5 -13.134 -1.849 -14.839 1.00 0.21 C ATOM 64 C LEU A 5 -13.930 -0.769 -14.102 1.00 0.20 C ATOM 65 O LEU A 5 -13.818 -0.615 -12.883 1.00 0.21 O ATOM 66 CB LEU A 5 -13.917 -3.175 -14.779 1.00 0.23 C ATOM 67 CG LEU A 5 -13.912 -3.931 -16.111 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.641 -5.264 -15.954 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.556 -3.100 -17.223 1.00 0.31 C ATOM 0 H LEU A 5 -11.786 -1.760 -13.236 1.00 0.19 H new ATOM 0 HA LEU A 5 -12.991 -1.545 -15.876 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.487 -3.810 -14.005 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -14.947 -2.970 -14.487 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.876 -4.119 -16.393 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.634 -5.797 -16.905 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.139 -5.866 -15.197 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.671 -5.082 -15.648 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.537 -3.664 -18.156 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.588 -2.873 -16.957 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -14.002 -2.170 -17.350 1.00 0.31 H new ATOM 81 N ASN A 6 -14.776 -0.062 -14.846 1.00 0.22 N ATOM 82 CA ASN A 6 -15.652 0.967 -14.273 1.00 0.23 C ATOM 83 C ASN A 6 -16.941 0.266 -13.845 1.00 0.22 C ATOM 84 O ASN A 6 -17.640 -0.279 -14.685 1.00 0.26 O ATOM 85 CB ASN A 6 -15.925 2.072 -15.316 1.00 0.28 C ATOM 86 CG ASN A 6 -15.791 3.470 -14.707 1.00 0.72 C ATOM 87 OD1 ASN A 6 -16.041 3.678 -13.517 1.00 1.49 O ATOM 88 ND2 ASN A 6 -15.406 4.434 -15.531 1.00 1.24 N ATOM 0 H ASN A 6 -14.877 -0.181 -15.854 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.189 1.452 -13.414 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -15.227 1.969 -16.147 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.928 1.947 -15.724 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -15.307 5.389 -15.187 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -15.209 4.221 -16.509 1.00 1.24 H new ATOM 95 N ARG A 7 -17.217 0.223 -12.541 1.00 0.23 N ATOM 96 CA ARG A 7 -18.402 -0.476 -12.013 1.00 0.24 C ATOM 97 C ARG A 7 -19.481 0.510 -11.557 1.00 0.25 C ATOM 98 O ARG A 7 -19.221 1.409 -10.756 1.00 0.32 O ATOM 99 CB ARG A 7 -17.975 -1.367 -10.831 1.00 0.28 C ATOM 100 CG ARG A 7 -19.176 -2.005 -10.111 1.00 0.34 C ATOM 101 CD ARG A 7 -18.768 -3.245 -9.304 1.00 0.54 C ATOM 102 NE ARG A 7 -17.695 -2.921 -8.349 1.00 0.95 N ATOM 103 CZ ARG A 7 -17.773 -3.217 -7.047 1.00 1.16 C ATOM 104 NH1 ARG A 7 -18.068 -4.451 -6.655 1.00 1.46 N ATOM 105 NH2 ARG A 7 -17.559 -2.281 -6.138 1.00 1.71 N ATOM 0 H ARG A 7 -16.638 0.663 -11.825 1.00 0.23 H new ATOM 0 HA ARG A 7 -18.827 -1.085 -12.811 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.313 -2.153 -11.193 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -17.403 -0.772 -10.119 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -19.631 -1.272 -9.445 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.933 -2.282 -10.844 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -19.633 -3.635 -8.767 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -18.433 -4.030 -9.981 1.00 0.54 H new ATOM 0 HE ARG A 7 -16.858 -2.452 -8.695 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -18.237 -5.180 -7.348 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -18.126 -4.670 -5.660 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -17.334 -1.330 -6.429 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -17.619 -2.510 -5.146 1.00 1.71 H new ATOM 119 N LYS A 8 -20.700 0.304 -12.054 1.00 0.27 N ATOM 120 CA LYS A 8 -21.859 1.123 -11.701 1.00 0.29 C ATOM 121 C LYS A 8 -23.004 0.199 -11.311 1.00 0.29 C ATOM 122 O LYS A 8 -23.521 -0.537 -12.155 1.00 0.38 O ATOM 123 CB LYS A 8 -22.277 1.992 -12.889 1.00 0.36 C ATOM 124 CG LYS A 8 -23.220 3.124 -12.465 1.00 0.37 C ATOM 125 CD LYS A 8 -24.211 3.491 -13.578 1.00 0.50 C ATOM 126 CE LYS A 8 -25.598 2.883 -13.329 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.635 3.490 -14.216 1.00 1.02 N ATOM 0 H LYS A 8 -20.913 -0.441 -12.717 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.604 1.778 -10.868 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.389 2.416 -13.359 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.769 1.371 -13.638 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.770 2.823 -11.574 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -22.634 4.003 -12.196 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.296 4.576 -13.646 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -23.827 3.141 -14.536 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -25.559 1.807 -13.498 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.879 3.032 -12.286 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.257 4.105 -13.653 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -26.171 4.053 -14.958 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -27.200 2.736 -14.656 1.00 1.02 H new ATOM 141 N HIS A 9 -23.400 0.233 -10.041 1.00 0.43 N ATOM 142 CA HIS A 9 -24.493 -0.609 -9.554 1.00 0.52 C ATOM 143 C HIS A 9 -25.837 0.070 -9.842 1.00 0.58 C ATOM 144 O HIS A 9 -26.182 1.093 -9.252 1.00 0.73 O ATOM 145 CB HIS A 9 -24.316 -0.949 -8.054 1.00 0.68 C ATOM 146 CG HIS A 9 -24.311 0.219 -7.105 1.00 0.88 C ATOM 147 ND1 HIS A 9 -24.175 1.558 -7.295 1.00 1.21 N flip ATOM 148 CD2 HIS A 9 -24.455 0.069 -5.752 1.00 1.22 C flip ATOM 149 CE1 HIS A 9 -24.243 2.167 -6.055 1.00 1.69 C flip ATOM 150 NE2 HIS A 9 -24.415 1.226 -5.141 1.00 1.75 N flip ATOM 0 H HIS A 9 -22.982 0.833 -9.330 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.475 -1.559 -10.087 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -25.117 -1.627 -7.759 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -23.379 -1.492 -7.934 1.00 0.68 H new ATOM 0 HD2 HIS A 9 -24.585 -0.880 -5.254 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -24.169 3.228 -5.866 1.00 1.69 H new ATOM 0 HE2 HIS A 9 -24.501 1.376 -4.136 1.00 1.75 H new ATOM 158 N GLU A 10 -26.578 -0.501 -10.784 1.00 0.60 N ATOM 159 CA GLU A 10 -27.879 0.027 -11.193 1.00 0.73 C ATOM 160 C GLU A 10 -28.967 -0.442 -10.228 1.00 0.83 C ATOM 161 O GLU A 10 -29.753 0.360 -9.724 1.00 1.00 O ATOM 162 CB GLU A 10 -28.190 -0.455 -12.622 1.00 0.79 C ATOM 163 CG GLU A 10 -29.448 0.206 -13.197 1.00 1.28 C ATOM 164 CD GLU A 10 -29.136 1.612 -13.688 1.00 1.19 C ATOM 165 OE1 GLU A 10 -28.651 1.756 -14.823 1.00 1.52 O ATOM 166 OE2 GLU A 10 -29.362 2.575 -12.932 1.00 1.72 O ATOM 0 H GLU A 10 -26.296 -1.342 -11.287 1.00 0.60 H new ATOM 0 HA GLU A 10 -27.852 1.117 -11.174 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.340 -0.239 -13.269 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -28.320 -1.537 -12.618 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -29.838 -0.394 -14.019 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -30.226 0.245 -12.434 1.00 1.28 H new ATOM 173 N TRP A 11 -29.015 -1.749 -9.989 1.00 0.82 N ATOM 174 CA TRP A 11 -30.019 -2.338 -9.109 1.00 0.96 C ATOM 175 C TRP A 11 -29.431 -3.544 -8.372 1.00 0.94 C ATOM 176 O TRP A 11 -28.963 -4.501 -8.989 1.00 0.84 O ATOM 177 CB TRP A 11 -31.238 -2.725 -9.969 1.00 1.08 C ATOM 178 CG TRP A 11 -32.342 -3.430 -9.234 1.00 1.26 C ATOM 179 CD1 TRP A 11 -33.289 -2.871 -8.424 1.00 1.54 C ATOM 180 CD2 TRP A 11 -32.620 -4.841 -9.272 1.00 1.26 C ATOM 181 NE1 TRP A 11 -34.111 -3.862 -7.964 1.00 1.67 N ATOM 182 CE2 TRP A 11 -33.732 -5.071 -8.459 1.00 1.51 C ATOM 183 CE3 TRP A 11 -32.022 -5.925 -9.912 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -34.260 -6.339 -8.281 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -32.541 -7.197 -9.741 1.00 1.35 C ATOM 186 CH2 TRP A 11 -33.648 -7.403 -8.929 1.00 1.53 C ATOM 0 H TRP A 11 -28.367 -2.424 -10.395 1.00 0.82 H new ATOM 0 HA TRP A 11 -30.334 -1.626 -8.347 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -31.645 -1.821 -10.422 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -30.899 -3.365 -10.784 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -33.374 -1.821 -8.186 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -34.901 -3.715 -7.335 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -31.156 -5.773 -10.540 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -35.125 -6.496 -7.654 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -32.081 -8.035 -10.243 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -34.037 -8.402 -8.800 1.00 1.53 H new ATOM 353 N SER A 22 -22.041 6.116 -7.880 1.00 1.32 N ATOM 354 CA SER A 22 -22.205 5.502 -9.203 1.00 0.74 C ATOM 355 C SER A 22 -20.940 5.713 -10.048 1.00 0.68 C ATOM 356 O SER A 22 -20.358 6.796 -10.039 1.00 1.69 O ATOM 357 CB SER A 22 -23.421 6.114 -9.914 1.00 1.62 C ATOM 358 OG SER A 22 -24.584 6.026 -9.095 1.00 1.86 O ATOM 0 HA SER A 22 -22.366 4.431 -9.078 1.00 0.74 H new ATOM 0 HB2 SER A 22 -23.219 7.158 -10.156 1.00 1.62 H new ATOM 0 HB3 SER A 22 -23.595 5.596 -10.857 1.00 1.62 H new ATOM 0 HG SER A 22 -24.317 5.958 -8.154 1.00 1.86 H new ATOM 364 N TRP A 23 -20.525 4.656 -10.753 1.00 0.69 N ATOM 365 CA TRP A 23 -19.322 4.662 -11.605 1.00 0.41 C ATOM 366 C TRP A 23 -18.066 4.739 -10.739 1.00 0.40 C ATOM 367 O TRP A 23 -17.520 5.815 -10.487 1.00 0.55 O ATOM 368 CB TRP A 23 -19.368 5.787 -12.670 1.00 0.43 C ATOM 369 CG TRP A 23 -20.311 5.445 -13.786 1.00 0.40 C ATOM 370 CD1 TRP A 23 -21.417 6.139 -14.192 1.00 0.45 C ATOM 371 CD2 TRP A 23 -20.228 4.279 -14.627 1.00 0.34 C ATOM 372 NE1 TRP A 23 -22.010 5.450 -15.218 1.00 0.42 N ATOM 373 CE2 TRP A 23 -21.310 4.314 -15.509 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.336 3.212 -14.702 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.518 3.309 -16.450 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.532 2.212 -15.634 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.614 2.257 -16.504 1.00 0.31 C ATOM 0 H TRP A 23 -21.016 3.762 -10.751 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.293 3.725 -12.161 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.679 6.721 -12.202 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -18.368 5.950 -13.073 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.765 7.072 -13.775 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.859 5.746 -15.699 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.491 3.167 -14.031 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.363 3.347 -17.122 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.837 1.387 -15.687 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.753 1.468 -17.228 1.00 0.31 H new ATOM 388 N HIS A 24 -17.649 3.566 -10.271 1.00 0.37 N ATOM 389 CA HIS A 24 -16.492 3.399 -9.402 1.00 0.45 C ATOM 390 C HIS A 24 -15.418 2.569 -10.113 1.00 0.36 C ATOM 391 O HIS A 24 -15.663 1.419 -10.491 1.00 0.34 O ATOM 392 CB HIS A 24 -16.963 2.680 -8.126 1.00 0.61 C ATOM 393 CG HIS A 24 -16.062 2.873 -6.948 1.00 1.18 C ATOM 394 ND1 HIS A 24 -16.515 3.271 -5.719 1.00 2.08 N ATOM 395 CD2 HIS A 24 -14.725 2.718 -6.799 1.00 1.66 C ATOM 396 CE1 HIS A 24 -15.529 3.364 -4.863 1.00 2.98 C ATOM 397 NE2 HIS A 24 -14.410 3.031 -5.490 1.00 2.74 N ATOM 0 H HIS A 24 -18.117 2.687 -10.491 1.00 0.37 H new ATOM 0 HA HIS A 24 -16.059 4.368 -9.152 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -17.961 3.036 -7.869 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -17.049 1.613 -8.333 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -17.491 3.469 -5.499 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -14.030 2.406 -7.565 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -15.613 3.660 -3.828 1.00 2.98 H new ATOM 405 N ASN A 25 -14.228 3.149 -10.278 1.00 0.37 N ATOM 406 CA ASN A 25 -13.096 2.463 -10.923 1.00 0.35 C ATOM 407 C ASN A 25 -12.551 1.397 -9.962 1.00 0.34 C ATOM 408 O ASN A 25 -11.975 1.725 -8.921 1.00 0.55 O ATOM 409 CB ASN A 25 -12.006 3.488 -11.283 1.00 0.44 C ATOM 410 CG ASN A 25 -10.816 2.819 -11.981 1.00 0.99 C ATOM 411 OD1 ASN A 25 -10.979 2.131 -12.989 1.00 1.71 O ATOM 412 ND2 ASN A 25 -9.624 3.021 -11.440 1.00 1.49 N ATOM 0 H ASN A 25 -14.018 4.099 -9.973 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.422 1.978 -11.843 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -12.427 4.255 -11.933 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.664 3.990 -10.378 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -8.795 2.599 -11.859 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -9.535 3.599 -10.604 1.00 1.49 H new ATOM 419 N VAL A 26 -12.773 0.127 -10.293 1.00 0.22 N ATOM 420 CA VAL A 26 -12.351 -0.990 -9.446 1.00 0.21 C ATOM 421 C VAL A 26 -11.660 -2.088 -10.269 1.00 0.18 C ATOM 422 O VAL A 26 -11.767 -2.129 -11.494 1.00 0.23 O ATOM 423 CB VAL A 26 -13.598 -1.542 -8.726 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.495 -2.332 -9.687 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.214 -2.403 -7.523 1.00 0.31 C ATOM 0 H VAL A 26 -13.247 -0.157 -11.150 1.00 0.22 H new ATOM 0 HA VAL A 26 -11.621 -0.641 -8.716 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.163 -0.684 -8.361 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.365 -2.707 -9.148 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -14.823 -1.680 -10.497 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -13.935 -3.171 -10.101 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.117 -2.776 -7.039 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -12.607 -3.245 -7.857 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -12.643 -1.803 -6.814 1.00 0.31 H new ATOM 435 N TYR A 27 -10.964 -2.983 -9.571 1.00 0.16 N ATOM 436 CA TYR A 27 -10.254 -4.108 -10.186 1.00 0.16 C ATOM 437 C TYR A 27 -11.099 -5.372 -10.020 1.00 0.19 C ATOM 438 O TYR A 27 -11.428 -5.753 -8.897 1.00 0.34 O ATOM 439 CB TYR A 27 -8.891 -4.279 -9.502 1.00 0.17 C ATOM 440 CG TYR A 27 -7.931 -5.164 -10.262 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.090 -4.619 -11.215 1.00 0.28 C ATOM 442 CD2 TYR A 27 -7.879 -6.521 -9.993 1.00 0.26 C ATOM 443 CE1 TYR A 27 -6.201 -5.428 -11.899 1.00 0.33 C ATOM 444 CE2 TYR A 27 -6.992 -7.331 -10.678 1.00 0.30 C ATOM 445 CZ TYR A 27 -6.154 -6.783 -11.628 1.00 0.29 C ATOM 446 OH TYR A 27 -5.268 -7.596 -12.304 1.00 0.37 O ATOM 0 H TYR A 27 -10.875 -2.950 -8.555 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.092 -3.922 -11.248 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.437 -3.297 -9.369 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.045 -4.697 -8.507 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -7.128 -3.560 -11.425 1.00 0.28 H new ATOM 0 HD2 TYR A 27 -8.533 -6.948 -9.247 1.00 0.26 H new ATOM 0 HE1 TYR A 27 -5.545 -5.002 -12.643 1.00 0.33 H new ATOM 0 HE2 TYR A 27 -6.955 -8.390 -10.470 1.00 0.30 H new ATOM 0 HH TYR A 27 -5.366 -8.519 -11.990 1.00 0.37 H new ATOM 456 N CYS A 28 -11.467 -6.003 -11.133 1.00 0.16 N ATOM 457 CA CYS A 28 -12.297 -7.217 -11.113 1.00 0.19 C ATOM 458 C CYS A 28 -11.457 -8.460 -11.418 1.00 0.19 C ATOM 459 O CYS A 28 -10.522 -8.408 -12.224 1.00 0.23 O ATOM 460 CB CYS A 28 -13.428 -7.078 -12.140 1.00 0.23 C ATOM 461 SG CYS A 28 -14.247 -5.473 -12.052 1.00 0.34 S ATOM 0 H CYS A 28 -11.204 -5.695 -12.069 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.722 -7.335 -10.116 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -13.024 -7.222 -13.142 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.162 -7.867 -11.976 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.066 -5.459 -11.043 1.00 0.34 H new ATOM 467 N VAL A 29 -11.794 -9.572 -10.763 1.00 0.21 N ATOM 468 CA VAL A 29 -11.094 -10.848 -10.934 1.00 0.24 C ATOM 469 C VAL A 29 -12.114 -11.987 -11.009 1.00 0.26 C ATOM 470 O VAL A 29 -12.874 -12.201 -10.064 1.00 0.38 O ATOM 471 CB VAL A 29 -10.143 -11.086 -9.745 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.456 -12.453 -9.849 1.00 0.37 C ATOM 473 CG2 VAL A 29 -9.100 -9.970 -9.645 1.00 0.33 C ATOM 0 H VAL A 29 -12.564 -9.614 -10.095 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.515 -10.817 -11.857 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.745 -11.077 -8.836 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.791 -12.592 -8.996 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -10.210 -13.240 -9.853 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.877 -12.500 -10.771 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.442 -10.162 -8.798 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.512 -9.939 -10.562 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.603 -9.013 -9.504 1.00 0.33 H new ATOM 483 N ILE A 30 -12.112 -12.728 -12.122 1.00 0.28 N ATOM 484 CA ILE A 30 -13.025 -13.869 -12.308 1.00 0.32 C ATOM 485 C ILE A 30 -12.439 -15.095 -11.596 1.00 0.35 C ATOM 486 O ILE A 30 -11.249 -15.399 -11.749 1.00 0.44 O ATOM 487 CB ILE A 30 -13.232 -14.155 -13.807 1.00 0.40 C ATOM 488 CG1 ILE A 30 -13.651 -12.874 -14.536 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.283 -15.255 -14.019 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.144 -13.160 -15.956 1.00 0.57 C ATOM 0 H ILE A 30 -11.488 -12.560 -12.911 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.998 -13.633 -11.878 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.286 -14.506 -14.220 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.440 -12.377 -13.971 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -12.806 -12.187 -14.577 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.409 -15.437 -15.086 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -13.953 -16.172 -13.531 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.233 -14.938 -13.590 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.431 -12.225 -16.437 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -13.347 -13.633 -16.529 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -15.006 -13.826 -15.915 1.00 0.57 H new ATOM 502 N ASN A 31 -13.270 -15.773 -10.802 1.00 0.46 N ATOM 503 CA ASN A 31 -12.842 -16.950 -10.035 1.00 0.58 C ATOM 504 C ASN A 31 -13.894 -18.063 -10.112 1.00 0.71 C ATOM 505 O ASN A 31 -14.784 -18.154 -9.262 1.00 1.20 O ATOM 506 CB ASN A 31 -12.596 -16.535 -8.569 1.00 0.73 C ATOM 507 CG ASN A 31 -12.041 -17.698 -7.739 1.00 0.93 C ATOM 508 OD1 ASN A 31 -11.058 -18.337 -8.119 1.00 1.27 O ATOM 509 ND2 ASN A 31 -12.666 -17.965 -6.601 1.00 1.47 N ATOM 0 H ASN A 31 -14.251 -15.526 -10.671 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.918 -17.339 -10.461 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -11.896 -15.700 -8.539 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -13.529 -16.185 -8.128 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -12.336 -18.723 -6.004 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -13.477 -17.412 -6.322 1.00 1.47 H new ATOM 516 N ASN A 32 -13.773 -18.912 -11.133 1.00 0.85 N ATOM 517 CA ASN A 32 -14.683 -20.050 -11.352 1.00 1.00 C ATOM 518 C ASN A 32 -16.135 -19.572 -11.567 1.00 1.00 C ATOM 519 O ASN A 32 -16.435 -18.951 -12.587 1.00 1.97 O ATOM 520 CB ASN A 32 -14.564 -21.047 -10.176 1.00 1.24 C ATOM 521 CG ASN A 32 -15.129 -22.426 -10.538 1.00 1.73 C ATOM 522 OD1 ASN A 32 -15.814 -22.592 -11.550 1.00 2.06 O ATOM 523 ND2 ASN A 32 -14.851 -23.418 -9.707 1.00 2.52 N ATOM 0 H ASN A 32 -13.040 -18.834 -11.838 1.00 0.85 H new ATOM 0 HA ASN A 32 -14.391 -20.569 -12.265 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -13.517 -21.147 -9.889 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -15.096 -20.652 -9.310 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -15.207 -24.355 -9.895 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -14.281 -23.245 -8.879 1.00 2.52 H new ATOM 530 N GLN A 33 -17.023 -19.858 -10.608 1.00 0.75 N ATOM 531 CA GLN A 33 -18.439 -19.462 -10.689 1.00 0.67 C ATOM 532 C GLN A 33 -18.707 -18.229 -9.807 1.00 0.56 C ATOM 533 O GLN A 33 -19.847 -18.023 -9.330 1.00 0.71 O ATOM 534 CB GLN A 33 -19.325 -20.649 -10.257 1.00 0.83 C ATOM 535 CG GLN A 33 -20.500 -20.865 -11.219 1.00 1.46 C ATOM 536 CD GLN A 33 -20.012 -21.448 -12.547 1.00 1.85 C ATOM 537 OE1 GLN A 33 -19.670 -22.627 -12.628 1.00 2.11 O ATOM 538 NE2 GLN A 33 -19.979 -20.628 -13.587 1.00 2.67 N ATOM 0 H GLN A 33 -16.785 -20.368 -9.757 1.00 0.75 H new ATOM 0 HA GLN A 33 -18.681 -19.193 -11.717 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -18.721 -21.555 -10.212 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -19.707 -20.470 -9.252 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -21.228 -21.538 -10.766 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -21.009 -19.918 -11.397 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -20.271 -19.657 -13.480 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -19.662 -20.968 -14.495 1.00 2.67 H new ATOM 547 N GLU A 34 -17.649 -17.416 -9.606 1.00 0.53 N ATOM 548 CA GLU A 34 -17.707 -16.195 -8.802 1.00 0.49 C ATOM 549 C GLU A 34 -16.742 -15.159 -9.379 1.00 0.45 C ATOM 550 O GLU A 34 -15.918 -15.467 -10.243 1.00 0.64 O ATOM 551 CB GLU A 34 -17.296 -16.482 -7.348 1.00 0.61 C ATOM 552 CG GLU A 34 -18.211 -17.505 -6.667 1.00 1.25 C ATOM 553 CD GLU A 34 -17.659 -17.866 -5.296 1.00 1.42 C ATOM 554 OE1 GLU A 34 -17.303 -16.947 -4.532 1.00 1.79 O ATOM 555 OE2 GLU A 34 -17.608 -19.068 -4.966 1.00 1.89 O ATOM 0 H GLU A 34 -16.727 -17.597 -10.004 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.730 -15.820 -8.822 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -16.270 -16.850 -7.330 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -17.311 -15.552 -6.780 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -19.216 -17.096 -6.567 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -18.291 -18.401 -7.283 1.00 1.25 H new ATOM 562 N MET A 35 -16.820 -13.944 -8.863 1.00 0.36 N ATOM 563 CA MET A 35 -15.939 -12.854 -9.268 1.00 0.35 C ATOM 564 C MET A 35 -15.701 -11.955 -8.057 1.00 0.32 C ATOM 565 O MET A 35 -16.619 -11.703 -7.270 1.00 0.42 O ATOM 566 CB MET A 35 -16.517 -12.068 -10.463 1.00 0.41 C ATOM 567 CG MET A 35 -17.790 -11.293 -10.117 1.00 0.43 C ATOM 568 SD MET A 35 -18.352 -10.274 -11.494 1.00 0.60 S ATOM 569 CE MET A 35 -19.969 -9.743 -10.912 1.00 1.25 C ATOM 0 H MET A 35 -17.498 -13.682 -8.148 1.00 0.36 H new ATOM 0 HA MET A 35 -14.987 -13.260 -9.611 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.763 -11.371 -10.829 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.732 -12.762 -11.276 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.577 -11.994 -9.839 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.605 -10.660 -9.249 1.00 0.43 H new ATOM 0 HE1 MET A 35 -20.389 -9.021 -11.613 1.00 1.25 H new ATOM 0 HE2 MET A 35 -20.631 -10.606 -10.839 1.00 1.25 H new ATOM 0 HE3 MET A 35 -19.868 -9.279 -9.931 1.00 1.25 H new ATOM 579 N GLY A 36 -14.463 -11.504 -7.894 1.00 0.27 N ATOM 580 CA GLY A 36 -14.082 -10.661 -6.763 1.00 0.29 C ATOM 581 C GLY A 36 -13.667 -9.271 -7.229 1.00 0.25 C ATOM 582 O GLY A 36 -13.043 -9.117 -8.282 1.00 0.28 O ATOM 0 H GLY A 36 -13.698 -11.710 -8.537 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.918 -10.580 -6.068 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.260 -11.126 -6.220 1.00 0.29 H new ATOM 586 N PHE A 37 -14.010 -8.267 -6.425 1.00 0.24 N ATOM 587 CA PHE A 37 -13.681 -6.868 -6.713 1.00 0.25 C ATOM 588 C PHE A 37 -12.658 -6.366 -5.696 1.00 0.25 C ATOM 589 O PHE A 37 -12.843 -6.529 -4.488 1.00 0.40 O ATOM 590 CB PHE A 37 -14.939 -6.003 -6.657 1.00 0.30 C ATOM 591 CG PHE A 37 -15.982 -6.419 -7.672 1.00 0.28 C ATOM 592 CD1 PHE A 37 -15.815 -6.109 -9.014 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.110 -7.113 -7.263 1.00 0.43 C ATOM 594 CE1 PHE A 37 -16.768 -6.497 -9.941 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.064 -7.498 -8.191 1.00 0.45 C ATOM 596 CZ PHE A 37 -17.895 -7.169 -9.534 1.00 0.33 C ATOM 0 H PHE A 37 -14.524 -8.398 -5.554 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.259 -6.802 -7.716 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.369 -6.059 -5.657 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -14.666 -4.962 -6.829 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -14.940 -5.564 -9.336 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.245 -7.354 -6.219 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -16.625 -6.271 -10.987 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -18.936 -8.051 -7.874 1.00 0.45 H new ATOM 0 HZ PHE A 37 -18.650 -7.442 -10.256 1.00 0.33 H new ATOM 606 N TYR A 38 -11.581 -5.769 -6.192 1.00 0.20 N ATOM 607 CA TYR A 38 -10.501 -5.252 -5.339 1.00 0.21 C ATOM 608 C TYR A 38 -10.001 -3.894 -5.847 1.00 0.21 C ATOM 609 O TYR A 38 -10.446 -3.397 -6.884 1.00 0.23 O ATOM 610 CB TYR A 38 -9.342 -6.257 -5.302 1.00 0.23 C ATOM 611 CG TYR A 38 -9.771 -7.658 -4.927 1.00 0.27 C ATOM 612 CD1 TYR A 38 -10.157 -8.549 -5.913 1.00 0.27 C ATOM 613 CD2 TYR A 38 -9.783 -8.056 -3.599 1.00 0.42 C ATOM 614 CE1 TYR A 38 -10.550 -9.831 -5.578 1.00 0.35 C ATOM 615 CE2 TYR A 38 -10.178 -9.339 -3.265 1.00 0.50 C ATOM 616 CZ TYR A 38 -10.552 -10.216 -4.231 1.00 0.44 C ATOM 617 OH TYR A 38 -10.953 -11.496 -3.921 1.00 0.55 O ATOM 0 H TYR A 38 -11.426 -5.627 -7.190 1.00 0.20 H new ATOM 0 HA TYR A 38 -10.894 -5.114 -4.332 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -8.862 -6.282 -6.280 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.594 -5.911 -4.588 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -10.151 -8.241 -6.948 1.00 0.27 H new ATOM 0 HD2 TYR A 38 -9.484 -7.364 -2.825 1.00 0.42 H new ATOM 0 HE1 TYR A 38 -10.852 -10.528 -6.346 1.00 0.35 H new ATOM 0 HE2 TYR A 38 -10.189 -9.645 -2.229 1.00 0.50 H new ATOM 0 HH TYR A 38 -10.905 -11.628 -2.951 1.00 0.55 H new ATOM 627 N LYS A 39 -9.073 -3.295 -5.100 1.00 0.25 N ATOM 628 CA LYS A 39 -8.496 -1.989 -5.447 1.00 0.29 C ATOM 629 C LYS A 39 -7.633 -2.091 -6.717 1.00 0.28 C ATOM 630 O LYS A 39 -7.806 -1.306 -7.654 1.00 0.33 O ATOM 631 CB LYS A 39 -7.662 -1.471 -4.265 1.00 0.36 C ATOM 632 CG LYS A 39 -7.120 -0.052 -4.506 1.00 0.70 C ATOM 633 CD LYS A 39 -5.596 0.005 -4.358 1.00 1.15 C ATOM 634 CE LYS A 39 -4.974 0.986 -5.355 1.00 1.82 C ATOM 635 NZ LYS A 39 -3.482 0.930 -5.328 1.00 2.51 N ATOM 0 H LYS A 39 -8.699 -3.697 -4.240 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.304 -1.287 -5.652 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.274 -1.475 -3.363 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -6.828 -2.150 -4.087 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -7.401 0.280 -5.505 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -7.580 0.638 -3.799 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -5.339 0.304 -3.342 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -5.176 -0.989 -4.513 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -5.329 0.757 -6.360 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -5.304 1.999 -5.123 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -3.095 1.853 -5.610 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -3.161 0.699 -4.366 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -3.150 0.199 -5.989 1.00 2.51 H new ATOM 649 N ASP A 40 -6.715 -3.063 -6.738 1.00 0.28 N ATOM 650 CA ASP A 40 -5.816 -3.293 -7.885 1.00 0.32 C ATOM 651 C ASP A 40 -5.301 -4.740 -7.877 1.00 0.33 C ATOM 652 O ASP A 40 -5.760 -5.565 -7.078 1.00 0.32 O ATOM 653 CB ASP A 40 -4.647 -2.276 -7.885 1.00 0.38 C ATOM 654 CG ASP A 40 -3.754 -2.358 -6.636 1.00 0.57 C ATOM 655 OD1 ASP A 40 -3.860 -3.329 -5.858 1.00 0.84 O ATOM 656 OD2 ASP A 40 -2.935 -1.433 -6.435 1.00 0.94 O ATOM 0 H ASP A 40 -6.571 -3.713 -5.965 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.381 -3.140 -8.805 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.033 -2.442 -8.771 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.054 -1.268 -7.964 1.00 0.38 H new ATOM 661 N ALA A 41 -4.351 -5.046 -8.770 1.00 0.40 N ATOM 662 CA ALA A 41 -3.765 -6.396 -8.879 1.00 0.45 C ATOM 663 C ALA A 41 -3.137 -6.847 -7.551 1.00 0.45 C ATOM 664 O ALA A 41 -3.297 -7.998 -7.141 1.00 0.47 O ATOM 665 CB ALA A 41 -2.707 -6.413 -9.987 1.00 0.55 C ATOM 0 H ALA A 41 -3.967 -4.374 -9.434 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.567 -7.093 -9.124 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.277 -7.412 -10.064 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.170 -6.143 -10.936 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -1.920 -5.696 -9.750 1.00 0.55 H new ATOM 671 N LYS A 42 -2.441 -5.927 -6.871 1.00 0.46 N ATOM 672 CA LYS A 42 -1.806 -6.222 -5.576 1.00 0.48 C ATOM 673 C LYS A 42 -2.874 -6.517 -4.517 1.00 0.43 C ATOM 674 O LYS A 42 -2.763 -7.483 -3.758 1.00 0.47 O ATOM 675 CB LYS A 42 -0.932 -5.040 -5.127 1.00 0.54 C ATOM 676 CG LYS A 42 0.452 -5.079 -5.778 1.00 0.77 C ATOM 677 CD LYS A 42 1.352 -3.962 -5.237 1.00 1.12 C ATOM 678 CE LYS A 42 1.888 -4.299 -3.839 1.00 1.96 C ATOM 679 NZ LYS A 42 1.901 -3.102 -2.949 1.00 2.76 N ATOM 0 H LYS A 42 -2.302 -4.970 -7.195 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.173 -7.101 -5.693 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -1.428 -4.103 -5.382 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.824 -5.058 -4.042 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.917 -6.047 -5.591 1.00 0.77 H new ATOM 0 HG3 LYS A 42 0.351 -4.977 -6.859 1.00 0.77 H new ATOM 0 HD2 LYS A 42 2.187 -3.803 -5.919 1.00 1.12 H new ATOM 0 HD3 LYS A 42 0.791 -3.028 -5.197 1.00 1.12 H new ATOM 0 HE2 LYS A 42 1.272 -5.079 -3.391 1.00 1.96 H new ATOM 0 HE3 LYS A 42 2.898 -4.700 -3.924 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 2.269 -3.369 -2.014 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 2.509 -2.367 -3.364 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 0.934 -2.734 -2.848 1.00 2.76 H new ATOM 693 N SER A 43 -3.917 -5.683 -4.490 1.00 0.38 N ATOM 694 CA SER A 43 -5.033 -5.832 -3.548 1.00 0.38 C ATOM 695 C SER A 43 -5.785 -7.151 -3.796 1.00 0.39 C ATOM 696 O SER A 43 -6.248 -7.800 -2.853 1.00 0.45 O ATOM 697 CB SER A 43 -5.981 -4.631 -3.686 1.00 0.37 C ATOM 698 OG SER A 43 -6.474 -4.227 -2.419 1.00 1.04 O ATOM 0 H SER A 43 -4.013 -4.886 -5.119 1.00 0.38 H new ATOM 0 HA SER A 43 -4.640 -5.861 -2.532 1.00 0.38 H new ATOM 0 HB2 SER A 43 -5.456 -3.801 -4.158 1.00 0.37 H new ATOM 0 HB3 SER A 43 -6.814 -4.893 -4.338 1.00 0.37 H new ATOM 0 HG SER A 43 -7.290 -3.697 -2.539 1.00 1.04 H new ATOM 704 N ALA A 44 -5.882 -7.548 -5.069 1.00 0.37 N ATOM 705 CA ALA A 44 -6.555 -8.794 -5.460 1.00 0.43 C ATOM 706 C ALA A 44 -5.740 -10.005 -5.012 1.00 0.51 C ATOM 707 O ALA A 44 -6.282 -10.955 -4.445 1.00 0.59 O ATOM 708 CB ALA A 44 -6.757 -8.831 -6.977 1.00 0.43 C ATOM 0 H ALA A 44 -5.500 -7.020 -5.853 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.529 -8.829 -4.971 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -7.257 -9.759 -7.255 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.370 -7.983 -7.283 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.789 -8.777 -7.474 1.00 0.43 H new ATOM 714 N ALA A 45 -4.429 -9.955 -5.261 1.00 0.54 N ATOM 715 CA ALA A 45 -3.511 -11.037 -4.884 1.00 0.64 C ATOM 716 C ALA A 45 -3.439 -11.189 -3.358 1.00 0.68 C ATOM 717 O ALA A 45 -3.529 -12.301 -2.838 1.00 0.76 O ATOM 718 CB ALA A 45 -2.116 -10.755 -5.454 1.00 0.69 C ATOM 0 H ALA A 45 -3.974 -9.169 -5.727 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.888 -11.972 -5.299 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -1.438 -11.560 -5.172 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -2.173 -10.693 -6.541 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.744 -9.811 -5.055 1.00 0.69 H new ATOM 724 N SER A 46 -3.286 -10.063 -2.655 1.00 0.65 N ATOM 725 CA SER A 46 -3.209 -10.047 -1.184 1.00 0.73 C ATOM 726 C SER A 46 -4.555 -10.456 -0.562 1.00 0.74 C ATOM 727 O SER A 46 -4.594 -11.188 0.427 1.00 0.84 O ATOM 728 CB SER A 46 -2.797 -8.644 -0.703 1.00 0.75 C ATOM 729 OG SER A 46 -2.177 -8.700 0.578 1.00 1.21 O ATOM 0 H SER A 46 -3.212 -9.140 -3.083 1.00 0.65 H new ATOM 0 HA SER A 46 -2.458 -10.769 -0.863 1.00 0.73 H new ATOM 0 HB2 SER A 46 -2.111 -8.197 -1.423 1.00 0.75 H new ATOM 0 HB3 SER A 46 -3.675 -8.000 -0.657 1.00 0.75 H new ATOM 0 HG SER A 46 -1.924 -7.796 0.859 1.00 1.21 H new ATOM 735 N GLY A 47 -5.652 -9.981 -1.155 1.00 0.70 N ATOM 736 CA GLY A 47 -7.000 -10.295 -0.679 1.00 0.74 C ATOM 737 C GLY A 47 -7.490 -9.262 0.331 1.00 0.75 C ATOM 738 O GLY A 47 -7.868 -9.609 1.450 1.00 0.88 O ATOM 0 H GLY A 47 -5.632 -9.372 -1.973 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -7.686 -10.333 -1.525 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -7.004 -11.284 -0.221 1.00 0.74 H new ATOM 742 N ILE A 48 -7.499 -7.995 -0.075 1.00 0.67 N ATOM 743 CA ILE A 48 -7.965 -6.898 0.781 1.00 0.72 C ATOM 744 C ILE A 48 -9.367 -6.482 0.316 1.00 0.75 C ATOM 745 O ILE A 48 -9.567 -6.176 -0.857 1.00 0.75 O ATOM 746 CB ILE A 48 -6.976 -5.721 0.705 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.634 -6.108 1.343 1.00 0.78 C ATOM 748 CG2 ILE A 48 -7.536 -4.469 1.389 1.00 0.82 C ATOM 749 CD1 ILE A 48 -4.493 -5.233 0.831 1.00 0.97 C ATOM 0 H ILE A 48 -7.187 -7.697 -0.999 1.00 0.67 H new ATOM 0 HA ILE A 48 -8.017 -7.218 1.822 1.00 0.72 H new ATOM 0 HB ILE A 48 -6.821 -5.490 -0.349 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -5.706 -6.015 2.427 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -5.416 -7.154 1.126 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -6.810 -3.659 1.315 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -8.463 -4.171 0.900 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -7.733 -4.685 2.439 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -3.560 -5.537 1.305 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -4.404 -5.346 -0.249 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -4.699 -4.190 1.071 1.00 0.97 H new ATOM 761 N PRO A 49 -10.365 -6.486 1.226 1.00 0.84 N ATOM 762 CA PRO A 49 -11.759 -6.127 0.884 1.00 0.93 C ATOM 763 C PRO A 49 -11.938 -4.641 0.527 1.00 0.93 C ATOM 764 O PRO A 49 -11.483 -3.755 1.254 1.00 1.08 O ATOM 765 CB PRO A 49 -12.553 -6.510 2.134 1.00 1.07 C ATOM 766 CG PRO A 49 -11.563 -6.486 3.250 1.00 1.06 C ATOM 767 CD PRO A 49 -10.230 -6.857 2.646 1.00 0.92 C ATOM 0 HA PRO A 49 -12.096 -6.646 -0.013 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -13.366 -5.807 2.314 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -13.002 -7.497 2.028 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -11.520 -5.499 3.709 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -11.844 -7.190 4.033 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -9.412 -6.318 3.123 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -10.021 -7.921 2.762 1.00 0.92 H new ATOM 775 N TYR A 50 -12.602 -4.393 -0.608 1.00 0.87 N ATOM 776 CA TYR A 50 -12.858 -3.035 -1.106 1.00 0.91 C ATOM 777 C TYR A 50 -14.238 -2.540 -0.639 1.00 1.12 C ATOM 778 O TYR A 50 -14.634 -2.784 0.505 1.00 1.91 O ATOM 779 CB TYR A 50 -12.750 -3.032 -2.642 1.00 0.92 C ATOM 780 CG TYR A 50 -12.335 -1.693 -3.217 1.00 0.94 C ATOM 781 CD1 TYR A 50 -11.151 -1.099 -2.807 1.00 1.02 C ATOM 782 CD2 TYR A 50 -13.131 -1.057 -4.157 1.00 1.13 C ATOM 783 CE1 TYR A 50 -10.766 0.122 -3.333 1.00 1.13 C ATOM 784 CE2 TYR A 50 -12.744 0.165 -4.681 1.00 1.24 C ATOM 785 CZ TYR A 50 -11.562 0.748 -4.265 1.00 1.17 C ATOM 786 OH TYR A 50 -11.180 1.963 -4.786 1.00 1.34 O ATOM 0 H TYR A 50 -12.977 -5.128 -1.208 1.00 0.87 H new ATOM 0 HA TYR A 50 -12.114 -2.349 -0.701 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -12.029 -3.789 -2.949 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -13.712 -3.318 -3.066 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -10.527 -1.591 -2.075 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -14.054 -1.515 -4.481 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -9.843 0.582 -3.013 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -13.364 0.661 -5.413 1.00 1.24 H new ATOM 0 HH TYR A 50 -11.977 2.483 -5.022 1.00 1.34 H new ATOM 796 N HIS A 51 -14.963 -1.839 -1.518 1.00 1.28 N ATOM 797 CA HIS A 51 -16.294 -1.297 -1.193 1.00 1.53 C ATOM 798 C HIS A 51 -17.349 -1.784 -2.195 1.00 1.61 C ATOM 799 O HIS A 51 -17.027 -2.179 -3.322 1.00 2.07 O ATOM 800 CB HIS A 51 -16.246 0.243 -1.194 1.00 2.01 C ATOM 801 CG HIS A 51 -16.185 0.839 0.181 1.00 2.54 C ATOM 802 ND1 HIS A 51 -17.256 0.867 1.039 1.00 3.19 N ATOM 803 CD2 HIS A 51 -15.176 1.436 0.863 1.00 2.89 C ATOM 804 CE1 HIS A 51 -16.935 1.441 2.174 1.00 3.87 C ATOM 805 NE2 HIS A 51 -15.663 1.805 2.102 1.00 3.74 N ATOM 0 H HIS A 51 -14.651 -1.631 -2.466 1.00 1.28 H new ATOM 0 HA HIS A 51 -16.574 -1.653 -0.202 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -15.376 0.571 -1.763 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -17.127 0.626 -1.709 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -14.171 1.595 0.502 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -17.592 1.591 3.018 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -15.134 2.277 2.836 1.00 3.74 H new ATOM 813 N SER A 52 -18.616 -1.736 -1.761 1.00 1.60 N ATOM 814 CA SER A 52 -19.775 -2.148 -2.571 1.00 1.96 C ATOM 815 C SER A 52 -19.700 -3.644 -2.920 1.00 1.85 C ATOM 816 O SER A 52 -19.753 -4.026 -4.092 1.00 2.45 O ATOM 817 CB SER A 52 -19.901 -1.276 -3.838 1.00 2.44 C ATOM 818 OG SER A 52 -19.537 0.077 -3.569 1.00 2.65 O ATOM 0 H SER A 52 -18.869 -1.407 -0.829 1.00 1.60 H new ATOM 0 HA SER A 52 -20.676 -1.995 -1.976 1.00 1.96 H new ATOM 0 HB2 SER A 52 -19.263 -1.678 -4.625 1.00 2.44 H new ATOM 0 HB3 SER A 52 -20.925 -1.313 -4.209 1.00 2.44 H new ATOM 0 HG SER A 52 -19.624 0.608 -4.388 1.00 2.65 H new ATOM 824 N GLU A 53 -19.577 -4.473 -1.870 1.00 1.45 N ATOM 825 CA GLU A 53 -19.489 -5.941 -1.979 1.00 1.37 C ATOM 826 C GLU A 53 -18.215 -6.390 -2.706 1.00 1.08 C ATOM 827 O GLU A 53 -17.986 -6.056 -3.872 1.00 1.24 O ATOM 828 CB GLU A 53 -20.735 -6.533 -2.666 1.00 1.73 C ATOM 829 CG GLU A 53 -21.943 -6.551 -1.717 1.00 2.39 C ATOM 830 CD GLU A 53 -21.683 -7.474 -0.529 1.00 2.88 C ATOM 831 OE1 GLU A 53 -21.728 -8.710 -0.710 1.00 3.46 O ATOM 832 OE2 GLU A 53 -21.456 -6.971 0.590 1.00 3.23 O ATOM 0 H GLU A 53 -19.535 -4.139 -0.907 1.00 1.45 H new ATOM 0 HA GLU A 53 -19.444 -6.325 -0.960 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -20.976 -5.947 -3.553 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -20.520 -7.547 -3.002 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -22.147 -5.541 -1.361 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -22.830 -6.885 -2.256 1.00 2.39 H new ATOM 839 N VAL A 54 -17.396 -7.165 -1.997 1.00 0.84 N ATOM 840 CA VAL A 54 -16.142 -7.693 -2.541 1.00 0.66 C ATOM 841 C VAL A 54 -16.400 -8.979 -3.344 1.00 0.55 C ATOM 842 O VAL A 54 -15.937 -9.095 -4.477 1.00 0.49 O ATOM 843 CB VAL A 54 -15.121 -7.954 -1.407 1.00 0.81 C ATOM 844 CG1 VAL A 54 -13.685 -7.883 -1.942 1.00 0.77 C ATOM 845 CG2 VAL A 54 -15.313 -6.959 -0.254 1.00 1.34 C ATOM 0 H VAL A 54 -17.580 -7.445 -1.034 1.00 0.84 H new ATOM 0 HA VAL A 54 -15.721 -6.947 -3.214 1.00 0.66 H new ATOM 0 HB VAL A 54 -15.297 -8.959 -1.023 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -12.984 -8.069 -1.128 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -13.548 -8.636 -2.718 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -13.501 -6.893 -2.360 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -14.583 -7.164 0.529 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -15.173 -5.943 -0.623 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -16.319 -7.062 0.152 1.00 1.34 H new ATOM 855 N PRO A 55 -17.138 -9.970 -2.776 1.00 0.62 N ATOM 856 CA PRO A 55 -17.432 -11.243 -3.449 1.00 0.59 C ATOM 857 C PRO A 55 -18.815 -11.243 -4.120 1.00 0.58 C ATOM 858 O PRO A 55 -19.804 -10.836 -3.508 1.00 0.83 O ATOM 859 CB PRO A 55 -17.402 -12.241 -2.289 1.00 0.76 C ATOM 860 CG PRO A 55 -17.736 -11.442 -1.051 1.00 0.87 C ATOM 861 CD PRO A 55 -17.739 -9.972 -1.433 1.00 0.83 C ATOM 0 HA PRO A 55 -16.730 -11.464 -4.253 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -18.124 -13.043 -2.444 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -16.421 -12.708 -2.200 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -18.709 -11.736 -0.658 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -17.004 -11.631 -0.266 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -18.749 -9.561 -1.443 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -17.158 -9.373 -0.732 1.00 0.83 H new ATOM 869 N VAL A 56 -18.879 -11.708 -5.367 1.00 0.41 N ATOM 870 CA VAL A 56 -20.139 -11.781 -6.116 1.00 0.43 C ATOM 871 C VAL A 56 -20.147 -13.046 -6.975 1.00 0.42 C ATOM 872 O VAL A 56 -19.157 -13.365 -7.633 1.00 0.43 O ATOM 873 CB VAL A 56 -20.316 -10.530 -6.996 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.568 -10.646 -7.871 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.404 -9.267 -6.134 1.00 0.63 C ATOM 0 H VAL A 56 -18.067 -12.043 -5.886 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.972 -11.820 -5.414 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.442 -10.457 -7.644 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.669 -9.749 -8.482 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.480 -11.518 -8.518 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.447 -10.753 -7.236 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.529 -8.396 -6.777 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -21.257 -9.345 -5.460 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.489 -9.160 -5.551 1.00 0.63 H new ATOM 885 N SER A 57 -21.266 -13.767 -6.955 1.00 0.47 N ATOM 886 CA SER A 57 -21.431 -15.006 -7.713 1.00 0.48 C ATOM 887 C SER A 57 -21.556 -14.732 -9.218 1.00 0.46 C ATOM 888 O SER A 57 -22.137 -13.728 -9.636 1.00 0.59 O ATOM 889 CB SER A 57 -22.682 -15.729 -7.211 1.00 0.61 C ATOM 890 OG SER A 57 -22.953 -15.418 -5.845 1.00 0.91 O ATOM 0 H SER A 57 -22.088 -13.507 -6.410 1.00 0.47 H new ATOM 0 HA SER A 57 -20.548 -15.627 -7.563 1.00 0.48 H new ATOM 0 HB2 SER A 57 -23.537 -15.448 -7.826 1.00 0.61 H new ATOM 0 HB3 SER A 57 -22.550 -16.805 -7.321 1.00 0.61 H new ATOM 0 HG SER A 57 -23.759 -15.894 -5.555 1.00 0.91 H new ATOM 896 N LEU A 58 -21.017 -15.648 -10.022 1.00 0.44 N ATOM 897 CA LEU A 58 -21.060 -15.552 -11.483 1.00 0.49 C ATOM 898 C LEU A 58 -21.527 -16.898 -12.046 1.00 0.60 C ATOM 899 O LEU A 58 -20.740 -17.679 -12.587 1.00 0.89 O ATOM 900 CB LEU A 58 -19.673 -15.151 -12.028 1.00 0.67 C ATOM 901 CG LEU A 58 -19.796 -14.273 -13.278 1.00 0.70 C ATOM 902 CD1 LEU A 58 -20.388 -12.904 -12.928 1.00 0.60 C ATOM 903 CD2 LEU A 58 -18.435 -14.114 -13.965 1.00 0.86 C ATOM 0 H LEU A 58 -20.537 -16.480 -9.679 1.00 0.44 H new ATOM 0 HA LEU A 58 -21.763 -14.780 -11.795 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.119 -14.614 -11.258 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -19.101 -16.048 -12.266 1.00 0.67 H new ATOM 0 HG LEU A 58 -20.474 -14.768 -13.973 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -20.465 -12.299 -13.832 1.00 0.60 H new ATOM 0 HD12 LEU A 58 -21.379 -13.036 -12.494 1.00 0.60 H new ATOM 0 HD13 LEU A 58 -19.741 -12.401 -12.209 1.00 0.60 H new ATOM 0 HD21 LEU A 58 -18.545 -13.487 -14.850 1.00 0.86 H new ATOM 0 HD22 LEU A 58 -17.732 -13.648 -13.275 1.00 0.86 H new ATOM 0 HD23 LEU A 58 -18.059 -15.094 -14.259 1.00 0.86 H new ATOM 915 N LYS A 59 -22.822 -17.166 -11.885 1.00 0.70 N ATOM 916 CA LYS A 59 -23.446 -18.409 -12.341 1.00 0.90 C ATOM 917 C LYS A 59 -24.609 -18.073 -13.277 1.00 0.87 C ATOM 918 O LYS A 59 -25.631 -17.548 -12.832 1.00 0.95 O ATOM 919 CB LYS A 59 -23.939 -19.200 -11.118 1.00 1.13 C ATOM 920 CG LYS A 59 -24.135 -20.678 -11.438 1.00 1.41 C ATOM 921 CD LYS A 59 -24.327 -21.498 -10.159 1.00 1.78 C ATOM 922 CE LYS A 59 -25.773 -21.987 -10.016 1.00 2.18 C ATOM 923 NZ LYS A 59 -26.062 -23.122 -10.935 1.00 2.83 N ATOM 0 H LYS A 59 -23.472 -16.524 -11.432 1.00 0.70 H new ATOM 0 HA LYS A 59 -22.726 -19.019 -12.886 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -23.220 -19.097 -10.305 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -24.880 -18.777 -10.767 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -25.003 -20.801 -12.086 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -23.271 -21.052 -11.987 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -23.652 -22.354 -10.170 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -24.060 -20.892 -9.293 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -25.953 -22.297 -8.987 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -26.458 -21.165 -10.225 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -27.049 -23.427 -10.811 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -25.914 -22.818 -11.919 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -25.425 -23.915 -10.718 1.00 2.83 H new ATOM 937 N GLU A 60 -24.427 -18.343 -14.575 1.00 0.89 N ATOM 938 CA GLU A 60 -25.435 -18.047 -15.609 1.00 0.93 C ATOM 939 C GLU A 60 -25.680 -16.534 -15.682 1.00 0.71 C ATOM 940 O GLU A 60 -26.803 -16.059 -15.493 1.00 0.82 O ATOM 941 CB GLU A 60 -26.750 -18.796 -15.337 1.00 1.20 C ATOM 942 CG GLU A 60 -26.561 -20.315 -15.407 1.00 1.43 C ATOM 943 CD GLU A 60 -27.875 -21.024 -15.108 1.00 1.80 C ATOM 944 OE1 GLU A 60 -28.897 -20.699 -15.746 1.00 2.04 O ATOM 945 OE2 GLU A 60 -27.896 -21.902 -14.223 1.00 2.33 O ATOM 0 H GLU A 60 -23.578 -18.773 -14.942 1.00 0.89 H new ATOM 0 HA GLU A 60 -25.052 -18.392 -16.570 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -27.129 -18.521 -14.352 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -27.501 -18.489 -16.065 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -26.204 -20.599 -16.397 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -25.800 -20.627 -14.692 1.00 1.43 H new ATOM 952 N ALA A 61 -24.606 -15.787 -15.937 1.00 0.51 N ATOM 953 CA ALA A 61 -24.669 -14.326 -16.015 1.00 0.35 C ATOM 954 C ALA A 61 -25.062 -13.867 -17.418 1.00 0.35 C ATOM 955 O ALA A 61 -24.427 -14.242 -18.407 1.00 0.43 O ATOM 956 CB ALA A 61 -23.309 -13.730 -15.647 1.00 0.31 C ATOM 0 H ALA A 61 -23.675 -16.172 -16.094 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.428 -13.980 -15.313 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.360 -12.643 -15.706 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.045 -14.026 -14.632 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.552 -14.096 -16.340 1.00 0.31 H new ATOM 962 N ILE A 62 -26.090 -13.026 -17.491 1.00 0.34 N ATOM 963 CA ILE A 62 -26.560 -12.471 -18.760 1.00 0.37 C ATOM 964 C ILE A 62 -25.790 -11.177 -19.025 1.00 0.31 C ATOM 965 O ILE A 62 -25.541 -10.399 -18.098 1.00 0.31 O ATOM 966 CB ILE A 62 -28.073 -12.192 -18.712 1.00 0.46 C ATOM 967 CG1 ILE A 62 -28.829 -13.306 -17.969 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.634 -12.028 -20.128 1.00 0.57 C ATOM 969 CD1 ILE A 62 -28.620 -14.668 -18.627 1.00 1.27 C ATOM 0 H ILE A 62 -26.619 -12.711 -16.678 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.385 -13.188 -19.562 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.219 -11.262 -18.162 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -28.491 -13.347 -16.934 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -29.893 -13.072 -17.948 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.705 -11.831 -20.075 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -28.136 -11.194 -20.622 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.461 -12.942 -20.696 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -29.170 -15.428 -18.073 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -28.982 -14.635 -19.655 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -27.558 -14.914 -18.624 1.00 1.27 H new ATOM 981 N CYS A 63 -25.396 -10.956 -20.271 1.00 0.34 N ATOM 982 CA CYS A 63 -24.626 -9.769 -20.633 1.00 0.33 C ATOM 983 C CYS A 63 -25.133 -9.159 -21.942 1.00 0.34 C ATOM 984 O CYS A 63 -25.330 -9.863 -22.938 1.00 0.52 O ATOM 985 CB CYS A 63 -23.144 -10.143 -20.737 1.00 0.37 C ATOM 986 SG CYS A 63 -22.053 -8.714 -20.651 1.00 0.53 S ATOM 0 H CYS A 63 -25.596 -11.582 -21.051 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.751 -9.013 -19.858 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.892 -10.835 -19.933 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -22.972 -10.669 -21.676 1.00 0.37 H new ATOM 0 HG CYS A 63 -20.817 -9.106 -20.743 1.00 0.53 H new ATOM 992 N GLU A 64 -25.334 -7.840 -21.921 1.00 0.26 N ATOM 993 CA GLU A 64 -25.809 -7.074 -23.078 1.00 0.29 C ATOM 994 C GLU A 64 -24.790 -5.980 -23.404 1.00 0.24 C ATOM 995 O GLU A 64 -24.123 -5.462 -22.509 1.00 0.36 O ATOM 996 CB GLU A 64 -27.187 -6.465 -22.776 1.00 0.33 C ATOM 997 CG GLU A 64 -28.053 -7.423 -21.945 1.00 0.81 C ATOM 998 CD GLU A 64 -29.497 -6.944 -21.887 1.00 1.41 C ATOM 999 OE1 GLU A 64 -29.746 -5.758 -22.176 1.00 1.83 O ATOM 1000 OE2 GLU A 64 -30.387 -7.749 -21.557 1.00 1.96 O ATOM 0 H GLU A 64 -25.170 -7.267 -21.093 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.913 -7.732 -23.941 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -27.061 -5.526 -22.237 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.696 -6.231 -23.711 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -28.015 -8.422 -22.379 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -27.651 -7.499 -20.935 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.661 -5.639 -24.681 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.700 -4.617 -25.125 1.00 0.32 C ATOM 1009 C VAL A 65 -24.362 -3.237 -25.209 1.00 0.31 C ATOM 1010 O VAL A 65 -25.490 -3.103 -25.695 1.00 0.43 O ATOM 1011 CB VAL A 65 -23.120 -5.003 -26.499 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -21.848 -4.203 -26.806 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.827 -6.501 -26.564 1.00 0.39 C ATOM 0 H VAL A 65 -25.209 -6.053 -25.435 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.895 -4.566 -24.392 1.00 0.32 H new ATOM 0 HB VAL A 65 -23.869 -4.761 -27.253 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.460 -4.496 -27.782 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.081 -3.138 -26.813 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.098 -4.405 -26.042 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.418 -6.750 -27.543 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -22.104 -6.764 -25.792 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.749 -7.059 -26.403 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.638 -2.218 -24.746 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.096 -0.828 -24.764 1.00 0.31 C ATOM 1025 C ALA A 66 -22.967 0.051 -25.307 1.00 0.34 C ATOM 1026 O ALA A 66 -22.186 0.628 -24.544 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.499 -0.387 -23.348 1.00 0.36 C ATOM 0 H ALA A 66 -22.708 -2.335 -24.344 1.00 0.25 H new ATOM 0 HA ALA A 66 -24.971 -0.730 -25.406 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.838 0.649 -23.372 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.305 -1.024 -22.984 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.640 -0.472 -22.682 1.00 0.36 H new ATOM 1033 N LEU A 67 -22.877 0.139 -26.636 1.00 0.55 N ATOM 1034 CA LEU A 67 -21.837 0.935 -27.303 1.00 0.71 C ATOM 1035 C LEU A 67 -21.992 2.413 -26.942 1.00 0.89 C ATOM 1036 O LEU A 67 -21.031 3.063 -26.533 1.00 1.22 O ATOM 1037 CB LEU A 67 -21.908 0.730 -28.829 1.00 0.76 C ATOM 1038 CG LEU A 67 -20.527 0.446 -29.433 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -19.548 1.581 -29.137 1.00 1.39 C ATOM 1040 CD2 LEU A 67 -19.968 -0.885 -28.928 1.00 1.38 C ATOM 0 H LEU A 67 -23.515 -0.333 -27.277 1.00 0.55 H new ATOM 0 HA LEU A 67 -20.858 0.601 -26.959 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -22.580 -0.099 -29.053 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -22.332 1.619 -29.295 1.00 0.76 H new ATOM 0 HG LEU A 67 -20.652 0.378 -30.514 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -18.579 1.350 -29.578 1.00 1.39 H new ATOM 0 HD12 LEU A 67 -19.928 2.510 -29.563 1.00 1.39 H new ATOM 0 HD13 LEU A 67 -19.438 1.695 -28.059 1.00 1.39 H new ATOM 0 HD21 LEU A 67 -18.988 -1.060 -29.373 1.00 1.38 H new ATOM 0 HD22 LEU A 67 -19.873 -0.851 -27.843 1.00 1.38 H new ATOM 0 HD23 LEU A 67 -20.644 -1.693 -29.208 1.00 1.38 H new ATOM 1052 N ASP A 68 -23.217 2.926 -27.069 1.00 0.90 N ATOM 1053 CA ASP A 68 -23.521 4.318 -26.731 1.00 1.14 C ATOM 1054 C ASP A 68 -24.580 4.349 -25.631 1.00 0.87 C ATOM 1055 O ASP A 68 -25.754 4.648 -25.878 1.00 1.00 O ATOM 1056 CB ASP A 68 -24.008 5.086 -27.971 1.00 1.59 C ATOM 1057 CG ASP A 68 -24.155 6.584 -27.675 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -23.763 7.034 -26.572 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -24.665 7.316 -28.546 1.00 2.62 O ATOM 0 H ASP A 68 -24.020 2.394 -27.406 1.00 0.90 H new ATOM 0 HA ASP A 68 -22.614 4.805 -26.373 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -23.304 4.942 -28.791 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -24.966 4.682 -28.299 1.00 1.59 H new ATOM 1064 N TYR A 69 -24.149 4.051 -24.408 1.00 0.81 N ATOM 1065 CA TYR A 69 -25.029 4.058 -23.230 1.00 0.69 C ATOM 1066 C TYR A 69 -25.369 5.504 -22.861 1.00 0.97 C ATOM 1067 O TYR A 69 -26.486 5.822 -22.455 1.00 1.47 O ATOM 1068 CB TYR A 69 -24.324 3.311 -22.080 1.00 0.58 C ATOM 1069 CG TYR A 69 -24.839 3.634 -20.694 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.166 3.404 -20.367 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -23.976 4.147 -19.741 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -26.625 3.688 -19.088 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.436 4.432 -18.469 1.00 0.64 C ATOM 1074 CZ TYR A 69 -25.755 4.202 -18.146 1.00 0.76 C ATOM 1075 OH TYR A 69 -26.196 4.482 -16.871 1.00 0.97 O ATOM 0 H TYR A 69 -23.183 3.798 -24.200 1.00 0.81 H new ATOM 0 HA TYR A 69 -25.968 3.545 -23.439 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -24.426 2.239 -22.248 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -23.259 3.540 -22.118 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -26.843 3.004 -21.107 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -22.941 4.325 -19.992 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -27.658 3.508 -18.830 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -23.761 4.835 -17.728 1.00 0.64 H new ATOM 0 HH TYR A 69 -27.062 4.049 -16.722 1.00 0.97 H new ATOM 1173 N HIS A 74 -17.075 2.259 -24.447 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.628 0.905 -24.592 1.00 0.38 C ATOM 1175 C HIS A 74 -18.169 0.423 -23.243 1.00 0.30 C ATOM 1176 O HIS A 74 -17.407 0.275 -22.283 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.528 -0.053 -25.084 1.00 0.64 C ATOM 1178 CG HIS A 74 -15.904 0.346 -26.396 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -14.594 0.740 -26.521 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -16.407 0.404 -27.655 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -14.305 1.017 -27.768 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -15.393 0.825 -28.495 1.00 1.53 N ATOM 0 HA HIS A 74 -18.440 0.922 -25.319 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.747 -0.112 -24.326 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -16.951 -1.053 -25.184 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -17.418 0.164 -27.948 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -13.345 1.345 -28.138 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -15.471 0.964 -29.503 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.480 0.188 -23.170 1.00 0.26 N ATOM 1191 CA VAL A 75 -20.132 -0.266 -21.935 1.00 0.23 C ATOM 1192 C VAL A 75 -20.926 -1.551 -22.190 1.00 0.22 C ATOM 1193 O VAL A 75 -21.363 -1.814 -23.312 1.00 0.26 O ATOM 1194 CB VAL A 75 -21.070 0.847 -21.415 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.884 0.388 -20.202 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.282 2.100 -21.054 1.00 0.31 C ATOM 0 H VAL A 75 -20.118 0.305 -23.957 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.370 -0.479 -21.185 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.762 1.078 -22.225 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.530 1.200 -19.869 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.495 -0.471 -20.478 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -21.207 0.108 -19.395 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.965 2.868 -20.691 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.557 1.862 -20.276 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.759 2.468 -21.937 1.00 0.31 H new ATOM 1206 N PHE A 76 -21.143 -2.331 -21.134 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.926 -3.562 -21.224 1.00 0.23 C ATOM 1208 C PHE A 76 -22.748 -3.738 -19.947 1.00 0.22 C ATOM 1209 O PHE A 76 -22.280 -3.457 -18.837 1.00 0.27 O ATOM 1210 CB PHE A 76 -21.050 -4.792 -21.510 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.931 -5.037 -20.528 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -18.723 -4.382 -20.680 1.00 0.26 C ATOM 1213 CD2 PHE A 76 -20.100 -5.944 -19.495 1.00 0.27 C ATOM 1214 CE1 PHE A 76 -17.683 -4.634 -19.800 1.00 0.28 C ATOM 1215 CE2 PHE A 76 -19.065 -6.192 -18.613 1.00 0.29 C ATOM 1216 CZ PHE A 76 -17.855 -5.538 -18.766 1.00 0.29 C ATOM 0 H PHE A 76 -20.785 -2.131 -20.200 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.604 -3.475 -22.073 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.690 -5.674 -21.532 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.619 -4.686 -22.506 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -18.590 -3.674 -21.485 1.00 0.26 H new ATOM 0 HD2 PHE A 76 -21.042 -6.459 -19.378 1.00 0.27 H new ATOM 0 HE1 PHE A 76 -16.738 -4.125 -19.921 1.00 0.28 H new ATOM 0 HE2 PHE A 76 -19.201 -6.896 -17.805 1.00 0.29 H new ATOM 0 HZ PHE A 76 -17.045 -5.733 -18.079 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.984 -4.188 -20.124 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.919 -4.397 -19.014 1.00 0.28 C ATOM 1228 C LYS A 77 -24.833 -5.844 -18.527 1.00 0.31 C ATOM 1229 O LYS A 77 -25.247 -6.772 -19.225 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.358 -4.033 -19.466 1.00 0.36 C ATOM 1231 CG LYS A 77 -27.471 -4.671 -18.612 1.00 1.20 C ATOM 1232 CD LYS A 77 -27.332 -4.370 -17.112 1.00 1.33 C ATOM 1233 CE LYS A 77 -28.404 -3.384 -16.635 1.00 1.76 C ATOM 1234 NZ LYS A 77 -29.774 -3.979 -16.682 1.00 1.95 N ATOM 0 H LYS A 77 -24.371 -4.420 -21.039 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.652 -3.747 -18.181 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.472 -2.949 -19.439 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.490 -4.342 -20.503 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -28.439 -4.310 -18.960 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -27.461 -5.751 -18.762 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -27.411 -5.297 -16.545 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -26.343 -3.958 -16.913 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -28.180 -3.070 -15.615 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -28.376 -2.489 -17.257 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -30.402 -3.361 -17.235 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -29.730 -4.917 -17.129 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -30.145 -4.073 -15.715 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.303 -6.019 -17.319 1.00 0.23 N ATOM 1249 CA LEU A 78 -24.162 -7.334 -16.700 1.00 0.24 C ATOM 1250 C LEU A 78 -25.358 -7.578 -15.783 1.00 0.29 C ATOM 1251 O LEU A 78 -25.585 -6.821 -14.835 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.847 -7.400 -15.900 1.00 0.30 C ATOM 1253 CG LEU A 78 -21.992 -8.613 -16.284 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -20.875 -8.820 -15.262 1.00 0.86 C ATOM 1255 CD2 LEU A 78 -22.834 -9.884 -16.399 1.00 0.30 C ATOM 0 H LEU A 78 -23.959 -5.252 -16.741 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.133 -8.106 -17.469 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -22.275 -6.487 -16.069 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -23.074 -7.441 -14.835 1.00 0.30 H new ATOM 0 HG LEU A 78 -21.555 -8.410 -17.262 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -20.276 -9.685 -15.548 1.00 0.86 H new ATOM 0 HD12 LEU A 78 -20.241 -7.934 -15.231 1.00 0.86 H new ATOM 0 HD13 LEU A 78 -21.310 -8.989 -14.277 1.00 0.86 H new ATOM 0 HD21 LEU A 78 -22.193 -10.722 -16.673 1.00 0.30 H new ATOM 0 HD22 LEU A 78 -23.313 -10.091 -15.442 1.00 0.30 H new ATOM 0 HD23 LEU A 78 -23.598 -9.747 -17.165 1.00 0.30 H new ATOM 1267 N ARG A 79 -26.120 -8.626 -16.070 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.298 -8.981 -15.279 1.00 0.40 C ATOM 1269 C ARG A 79 -27.148 -10.404 -14.753 1.00 0.45 C ATOM 1270 O ARG A 79 -27.026 -11.349 -15.536 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.561 -8.873 -16.147 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.844 -8.935 -15.311 1.00 1.11 C ATOM 1273 CD ARG A 79 -30.820 -9.991 -15.841 1.00 1.51 C ATOM 1274 NE ARG A 79 -32.183 -9.691 -15.405 1.00 1.91 N ATOM 1275 CZ ARG A 79 -32.640 -10.042 -14.211 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -33.019 -11.295 -13.995 1.00 2.93 N ATOM 1277 NH2 ARG A 79 -32.713 -9.139 -13.241 1.00 2.99 N ATOM 0 H ARG A 79 -25.942 -9.254 -16.854 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.388 -8.294 -14.437 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.538 -7.937 -16.705 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.567 -9.680 -16.879 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.592 -9.161 -14.275 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -30.328 -7.958 -15.315 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -30.778 -10.020 -16.930 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -30.526 -10.978 -15.484 1.00 1.51 H new ATOM 0 HE ARG A 79 -32.805 -9.194 -16.043 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -32.958 -11.983 -14.746 1.00 2.93 H new ATOM 0 HH12 ARG A 79 -33.371 -11.570 -13.078 1.00 2.93 H new ATOM 0 HH21 ARG A 79 -32.418 -8.178 -13.415 1.00 2.99 H new ATOM 0 HH22 ARG A 79 -33.064 -9.406 -12.321 1.00 2.99 H new ATOM 1291 N LEU A 80 -27.172 -10.563 -13.430 1.00 0.54 N ATOM 1292 CA LEU A 80 -27.058 -11.885 -12.811 1.00 0.68 C ATOM 1293 C LEU A 80 -28.345 -12.680 -13.064 1.00 0.84 C ATOM 1294 O LEU A 80 -29.392 -12.101 -13.374 1.00 1.06 O ATOM 1295 CB LEU A 80 -26.792 -11.749 -11.303 1.00 0.82 C ATOM 1296 CG LEU A 80 -25.446 -11.068 -11.013 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -25.062 -11.236 -9.546 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -24.337 -11.608 -11.921 1.00 1.26 C ATOM 0 H LEU A 80 -27.269 -9.795 -12.766 1.00 0.54 H new ATOM 0 HA LEU A 80 -26.218 -12.419 -13.255 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -27.596 -11.173 -10.844 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -26.805 -12.737 -10.842 1.00 0.82 H new ATOM 0 HG LEU A 80 -25.563 -10.005 -11.224 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -24.106 -10.746 -9.362 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -25.828 -10.785 -8.915 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -24.978 -12.297 -9.311 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -23.399 -11.104 -11.689 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -24.223 -12.680 -11.758 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -24.599 -11.425 -12.963 1.00 1.26 H new ATOM 1310 N SER A 81 -28.249 -14.005 -12.954 1.00 1.01 N ATOM 1311 CA SER A 81 -29.382 -14.916 -13.190 1.00 1.23 C ATOM 1312 C SER A 81 -30.633 -14.499 -12.403 1.00 1.40 C ATOM 1313 O SER A 81 -31.745 -14.534 -12.930 1.00 1.92 O ATOM 1314 CB SER A 81 -28.977 -16.360 -12.836 1.00 1.52 C ATOM 1315 OG SER A 81 -27.864 -16.387 -11.944 1.00 2.18 O ATOM 0 H SER A 81 -27.385 -14.483 -12.699 1.00 1.01 H new ATOM 0 HA SER A 81 -29.637 -14.861 -14.248 1.00 1.23 H new ATOM 0 HB2 SER A 81 -29.823 -16.875 -12.380 1.00 1.52 H new ATOM 0 HB3 SER A 81 -28.727 -16.903 -13.748 1.00 1.52 H new ATOM 0 HG SER A 81 -27.113 -16.850 -12.371 1.00 2.18 H new ATOM 1321 N ASP A 82 -30.441 -14.109 -11.147 1.00 1.33 N ATOM 1322 CA ASP A 82 -31.547 -13.689 -10.284 1.00 1.76 C ATOM 1323 C ASP A 82 -30.986 -12.977 -9.046 1.00 1.31 C ATOM 1324 O ASP A 82 -30.983 -13.542 -7.951 1.00 1.74 O ATOM 1325 CB ASP A 82 -32.375 -14.921 -9.866 1.00 2.76 C ATOM 1326 CG ASP A 82 -33.620 -14.517 -9.073 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -34.438 -13.733 -9.600 1.00 3.98 O ATOM 1328 OD2 ASP A 82 -33.779 -14.976 -7.924 1.00 3.77 O ATOM 0 H ASP A 82 -29.525 -14.074 -10.699 1.00 1.33 H new ATOM 0 HA ASP A 82 -32.195 -13.000 -10.826 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -32.673 -15.479 -10.754 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -31.758 -15.587 -9.263 1.00 2.76 H new ATOM 1333 N GLY A 83 -30.500 -11.743 -9.209 1.00 1.09 N ATOM 1334 CA GLY A 83 -29.945 -11.005 -8.078 1.00 1.53 C ATOM 1335 C GLY A 83 -29.627 -9.551 -8.429 1.00 1.31 C ATOM 1336 O GLY A 83 -30.536 -8.709 -8.513 1.00 1.88 O ATOM 0 H GLY A 83 -30.480 -11.244 -10.098 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -30.653 -11.029 -7.250 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -29.036 -11.500 -7.735 1.00 1.53 H new ATOM 1340 N ASN A 84 -28.318 -9.266 -8.565 1.00 0.93 N ATOM 1341 CA ASN A 84 -27.805 -7.911 -8.832 1.00 0.71 C ATOM 1342 C ASN A 84 -27.682 -7.604 -10.335 1.00 0.62 C ATOM 1343 O ASN A 84 -27.677 -8.506 -11.180 1.00 0.65 O ATOM 1344 CB ASN A 84 -26.414 -7.756 -8.179 1.00 0.84 C ATOM 1345 CG ASN A 84 -26.409 -8.204 -6.711 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -26.787 -9.334 -6.393 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -25.960 -7.334 -5.822 1.00 1.32 N ATOM 0 H ASN A 84 -27.585 -9.972 -8.492 1.00 0.93 H new ATOM 0 HA ASN A 84 -28.522 -7.208 -8.409 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -25.685 -8.342 -8.738 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -26.100 -6.714 -8.240 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -25.918 -7.589 -4.835 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -25.656 -6.408 -6.123 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.562 -6.308 -10.644 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.412 -5.804 -12.016 1.00 0.55 C ATOM 1356 C GLU A 85 -26.417 -4.636 -12.015 1.00 0.47 C ATOM 1357 O GLU A 85 -26.526 -3.724 -11.188 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.766 -5.332 -12.548 1.00 0.70 C ATOM 1359 CG GLU A 85 -29.668 -6.514 -12.905 1.00 1.16 C ATOM 1360 CD GLU A 85 -30.893 -6.033 -13.674 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -30.757 -5.128 -14.522 1.00 1.43 O ATOM 1362 OE2 GLU A 85 -32.000 -6.559 -13.428 1.00 1.39 O ATOM 0 H GLU A 85 -27.566 -5.570 -9.940 1.00 0.59 H new ATOM 0 HA GLU A 85 -27.040 -6.601 -12.659 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.257 -4.711 -11.798 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.615 -4.708 -13.429 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -29.113 -7.235 -13.506 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -29.980 -7.029 -11.997 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.440 -4.664 -12.928 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.416 -3.606 -13.004 1.00 0.31 C ATOM 1371 C TYR A 86 -24.090 -3.212 -14.449 1.00 0.29 C ATOM 1372 O TYR A 86 -24.273 -3.998 -15.379 1.00 0.40 O ATOM 1373 CB TYR A 86 -23.105 -4.083 -12.361 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.237 -4.607 -10.950 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -23.643 -5.913 -10.734 1.00 0.53 C ATOM 1376 CD2 TYR A 86 -22.991 -3.775 -9.867 1.00 0.57 C ATOM 1377 CE1 TYR A 86 -23.793 -6.388 -9.444 1.00 0.62 C ATOM 1378 CE2 TYR A 86 -23.150 -4.252 -8.579 1.00 0.67 C ATOM 1379 CZ TYR A 86 -23.408 -5.575 -8.367 1.00 0.63 C ATOM 1380 OH TYR A 86 -23.708 -6.028 -7.091 1.00 0.77 O ATOM 0 H TYR A 86 -25.333 -5.402 -13.623 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.830 -2.746 -12.477 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.677 -4.868 -12.985 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.397 -3.255 -12.360 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -23.843 -6.562 -11.574 1.00 0.53 H new ATOM 0 HD2 TYR A 86 -22.675 -2.755 -10.030 1.00 0.57 H new ATOM 0 HE1 TYR A 86 -24.201 -7.372 -9.268 1.00 0.62 H new ATOM 0 HE2 TYR A 86 -23.070 -3.577 -7.740 1.00 0.67 H new ATOM 0 HH TYR A 86 -23.390 -5.378 -6.430 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.522 -2.012 -14.595 1.00 0.24 N ATOM 1391 CA LEU A 87 -23.052 -1.491 -15.883 1.00 0.23 C ATOM 1392 C LEU A 87 -21.532 -1.395 -15.793 1.00 0.22 C ATOM 1393 O LEU A 87 -21.009 -0.752 -14.875 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.623 -0.098 -16.197 1.00 0.26 C ATOM 1395 CG LEU A 87 -25.147 -0.047 -16.143 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.633 1.324 -16.596 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.766 -1.137 -17.013 1.00 0.38 C ATOM 0 H LEU A 87 -23.374 -1.369 -13.817 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.383 -2.158 -16.679 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -23.216 0.623 -15.487 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -23.291 0.209 -17.189 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.460 -0.220 -15.113 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.722 1.356 -16.556 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -25.223 2.091 -15.939 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -25.302 1.508 -17.618 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.853 -1.076 -16.955 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.450 -1.000 -18.047 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.438 -2.115 -16.660 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.827 -2.042 -16.714 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.361 -2.038 -16.712 1.00 0.19 C ATOM 1411 C PHE A 88 -18.833 -1.287 -17.934 1.00 0.20 C ATOM 1412 O PHE A 88 -19.243 -1.563 -19.060 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.833 -3.473 -16.705 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.881 -4.119 -15.333 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.885 -3.856 -14.401 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.919 -4.978 -15.003 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -17.930 -4.449 -13.147 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -19.963 -5.568 -13.749 1.00 0.25 C ATOM 1419 CZ PHE A 88 -18.969 -5.305 -12.821 1.00 0.22 C ATOM 0 H PHE A 88 -21.244 -2.578 -17.475 1.00 0.18 H new ATOM 0 HA PHE A 88 -19.012 -1.530 -15.813 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.418 -4.072 -17.403 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.805 -3.477 -17.066 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.074 -3.189 -14.653 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.695 -5.188 -15.725 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.154 -4.243 -12.425 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.774 -6.234 -13.495 1.00 0.25 H new ATOM 0 HZ PHE A 88 -19.004 -5.766 -11.845 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.916 -0.345 -17.703 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.314 0.452 -18.784 1.00 0.26 C ATOM 1431 C GLN A 89 -15.860 0.038 -18.998 1.00 0.22 C ATOM 1432 O GLN A 89 -15.103 -0.118 -18.031 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.368 1.948 -18.445 1.00 0.32 C ATOM 1434 CG GLN A 89 -17.187 2.824 -19.700 1.00 0.52 C ATOM 1435 CD GLN A 89 -16.164 3.944 -19.485 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -15.542 4.058 -18.427 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -15.989 4.775 -20.500 1.00 1.63 N ATOM 0 H GLN A 89 -17.570 -0.112 -16.772 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.883 0.271 -19.696 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.323 2.180 -17.974 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -16.589 2.185 -17.720 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -16.868 2.199 -20.534 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -18.147 3.260 -19.978 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -16.522 4.649 -21.360 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -15.321 5.542 -20.422 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.476 -0.111 -20.265 1.00 0.22 N ATOM 1447 CA ALA A 90 -14.108 -0.480 -20.647 1.00 0.24 C ATOM 1448 C ALA A 90 -13.422 0.695 -21.347 1.00 0.27 C ATOM 1449 O ALA A 90 -14.077 1.664 -21.750 1.00 0.32 O ATOM 1450 CB ALA A 90 -14.135 -1.694 -21.579 1.00 0.29 C ATOM 0 H ALA A 90 -16.103 0.020 -21.059 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.548 -0.733 -19.747 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -13.116 -1.961 -21.858 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.604 -2.535 -21.068 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.705 -1.451 -22.476 1.00 0.29 H new ATOM 1456 N LYS A 91 -12.104 0.600 -21.500 1.00 0.35 N ATOM 1457 CA LYS A 91 -11.311 1.646 -22.162 1.00 0.44 C ATOM 1458 C LYS A 91 -11.085 1.288 -23.630 1.00 0.49 C ATOM 1459 O LYS A 91 -11.227 2.134 -24.515 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.952 1.805 -21.464 1.00 0.65 C ATOM 1461 CG LYS A 91 -10.081 2.476 -20.093 1.00 1.26 C ATOM 1462 CD LYS A 91 -10.051 1.459 -18.948 1.00 1.43 C ATOM 1463 CE LYS A 91 -8.668 0.816 -18.770 1.00 1.86 C ATOM 1464 NZ LYS A 91 -7.582 1.830 -18.662 1.00 2.29 N ATOM 0 H LYS A 91 -11.554 -0.195 -21.174 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.861 2.585 -22.099 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.490 0.825 -21.345 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -9.288 2.396 -22.095 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.269 3.192 -19.963 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -11.013 3.040 -20.052 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -10.341 1.952 -18.020 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -10.789 0.680 -19.139 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -8.672 0.194 -17.875 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -8.465 0.158 -19.615 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -6.731 1.386 -18.263 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -7.365 2.208 -19.606 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -7.891 2.605 -18.042 1.00 2.29 H new ATOM 1478 N ASP A 92 -10.723 0.030 -23.873 1.00 0.49 N ATOM 1479 CA ASP A 92 -10.449 -0.466 -25.227 1.00 0.66 C ATOM 1480 C ASP A 92 -11.544 -1.435 -25.688 1.00 0.59 C ATOM 1481 O ASP A 92 -12.186 -2.106 -24.875 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.073 -1.159 -25.246 1.00 0.84 C ATOM 1483 CG ASP A 92 -8.618 -1.450 -26.674 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -8.028 -0.560 -27.316 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -8.851 -2.571 -27.160 1.00 2.01 O ATOM 0 H ASP A 92 -10.611 -0.674 -23.143 1.00 0.49 H new ATOM 0 HA ASP A 92 -10.440 0.377 -25.918 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -8.338 -0.526 -24.750 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.125 -2.090 -24.682 1.00 0.84 H new ATOM 1490 N ASP A 93 -11.730 -1.504 -27.007 1.00 0.62 N ATOM 1491 CA ASP A 93 -12.726 -2.389 -27.639 1.00 0.63 C ATOM 1492 C ASP A 93 -12.398 -3.864 -27.353 1.00 0.49 C ATOM 1493 O ASP A 93 -13.290 -4.665 -27.064 1.00 0.54 O ATOM 1494 CB ASP A 93 -12.756 -2.130 -29.158 1.00 0.83 C ATOM 1495 CG ASP A 93 -13.903 -2.883 -29.829 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -13.743 -4.084 -30.131 1.00 2.13 O ATOM 1497 OD2 ASP A 93 -14.968 -2.275 -30.069 1.00 2.21 O ATOM 0 H ASP A 93 -11.195 -0.948 -27.675 1.00 0.62 H new ATOM 0 HA ASP A 93 -13.709 -2.173 -27.220 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -12.862 -1.061 -29.344 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -11.809 -2.438 -29.600 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.104 -4.206 -27.418 1.00 0.41 N ATOM 1503 CA GLU A 94 -10.629 -5.573 -27.153 1.00 0.41 C ATOM 1504 C GLU A 94 -10.881 -5.954 -25.688 1.00 0.36 C ATOM 1505 O GLU A 94 -11.204 -7.103 -25.376 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.128 -5.680 -27.463 1.00 0.49 C ATOM 1507 CG GLU A 94 -8.807 -5.253 -28.903 1.00 1.21 C ATOM 1508 CD GLU A 94 -9.391 -6.244 -29.898 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -9.038 -7.439 -29.831 1.00 2.59 O ATOM 1510 OE2 GLU A 94 -10.202 -5.837 -30.751 1.00 2.43 O ATOM 0 H GLU A 94 -10.361 -3.549 -27.654 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.179 -6.260 -27.796 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -8.568 -5.056 -26.766 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -8.798 -6.707 -27.307 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -9.211 -4.259 -29.092 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -7.727 -5.189 -29.037 1.00 1.21 H new ATOM 1517 N GLU A 95 -10.751 -4.964 -24.800 1.00 0.31 N ATOM 1518 CA GLU A 95 -10.978 -5.146 -23.363 1.00 0.29 C ATOM 1519 C GLU A 95 -12.436 -5.541 -23.109 1.00 0.24 C ATOM 1520 O GLU A 95 -12.715 -6.529 -22.430 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.634 -3.846 -22.624 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.471 -4.075 -21.124 1.00 0.42 C ATOM 1523 CD GLU A 95 -10.051 -2.779 -20.442 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -10.742 -1.755 -20.623 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -9.024 -2.782 -19.731 1.00 1.30 O ATOM 0 H GLU A 95 -10.485 -4.013 -25.057 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.337 -5.945 -22.991 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.713 -3.429 -23.031 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.420 -3.111 -22.796 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -11.409 -4.432 -20.698 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.724 -4.849 -20.945 1.00 0.42 H new ATOM 1532 N MET A 96 -13.360 -4.770 -23.695 1.00 0.24 N ATOM 1533 CA MET A 96 -14.805 -5.025 -23.571 1.00 0.22 C ATOM 1534 C MET A 96 -15.165 -6.421 -24.105 1.00 0.22 C ATOM 1535 O MET A 96 -15.942 -7.149 -23.487 1.00 0.23 O ATOM 1536 CB MET A 96 -15.588 -3.952 -24.346 1.00 0.26 C ATOM 1537 CG MET A 96 -17.077 -3.955 -23.979 1.00 0.39 C ATOM 1538 SD MET A 96 -18.135 -3.368 -25.318 1.00 0.94 S ATOM 1539 CE MET A 96 -18.043 -4.734 -26.489 1.00 0.77 C ATOM 0 H MET A 96 -13.132 -3.956 -24.266 1.00 0.24 H new ATOM 0 HA MET A 96 -15.074 -4.983 -22.515 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.164 -2.970 -24.136 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.477 -4.124 -25.417 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.376 -4.967 -23.704 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.230 -3.328 -23.101 1.00 0.39 H new ATOM 0 HE1 MET A 96 -17.805 -4.348 -27.480 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.266 -5.431 -26.174 1.00 0.77 H new ATOM 0 HE3 MET A 96 -19.002 -5.250 -26.522 1.00 0.77 H new ATOM 1549 N ASN A 97 -14.585 -6.780 -25.251 1.00 0.25 N ATOM 1550 CA ASN A 97 -14.826 -8.083 -25.890 1.00 0.28 C ATOM 1551 C ASN A 97 -14.375 -9.239 -24.985 1.00 0.26 C ATOM 1552 O ASN A 97 -15.095 -10.223 -24.821 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.082 -8.139 -27.233 1.00 0.35 C ATOM 1554 CG ASN A 97 -14.515 -9.355 -28.062 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -13.791 -10.349 -28.151 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -15.691 -9.279 -28.664 1.00 1.24 N ATOM 0 H ASN A 97 -13.937 -6.182 -25.764 1.00 0.25 H new ATOM 0 HA ASN A 97 -15.897 -8.193 -26.060 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -14.275 -7.226 -27.796 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.008 -8.183 -27.054 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -16.028 -10.061 -29.226 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -16.261 -8.439 -28.566 1.00 1.24 H new ATOM 1563 N THR A 98 -13.182 -9.112 -24.394 1.00 0.25 N ATOM 1564 CA THR A 98 -12.632 -10.150 -23.507 1.00 0.27 C ATOM 1565 C THR A 98 -13.514 -10.347 -22.262 1.00 0.23 C ATOM 1566 O THR A 98 -13.760 -11.481 -21.845 1.00 0.27 O ATOM 1567 CB THR A 98 -11.195 -9.785 -23.094 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.445 -9.355 -24.230 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.488 -10.977 -22.443 1.00 0.39 C ATOM 0 H THR A 98 -12.576 -8.300 -24.512 1.00 0.25 H new ATOM 0 HA THR A 98 -12.617 -11.091 -24.056 1.00 0.27 H new ATOM 0 HB THR A 98 -11.256 -8.974 -22.368 1.00 0.31 H new ATOM 0 HG1 THR A 98 -10.540 -8.386 -24.337 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.475 -10.690 -22.162 1.00 0.39 H new ATOM 0 HG22 THR A 98 -11.038 -11.285 -21.554 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.447 -11.806 -23.150 1.00 0.39 H new ATOM 1577 N TRP A 99 -13.987 -9.244 -21.675 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.837 -9.301 -20.478 1.00 0.20 C ATOM 1579 C TRP A 99 -16.189 -9.957 -20.792 1.00 0.21 C ATOM 1580 O TRP A 99 -16.588 -10.914 -20.129 1.00 0.24 O ATOM 1581 CB TRP A 99 -15.058 -7.888 -19.915 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.899 -7.387 -19.095 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.104 -6.306 -19.367 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.406 -7.949 -17.857 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.167 -6.191 -18.379 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.321 -7.167 -17.448 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.777 -9.036 -17.060 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.614 -7.436 -16.288 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -13.071 -9.312 -15.896 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.999 -8.517 -15.514 1.00 0.29 C ATOM 0 H TRP A 99 -13.797 -8.299 -22.008 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.327 -9.909 -19.731 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.235 -7.199 -20.741 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.958 -7.886 -19.300 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.201 -5.652 -20.221 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.448 -5.468 -18.345 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.610 -9.659 -17.349 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.780 -6.816 -15.994 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.359 -10.153 -15.282 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.461 -8.744 -14.605 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.889 -9.434 -21.807 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.206 -9.958 -22.215 1.00 0.24 C ATOM 1603 C ILE A 100 -18.129 -11.453 -22.565 1.00 0.28 C ATOM 1604 O ILE A 100 -18.988 -12.236 -22.162 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.747 -9.154 -23.414 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.100 -7.727 -22.984 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -19.978 -9.835 -24.026 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.511 -6.874 -24.182 1.00 0.29 C ATOM 0 H ILE A 100 -16.566 -8.644 -22.366 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.890 -9.848 -21.373 1.00 0.24 H new ATOM 0 HB ILE A 100 -17.964 -9.115 -24.171 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -19.912 -7.754 -22.258 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.243 -7.272 -22.487 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.338 -9.246 -24.869 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.708 -10.834 -24.370 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.764 -9.910 -23.274 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -19.756 -5.867 -23.845 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -18.688 -6.828 -24.895 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.383 -7.318 -24.662 1.00 0.29 H new ATOM 1620 N GLN A 101 -17.091 -11.842 -23.313 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.897 -13.241 -23.719 1.00 0.35 C ATOM 1622 C GLN A 101 -16.678 -14.150 -22.503 1.00 0.36 C ATOM 1623 O GLN A 101 -17.312 -15.196 -22.386 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.703 -13.352 -24.671 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.011 -12.709 -26.029 1.00 0.48 C ATOM 1626 CD GLN A 101 -16.455 -13.763 -27.038 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -17.651 -14.013 -27.206 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -15.497 -14.380 -27.709 1.00 1.76 N ATOM 0 H GLN A 101 -16.369 -11.206 -23.651 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.802 -13.569 -24.231 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -14.834 -12.868 -24.226 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.445 -14.401 -24.813 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -16.793 -11.958 -25.912 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -15.126 -12.192 -26.401 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -14.520 -14.142 -27.538 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -15.735 -15.094 -28.397 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.785 -13.739 -21.595 1.00 0.32 N ATOM 1638 CA ALA A 102 -15.487 -14.517 -20.384 1.00 0.37 C ATOM 1639 C ALA A 102 -16.726 -14.622 -19.486 1.00 0.38 C ATOM 1640 O ALA A 102 -17.070 -15.708 -19.015 1.00 0.48 O ATOM 1641 CB ALA A 102 -14.333 -13.862 -19.614 1.00 0.38 C ATOM 0 H ALA A 102 -15.255 -12.871 -21.675 1.00 0.32 H new ATOM 0 HA ALA A 102 -15.194 -15.524 -20.683 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -14.117 -14.444 -18.718 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.446 -13.828 -20.247 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.615 -12.848 -19.330 1.00 0.38 H new ATOM 1647 N ILE A 103 -17.393 -13.488 -19.268 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.605 -13.412 -18.436 1.00 0.38 C ATOM 1649 C ILE A 103 -19.736 -14.289 -19.004 1.00 0.47 C ATOM 1650 O ILE A 103 -20.500 -14.890 -18.247 1.00 0.55 O ATOM 1651 CB ILE A 103 -19.055 -11.944 -18.332 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -18.047 -11.135 -17.504 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.450 -11.826 -17.718 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.103 -9.645 -17.849 1.00 0.35 C ATOM 0 H ILE A 103 -17.111 -12.591 -19.663 1.00 0.33 H new ATOM 0 HA ILE A 103 -18.371 -13.794 -17.442 1.00 0.38 H new ATOM 0 HB ILE A 103 -19.097 -11.539 -19.343 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.254 -11.272 -16.443 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -17.041 -11.513 -17.684 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.734 -10.775 -17.660 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -21.167 -12.363 -18.339 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.444 -12.256 -16.716 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.376 -9.104 -17.244 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -17.870 -9.507 -18.905 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.103 -9.262 -17.645 1.00 0.35 H new ATOM 1666 N SER A 104 -19.836 -14.370 -20.333 1.00 0.53 N ATOM 1667 CA SER A 104 -20.868 -15.188 -20.990 1.00 0.66 C ATOM 1668 C SER A 104 -20.653 -16.687 -20.723 1.00 0.72 C ATOM 1669 O SER A 104 -21.602 -17.468 -20.769 1.00 0.89 O ATOM 1670 CB SER A 104 -20.873 -14.917 -22.499 1.00 0.81 C ATOM 1671 OG SER A 104 -21.196 -13.556 -22.765 1.00 1.05 O ATOM 0 H SER A 104 -19.216 -13.880 -20.979 1.00 0.53 H new ATOM 0 HA SER A 104 -21.834 -14.909 -20.570 1.00 0.66 H new ATOM 0 HB2 SER A 104 -19.895 -15.153 -22.919 1.00 0.81 H new ATOM 0 HB3 SER A 104 -21.596 -15.570 -22.988 1.00 0.81 H new ATOM 0 HG SER A 104 -20.371 -13.031 -22.829 1.00 1.05 H new ATOM 1677 N SER A 105 -19.411 -17.083 -20.432 1.00 0.80 N ATOM 1678 CA SER A 105 -19.082 -18.486 -20.145 1.00 1.13 C ATOM 1679 C SER A 105 -19.230 -18.805 -18.645 1.00 1.23 C ATOM 1680 O SER A 105 -18.797 -19.869 -18.189 1.00 1.61 O ATOM 1681 CB SER A 105 -17.650 -18.782 -20.611 1.00 1.48 C ATOM 1682 OG SER A 105 -17.418 -18.244 -21.913 1.00 1.63 O ATOM 0 H SER A 105 -18.612 -16.450 -20.388 1.00 0.80 H new ATOM 0 HA SER A 105 -19.783 -19.120 -20.688 1.00 1.13 H new ATOM 0 HB2 SER A 105 -16.938 -18.356 -19.905 1.00 1.48 H new ATOM 0 HB3 SER A 105 -17.482 -19.859 -20.623 1.00 1.48 H new ATOM 0 HG SER A 105 -17.309 -17.272 -21.851 1.00 1.63 H new ATOM 1688 N ALA A 106 -19.845 -17.889 -17.890 1.00 1.29 N ATOM 1689 CA ALA A 106 -20.060 -18.061 -16.448 1.00 1.59 C ATOM 1690 C ALA A 106 -21.553 -18.206 -16.164 1.00 2.40 C ATOM 1691 O ALA A 106 -21.938 -19.150 -15.442 1.00 3.00 O ATOM 1692 CB ALA A 106 -19.488 -16.856 -15.695 1.00 1.90 C ATOM 1693 OXT ALA A 106 -22.344 -17.389 -16.677 1.00 3.05 O ATOM 0 H ALA A 106 -20.207 -17.010 -18.259 1.00 1.29 H new ATOM 0 HA ALA A 106 -19.550 -18.962 -16.109 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -19.649 -16.986 -14.625 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -18.419 -16.776 -15.894 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -19.988 -15.947 -16.029 1.00 1.90 H new