USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 922 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 87 THR OG1 : rot 69:sc= 0.163 USER MOD Set 1.2: A 90 SER OG : rot 88:sc= -1.8! USER MOD Set 2.1: A 25 TYR OH : rot 123:sc= -3.15! USER MOD Set 2.2: A 48 HIS : no HD1:sc= -4.66! C(o=-7.2!,f=-16!) USER MOD Set 2.3: A 82 THR OG1 : rot 99:sc= 0.608! USER MOD Set 3.1: A 75 SER OG : rot -144:sc= 1.22 USER MOD Set 3.2: A 79 MET CE :methyl 139:sc= -5.21! (180deg=-7.51!) USER MOD Set 4.1: A 73 TYR OH : rot 69:sc= 2.45 USER MOD Set 4.2: A 115 TYR OH : rot -154:sc= 1.05 USER MOD Set 5.1: A 30 MET CE :methyl 171:sc= -15.2! (180deg=-15.9!) USER MOD Set 5.2: A 35 MET CE :methyl -124:sc= -5.33! (180deg=-3.23!) USER MOD Set 5.3: A 44 ASN : amide:sc= -3.48 K(o=-24,f=-25) USER MOD Set 6.1: A 24 THR OG1 : rot 180:sc= 0.125 USER MOD Set 6.2: A 28 GLN : amide:sc= -2.59 K(o=-2.5,f=-1.6) USER MOD Set 7.1: A 11 GLN : amide:sc= 0.0118 X(o=-15,f=-15) USER MOD Set 7.2: A 12 HIS : no HD1:sc= -14.9! C(o=-15!,f=-12!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -6.41! C(o=-6.4!,f=-4.1!) USER MOD Single : A 13 MET CE :methyl -168:sc= -4.65! (180deg=-5.14) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -177:sc= 0.342 USER MOD Single : A 18 SER OG : rot -117:sc= -0.781 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -8.11! C(o=-8.1!,f=-12!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -1.94! C(o=-1.9!,f=-8.6!) USER MOD Single : A 36 THR OG1 : rot 101:sc= -4.16 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc=-0.00322 USER MOD Single : A 55 GLN : amide:sc= -9.39! C(o=-9.4!,f=-6.9!) USER MOD Single : A 56 ASN : amide:sc= -0.0337 X(o=-0.034,f=0) USER MOD Single : A 60 GLN : amide:sc= -4.17! K(o=-4.2!,f=-2.7) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.914 K(o=-0.91,f=-12!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 71 ASN : amide:sc= -6.78! C(o=-6.8!,f=-4.8!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= -0.0786 (180deg=-0.0786) USER MOD Single : A 76 ASN : amide:sc= -4.1! K(o=-4.1!,f=-2.1) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -3.92! C(o=-3.9!,f=-3!) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 TYR OH : rot -162:sc= 0.378 USER MOD Single : A 94 ASN : amide:sc= -1.17! C(o=-1.2!,f=-1.1!) USER MOD Single : A 97 TYR OH : rot 40:sc= -0.965 USER MOD Single : A 99 THR OG1 : rot 162:sc= 0.913 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HE2:sc= -4.14! X(o=-4.1!,f=-3.8) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc= -5.86! C(o=-5.9!,f=-6.2!) USER MOD Single : A 123 SER OG : rot 33:sc= 0.033 USER MOD ----------------------------------------------------------------- ATOM 49 N ARG A 4 -4.407 -0.103 -7.551 1.00 34.22 N ATOM 50 CA ARG A 4 -5.718 -0.628 -7.914 1.00 51.02 C ATOM 51 C ARG A 4 -5.621 -1.530 -9.141 1.00 33.52 C ATOM 52 O ARG A 4 -5.821 -2.741 -9.050 1.00 22.41 O ATOM 53 CB ARG A 4 -6.693 0.519 -8.187 1.00 45.24 C ATOM 54 CG ARG A 4 -8.077 0.055 -8.610 1.00 22.10 C ATOM 55 CD ARG A 4 -9.168 0.874 -7.938 1.00 71.42 C ATOM 56 NE ARG A 4 -10.464 0.696 -8.588 1.00 1.01 N ATOM 57 CZ ARG A 4 -11.275 -0.327 -8.343 1.00 22.22 C ATOM 58 NH1 ARG A 4 -10.925 -1.259 -7.467 1.00 34.20 N ATOM 59 NH2 ARG A 4 -12.438 -0.419 -8.974 1.00 72.32 N ATOM 0 HA ARG A 4 -6.089 -1.220 -7.077 1.00 51.02 H new ATOM 0 HB2 ARG A 4 -6.783 1.130 -7.289 1.00 45.24 H new ATOM 0 HB3 ARG A 4 -6.279 1.158 -8.967 1.00 45.24 H new ATOM 0 HG2 ARG A 4 -8.174 0.136 -9.693 1.00 22.10 H new ATOM 0 HG3 ARG A 4 -8.202 -0.998 -8.357 1.00 22.10 H new ATOM 0 HD2 ARG A 4 -9.245 0.585 -6.890 1.00 71.42 H new ATOM 0 HD3 ARG A 4 -8.894 1.929 -7.958 1.00 71.42 H new ATOM 0 HE ARG A 4 -10.763 1.396 -9.267 1.00 1.01 H new ATOM 0 HH11 ARG A 4 -10.031 -1.191 -6.980 1.00 34.20 H new ATOM 0 HH12 ARG A 4 -11.549 -2.044 -7.280 1.00 34.20 H new ATOM 0 HH21 ARG A 4 -12.710 0.296 -9.648 1.00 72.32 H new ATOM 0 HH22 ARG A 4 -13.060 -1.205 -8.785 1.00 72.32 H new ATOM 73 N ALA A 5 -5.314 -0.932 -10.287 1.00 15.31 N ATOM 74 CA ALA A 5 -5.190 -1.681 -11.531 1.00 21.12 C ATOM 75 C ALA A 5 -4.300 -2.905 -11.347 1.00 64.44 C ATOM 76 O ALA A 5 -4.486 -3.927 -12.009 1.00 14.10 O ATOM 77 CB ALA A 5 -4.641 -0.787 -12.633 1.00 22.12 C ATOM 0 H ALA A 5 -5.146 0.070 -10.380 1.00 15.31 H new ATOM 0 HA ALA A 5 -6.183 -2.026 -11.820 1.00 21.12 H new ATOM 0 HB1 ALA A 5 -4.554 -1.360 -13.556 1.00 22.12 H new ATOM 0 HB2 ALA A 5 -5.317 0.054 -12.790 1.00 22.12 H new ATOM 0 HB3 ALA A 5 -3.659 -0.414 -12.343 1.00 22.12 H new ATOM 83 N LYS A 6 -3.330 -2.796 -10.446 1.00 20.35 N ATOM 84 CA LYS A 6 -2.410 -3.894 -10.174 1.00 20.32 C ATOM 85 C LYS A 6 -3.172 -5.183 -9.880 1.00 51.34 C ATOM 86 O LYS A 6 -2.838 -6.247 -10.403 1.00 12.55 O ATOM 87 CB LYS A 6 -1.502 -3.546 -8.992 1.00 53.20 C ATOM 88 CG LYS A 6 -0.071 -3.238 -9.395 1.00 4.41 C ATOM 89 CD LYS A 6 0.698 -4.504 -9.734 1.00 2.41 C ATOM 90 CE LYS A 6 2.194 -4.319 -9.528 1.00 71.44 C ATOM 91 NZ LYS A 6 2.988 -5.293 -10.328 1.00 32.34 N ATOM 0 H LYS A 6 -3.160 -1.957 -9.891 1.00 20.35 H new ATOM 0 HA LYS A 6 -1.797 -4.049 -11.062 1.00 20.32 H new ATOM 0 HB2 LYS A 6 -1.916 -2.685 -8.468 1.00 53.20 H new ATOM 0 HB3 LYS A 6 -1.501 -4.378 -8.288 1.00 53.20 H new ATOM 0 HG2 LYS A 6 -0.070 -2.569 -10.256 1.00 4.41 H new ATOM 0 HG3 LYS A 6 0.432 -2.712 -8.583 1.00 4.41 H new ATOM 0 HD2 LYS A 6 0.343 -5.325 -9.111 1.00 2.41 H new ATOM 0 HD3 LYS A 6 0.504 -4.783 -10.770 1.00 2.41 H new ATOM 0 HE2 LYS A 6 2.476 -3.304 -9.807 1.00 71.44 H new ATOM 0 HE3 LYS A 6 2.433 -4.437 -8.471 1.00 71.44 H new ATOM 0 HZ1 LYS A 6 4.002 -5.135 -10.161 1.00 32.34 H new ATOM 0 HZ2 LYS A 6 2.737 -6.262 -10.044 1.00 32.34 H new ATOM 0 HZ3 LYS A 6 2.780 -5.164 -11.339 1.00 32.34 H new ATOM 105 N LYS A 7 -4.198 -5.080 -9.043 1.00 14.12 N ATOM 106 CA LYS A 7 -5.011 -6.236 -8.682 1.00 5.23 C ATOM 107 C LYS A 7 -5.592 -6.902 -9.925 1.00 22.04 C ATOM 108 O LYS A 7 -5.751 -8.122 -9.970 1.00 63.13 O ATOM 109 CB LYS A 7 -6.141 -5.816 -7.739 1.00 62.30 C ATOM 110 CG LYS A 7 -6.010 -6.390 -6.339 1.00 22.50 C ATOM 111 CD LYS A 7 -5.370 -5.395 -5.386 1.00 21.13 C ATOM 112 CE LYS A 7 -6.116 -5.332 -4.062 1.00 33.31 C ATOM 113 NZ LYS A 7 -5.567 -6.297 -3.069 1.00 43.31 N ATOM 0 H LYS A 7 -4.487 -4.207 -8.601 1.00 14.12 H new ATOM 0 HA LYS A 7 -4.370 -6.955 -8.173 1.00 5.23 H new ATOM 0 HB2 LYS A 7 -6.165 -4.728 -7.676 1.00 62.30 H new ATOM 0 HB3 LYS A 7 -7.094 -6.131 -8.164 1.00 62.30 H new ATOM 0 HG2 LYS A 7 -6.995 -6.670 -5.966 1.00 22.50 H new ATOM 0 HG3 LYS A 7 -5.411 -7.300 -6.372 1.00 22.50 H new ATOM 0 HD2 LYS A 7 -4.332 -5.677 -5.207 1.00 21.13 H new ATOM 0 HD3 LYS A 7 -5.357 -4.406 -5.845 1.00 21.13 H new ATOM 0 HE2 LYS A 7 -6.055 -4.321 -3.658 1.00 33.31 H new ATOM 0 HE3 LYS A 7 -7.172 -5.545 -4.230 1.00 33.31 H new ATOM 0 HZ1 LYS A 7 -6.102 -6.223 -2.180 1.00 43.31 H new ATOM 0 HZ2 LYS A 7 -5.649 -7.264 -3.443 1.00 43.31 H new ATOM 0 HZ3 LYS A 7 -4.566 -6.079 -2.889 1.00 43.31 H new ATOM 127 N PHE A 8 -5.906 -6.094 -10.931 1.00 51.35 N ATOM 128 CA PHE A 8 -6.469 -6.605 -12.175 1.00 73.45 C ATOM 129 C PHE A 8 -5.429 -7.404 -12.956 1.00 1.33 C ATOM 130 O PHE A 8 -5.767 -8.329 -13.693 1.00 54.22 O ATOM 131 CB PHE A 8 -6.994 -5.453 -13.035 1.00 21.14 C ATOM 132 CG PHE A 8 -7.398 -5.873 -14.419 1.00 30.21 C ATOM 133 CD1 PHE A 8 -8.592 -6.542 -14.633 1.00 55.01 C ATOM 134 CD2 PHE A 8 -6.584 -5.599 -15.506 1.00 2.22 C ATOM 135 CE1 PHE A 8 -8.966 -6.930 -15.906 1.00 32.22 C ATOM 136 CE2 PHE A 8 -6.953 -5.984 -16.781 1.00 25.30 C ATOM 137 CZ PHE A 8 -8.146 -6.650 -16.981 1.00 61.02 C ATOM 0 H PHE A 8 -5.780 -5.082 -10.909 1.00 51.35 H new ATOM 0 HA PHE A 8 -7.297 -7.268 -11.923 1.00 73.45 H new ATOM 0 HB2 PHE A 8 -7.851 -5.000 -12.537 1.00 21.14 H new ATOM 0 HB3 PHE A 8 -6.224 -4.684 -13.107 1.00 21.14 H new ATOM 0 HD1 PHE A 8 -9.238 -6.763 -13.796 1.00 55.01 H new ATOM 0 HD2 PHE A 8 -5.650 -5.078 -15.355 1.00 2.22 H new ATOM 0 HE1 PHE A 8 -9.899 -7.452 -16.060 1.00 32.22 H new ATOM 0 HE2 PHE A 8 -6.309 -5.764 -17.620 1.00 25.30 H new ATOM 0 HZ PHE A 8 -8.437 -6.951 -17.976 1.00 61.02 H new ATOM 147 N GLN A 9 -4.162 -7.038 -12.787 1.00 14.31 N ATOM 148 CA GLN A 9 -3.073 -7.719 -13.476 1.00 4.41 C ATOM 149 C GLN A 9 -2.930 -9.155 -12.983 1.00 3.43 C ATOM 150 O GLN A 9 -2.941 -10.097 -13.775 1.00 22.24 O ATOM 151 CB GLN A 9 -1.759 -6.963 -13.269 1.00 40.42 C ATOM 152 CG GLN A 9 -1.438 -5.984 -14.387 1.00 43.02 C ATOM 153 CD GLN A 9 -1.724 -4.545 -14.004 1.00 22.52 C ATOM 154 OE1 GLN A 9 -0.888 -3.874 -13.398 1.00 20.54 O ATOM 155 NE2 GLN A 9 -2.910 -4.063 -14.356 1.00 62.22 N ATOM 0 H GLN A 9 -3.865 -6.274 -12.179 1.00 14.31 H new ATOM 0 HA GLN A 9 -3.308 -7.742 -14.540 1.00 4.41 H new ATOM 0 HB2 GLN A 9 -1.806 -6.421 -12.325 1.00 40.42 H new ATOM 0 HB3 GLN A 9 -0.945 -7.683 -13.183 1.00 40.42 H new ATOM 0 HG2 GLN A 9 -0.387 -6.081 -14.659 1.00 43.02 H new ATOM 0 HG3 GLN A 9 -2.021 -6.243 -15.270 1.00 43.02 H new ATOM 0 HE21 GLN A 9 -3.573 -4.655 -14.857 1.00 62.22 H new ATOM 0 HE22 GLN A 9 -3.159 -3.101 -14.125 1.00 62.22 H new ATOM 164 N ARG A 10 -2.795 -9.314 -11.670 1.00 50.41 N ATOM 165 CA ARG A 10 -2.648 -10.635 -11.072 1.00 12.24 C ATOM 166 C ARG A 10 -3.984 -11.372 -11.046 1.00 52.41 C ATOM 167 O ARG A 10 -4.096 -12.453 -10.469 1.00 41.20 O ATOM 168 CB ARG A 10 -2.092 -10.516 -9.651 1.00 51.14 C ATOM 169 CG ARG A 10 -0.840 -9.659 -9.557 1.00 53.13 C ATOM 170 CD ARG A 10 -0.244 -9.695 -8.159 1.00 13.02 C ATOM 171 NE ARG A 10 -0.481 -8.451 -7.431 1.00 23.22 N ATOM 172 CZ ARG A 10 0.283 -8.029 -6.429 1.00 70.50 C ATOM 173 NH1 ARG A 10 1.327 -8.748 -6.039 1.00 33.02 N ATOM 174 NH2 ARG A 10 0.004 -6.886 -5.816 1.00 35.42 N ATOM 0 H ARG A 10 -2.784 -8.544 -11.001 1.00 50.41 H new ATOM 0 HA ARG A 10 -1.949 -11.207 -11.682 1.00 12.24 H new ATOM 0 HB2 ARG A 10 -2.860 -10.094 -9.003 1.00 51.14 H new ATOM 0 HB3 ARG A 10 -1.869 -11.513 -9.273 1.00 51.14 H new ATOM 0 HG2 ARG A 10 -0.102 -10.011 -10.278 1.00 53.13 H new ATOM 0 HG3 ARG A 10 -1.081 -8.630 -9.825 1.00 53.13 H new ATOM 0 HD2 ARG A 10 -0.674 -10.528 -7.603 1.00 13.02 H new ATOM 0 HD3 ARG A 10 0.829 -9.877 -8.227 1.00 13.02 H new ATOM 0 HE ARG A 10 -1.276 -7.875 -7.707 1.00 23.22 H new ATOM 0 HH11 ARG A 10 1.545 -9.627 -6.508 1.00 33.02 H new ATOM 0 HH12 ARG A 10 1.912 -8.422 -5.270 1.00 33.02 H new ATOM 0 HH21 ARG A 10 -0.798 -6.330 -6.114 1.00 35.42 H new ATOM 0 HH22 ARG A 10 0.591 -6.563 -5.047 1.00 35.42 H new ATOM 188 N GLN A 11 -4.994 -10.778 -11.675 1.00 25.10 N ATOM 189 CA GLN A 11 -6.322 -11.378 -11.723 1.00 3.01 C ATOM 190 C GLN A 11 -6.536 -12.121 -13.037 1.00 71.23 C ATOM 191 O GLN A 11 -6.823 -13.319 -13.046 1.00 3.13 O ATOM 192 CB GLN A 11 -7.396 -10.303 -11.550 1.00 33.32 C ATOM 193 CG GLN A 11 -8.355 -10.581 -10.403 1.00 41.31 C ATOM 194 CD GLN A 11 -9.413 -9.505 -10.254 1.00 21.23 C ATOM 195 OE1 GLN A 11 -10.346 -9.421 -11.053 1.00 11.14 O ATOM 196 NE2 GLN A 11 -9.273 -8.675 -9.226 1.00 60.44 N ATOM 0 H GLN A 11 -4.918 -9.883 -12.158 1.00 25.10 H new ATOM 0 HA GLN A 11 -6.400 -12.094 -10.905 1.00 3.01 H new ATOM 0 HB2 GLN A 11 -6.912 -9.341 -11.383 1.00 33.32 H new ATOM 0 HB3 GLN A 11 -7.965 -10.217 -12.476 1.00 33.32 H new ATOM 0 HG2 GLN A 11 -8.841 -11.543 -10.566 1.00 41.31 H new ATOM 0 HG3 GLN A 11 -7.791 -10.662 -9.474 1.00 41.31 H new ATOM 0 HE21 GLN A 11 -8.484 -8.781 -8.588 1.00 60.44 H new ATOM 0 HE22 GLN A 11 -9.955 -7.931 -9.074 1.00 60.44 H new ATOM 205 N HIS A 12 -6.396 -11.403 -14.147 1.00 61.32 N ATOM 206 CA HIS A 12 -6.574 -11.995 -15.468 1.00 71.33 C ATOM 207 C HIS A 12 -5.283 -11.917 -16.277 1.00 60.14 C ATOM 208 O HIS A 12 -4.946 -12.841 -17.017 1.00 21.21 O ATOM 209 CB HIS A 12 -7.704 -11.289 -16.219 1.00 5.12 C ATOM 210 CG HIS A 12 -8.775 -10.751 -15.321 1.00 23.02 C ATOM 211 ND1 HIS A 12 -9.980 -11.390 -15.121 1.00 55.44 N ATOM 212 CD2 HIS A 12 -8.816 -9.629 -14.565 1.00 43.44 C ATOM 213 CE1 HIS A 12 -10.718 -10.682 -14.284 1.00 25.43 C ATOM 214 NE2 HIS A 12 -10.033 -9.609 -13.931 1.00 34.01 N ATOM 0 H HIS A 12 -6.160 -10.411 -14.158 1.00 61.32 H new ATOM 0 HA HIS A 12 -6.836 -13.045 -15.336 1.00 71.33 H new ATOM 0 HB2 HIS A 12 -7.285 -10.469 -16.802 1.00 5.12 H new ATOM 0 HB3 HIS A 12 -8.151 -11.988 -16.926 1.00 5.12 H new ATOM 0 HD2 HIS A 12 -8.036 -8.887 -14.477 1.00 43.44 H new ATOM 0 HE1 HIS A 12 -11.712 -10.937 -13.946 1.00 25.43 H new ATOM 0 HE2 HIS A 12 -10.356 -8.883 -13.291 1.00 34.01 H new ATOM 222 N MET A 13 -4.565 -10.808 -16.132 1.00 14.01 N ATOM 223 CA MET A 13 -3.311 -10.610 -16.849 1.00 72.12 C ATOM 224 C MET A 13 -2.259 -11.616 -16.392 1.00 53.05 C ATOM 225 O MET A 13 -1.655 -11.458 -15.331 1.00 74.13 O ATOM 226 CB MET A 13 -2.797 -9.185 -16.637 1.00 41.10 C ATOM 227 CG MET A 13 -3.866 -8.120 -16.819 1.00 41.33 C ATOM 228 SD MET A 13 -4.470 -8.025 -18.516 1.00 5.43 S ATOM 229 CE MET A 13 -2.941 -7.731 -19.403 1.00 15.12 C ATOM 0 H MET A 13 -4.830 -10.033 -15.524 1.00 14.01 H new ATOM 0 HA MET A 13 -3.500 -10.766 -17.911 1.00 72.12 H new ATOM 0 HB2 MET A 13 -2.381 -9.103 -15.633 1.00 41.10 H new ATOM 0 HB3 MET A 13 -1.982 -8.994 -17.336 1.00 41.10 H new ATOM 0 HG2 MET A 13 -4.701 -8.331 -16.151 1.00 41.33 H new ATOM 0 HG3 MET A 13 -3.462 -7.151 -16.527 1.00 41.33 H new ATOM 0 HE1 MET A 13 -3.166 -7.438 -20.429 1.00 15.12 H new ATOM 0 HE2 MET A 13 -2.383 -6.934 -18.912 1.00 15.12 H new ATOM 0 HE3 MET A 13 -2.343 -8.642 -19.409 1.00 15.12 H new ATOM 239 N ASP A 14 -2.046 -12.649 -17.200 1.00 25.14 N ATOM 240 CA ASP A 14 -1.066 -13.680 -16.878 1.00 63.45 C ATOM 241 C ASP A 14 0.037 -13.729 -17.931 1.00 44.41 C ATOM 242 O ASP A 14 0.766 -14.715 -18.036 1.00 4.11 O ATOM 243 CB ASP A 14 -1.747 -15.046 -16.773 1.00 2.25 C ATOM 244 CG ASP A 14 -1.558 -15.885 -18.021 1.00 23.44 C ATOM 245 OD1 ASP A 14 -2.372 -15.748 -18.957 1.00 12.32 O ATOM 246 OD2 ASP A 14 -0.596 -16.681 -18.061 1.00 24.03 O ATOM 0 H ASP A 14 -2.538 -12.795 -18.082 1.00 25.14 H new ATOM 0 HA ASP A 14 -0.616 -13.431 -15.917 1.00 63.45 H new ATOM 0 HB2 ASP A 14 -1.346 -15.583 -15.913 1.00 2.25 H new ATOM 0 HB3 ASP A 14 -2.812 -14.904 -16.592 1.00 2.25 H new ATOM 251 N SER A 15 0.153 -12.657 -18.709 1.00 71.45 N ATOM 252 CA SER A 15 1.164 -12.579 -19.758 1.00 33.54 C ATOM 253 C SER A 15 2.423 -13.342 -19.356 1.00 12.32 C ATOM 254 O SER A 15 3.084 -13.956 -20.193 1.00 51.34 O ATOM 255 CB SER A 15 1.511 -11.119 -20.053 1.00 75.14 C ATOM 256 OG SER A 15 2.008 -10.469 -18.897 1.00 4.20 O ATOM 0 H SER A 15 -0.440 -11.831 -18.633 1.00 71.45 H new ATOM 0 HA SER A 15 0.755 -13.037 -20.659 1.00 33.54 H new ATOM 0 HB2 SER A 15 2.255 -11.072 -20.848 1.00 75.14 H new ATOM 0 HB3 SER A 15 0.625 -10.597 -20.415 1.00 75.14 H new ATOM 0 HG SER A 15 2.224 -9.538 -19.113 1.00 4.20 H new ATOM 262 N ASP A 16 2.748 -13.297 -18.069 1.00 30.14 N ATOM 263 CA ASP A 16 3.927 -13.984 -17.554 1.00 10.24 C ATOM 264 C ASP A 16 4.030 -15.393 -18.129 1.00 50.33 C ATOM 265 O ASP A 16 5.011 -15.734 -18.791 1.00 15.51 O ATOM 266 CB ASP A 16 3.881 -14.046 -16.026 1.00 51.31 C ATOM 267 CG ASP A 16 5.245 -14.302 -15.416 1.00 34.24 C ATOM 268 OD1 ASP A 16 6.212 -13.621 -15.817 1.00 21.54 O ATOM 269 OD2 ASP A 16 5.344 -15.183 -14.536 1.00 44.13 O ATOM 0 H ASP A 16 2.212 -12.792 -17.363 1.00 30.14 H new ATOM 0 HA ASP A 16 4.808 -13.420 -17.861 1.00 10.24 H new ATOM 0 HB2 ASP A 16 3.483 -13.108 -15.639 1.00 51.31 H new ATOM 0 HB3 ASP A 16 3.194 -14.835 -15.718 1.00 51.31 H new ATOM 274 N SER A 17 3.012 -16.208 -17.872 1.00 11.41 N ATOM 275 CA SER A 17 2.990 -17.581 -18.360 1.00 61.42 C ATOM 276 C SER A 17 3.215 -17.625 -19.869 1.00 34.43 C ATOM 277 O SER A 17 3.305 -16.588 -20.524 1.00 53.45 O ATOM 278 CB SER A 17 1.658 -18.248 -18.012 1.00 13.22 C ATOM 279 OG SER A 17 1.854 -19.579 -17.568 1.00 21.05 O ATOM 0 H SER A 17 2.191 -15.941 -17.328 1.00 11.41 H new ATOM 0 HA SER A 17 3.799 -18.126 -17.873 1.00 61.42 H new ATOM 0 HB2 SER A 17 1.152 -17.673 -17.236 1.00 13.22 H new ATOM 0 HB3 SER A 17 1.007 -18.245 -18.886 1.00 13.22 H new ATOM 0 HG SER A 17 0.985 -20.000 -17.402 1.00 21.05 H new ATOM 285 N SER A 18 3.304 -18.835 -20.412 1.00 71.12 N ATOM 286 CA SER A 18 3.522 -19.016 -21.843 1.00 31.23 C ATOM 287 C SER A 18 2.269 -18.652 -22.633 1.00 41.25 C ATOM 288 O SER A 18 1.141 -18.895 -22.205 1.00 12.42 O ATOM 289 CB SER A 18 3.924 -20.462 -22.140 1.00 33.12 C ATOM 290 OG SER A 18 4.073 -20.674 -23.533 1.00 1.10 O ATOM 0 H SER A 18 3.229 -19.704 -19.883 1.00 71.12 H new ATOM 0 HA SER A 18 4.330 -18.352 -22.150 1.00 31.23 H new ATOM 0 HB2 SER A 18 4.860 -20.694 -21.631 1.00 33.12 H new ATOM 0 HB3 SER A 18 3.169 -21.141 -21.744 1.00 33.12 H new ATOM 0 HG SER A 18 3.421 -21.340 -23.834 1.00 1.10 H new ATOM 296 N PRO A 19 2.471 -18.054 -23.817 1.00 74.12 N ATOM 297 CA PRO A 19 1.370 -17.643 -24.694 1.00 61.42 C ATOM 298 C PRO A 19 0.643 -18.835 -25.309 1.00 1.42 C ATOM 299 O PRO A 19 -0.257 -18.667 -26.132 1.00 65.51 O ATOM 300 CB PRO A 19 2.070 -16.825 -25.782 1.00 0.20 C ATOM 301 CG PRO A 19 3.466 -17.344 -25.807 1.00 3.50 C ATOM 302 CD PRO A 19 3.788 -17.734 -24.391 1.00 5.10 C ATOM 0 HA PRO A 19 0.602 -17.090 -24.153 1.00 61.42 H new ATOM 0 HB2 PRO A 19 1.583 -16.953 -26.749 1.00 0.20 H new ATOM 0 HB3 PRO A 19 2.048 -15.760 -25.552 1.00 0.20 H new ATOM 0 HG2 PRO A 19 3.552 -18.200 -26.477 1.00 3.50 H new ATOM 0 HG3 PRO A 19 4.158 -16.584 -26.170 1.00 3.50 H new ATOM 0 HD2 PRO A 19 4.461 -18.590 -24.353 1.00 5.10 H new ATOM 0 HD3 PRO A 19 4.275 -16.922 -23.851 1.00 5.10 H new ATOM 310 N SER A 20 1.039 -20.037 -24.903 1.00 74.01 N ATOM 311 CA SER A 20 0.427 -21.257 -25.417 1.00 15.31 C ATOM 312 C SER A 20 0.592 -22.406 -24.428 1.00 25.34 C ATOM 313 O SER A 20 1.695 -22.919 -24.234 1.00 12.33 O ATOM 314 CB SER A 20 1.045 -21.635 -26.764 1.00 5.21 C ATOM 315 OG SER A 20 0.369 -22.736 -27.345 1.00 20.11 O ATOM 0 H SER A 20 1.780 -20.192 -24.220 1.00 74.01 H new ATOM 0 HA SER A 20 -0.638 -21.069 -25.554 1.00 15.31 H new ATOM 0 HB2 SER A 20 1.002 -20.781 -27.440 1.00 5.21 H new ATOM 0 HB3 SER A 20 2.098 -21.882 -26.628 1.00 5.21 H new ATOM 0 HG SER A 20 0.782 -22.957 -28.206 1.00 20.11 H new ATOM 321 N SER A 21 -0.511 -22.806 -23.804 1.00 73.22 N ATOM 322 CA SER A 21 -0.489 -23.892 -22.832 1.00 21.44 C ATOM 323 C SER A 21 -1.875 -24.510 -22.675 1.00 71.11 C ATOM 324 O SER A 21 -2.851 -23.811 -22.401 1.00 62.33 O ATOM 325 CB SER A 21 0.011 -23.383 -21.478 1.00 72.22 C ATOM 326 OG SER A 21 1.134 -24.126 -21.037 1.00 33.33 O ATOM 0 H SER A 21 -1.432 -22.394 -23.955 1.00 73.22 H new ATOM 0 HA SER A 21 0.192 -24.660 -23.198 1.00 21.44 H new ATOM 0 HB2 SER A 21 0.277 -22.329 -21.558 1.00 72.22 H new ATOM 0 HB3 SER A 21 -0.789 -23.455 -20.741 1.00 72.22 H new ATOM 0 HG SER A 21 1.435 -23.780 -20.171 1.00 33.33 H new ATOM 332 N SER A 22 -1.953 -25.825 -22.851 1.00 74.21 N ATOM 333 CA SER A 22 -3.220 -26.538 -22.733 1.00 61.25 C ATOM 334 C SER A 22 -3.319 -27.252 -21.389 1.00 2.24 C ATOM 335 O SER A 22 -4.409 -27.425 -20.844 1.00 10.01 O ATOM 336 CB SER A 22 -3.368 -27.549 -23.872 1.00 70.21 C ATOM 337 OG SER A 22 -4.653 -28.146 -23.860 1.00 71.31 O ATOM 0 H SER A 22 -1.154 -26.418 -23.076 1.00 74.21 H new ATOM 0 HA SER A 22 -4.027 -25.808 -22.797 1.00 61.25 H new ATOM 0 HB2 SER A 22 -3.204 -27.051 -24.828 1.00 70.21 H new ATOM 0 HB3 SER A 22 -2.604 -28.321 -23.779 1.00 70.21 H new ATOM 0 HG SER A 22 -4.723 -28.787 -24.598 1.00 71.31 H new ATOM 343 N SER A 23 -2.172 -27.664 -20.859 1.00 5.23 N ATOM 344 CA SER A 23 -2.128 -28.362 -19.579 1.00 64.23 C ATOM 345 C SER A 23 -2.875 -27.577 -18.506 1.00 33.11 C ATOM 346 O SER A 23 -3.520 -26.568 -18.793 1.00 41.20 O ATOM 347 CB SER A 23 -0.678 -28.586 -19.146 1.00 65.42 C ATOM 348 OG SER A 23 -0.078 -27.374 -18.723 1.00 54.10 O ATOM 0 H SER A 23 -1.261 -27.527 -21.296 1.00 5.23 H new ATOM 0 HA SER A 23 -2.616 -29.329 -19.704 1.00 64.23 H new ATOM 0 HB2 SER A 23 -0.646 -29.314 -18.335 1.00 65.42 H new ATOM 0 HB3 SER A 23 -0.109 -29.007 -19.975 1.00 65.42 H new ATOM 0 HG SER A 23 0.848 -27.545 -18.450 1.00 54.10 H new ATOM 354 N THR A 24 -2.785 -28.048 -17.266 1.00 23.10 N ATOM 355 CA THR A 24 -3.453 -27.393 -16.149 1.00 4.33 C ATOM 356 C THR A 24 -2.796 -26.056 -15.823 1.00 51.02 C ATOM 357 O THR A 24 -2.987 -25.507 -14.738 1.00 32.54 O ATOM 358 CB THR A 24 -3.440 -28.278 -14.889 1.00 24.45 C ATOM 359 OG1 THR A 24 -2.401 -29.259 -14.989 1.00 45.43 O ATOM 360 CG2 THR A 24 -4.781 -28.971 -14.700 1.00 63.33 C ATOM 0 H THR A 24 -2.255 -28.881 -17.010 1.00 23.10 H new ATOM 0 HA THR A 24 -4.486 -27.223 -16.454 1.00 4.33 H new ATOM 0 HB THR A 24 -3.254 -27.639 -14.026 1.00 24.45 H new ATOM 0 HG1 THR A 24 -2.399 -29.816 -14.183 1.00 45.43 H new ATOM 0 HG21 THR A 24 -4.747 -29.590 -13.804 1.00 63.33 H new ATOM 0 HG22 THR A 24 -5.566 -28.222 -14.594 1.00 63.33 H new ATOM 0 HG23 THR A 24 -4.992 -29.598 -15.566 1.00 63.33 H new ATOM 368 N TYR A 25 -2.023 -25.536 -16.770 1.00 25.23 N ATOM 369 CA TYR A 25 -1.336 -24.264 -16.582 1.00 50.45 C ATOM 370 C TYR A 25 -2.174 -23.312 -15.734 1.00 31.22 C ATOM 371 O TYR A 25 -1.686 -22.733 -14.763 1.00 43.01 O ATOM 372 CB TYR A 25 -1.030 -23.621 -17.936 1.00 65.45 C ATOM 373 CG TYR A 25 -1.469 -22.178 -18.036 1.00 30.15 C ATOM 374 CD1 TYR A 25 -1.146 -21.263 -17.041 1.00 41.04 C ATOM 375 CD2 TYR A 25 -2.207 -21.729 -19.124 1.00 61.52 C ATOM 376 CE1 TYR A 25 -1.546 -19.944 -17.128 1.00 11.44 C ATOM 377 CE2 TYR A 25 -2.610 -20.412 -19.219 1.00 51.55 C ATOM 378 CZ TYR A 25 -2.278 -19.523 -18.218 1.00 42.35 C ATOM 379 OH TYR A 25 -2.677 -18.209 -18.309 1.00 11.13 O ATOM 0 H TYR A 25 -1.857 -25.976 -17.675 1.00 25.23 H new ATOM 0 HA TYR A 25 -0.400 -24.460 -16.059 1.00 50.45 H new ATOM 0 HB2 TYR A 25 0.042 -23.679 -18.122 1.00 65.45 H new ATOM 0 HB3 TYR A 25 -1.521 -24.196 -18.721 1.00 65.45 H new ATOM 0 HD1 TYR A 25 -0.573 -21.589 -16.186 1.00 41.04 H new ATOM 0 HD2 TYR A 25 -2.470 -22.422 -19.909 1.00 61.52 H new ATOM 0 HE1 TYR A 25 -1.287 -19.246 -16.346 1.00 11.44 H new ATOM 0 HE2 TYR A 25 -3.182 -20.080 -20.073 1.00 51.55 H new ATOM 0 HH TYR A 25 -2.334 -17.820 -19.140 1.00 11.13 H new ATOM 389 N CYS A 26 -3.440 -23.156 -16.107 1.00 21.41 N ATOM 390 CA CYS A 26 -4.348 -22.276 -15.382 1.00 35.41 C ATOM 391 C CYS A 26 -4.755 -22.894 -14.047 1.00 70.53 C ATOM 392 O CYS A 26 -4.548 -22.303 -12.989 1.00 2.31 O ATOM 393 CB CYS A 26 -5.593 -21.989 -16.224 1.00 13.24 C ATOM 394 SG CYS A 26 -5.810 -20.232 -16.655 1.00 20.24 S ATOM 0 H CYS A 26 -3.860 -23.628 -16.908 1.00 21.41 H new ATOM 0 HA CYS A 26 -3.826 -21.339 -15.185 1.00 35.41 H new ATOM 0 HB2 CYS A 26 -5.540 -22.574 -17.142 1.00 13.24 H new ATOM 0 HB3 CYS A 26 -6.473 -22.330 -15.679 1.00 13.24 H new ATOM 399 N ASN A 27 -5.335 -24.089 -14.107 1.00 1.11 N ATOM 400 CA ASN A 27 -5.771 -24.788 -12.903 1.00 42.24 C ATOM 401 C ASN A 27 -4.860 -24.461 -11.724 1.00 42.41 C ATOM 402 O ASN A 27 -5.317 -24.351 -10.587 1.00 24.43 O ATOM 403 CB ASN A 27 -5.789 -26.299 -13.144 1.00 52.42 C ATOM 404 CG ASN A 27 -6.348 -27.066 -11.961 1.00 44.13 C ATOM 405 OD1 ASN A 27 -7.251 -26.593 -11.271 1.00 70.32 O ATOM 406 ND2 ASN A 27 -5.810 -28.256 -11.722 1.00 34.53 N ATOM 0 H ASN A 27 -5.514 -24.593 -14.976 1.00 1.11 H new ATOM 0 HA ASN A 27 -6.780 -24.453 -12.664 1.00 42.24 H new ATOM 0 HB2 ASN A 27 -6.387 -26.516 -14.029 1.00 52.42 H new ATOM 0 HB3 ASN A 27 -4.776 -26.643 -13.351 1.00 52.42 H new ATOM 0 HD21 ASN A 27 -6.144 -28.819 -10.939 1.00 34.53 H new ATOM 0 HD22 ASN A 27 -5.063 -28.608 -12.321 1.00 34.53 H new ATOM 413 N GLN A 28 -3.570 -24.305 -12.005 1.00 71.02 N ATOM 414 CA GLN A 28 -2.595 -23.990 -10.968 1.00 32.45 C ATOM 415 C GLN A 28 -2.524 -22.486 -10.725 1.00 74.32 C ATOM 416 O GLN A 28 -2.912 -22.000 -9.663 1.00 62.21 O ATOM 417 CB GLN A 28 -1.215 -24.522 -11.357 1.00 43.32 C ATOM 418 CG GLN A 28 -1.001 -25.983 -10.996 1.00 51.22 C ATOM 419 CD GLN A 28 -1.514 -26.929 -12.064 1.00 43.21 C ATOM 420 OE1 GLN A 28 -2.316 -27.821 -11.786 1.00 64.13 O ATOM 421 NE2 GLN A 28 -1.053 -26.738 -13.295 1.00 22.42 N ATOM 0 H GLN A 28 -3.176 -24.392 -12.942 1.00 71.02 H new ATOM 0 HA GLN A 28 -2.916 -24.473 -10.045 1.00 32.45 H new ATOM 0 HB2 GLN A 28 -1.077 -24.398 -12.431 1.00 43.32 H new ATOM 0 HB3 GLN A 28 -0.451 -23.920 -10.866 1.00 43.32 H new ATOM 0 HG2 GLN A 28 0.062 -26.162 -10.838 1.00 51.22 H new ATOM 0 HG3 GLN A 28 -1.504 -26.198 -10.053 1.00 51.22 H new ATOM 0 HE21 GLN A 28 -0.389 -25.986 -13.480 1.00 22.42 H new ATOM 0 HE22 GLN A 28 -1.363 -27.343 -14.055 1.00 22.42 H new ATOM 430 N MET A 29 -2.027 -21.755 -11.717 1.00 2.10 N ATOM 431 CA MET A 29 -1.906 -20.305 -11.611 1.00 72.41 C ATOM 432 C MET A 29 -3.026 -19.728 -10.751 1.00 23.23 C ATOM 433 O MET A 29 -2.782 -19.227 -9.653 1.00 71.15 O ATOM 434 CB MET A 29 -1.934 -19.667 -13.001 1.00 54.01 C ATOM 435 CG MET A 29 -0.661 -19.892 -13.799 1.00 65.33 C ATOM 436 SD MET A 29 0.256 -18.367 -14.090 1.00 52.12 S ATOM 437 CE MET A 29 0.988 -18.099 -12.478 1.00 30.03 C ATOM 0 H MET A 29 -1.702 -22.142 -12.603 1.00 2.10 H new ATOM 0 HA MET A 29 -0.952 -20.078 -11.134 1.00 72.41 H new ATOM 0 HB2 MET A 29 -2.779 -20.070 -13.560 1.00 54.01 H new ATOM 0 HB3 MET A 29 -2.103 -18.595 -12.896 1.00 54.01 H new ATOM 0 HG2 MET A 29 -0.024 -20.599 -13.267 1.00 65.33 H new ATOM 0 HG3 MET A 29 -0.913 -20.348 -14.756 1.00 65.33 H new ATOM 0 HE1 MET A 29 1.588 -17.189 -12.498 1.00 30.03 H new ATOM 0 HE2 MET A 29 0.199 -17.998 -11.733 1.00 30.03 H new ATOM 0 HE3 MET A 29 1.623 -18.947 -12.221 1.00 30.03 H new ATOM 447 N MET A 30 -4.253 -19.802 -11.256 1.00 45.14 N ATOM 448 CA MET A 30 -5.409 -19.287 -10.533 1.00 12.13 C ATOM 449 C MET A 30 -5.314 -19.621 -9.047 1.00 42.34 C ATOM 450 O MET A 30 -5.550 -18.766 -8.193 1.00 43.03 O ATOM 451 CB MET A 30 -6.701 -19.864 -11.115 1.00 64.43 C ATOM 452 CG MET A 30 -6.904 -19.536 -12.586 1.00 30.25 C ATOM 453 SD MET A 30 -7.946 -18.086 -12.836 1.00 21.12 S ATOM 454 CE MET A 30 -7.271 -16.969 -11.609 1.00 50.45 C ATOM 0 H MET A 30 -4.472 -20.214 -12.163 1.00 45.14 H new ATOM 0 HA MET A 30 -5.422 -18.203 -10.644 1.00 12.13 H new ATOM 0 HB2 MET A 30 -6.694 -20.947 -10.990 1.00 64.43 H new ATOM 0 HB3 MET A 30 -7.549 -19.483 -10.546 1.00 64.43 H new ATOM 0 HG2 MET A 30 -5.934 -19.367 -13.054 1.00 30.25 H new ATOM 0 HG3 MET A 30 -7.354 -20.393 -13.087 1.00 30.25 H new ATOM 0 HE1 MET A 30 -7.700 -15.976 -11.745 1.00 50.45 H new ATOM 0 HE2 MET A 30 -7.513 -17.335 -10.611 1.00 50.45 H new ATOM 0 HE3 MET A 30 -6.188 -16.915 -11.723 1.00 50.45 H new ATOM 464 N ARG A 31 -4.967 -20.868 -8.747 1.00 33.03 N ATOM 465 CA ARG A 31 -4.843 -21.314 -7.364 1.00 63.34 C ATOM 466 C ARG A 31 -3.640 -20.663 -6.689 1.00 44.41 C ATOM 467 O ARG A 31 -3.637 -20.446 -5.477 1.00 73.41 O ATOM 468 CB ARG A 31 -4.710 -22.837 -7.308 1.00 21.22 C ATOM 469 CG ARG A 31 -3.827 -23.330 -6.173 1.00 14.24 C ATOM 470 CD ARG A 31 -3.696 -24.845 -6.186 1.00 43.35 C ATOM 471 NE ARG A 31 -4.630 -25.484 -5.263 1.00 44.14 N ATOM 472 CZ ARG A 31 -4.434 -26.687 -4.735 1.00 44.22 C ATOM 473 NH1 ARG A 31 -3.343 -27.377 -5.037 1.00 64.21 N ATOM 474 NH2 ARG A 31 -5.330 -27.201 -3.903 1.00 24.33 N ATOM 0 H ARG A 31 -4.767 -21.587 -9.442 1.00 33.03 H new ATOM 0 HA ARG A 31 -5.744 -21.014 -6.829 1.00 63.34 H new ATOM 0 HB2 ARG A 31 -5.702 -23.276 -7.202 1.00 21.22 H new ATOM 0 HB3 ARG A 31 -4.303 -23.193 -8.255 1.00 21.22 H new ATOM 0 HG2 ARG A 31 -2.839 -22.878 -6.257 1.00 14.24 H new ATOM 0 HG3 ARG A 31 -4.245 -23.008 -5.219 1.00 14.24 H new ATOM 0 HD2 ARG A 31 -3.874 -25.215 -7.196 1.00 43.35 H new ATOM 0 HD3 ARG A 31 -2.676 -25.123 -5.920 1.00 43.35 H new ATOM 0 HE ARG A 31 -5.479 -24.979 -5.010 1.00 44.14 H new ATOM 0 HH11 ARG A 31 -2.652 -26.984 -5.676 1.00 64.21 H new ATOM 0 HH12 ARG A 31 -3.195 -28.301 -4.630 1.00 64.21 H new ATOM 0 HH21 ARG A 31 -6.170 -26.672 -3.668 1.00 24.33 H new ATOM 0 HH22 ARG A 31 -5.179 -28.125 -3.498 1.00 24.33 H new ATOM 488 N ARG A 32 -2.619 -20.353 -7.482 1.00 3.35 N ATOM 489 CA ARG A 32 -1.409 -19.728 -6.960 1.00 52.42 C ATOM 490 C ARG A 32 -1.638 -18.243 -6.690 1.00 25.34 C ATOM 491 O ARG A 32 -0.820 -17.587 -6.045 1.00 45.43 O ATOM 492 CB ARG A 32 -0.252 -19.905 -7.945 1.00 74.33 C ATOM 493 CG ARG A 32 0.726 -20.998 -7.546 1.00 13.15 C ATOM 494 CD ARG A 32 2.140 -20.674 -8.002 1.00 13.02 C ATOM 495 NE ARG A 32 2.670 -19.485 -7.339 1.00 70.50 N ATOM 496 CZ ARG A 32 3.957 -19.156 -7.340 1.00 32.11 C ATOM 497 NH1 ARG A 32 4.840 -19.922 -7.966 1.00 1.33 N ATOM 498 NH2 ARG A 32 4.362 -18.058 -6.714 1.00 64.43 N ATOM 0 H ARG A 32 -2.606 -20.524 -8.487 1.00 3.35 H new ATOM 0 HA ARG A 32 -1.154 -20.217 -6.019 1.00 52.42 H new ATOM 0 HB2 ARG A 32 -0.657 -20.134 -8.931 1.00 74.33 H new ATOM 0 HB3 ARG A 32 0.287 -18.962 -8.033 1.00 74.33 H new ATOM 0 HG2 ARG A 32 0.711 -21.123 -6.463 1.00 13.15 H new ATOM 0 HG3 ARG A 32 0.411 -21.946 -7.981 1.00 13.15 H new ATOM 0 HD2 ARG A 32 2.791 -21.524 -7.797 1.00 13.02 H new ATOM 0 HD3 ARG A 32 2.147 -20.521 -9.081 1.00 13.02 H new ATOM 0 HE ARG A 32 2.016 -18.874 -6.849 1.00 70.50 H new ATOM 0 HH11 ARG A 32 4.532 -20.766 -8.448 1.00 1.33 H new ATOM 0 HH12 ARG A 32 5.828 -19.667 -7.965 1.00 1.33 H new ATOM 0 HH21 ARG A 32 3.685 -17.467 -6.232 1.00 64.43 H new ATOM 0 HH22 ARG A 32 5.350 -17.806 -6.715 1.00 64.43 H new ATOM 512 N ARG A 33 -2.754 -17.721 -7.187 1.00 31.52 N ATOM 513 CA ARG A 33 -3.089 -16.315 -7.000 1.00 51.14 C ATOM 514 C ARG A 33 -4.063 -16.137 -5.839 1.00 73.34 C ATOM 515 O ARG A 33 -3.653 -15.921 -4.700 1.00 32.11 O ATOM 516 CB ARG A 33 -3.695 -15.739 -8.281 1.00 53.14 C ATOM 517 CG ARG A 33 -2.708 -15.645 -9.433 1.00 52.44 C ATOM 518 CD ARG A 33 -1.802 -14.432 -9.293 1.00 11.52 C ATOM 519 NE ARG A 33 -0.821 -14.353 -10.372 1.00 22.44 N ATOM 520 CZ ARG A 33 0.341 -13.718 -10.264 1.00 14.31 C ATOM 521 NH1 ARG A 33 0.664 -13.108 -9.132 1.00 22.54 N ATOM 522 NH2 ARG A 33 1.181 -13.691 -11.290 1.00 43.12 N ATOM 0 H ARG A 33 -3.442 -18.251 -7.722 1.00 31.52 H new ATOM 0 HA ARG A 33 -2.170 -15.777 -6.766 1.00 51.14 H new ATOM 0 HB2 ARG A 33 -4.538 -16.360 -8.585 1.00 53.14 H new ATOM 0 HB3 ARG A 33 -4.091 -14.745 -8.071 1.00 53.14 H new ATOM 0 HG2 ARG A 33 -2.102 -16.551 -9.469 1.00 52.44 H new ATOM 0 HG3 ARG A 33 -3.252 -15.587 -10.376 1.00 52.44 H new ATOM 0 HD2 ARG A 33 -2.408 -13.526 -9.287 1.00 11.52 H new ATOM 0 HD3 ARG A 33 -1.284 -14.475 -8.335 1.00 11.52 H new ATOM 0 HE ARG A 33 -1.040 -14.810 -11.257 1.00 22.44 H new ATOM 0 HH11 ARG A 33 0.020 -13.126 -8.341 1.00 22.54 H new ATOM 0 HH12 ARG A 33 1.557 -12.621 -9.052 1.00 22.54 H new ATOM 0 HH21 ARG A 33 0.935 -14.158 -12.163 1.00 43.12 H new ATOM 0 HH22 ARG A 33 2.073 -13.203 -11.206 1.00 43.12 H new ATOM 536 N ASN A 34 -5.355 -16.230 -6.138 1.00 51.32 N ATOM 537 CA ASN A 34 -6.388 -16.078 -5.120 1.00 21.13 C ATOM 538 C ASN A 34 -7.713 -16.664 -5.597 1.00 51.25 C ATOM 539 O ASN A 34 -8.772 -16.358 -5.050 1.00 2.32 O ATOM 540 CB ASN A 34 -6.569 -14.601 -4.763 1.00 70.32 C ATOM 541 CG ASN A 34 -7.639 -14.388 -3.710 1.00 53.22 C ATOM 542 OD1 ASN A 34 -7.728 -15.138 -2.738 1.00 71.34 O ATOM 543 ND2 ASN A 34 -8.459 -13.360 -3.900 1.00 23.04 N ATOM 0 H ASN A 34 -5.711 -16.410 -7.077 1.00 51.32 H new ATOM 0 HA ASN A 34 -6.070 -16.623 -4.231 1.00 21.13 H new ATOM 0 HB2 ASN A 34 -5.623 -14.199 -4.402 1.00 70.32 H new ATOM 0 HB3 ASN A 34 -6.831 -14.042 -5.661 1.00 70.32 H new ATOM 0 HD21 ASN A 34 -9.199 -13.167 -3.225 1.00 23.04 H new ATOM 0 HD22 ASN A 34 -8.348 -12.764 -4.721 1.00 23.04 H new ATOM 550 N MET A 35 -7.646 -17.508 -6.622 1.00 3.13 N ATOM 551 CA MET A 35 -8.840 -18.138 -7.172 1.00 72.10 C ATOM 552 C MET A 35 -9.243 -19.355 -6.345 1.00 12.43 C ATOM 553 O MET A 35 -10.428 -19.666 -6.215 1.00 63.01 O ATOM 554 CB MET A 35 -8.601 -18.552 -8.625 1.00 51.44 C ATOM 555 CG MET A 35 -9.506 -17.838 -9.617 1.00 22.21 C ATOM 556 SD MET A 35 -9.324 -16.045 -9.558 1.00 32.35 S ATOM 557 CE MET A 35 -10.362 -15.554 -10.932 1.00 71.11 C ATOM 0 H MET A 35 -6.778 -17.771 -7.088 1.00 3.13 H new ATOM 0 HA MET A 35 -9.652 -17.412 -7.137 1.00 72.10 H new ATOM 0 HB2 MET A 35 -7.561 -18.352 -8.885 1.00 51.44 H new ATOM 0 HB3 MET A 35 -8.751 -19.628 -8.717 1.00 51.44 H new ATOM 0 HG2 MET A 35 -9.282 -18.189 -10.624 1.00 22.21 H new ATOM 0 HG3 MET A 35 -10.544 -18.101 -9.411 1.00 22.21 H new ATOM 0 HE1 MET A 35 -9.780 -14.954 -11.631 1.00 71.11 H new ATOM 0 HE2 MET A 35 -10.736 -16.442 -11.441 1.00 71.11 H new ATOM 0 HE3 MET A 35 -11.202 -14.967 -10.562 1.00 71.11 H new ATOM 567 N THR A 36 -8.251 -20.040 -5.786 1.00 64.42 N ATOM 568 CA THR A 36 -8.502 -21.223 -4.973 1.00 23.31 C ATOM 569 C THR A 36 -8.019 -21.019 -3.542 1.00 22.25 C ATOM 570 O THR A 36 -7.836 -21.981 -2.796 1.00 34.10 O ATOM 571 CB THR A 36 -7.812 -22.468 -5.563 1.00 5.41 C ATOM 572 OG1 THR A 36 -6.415 -22.450 -5.245 1.00 74.24 O ATOM 573 CG2 THR A 36 -7.993 -22.522 -7.072 1.00 62.43 C ATOM 0 H THR A 36 -7.265 -19.796 -5.882 1.00 64.42 H new ATOM 0 HA THR A 36 -9.580 -21.381 -4.971 1.00 23.31 H new ATOM 0 HB THR A 36 -8.273 -23.354 -5.126 1.00 5.41 H new ATOM 0 HG1 THR A 36 -6.243 -23.053 -4.492 1.00 74.24 H new ATOM 0 HG21 THR A 36 -7.498 -23.409 -7.466 1.00 62.43 H new ATOM 0 HG22 THR A 36 -9.056 -22.564 -7.310 1.00 62.43 H new ATOM 0 HG23 THR A 36 -7.555 -21.631 -7.523 1.00 62.43 H new ATOM 581 N GLN A 37 -7.815 -19.761 -3.165 1.00 24.14 N ATOM 582 CA GLN A 37 -7.353 -19.432 -1.821 1.00 63.13 C ATOM 583 C GLN A 37 -8.317 -19.968 -0.768 1.00 3.32 C ATOM 584 O GLN A 37 -7.960 -20.831 0.033 1.00 71.35 O ATOM 585 CB GLN A 37 -7.201 -17.918 -1.668 1.00 11.30 C ATOM 586 CG GLN A 37 -5.780 -17.424 -1.883 1.00 5.22 C ATOM 587 CD GLN A 37 -4.960 -17.433 -0.608 1.00 5.12 C ATOM 588 OE1 GLN A 37 -4.853 -18.457 0.068 1.00 2.30 O ATOM 589 NE2 GLN A 37 -4.374 -16.289 -0.272 1.00 33.32 N ATOM 0 H GLN A 37 -7.962 -18.953 -3.770 1.00 24.14 H new ATOM 0 HA GLN A 37 -6.382 -19.904 -1.672 1.00 63.13 H new ATOM 0 HB2 GLN A 37 -7.861 -17.421 -2.379 1.00 11.30 H new ATOM 0 HB3 GLN A 37 -7.531 -17.627 -0.671 1.00 11.30 H new ATOM 0 HG2 GLN A 37 -5.291 -18.050 -2.629 1.00 5.22 H new ATOM 0 HG3 GLN A 37 -5.808 -16.411 -2.285 1.00 5.22 H new ATOM 0 HE21 GLN A 37 -4.489 -15.465 -0.861 1.00 33.32 H new ATOM 0 HE22 GLN A 37 -3.809 -16.235 0.575 1.00 33.32 H new ATOM 598 N GLY A 38 -9.541 -19.448 -0.774 1.00 23.32 N ATOM 599 CA GLY A 38 -10.537 -19.886 0.186 1.00 31.12 C ATOM 600 C GLY A 38 -11.543 -20.845 -0.419 1.00 22.44 C ATOM 601 O GLY A 38 -11.862 -21.876 0.174 1.00 24.21 O ATOM 0 H GLY A 38 -9.860 -18.732 -1.426 1.00 23.32 H new ATOM 0 HA2 GLY A 38 -10.039 -20.369 1.027 1.00 31.12 H new ATOM 0 HA3 GLY A 38 -11.061 -19.017 0.583 1.00 31.12 H new ATOM 605 N ARG A 39 -12.045 -20.506 -1.601 1.00 52.42 N ATOM 606 CA ARG A 39 -13.023 -21.343 -2.285 1.00 70.21 C ATOM 607 C ARG A 39 -12.551 -21.690 -3.694 1.00 53.43 C ATOM 608 O ARG A 39 -11.597 -21.102 -4.203 1.00 45.41 O ATOM 609 CB ARG A 39 -14.377 -20.635 -2.349 1.00 14.32 C ATOM 610 CG ARG A 39 -14.601 -19.644 -1.218 1.00 25.45 C ATOM 611 CD ARG A 39 -15.969 -19.826 -0.580 1.00 52.01 C ATOM 612 NE ARG A 39 -16.459 -18.591 0.027 1.00 65.03 N ATOM 613 CZ ARG A 39 -17.665 -18.466 0.568 1.00 53.14 C ATOM 614 NH1 ARG A 39 -18.501 -19.495 0.577 1.00 21.25 N ATOM 615 NH2 ARG A 39 -18.038 -17.309 1.101 1.00 72.35 N ATOM 0 H ARG A 39 -11.791 -19.657 -2.106 1.00 52.42 H new ATOM 0 HA ARG A 39 -13.131 -22.268 -1.718 1.00 70.21 H new ATOM 0 HB2 ARG A 39 -14.459 -20.111 -3.301 1.00 14.32 H new ATOM 0 HB3 ARG A 39 -15.170 -21.383 -2.328 1.00 14.32 H new ATOM 0 HG2 ARG A 39 -13.826 -19.772 -0.462 1.00 25.45 H new ATOM 0 HG3 ARG A 39 -14.509 -18.627 -1.600 1.00 25.45 H new ATOM 0 HD2 ARG A 39 -16.679 -20.165 -1.335 1.00 52.01 H new ATOM 0 HD3 ARG A 39 -15.914 -20.606 0.179 1.00 52.01 H new ATOM 0 HE ARG A 39 -15.841 -17.780 0.036 1.00 65.03 H new ATOM 0 HH11 ARG A 39 -18.218 -20.385 0.168 1.00 21.25 H new ATOM 0 HH12 ARG A 39 -19.427 -19.396 0.993 1.00 21.25 H new ATOM 0 HH21 ARG A 39 -17.398 -16.515 1.095 1.00 72.35 H new ATOM 0 HH22 ARG A 39 -18.965 -17.214 1.516 1.00 72.35 H new ATOM 629 N CYS A 40 -13.226 -22.648 -4.320 1.00 35.13 N ATOM 630 CA CYS A 40 -12.877 -23.074 -5.669 1.00 71.44 C ATOM 631 C CYS A 40 -13.625 -22.248 -6.712 1.00 33.34 C ATOM 632 O CYS A 40 -14.842 -22.366 -6.857 1.00 13.44 O ATOM 633 CB CYS A 40 -13.194 -24.559 -5.856 1.00 34.41 C ATOM 634 SG CYS A 40 -11.725 -25.610 -6.094 1.00 10.42 S ATOM 0 H CYS A 40 -14.019 -23.144 -3.913 1.00 35.13 H new ATOM 0 HA CYS A 40 -11.807 -22.917 -5.806 1.00 71.44 H new ATOM 0 HB2 CYS A 40 -13.744 -24.914 -4.985 1.00 34.41 H new ATOM 0 HB3 CYS A 40 -13.852 -24.673 -6.717 1.00 34.41 H new ATOM 639 N LYS A 41 -12.889 -21.412 -7.436 1.00 21.42 N ATOM 640 CA LYS A 41 -13.480 -20.567 -8.466 1.00 72.12 C ATOM 641 C LYS A 41 -14.220 -21.408 -9.502 1.00 23.23 C ATOM 642 O LYS A 41 -13.738 -22.449 -9.950 1.00 50.21 O ATOM 643 CB LYS A 41 -12.398 -19.731 -9.152 1.00 4.40 C ATOM 644 CG LYS A 41 -12.947 -18.558 -9.945 1.00 43.35 C ATOM 645 CD LYS A 41 -13.498 -17.476 -9.032 1.00 45.50 C ATOM 646 CE LYS A 41 -12.381 -16.668 -8.388 1.00 21.43 C ATOM 647 NZ LYS A 41 -12.898 -15.742 -7.343 1.00 51.52 N ATOM 0 H LYS A 41 -11.881 -21.302 -7.328 1.00 21.42 H new ATOM 0 HA LYS A 41 -14.196 -19.900 -7.986 1.00 72.12 H new ATOM 0 HB2 LYS A 41 -11.707 -19.357 -8.397 1.00 4.40 H new ATOM 0 HB3 LYS A 41 -11.823 -20.373 -9.820 1.00 4.40 H new ATOM 0 HG2 LYS A 41 -12.159 -18.140 -10.571 1.00 43.35 H new ATOM 0 HG3 LYS A 41 -13.734 -18.906 -10.614 1.00 43.35 H new ATOM 0 HD2 LYS A 41 -14.146 -16.812 -9.603 1.00 45.50 H new ATOM 0 HD3 LYS A 41 -14.113 -17.932 -8.256 1.00 45.50 H new ATOM 0 HE2 LYS A 41 -11.652 -17.346 -7.944 1.00 21.43 H new ATOM 0 HE3 LYS A 41 -11.859 -16.095 -9.154 1.00 21.43 H new ATOM 0 HZ1 LYS A 41 -12.106 -15.210 -6.928 1.00 51.52 H new ATOM 0 HZ2 LYS A 41 -13.575 -15.078 -7.771 1.00 51.52 H new ATOM 0 HZ3 LYS A 41 -13.374 -16.290 -6.598 1.00 51.52 H new ATOM 661 N PRO A 42 -15.417 -20.948 -9.893 1.00 35.42 N ATOM 662 CA PRO A 42 -16.248 -21.643 -10.882 1.00 4.24 C ATOM 663 C PRO A 42 -15.655 -21.577 -12.285 1.00 2.11 C ATOM 664 O PRO A 42 -15.603 -22.581 -12.996 1.00 11.24 O ATOM 665 CB PRO A 42 -17.576 -20.883 -10.826 1.00 25.42 C ATOM 666 CG PRO A 42 -17.214 -19.523 -10.337 1.00 61.31 C ATOM 667 CD PRO A 42 -16.053 -19.715 -9.400 1.00 54.03 C ATOM 0 HA PRO A 42 -16.340 -22.707 -10.662 1.00 4.24 H new ATOM 0 HB2 PRO A 42 -18.048 -20.838 -11.807 1.00 25.42 H new ATOM 0 HB3 PRO A 42 -18.283 -21.370 -10.154 1.00 25.42 H new ATOM 0 HG2 PRO A 42 -16.942 -18.870 -11.166 1.00 61.31 H new ATOM 0 HG3 PRO A 42 -18.055 -19.056 -9.825 1.00 61.31 H new ATOM 0 HD2 PRO A 42 -15.367 -18.869 -9.432 1.00 54.03 H new ATOM 0 HD3 PRO A 42 -16.384 -19.819 -8.367 1.00 54.03 H new ATOM 675 N VAL A 43 -15.208 -20.388 -12.678 1.00 61.55 N ATOM 676 CA VAL A 43 -14.617 -20.192 -13.997 1.00 20.21 C ATOM 677 C VAL A 43 -13.947 -18.827 -14.101 1.00 51.31 C ATOM 678 O VAL A 43 -14.231 -17.924 -13.315 1.00 44.54 O ATOM 679 CB VAL A 43 -15.674 -20.320 -15.110 1.00 43.32 C ATOM 680 CG1 VAL A 43 -17.007 -19.750 -14.649 1.00 45.23 C ATOM 681 CG2 VAL A 43 -15.198 -19.626 -16.378 1.00 23.52 C ATOM 0 H VAL A 43 -15.244 -19.547 -12.102 1.00 61.55 H new ATOM 0 HA VAL A 43 -13.867 -20.972 -14.128 1.00 20.21 H new ATOM 0 HB VAL A 43 -15.816 -21.378 -15.333 1.00 43.32 H new ATOM 0 HG11 VAL A 43 -17.741 -19.849 -15.449 1.00 45.23 H new ATOM 0 HG12 VAL A 43 -17.351 -20.295 -13.770 1.00 45.23 H new ATOM 0 HG13 VAL A 43 -16.885 -18.696 -14.397 1.00 45.23 H new ATOM 0 HG21 VAL A 43 -15.957 -19.726 -17.154 1.00 23.52 H new ATOM 0 HG22 VAL A 43 -15.027 -18.569 -16.172 1.00 23.52 H new ATOM 0 HG23 VAL A 43 -14.269 -20.085 -16.717 1.00 23.52 H new ATOM 691 N ASN A 44 -13.057 -18.683 -15.077 1.00 63.44 N ATOM 692 CA ASN A 44 -12.346 -17.427 -15.285 1.00 25.21 C ATOM 693 C ASN A 44 -11.619 -17.429 -16.626 1.00 44.23 C ATOM 694 O ASN A 44 -11.646 -18.418 -17.359 1.00 51.05 O ATOM 695 CB ASN A 44 -11.346 -17.189 -14.151 1.00 33.40 C ATOM 696 CG ASN A 44 -11.194 -15.719 -13.813 1.00 52.23 C ATOM 697 OD1 ASN A 44 -12.139 -15.074 -13.357 1.00 24.53 O ATOM 698 ND2 ASN A 44 -10.001 -15.181 -14.037 1.00 40.13 N ATOM 0 H ASN A 44 -12.811 -19.421 -15.737 1.00 63.44 H new ATOM 0 HA ASN A 44 -13.079 -16.620 -15.290 1.00 25.21 H new ATOM 0 HB2 ASN A 44 -11.672 -17.731 -13.263 1.00 33.40 H new ATOM 0 HB3 ASN A 44 -10.375 -17.596 -14.435 1.00 33.40 H new ATOM 0 HD21 ASN A 44 -9.839 -14.195 -13.830 1.00 40.13 H new ATOM 0 HD22 ASN A 44 -9.246 -15.753 -14.416 1.00 40.13 H new ATOM 705 N THR A 45 -10.967 -16.313 -16.942 1.00 34.52 N ATOM 706 CA THR A 45 -10.233 -16.185 -18.194 1.00 75.33 C ATOM 707 C THR A 45 -8.965 -15.362 -18.006 1.00 44.42 C ATOM 708 O THR A 45 -9.022 -14.194 -17.619 1.00 61.23 O ATOM 709 CB THR A 45 -11.099 -15.532 -19.288 1.00 42.51 C ATOM 710 OG1 THR A 45 -12.393 -16.143 -19.319 1.00 54.22 O ATOM 711 CG2 THR A 45 -10.438 -15.663 -20.652 1.00 5.32 C ATOM 0 H THR A 45 -10.933 -15.485 -16.347 1.00 34.52 H new ATOM 0 HA THR A 45 -9.964 -17.194 -18.508 1.00 75.33 H new ATOM 0 HB THR A 45 -11.204 -14.473 -19.053 1.00 42.51 H new ATOM 0 HG1 THR A 45 -12.937 -15.721 -20.016 1.00 54.22 H new ATOM 0 HG21 THR A 45 -11.068 -15.195 -21.408 1.00 5.32 H new ATOM 0 HG22 THR A 45 -9.466 -15.171 -20.634 1.00 5.32 H new ATOM 0 HG23 THR A 45 -10.306 -16.718 -20.893 1.00 5.32 H new ATOM 719 N PHE A 46 -7.819 -15.976 -18.283 1.00 33.20 N ATOM 720 CA PHE A 46 -6.535 -15.299 -18.144 1.00 33.22 C ATOM 721 C PHE A 46 -6.141 -14.608 -19.446 1.00 0.13 C ATOM 722 O PHE A 46 -6.869 -14.663 -20.437 1.00 34.24 O ATOM 723 CB PHE A 46 -5.450 -16.297 -17.734 1.00 73.33 C ATOM 724 CG PHE A 46 -5.162 -16.298 -16.260 1.00 45.33 C ATOM 725 CD1 PHE A 46 -6.105 -15.838 -15.356 1.00 10.40 C ATOM 726 CD2 PHE A 46 -3.946 -16.758 -15.779 1.00 53.41 C ATOM 727 CE1 PHE A 46 -5.843 -15.837 -13.999 1.00 3.22 C ATOM 728 CE2 PHE A 46 -3.679 -16.760 -14.423 1.00 45.33 C ATOM 729 CZ PHE A 46 -4.627 -16.298 -13.532 1.00 53.41 C ATOM 0 H PHE A 46 -7.754 -16.942 -18.605 1.00 33.20 H new ATOM 0 HA PHE A 46 -6.634 -14.541 -17.367 1.00 33.22 H new ATOM 0 HB2 PHE A 46 -5.756 -17.298 -18.037 1.00 73.33 H new ATOM 0 HB3 PHE A 46 -4.532 -16.066 -18.275 1.00 73.33 H new ATOM 0 HD1 PHE A 46 -7.057 -15.476 -15.716 1.00 10.40 H new ATOM 0 HD2 PHE A 46 -3.199 -17.119 -16.471 1.00 53.41 H new ATOM 0 HE1 PHE A 46 -6.588 -15.476 -13.305 1.00 3.22 H new ATOM 0 HE2 PHE A 46 -2.729 -17.123 -14.060 1.00 45.33 H new ATOM 0 HZ PHE A 46 -4.419 -16.297 -12.472 1.00 53.41 H new ATOM 739 N VAL A 47 -4.983 -13.956 -19.435 1.00 44.12 N ATOM 740 CA VAL A 47 -4.490 -13.254 -20.614 1.00 41.32 C ATOM 741 C VAL A 47 -2.994 -13.481 -20.804 1.00 14.51 C ATOM 742 O VAL A 47 -2.236 -13.535 -19.835 1.00 42.24 O ATOM 743 CB VAL A 47 -4.761 -11.740 -20.520 1.00 64.30 C ATOM 744 CG1 VAL A 47 -4.329 -11.040 -21.799 1.00 42.23 C ATOM 745 CG2 VAL A 47 -6.231 -11.479 -20.230 1.00 21.52 C ATOM 0 H VAL A 47 -4.369 -13.899 -18.623 1.00 44.12 H new ATOM 0 HA VAL A 47 -5.027 -13.659 -21.471 1.00 41.32 H new ATOM 0 HB VAL A 47 -4.174 -11.334 -19.696 1.00 64.30 H new ATOM 0 HG11 VAL A 47 -4.528 -9.972 -21.714 1.00 42.23 H new ATOM 0 HG12 VAL A 47 -3.262 -11.199 -21.958 1.00 42.23 H new ATOM 0 HG13 VAL A 47 -4.886 -11.447 -22.643 1.00 42.23 H new ATOM 0 HG21 VAL A 47 -6.404 -10.405 -20.167 1.00 21.52 H new ATOM 0 HG22 VAL A 47 -6.840 -11.898 -21.031 1.00 21.52 H new ATOM 0 HG23 VAL A 47 -6.504 -11.947 -19.284 1.00 21.52 H new ATOM 755 N HIS A 48 -2.576 -13.612 -22.059 1.00 21.23 N ATOM 756 CA HIS A 48 -1.169 -13.832 -22.376 1.00 74.44 C ATOM 757 C HIS A 48 -0.511 -12.541 -22.853 1.00 14.24 C ATOM 758 O HIS A 48 0.661 -12.532 -23.225 1.00 24.13 O ATOM 759 CB HIS A 48 -1.030 -14.914 -23.448 1.00 20.54 C ATOM 760 CG HIS A 48 -1.257 -16.302 -22.931 1.00 11.34 C ATOM 761 ND1 HIS A 48 -0.773 -16.741 -21.717 1.00 21.23 N ATOM 762 CD2 HIS A 48 -1.923 -17.349 -23.470 1.00 32.41 C ATOM 763 CE1 HIS A 48 -1.130 -18.000 -21.532 1.00 43.34 C ATOM 764 NE2 HIS A 48 -1.829 -18.392 -22.582 1.00 31.53 N ATOM 0 H HIS A 48 -3.190 -13.570 -22.872 1.00 21.23 H new ATOM 0 HA HIS A 48 -0.665 -14.162 -21.468 1.00 74.44 H new ATOM 0 HB2 HIS A 48 -1.741 -14.713 -24.250 1.00 20.54 H new ATOM 0 HB3 HIS A 48 -0.033 -14.856 -23.884 1.00 20.54 H new ATOM 0 HD2 HIS A 48 -2.434 -17.362 -24.422 1.00 32.41 H new ATOM 0 HE1 HIS A 48 -0.891 -18.605 -20.670 1.00 43.34 H new ATOM 0 HE2 HIS A 48 -2.233 -19.319 -22.712 1.00 31.53 H new ATOM 772 N GLU A 49 -1.275 -11.453 -22.838 1.00 52.14 N ATOM 773 CA GLU A 49 -0.766 -10.157 -23.271 1.00 4.13 C ATOM 774 C GLU A 49 -0.595 -9.215 -22.082 1.00 75.11 C ATOM 775 O GLU A 49 -1.237 -9.365 -21.042 1.00 55.02 O ATOM 776 CB GLU A 49 -1.708 -9.531 -24.300 1.00 54.15 C ATOM 777 CG GLU A 49 -1.199 -9.626 -25.729 1.00 0.41 C ATOM 778 CD GLU A 49 -0.852 -11.046 -26.131 1.00 41.25 C ATOM 779 OE1 GLU A 49 -0.258 -11.769 -25.305 1.00 62.00 O ATOM 780 OE2 GLU A 49 -1.175 -11.434 -27.274 1.00 11.32 O ATOM 0 H GLU A 49 -2.248 -11.443 -22.531 1.00 52.14 H new ATOM 0 HA GLU A 49 0.209 -10.314 -23.732 1.00 4.13 H new ATOM 0 HB2 GLU A 49 -2.680 -10.021 -24.236 1.00 54.15 H new ATOM 0 HB3 GLU A 49 -1.863 -8.482 -24.047 1.00 54.15 H new ATOM 0 HG2 GLU A 49 -1.957 -9.235 -26.408 1.00 0.41 H new ATOM 0 HG3 GLU A 49 -0.317 -8.995 -25.839 1.00 0.41 H new ATOM 787 N PRO A 50 0.291 -8.221 -22.238 1.00 11.42 N ATOM 788 CA PRO A 50 0.567 -7.235 -21.189 1.00 10.33 C ATOM 789 C PRO A 50 -0.605 -6.286 -20.962 1.00 31.12 C ATOM 790 O PRO A 50 -1.630 -6.376 -21.640 1.00 2.54 O ATOM 791 CB PRO A 50 1.777 -6.470 -21.730 1.00 40.44 C ATOM 792 CG PRO A 50 1.692 -6.624 -23.210 1.00 34.03 C ATOM 793 CD PRO A 50 1.092 -7.982 -23.450 1.00 54.33 C ATOM 0 HA PRO A 50 0.742 -7.707 -20.222 1.00 10.33 H new ATOM 0 HB2 PRO A 50 1.744 -5.420 -21.439 1.00 40.44 H new ATOM 0 HB3 PRO A 50 2.710 -6.879 -21.342 1.00 40.44 H new ATOM 0 HG2 PRO A 50 1.074 -5.841 -23.649 1.00 34.03 H new ATOM 0 HG3 PRO A 50 2.678 -6.546 -23.668 1.00 34.03 H new ATOM 0 HD2 PRO A 50 0.475 -7.995 -24.348 1.00 54.33 H new ATOM 0 HD3 PRO A 50 1.861 -8.744 -23.580 1.00 54.33 H new ATOM 801 N LEU A 51 -0.448 -5.378 -20.005 1.00 52.44 N ATOM 802 CA LEU A 51 -1.494 -4.411 -19.689 1.00 51.03 C ATOM 803 C LEU A 51 -1.612 -3.358 -20.787 1.00 32.14 C ATOM 804 O LEU A 51 -2.629 -3.275 -21.475 1.00 74.01 O ATOM 805 CB LEU A 51 -1.203 -3.736 -18.348 1.00 14.31 C ATOM 806 CG LEU A 51 -2.356 -2.941 -17.732 1.00 60.45 C ATOM 807 CD1 LEU A 51 -3.339 -3.875 -17.043 1.00 54.45 C ATOM 808 CD2 LEU A 51 -1.826 -1.905 -16.753 1.00 1.52 C ATOM 0 H LEU A 51 0.393 -5.291 -19.435 1.00 52.44 H new ATOM 0 HA LEU A 51 -2.441 -4.946 -19.621 1.00 51.03 H new ATOM 0 HB2 LEU A 51 -0.896 -4.503 -17.637 1.00 14.31 H new ATOM 0 HB3 LEU A 51 -0.354 -3.065 -18.479 1.00 14.31 H new ATOM 0 HG LEU A 51 -2.881 -2.420 -18.532 1.00 60.45 H new ATOM 0 HD11 LEU A 51 -4.152 -3.292 -16.611 1.00 54.45 H new ATOM 0 HD12 LEU A 51 -3.743 -4.579 -17.771 1.00 54.45 H new ATOM 0 HD13 LEU A 51 -2.826 -4.424 -16.253 1.00 54.45 H new ATOM 0 HD21 LEU A 51 -2.660 -1.349 -16.325 1.00 1.52 H new ATOM 0 HD22 LEU A 51 -1.276 -2.405 -15.956 1.00 1.52 H new ATOM 0 HD23 LEU A 51 -1.162 -1.217 -17.276 1.00 1.52 H new ATOM 820 N VAL A 52 -0.564 -2.556 -20.946 1.00 21.34 N ATOM 821 CA VAL A 52 -0.548 -1.511 -21.962 1.00 13.45 C ATOM 822 C VAL A 52 -1.352 -1.925 -23.189 1.00 65.22 C ATOM 823 O VAL A 52 -2.015 -1.100 -23.817 1.00 51.03 O ATOM 824 CB VAL A 52 0.890 -1.170 -22.394 1.00 1.41 C ATOM 825 CG1 VAL A 52 1.438 -2.244 -23.320 1.00 65.32 C ATOM 826 CG2 VAL A 52 0.935 0.196 -23.063 1.00 3.14 C ATOM 0 H VAL A 52 0.285 -2.610 -20.384 1.00 21.34 H new ATOM 0 HA VAL A 52 -1.003 -0.628 -21.515 1.00 13.45 H new ATOM 0 HB VAL A 52 1.520 -1.135 -21.505 1.00 1.41 H new ATOM 0 HG11 VAL A 52 2.455 -1.986 -23.615 1.00 65.32 H new ATOM 0 HG12 VAL A 52 1.443 -3.203 -22.802 1.00 65.32 H new ATOM 0 HG13 VAL A 52 0.810 -2.314 -24.208 1.00 65.32 H new ATOM 0 HG21 VAL A 52 1.959 0.421 -23.362 1.00 3.14 H new ATOM 0 HG22 VAL A 52 0.293 0.191 -23.943 1.00 3.14 H new ATOM 0 HG23 VAL A 52 0.586 0.955 -22.363 1.00 3.14 H new ATOM 836 N ASP A 53 -1.287 -3.209 -23.526 1.00 12.35 N ATOM 837 CA ASP A 53 -2.010 -3.734 -24.678 1.00 31.31 C ATOM 838 C ASP A 53 -3.515 -3.563 -24.499 1.00 54.15 C ATOM 839 O ASP A 53 -4.186 -2.960 -25.338 1.00 21.13 O ATOM 840 CB ASP A 53 -1.674 -5.212 -24.887 1.00 43.54 C ATOM 841 CG ASP A 53 -1.524 -5.569 -26.353 1.00 40.11 C ATOM 842 OD1 ASP A 53 -0.553 -5.098 -26.983 1.00 33.52 O ATOM 843 OD2 ASP A 53 -2.377 -6.320 -26.870 1.00 50.23 O ATOM 0 H ASP A 53 -0.741 -3.905 -23.018 1.00 12.35 H new ATOM 0 HA ASP A 53 -1.700 -3.170 -25.558 1.00 31.31 H new ATOM 0 HB2 ASP A 53 -0.749 -5.449 -24.362 1.00 43.54 H new ATOM 0 HB3 ASP A 53 -2.458 -5.826 -24.445 1.00 43.54 H new ATOM 848 N VAL A 54 -4.041 -4.098 -23.402 1.00 61.31 N ATOM 849 CA VAL A 54 -5.467 -4.005 -23.113 1.00 40.23 C ATOM 850 C VAL A 54 -5.894 -2.554 -22.918 1.00 72.42 C ATOM 851 O VAL A 54 -6.979 -2.155 -23.340 1.00 34.34 O ATOM 852 CB VAL A 54 -5.839 -4.812 -21.855 1.00 40.23 C ATOM 853 CG1 VAL A 54 -7.314 -4.639 -21.527 1.00 31.22 C ATOM 854 CG2 VAL A 54 -5.495 -6.281 -22.044 1.00 62.44 C ATOM 0 H VAL A 54 -3.500 -4.601 -22.698 1.00 61.31 H new ATOM 0 HA VAL A 54 -5.992 -4.423 -23.972 1.00 40.23 H new ATOM 0 HB VAL A 54 -5.258 -4.432 -21.015 1.00 40.23 H new ATOM 0 HG11 VAL A 54 -7.559 -5.216 -20.635 1.00 31.22 H new ATOM 0 HG12 VAL A 54 -7.525 -3.585 -21.346 1.00 31.22 H new ATOM 0 HG13 VAL A 54 -7.917 -4.991 -22.364 1.00 31.22 H new ATOM 0 HG21 VAL A 54 -5.764 -6.836 -21.146 1.00 62.44 H new ATOM 0 HG22 VAL A 54 -6.048 -6.678 -22.895 1.00 62.44 H new ATOM 0 HG23 VAL A 54 -4.425 -6.384 -22.227 1.00 62.44 H new ATOM 864 N GLN A 55 -5.033 -1.771 -22.277 1.00 52.21 N ATOM 865 CA GLN A 55 -5.322 -0.364 -22.026 1.00 12.20 C ATOM 866 C GLN A 55 -5.738 0.344 -23.311 1.00 44.43 C ATOM 867 O GLN A 55 -6.646 1.174 -23.308 1.00 43.13 O ATOM 868 CB GLN A 55 -4.101 0.329 -21.420 1.00 3.23 C ATOM 869 CG GLN A 55 -3.518 -0.403 -20.222 1.00 11.14 C ATOM 870 CD GLN A 55 -2.426 0.388 -19.529 1.00 64.12 C ATOM 871 OE1 GLN A 55 -2.467 1.618 -19.485 1.00 24.34 O ATOM 872 NE2 GLN A 55 -1.440 -0.316 -18.984 1.00 11.40 N ATOM 0 H GLN A 55 -4.130 -2.086 -21.922 1.00 52.21 H new ATOM 0 HA GLN A 55 -6.150 -0.310 -21.319 1.00 12.20 H new ATOM 0 HB2 GLN A 55 -3.331 0.426 -22.186 1.00 3.23 H new ATOM 0 HB3 GLN A 55 -4.379 1.339 -21.118 1.00 3.23 H new ATOM 0 HG2 GLN A 55 -4.314 -0.617 -19.509 1.00 11.14 H new ATOM 0 HG3 GLN A 55 -3.116 -1.362 -20.548 1.00 11.14 H new ATOM 0 HE21 GLN A 55 -1.446 -1.334 -19.044 1.00 11.40 H new ATOM 0 HE22 GLN A 55 -0.676 0.162 -18.505 1.00 11.40 H new ATOM 881 N ASN A 56 -5.066 0.011 -24.409 1.00 22.25 N ATOM 882 CA ASN A 56 -5.365 0.616 -25.701 1.00 60.24 C ATOM 883 C ASN A 56 -6.852 0.503 -26.024 1.00 0.55 C ATOM 884 O ASN A 56 -7.457 1.438 -26.549 1.00 2.21 O ATOM 885 CB ASN A 56 -4.541 -0.053 -26.804 1.00 1.34 C ATOM 886 CG ASN A 56 -3.154 0.548 -26.934 1.00 35.21 C ATOM 887 OD1 ASN A 56 -3.000 1.695 -27.352 1.00 43.25 O ATOM 888 ND2 ASN A 56 -2.138 -0.228 -26.575 1.00 41.41 N ATOM 0 H ASN A 56 -4.311 -0.675 -24.429 1.00 22.25 H new ATOM 0 HA ASN A 56 -5.101 1.672 -25.649 1.00 60.24 H new ATOM 0 HB2 ASN A 56 -4.454 -1.119 -26.593 1.00 1.34 H new ATOM 0 HB3 ASN A 56 -5.066 0.042 -27.755 1.00 1.34 H new ATOM 0 HD21 ASN A 56 -1.182 0.121 -26.640 1.00 41.41 H new ATOM 0 HD22 ASN A 56 -2.314 -1.173 -26.234 1.00 41.41 H new ATOM 895 N VAL A 57 -7.436 -0.647 -25.704 1.00 62.33 N ATOM 896 CA VAL A 57 -8.852 -0.882 -25.958 1.00 33.13 C ATOM 897 C VAL A 57 -9.706 0.252 -25.400 1.00 64.50 C ATOM 898 O VAL A 57 -10.632 0.727 -26.057 1.00 41.42 O ATOM 899 CB VAL A 57 -9.320 -2.213 -25.340 1.00 62.53 C ATOM 900 CG1 VAL A 57 -10.801 -2.435 -25.607 1.00 1.01 C ATOM 901 CG2 VAL A 57 -8.493 -3.370 -25.881 1.00 74.43 C ATOM 0 H VAL A 57 -6.950 -1.431 -25.268 1.00 62.33 H new ATOM 0 HA VAL A 57 -8.976 -0.929 -27.040 1.00 33.13 H new ATOM 0 HB VAL A 57 -9.174 -2.164 -24.261 1.00 62.53 H new ATOM 0 HG11 VAL A 57 -11.113 -3.380 -25.163 1.00 1.01 H new ATOM 0 HG12 VAL A 57 -11.376 -1.620 -25.167 1.00 1.01 H new ATOM 0 HG13 VAL A 57 -10.976 -2.464 -26.682 1.00 1.01 H new ATOM 0 HG21 VAL A 57 -8.837 -4.303 -25.434 1.00 74.43 H new ATOM 0 HG22 VAL A 57 -8.606 -3.423 -26.964 1.00 74.43 H new ATOM 0 HG23 VAL A 57 -7.443 -3.214 -25.633 1.00 74.43 H new ATOM 911 N CYS A 58 -9.387 0.681 -24.183 1.00 73.15 N ATOM 912 CA CYS A 58 -10.124 1.759 -23.536 1.00 0.25 C ATOM 913 C CYS A 58 -10.072 3.034 -24.373 1.00 72.55 C ATOM 914 O CYS A 58 -10.878 3.945 -24.187 1.00 53.30 O ATOM 915 CB CYS A 58 -9.554 2.029 -22.142 1.00 22.14 C ATOM 916 SG CYS A 58 -10.820 2.272 -20.855 1.00 1.14 S ATOM 0 H CYS A 58 -8.623 0.298 -23.626 1.00 73.15 H new ATOM 0 HA CYS A 58 -11.165 1.448 -23.443 1.00 0.25 H new ATOM 0 HB2 CYS A 58 -8.915 1.194 -21.855 1.00 22.14 H new ATOM 0 HB3 CYS A 58 -8.921 2.915 -22.186 1.00 22.14 H new ATOM 921 N PHE A 59 -9.119 3.089 -25.297 1.00 44.13 N ATOM 922 CA PHE A 59 -8.960 4.251 -26.164 1.00 15.31 C ATOM 923 C PHE A 59 -9.388 3.927 -27.592 1.00 71.22 C ATOM 924 O PHE A 59 -9.292 4.768 -28.485 1.00 54.13 O ATOM 925 CB PHE A 59 -7.507 4.730 -26.151 1.00 32.22 C ATOM 926 CG PHE A 59 -6.914 4.806 -24.773 1.00 43.31 C ATOM 927 CD1 PHE A 59 -7.553 5.513 -23.767 1.00 73.42 C ATOM 928 CD2 PHE A 59 -5.717 4.172 -24.484 1.00 24.51 C ATOM 929 CE1 PHE A 59 -7.009 5.585 -22.499 1.00 2.20 C ATOM 930 CE2 PHE A 59 -5.167 4.240 -23.217 1.00 54.33 C ATOM 931 CZ PHE A 59 -5.815 4.947 -22.223 1.00 51.33 C ATOM 0 H PHE A 59 -8.445 2.342 -25.465 1.00 44.13 H new ATOM 0 HA PHE A 59 -9.600 5.047 -25.783 1.00 15.31 H new ATOM 0 HB2 PHE A 59 -6.905 4.056 -26.760 1.00 32.22 H new ATOM 0 HB3 PHE A 59 -7.453 5.714 -26.616 1.00 32.22 H new ATOM 0 HD1 PHE A 59 -8.487 6.013 -23.976 1.00 73.42 H new ATOM 0 HD2 PHE A 59 -5.207 3.618 -25.258 1.00 24.51 H new ATOM 0 HE1 PHE A 59 -7.517 6.140 -21.724 1.00 2.20 H new ATOM 0 HE2 PHE A 59 -4.233 3.741 -23.005 1.00 54.33 H new ATOM 0 HZ PHE A 59 -5.389 5.001 -21.232 1.00 51.33 H new ATOM 941 N GLN A 60 -9.859 2.701 -27.799 1.00 0.23 N ATOM 942 CA GLN A 60 -10.300 2.265 -29.118 1.00 41.03 C ATOM 943 C GLN A 60 -11.815 2.378 -29.251 1.00 10.30 C ATOM 944 O GLN A 60 -12.320 3.206 -30.009 1.00 34.42 O ATOM 945 CB GLN A 60 -9.860 0.823 -29.375 1.00 60.32 C ATOM 946 CG GLN A 60 -8.378 0.685 -29.687 1.00 35.23 C ATOM 947 CD GLN A 60 -8.116 0.367 -31.145 1.00 60.45 C ATOM 948 OE1 GLN A 60 -8.438 1.157 -32.033 1.00 32.00 O ATOM 949 NE2 GLN A 60 -7.528 -0.796 -31.402 1.00 4.05 N ATOM 0 H GLN A 60 -9.945 1.993 -27.070 1.00 0.23 H new ATOM 0 HA GLN A 60 -9.839 2.916 -29.861 1.00 41.03 H new ATOM 0 HB2 GLN A 60 -10.096 0.218 -28.499 1.00 60.32 H new ATOM 0 HB3 GLN A 60 -10.437 0.419 -30.207 1.00 60.32 H new ATOM 0 HG2 GLN A 60 -7.867 1.611 -29.424 1.00 35.23 H new ATOM 0 HG3 GLN A 60 -7.951 -0.102 -29.065 1.00 35.23 H new ATOM 0 HE21 GLN A 60 -7.278 -1.421 -30.636 1.00 4.05 H new ATOM 0 HE22 GLN A 60 -7.327 -1.064 -32.365 1.00 4.05 H new ATOM 958 N GLU A 61 -12.533 1.541 -28.509 1.00 54.12 N ATOM 959 CA GLU A 61 -13.991 1.548 -28.546 1.00 31.41 C ATOM 960 C GLU A 61 -14.571 1.488 -27.136 1.00 12.53 C ATOM 961 O GLU A 61 -13.835 1.406 -26.152 1.00 14.40 O ATOM 962 CB GLU A 61 -14.508 0.368 -29.372 1.00 21.44 C ATOM 963 CG GLU A 61 -15.844 0.634 -30.045 1.00 4.40 C ATOM 964 CD GLU A 61 -15.932 0.022 -31.429 1.00 62.52 C ATOM 965 OE1 GLU A 61 -15.365 0.609 -32.374 1.00 62.35 O ATOM 966 OE2 GLU A 61 -16.568 -1.044 -31.567 1.00 64.24 O ATOM 0 H GLU A 61 -12.130 0.850 -27.876 1.00 54.12 H new ATOM 0 HA GLU A 61 -14.313 2.479 -29.014 1.00 31.41 H new ATOM 0 HB2 GLU A 61 -13.770 0.118 -30.134 1.00 21.44 H new ATOM 0 HB3 GLU A 61 -14.604 -0.503 -28.724 1.00 21.44 H new ATOM 0 HG2 GLU A 61 -16.645 0.235 -29.424 1.00 4.40 H new ATOM 0 HG3 GLU A 61 -16.003 1.710 -30.117 1.00 4.40 H new ATOM 973 N LYS A 62 -15.896 1.531 -27.045 1.00 51.41 N ATOM 974 CA LYS A 62 -16.577 1.482 -25.757 1.00 14.10 C ATOM 975 C LYS A 62 -17.764 0.524 -25.805 1.00 44.22 C ATOM 976 O LYS A 62 -18.283 0.218 -26.878 1.00 75.41 O ATOM 977 CB LYS A 62 -17.053 2.880 -25.354 1.00 71.15 C ATOM 978 CG LYS A 62 -15.927 3.806 -24.928 1.00 34.13 C ATOM 979 CD LYS A 62 -16.347 5.265 -25.002 1.00 22.51 C ATOM 980 CE LYS A 62 -16.273 5.794 -26.426 1.00 34.21 C ATOM 981 NZ LYS A 62 -16.149 7.277 -26.460 1.00 44.45 N ATOM 0 H LYS A 62 -16.520 1.600 -27.849 1.00 51.41 H new ATOM 0 HA LYS A 62 -15.868 1.118 -25.014 1.00 14.10 H new ATOM 0 HB2 LYS A 62 -17.584 3.330 -26.193 1.00 71.15 H new ATOM 0 HB3 LYS A 62 -17.767 2.790 -24.536 1.00 71.15 H new ATOM 0 HG2 LYS A 62 -15.622 3.565 -23.910 1.00 34.13 H new ATOM 0 HG3 LYS A 62 -15.059 3.643 -25.567 1.00 34.13 H new ATOM 0 HD2 LYS A 62 -17.364 5.372 -24.625 1.00 22.51 H new ATOM 0 HD3 LYS A 62 -15.704 5.863 -24.356 1.00 22.51 H new ATOM 0 HE2 LYS A 62 -15.420 5.346 -26.936 1.00 34.21 H new ATOM 0 HE3 LYS A 62 -17.166 5.491 -26.973 1.00 34.21 H new ATOM 0 HZ1 LYS A 62 -16.101 7.599 -27.448 1.00 44.45 H new ATOM 0 HZ2 LYS A 62 -16.975 7.705 -25.996 1.00 44.45 H new ATOM 0 HZ3 LYS A 62 -15.283 7.565 -25.960 1.00 44.45 H new ATOM 995 N VAL A 63 -18.188 0.056 -24.636 1.00 20.32 N ATOM 996 CA VAL A 63 -19.315 -0.865 -24.545 1.00 23.23 C ATOM 997 C VAL A 63 -20.165 -0.573 -23.313 1.00 61.34 C ATOM 998 O VAL A 63 -19.849 0.317 -22.523 1.00 51.02 O ATOM 999 CB VAL A 63 -18.840 -2.330 -24.492 1.00 0.51 C ATOM 1000 CG1 VAL A 63 -17.725 -2.566 -25.499 1.00 70.21 C ATOM 1001 CG2 VAL A 63 -18.385 -2.691 -23.086 1.00 32.30 C ATOM 0 H VAL A 63 -17.768 0.299 -23.739 1.00 20.32 H new ATOM 0 HA VAL A 63 -19.917 -0.718 -25.442 1.00 23.23 H new ATOM 0 HB VAL A 63 -19.678 -2.976 -24.755 1.00 0.51 H new ATOM 0 HG11 VAL A 63 -17.402 -3.606 -25.447 1.00 70.21 H new ATOM 0 HG12 VAL A 63 -18.089 -2.349 -26.503 1.00 70.21 H new ATOM 0 HG13 VAL A 63 -16.883 -1.913 -25.269 1.00 70.21 H new ATOM 0 HG21 VAL A 63 -18.053 -3.729 -23.066 1.00 32.30 H new ATOM 0 HG22 VAL A 63 -17.561 -2.041 -22.792 1.00 32.30 H new ATOM 0 HG23 VAL A 63 -19.215 -2.562 -22.391 1.00 32.30 H new ATOM 1011 N THR A 64 -21.247 -1.330 -23.155 1.00 5.23 N ATOM 1012 CA THR A 64 -22.144 -1.153 -22.020 1.00 5.51 C ATOM 1013 C THR A 64 -21.869 -2.187 -20.935 1.00 24.32 C ATOM 1014 O THR A 64 -21.079 -3.112 -21.130 1.00 1.31 O ATOM 1015 CB THR A 64 -23.619 -1.255 -22.449 1.00 14.10 C ATOM 1016 OG1 THR A 64 -23.764 -0.834 -23.810 1.00 72.41 O ATOM 1017 CG2 THR A 64 -24.504 -0.402 -21.552 1.00 50.24 C ATOM 0 H THR A 64 -21.523 -2.071 -23.799 1.00 5.23 H new ATOM 0 HA THR A 64 -21.957 -0.155 -21.622 1.00 5.51 H new ATOM 0 HB THR A 64 -23.930 -2.296 -22.356 1.00 14.10 H new ATOM 0 HG1 THR A 64 -24.705 -0.904 -24.075 1.00 72.41 H new ATOM 0 HG21 THR A 64 -25.541 -0.490 -21.875 1.00 50.24 H new ATOM 0 HG22 THR A 64 -24.414 -0.744 -20.521 1.00 50.24 H new ATOM 0 HG23 THR A 64 -24.191 0.640 -21.617 1.00 50.24 H new ATOM 1025 N CYS A 65 -22.525 -2.027 -19.791 1.00 34.01 N ATOM 1026 CA CYS A 65 -22.352 -2.948 -18.674 1.00 14.43 C ATOM 1027 C CYS A 65 -23.688 -3.233 -17.992 1.00 44.12 C ATOM 1028 O CYS A 65 -24.666 -2.512 -18.191 1.00 4.24 O ATOM 1029 CB CYS A 65 -21.362 -2.371 -17.659 1.00 74.34 C ATOM 1030 SG CYS A 65 -19.650 -2.954 -17.878 1.00 52.41 S ATOM 0 H CYS A 65 -23.182 -1.267 -19.613 1.00 34.01 H new ATOM 0 HA CYS A 65 -21.956 -3.885 -19.066 1.00 14.43 H new ATOM 0 HB2 CYS A 65 -21.376 -1.283 -17.731 1.00 74.34 H new ATOM 0 HB3 CYS A 65 -21.697 -2.628 -16.654 1.00 74.34 H new ATOM 1035 N LYS A 66 -23.721 -4.290 -17.187 1.00 42.35 N ATOM 1036 CA LYS A 66 -24.934 -4.671 -16.475 1.00 30.35 C ATOM 1037 C LYS A 66 -25.643 -3.444 -15.911 1.00 4.24 C ATOM 1038 O LYS A 66 -26.848 -3.274 -16.090 1.00 64.15 O ATOM 1039 CB LYS A 66 -24.600 -5.645 -15.343 1.00 20.45 C ATOM 1040 CG LYS A 66 -25.542 -6.834 -15.265 1.00 74.10 C ATOM 1041 CD LYS A 66 -25.678 -7.346 -13.841 1.00 14.12 C ATOM 1042 CE LYS A 66 -24.604 -8.371 -13.512 1.00 1.22 C ATOM 1043 NZ LYS A 66 -25.125 -9.764 -13.585 1.00 11.13 N ATOM 0 H LYS A 66 -22.921 -4.898 -17.012 1.00 42.35 H new ATOM 0 HA LYS A 66 -25.602 -5.161 -17.183 1.00 30.35 H new ATOM 0 HB2 LYS A 66 -23.581 -6.008 -15.476 1.00 20.45 H new ATOM 0 HB3 LYS A 66 -24.626 -5.109 -14.394 1.00 20.45 H new ATOM 0 HG2 LYS A 66 -26.523 -6.548 -15.645 1.00 74.10 H new ATOM 0 HG3 LYS A 66 -25.173 -7.634 -15.907 1.00 74.10 H new ATOM 0 HD2 LYS A 66 -25.610 -6.510 -13.145 1.00 14.12 H new ATOM 0 HD3 LYS A 66 -26.663 -7.794 -13.707 1.00 14.12 H new ATOM 0 HE2 LYS A 66 -23.770 -8.258 -14.205 1.00 1.22 H new ATOM 0 HE3 LYS A 66 -24.215 -8.181 -12.512 1.00 1.22 H new ATOM 0 HZ1 LYS A 66 -24.362 -10.432 -13.354 1.00 11.13 H new ATOM 0 HZ2 LYS A 66 -25.904 -9.879 -12.906 1.00 11.13 H new ATOM 0 HZ3 LYS A 66 -25.473 -9.955 -14.546 1.00 11.13 H new ATOM 1057 N ASN A 67 -24.885 -2.590 -15.229 1.00 35.21 N ATOM 1058 CA ASN A 67 -25.442 -1.378 -14.640 1.00 5.53 C ATOM 1059 C ASN A 67 -25.906 -0.410 -15.724 1.00 15.24 C ATOM 1060 O ASN A 67 -26.810 0.396 -15.505 1.00 41.11 O ATOM 1061 CB ASN A 67 -24.403 -0.698 -13.745 1.00 11.12 C ATOM 1062 CG ASN A 67 -23.066 -0.525 -14.439 1.00 51.22 C ATOM 1063 OD1 ASN A 67 -23.002 -0.074 -15.583 1.00 1.00 O ATOM 1064 ND2 ASN A 67 -21.990 -0.884 -13.749 1.00 11.44 N ATOM 0 H ASN A 67 -23.885 -2.715 -15.071 1.00 35.21 H new ATOM 0 HA ASN A 67 -26.304 -1.660 -14.036 1.00 5.53 H new ATOM 0 HB2 ASN A 67 -24.777 0.278 -13.435 1.00 11.12 H new ATOM 0 HB3 ASN A 67 -24.265 -1.289 -12.839 1.00 11.12 H new ATOM 0 HD21 ASN A 67 -21.063 -0.791 -14.164 1.00 11.44 H new ATOM 0 HD22 ASN A 67 -22.090 -1.253 -12.803 1.00 11.44 H new ATOM 1071 N GLY A 68 -25.282 -0.496 -16.894 1.00 61.33 N ATOM 1072 CA GLY A 68 -25.645 0.377 -17.995 1.00 74.53 C ATOM 1073 C GLY A 68 -24.751 1.597 -18.087 1.00 62.34 C ATOM 1074 O GLY A 68 -25.180 2.655 -18.546 1.00 70.11 O ATOM 0 H GLY A 68 -24.531 -1.155 -17.100 1.00 61.33 H new ATOM 0 HA2 GLY A 68 -25.591 -0.181 -18.930 1.00 74.53 H new ATOM 0 HA3 GLY A 68 -26.680 0.697 -17.875 1.00 74.53 H new ATOM 1078 N GLN A 69 -23.505 1.450 -17.649 1.00 22.43 N ATOM 1079 CA GLN A 69 -22.549 2.550 -17.682 1.00 2.12 C ATOM 1080 C GLN A 69 -21.445 2.282 -18.699 1.00 24.41 C ATOM 1081 O GLN A 69 -21.137 1.131 -19.007 1.00 72.12 O ATOM 1082 CB GLN A 69 -21.940 2.766 -16.295 1.00 41.43 C ATOM 1083 CG GLN A 69 -22.965 3.117 -15.229 1.00 3.42 C ATOM 1084 CD GLN A 69 -23.476 4.539 -15.357 1.00 34.35 C ATOM 1085 OE1 GLN A 69 -22.695 5.487 -15.444 1.00 73.52 O ATOM 1086 NE2 GLN A 69 -24.795 4.695 -15.368 1.00 31.41 N ATOM 0 H GLN A 69 -23.134 0.580 -17.267 1.00 22.43 H new ATOM 0 HA GLN A 69 -23.082 3.452 -17.982 1.00 2.12 H new ATOM 0 HB2 GLN A 69 -21.411 1.862 -15.995 1.00 41.43 H new ATOM 0 HB3 GLN A 69 -21.200 3.564 -16.352 1.00 41.43 H new ATOM 0 HG2 GLN A 69 -23.805 2.426 -15.296 1.00 3.42 H new ATOM 0 HG3 GLN A 69 -22.519 2.982 -14.243 1.00 3.42 H new ATOM 0 HE21 GLN A 69 -25.405 3.881 -15.293 1.00 31.41 H new ATOM 0 HE22 GLN A 69 -25.197 5.629 -15.451 1.00 31.41 H new ATOM 1095 N GLY A 70 -20.851 3.352 -19.218 1.00 10.55 N ATOM 1096 CA GLY A 70 -19.788 3.211 -20.195 1.00 23.21 C ATOM 1097 C GLY A 70 -18.426 3.042 -19.550 1.00 73.22 C ATOM 1098 O GLY A 70 -17.455 3.677 -19.959 1.00 55.10 O ATOM 0 H GLY A 70 -21.088 4.315 -18.979 1.00 10.55 H new ATOM 0 HA2 GLY A 70 -19.995 2.350 -20.831 1.00 23.21 H new ATOM 0 HA3 GLY A 70 -19.774 4.089 -20.841 1.00 23.21 H new ATOM 1102 N ASN A 71 -18.355 2.184 -18.538 1.00 31.42 N ATOM 1103 CA ASN A 71 -17.103 1.935 -17.833 1.00 64.34 C ATOM 1104 C ASN A 71 -16.367 0.742 -18.437 1.00 2.22 C ATOM 1105 O ASN A 71 -15.223 0.458 -18.078 1.00 54.05 O ATOM 1106 CB ASN A 71 -17.370 1.685 -16.348 1.00 22.13 C ATOM 1107 CG ASN A 71 -16.093 1.465 -15.560 1.00 0.04 C ATOM 1108 OD1 ASN A 71 -15.616 2.363 -14.866 1.00 10.30 O ATOM 1109 ND2 ASN A 71 -15.533 0.265 -15.663 1.00 40.45 N ATOM 0 H ASN A 71 -19.150 1.649 -18.188 1.00 31.42 H new ATOM 0 HA ASN A 71 -16.474 2.819 -17.938 1.00 64.34 H new ATOM 0 HB2 ASN A 71 -17.909 2.535 -15.930 1.00 22.13 H new ATOM 0 HB3 ASN A 71 -18.015 0.813 -16.239 1.00 22.13 H new ATOM 0 HD21 ASN A 71 -14.673 0.058 -15.155 1.00 40.45 H new ATOM 0 HD22 ASN A 71 -15.963 -0.450 -16.250 1.00 40.45 H new ATOM 1116 N CYS A 72 -17.030 0.048 -19.355 1.00 70.22 N ATOM 1117 CA CYS A 72 -16.441 -1.114 -20.010 1.00 24.05 C ATOM 1118 C CYS A 72 -16.084 -0.799 -21.460 1.00 32.15 C ATOM 1119 O CYS A 72 -16.441 0.257 -21.982 1.00 73.24 O ATOM 1120 CB CYS A 72 -17.406 -2.300 -19.956 1.00 43.11 C ATOM 1121 SG CYS A 72 -19.129 -1.840 -19.584 1.00 63.12 S ATOM 0 H CYS A 72 -17.977 0.270 -19.663 1.00 70.22 H new ATOM 0 HA CYS A 72 -15.526 -1.375 -19.478 1.00 24.05 H new ATOM 0 HB2 CYS A 72 -17.379 -2.821 -20.913 1.00 43.11 H new ATOM 0 HB3 CYS A 72 -17.058 -3.004 -19.200 1.00 43.11 H new ATOM 1126 N TYR A 73 -15.378 -1.722 -22.103 1.00 74.31 N ATOM 1127 CA TYR A 73 -14.972 -1.543 -23.492 1.00 4.03 C ATOM 1128 C TYR A 73 -14.587 -2.877 -24.123 1.00 71.44 C ATOM 1129 O TYR A 73 -14.297 -3.849 -23.424 1.00 41.55 O ATOM 1130 CB TYR A 73 -13.797 -0.567 -23.579 1.00 62.30 C ATOM 1131 CG TYR A 73 -13.873 0.563 -22.578 1.00 0.21 C ATOM 1132 CD1 TYR A 73 -13.605 0.345 -21.232 1.00 43.43 C ATOM 1133 CD2 TYR A 73 -14.212 1.850 -22.978 1.00 74.12 C ATOM 1134 CE1 TYR A 73 -13.674 1.375 -20.314 1.00 41.23 C ATOM 1135 CE2 TYR A 73 -14.283 2.886 -22.067 1.00 45.24 C ATOM 1136 CZ TYR A 73 -14.013 2.644 -20.737 1.00 21.24 C ATOM 1137 OH TYR A 73 -14.082 3.673 -19.825 1.00 65.34 O ATOM 0 H TYR A 73 -15.075 -2.602 -21.685 1.00 74.31 H new ATOM 0 HA TYR A 73 -15.819 -1.133 -24.042 1.00 4.03 H new ATOM 0 HB2 TYR A 73 -12.868 -1.116 -23.425 1.00 62.30 H new ATOM 0 HB3 TYR A 73 -13.757 -0.148 -24.585 1.00 62.30 H new ATOM 0 HD1 TYR A 73 -13.338 -0.647 -20.898 1.00 43.43 H new ATOM 0 HD2 TYR A 73 -14.424 2.044 -24.019 1.00 74.12 H new ATOM 0 HE1 TYR A 73 -13.464 1.188 -19.271 1.00 41.23 H new ATOM 0 HE2 TYR A 73 -14.549 3.880 -22.395 1.00 45.24 H new ATOM 0 HH TYR A 73 -13.181 3.889 -19.507 1.00 65.34 H new ATOM 1147 N LYS A 74 -14.587 -2.917 -25.452 1.00 24.45 N ATOM 1148 CA LYS A 74 -14.236 -4.130 -26.181 1.00 32.42 C ATOM 1149 C LYS A 74 -12.964 -3.926 -26.998 1.00 15.21 C ATOM 1150 O LYS A 74 -12.786 -2.889 -27.636 1.00 43.33 O ATOM 1151 CB LYS A 74 -15.385 -4.546 -27.102 1.00 34.32 C ATOM 1152 CG LYS A 74 -16.267 -5.637 -26.519 1.00 74.13 C ATOM 1153 CD LYS A 74 -17.462 -5.925 -27.413 1.00 63.45 C ATOM 1154 CE LYS A 74 -18.130 -7.241 -27.044 1.00 64.12 C ATOM 1155 NZ LYS A 74 -19.133 -7.658 -28.062 1.00 74.30 N ATOM 0 H LYS A 74 -14.826 -2.123 -26.046 1.00 24.45 H new ATOM 0 HA LYS A 74 -14.056 -4.922 -25.454 1.00 32.42 H new ATOM 0 HB2 LYS A 74 -15.999 -3.672 -27.321 1.00 34.32 H new ATOM 0 HB3 LYS A 74 -14.973 -4.891 -28.050 1.00 34.32 H new ATOM 0 HG2 LYS A 74 -15.682 -6.547 -26.387 1.00 74.13 H new ATOM 0 HG3 LYS A 74 -16.615 -5.336 -25.531 1.00 74.13 H new ATOM 0 HD2 LYS A 74 -18.184 -5.113 -27.329 1.00 63.45 H new ATOM 0 HD3 LYS A 74 -17.139 -5.959 -28.454 1.00 63.45 H new ATOM 0 HE2 LYS A 74 -17.372 -8.017 -26.942 1.00 64.12 H new ATOM 0 HE3 LYS A 74 -18.617 -7.142 -26.074 1.00 64.12 H new ATOM 0 HZ1 LYS A 74 -19.566 -8.559 -27.774 1.00 74.30 H new ATOM 0 HZ2 LYS A 74 -19.871 -6.929 -28.141 1.00 74.30 H new ATOM 0 HZ3 LYS A 74 -18.664 -7.778 -28.983 1.00 74.30 H new ATOM 1169 N SER A 75 -12.085 -4.922 -26.974 1.00 43.23 N ATOM 1170 CA SER A 75 -10.828 -4.850 -27.711 1.00 54.32 C ATOM 1171 C SER A 75 -11.084 -4.664 -29.204 1.00 31.22 C ATOM 1172 O SER A 75 -11.882 -5.385 -29.802 1.00 41.41 O ATOM 1173 CB SER A 75 -10.002 -6.116 -27.477 1.00 50.22 C ATOM 1174 OG SER A 75 -8.763 -6.050 -28.162 1.00 52.10 O ATOM 0 H SER A 75 -12.219 -5.788 -26.453 1.00 43.23 H new ATOM 0 HA SER A 75 -10.270 -3.988 -27.346 1.00 54.32 H new ATOM 0 HB2 SER A 75 -9.824 -6.246 -26.409 1.00 50.22 H new ATOM 0 HB3 SER A 75 -10.562 -6.987 -27.816 1.00 50.22 H new ATOM 0 HG SER A 75 -8.526 -6.940 -28.496 1.00 52.10 H new ATOM 1180 N ASN A 76 -10.400 -3.692 -29.799 1.00 32.15 N ATOM 1181 CA ASN A 76 -10.553 -3.410 -31.221 1.00 63.33 C ATOM 1182 C ASN A 76 -9.739 -4.390 -32.060 1.00 64.54 C ATOM 1183 O ASN A 76 -9.576 -4.205 -33.266 1.00 44.13 O ATOM 1184 CB ASN A 76 -10.118 -1.976 -31.528 1.00 1.32 C ATOM 1185 CG ASN A 76 -11.210 -1.174 -32.210 1.00 3.24 C ATOM 1186 OD1 ASN A 76 -11.275 -1.112 -33.437 1.00 72.24 O ATOM 1187 ND2 ASN A 76 -12.073 -0.554 -31.414 1.00 34.34 N ATOM 0 H ASN A 76 -9.735 -3.087 -29.318 1.00 32.15 H new ATOM 0 HA ASN A 76 -11.606 -3.526 -31.477 1.00 63.33 H new ATOM 0 HB2 ASN A 76 -9.832 -1.480 -30.601 1.00 1.32 H new ATOM 0 HB3 ASN A 76 -9.234 -1.996 -32.165 1.00 1.32 H new ATOM 0 HD21 ASN A 76 -12.828 0.002 -31.815 1.00 34.34 H new ATOM 0 HD22 ASN A 76 -11.981 -0.633 -30.401 1.00 34.34 H new ATOM 1194 N SER A 77 -9.230 -5.434 -31.414 1.00 32.54 N ATOM 1195 CA SER A 77 -8.430 -6.443 -32.099 1.00 54.10 C ATOM 1196 C SER A 77 -8.255 -7.682 -31.227 1.00 24.14 C ATOM 1197 O SER A 77 -8.602 -7.678 -30.046 1.00 0.33 O ATOM 1198 CB SER A 77 -7.062 -5.871 -32.474 1.00 2.33 C ATOM 1199 OG SER A 77 -6.889 -5.840 -33.880 1.00 34.51 O ATOM 0 H SER A 77 -9.357 -5.603 -30.416 1.00 32.54 H new ATOM 0 HA SER A 77 -8.956 -6.732 -33.009 1.00 54.10 H new ATOM 0 HB2 SER A 77 -6.963 -4.863 -32.070 1.00 2.33 H new ATOM 0 HB3 SER A 77 -6.276 -6.475 -32.021 1.00 2.33 H new ATOM 0 HG SER A 77 -6.007 -5.469 -34.093 1.00 34.51 H new ATOM 1205 N SER A 78 -7.713 -8.742 -31.818 1.00 24.14 N ATOM 1206 CA SER A 78 -7.494 -9.991 -31.097 1.00 5.43 C ATOM 1207 C SER A 78 -6.438 -9.812 -30.009 1.00 55.12 C ATOM 1208 O SER A 78 -5.684 -8.840 -30.015 1.00 41.21 O ATOM 1209 CB SER A 78 -7.063 -11.094 -32.065 1.00 23.24 C ATOM 1210 OG SER A 78 -5.792 -10.813 -32.625 1.00 61.52 O ATOM 0 H SER A 78 -7.417 -8.761 -32.794 1.00 24.14 H new ATOM 0 HA SER A 78 -8.433 -10.279 -30.624 1.00 5.43 H new ATOM 0 HB2 SER A 78 -7.030 -12.049 -31.541 1.00 23.24 H new ATOM 0 HB3 SER A 78 -7.801 -11.192 -32.861 1.00 23.24 H new ATOM 0 HG SER A 78 -5.538 -11.534 -33.239 1.00 61.52 H new ATOM 1216 N MET A 79 -6.393 -10.758 -29.077 1.00 1.22 N ATOM 1217 CA MET A 79 -5.430 -10.706 -27.983 1.00 21.22 C ATOM 1218 C MET A 79 -5.203 -12.094 -27.392 1.00 62.25 C ATOM 1219 O MET A 79 -6.153 -12.789 -27.031 1.00 71.22 O ATOM 1220 CB MET A 79 -5.915 -9.749 -26.893 1.00 11.33 C ATOM 1221 CG MET A 79 -4.917 -8.652 -26.558 1.00 64.52 C ATOM 1222 SD MET A 79 -5.370 -7.728 -25.078 1.00 21.10 S ATOM 1223 CE MET A 79 -5.425 -6.059 -25.725 1.00 4.31 C ATOM 0 H MET A 79 -7.011 -11.569 -29.057 1.00 1.22 H new ATOM 0 HA MET A 79 -4.484 -10.341 -28.383 1.00 21.22 H new ATOM 0 HB2 MET A 79 -6.851 -9.292 -27.213 1.00 11.33 H new ATOM 0 HB3 MET A 79 -6.131 -10.320 -25.990 1.00 11.33 H new ATOM 0 HG2 MET A 79 -3.931 -9.094 -26.418 1.00 64.52 H new ATOM 0 HG3 MET A 79 -4.841 -7.965 -27.401 1.00 64.52 H new ATOM 0 HE1 MET A 79 -6.282 -5.534 -25.304 1.00 4.31 H new ATOM 0 HE2 MET A 79 -4.509 -5.534 -25.455 1.00 4.31 H new ATOM 0 HE3 MET A 79 -5.517 -6.092 -26.811 1.00 4.31 H new ATOM 1233 N HIS A 80 -3.938 -12.492 -27.298 1.00 31.54 N ATOM 1234 CA HIS A 80 -3.587 -13.798 -26.751 1.00 22.25 C ATOM 1235 C HIS A 80 -4.089 -13.940 -25.317 1.00 11.42 C ATOM 1236 O HIS A 80 -3.741 -13.142 -24.446 1.00 15.52 O ATOM 1237 CB HIS A 80 -2.072 -14.003 -26.795 1.00 52.51 C ATOM 1238 CG HIS A 80 -1.486 -13.844 -28.164 1.00 75.24 C ATOM 1239 ND1 HIS A 80 -0.132 -13.729 -28.395 1.00 1.22 N ATOM 1240 CD2 HIS A 80 -2.080 -13.784 -29.380 1.00 23.15 C ATOM 1241 CE1 HIS A 80 0.083 -13.603 -29.692 1.00 53.32 C ATOM 1242 NE2 HIS A 80 -1.083 -13.634 -30.312 1.00 52.32 N ATOM 0 H HIS A 80 -3.140 -11.930 -27.593 1.00 31.54 H new ATOM 0 HA HIS A 80 -4.068 -14.561 -27.363 1.00 22.25 H new ATOM 0 HB2 HIS A 80 -1.597 -13.290 -26.121 1.00 52.51 H new ATOM 0 HB3 HIS A 80 -1.837 -15.000 -26.422 1.00 52.51 H new ATOM 0 HD2 HIS A 80 -3.140 -13.843 -29.579 1.00 23.15 H new ATOM 0 HE1 HIS A 80 1.048 -13.493 -30.165 1.00 53.32 H new ATOM 0 HE2 HIS A 80 -1.220 -13.559 -31.320 1.00 52.32 H new ATOM 1250 N ILE A 81 -4.908 -14.958 -25.080 1.00 34.41 N ATOM 1251 CA ILE A 81 -5.458 -15.204 -23.752 1.00 44.42 C ATOM 1252 C ILE A 81 -5.652 -16.696 -23.504 1.00 44.34 C ATOM 1253 O ILE A 81 -5.394 -17.521 -24.381 1.00 74.24 O ATOM 1254 CB ILE A 81 -6.805 -14.483 -23.559 1.00 20.15 C ATOM 1255 CG1 ILE A 81 -7.810 -14.941 -24.617 1.00 70.33 C ATOM 1256 CG2 ILE A 81 -6.613 -12.975 -23.620 1.00 61.12 C ATOM 1257 CD1 ILE A 81 -8.582 -16.181 -24.222 1.00 4.23 C ATOM 0 H ILE A 81 -5.206 -15.627 -25.790 1.00 34.41 H new ATOM 0 HA ILE A 81 -4.738 -14.810 -23.034 1.00 44.42 H new ATOM 0 HB ILE A 81 -7.199 -14.739 -22.576 1.00 20.15 H new ATOM 0 HG12 ILE A 81 -8.514 -14.132 -24.812 1.00 70.33 H new ATOM 0 HG13 ILE A 81 -7.280 -15.135 -25.550 1.00 70.33 H new ATOM 0 HG21 ILE A 81 -7.574 -12.480 -23.482 1.00 61.12 H new ATOM 0 HG22 ILE A 81 -5.928 -12.663 -22.832 1.00 61.12 H new ATOM 0 HG23 ILE A 81 -6.199 -12.700 -24.590 1.00 61.12 H new ATOM 0 HD11 ILE A 81 -9.276 -16.447 -25.020 1.00 4.23 H new ATOM 0 HD12 ILE A 81 -7.887 -17.004 -24.055 1.00 4.23 H new ATOM 0 HD13 ILE A 81 -9.140 -15.986 -23.306 1.00 4.23 H new ATOM 1269 N THR A 82 -6.109 -17.036 -22.303 1.00 71.14 N ATOM 1270 CA THR A 82 -6.339 -18.429 -21.940 1.00 3.55 C ATOM 1271 C THR A 82 -7.588 -18.573 -21.078 1.00 52.13 C ATOM 1272 O THR A 82 -7.738 -17.890 -20.065 1.00 43.42 O ATOM 1273 CB THR A 82 -5.135 -19.017 -21.180 1.00 3.42 C ATOM 1274 OG1 THR A 82 -4.101 -19.375 -22.103 1.00 64.40 O ATOM 1275 CG2 THR A 82 -5.548 -20.238 -20.373 1.00 60.54 C ATOM 0 H THR A 82 -6.327 -16.366 -21.565 1.00 71.14 H new ATOM 0 HA THR A 82 -6.477 -18.980 -22.870 1.00 3.55 H new ATOM 0 HB THR A 82 -4.761 -18.258 -20.493 1.00 3.42 H new ATOM 0 HG1 THR A 82 -3.421 -18.670 -22.122 1.00 64.40 H new ATOM 0 HG21 THR A 82 -4.681 -20.636 -19.845 1.00 60.54 H new ATOM 0 HG22 THR A 82 -6.314 -19.955 -19.651 1.00 60.54 H new ATOM 0 HG23 THR A 82 -5.945 -21.000 -21.044 1.00 60.54 H new ATOM 1283 N ASP A 83 -8.483 -19.466 -21.487 1.00 24.11 N ATOM 1284 CA ASP A 83 -9.719 -19.701 -20.751 1.00 74.40 C ATOM 1285 C ASP A 83 -9.510 -20.741 -19.655 1.00 31.23 C ATOM 1286 O ASP A 83 -8.909 -21.791 -19.886 1.00 41.31 O ATOM 1287 CB ASP A 83 -10.825 -20.161 -21.703 1.00 23.20 C ATOM 1288 CG ASP A 83 -11.639 -19.004 -22.247 1.00 12.14 C ATOM 1289 OD1 ASP A 83 -11.031 -18.021 -22.720 1.00 21.43 O ATOM 1290 OD2 ASP A 83 -12.885 -19.080 -22.198 1.00 60.22 O ATOM 0 H ASP A 83 -8.375 -20.039 -22.324 1.00 24.11 H new ATOM 0 HA ASP A 83 -10.019 -18.763 -20.284 1.00 74.40 H new ATOM 0 HB2 ASP A 83 -10.381 -20.711 -22.533 1.00 23.20 H new ATOM 0 HB3 ASP A 83 -11.486 -20.852 -21.180 1.00 23.20 H new ATOM 1295 N CYS A 84 -10.009 -20.442 -18.460 1.00 20.41 N ATOM 1296 CA CYS A 84 -9.876 -21.350 -17.326 1.00 41.44 C ATOM 1297 C CYS A 84 -11.221 -21.558 -16.636 1.00 24.12 C ATOM 1298 O CYS A 84 -11.678 -20.705 -15.875 1.00 21.44 O ATOM 1299 CB CYS A 84 -8.856 -20.803 -16.326 1.00 4.01 C ATOM 1300 SG CYS A 84 -7.607 -19.701 -17.064 1.00 62.33 S ATOM 0 H CYS A 84 -10.509 -19.578 -18.252 1.00 20.41 H new ATOM 0 HA CYS A 84 -9.527 -22.312 -17.701 1.00 41.44 H new ATOM 0 HB2 CYS A 84 -9.386 -20.261 -15.543 1.00 4.01 H new ATOM 0 HB3 CYS A 84 -8.348 -21.640 -15.847 1.00 4.01 H new ATOM 1305 N ARG A 85 -11.848 -22.698 -16.907 1.00 53.30 N ATOM 1306 CA ARG A 85 -13.141 -23.018 -16.313 1.00 63.21 C ATOM 1307 C ARG A 85 -13.092 -24.367 -15.602 1.00 35.23 C ATOM 1308 O ARG A 85 -12.430 -25.299 -16.059 1.00 64.21 O ATOM 1309 CB ARG A 85 -14.230 -23.035 -17.387 1.00 44.34 C ATOM 1310 CG ARG A 85 -15.525 -23.685 -16.931 1.00 74.22 C ATOM 1311 CD ARG A 85 -16.643 -23.467 -17.939 1.00 11.10 C ATOM 1312 NE ARG A 85 -17.962 -23.536 -17.317 1.00 35.44 N ATOM 1313 CZ ARG A 85 -19.067 -23.059 -17.880 1.00 3.24 C ATOM 1314 NH1 ARG A 85 -19.010 -22.480 -19.071 1.00 74.43 N ATOM 1315 NH2 ARG A 85 -20.231 -23.160 -17.251 1.00 3.35 N ATOM 0 H ARG A 85 -11.482 -23.415 -17.533 1.00 53.30 H new ATOM 0 HA ARG A 85 -13.377 -22.247 -15.579 1.00 63.21 H new ATOM 0 HB2 ARG A 85 -14.437 -22.011 -17.698 1.00 44.34 H new ATOM 0 HB3 ARG A 85 -13.856 -23.565 -18.263 1.00 44.34 H new ATOM 0 HG2 ARG A 85 -15.366 -24.754 -16.788 1.00 74.22 H new ATOM 0 HG3 ARG A 85 -15.819 -23.274 -15.965 1.00 74.22 H new ATOM 0 HD2 ARG A 85 -16.517 -22.495 -18.415 1.00 11.10 H new ATOM 0 HD3 ARG A 85 -16.573 -24.218 -18.726 1.00 11.10 H new ATOM 0 HE ARG A 85 -18.040 -23.975 -16.399 1.00 35.44 H new ATOM 0 HH11 ARG A 85 -18.117 -22.400 -19.557 1.00 74.43 H new ATOM 0 HH12 ARG A 85 -19.859 -22.114 -19.502 1.00 74.43 H new ATOM 0 HH21 ARG A 85 -20.278 -23.604 -16.334 1.00 3.35 H new ATOM 0 HH22 ARG A 85 -21.078 -22.793 -17.684 1.00 3.35 H new ATOM 1329 N LEU A 86 -13.798 -24.464 -14.480 1.00 73.35 N ATOM 1330 CA LEU A 86 -13.836 -25.699 -13.705 1.00 31.23 C ATOM 1331 C LEU A 86 -14.232 -26.882 -14.583 1.00 14.13 C ATOM 1332 O LEU A 86 -15.055 -26.749 -15.489 1.00 52.43 O ATOM 1333 CB LEU A 86 -14.818 -25.563 -12.539 1.00 43.25 C ATOM 1334 CG LEU A 86 -14.196 -25.348 -11.159 1.00 45.44 C ATOM 1335 CD1 LEU A 86 -15.239 -25.534 -10.069 1.00 23.14 C ATOM 1336 CD2 LEU A 86 -13.025 -26.297 -10.948 1.00 41.32 C ATOM 0 H LEU A 86 -14.351 -23.702 -14.087 1.00 73.35 H new ATOM 0 HA LEU A 86 -12.836 -25.882 -13.311 1.00 31.23 H new ATOM 0 HB2 LEU A 86 -15.486 -24.728 -12.748 1.00 43.25 H new ATOM 0 HB3 LEU A 86 -15.434 -26.462 -12.502 1.00 43.25 H new ATOM 0 HG LEU A 86 -13.823 -24.325 -11.105 1.00 45.44 H new ATOM 0 HD11 LEU A 86 -14.778 -25.377 -9.094 1.00 23.14 H new ATOM 0 HD12 LEU A 86 -16.045 -24.814 -10.210 1.00 23.14 H new ATOM 0 HD13 LEU A 86 -15.643 -26.545 -10.121 1.00 23.14 H new ATOM 0 HD21 LEU A 86 -12.595 -26.130 -9.961 1.00 41.32 H new ATOM 0 HD22 LEU A 86 -13.374 -27.327 -11.022 1.00 41.32 H new ATOM 0 HD23 LEU A 86 -12.267 -26.115 -11.710 1.00 41.32 H new ATOM 1348 N THR A 87 -13.643 -28.041 -14.306 1.00 71.25 N ATOM 1349 CA THR A 87 -13.935 -29.248 -15.070 1.00 0.12 C ATOM 1350 C THR A 87 -14.982 -30.103 -14.366 1.00 73.55 C ATOM 1351 O THR A 87 -15.119 -30.055 -13.145 1.00 5.12 O ATOM 1352 CB THR A 87 -12.666 -30.091 -15.294 1.00 62.51 C ATOM 1353 OG1 THR A 87 -11.530 -29.427 -14.729 1.00 61.32 O ATOM 1354 CG2 THR A 87 -12.432 -30.334 -16.778 1.00 11.43 C ATOM 0 H THR A 87 -12.961 -28.169 -13.558 1.00 71.25 H new ATOM 0 HA THR A 87 -14.323 -28.925 -16.036 1.00 0.12 H new ATOM 0 HB THR A 87 -12.805 -31.054 -14.802 1.00 62.51 H new ATOM 0 HG1 THR A 87 -11.601 -29.432 -13.752 1.00 61.32 H new ATOM 0 HG21 THR A 87 -11.530 -30.932 -16.911 1.00 11.43 H new ATOM 0 HG22 THR A 87 -13.285 -30.866 -17.199 1.00 11.43 H new ATOM 0 HG23 THR A 87 -12.313 -29.378 -17.289 1.00 11.43 H new ATOM 1362 N ASN A 88 -15.720 -30.887 -15.146 1.00 71.41 N ATOM 1363 CA ASN A 88 -16.756 -31.755 -14.597 1.00 0.42 C ATOM 1364 C ASN A 88 -16.201 -32.617 -13.467 1.00 50.21 C ATOM 1365 O ASN A 88 -15.499 -33.598 -13.708 1.00 42.32 O ATOM 1366 CB ASN A 88 -17.339 -32.646 -15.695 1.00 22.50 C ATOM 1367 CG ASN A 88 -18.712 -33.181 -15.337 1.00 52.05 C ATOM 1368 OD1 ASN A 88 -18.837 -34.215 -14.680 1.00 44.52 O ATOM 1369 ND2 ASN A 88 -19.752 -32.477 -15.770 1.00 61.23 N ATOM 0 H ASN A 88 -15.620 -30.939 -16.160 1.00 71.41 H new ATOM 0 HA ASN A 88 -17.547 -31.124 -14.193 1.00 0.42 H new ATOM 0 HB2 ASN A 88 -17.404 -32.079 -16.623 1.00 22.50 H new ATOM 0 HB3 ASN A 88 -16.663 -33.481 -15.879 1.00 22.50 H new ATOM 0 HD21 ASN A 88 -20.701 -32.788 -15.561 1.00 61.23 H new ATOM 0 HD22 ASN A 88 -19.602 -31.626 -16.311 1.00 61.23 H new ATOM 1376 N GLY A 89 -16.522 -32.243 -12.232 1.00 73.30 N ATOM 1377 CA GLY A 89 -16.048 -32.993 -11.083 1.00 53.24 C ATOM 1378 C GLY A 89 -14.822 -32.367 -10.449 1.00 21.51 C ATOM 1379 O GLY A 89 -13.815 -33.041 -10.232 1.00 62.31 O ATOM 0 H GLY A 89 -17.102 -31.434 -12.007 1.00 73.30 H new ATOM 0 HA2 GLY A 89 -16.844 -33.058 -10.341 1.00 53.24 H new ATOM 0 HA3 GLY A 89 -15.814 -34.013 -11.389 1.00 53.24 H new ATOM 1383 N SER A 90 -14.905 -31.075 -10.152 1.00 13.43 N ATOM 1384 CA SER A 90 -13.791 -30.357 -9.543 1.00 54.34 C ATOM 1385 C SER A 90 -14.288 -29.389 -8.473 1.00 71.51 C ATOM 1386 O SER A 90 -14.949 -28.396 -8.777 1.00 32.40 O ATOM 1387 CB SER A 90 -13.005 -29.594 -10.611 1.00 1.40 C ATOM 1388 OG SER A 90 -12.632 -30.448 -11.678 1.00 22.42 O ATOM 0 H SER A 90 -15.732 -30.503 -10.323 1.00 13.43 H new ATOM 0 HA SER A 90 -13.135 -31.088 -9.070 1.00 54.34 H new ATOM 0 HB2 SER A 90 -13.610 -28.772 -10.994 1.00 1.40 H new ATOM 0 HB3 SER A 90 -12.113 -29.153 -10.165 1.00 1.40 H new ATOM 0 HG SER A 90 -13.348 -30.468 -12.347 1.00 22.42 H new ATOM 1394 N ARG A 91 -13.965 -29.688 -7.219 1.00 44.40 N ATOM 1395 CA ARG A 91 -14.378 -28.846 -6.103 1.00 33.24 C ATOM 1396 C ARG A 91 -13.237 -28.664 -5.107 1.00 25.22 C ATOM 1397 O ARG A 91 -12.320 -29.484 -5.041 1.00 41.42 O ATOM 1398 CB ARG A 91 -15.591 -29.457 -5.398 1.00 52.11 C ATOM 1399 CG ARG A 91 -16.900 -28.754 -5.719 1.00 41.33 C ATOM 1400 CD ARG A 91 -16.806 -27.258 -5.464 1.00 2.44 C ATOM 1401 NE ARG A 91 -17.754 -26.816 -4.445 1.00 55.30 N ATOM 1402 CZ ARG A 91 -17.598 -25.710 -3.725 1.00 60.31 C ATOM 1403 NH1 ARG A 91 -16.536 -24.939 -3.912 1.00 11.44 N ATOM 1404 NH2 ARG A 91 -18.505 -25.375 -2.817 1.00 11.32 N ATOM 0 H ARG A 91 -13.419 -30.507 -6.951 1.00 44.40 H new ATOM 0 HA ARG A 91 -14.650 -27.868 -6.500 1.00 33.24 H new ATOM 0 HB2 ARG A 91 -15.674 -30.507 -5.680 1.00 52.11 H new ATOM 0 HB3 ARG A 91 -15.427 -29.428 -4.321 1.00 52.11 H new ATOM 0 HG2 ARG A 91 -17.163 -28.931 -6.762 1.00 41.33 H new ATOM 0 HG3 ARG A 91 -17.700 -29.178 -5.112 1.00 41.33 H new ATOM 0 HD2 ARG A 91 -15.793 -27.007 -5.150 1.00 2.44 H new ATOM 0 HD3 ARG A 91 -16.995 -26.719 -6.393 1.00 2.44 H new ATOM 0 HE ARG A 91 -18.582 -27.388 -4.277 1.00 55.30 H new ATOM 0 HH11 ARG A 91 -15.837 -25.194 -4.609 1.00 11.44 H new ATOM 0 HH12 ARG A 91 -16.418 -24.090 -3.358 1.00 11.44 H new ATOM 0 HH21 ARG A 91 -19.323 -25.967 -2.671 1.00 11.32 H new ATOM 0 HH22 ARG A 91 -18.384 -24.526 -2.265 1.00 11.32 H new ATOM 1418 N TYR A 92 -13.299 -27.585 -4.334 1.00 62.43 N ATOM 1419 CA TYR A 92 -12.269 -27.294 -3.344 1.00 30.10 C ATOM 1420 C TYR A 92 -12.029 -28.497 -2.437 1.00 61.55 C ATOM 1421 O TYR A 92 -12.961 -29.163 -1.986 1.00 71.10 O ATOM 1422 CB TYR A 92 -12.669 -26.080 -2.504 1.00 21.24 C ATOM 1423 CG TYR A 92 -11.521 -25.476 -1.727 1.00 64.41 C ATOM 1424 CD1 TYR A 92 -10.957 -26.147 -0.648 1.00 71.14 C ATOM 1425 CD2 TYR A 92 -11.000 -24.235 -2.071 1.00 63.22 C ATOM 1426 CE1 TYR A 92 -9.908 -25.599 0.064 1.00 33.15 C ATOM 1427 CE2 TYR A 92 -9.950 -23.680 -1.365 1.00 71.40 C ATOM 1428 CZ TYR A 92 -9.408 -24.366 -0.298 1.00 0.10 C ATOM 1429 OH TYR A 92 -8.363 -23.816 0.409 1.00 53.10 O ATOM 0 H TYR A 92 -14.052 -26.898 -4.374 1.00 62.43 H new ATOM 0 HA TYR A 92 -11.343 -27.072 -3.875 1.00 30.10 H new ATOM 0 HB2 TYR A 92 -13.093 -25.319 -3.159 1.00 21.24 H new ATOM 0 HB3 TYR A 92 -13.454 -26.374 -1.807 1.00 21.24 H new ATOM 0 HD1 TYR A 92 -11.346 -27.113 -0.362 1.00 71.14 H new ATOM 0 HD2 TYR A 92 -11.423 -23.695 -2.905 1.00 63.22 H new ATOM 0 HE1 TYR A 92 -9.482 -26.133 0.900 1.00 33.15 H new ATOM 0 HE2 TYR A 92 -9.556 -22.715 -1.647 1.00 71.40 H new ATOM 0 HH TYR A 92 -8.312 -22.855 0.224 1.00 53.10 H new ATOM 1439 N PRO A 93 -10.748 -28.784 -2.163 1.00 64.04 N ATOM 1440 CA PRO A 93 -9.630 -27.999 -2.696 1.00 24.34 C ATOM 1441 C PRO A 93 -9.453 -28.188 -4.198 1.00 45.23 C ATOM 1442 O PRO A 93 -8.875 -27.339 -4.876 1.00 11.21 O ATOM 1443 CB PRO A 93 -8.418 -28.551 -1.941 1.00 23.41 C ATOM 1444 CG PRO A 93 -8.809 -29.937 -1.559 1.00 25.31 C ATOM 1445 CD PRO A 93 -10.291 -29.897 -1.313 1.00 55.43 C ATOM 0 HA PRO A 93 -9.783 -26.928 -2.561 1.00 24.34 H new ATOM 0 HB2 PRO A 93 -7.527 -28.550 -2.568 1.00 23.41 H new ATOM 0 HB3 PRO A 93 -8.190 -27.947 -1.062 1.00 23.41 H new ATOM 0 HG2 PRO A 93 -8.564 -30.644 -2.352 1.00 25.31 H new ATOM 0 HG3 PRO A 93 -8.274 -30.261 -0.666 1.00 25.31 H new ATOM 0 HD2 PRO A 93 -10.770 -30.836 -1.589 1.00 55.43 H new ATOM 0 HD3 PRO A 93 -10.519 -29.720 -0.262 1.00 55.43 H new ATOM 1453 N ASN A 94 -9.954 -29.306 -4.713 1.00 24.11 N ATOM 1454 CA ASN A 94 -9.850 -29.606 -6.136 1.00 53.35 C ATOM 1455 C ASN A 94 -10.452 -28.482 -6.974 1.00 54.40 C ATOM 1456 O ASN A 94 -11.664 -28.260 -6.957 1.00 64.23 O ATOM 1457 CB ASN A 94 -10.555 -30.926 -6.453 1.00 62.44 C ATOM 1458 CG ASN A 94 -10.679 -31.822 -5.236 1.00 11.01 C ATOM 1459 OD1 ASN A 94 -11.776 -32.246 -4.873 1.00 74.30 O ATOM 1460 ND2 ASN A 94 -9.551 -32.114 -4.598 1.00 52.54 N ATOM 0 H ASN A 94 -10.436 -30.019 -4.166 1.00 24.11 H new ATOM 0 HA ASN A 94 -8.793 -29.697 -6.386 1.00 53.35 H new ATOM 0 HB2 ASN A 94 -11.548 -30.718 -6.850 1.00 62.44 H new ATOM 0 HB3 ASN A 94 -10.003 -31.451 -7.233 1.00 62.44 H new ATOM 0 HD21 ASN A 94 -9.572 -32.712 -3.772 1.00 52.54 H new ATOM 0 HD22 ASN A 94 -8.663 -31.740 -4.934 1.00 52.54 H new ATOM 1467 N CYS A 95 -9.598 -27.775 -7.707 1.00 15.54 N ATOM 1468 CA CYS A 95 -10.044 -26.673 -8.551 1.00 74.13 C ATOM 1469 C CYS A 95 -9.739 -26.956 -10.020 1.00 13.34 C ATOM 1470 O CYS A 95 -9.728 -26.046 -10.848 1.00 5.20 O ATOM 1471 CB CYS A 95 -9.371 -25.368 -8.121 1.00 74.22 C ATOM 1472 SG CYS A 95 -10.069 -24.636 -6.606 1.00 53.12 S ATOM 0 H CYS A 95 -8.593 -27.946 -7.733 1.00 15.54 H new ATOM 0 HA CYS A 95 -11.123 -26.572 -8.434 1.00 74.13 H new ATOM 0 HB2 CYS A 95 -8.308 -25.554 -7.966 1.00 74.22 H new ATOM 0 HB3 CYS A 95 -9.453 -24.645 -8.932 1.00 74.22 H new ATOM 1477 N ALA A 96 -9.493 -28.223 -10.334 1.00 33.43 N ATOM 1478 CA ALA A 96 -9.191 -28.627 -11.701 1.00 44.33 C ATOM 1479 C ALA A 96 -9.932 -27.753 -12.708 1.00 22.41 C ATOM 1480 O ALA A 96 -11.127 -27.936 -12.941 1.00 40.31 O ATOM 1481 CB ALA A 96 -9.544 -30.092 -11.910 1.00 2.11 C ATOM 0 H ALA A 96 -9.497 -28.988 -9.659 1.00 33.43 H new ATOM 0 HA ALA A 96 -8.121 -28.497 -11.864 1.00 44.33 H new ATOM 0 HB1 ALA A 96 -9.313 -30.379 -12.936 1.00 2.11 H new ATOM 0 HB2 ALA A 96 -8.965 -30.708 -11.222 1.00 2.11 H new ATOM 0 HB3 ALA A 96 -10.607 -30.240 -11.723 1.00 2.11 H new ATOM 1487 N TYR A 97 -9.216 -26.805 -13.301 1.00 1.41 N ATOM 1488 CA TYR A 97 -9.807 -25.901 -14.280 1.00 40.34 C ATOM 1489 C TYR A 97 -9.524 -26.377 -15.702 1.00 21.21 C ATOM 1490 O TYR A 97 -8.774 -27.331 -15.911 1.00 45.50 O ATOM 1491 CB TYR A 97 -9.266 -24.483 -14.089 1.00 11.22 C ATOM 1492 CG TYR A 97 -9.593 -23.887 -12.738 1.00 31.51 C ATOM 1493 CD1 TYR A 97 -10.812 -24.143 -12.121 1.00 24.10 C ATOM 1494 CD2 TYR A 97 -8.684 -23.069 -12.079 1.00 13.20 C ATOM 1495 CE1 TYR A 97 -11.115 -23.601 -10.887 1.00 52.21 C ATOM 1496 CE2 TYR A 97 -8.979 -22.523 -10.844 1.00 62.54 C ATOM 1497 CZ TYR A 97 -10.195 -22.792 -10.253 1.00 34.23 C ATOM 1498 OH TYR A 97 -10.493 -22.250 -9.024 1.00 11.34 O ATOM 0 H TYR A 97 -8.225 -26.642 -13.121 1.00 1.41 H new ATOM 0 HA TYR A 97 -10.886 -25.895 -14.125 1.00 40.34 H new ATOM 0 HB2 TYR A 97 -8.184 -24.495 -14.219 1.00 11.22 H new ATOM 0 HB3 TYR A 97 -9.673 -23.840 -14.869 1.00 11.22 H new ATOM 0 HD1 TYR A 97 -11.534 -24.776 -12.615 1.00 24.10 H new ATOM 0 HD2 TYR A 97 -7.731 -22.856 -12.539 1.00 13.20 H new ATOM 0 HE1 TYR A 97 -12.067 -23.809 -10.421 1.00 52.21 H new ATOM 0 HE2 TYR A 97 -8.261 -21.889 -10.345 1.00 62.54 H new ATOM 0 HH TYR A 97 -10.962 -22.915 -8.478 1.00 11.34 H new ATOM 1508 N ARG A 98 -10.130 -25.706 -16.676 1.00 0.24 N ATOM 1509 CA ARG A 98 -9.945 -26.060 -18.078 1.00 3.23 C ATOM 1510 C ARG A 98 -9.088 -25.019 -18.792 1.00 64.25 C ATOM 1511 O ARG A 98 -9.567 -23.942 -19.148 1.00 44.21 O ATOM 1512 CB ARG A 98 -11.299 -26.188 -18.777 1.00 13.32 C ATOM 1513 CG ARG A 98 -11.600 -27.594 -19.270 1.00 10.32 C ATOM 1514 CD ARG A 98 -11.477 -27.692 -20.782 1.00 50.03 C ATOM 1515 NE ARG A 98 -12.506 -28.552 -21.360 1.00 53.24 N ATOM 1516 CZ ARG A 98 -12.444 -29.047 -22.591 1.00 41.04 C ATOM 1517 NH1 ARG A 98 -11.407 -28.769 -23.369 1.00 61.45 N ATOM 1518 NH2 ARG A 98 -13.420 -29.822 -23.046 1.00 71.23 N ATOM 0 H ARG A 98 -10.753 -24.914 -16.520 1.00 0.24 H new ATOM 0 HA ARG A 98 -9.431 -27.020 -18.120 1.00 3.23 H new ATOM 0 HB2 ARG A 98 -12.085 -25.878 -18.088 1.00 13.32 H new ATOM 0 HB3 ARG A 98 -11.328 -25.502 -19.623 1.00 13.32 H new ATOM 0 HG2 ARG A 98 -10.914 -28.300 -18.802 1.00 10.32 H new ATOM 0 HG3 ARG A 98 -12.607 -27.879 -18.966 1.00 10.32 H new ATOM 0 HD2 ARG A 98 -11.551 -26.695 -21.217 1.00 50.03 H new ATOM 0 HD3 ARG A 98 -10.492 -28.081 -21.041 1.00 50.03 H new ATOM 0 HE ARG A 98 -13.317 -28.785 -20.787 1.00 53.24 H new ATOM 0 HH11 ARG A 98 -10.655 -28.174 -23.023 1.00 61.45 H new ATOM 0 HH12 ARG A 98 -11.362 -29.150 -24.314 1.00 61.45 H new ATOM 0 HH21 ARG A 98 -14.219 -30.038 -22.450 1.00 71.23 H new ATOM 0 HH22 ARG A 98 -13.371 -30.201 -23.992 1.00 71.23 H new ATOM 1532 N THR A 99 -7.816 -25.348 -19.000 1.00 32.32 N ATOM 1533 CA THR A 99 -6.892 -24.443 -19.670 1.00 41.32 C ATOM 1534 C THR A 99 -7.048 -24.519 -21.185 1.00 32.44 C ATOM 1535 O THR A 99 -6.565 -25.456 -21.821 1.00 52.54 O ATOM 1536 CB THR A 99 -5.430 -24.757 -19.300 1.00 10.42 C ATOM 1537 OG1 THR A 99 -5.353 -25.199 -17.940 1.00 73.32 O ATOM 1538 CG2 THR A 99 -4.549 -23.531 -19.490 1.00 64.50 C ATOM 0 H THR A 99 -7.403 -26.236 -18.713 1.00 32.32 H new ATOM 0 HA THR A 99 -7.137 -23.436 -19.332 1.00 41.32 H new ATOM 0 HB THR A 99 -5.073 -25.548 -19.960 1.00 10.42 H new ATOM 0 HG1 THR A 99 -4.502 -25.662 -17.794 1.00 73.32 H new ATOM 0 HG21 THR A 99 -3.521 -23.777 -19.223 1.00 64.50 H new ATOM 0 HG22 THR A 99 -4.587 -23.214 -20.532 1.00 64.50 H new ATOM 0 HG23 THR A 99 -4.907 -22.723 -18.852 1.00 64.50 H new ATOM 1546 N SER A 100 -7.725 -23.529 -21.756 1.00 14.51 N ATOM 1547 CA SER A 100 -7.948 -23.486 -23.196 1.00 41.24 C ATOM 1548 C SER A 100 -7.248 -22.281 -23.819 1.00 30.34 C ATOM 1549 O SER A 100 -7.746 -21.156 -23.784 1.00 43.33 O ATOM 1550 CB SER A 100 -9.446 -23.433 -23.501 1.00 12.21 C ATOM 1551 OG SER A 100 -9.807 -24.413 -24.458 1.00 60.33 O ATOM 0 H SER A 100 -8.129 -22.745 -21.243 1.00 14.51 H new ATOM 0 HA SER A 100 -7.528 -24.393 -23.630 1.00 41.24 H new ATOM 0 HB2 SER A 100 -10.013 -23.590 -22.583 1.00 12.21 H new ATOM 0 HB3 SER A 100 -9.710 -22.443 -23.873 1.00 12.21 H new ATOM 0 HG SER A 100 -10.770 -24.359 -24.634 1.00 60.33 H new ATOM 1557 N PRO A 101 -6.064 -22.522 -24.402 1.00 34.01 N ATOM 1558 CA PRO A 101 -5.270 -21.471 -25.044 1.00 1.42 C ATOM 1559 C PRO A 101 -5.911 -20.963 -26.331 1.00 34.23 C ATOM 1560 O PRO A 101 -6.290 -21.749 -27.200 1.00 45.21 O ATOM 1561 CB PRO A 101 -3.940 -22.166 -25.347 1.00 54.02 C ATOM 1562 CG PRO A 101 -4.284 -23.612 -25.449 1.00 62.02 C ATOM 1563 CD PRO A 101 -5.411 -23.839 -24.480 1.00 61.31 C ATOM 0 HA PRO A 101 -5.172 -20.590 -24.409 1.00 1.42 H new ATOM 0 HB2 PRO A 101 -3.502 -21.797 -26.274 1.00 54.02 H new ATOM 0 HB3 PRO A 101 -3.211 -21.987 -24.557 1.00 54.02 H new ATOM 0 HG2 PRO A 101 -4.584 -23.871 -26.464 1.00 62.02 H new ATOM 0 HG3 PRO A 101 -3.425 -24.236 -25.202 1.00 62.02 H new ATOM 0 HD2 PRO A 101 -6.098 -24.608 -24.835 1.00 61.31 H new ATOM 0 HD3 PRO A 101 -5.044 -24.164 -23.506 1.00 61.31 H new ATOM 1571 N LYS A 102 -6.031 -19.645 -26.447 1.00 32.11 N ATOM 1572 CA LYS A 102 -6.625 -19.031 -27.629 1.00 34.44 C ATOM 1573 C LYS A 102 -6.355 -17.530 -27.656 1.00 73.53 C ATOM 1574 O LYS A 102 -5.942 -16.947 -26.655 1.00 21.00 O ATOM 1575 CB LYS A 102 -8.134 -19.290 -27.659 1.00 5.41 C ATOM 1576 CG LYS A 102 -8.691 -19.471 -29.060 1.00 35.32 C ATOM 1577 CD LYS A 102 -10.208 -19.561 -29.049 1.00 13.13 C ATOM 1578 CE LYS A 102 -10.682 -21.004 -29.125 1.00 21.30 C ATOM 1579 NZ LYS A 102 -11.780 -21.176 -30.116 1.00 63.14 N ATOM 0 H LYS A 102 -5.725 -18.981 -25.736 1.00 32.11 H new ATOM 0 HA LYS A 102 -6.168 -19.480 -28.511 1.00 34.44 H new ATOM 0 HB2 LYS A 102 -8.353 -20.182 -27.072 1.00 5.41 H new ATOM 0 HB3 LYS A 102 -8.647 -18.457 -27.178 1.00 5.41 H new ATOM 0 HG2 LYS A 102 -8.380 -18.636 -29.687 1.00 35.32 H new ATOM 0 HG3 LYS A 102 -8.275 -20.375 -29.504 1.00 35.32 H new ATOM 0 HD2 LYS A 102 -10.594 -19.098 -28.141 1.00 13.13 H new ATOM 0 HD3 LYS A 102 -10.613 -18.999 -29.891 1.00 13.13 H new ATOM 0 HE2 LYS A 102 -9.845 -21.647 -29.395 1.00 21.30 H new ATOM 0 HE3 LYS A 102 -11.026 -21.325 -28.142 1.00 21.30 H new ATOM 0 HZ1 LYS A 102 -12.075 -22.173 -30.138 1.00 63.14 H new ATOM 0 HZ2 LYS A 102 -12.589 -20.581 -29.844 1.00 63.14 H new ATOM 0 HZ3 LYS A 102 -11.444 -20.894 -31.059 1.00 63.14 H new ATOM 1593 N GLU A 103 -6.593 -16.912 -28.809 1.00 31.11 N ATOM 1594 CA GLU A 103 -6.376 -15.479 -28.965 1.00 5.30 C ATOM 1595 C GLU A 103 -7.566 -14.820 -29.655 1.00 52.44 C ATOM 1596 O GLU A 103 -7.931 -15.187 -30.772 1.00 73.50 O ATOM 1597 CB GLU A 103 -5.099 -15.219 -29.767 1.00 42.42 C ATOM 1598 CG GLU A 103 -5.007 -16.033 -31.047 1.00 14.22 C ATOM 1599 CD GLU A 103 -3.855 -15.601 -31.932 1.00 42.32 C ATOM 1600 OE1 GLU A 103 -4.038 -14.653 -32.725 1.00 24.41 O ATOM 1601 OE2 GLU A 103 -2.769 -16.210 -31.832 1.00 34.42 O ATOM 0 H GLU A 103 -6.936 -17.381 -29.647 1.00 31.11 H new ATOM 0 HA GLU A 103 -6.268 -15.044 -27.972 1.00 5.30 H new ATOM 0 HB2 GLU A 103 -5.046 -14.159 -30.016 1.00 42.42 H new ATOM 0 HB3 GLU A 103 -4.235 -15.443 -29.141 1.00 42.42 H new ATOM 0 HG2 GLU A 103 -4.891 -17.087 -30.795 1.00 14.22 H new ATOM 0 HG3 GLU A 103 -5.941 -15.939 -31.601 1.00 14.22 H new ATOM 1608 N ARG A 104 -8.167 -13.844 -28.982 1.00 74.21 N ATOM 1609 CA ARG A 104 -9.318 -13.135 -29.529 1.00 3.20 C ATOM 1610 C ARG A 104 -9.632 -11.891 -28.703 1.00 52.22 C ATOM 1611 O ARG A 104 -9.127 -11.726 -27.592 1.00 61.03 O ATOM 1612 CB ARG A 104 -10.539 -14.055 -29.570 1.00 31.12 C ATOM 1613 CG ARG A 104 -11.234 -14.085 -30.921 1.00 54.21 C ATOM 1614 CD ARG A 104 -11.724 -15.483 -31.265 1.00 43.12 C ATOM 1615 NE ARG A 104 -10.675 -16.294 -31.878 1.00 74.21 N ATOM 1616 CZ ARG A 104 -10.918 -17.331 -32.672 1.00 33.43 C ATOM 1617 NH1 ARG A 104 -12.167 -17.681 -32.947 1.00 71.25 N ATOM 1618 NH2 ARG A 104 -9.911 -18.021 -33.192 1.00 3.32 N ATOM 0 H ARG A 104 -7.876 -13.526 -28.057 1.00 74.21 H new ATOM 0 HA ARG A 104 -9.073 -12.824 -30.544 1.00 3.20 H new ATOM 0 HB2 ARG A 104 -10.230 -15.067 -29.307 1.00 31.12 H new ATOM 0 HB3 ARG A 104 -11.252 -13.732 -28.811 1.00 31.12 H new ATOM 0 HG2 ARG A 104 -12.077 -13.395 -30.913 1.00 54.21 H new ATOM 0 HG3 ARG A 104 -10.546 -13.739 -31.693 1.00 54.21 H new ATOM 0 HD2 ARG A 104 -12.081 -15.975 -30.360 1.00 43.12 H new ATOM 0 HD3 ARG A 104 -12.573 -15.413 -31.946 1.00 43.12 H new ATOM 0 HE ARG A 104 -9.703 -16.051 -31.686 1.00 74.21 H new ATOM 0 HH11 ARG A 104 -12.944 -17.154 -32.549 1.00 71.25 H new ATOM 0 HH12 ARG A 104 -12.351 -18.478 -33.557 1.00 71.25 H new ATOM 0 HH21 ARG A 104 -8.949 -17.755 -32.982 1.00 3.32 H new ATOM 0 HH22 ARG A 104 -10.099 -18.817 -33.801 1.00 3.32 H new ATOM 1632 N HIS A 105 -10.470 -11.017 -29.254 1.00 24.53 N ATOM 1633 CA HIS A 105 -10.852 -9.788 -28.568 1.00 64.01 C ATOM 1634 C HIS A 105 -11.355 -10.086 -27.159 1.00 52.30 C ATOM 1635 O HIS A 105 -11.886 -11.165 -26.895 1.00 13.24 O ATOM 1636 CB HIS A 105 -11.930 -9.050 -29.362 1.00 62.13 C ATOM 1637 CG HIS A 105 -11.643 -8.970 -30.830 1.00 42.41 C ATOM 1638 ND1 HIS A 105 -11.267 -7.802 -31.460 1.00 64.34 N ATOM 1639 CD2 HIS A 105 -11.677 -9.921 -31.792 1.00 52.14 C ATOM 1640 CE1 HIS A 105 -11.084 -8.039 -32.747 1.00 44.32 C ATOM 1641 NE2 HIS A 105 -11.326 -9.317 -32.975 1.00 21.04 N ATOM 0 H HIS A 105 -10.897 -11.138 -30.173 1.00 24.53 H new ATOM 0 HA HIS A 105 -9.969 -9.154 -28.492 1.00 64.01 H new ATOM 0 HB2 HIS A 105 -12.886 -9.552 -29.214 1.00 62.13 H new ATOM 0 HB3 HIS A 105 -12.035 -8.040 -28.965 1.00 62.13 H new ATOM 0 HD1 HIS A 105 -11.149 -6.897 -31.004 1.00 64.34 H new ATOM 0 HD2 HIS A 105 -11.933 -10.961 -31.655 1.00 52.14 H new ATOM 0 HE1 HIS A 105 -10.787 -7.311 -33.487 1.00 44.32 H new ATOM 1649 N ILE A 106 -11.184 -9.123 -26.259 1.00 72.22 N ATOM 1650 CA ILE A 106 -11.622 -9.283 -24.878 1.00 3.10 C ATOM 1651 C ILE A 106 -12.229 -7.991 -24.341 1.00 73.50 C ATOM 1652 O ILE A 106 -11.842 -6.896 -24.748 1.00 55.40 O ATOM 1653 CB ILE A 106 -10.457 -9.708 -23.964 1.00 51.21 C ATOM 1654 CG1 ILE A 106 -9.132 -9.167 -24.505 1.00 60.33 C ATOM 1655 CG2 ILE A 106 -10.406 -11.223 -23.841 1.00 34.32 C ATOM 1656 CD1 ILE A 106 -8.183 -8.700 -23.424 1.00 32.02 C ATOM 0 H ILE A 106 -10.746 -8.225 -26.461 1.00 72.22 H new ATOM 0 HA ILE A 106 -12.380 -10.066 -24.876 1.00 3.10 H new ATOM 0 HB ILE A 106 -10.621 -9.288 -22.972 1.00 51.21 H new ATOM 0 HG12 ILE A 106 -8.645 -9.944 -25.094 1.00 60.33 H new ATOM 0 HG13 ILE A 106 -9.337 -8.337 -25.181 1.00 60.33 H new ATOM 0 HG21 ILE A 106 -9.578 -11.508 -23.192 1.00 34.32 H new ATOM 0 HG22 ILE A 106 -11.342 -11.585 -23.415 1.00 34.32 H new ATOM 0 HG23 ILE A 106 -10.262 -11.663 -24.828 1.00 34.32 H new ATOM 0 HD11 ILE A 106 -7.265 -8.330 -23.881 1.00 32.02 H new ATOM 0 HD12 ILE A 106 -8.651 -7.900 -22.850 1.00 32.02 H new ATOM 0 HD13 ILE A 106 -7.948 -9.533 -22.761 1.00 32.02 H new ATOM 1668 N ILE A 107 -13.181 -8.128 -23.424 1.00 72.51 N ATOM 1669 CA ILE A 107 -13.840 -6.972 -22.829 1.00 71.51 C ATOM 1670 C ILE A 107 -13.402 -6.774 -21.382 1.00 64.21 C ATOM 1671 O ILE A 107 -13.416 -7.711 -20.584 1.00 21.23 O ATOM 1672 CB ILE A 107 -15.373 -7.113 -22.874 1.00 71.15 C ATOM 1673 CG1 ILE A 107 -15.807 -7.792 -24.176 1.00 5.45 C ATOM 1674 CG2 ILE A 107 -16.034 -5.750 -22.736 1.00 13.12 C ATOM 1675 CD1 ILE A 107 -16.500 -9.119 -23.963 1.00 25.32 C ATOM 0 H ILE A 107 -13.513 -9.028 -23.077 1.00 72.51 H new ATOM 0 HA ILE A 107 -13.545 -6.103 -23.418 1.00 71.51 H new ATOM 0 HB ILE A 107 -15.691 -7.736 -22.038 1.00 71.15 H new ATOM 0 HG12 ILE A 107 -16.476 -7.125 -24.719 1.00 5.45 H new ATOM 0 HG13 ILE A 107 -14.931 -7.946 -24.806 1.00 5.45 H new ATOM 0 HG21 ILE A 107 -17.117 -5.866 -22.770 1.00 13.12 H new ATOM 0 HG22 ILE A 107 -15.746 -5.301 -21.785 1.00 13.12 H new ATOM 0 HG23 ILE A 107 -15.713 -5.105 -23.554 1.00 13.12 H new ATOM 0 HD11 ILE A 107 -16.779 -9.543 -24.928 1.00 25.32 H new ATOM 0 HD12 ILE A 107 -15.826 -9.803 -23.448 1.00 25.32 H new ATOM 0 HD13 ILE A 107 -17.395 -8.969 -23.360 1.00 25.32 H new ATOM 1687 N VAL A 108 -13.013 -5.547 -21.050 1.00 14.00 N ATOM 1688 CA VAL A 108 -12.573 -5.224 -19.698 1.00 33.00 C ATOM 1689 C VAL A 108 -13.121 -3.874 -19.250 1.00 4.52 C ATOM 1690 O VAL A 108 -13.525 -3.052 -20.072 1.00 61.33 O ATOM 1691 CB VAL A 108 -11.036 -5.201 -19.598 1.00 75.44 C ATOM 1692 CG1 VAL A 108 -10.508 -6.565 -19.181 1.00 32.25 C ATOM 1693 CG2 VAL A 108 -10.424 -4.765 -20.921 1.00 24.43 C ATOM 0 H VAL A 108 -12.994 -4.760 -21.699 1.00 14.00 H new ATOM 0 HA VAL A 108 -12.960 -6.005 -19.044 1.00 33.00 H new ATOM 0 HB VAL A 108 -10.749 -4.478 -18.834 1.00 75.44 H new ATOM 0 HG11 VAL A 108 -9.421 -6.530 -19.116 1.00 32.25 H new ATOM 0 HG12 VAL A 108 -10.922 -6.834 -18.209 1.00 32.25 H new ATOM 0 HG13 VAL A 108 -10.803 -7.311 -19.919 1.00 32.25 H new ATOM 0 HG21 VAL A 108 -9.338 -4.754 -20.833 1.00 24.43 H new ATOM 0 HG22 VAL A 108 -10.718 -5.463 -21.705 1.00 24.43 H new ATOM 0 HG23 VAL A 108 -10.778 -3.765 -21.174 1.00 24.43 H new ATOM 1703 N ALA A 109 -13.130 -3.650 -17.940 1.00 21.33 N ATOM 1704 CA ALA A 109 -13.625 -2.398 -17.382 1.00 31.13 C ATOM 1705 C ALA A 109 -12.484 -1.561 -16.813 1.00 31.41 C ATOM 1706 O ALA A 109 -11.990 -1.829 -15.717 1.00 74.31 O ATOM 1707 CB ALA A 109 -14.666 -2.674 -16.307 1.00 72.40 C ATOM 0 H ALA A 109 -12.800 -4.320 -17.245 1.00 21.33 H new ATOM 0 HA ALA A 109 -14.091 -1.830 -18.187 1.00 31.13 H new ATOM 0 HB1 ALA A 109 -15.027 -1.730 -15.899 1.00 72.40 H new ATOM 0 HB2 ALA A 109 -15.501 -3.224 -16.741 1.00 72.40 H new ATOM 0 HB3 ALA A 109 -14.217 -3.266 -15.509 1.00 72.40 H new ATOM 1713 N CYS A 110 -12.069 -0.547 -17.564 1.00 63.33 N ATOM 1714 CA CYS A 110 -10.985 0.329 -17.136 1.00 62.42 C ATOM 1715 C CYS A 110 -11.534 1.616 -16.527 1.00 63.32 C ATOM 1716 O CYS A 110 -12.624 2.064 -16.879 1.00 34.22 O ATOM 1717 CB CYS A 110 -10.071 0.660 -18.318 1.00 75.21 C ATOM 1718 SG CYS A 110 -10.884 0.535 -19.944 1.00 32.53 S ATOM 0 H CYS A 110 -12.467 -0.311 -18.473 1.00 63.33 H new ATOM 0 HA CYS A 110 -10.407 -0.195 -16.375 1.00 62.42 H new ATOM 0 HB2 CYS A 110 -9.685 1.672 -18.193 1.00 75.21 H new ATOM 0 HB3 CYS A 110 -9.213 -0.012 -18.300 1.00 75.21 H new ATOM 1723 N GLU A 111 -10.769 2.204 -15.613 1.00 12.23 N ATOM 1724 CA GLU A 111 -11.180 3.439 -14.955 1.00 3.21 C ATOM 1725 C GLU A 111 -10.008 4.077 -14.214 1.00 63.50 C ATOM 1726 O GLU A 111 -8.904 3.533 -14.191 1.00 52.11 O ATOM 1727 CB GLU A 111 -12.326 3.167 -13.979 1.00 75.33 C ATOM 1728 CG GLU A 111 -13.141 4.403 -13.637 1.00 22.14 C ATOM 1729 CD GLU A 111 -12.797 4.968 -12.272 1.00 50.23 C ATOM 1730 OE1 GLU A 111 -12.722 4.180 -11.306 1.00 42.31 O ATOM 1731 OE2 GLU A 111 -12.604 6.198 -12.170 1.00 64.53 O ATOM 0 H GLU A 111 -9.863 1.846 -15.312 1.00 12.23 H new ATOM 0 HA GLU A 111 -11.523 4.132 -15.723 1.00 3.21 H new ATOM 0 HB2 GLU A 111 -12.987 2.414 -14.409 1.00 75.33 H new ATOM 0 HB3 GLU A 111 -11.917 2.746 -13.060 1.00 75.33 H new ATOM 0 HG2 GLU A 111 -12.972 5.167 -14.396 1.00 22.14 H new ATOM 0 HG3 GLU A 111 -14.202 4.154 -13.667 1.00 22.14 H new ATOM 1738 N GLY A 112 -10.256 5.234 -13.609 1.00 55.21 N ATOM 1739 CA GLY A 112 -9.213 5.928 -12.876 1.00 72.44 C ATOM 1740 C GLY A 112 -8.341 6.780 -13.776 1.00 52.35 C ATOM 1741 O GLY A 112 -8.816 7.336 -14.767 1.00 71.41 O ATOM 0 H GLY A 112 -11.161 5.704 -13.613 1.00 55.21 H new ATOM 0 HA2 GLY A 112 -9.668 6.559 -12.113 1.00 72.44 H new ATOM 0 HA3 GLY A 112 -8.591 5.199 -12.357 1.00 72.44 H new ATOM 1745 N SER A 113 -7.062 6.886 -13.431 1.00 51.10 N ATOM 1746 CA SER A 113 -6.123 7.682 -14.212 1.00 43.21 C ATOM 1747 C SER A 113 -4.688 7.226 -13.965 1.00 42.33 C ATOM 1748 O SER A 113 -4.205 7.195 -12.833 1.00 53.01 O ATOM 1749 CB SER A 113 -6.266 9.165 -13.864 1.00 44.11 C ATOM 1750 OG SER A 113 -6.438 9.949 -15.032 1.00 60.22 O ATOM 0 H SER A 113 -6.652 6.430 -12.616 1.00 51.10 H new ATOM 0 HA SER A 113 -6.355 7.540 -15.268 1.00 43.21 H new ATOM 0 HB2 SER A 113 -7.119 9.305 -13.199 1.00 44.11 H new ATOM 0 HB3 SER A 113 -5.382 9.502 -13.323 1.00 44.11 H new ATOM 0 HG SER A 113 -6.529 10.892 -14.782 1.00 60.22 H new ATOM 1756 N PRO A 114 -3.988 6.864 -15.051 1.00 32.43 N ATOM 1757 CA PRO A 114 -4.552 6.896 -16.403 1.00 52.14 C ATOM 1758 C PRO A 114 -5.619 5.826 -16.613 1.00 5.43 C ATOM 1759 O PRO A 114 -5.816 4.958 -15.763 1.00 25.24 O ATOM 1760 CB PRO A 114 -3.341 6.626 -17.299 1.00 42.14 C ATOM 1761 CG PRO A 114 -2.392 5.869 -16.436 1.00 32.42 C ATOM 1762 CD PRO A 114 -2.593 6.393 -15.041 1.00 2.31 C ATOM 0 HA PRO A 114 -5.053 7.841 -16.613 1.00 52.14 H new ATOM 0 HB2 PRO A 114 -3.621 6.049 -18.180 1.00 42.14 H new ATOM 0 HB3 PRO A 114 -2.897 7.556 -17.655 1.00 42.14 H new ATOM 0 HG2 PRO A 114 -2.591 4.798 -16.483 1.00 32.42 H new ATOM 0 HG3 PRO A 114 -1.363 6.017 -16.764 1.00 32.42 H new ATOM 0 HD2 PRO A 114 -2.437 5.615 -14.293 1.00 2.31 H new ATOM 0 HD3 PRO A 114 -1.898 7.201 -14.811 1.00 2.31 H new ATOM 1770 N TYR A 115 -6.303 5.895 -17.749 1.00 34.12 N ATOM 1771 CA TYR A 115 -7.351 4.933 -18.069 1.00 35.04 C ATOM 1772 C TYR A 115 -6.771 3.533 -18.243 1.00 70.15 C ATOM 1773 O TYR A 115 -6.191 3.214 -19.281 1.00 64.21 O ATOM 1774 CB TYR A 115 -8.088 5.354 -19.341 1.00 54.20 C ATOM 1775 CG TYR A 115 -9.584 5.483 -19.160 1.00 40.30 C ATOM 1776 CD1 TYR A 115 -10.120 5.975 -17.976 1.00 72.30 C ATOM 1777 CD2 TYR A 115 -10.461 5.113 -20.172 1.00 42.01 C ATOM 1778 CE1 TYR A 115 -11.486 6.094 -17.806 1.00 30.23 C ATOM 1779 CE2 TYR A 115 -11.828 5.230 -20.011 1.00 42.02 C ATOM 1780 CZ TYR A 115 -12.336 5.721 -18.826 1.00 65.43 C ATOM 1781 OH TYR A 115 -13.697 5.837 -18.662 1.00 3.45 O ATOM 0 H TYR A 115 -6.151 6.607 -18.464 1.00 34.12 H new ATOM 0 HA TYR A 115 -8.057 4.913 -17.238 1.00 35.04 H new ATOM 0 HB2 TYR A 115 -7.688 6.309 -19.683 1.00 54.20 H new ATOM 0 HB3 TYR A 115 -7.887 4.625 -20.126 1.00 54.20 H new ATOM 0 HD1 TYR A 115 -9.458 6.269 -17.175 1.00 72.30 H new ATOM 0 HD2 TYR A 115 -10.067 4.727 -21.101 1.00 42.01 H new ATOM 0 HE1 TYR A 115 -11.886 6.477 -16.879 1.00 30.23 H new ATOM 0 HE2 TYR A 115 -12.495 4.939 -20.808 1.00 42.02 H new ATOM 0 HH TYR A 115 -14.153 5.190 -19.241 1.00 3.45 H new ATOM 1791 N VAL A 116 -6.933 2.700 -17.220 1.00 41.20 N ATOM 1792 CA VAL A 116 -6.427 1.333 -17.259 1.00 54.23 C ATOM 1793 C VAL A 116 -7.499 0.338 -16.827 1.00 41.44 C ATOM 1794 O VAL A 116 -8.411 0.662 -16.067 1.00 15.20 O ATOM 1795 CB VAL A 116 -5.192 1.165 -16.355 1.00 11.42 C ATOM 1796 CG1 VAL A 116 -4.104 2.153 -16.747 1.00 54.54 C ATOM 1797 CG2 VAL A 116 -5.576 1.335 -14.893 1.00 1.54 C ATOM 0 H VAL A 116 -7.411 2.948 -16.354 1.00 41.20 H new ATOM 0 HA VAL A 116 -6.142 1.131 -18.291 1.00 54.23 H new ATOM 0 HB VAL A 116 -4.799 0.157 -16.490 1.00 11.42 H new ATOM 0 HG11 VAL A 116 -3.239 2.019 -16.097 1.00 54.54 H new ATOM 0 HG12 VAL A 116 -3.810 1.979 -17.782 1.00 54.54 H new ATOM 0 HG13 VAL A 116 -4.482 3.170 -16.643 1.00 54.54 H new ATOM 0 HG21 VAL A 116 -4.691 1.213 -14.268 1.00 1.54 H new ATOM 0 HG22 VAL A 116 -5.994 2.330 -14.740 1.00 1.54 H new ATOM 0 HG23 VAL A 116 -6.318 0.584 -14.622 1.00 1.54 H new ATOM 1807 N PRO A 117 -7.388 -0.903 -17.323 1.00 24.24 N ATOM 1808 CA PRO A 117 -8.338 -1.972 -17.001 1.00 2.15 C ATOM 1809 C PRO A 117 -8.222 -2.434 -15.552 1.00 3.21 C ATOM 1810 O PRO A 117 -7.168 -2.903 -15.122 1.00 2.11 O ATOM 1811 CB PRO A 117 -7.939 -3.100 -17.955 1.00 74.31 C ATOM 1812 CG PRO A 117 -6.501 -2.853 -18.255 1.00 54.41 C ATOM 1813 CD PRO A 117 -6.325 -1.359 -18.235 1.00 33.45 C ATOM 0 HA PRO A 117 -9.372 -1.646 -17.113 1.00 2.15 H new ATOM 0 HB2 PRO A 117 -8.085 -4.077 -17.495 1.00 74.31 H new ATOM 0 HB3 PRO A 117 -8.541 -3.082 -18.863 1.00 74.31 H new ATOM 0 HG2 PRO A 117 -5.860 -3.332 -17.515 1.00 54.41 H new ATOM 0 HG3 PRO A 117 -6.229 -3.265 -19.227 1.00 54.41 H new ATOM 0 HD2 PRO A 117 -5.336 -1.076 -17.874 1.00 33.45 H new ATOM 0 HD3 PRO A 117 -6.437 -0.928 -19.230 1.00 33.45 H new ATOM 1821 N VAL A 118 -9.312 -2.298 -14.803 1.00 63.52 N ATOM 1822 CA VAL A 118 -9.332 -2.703 -13.403 1.00 33.43 C ATOM 1823 C VAL A 118 -10.279 -3.878 -13.184 1.00 53.11 C ATOM 1824 O VAL A 118 -10.579 -4.245 -12.047 1.00 41.33 O ATOM 1825 CB VAL A 118 -9.756 -1.539 -12.488 1.00 34.00 C ATOM 1826 CG1 VAL A 118 -8.917 -0.303 -12.773 1.00 10.12 C ATOM 1827 CG2 VAL A 118 -11.238 -1.239 -12.660 1.00 42.04 C ATOM 0 H VAL A 118 -10.192 -1.911 -15.143 1.00 63.52 H new ATOM 0 HA VAL A 118 -8.317 -3.006 -13.147 1.00 33.43 H new ATOM 0 HB VAL A 118 -9.586 -1.833 -11.452 1.00 34.00 H new ATOM 0 HG11 VAL A 118 -9.231 0.509 -12.117 1.00 10.12 H new ATOM 0 HG12 VAL A 118 -7.866 -0.528 -12.594 1.00 10.12 H new ATOM 0 HG13 VAL A 118 -9.052 -0.003 -13.812 1.00 10.12 H new ATOM 0 HG21 VAL A 118 -11.521 -0.414 -12.006 1.00 42.04 H new ATOM 0 HG22 VAL A 118 -11.436 -0.965 -13.696 1.00 42.04 H new ATOM 0 HG23 VAL A 118 -11.821 -2.123 -12.401 1.00 42.04 H new ATOM 1837 N HIS A 119 -10.748 -4.465 -14.281 1.00 22.33 N ATOM 1838 CA HIS A 119 -11.661 -5.600 -14.209 1.00 70.42 C ATOM 1839 C HIS A 119 -11.814 -6.262 -15.576 1.00 2.43 C ATOM 1840 O HIS A 119 -11.668 -5.612 -16.611 1.00 41.51 O ATOM 1841 CB HIS A 119 -13.028 -5.151 -13.692 1.00 4.24 C ATOM 1842 CG HIS A 119 -14.177 -5.852 -14.348 1.00 0.03 C ATOM 1843 ND1 HIS A 119 -15.164 -6.505 -13.640 1.00 25.15 N ATOM 1844 CD2 HIS A 119 -14.495 -5.998 -15.655 1.00 61.42 C ATOM 1845 CE1 HIS A 119 -16.038 -7.024 -14.483 1.00 65.40 C ATOM 1846 NE2 HIS A 119 -15.655 -6.731 -15.713 1.00 10.23 N ATOM 0 H HIS A 119 -10.511 -4.174 -15.229 1.00 22.33 H new ATOM 0 HA HIS A 119 -11.240 -6.329 -13.516 1.00 70.42 H new ATOM 0 HB2 HIS A 119 -13.075 -5.323 -12.617 1.00 4.24 H new ATOM 0 HB3 HIS A 119 -13.131 -4.077 -13.848 1.00 4.24 H new ATOM 0 HD2 HIS A 119 -13.940 -5.610 -16.496 1.00 61.42 H new ATOM 0 HE1 HIS A 119 -16.916 -7.591 -14.213 1.00 65.40 H new ATOM 0 HE2 HIS A 119 -16.142 -7.005 -16.567 1.00 10.23 H new ATOM 1854 N PHE A 120 -12.108 -7.558 -15.571 1.00 43.40 N ATOM 1855 CA PHE A 120 -12.278 -8.307 -16.810 1.00 74.31 C ATOM 1856 C PHE A 120 -13.724 -8.768 -16.972 1.00 61.23 C ATOM 1857 O PHE A 120 -14.354 -9.219 -16.016 1.00 20.34 O ATOM 1858 CB PHE A 120 -11.340 -9.516 -16.833 1.00 53.12 C ATOM 1859 CG PHE A 120 -10.818 -9.843 -18.203 1.00 21.22 C ATOM 1860 CD1 PHE A 120 -11.606 -10.529 -19.113 1.00 45.15 C ATOM 1861 CD2 PHE A 120 -9.539 -9.465 -18.580 1.00 15.31 C ATOM 1862 CE1 PHE A 120 -11.127 -10.832 -20.374 1.00 61.01 C ATOM 1863 CE2 PHE A 120 -9.056 -9.765 -19.839 1.00 45.34 C ATOM 1864 CZ PHE A 120 -9.851 -10.448 -20.738 1.00 22.40 C ATOM 0 H PHE A 120 -12.233 -8.111 -14.723 1.00 43.40 H new ATOM 0 HA PHE A 120 -12.029 -7.647 -17.641 1.00 74.31 H new ATOM 0 HB2 PHE A 120 -10.498 -9.325 -16.168 1.00 53.12 H new ATOM 0 HB3 PHE A 120 -11.868 -10.383 -16.437 1.00 53.12 H new ATOM 0 HD1 PHE A 120 -12.605 -10.830 -18.834 1.00 45.15 H new ATOM 0 HD2 PHE A 120 -8.913 -8.930 -17.882 1.00 15.31 H new ATOM 0 HE1 PHE A 120 -11.750 -11.369 -21.074 1.00 61.01 H new ATOM 0 HE2 PHE A 120 -8.057 -9.466 -20.120 1.00 45.34 H new ATOM 0 HZ PHE A 120 -9.476 -10.681 -21.724 1.00 22.40 H new ATOM 1874 N ASP A 121 -14.243 -8.651 -18.190 1.00 2.45 N ATOM 1875 CA ASP A 121 -15.614 -9.055 -18.479 1.00 23.24 C ATOM 1876 C ASP A 121 -15.650 -10.451 -19.093 1.00 32.34 C ATOM 1877 O ASP A 121 -16.023 -11.421 -18.433 1.00 13.33 O ATOM 1878 CB ASP A 121 -16.276 -8.051 -19.424 1.00 22.43 C ATOM 1879 CG ASP A 121 -17.597 -7.535 -18.887 1.00 64.53 C ATOM 1880 OD1 ASP A 121 -17.576 -6.740 -17.924 1.00 73.05 O ATOM 1881 OD2 ASP A 121 -18.651 -7.926 -19.431 1.00 24.42 O ATOM 0 H ASP A 121 -13.735 -8.280 -18.993 1.00 2.45 H new ATOM 0 HA ASP A 121 -16.167 -9.076 -17.540 1.00 23.24 H new ATOM 0 HB2 ASP A 121 -15.601 -7.211 -19.588 1.00 22.43 H new ATOM 0 HB3 ASP A 121 -16.440 -8.522 -20.393 1.00 22.43 H new ATOM 1886 N ALA A 122 -15.261 -10.545 -20.360 1.00 74.10 N ATOM 1887 CA ALA A 122 -15.249 -11.822 -21.063 1.00 23.14 C ATOM 1888 C ALA A 122 -14.565 -11.695 -22.420 1.00 31.22 C ATOM 1889 O ALA A 122 -14.504 -10.609 -22.995 1.00 42.14 O ATOM 1890 CB ALA A 122 -16.667 -12.346 -21.231 1.00 13.00 C ATOM 0 H ALA A 122 -14.950 -9.752 -20.921 1.00 74.10 H new ATOM 0 HA ALA A 122 -14.680 -12.533 -20.464 1.00 23.14 H new ATOM 0 HB1 ALA A 122 -16.642 -13.300 -21.758 1.00 13.00 H new ATOM 0 HB2 ALA A 122 -17.122 -12.484 -20.250 1.00 13.00 H new ATOM 0 HB3 ALA A 122 -17.254 -11.630 -21.806 1.00 13.00 H new ATOM 1896 N SER A 123 -14.052 -12.812 -22.925 1.00 63.14 N ATOM 1897 CA SER A 123 -13.368 -12.825 -24.213 1.00 51.43 C ATOM 1898 C SER A 123 -14.369 -12.944 -25.358 1.00 70.45 C ATOM 1899 O SER A 123 -15.227 -13.827 -25.358 1.00 54.14 O ATOM 1900 CB SER A 123 -12.368 -13.980 -24.272 1.00 65.54 C ATOM 1901 OG SER A 123 -12.946 -15.181 -23.791 1.00 33.01 O ATOM 0 H SER A 123 -14.097 -13.720 -22.462 1.00 63.14 H new ATOM 0 HA SER A 123 -12.830 -11.883 -24.320 1.00 51.43 H new ATOM 0 HB2 SER A 123 -12.031 -14.121 -25.299 1.00 65.54 H new ATOM 0 HB3 SER A 123 -11.488 -13.733 -23.679 1.00 65.54 H new ATOM 0 HG SER A 123 -13.900 -15.198 -24.016 1.00 33.01 H new ATOM 1907 N VAL A 124 -14.252 -12.049 -26.334 1.00 71.54 N ATOM 1908 CA VAL A 124 -15.145 -12.054 -27.487 1.00 31.10 C ATOM 1909 C VAL A 124 -14.546 -12.846 -28.643 1.00 62.53 C ATOM 1910 O VAL A 124 -13.433 -13.363 -28.544 1.00 13.35 O ATOM 1911 CB VAL A 124 -15.452 -10.622 -27.965 1.00 32.42 C ATOM 1912 CG1 VAL A 124 -16.949 -10.357 -27.928 1.00 55.22 C ATOM 1913 CG2 VAL A 124 -14.701 -9.606 -27.118 1.00 72.00 C ATOM 0 H VAL A 124 -13.548 -11.311 -26.349 1.00 71.54 H new ATOM 0 HA VAL A 124 -16.072 -12.529 -27.167 1.00 31.10 H new ATOM 0 HB VAL A 124 -15.115 -10.521 -28.997 1.00 32.42 H new ATOM 0 HG11 VAL A 124 -17.147 -9.341 -28.269 1.00 55.22 H new ATOM 0 HG12 VAL A 124 -17.460 -11.065 -28.581 1.00 55.22 H new ATOM 0 HG13 VAL A 124 -17.314 -10.475 -26.908 1.00 55.22 H new ATOM 0 HG21 VAL A 124 -14.929 -8.600 -27.469 1.00 72.00 H new ATOM 0 HG22 VAL A 124 -15.006 -9.705 -26.076 1.00 72.00 H new ATOM 0 HG23 VAL A 124 -13.629 -9.785 -27.201 1.00 72.00 H new ATOM 1923 N GLU A 125 -15.291 -12.938 -29.740 1.00 52.33 N ATOM 1924 CA GLU A 125 -14.833 -13.668 -30.916 1.00 64.01 C ATOM 1925 C GLU A 125 -14.563 -12.715 -32.077 1.00 73.44 C ATOM 1926 O GLU A 125 -13.701 -12.972 -32.918 1.00 73.40 O ATOM 1927 CB GLU A 125 -15.869 -14.714 -31.330 1.00 71.54 C ATOM 1928 CG GLU A 125 -15.389 -16.146 -31.163 1.00 32.35 C ATOM 1929 CD GLU A 125 -16.521 -17.109 -30.860 1.00 62.33 C ATOM 1930 OE1 GLU A 125 -17.418 -16.741 -30.072 1.00 65.45 O ATOM 1931 OE2 GLU A 125 -16.510 -18.230 -31.411 1.00 21.04 O ATOM 0 H GLU A 125 -16.214 -12.516 -29.839 1.00 52.33 H new ATOM 0 HA GLU A 125 -13.902 -14.172 -30.659 1.00 64.01 H new ATOM 0 HB2 GLU A 125 -16.773 -14.572 -30.738 1.00 71.54 H new ATOM 0 HB3 GLU A 125 -16.141 -14.550 -32.373 1.00 71.54 H new ATOM 0 HG2 GLU A 125 -14.881 -16.463 -32.074 1.00 32.35 H new ATOM 0 HG3 GLU A 125 -14.656 -16.188 -30.358 1.00 32.35 H new