USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 670 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 32 SER OG : rot 180:sc= 0.12 USER MOD Set 1.2: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 35 THR OG1 : rot -160:sc= -0.5 USER MOD Set 2.1: A 16 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 20 CYS SG : rot 88:sc= -0.421 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot -40:sc= 0.00391 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.24 K(o=-0.24,f=-5.6!) USER MOD Single : A 14 MET CE :methyl -168:sc= -0.573 (180deg=-0.834) USER MOD Single : A 22 LYS NZ :NH3+ 162:sc= -0.0204 (180deg=-0.193) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 27 GLN : amide:sc= -0.379 K(o=-0.38,f=-2.1) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= -2.29 K(o=-2.3,f=-11!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc=-0.00487 X(o=-0.0049,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 152:sc= -0.216 (180deg=-0.953) USER MOD Single : A 54 SER OG : rot 85:sc= 0.375 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 85:sc= 0.675 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.433 USER MOD Single : A 78 CYS SG : rot -32:sc= -0.494 USER MOD Single : A 80 TYR OH : rot -123:sc= 0.171 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0.179 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 1.341 0.000 0.000 1.00 52.34 N ATOM 2 CA PRO A 1 2.133 -0.001 -1.234 1.00 33.32 C ATOM 3 C PRO A 1 2.035 -1.325 -1.984 1.00 25.01 C ATOM 4 O PRO A 1 2.971 -1.730 -2.672 1.00 60.42 O ATOM 5 CB PRO A 1 3.563 0.229 -0.738 1.00 71.02 C ATOM 6 CG PRO A 1 3.564 -0.277 0.663 1.00 74.43 C ATOM 7 CD PRO A 1 2.188 0.000 1.204 1.00 30.13 C ATOM 0 H2 PRO A 1 0.734 -0.820 0.013 1.00 52.34 H new ATOM 0 H3 PRO A 1 0.735 0.820 0.013 1.00 52.34 H new ATOM 0 HA PRO A 1 1.787 0.752 -1.942 1.00 33.32 H new ATOM 0 HB2 PRO A 1 4.286 -0.307 -1.353 1.00 71.02 H new ATOM 0 HB3 PRO A 1 3.831 1.285 -0.778 1.00 71.02 H new ATOM 0 HG2 PRO A 1 3.788 -1.343 0.693 1.00 74.43 H new ATOM 0 HG3 PRO A 1 4.326 0.225 1.259 1.00 74.43 H new ATOM 0 HD2 PRO A 1 1.875 -0.764 1.915 1.00 30.13 H new ATOM 0 HD3 PRO A 1 2.146 0.957 1.725 1.00 30.13 H new ATOM 15 N GLY A 2 0.895 -1.995 -1.847 1.00 34.43 N ATOM 16 CA GLY A 2 0.697 -3.266 -2.518 1.00 52.43 C ATOM 17 C GLY A 2 -0.397 -4.097 -1.876 1.00 71.25 C ATOM 18 O GLY A 2 -0.236 -4.589 -0.759 1.00 34.30 O ATOM 0 H GLY A 2 0.105 -1.680 -1.283 1.00 34.43 H new ATOM 0 HA2 GLY A 2 0.446 -3.086 -3.563 1.00 52.43 H new ATOM 0 HA3 GLY A 2 1.630 -3.829 -2.506 1.00 52.43 H new ATOM 22 N SER A 3 -1.512 -4.252 -2.582 1.00 72.21 N ATOM 23 CA SER A 3 -2.639 -5.024 -2.071 1.00 61.54 C ATOM 24 C SER A 3 -2.896 -6.250 -2.941 1.00 62.44 C ATOM 25 O SER A 3 -3.271 -7.311 -2.443 1.00 61.12 O ATOM 26 CB SER A 3 -3.896 -4.154 -2.011 1.00 31.31 C ATOM 27 OG SER A 3 -4.032 -3.374 -3.187 1.00 12.05 O ATOM 0 H SER A 3 -1.659 -3.853 -3.509 1.00 72.21 H new ATOM 0 HA SER A 3 -2.391 -5.360 -1.064 1.00 61.54 H new ATOM 0 HB2 SER A 3 -4.775 -4.787 -1.887 1.00 31.31 H new ATOM 0 HB3 SER A 3 -3.848 -3.500 -1.140 1.00 31.31 H new ATOM 0 HG SER A 3 -4.843 -2.828 -3.125 1.00 12.05 H new ATOM 33 N MET A 4 -2.693 -6.096 -4.245 1.00 71.22 N ATOM 34 CA MET A 4 -2.901 -7.190 -5.186 1.00 10.34 C ATOM 35 C MET A 4 -2.072 -8.409 -4.795 1.00 13.52 C ATOM 36 O MET A 4 -2.421 -9.542 -5.126 1.00 10.30 O ATOM 37 CB MET A 4 -2.540 -6.747 -6.605 1.00 21.22 C ATOM 38 CG MET A 4 -3.328 -5.539 -7.084 1.00 65.30 C ATOM 39 SD MET A 4 -2.746 -4.914 -8.672 1.00 72.13 S ATOM 40 CE MET A 4 -3.945 -5.646 -9.783 1.00 41.52 C ATOM 0 H MET A 4 -2.384 -5.224 -4.674 1.00 71.22 H new ATOM 0 HA MET A 4 -3.955 -7.465 -5.157 1.00 10.34 H new ATOM 0 HB2 MET A 4 -1.476 -6.515 -6.645 1.00 21.22 H new ATOM 0 HB3 MET A 4 -2.711 -7.577 -7.290 1.00 21.22 H new ATOM 0 HG2 MET A 4 -4.381 -5.807 -7.168 1.00 65.30 H new ATOM 0 HG3 MET A 4 -3.259 -4.746 -6.339 1.00 65.30 H new ATOM 0 HE1 MET A 4 -3.719 -5.351 -10.808 1.00 41.52 H new ATOM 0 HE2 MET A 4 -3.903 -6.732 -9.700 1.00 41.52 H new ATOM 0 HE3 MET A 4 -4.944 -5.301 -9.518 1.00 41.52 H new ATOM 50 N VAL A 5 -0.972 -8.169 -4.088 1.00 50.34 N ATOM 51 CA VAL A 5 -0.094 -9.247 -3.651 1.00 72.33 C ATOM 52 C VAL A 5 -0.804 -10.171 -2.668 1.00 44.51 C ATOM 53 O VAL A 5 -1.696 -9.745 -1.934 1.00 2.23 O ATOM 54 CB VAL A 5 1.184 -8.697 -2.989 1.00 11.11 C ATOM 55 CG1 VAL A 5 2.178 -9.820 -2.732 1.00 21.20 C ATOM 56 CG2 VAL A 5 1.806 -7.611 -3.854 1.00 11.22 C ATOM 0 H VAL A 5 -0.668 -7.237 -3.806 1.00 50.34 H new ATOM 0 HA VAL A 5 0.181 -9.811 -4.542 1.00 72.33 H new ATOM 0 HB VAL A 5 0.915 -8.256 -2.029 1.00 11.11 H new ATOM 0 HG11 VAL A 5 3.074 -9.413 -2.264 1.00 21.20 H new ATOM 0 HG12 VAL A 5 1.728 -10.560 -2.070 1.00 21.20 H new ATOM 0 HG13 VAL A 5 2.445 -10.293 -3.677 1.00 21.20 H new ATOM 0 HG21 VAL A 5 2.708 -7.233 -3.372 1.00 11.22 H new ATOM 0 HG22 VAL A 5 2.062 -8.025 -4.829 1.00 11.22 H new ATOM 0 HG23 VAL A 5 1.094 -6.795 -3.982 1.00 11.22 H new ATOM 66 N SER A 6 -0.403 -11.438 -2.660 1.00 10.42 N ATOM 67 CA SER A 6 -1.004 -12.424 -1.769 1.00 13.32 C ATOM 68 C SER A 6 -0.750 -12.063 -0.309 1.00 1.55 C ATOM 69 O SER A 6 0.284 -12.415 0.258 1.00 70.20 O ATOM 70 CB SER A 6 -0.446 -13.818 -2.066 1.00 31.11 C ATOM 71 OG SER A 6 -1.229 -14.483 -3.042 1.00 12.30 O ATOM 0 H SER A 6 0.335 -11.806 -3.260 1.00 10.42 H new ATOM 0 HA SER A 6 -2.080 -12.426 -1.943 1.00 13.32 H new ATOM 0 HB2 SER A 6 0.583 -13.734 -2.416 1.00 31.11 H new ATOM 0 HB3 SER A 6 -0.424 -14.407 -1.149 1.00 31.11 H new ATOM 0 HG SER A 6 -2.178 -14.302 -2.879 1.00 12.30 H new ATOM 77 N GLU A 7 -1.703 -11.358 0.294 1.00 25.12 N ATOM 78 CA GLU A 7 -1.582 -10.949 1.689 1.00 23.40 C ATOM 79 C GLU A 7 -1.427 -12.162 2.601 1.00 11.43 C ATOM 80 O GLU A 7 -0.801 -12.081 3.657 1.00 4.20 O ATOM 81 CB GLU A 7 -2.806 -10.132 2.111 1.00 61.41 C ATOM 82 CG GLU A 7 -2.652 -8.639 1.876 1.00 52.15 C ATOM 83 CD GLU A 7 -3.775 -7.832 2.498 1.00 32.24 C ATOM 84 OE1 GLU A 7 -4.933 -7.990 2.057 1.00 13.40 O ATOM 85 OE2 GLU A 7 -3.496 -7.042 3.424 1.00 63.30 O ATOM 0 H GLU A 7 -2.566 -11.059 -0.161 1.00 25.12 H new ATOM 0 HA GLU A 7 -0.690 -10.330 1.784 1.00 23.40 H new ATOM 0 HB2 GLU A 7 -3.678 -10.490 1.563 1.00 61.41 H new ATOM 0 HB3 GLU A 7 -3.002 -10.306 3.169 1.00 61.41 H new ATOM 0 HG2 GLU A 7 -1.699 -8.306 2.288 1.00 52.15 H new ATOM 0 HG3 GLU A 7 -2.621 -8.445 0.804 1.00 52.15 H new ATOM 92 N GLU A 8 -2.003 -13.286 2.184 1.00 62.33 N ATOM 93 CA GLU A 8 -1.930 -14.515 2.965 1.00 22.01 C ATOM 94 C GLU A 8 -0.490 -15.011 3.064 1.00 45.53 C ATOM 95 O GLU A 8 0.014 -15.271 4.158 1.00 0.33 O ATOM 96 CB GLU A 8 -2.811 -15.597 2.337 1.00 5.22 C ATOM 97 CG GLU A 8 -2.982 -16.827 3.213 1.00 4.01 C ATOM 98 CD GLU A 8 -4.143 -16.699 4.179 1.00 65.32 C ATOM 99 OE1 GLU A 8 -5.121 -15.999 3.841 1.00 10.50 O ATOM 100 OE2 GLU A 8 -4.075 -17.298 5.273 1.00 20.33 O ATOM 0 H GLU A 8 -2.524 -13.370 1.311 1.00 62.33 H new ATOM 0 HA GLU A 8 -2.292 -14.299 3.970 1.00 22.01 H new ATOM 0 HB2 GLU A 8 -3.793 -15.175 2.122 1.00 5.22 H new ATOM 0 HB3 GLU A 8 -2.378 -15.898 1.383 1.00 5.22 H new ATOM 0 HG2 GLU A 8 -3.136 -17.701 2.580 1.00 4.01 H new ATOM 0 HG3 GLU A 8 -2.064 -16.998 3.775 1.00 4.01 H new ATOM 107 N ILE A 9 0.166 -15.141 1.916 1.00 60.43 N ATOM 108 CA ILE A 9 1.547 -15.606 1.874 1.00 52.14 C ATOM 109 C ILE A 9 2.503 -14.534 2.386 1.00 13.42 C ATOM 110 O ILE A 9 3.536 -14.841 2.981 1.00 51.22 O ATOM 111 CB ILE A 9 1.961 -16.009 0.446 1.00 32.12 C ATOM 112 CG1 ILE A 9 0.877 -16.874 -0.198 1.00 51.12 C ATOM 113 CG2 ILE A 9 3.291 -16.747 0.470 1.00 50.42 C ATOM 114 CD1 ILE A 9 1.248 -17.383 -1.574 1.00 72.45 C ATOM 0 H ILE A 9 -0.236 -14.931 1.003 1.00 60.43 H new ATOM 0 HA ILE A 9 1.606 -16.481 2.521 1.00 52.14 H new ATOM 0 HB ILE A 9 2.079 -15.105 -0.151 1.00 32.12 H new ATOM 0 HG12 ILE A 9 0.669 -17.724 0.451 1.00 51.12 H new ATOM 0 HG13 ILE A 9 -0.044 -16.295 -0.270 1.00 51.12 H new ATOM 0 HG21 ILE A 9 3.571 -17.026 -0.546 1.00 50.42 H new ATOM 0 HG22 ILE A 9 4.059 -16.099 0.893 1.00 50.42 H new ATOM 0 HG23 ILE A 9 3.198 -17.646 1.080 1.00 50.42 H new ATOM 0 HD11 ILE A 9 0.433 -17.989 -1.970 1.00 72.45 H new ATOM 0 HD12 ILE A 9 1.428 -16.538 -2.238 1.00 72.45 H new ATOM 0 HD13 ILE A 9 2.151 -17.990 -1.506 1.00 72.45 H new ATOM 126 N LYS A 10 2.151 -13.274 2.151 1.00 24.45 N ATOM 127 CA LYS A 10 2.975 -12.155 2.591 1.00 53.51 C ATOM 128 C LYS A 10 3.319 -12.281 4.072 1.00 24.33 C ATOM 129 O LYS A 10 4.446 -12.005 4.482 1.00 33.51 O ATOM 130 CB LYS A 10 2.252 -10.831 2.335 1.00 74.03 C ATOM 131 CG LYS A 10 3.190 -9.659 2.108 1.00 54.41 C ATOM 132 CD LYS A 10 3.711 -9.098 3.421 1.00 65.13 C ATOM 133 CE LYS A 10 4.402 -7.758 3.220 1.00 45.24 C ATOM 134 NZ LYS A 10 5.296 -7.419 4.362 1.00 3.11 N ATOM 0 H LYS A 10 1.300 -13.003 1.658 1.00 24.45 H new ATOM 0 HA LYS A 10 3.902 -12.172 2.018 1.00 53.51 H new ATOM 0 HB2 LYS A 10 1.606 -10.942 1.464 1.00 74.03 H new ATOM 0 HB3 LYS A 10 1.606 -10.609 3.185 1.00 74.03 H new ATOM 0 HG2 LYS A 10 4.029 -9.978 1.489 1.00 54.41 H new ATOM 0 HG3 LYS A 10 2.668 -8.876 1.558 1.00 54.41 H new ATOM 0 HD2 LYS A 10 2.884 -8.981 4.121 1.00 65.13 H new ATOM 0 HD3 LYS A 10 4.409 -9.805 3.868 1.00 65.13 H new ATOM 0 HE2 LYS A 10 4.984 -7.784 2.299 1.00 45.24 H new ATOM 0 HE3 LYS A 10 3.652 -6.976 3.102 1.00 45.24 H new ATOM 0 HZ1 LYS A 10 5.748 -6.499 4.187 1.00 3.11 H new ATOM 0 HZ2 LYS A 10 4.737 -7.369 5.238 1.00 3.11 H new ATOM 0 HZ3 LYS A 10 6.028 -8.152 4.459 1.00 3.11 H new ATOM 148 N ALA A 11 2.341 -12.700 4.868 1.00 50.21 N ATOM 149 CA ALA A 11 2.542 -12.866 6.302 1.00 34.33 C ATOM 150 C ALA A 11 3.467 -14.043 6.594 1.00 4.45 C ATOM 151 O ALA A 11 4.206 -14.033 7.578 1.00 53.20 O ATOM 152 CB ALA A 11 1.206 -13.055 7.004 1.00 43.42 C ATOM 0 H ALA A 11 1.402 -12.931 4.544 1.00 50.21 H new ATOM 0 HA ALA A 11 3.016 -11.962 6.685 1.00 34.33 H new ATOM 0 HB1 ALA A 11 1.372 -13.178 8.074 1.00 43.42 H new ATOM 0 HB2 ALA A 11 0.578 -12.181 6.832 1.00 43.42 H new ATOM 0 HB3 ALA A 11 0.710 -13.942 6.610 1.00 43.42 H new ATOM 158 N GLN A 12 3.418 -15.055 5.735 1.00 24.33 N ATOM 159 CA GLN A 12 4.251 -16.240 5.903 1.00 2.14 C ATOM 160 C GLN A 12 5.697 -15.949 5.516 1.00 42.14 C ATOM 161 O GLN A 12 6.628 -16.308 6.238 1.00 75.20 O ATOM 162 CB GLN A 12 3.708 -17.395 5.059 1.00 54.01 C ATOM 163 CG GLN A 12 2.503 -18.086 5.677 1.00 32.44 C ATOM 164 CD GLN A 12 2.884 -19.313 6.482 1.00 15.14 C ATOM 165 OE1 GLN A 12 2.697 -20.445 6.035 1.00 41.43 O ATOM 166 NE2 GLN A 12 3.421 -19.094 7.676 1.00 62.23 N ATOM 0 H GLN A 12 2.811 -15.079 4.916 1.00 24.33 H new ATOM 0 HA GLN A 12 4.226 -16.524 6.955 1.00 2.14 H new ATOM 0 HB2 GLN A 12 3.434 -17.017 4.074 1.00 54.01 H new ATOM 0 HB3 GLN A 12 4.500 -18.129 4.910 1.00 54.01 H new ATOM 0 HG2 GLN A 12 1.976 -17.382 6.322 1.00 32.44 H new ATOM 0 HG3 GLN A 12 1.810 -18.375 4.887 1.00 32.44 H new ATOM 0 HE21 GLN A 12 3.558 -18.139 8.006 1.00 62.23 H new ATOM 0 HE22 GLN A 12 3.697 -19.881 8.263 1.00 62.23 H new ATOM 175 N VAL A 13 5.879 -15.295 4.373 1.00 55.30 N ATOM 176 CA VAL A 13 7.212 -14.954 3.891 1.00 61.15 C ATOM 177 C VAL A 13 7.904 -13.976 4.834 1.00 35.34 C ATOM 178 O VAL A 13 9.088 -14.122 5.137 1.00 43.12 O ATOM 179 CB VAL A 13 7.158 -14.339 2.480 1.00 14.51 C ATOM 180 CG1 VAL A 13 6.704 -15.375 1.463 1.00 15.43 C ATOM 181 CG2 VAL A 13 6.242 -13.126 2.463 1.00 71.30 C ATOM 0 H VAL A 13 5.120 -14.991 3.764 1.00 55.30 H new ATOM 0 HA VAL A 13 7.782 -15.882 3.853 1.00 61.15 H new ATOM 0 HB VAL A 13 8.161 -14.012 2.206 1.00 14.51 H new ATOM 0 HG11 VAL A 13 6.672 -14.922 0.472 1.00 15.43 H new ATOM 0 HG12 VAL A 13 7.404 -16.211 1.458 1.00 15.43 H new ATOM 0 HG13 VAL A 13 5.710 -15.735 1.730 1.00 15.43 H new ATOM 0 HG21 VAL A 13 6.216 -12.704 1.458 1.00 71.30 H new ATOM 0 HG22 VAL A 13 5.236 -13.426 2.757 1.00 71.30 H new ATOM 0 HG23 VAL A 13 6.617 -12.377 3.161 1.00 71.30 H new ATOM 191 N MET A 14 7.157 -12.978 5.294 1.00 13.51 N ATOM 192 CA MET A 14 7.698 -11.975 6.205 1.00 42.15 C ATOM 193 C MET A 14 7.963 -12.577 7.581 1.00 13.12 C ATOM 194 O MET A 14 8.947 -12.238 8.237 1.00 73.12 O ATOM 195 CB MET A 14 6.734 -10.794 6.328 1.00 42.43 C ATOM 196 CG MET A 14 5.433 -11.143 7.033 1.00 3.14 C ATOM 197 SD MET A 14 5.480 -10.777 8.798 1.00 42.00 S ATOM 198 CE MET A 14 3.854 -11.333 9.302 1.00 52.44 C ATOM 0 H MET A 14 6.176 -12.842 5.051 1.00 13.51 H new ATOM 0 HA MET A 14 8.644 -11.621 5.795 1.00 42.15 H new ATOM 0 HB2 MET A 14 7.227 -9.988 6.871 1.00 42.43 H new ATOM 0 HB3 MET A 14 6.507 -10.415 5.331 1.00 42.43 H new ATOM 0 HG2 MET A 14 4.615 -10.589 6.573 1.00 3.14 H new ATOM 0 HG3 MET A 14 5.220 -12.203 6.891 1.00 3.14 H new ATOM 0 HE1 MET A 14 3.647 -10.983 10.313 1.00 52.44 H new ATOM 0 HE2 MET A 14 3.105 -10.932 8.619 1.00 52.44 H new ATOM 0 HE3 MET A 14 3.819 -12.422 9.281 1.00 52.44 H new ATOM 208 N GLU A 15 7.078 -13.471 8.011 1.00 31.13 N ATOM 209 CA GLU A 15 7.217 -14.118 9.310 1.00 3.51 C ATOM 210 C GLU A 15 8.423 -15.053 9.326 1.00 40.41 C ATOM 211 O GLU A 15 9.105 -15.186 10.343 1.00 50.11 O ATOM 212 CB GLU A 15 5.948 -14.900 9.654 1.00 51.42 C ATOM 213 CG GLU A 15 6.084 -15.769 10.893 1.00 64.33 C ATOM 214 CD GLU A 15 4.747 -16.261 11.411 1.00 14.11 C ATOM 215 OE1 GLU A 15 4.030 -15.465 12.053 1.00 72.54 O ATOM 216 OE2 GLU A 15 4.417 -17.442 11.175 1.00 12.44 O ATOM 0 H GLU A 15 6.258 -13.763 7.479 1.00 31.13 H new ATOM 0 HA GLU A 15 7.371 -13.341 10.059 1.00 3.51 H new ATOM 0 HB2 GLU A 15 5.128 -14.198 9.802 1.00 51.42 H new ATOM 0 HB3 GLU A 15 5.679 -15.530 8.806 1.00 51.42 H new ATOM 0 HG2 GLU A 15 6.718 -16.626 10.663 1.00 64.33 H new ATOM 0 HG3 GLU A 15 6.586 -15.202 11.677 1.00 64.33 H new ATOM 223 N SER A 16 8.680 -15.698 8.193 1.00 34.34 N ATOM 224 CA SER A 16 9.800 -16.623 8.077 1.00 4.21 C ATOM 225 C SER A 16 11.122 -15.867 7.982 1.00 25.30 C ATOM 226 O SER A 16 12.117 -16.253 8.597 1.00 71.45 O ATOM 227 CB SER A 16 9.624 -17.520 6.850 1.00 21.44 C ATOM 228 OG SER A 16 10.473 -18.652 6.919 1.00 73.30 O ATOM 0 H SER A 16 8.127 -15.597 7.342 1.00 34.34 H new ATOM 0 HA SER A 16 9.820 -17.244 8.973 1.00 4.21 H new ATOM 0 HB2 SER A 16 8.586 -17.844 6.779 1.00 21.44 H new ATOM 0 HB3 SER A 16 9.843 -16.952 5.946 1.00 21.44 H new ATOM 0 HG SER A 16 10.340 -19.210 6.124 1.00 73.30 H new ATOM 234 N VAL A 17 11.125 -14.787 7.207 1.00 40.23 N ATOM 235 CA VAL A 17 12.322 -13.975 7.031 1.00 71.33 C ATOM 236 C VAL A 17 12.759 -13.347 8.350 1.00 73.43 C ATOM 237 O VAL A 17 13.920 -13.453 8.745 1.00 75.50 O ATOM 238 CB VAL A 17 12.097 -12.859 5.994 1.00 54.13 C ATOM 239 CG1 VAL A 17 13.291 -11.918 5.953 1.00 61.33 C ATOM 240 CG2 VAL A 17 11.829 -13.455 4.620 1.00 64.43 C ATOM 0 H VAL A 17 10.311 -14.454 6.691 1.00 40.23 H new ATOM 0 HA VAL A 17 13.106 -14.642 6.671 1.00 71.33 H new ATOM 0 HB VAL A 17 11.221 -12.282 6.292 1.00 54.13 H new ATOM 0 HG11 VAL A 17 13.113 -11.136 5.214 1.00 61.33 H new ATOM 0 HG12 VAL A 17 13.431 -11.465 6.934 1.00 61.33 H new ATOM 0 HG13 VAL A 17 14.186 -12.477 5.681 1.00 61.33 H new ATOM 0 HG21 VAL A 17 11.672 -12.652 3.899 1.00 64.43 H new ATOM 0 HG22 VAL A 17 12.683 -14.058 4.312 1.00 64.43 H new ATOM 0 HG23 VAL A 17 10.939 -14.083 4.663 1.00 64.43 H new ATOM 250 N ILE A 18 11.821 -12.694 9.027 1.00 20.20 N ATOM 251 CA ILE A 18 12.108 -12.050 10.303 1.00 4.21 C ATOM 252 C ILE A 18 12.841 -13.000 11.245 1.00 21.34 C ATOM 253 O ILE A 18 13.905 -12.674 11.769 1.00 62.42 O ATOM 254 CB ILE A 18 10.820 -11.558 10.988 1.00 54.43 C ATOM 255 CG1 ILE A 18 10.171 -10.445 10.163 1.00 21.40 C ATOM 256 CG2 ILE A 18 11.122 -11.071 12.398 1.00 35.43 C ATOM 257 CD1 ILE A 18 8.679 -10.321 10.384 1.00 14.31 C ATOM 0 H ILE A 18 10.855 -12.597 8.713 1.00 20.20 H new ATOM 0 HA ILE A 18 12.745 -11.192 10.087 1.00 4.21 H new ATOM 0 HB ILE A 18 10.121 -12.391 11.054 1.00 54.43 H new ATOM 0 HG12 ILE A 18 10.647 -9.496 10.410 1.00 21.40 H new ATOM 0 HG13 ILE A 18 10.359 -10.630 9.106 1.00 21.40 H new ATOM 0 HG21 ILE A 18 10.201 -10.726 12.869 1.00 35.43 H new ATOM 0 HG22 ILE A 18 11.545 -11.888 12.982 1.00 35.43 H new ATOM 0 HG23 ILE A 18 11.837 -10.249 12.354 1.00 35.43 H new ATOM 0 HD11 ILE A 18 8.286 -9.513 9.768 1.00 14.31 H new ATOM 0 HD12 ILE A 18 8.192 -11.257 10.110 1.00 14.31 H new ATOM 0 HD13 ILE A 18 8.484 -10.104 11.434 1.00 14.31 H new ATOM 269 N GLY A 19 12.263 -14.179 11.455 1.00 20.44 N ATOM 270 CA GLY A 19 12.875 -15.159 12.333 1.00 33.42 C ATOM 271 C GLY A 19 14.084 -15.824 11.705 1.00 43.03 C ATOM 272 O GLY A 19 14.954 -16.338 12.410 1.00 24.14 O ATOM 0 H GLY A 19 11.382 -14.473 11.033 1.00 20.44 H new ATOM 0 HA2 GLY A 19 13.173 -14.674 13.263 1.00 33.42 H new ATOM 0 HA3 GLY A 19 12.139 -15.920 12.592 1.00 33.42 H new ATOM 276 N CYS A 20 14.139 -15.817 10.378 1.00 11.52 N ATOM 277 CA CYS A 20 15.250 -16.426 9.655 1.00 1.22 C ATOM 278 C CYS A 20 16.561 -15.717 9.976 1.00 65.11 C ATOM 279 O CYS A 20 17.560 -16.357 10.310 1.00 25.20 O ATOM 280 CB CYS A 20 14.989 -16.385 8.149 1.00 12.21 C ATOM 281 SG CYS A 20 14.432 -17.958 7.453 1.00 23.42 S ATOM 0 H CYS A 20 13.427 -15.396 9.781 1.00 11.52 H new ATOM 0 HA CYS A 20 15.333 -17.465 9.974 1.00 1.22 H new ATOM 0 HB2 CYS A 20 14.238 -15.622 7.942 1.00 12.21 H new ATOM 0 HB3 CYS A 20 15.903 -16.079 7.641 1.00 12.21 H new ATOM 0 HG CYS A 20 13.137 -18.038 7.541 1.00 23.42 H new ATOM 287 N LEU A 21 16.553 -14.393 9.871 1.00 53.41 N ATOM 288 CA LEU A 21 17.743 -13.596 10.148 1.00 51.22 C ATOM 289 C LEU A 21 17.617 -12.876 11.487 1.00 15.30 C ATOM 290 O LEU A 21 18.477 -12.079 11.859 1.00 53.22 O ATOM 291 CB LEU A 21 17.972 -12.579 9.029 1.00 25.12 C ATOM 292 CG LEU A 21 16.741 -12.197 8.207 1.00 53.32 C ATOM 293 CD1 LEU A 21 16.903 -10.803 7.620 1.00 4.41 C ATOM 294 CD2 LEU A 21 16.497 -13.217 7.104 1.00 52.43 C ATOM 0 H LEU A 21 15.736 -13.848 9.596 1.00 53.41 H new ATOM 0 HA LEU A 21 18.598 -14.270 10.198 1.00 51.22 H new ATOM 0 HB2 LEU A 21 18.386 -11.672 9.469 1.00 25.12 H new ATOM 0 HB3 LEU A 21 18.727 -12.978 8.352 1.00 25.12 H new ATOM 0 HG LEU A 21 15.874 -12.193 8.868 1.00 53.32 H new ATOM 0 HD11 LEU A 21 16.017 -10.548 7.038 1.00 4.41 H new ATOM 0 HD12 LEU A 21 17.027 -10.081 8.427 1.00 4.41 H new ATOM 0 HD13 LEU A 21 17.781 -10.780 6.974 1.00 4.41 H new ATOM 0 HD21 LEU A 21 15.617 -12.928 6.530 1.00 52.43 H new ATOM 0 HD22 LEU A 21 17.364 -13.254 6.445 1.00 52.43 H new ATOM 0 HD23 LEU A 21 16.335 -14.200 7.547 1.00 52.43 H new ATOM 306 N LYS A 22 16.538 -13.165 12.208 1.00 1.40 N ATOM 307 CA LYS A 22 16.299 -12.548 13.507 1.00 75.54 C ATOM 308 C LYS A 22 16.444 -11.032 13.425 1.00 52.33 C ATOM 309 O LYS A 22 17.526 -10.488 13.647 1.00 32.45 O ATOM 310 CB LYS A 22 17.273 -13.108 14.547 1.00 53.14 C ATOM 311 CG LYS A 22 16.974 -14.542 14.950 1.00 11.31 C ATOM 312 CD LYS A 22 18.241 -15.288 15.334 1.00 24.50 C ATOM 313 CE LYS A 22 18.590 -15.076 16.799 1.00 14.00 C ATOM 314 NZ LYS A 22 17.647 -15.791 17.703 1.00 54.14 N ATOM 0 H LYS A 22 15.816 -13.823 11.914 1.00 1.40 H new ATOM 0 HA LYS A 22 15.278 -12.782 13.810 1.00 75.54 H new ATOM 0 HB2 LYS A 22 18.286 -13.055 14.149 1.00 53.14 H new ATOM 0 HB3 LYS A 22 17.246 -12.477 15.435 1.00 53.14 H new ATOM 0 HG2 LYS A 22 16.279 -14.548 15.789 1.00 11.31 H new ATOM 0 HG3 LYS A 22 16.482 -15.058 14.125 1.00 11.31 H new ATOM 0 HD2 LYS A 22 18.111 -16.353 15.140 1.00 24.50 H new ATOM 0 HD3 LYS A 22 19.067 -14.949 14.709 1.00 24.50 H new ATOM 0 HE2 LYS A 22 19.606 -15.425 16.984 1.00 14.00 H new ATOM 0 HE3 LYS A 22 18.573 -14.010 17.026 1.00 14.00 H new ATOM 0 HZ1 LYS A 22 18.073 -15.883 18.647 1.00 54.14 H new ATOM 0 HZ2 LYS A 22 16.760 -15.253 17.774 1.00 54.14 H new ATOM 0 HZ3 LYS A 22 17.449 -16.737 17.320 1.00 54.14 H new ATOM 328 N LEU A 23 15.346 -10.354 13.107 1.00 63.12 N ATOM 329 CA LEU A 23 15.350 -8.900 12.997 1.00 10.22 C ATOM 330 C LEU A 23 14.969 -8.252 14.325 1.00 71.20 C ATOM 331 O LEU A 23 14.257 -8.845 15.134 1.00 42.11 O ATOM 332 CB LEU A 23 14.383 -8.449 11.901 1.00 24.31 C ATOM 333 CG LEU A 23 14.884 -8.594 10.463 1.00 34.40 C ATOM 334 CD1 LEU A 23 16.186 -7.833 10.272 1.00 62.24 C ATOM 335 CD2 LEU A 23 15.065 -10.062 10.108 1.00 71.34 C ATOM 0 H LEU A 23 14.442 -10.788 12.921 1.00 63.12 H new ATOM 0 HA LEU A 23 16.360 -8.583 12.735 1.00 10.22 H new ATOM 0 HB2 LEU A 23 13.459 -9.019 12.002 1.00 24.31 H new ATOM 0 HB3 LEU A 23 14.132 -7.402 12.074 1.00 24.31 H new ATOM 0 HG LEU A 23 14.137 -8.168 9.793 1.00 34.40 H new ATOM 0 HD11 LEU A 23 16.527 -7.948 9.243 1.00 62.24 H new ATOM 0 HD12 LEU A 23 16.024 -6.776 10.485 1.00 62.24 H new ATOM 0 HD13 LEU A 23 16.942 -8.228 10.951 1.00 62.24 H new ATOM 0 HD21 LEU A 23 15.422 -10.147 9.082 1.00 71.34 H new ATOM 0 HD22 LEU A 23 15.792 -10.513 10.783 1.00 71.34 H new ATOM 0 HD23 LEU A 23 14.111 -10.580 10.204 1.00 71.34 H new ATOM 347 N ASN A 24 15.446 -7.031 14.540 1.00 45.20 N ATOM 348 CA ASN A 24 15.154 -6.302 15.769 1.00 65.04 C ATOM 349 C ASN A 24 14.055 -5.269 15.541 1.00 22.23 C ATOM 350 O ASN A 24 13.587 -5.083 14.417 1.00 61.52 O ATOM 351 CB ASN A 24 16.417 -5.612 16.290 1.00 25.14 C ATOM 352 CG ASN A 24 17.629 -6.523 16.255 1.00 24.34 C ATOM 353 OD1 ASN A 24 17.524 -7.725 16.499 1.00 75.32 O ATOM 354 ND2 ASN A 24 18.789 -5.952 15.950 1.00 12.31 N ATOM 0 H ASN A 24 16.036 -6.525 13.880 1.00 45.20 H new ATOM 0 HA ASN A 24 14.806 -7.019 16.513 1.00 65.04 H new ATOM 0 HB2 ASN A 24 16.616 -4.724 15.691 1.00 25.14 H new ATOM 0 HB3 ASN A 24 16.248 -5.275 17.313 1.00 25.14 H new ATOM 0 HD21 ASN A 24 19.639 -6.514 15.911 1.00 12.31 H new ATOM 0 HD22 ASN A 24 18.829 -4.952 15.755 1.00 12.31 H new ATOM 361 N ASP A 25 13.647 -4.600 16.614 1.00 44.23 N ATOM 362 CA ASP A 25 12.604 -3.584 16.531 1.00 34.40 C ATOM 363 C ASP A 25 12.927 -2.561 15.447 1.00 23.34 C ATOM 364 O ASP A 25 12.047 -2.141 14.695 1.00 45.40 O ATOM 365 CB ASP A 25 12.438 -2.882 17.879 1.00 1.51 C ATOM 366 CG ASP A 25 12.391 -3.858 19.038 1.00 64.32 C ATOM 367 OD1 ASP A 25 11.781 -4.936 18.881 1.00 20.14 O ATOM 368 OD2 ASP A 25 12.963 -3.543 20.103 1.00 24.33 O ATOM 0 H ASP A 25 14.023 -4.743 17.551 1.00 44.23 H new ATOM 0 HA ASP A 25 11.669 -4.079 16.271 1.00 34.40 H new ATOM 0 HB2 ASP A 25 13.264 -2.186 18.027 1.00 1.51 H new ATOM 0 HB3 ASP A 25 11.522 -2.292 17.868 1.00 1.51 H new ATOM 373 N GLU A 26 14.193 -2.164 15.373 1.00 23.44 N ATOM 374 CA GLU A 26 14.631 -1.188 14.381 1.00 51.55 C ATOM 375 C GLU A 26 14.456 -1.734 12.967 1.00 41.22 C ATOM 376 O GLU A 26 13.821 -1.104 12.122 1.00 64.53 O ATOM 377 CB GLU A 26 16.094 -0.810 14.617 1.00 23.33 C ATOM 378 CG GLU A 26 16.300 0.117 15.803 1.00 11.13 C ATOM 379 CD GLU A 26 17.625 0.852 15.747 1.00 33.12 C ATOM 380 OE1 GLU A 26 18.649 0.262 16.151 1.00 53.41 O ATOM 381 OE2 GLU A 26 17.638 2.017 15.297 1.00 10.11 O ATOM 0 H GLU A 26 14.933 -2.503 15.987 1.00 23.44 H new ATOM 0 HA GLU A 26 14.012 -0.297 14.487 1.00 51.55 H new ATOM 0 HB2 GLU A 26 16.675 -1.719 14.772 1.00 23.33 H new ATOM 0 HB3 GLU A 26 16.486 -0.331 13.720 1.00 23.33 H new ATOM 0 HG2 GLU A 26 15.488 0.843 15.837 1.00 11.13 H new ATOM 0 HG3 GLU A 26 16.249 -0.462 16.725 1.00 11.13 H new ATOM 388 N GLN A 27 15.026 -2.909 12.718 1.00 43.14 N ATOM 389 CA GLN A 27 14.935 -3.539 11.406 1.00 70.43 C ATOM 390 C GLN A 27 13.479 -3.737 10.998 1.00 74.33 C ATOM 391 O GLN A 27 13.113 -3.525 9.841 1.00 70.11 O ATOM 392 CB GLN A 27 15.663 -4.884 11.411 1.00 60.33 C ATOM 393 CG GLN A 27 17.063 -4.815 11.999 1.00 35.01 C ATOM 394 CD GLN A 27 17.827 -3.587 11.546 1.00 64.11 C ATOM 395 OE1 GLN A 27 17.749 -2.528 12.170 1.00 33.13 O ATOM 396 NE2 GLN A 27 18.572 -3.721 10.455 1.00 31.11 N ATOM 0 H GLN A 27 15.555 -3.443 13.407 1.00 43.14 H new ATOM 0 HA GLN A 27 15.411 -2.880 10.680 1.00 70.43 H new ATOM 0 HB2 GLN A 27 15.074 -5.604 11.979 1.00 60.33 H new ATOM 0 HB3 GLN A 27 15.725 -5.258 10.389 1.00 60.33 H new ATOM 0 HG2 GLN A 27 16.996 -4.816 13.087 1.00 35.01 H new ATOM 0 HG3 GLN A 27 17.617 -5.709 11.713 1.00 35.01 H new ATOM 0 HE21 GLN A 27 18.608 -4.617 9.969 1.00 31.11 H new ATOM 0 HE22 GLN A 27 19.109 -2.928 10.103 1.00 31.11 H new ATOM 405 N LYS A 28 12.652 -4.146 11.954 1.00 33.40 N ATOM 406 CA LYS A 28 11.235 -4.372 11.695 1.00 0.31 C ATOM 407 C LYS A 28 10.505 -3.052 11.469 1.00 73.13 C ATOM 408 O LYS A 28 9.444 -3.018 10.847 1.00 33.23 O ATOM 409 CB LYS A 28 10.596 -5.127 12.863 1.00 10.45 C ATOM 410 CG LYS A 28 11.207 -6.495 13.110 1.00 2.22 C ATOM 411 CD LYS A 28 11.084 -6.906 14.568 1.00 53.25 C ATOM 412 CE LYS A 28 10.949 -8.414 14.713 1.00 14.30 C ATOM 413 NZ LYS A 28 9.523 -8.840 14.774 1.00 1.02 N ATOM 0 H LYS A 28 12.939 -4.328 12.916 1.00 33.40 H new ATOM 0 HA LYS A 28 11.149 -4.974 10.790 1.00 0.31 H new ATOM 0 HB2 LYS A 28 10.691 -4.527 13.768 1.00 10.45 H new ATOM 0 HB3 LYS A 28 9.530 -5.244 12.669 1.00 10.45 H new ATOM 0 HG2 LYS A 28 10.713 -7.234 12.480 1.00 2.22 H new ATOM 0 HG3 LYS A 28 12.258 -6.482 12.822 1.00 2.22 H new ATOM 0 HD2 LYS A 28 11.960 -6.564 15.119 1.00 53.25 H new ATOM 0 HD3 LYS A 28 10.217 -6.418 15.013 1.00 53.25 H new ATOM 0 HE2 LYS A 28 11.439 -8.905 13.872 1.00 14.30 H new ATOM 0 HE3 LYS A 28 11.464 -8.740 15.617 1.00 14.30 H new ATOM 0 HZ1 LYS A 28 9.474 -9.874 14.873 1.00 1.02 H new ATOM 0 HZ2 LYS A 28 9.061 -8.392 15.591 1.00 1.02 H new ATOM 0 HZ3 LYS A 28 9.037 -8.552 13.901 1.00 1.02 H new ATOM 427 N GLN A 29 11.082 -1.968 11.977 1.00 54.00 N ATOM 428 CA GLN A 29 10.486 -0.645 11.829 1.00 31.22 C ATOM 429 C GLN A 29 10.971 0.031 10.551 1.00 50.15 C ATOM 430 O GLN A 29 10.321 0.939 10.032 1.00 72.44 O ATOM 431 CB GLN A 29 10.820 0.227 13.040 1.00 30.00 C ATOM 432 CG GLN A 29 9.841 0.069 14.192 1.00 61.43 C ATOM 433 CD GLN A 29 9.781 1.296 15.079 1.00 52.42 C ATOM 434 OE1 GLN A 29 10.772 1.673 15.707 1.00 3.31 O ATOM 435 NE2 GLN A 29 8.615 1.929 15.137 1.00 52.22 N ATOM 0 H GLN A 29 11.961 -1.979 12.494 1.00 54.00 H new ATOM 0 HA GLN A 29 9.405 -0.767 11.766 1.00 31.22 H new ATOM 0 HB2 GLN A 29 11.822 -0.020 13.390 1.00 30.00 H new ATOM 0 HB3 GLN A 29 10.839 1.272 12.731 1.00 30.00 H new ATOM 0 HG2 GLN A 29 8.847 -0.136 13.794 1.00 61.43 H new ATOM 0 HG3 GLN A 29 10.128 -0.795 14.792 1.00 61.43 H new ATOM 0 HE21 GLN A 29 7.820 1.583 14.601 1.00 52.22 H new ATOM 0 HE22 GLN A 29 8.515 2.761 15.718 1.00 52.22 H new ATOM 444 N ILE A 30 12.118 -0.417 10.049 1.00 2.02 N ATOM 445 CA ILE A 30 12.689 0.145 8.832 1.00 13.22 C ATOM 446 C ILE A 30 12.600 -0.844 7.675 1.00 11.13 C ATOM 447 O ILE A 30 13.362 -0.759 6.711 1.00 22.43 O ATOM 448 CB ILE A 30 14.162 0.549 9.036 1.00 43.52 C ATOM 449 CG1 ILE A 30 15.005 -0.678 9.391 1.00 24.21 C ATOM 450 CG2 ILE A 30 14.275 1.609 10.121 1.00 14.42 C ATOM 451 CD1 ILE A 30 15.788 -1.232 8.222 1.00 63.02 C ATOM 0 H ILE A 30 12.669 -1.167 10.467 1.00 2.02 H new ATOM 0 HA ILE A 30 12.107 1.034 8.592 1.00 13.22 H new ATOM 0 HB ILE A 30 14.541 0.970 8.105 1.00 43.52 H new ATOM 0 HG12 ILE A 30 15.698 -0.414 10.190 1.00 24.21 H new ATOM 0 HG13 ILE A 30 14.351 -1.457 9.782 1.00 24.21 H new ATOM 0 HG21 ILE A 30 15.321 1.884 10.253 1.00 14.42 H new ATOM 0 HG22 ILE A 30 13.702 2.490 9.830 1.00 14.42 H new ATOM 0 HG23 ILE A 30 13.882 1.214 11.058 1.00 14.42 H new ATOM 0 HD11 ILE A 30 16.362 -2.100 8.547 1.00 63.02 H new ATOM 0 HD12 ILE A 30 15.100 -1.528 7.430 1.00 63.02 H new ATOM 0 HD13 ILE A 30 16.468 -0.468 7.845 1.00 63.02 H new ATOM 463 N LEU A 31 11.665 -1.782 7.777 1.00 64.14 N ATOM 464 CA LEU A 31 11.474 -2.788 6.738 1.00 21.12 C ATOM 465 C LEU A 31 10.370 -2.371 5.772 1.00 14.43 C ATOM 466 O LEU A 31 9.479 -1.600 6.128 1.00 1.54 O ATOM 467 CB LEU A 31 11.134 -4.141 7.367 1.00 41.11 C ATOM 468 CG LEU A 31 11.809 -5.361 6.740 1.00 20.21 C ATOM 469 CD1 LEU A 31 12.069 -6.427 7.794 1.00 40.33 C ATOM 470 CD2 LEU A 31 10.957 -5.921 5.611 1.00 12.21 C ATOM 0 H LEU A 31 11.027 -1.867 8.569 1.00 64.14 H new ATOM 0 HA LEU A 31 12.405 -2.878 6.178 1.00 21.12 H new ATOM 0 HB2 LEU A 31 11.401 -4.106 8.423 1.00 41.11 H new ATOM 0 HB3 LEU A 31 10.054 -4.282 7.316 1.00 41.11 H new ATOM 0 HG LEU A 31 12.767 -5.049 6.324 1.00 20.21 H new ATOM 0 HD11 LEU A 31 12.550 -7.288 7.330 1.00 40.33 H new ATOM 0 HD12 LEU A 31 12.720 -6.022 8.569 1.00 40.33 H new ATOM 0 HD13 LEU A 31 11.124 -6.736 8.240 1.00 40.33 H new ATOM 0 HD21 LEU A 31 11.453 -6.789 5.177 1.00 12.21 H new ATOM 0 HD22 LEU A 31 9.984 -6.218 6.002 1.00 12.21 H new ATOM 0 HD23 LEU A 31 10.823 -5.158 4.844 1.00 12.21 H new ATOM 482 N SER A 32 10.433 -2.888 4.549 1.00 11.55 N ATOM 483 CA SER A 32 9.440 -2.568 3.532 1.00 52.24 C ATOM 484 C SER A 32 9.386 -3.656 2.464 1.00 35.45 C ATOM 485 O SER A 32 10.335 -4.420 2.291 1.00 30.51 O ATOM 486 CB SER A 32 9.757 -1.218 2.885 1.00 52.12 C ATOM 487 OG SER A 32 9.307 -1.178 1.542 1.00 54.11 O ATOM 0 H SER A 32 11.162 -3.531 4.239 1.00 11.55 H new ATOM 0 HA SER A 32 8.466 -2.510 4.017 1.00 52.24 H new ATOM 0 HB2 SER A 32 9.284 -0.418 3.454 1.00 52.12 H new ATOM 0 HB3 SER A 32 10.832 -1.039 2.917 1.00 52.12 H new ATOM 0 HG SER A 32 9.520 -0.305 1.151 1.00 54.11 H new ATOM 493 N GLY A 33 8.267 -3.720 1.748 1.00 1.31 N ATOM 494 CA GLY A 33 8.108 -4.718 0.706 1.00 55.30 C ATOM 495 C GLY A 33 9.063 -4.504 -0.451 1.00 2.44 C ATOM 496 O GLY A 33 9.478 -5.458 -1.109 1.00 22.34 O ATOM 0 H GLY A 33 7.468 -3.098 1.871 1.00 1.31 H new ATOM 0 HA2 GLY A 33 8.270 -5.709 1.129 1.00 55.30 H new ATOM 0 HA3 GLY A 33 7.083 -4.693 0.336 1.00 55.30 H new ATOM 500 N THR A 34 9.414 -3.246 -0.703 1.00 51.35 N ATOM 501 CA THR A 34 10.323 -2.909 -1.790 1.00 3.10 C ATOM 502 C THR A 34 11.739 -2.682 -1.273 1.00 64.01 C ATOM 503 O THR A 34 12.446 -1.787 -1.737 1.00 73.14 O ATOM 504 CB THR A 34 9.856 -1.649 -2.543 1.00 42.35 C ATOM 505 OG1 THR A 34 9.988 -0.498 -1.701 1.00 2.24 O ATOM 506 CG2 THR A 34 8.410 -1.792 -2.992 1.00 32.33 C ATOM 0 H THR A 34 9.081 -2.444 -0.168 1.00 51.35 H new ATOM 0 HA THR A 34 10.321 -3.756 -2.477 1.00 3.10 H new ATOM 0 HB THR A 34 10.483 -1.527 -3.426 1.00 42.35 H new ATOM 0 HG1 THR A 34 9.691 0.299 -2.187 1.00 2.24 H new ATOM 0 HG21 THR A 34 8.103 -0.890 -3.521 1.00 32.33 H new ATOM 0 HG22 THR A 34 8.319 -2.652 -3.656 1.00 32.33 H new ATOM 0 HG23 THR A 34 7.771 -1.937 -2.121 1.00 32.33 H new ATOM 514 N THR A 35 12.150 -3.500 -0.308 1.00 44.01 N ATOM 515 CA THR A 35 13.481 -3.389 0.273 1.00 42.43 C ATOM 516 C THR A 35 14.219 -4.721 0.217 1.00 0.31 C ATOM 517 O THR A 35 13.895 -5.652 0.952 1.00 42.14 O ATOM 518 CB THR A 35 13.418 -2.912 1.736 1.00 23.32 C ATOM 519 OG1 THR A 35 12.795 -1.624 1.805 1.00 14.23 O ATOM 520 CG2 THR A 35 14.811 -2.840 2.343 1.00 52.31 C ATOM 0 H THR A 35 11.579 -4.247 0.087 1.00 44.01 H new ATOM 0 HA THR A 35 14.023 -2.651 -0.319 1.00 42.43 H new ATOM 0 HB THR A 35 12.828 -3.632 2.304 1.00 23.32 H new ATOM 0 HG1 THR A 35 13.033 -1.190 2.651 1.00 14.23 H new ATOM 0 HG21 THR A 35 14.740 -2.501 3.376 1.00 52.31 H new ATOM 0 HG22 THR A 35 15.271 -3.828 2.316 1.00 52.31 H new ATOM 0 HG23 THR A 35 15.421 -2.140 1.772 1.00 52.31 H new ATOM 528 N ASN A 36 15.214 -4.805 -0.661 1.00 22.34 N ATOM 529 CA ASN A 36 15.998 -6.025 -0.813 1.00 3.42 C ATOM 530 C ASN A 36 16.564 -6.479 0.529 1.00 24.22 C ATOM 531 O ASN A 36 17.529 -5.903 1.034 1.00 54.35 O ATOM 532 CB ASN A 36 17.137 -5.803 -1.811 1.00 23.01 C ATOM 533 CG ASN A 36 17.801 -7.101 -2.229 1.00 71.14 C ATOM 534 OD1 ASN A 36 17.509 -8.165 -1.682 1.00 42.21 O ATOM 535 ND2 ASN A 36 18.699 -7.019 -3.203 1.00 21.54 N ATOM 0 H ASN A 36 15.496 -4.043 -1.277 1.00 22.34 H new ATOM 0 HA ASN A 36 15.339 -6.806 -1.192 1.00 3.42 H new ATOM 0 HB2 ASN A 36 16.749 -5.296 -2.694 1.00 23.01 H new ATOM 0 HB3 ASN A 36 17.882 -5.143 -1.367 1.00 23.01 H new ATOM 0 HD21 ASN A 36 19.178 -7.859 -3.527 1.00 21.54 H new ATOM 0 HD22 ASN A 36 18.910 -6.116 -3.628 1.00 21.54 H new ATOM 542 N LEU A 37 15.959 -7.513 1.101 1.00 42.04 N ATOM 543 CA LEU A 37 16.403 -8.045 2.385 1.00 41.12 C ATOM 544 C LEU A 37 17.776 -8.698 2.259 1.00 34.43 C ATOM 545 O LEU A 37 18.422 -9.004 3.260 1.00 41.43 O ATOM 546 CB LEU A 37 15.390 -9.061 2.916 1.00 32.32 C ATOM 547 CG LEU A 37 13.919 -8.651 2.830 1.00 23.33 C ATOM 548 CD1 LEU A 37 13.015 -9.836 3.132 1.00 44.55 C ATOM 549 CD2 LEU A 37 13.630 -7.500 3.783 1.00 73.30 C ATOM 0 H LEU A 37 15.159 -8.000 0.697 1.00 42.04 H new ATOM 0 HA LEU A 37 16.479 -7.215 3.087 1.00 41.12 H new ATOM 0 HB2 LEU A 37 15.519 -9.994 2.367 1.00 32.32 H new ATOM 0 HB3 LEU A 37 15.628 -9.270 3.959 1.00 32.32 H new ATOM 0 HG LEU A 37 13.714 -8.315 1.813 1.00 23.33 H new ATOM 0 HD11 LEU A 37 11.973 -9.525 3.066 1.00 44.55 H new ATOM 0 HD12 LEU A 37 13.203 -10.630 2.410 1.00 44.55 H new ATOM 0 HD13 LEU A 37 13.221 -10.204 4.137 1.00 44.55 H new ATOM 0 HD21 LEU A 37 12.579 -7.221 3.709 1.00 73.30 H new ATOM 0 HD22 LEU A 37 13.852 -7.809 4.804 1.00 73.30 H new ATOM 0 HD23 LEU A 37 14.252 -6.644 3.519 1.00 73.30 H new ATOM 561 N ALA A 38 18.215 -8.905 1.022 1.00 11.43 N ATOM 562 CA ALA A 38 19.513 -9.516 0.765 1.00 64.01 C ATOM 563 C ALA A 38 20.626 -8.474 0.790 1.00 74.52 C ATOM 564 O ALA A 38 21.673 -8.683 1.402 1.00 11.43 O ATOM 565 CB ALA A 38 19.499 -10.243 -0.572 1.00 72.25 C ATOM 0 H ALA A 38 17.691 -8.659 0.182 1.00 11.43 H new ATOM 0 HA ALA A 38 19.709 -10.238 1.557 1.00 64.01 H new ATOM 0 HB1 ALA A 38 20.475 -10.694 -0.751 1.00 72.25 H new ATOM 0 HB2 ALA A 38 18.737 -11.022 -0.555 1.00 72.25 H new ATOM 0 HB3 ALA A 38 19.276 -9.534 -1.369 1.00 72.25 H new ATOM 571 N LYS A 39 20.393 -7.350 0.120 1.00 24.43 N ATOM 572 CA LYS A 39 21.375 -6.274 0.066 1.00 74.40 C ATOM 573 C LYS A 39 21.248 -5.360 1.281 1.00 20.11 C ATOM 574 O LYS A 39 22.232 -5.087 1.968 1.00 33.41 O ATOM 575 CB LYS A 39 21.199 -5.460 -1.218 1.00 32.01 C ATOM 576 CG LYS A 39 22.473 -4.778 -1.686 1.00 13.31 C ATOM 577 CD LYS A 39 22.480 -4.582 -3.193 1.00 0.14 C ATOM 578 CE LYS A 39 21.331 -3.695 -3.645 1.00 0.24 C ATOM 579 NZ LYS A 39 21.540 -3.177 -5.025 1.00 32.20 N ATOM 0 H LYS A 39 19.532 -7.161 -0.393 1.00 24.43 H new ATOM 0 HA LYS A 39 22.369 -6.722 0.072 1.00 74.40 H new ATOM 0 HB2 LYS A 39 20.838 -6.118 -2.008 1.00 32.01 H new ATOM 0 HB3 LYS A 39 20.431 -4.704 -1.056 1.00 32.01 H new ATOM 0 HG2 LYS A 39 22.572 -3.811 -1.192 1.00 13.31 H new ATOM 0 HG3 LYS A 39 23.336 -5.376 -1.392 1.00 13.31 H new ATOM 0 HD2 LYS A 39 23.427 -4.137 -3.499 1.00 0.14 H new ATOM 0 HD3 LYS A 39 22.409 -5.551 -3.687 1.00 0.14 H new ATOM 0 HE2 LYS A 39 20.399 -4.260 -3.606 1.00 0.24 H new ATOM 0 HE3 LYS A 39 21.225 -2.858 -2.955 1.00 0.24 H new ATOM 0 HZ1 LYS A 39 20.735 -2.577 -5.296 1.00 32.20 H new ATOM 0 HZ2 LYS A 39 22.416 -2.617 -5.057 1.00 32.20 H new ATOM 0 HZ3 LYS A 39 21.615 -3.975 -5.688 1.00 32.20 H new ATOM 593 N ASP A 40 20.032 -4.893 1.539 1.00 63.34 N ATOM 594 CA ASP A 40 19.777 -4.012 2.673 1.00 12.34 C ATOM 595 C ASP A 40 20.355 -4.598 3.958 1.00 41.35 C ATOM 596 O ASP A 40 21.251 -4.016 4.570 1.00 11.14 O ATOM 597 CB ASP A 40 18.275 -3.777 2.836 1.00 60.32 C ATOM 598 CG ASP A 40 17.965 -2.459 3.519 1.00 10.42 C ATOM 599 OD1 ASP A 40 18.527 -1.427 3.098 1.00 43.03 O ATOM 600 OD2 ASP A 40 17.162 -2.461 4.476 1.00 22.23 O ATOM 0 H ASP A 40 19.207 -5.109 0.979 1.00 63.34 H new ATOM 0 HA ASP A 40 20.267 -3.058 2.477 1.00 12.34 H new ATOM 0 HB2 ASP A 40 17.799 -3.795 1.856 1.00 60.32 H new ATOM 0 HB3 ASP A 40 17.843 -4.593 3.415 1.00 60.32 H new ATOM 605 N PHE A 41 19.835 -5.753 4.361 1.00 51.23 N ATOM 606 CA PHE A 41 20.298 -6.417 5.574 1.00 55.34 C ATOM 607 C PHE A 41 21.615 -7.147 5.326 1.00 13.42 C ATOM 608 O PHE A 41 22.206 -7.713 6.245 1.00 4.32 O ATOM 609 CB PHE A 41 19.241 -7.404 6.075 1.00 32.53 C ATOM 610 CG PHE A 41 17.983 -6.741 6.558 1.00 72.32 C ATOM 611 CD1 PHE A 41 18.033 -5.759 7.534 1.00 12.33 C ATOM 612 CD2 PHE A 41 16.751 -7.100 6.036 1.00 73.13 C ATOM 613 CE1 PHE A 41 16.876 -5.148 7.981 1.00 51.15 C ATOM 614 CE2 PHE A 41 15.591 -6.492 6.478 1.00 63.51 C ATOM 615 CZ PHE A 41 15.654 -5.514 7.451 1.00 32.44 C ATOM 0 H PHE A 41 19.093 -6.248 3.866 1.00 51.23 H new ATOM 0 HA PHE A 41 20.464 -5.655 6.335 1.00 55.34 H new ATOM 0 HB2 PHE A 41 18.992 -8.096 5.271 1.00 32.53 H new ATOM 0 HB3 PHE A 41 19.664 -7.997 6.886 1.00 32.53 H new ATOM 0 HD1 PHE A 41 18.986 -5.468 7.950 1.00 12.33 H new ATOM 0 HD2 PHE A 41 16.696 -7.864 5.275 1.00 73.13 H new ATOM 0 HE1 PHE A 41 16.928 -4.385 8.744 1.00 51.15 H new ATOM 0 HE2 PHE A 41 14.637 -6.781 6.063 1.00 63.51 H new ATOM 0 HZ PHE A 41 14.749 -5.036 7.797 1.00 32.44 H new ATOM 625 N ASN A 42 22.068 -7.129 4.076 1.00 62.01 N ATOM 626 CA ASN A 42 23.314 -7.790 3.706 1.00 43.41 C ATOM 627 C ASN A 42 23.332 -9.234 4.200 1.00 32.20 C ATOM 628 O ASN A 42 24.311 -9.685 4.796 1.00 14.03 O ATOM 629 CB ASN A 42 24.510 -7.028 4.280 1.00 74.50 C ATOM 630 CG ASN A 42 25.761 -7.199 3.440 1.00 43.04 C ATOM 631 OD1 ASN A 42 26.711 -7.866 3.851 1.00 64.32 O ATOM 632 ND2 ASN A 42 25.767 -6.596 2.257 1.00 71.31 N ATOM 0 H ASN A 42 21.591 -6.664 3.303 1.00 62.01 H new ATOM 0 HA ASN A 42 23.384 -7.796 2.618 1.00 43.41 H new ATOM 0 HB2 ASN A 42 24.263 -5.968 4.348 1.00 74.50 H new ATOM 0 HB3 ASN A 42 24.706 -7.376 5.294 1.00 74.50 H new ATOM 0 HD21 ASN A 42 26.581 -6.676 1.648 1.00 71.31 H new ATOM 0 HD22 ASN A 42 24.957 -6.053 1.957 1.00 71.31 H new ATOM 639 N LEU A 43 22.244 -9.953 3.948 1.00 0.14 N ATOM 640 CA LEU A 43 22.134 -11.346 4.366 1.00 4.12 C ATOM 641 C LEU A 43 23.252 -12.187 3.759 1.00 55.50 C ATOM 642 O LEU A 43 23.743 -11.891 2.669 1.00 12.51 O ATOM 643 CB LEU A 43 20.774 -11.916 3.960 1.00 2.23 C ATOM 644 CG LEU A 43 19.572 -11.422 4.765 1.00 32.43 C ATOM 645 CD1 LEU A 43 18.275 -11.924 4.151 1.00 22.23 C ATOM 646 CD2 LEU A 43 19.683 -11.866 6.216 1.00 61.35 C ATOM 0 H LEU A 43 21.425 -9.594 3.456 1.00 0.14 H new ATOM 0 HA LEU A 43 22.226 -11.381 5.452 1.00 4.12 H new ATOM 0 HB2 LEU A 43 20.603 -11.682 2.909 1.00 2.23 H new ATOM 0 HB3 LEU A 43 20.819 -13.002 4.041 1.00 2.23 H new ATOM 0 HG LEU A 43 19.565 -10.332 4.738 1.00 32.43 H new ATOM 0 HD11 LEU A 43 17.431 -11.562 4.738 1.00 22.23 H new ATOM 0 HD12 LEU A 43 18.190 -11.556 3.128 1.00 22.23 H new ATOM 0 HD13 LEU A 43 18.273 -13.014 4.146 1.00 22.23 H new ATOM 0 HD21 LEU A 43 18.819 -11.505 6.774 1.00 61.35 H new ATOM 0 HD22 LEU A 43 19.716 -12.955 6.262 1.00 61.35 H new ATOM 0 HD23 LEU A 43 20.594 -11.457 6.653 1.00 61.35 H new ATOM 658 N ASP A 44 23.649 -13.237 4.469 1.00 13.11 N ATOM 659 CA ASP A 44 24.707 -14.123 3.999 1.00 72.53 C ATOM 660 C ASP A 44 24.147 -15.187 3.060 1.00 75.24 C ATOM 661 O ASP A 44 22.967 -15.532 3.129 1.00 40.44 O ATOM 662 CB ASP A 44 25.408 -14.789 5.183 1.00 51.15 C ATOM 663 CG ASP A 44 26.733 -15.415 4.794 1.00 21.20 C ATOM 664 OD1 ASP A 44 27.362 -14.925 3.833 1.00 30.42 O ATOM 665 OD2 ASP A 44 27.142 -16.394 5.452 1.00 63.34 O ATOM 0 H ASP A 44 23.254 -13.495 5.373 1.00 13.11 H new ATOM 0 HA ASP A 44 25.432 -13.523 3.449 1.00 72.53 H new ATOM 0 HB2 ASP A 44 25.575 -14.049 5.966 1.00 51.15 H new ATOM 0 HB3 ASP A 44 24.757 -15.556 5.603 1.00 51.15 H new ATOM 670 N SER A 45 25.001 -15.703 2.181 1.00 65.32 N ATOM 671 CA SER A 45 24.590 -16.724 1.225 1.00 60.12 C ATOM 672 C SER A 45 23.969 -17.920 1.940 1.00 31.24 C ATOM 673 O SER A 45 23.154 -18.646 1.369 1.00 40.22 O ATOM 674 CB SER A 45 25.788 -17.181 0.389 1.00 63.42 C ATOM 675 OG SER A 45 26.826 -17.678 1.216 1.00 12.42 O ATOM 0 H SER A 45 25.981 -15.430 2.112 1.00 65.32 H new ATOM 0 HA SER A 45 23.840 -16.288 0.565 1.00 60.12 H new ATOM 0 HB2 SER A 45 25.473 -17.956 -0.310 1.00 63.42 H new ATOM 0 HB3 SER A 45 26.160 -16.347 -0.206 1.00 63.42 H new ATOM 0 HG SER A 45 27.579 -17.965 0.659 1.00 12.42 H new ATOM 681 N LEU A 46 24.359 -18.119 3.194 1.00 71.33 N ATOM 682 CA LEU A 46 23.841 -19.227 3.990 1.00 25.25 C ATOM 683 C LEU A 46 22.396 -18.970 4.406 1.00 62.14 C ATOM 684 O LEU A 46 21.532 -19.833 4.251 1.00 62.33 O ATOM 685 CB LEU A 46 24.710 -19.440 5.230 1.00 13.24 C ATOM 686 CG LEU A 46 26.189 -19.729 4.972 1.00 31.11 C ATOM 687 CD1 LEU A 46 27.008 -19.494 6.232 1.00 42.14 C ATOM 688 CD2 LEU A 46 26.374 -21.154 4.471 1.00 75.23 C ATOM 0 H LEU A 46 25.032 -17.528 3.682 1.00 71.33 H new ATOM 0 HA LEU A 46 23.868 -20.127 3.376 1.00 25.25 H new ATOM 0 HB2 LEU A 46 24.638 -18.551 5.856 1.00 13.24 H new ATOM 0 HB3 LEU A 46 24.293 -20.268 5.803 1.00 13.24 H new ATOM 0 HG LEU A 46 26.544 -19.045 4.201 1.00 31.11 H new ATOM 0 HD11 LEU A 46 28.058 -19.705 6.028 1.00 42.14 H new ATOM 0 HD12 LEU A 46 26.901 -18.456 6.547 1.00 42.14 H new ATOM 0 HD13 LEU A 46 26.653 -20.152 7.025 1.00 42.14 H new ATOM 0 HD21 LEU A 46 27.433 -21.342 4.293 1.00 75.23 H new ATOM 0 HD22 LEU A 46 26.002 -21.854 5.219 1.00 75.23 H new ATOM 0 HD23 LEU A 46 25.820 -21.288 3.542 1.00 75.23 H new ATOM 700 N ASP A 47 22.141 -17.777 4.932 1.00 2.12 N ATOM 701 CA ASP A 47 20.800 -17.404 5.367 1.00 55.22 C ATOM 702 C ASP A 47 19.811 -17.482 4.208 1.00 62.23 C ATOM 703 O ASP A 47 18.736 -18.069 4.334 1.00 64.30 O ATOM 704 CB ASP A 47 20.805 -15.992 5.956 1.00 35.55 C ATOM 705 CG ASP A 47 20.368 -15.968 7.407 1.00 1.24 C ATOM 706 OD1 ASP A 47 20.647 -16.949 8.128 1.00 22.24 O ATOM 707 OD2 ASP A 47 19.746 -14.968 7.822 1.00 73.34 O ATOM 0 H ASP A 47 22.845 -17.052 5.067 1.00 2.12 H new ATOM 0 HA ASP A 47 20.486 -18.109 6.137 1.00 55.22 H new ATOM 0 HB2 ASP A 47 21.807 -15.571 5.875 1.00 35.55 H new ATOM 0 HB3 ASP A 47 20.143 -15.355 5.370 1.00 35.55 H new ATOM 712 N PHE A 48 20.182 -16.885 3.080 1.00 64.30 N ATOM 713 CA PHE A 48 19.327 -16.884 1.899 1.00 64.44 C ATOM 714 C PHE A 48 18.878 -18.301 1.552 1.00 11.41 C ATOM 715 O PHE A 48 17.705 -18.540 1.267 1.00 74.22 O ATOM 716 CB PHE A 48 20.064 -16.265 0.710 1.00 22.22 C ATOM 717 CG PHE A 48 19.148 -15.779 -0.377 1.00 52.44 C ATOM 718 CD1 PHE A 48 18.483 -14.570 -0.251 1.00 63.45 C ATOM 719 CD2 PHE A 48 18.952 -16.531 -1.523 1.00 12.05 C ATOM 720 CE1 PHE A 48 17.640 -14.119 -1.249 1.00 14.24 C ATOM 721 CE2 PHE A 48 18.110 -16.086 -2.525 1.00 10.41 C ATOM 722 CZ PHE A 48 17.452 -14.879 -2.387 1.00 43.02 C ATOM 0 H PHE A 48 21.069 -16.396 2.959 1.00 64.30 H new ATOM 0 HA PHE A 48 18.444 -16.285 2.121 1.00 64.44 H new ATOM 0 HB2 PHE A 48 20.670 -15.431 1.063 1.00 22.22 H new ATOM 0 HB3 PHE A 48 20.749 -17.003 0.293 1.00 22.22 H new ATOM 0 HD1 PHE A 48 18.625 -13.973 0.638 1.00 63.45 H new ATOM 0 HD2 PHE A 48 19.463 -17.476 -1.635 1.00 12.05 H new ATOM 0 HE1 PHE A 48 17.129 -13.174 -1.139 1.00 14.24 H new ATOM 0 HE2 PHE A 48 17.967 -16.681 -3.415 1.00 10.41 H new ATOM 0 HZ PHE A 48 16.792 -14.530 -3.167 1.00 43.02 H new ATOM 732 N VAL A 49 19.822 -19.237 1.577 1.00 31.14 N ATOM 733 CA VAL A 49 19.525 -20.630 1.266 1.00 4.02 C ATOM 734 C VAL A 49 18.411 -21.167 2.157 1.00 75.11 C ATOM 735 O VAL A 49 17.424 -21.718 1.671 1.00 13.45 O ATOM 736 CB VAL A 49 20.772 -21.520 1.428 1.00 23.20 C ATOM 737 CG1 VAL A 49 20.419 -22.982 1.201 1.00 42.05 C ATOM 738 CG2 VAL A 49 21.871 -21.074 0.476 1.00 40.22 C ATOM 0 H VAL A 49 20.798 -19.056 1.809 1.00 31.14 H new ATOM 0 HA VAL A 49 19.200 -20.659 0.226 1.00 4.02 H new ATOM 0 HB VAL A 49 21.142 -21.415 2.448 1.00 23.20 H new ATOM 0 HG11 VAL A 49 21.313 -23.595 1.320 1.00 42.05 H new ATOM 0 HG12 VAL A 49 19.667 -23.292 1.927 1.00 42.05 H new ATOM 0 HG13 VAL A 49 20.024 -23.109 0.193 1.00 42.05 H new ATOM 0 HG21 VAL A 49 22.745 -21.713 0.604 1.00 40.22 H new ATOM 0 HG22 VAL A 49 21.514 -21.148 -0.551 1.00 40.22 H new ATOM 0 HG23 VAL A 49 22.143 -20.041 0.693 1.00 40.22 H new ATOM 748 N ASP A 50 18.577 -21.002 3.465 1.00 22.50 N ATOM 749 CA ASP A 50 17.585 -21.469 4.426 1.00 13.12 C ATOM 750 C ASP A 50 16.244 -20.775 4.204 1.00 71.13 C ATOM 751 O ASP A 50 15.185 -21.352 4.456 1.00 54.43 O ATOM 752 CB ASP A 50 18.071 -21.221 5.855 1.00 0.42 C ATOM 753 CG ASP A 50 19.150 -22.200 6.277 1.00 65.22 C ATOM 754 OD1 ASP A 50 19.878 -22.697 5.394 1.00 24.13 O ATOM 755 OD2 ASP A 50 19.264 -22.469 7.492 1.00 60.22 O ATOM 0 H ASP A 50 19.389 -20.548 3.884 1.00 22.50 H new ATOM 0 HA ASP A 50 17.448 -22.540 4.278 1.00 13.12 H new ATOM 0 HB2 ASP A 50 18.456 -20.204 5.934 1.00 0.42 H new ATOM 0 HB3 ASP A 50 17.227 -21.296 6.541 1.00 0.42 H new ATOM 760 N LEU A 51 16.298 -19.535 3.733 1.00 21.14 N ATOM 761 CA LEU A 51 15.088 -18.760 3.478 1.00 73.32 C ATOM 762 C LEU A 51 14.284 -19.368 2.332 1.00 12.04 C ATOM 763 O LEU A 51 13.121 -19.735 2.503 1.00 41.05 O ATOM 764 CB LEU A 51 15.446 -17.310 3.151 1.00 42.44 C ATOM 765 CG LEU A 51 15.405 -16.328 4.323 1.00 31.31 C ATOM 766 CD1 LEU A 51 16.375 -15.180 4.092 1.00 12.25 C ATOM 767 CD2 LEU A 51 13.991 -15.802 4.528 1.00 62.45 C ATOM 0 H LEU A 51 17.166 -19.044 3.520 1.00 21.14 H new ATOM 0 HA LEU A 51 14.476 -18.782 4.380 1.00 73.32 H new ATOM 0 HB2 LEU A 51 16.448 -17.292 2.723 1.00 42.44 H new ATOM 0 HB3 LEU A 51 14.763 -16.953 2.380 1.00 42.44 H new ATOM 0 HG LEU A 51 15.709 -16.857 5.226 1.00 31.31 H new ATOM 0 HD11 LEU A 51 16.332 -14.492 4.936 1.00 12.25 H new ATOM 0 HD12 LEU A 51 17.387 -15.573 3.995 1.00 12.25 H new ATOM 0 HD13 LEU A 51 16.102 -14.651 3.179 1.00 12.25 H new ATOM 0 HD21 LEU A 51 13.980 -15.105 5.366 1.00 62.45 H new ATOM 0 HD22 LEU A 51 13.659 -15.290 3.625 1.00 62.45 H new ATOM 0 HD23 LEU A 51 13.320 -16.635 4.740 1.00 62.45 H new ATOM 779 N ILE A 52 14.912 -19.472 1.166 1.00 42.41 N ATOM 780 CA ILE A 52 14.257 -20.038 -0.006 1.00 64.52 C ATOM 781 C ILE A 52 13.794 -21.466 0.259 1.00 62.04 C ATOM 782 O ILE A 52 12.725 -21.877 -0.192 1.00 73.21 O ATOM 783 CB ILE A 52 15.190 -20.032 -1.231 1.00 52.01 C ATOM 784 CG1 ILE A 52 16.506 -20.738 -0.901 1.00 60.25 C ATOM 785 CG2 ILE A 52 15.449 -18.605 -1.692 1.00 40.14 C ATOM 786 CD1 ILE A 52 17.518 -20.688 -2.024 1.00 45.42 C ATOM 0 H ILE A 52 15.874 -19.172 1.008 1.00 42.41 H new ATOM 0 HA ILE A 52 13.391 -19.411 -0.216 1.00 64.52 H new ATOM 0 HB ILE A 52 14.703 -20.573 -2.043 1.00 52.01 H new ATOM 0 HG12 ILE A 52 16.940 -20.282 -0.011 1.00 60.25 H new ATOM 0 HG13 ILE A 52 16.298 -21.780 -0.656 1.00 60.25 H new ATOM 0 HG21 ILE A 52 16.110 -18.617 -2.559 1.00 40.14 H new ATOM 0 HG22 ILE A 52 14.505 -18.133 -1.963 1.00 40.14 H new ATOM 0 HG23 ILE A 52 15.918 -18.042 -0.885 1.00 40.14 H new ATOM 0 HD11 ILE A 52 18.426 -21.208 -1.719 1.00 45.42 H new ATOM 0 HD12 ILE A 52 17.103 -21.170 -2.909 1.00 45.42 H new ATOM 0 HD13 ILE A 52 17.755 -19.649 -2.254 1.00 45.42 H new ATOM 798 N MET A 53 14.605 -22.219 0.995 1.00 51.11 N ATOM 799 CA MET A 53 14.277 -23.601 1.323 1.00 32.40 C ATOM 800 C MET A 53 13.089 -23.666 2.277 1.00 13.42 C ATOM 801 O MET A 53 12.222 -24.530 2.146 1.00 74.24 O ATOM 802 CB MET A 53 15.486 -24.300 1.947 1.00 44.13 C ATOM 803 CG MET A 53 16.579 -24.636 0.945 1.00 25.10 C ATOM 804 SD MET A 53 17.230 -26.304 1.160 1.00 72.30 S ATOM 805 CE MET A 53 15.755 -27.282 0.886 1.00 3.12 C ATOM 0 H MET A 53 15.494 -21.895 1.375 1.00 51.11 H new ATOM 0 HA MET A 53 14.007 -24.113 0.400 1.00 32.40 H new ATOM 0 HB2 MET A 53 15.903 -23.661 2.726 1.00 44.13 H new ATOM 0 HB3 MET A 53 15.154 -25.218 2.432 1.00 44.13 H new ATOM 0 HG2 MET A 53 16.184 -24.532 -0.066 1.00 25.10 H new ATOM 0 HG3 MET A 53 17.392 -23.917 1.046 1.00 25.10 H new ATOM 0 HE1 MET A 53 16.035 -28.261 0.496 1.00 3.12 H new ATOM 0 HE2 MET A 53 15.220 -27.406 1.828 1.00 3.12 H new ATOM 0 HE3 MET A 53 15.111 -26.776 0.167 1.00 3.12 H new ATOM 815 N SER A 54 13.056 -22.748 3.238 1.00 2.33 N ATOM 816 CA SER A 54 11.976 -22.704 4.217 1.00 62.54 C ATOM 817 C SER A 54 10.637 -22.436 3.537 1.00 44.30 C ATOM 818 O SER A 54 9.674 -23.182 3.719 1.00 20.01 O ATOM 819 CB SER A 54 12.254 -21.626 5.266 1.00 71.54 C ATOM 820 OG SER A 54 13.095 -22.119 6.294 1.00 73.12 O ATOM 0 H SER A 54 13.765 -22.025 3.359 1.00 2.33 H new ATOM 0 HA SER A 54 11.925 -23.675 4.710 1.00 62.54 H new ATOM 0 HB2 SER A 54 12.722 -20.764 4.791 1.00 71.54 H new ATOM 0 HB3 SER A 54 11.313 -21.281 5.696 1.00 71.54 H new ATOM 0 HG SER A 54 14.032 -22.027 6.022 1.00 73.12 H new ATOM 826 N LEU A 55 10.584 -21.365 2.752 1.00 14.25 N ATOM 827 CA LEU A 55 9.363 -20.996 2.043 1.00 10.24 C ATOM 828 C LEU A 55 8.994 -22.054 1.007 1.00 75.25 C ATOM 829 O LEU A 55 7.818 -22.352 0.804 1.00 71.11 O ATOM 830 CB LEU A 55 9.537 -19.638 1.362 1.00 41.14 C ATOM 831 CG LEU A 55 9.148 -18.415 2.194 1.00 21.31 C ATOM 832 CD1 LEU A 55 9.622 -17.137 1.519 1.00 72.20 C ATOM 833 CD2 LEU A 55 7.643 -18.377 2.417 1.00 42.13 C ATOM 0 H LEU A 55 11.372 -20.737 2.590 1.00 14.25 H new ATOM 0 HA LEU A 55 8.555 -20.930 2.771 1.00 10.24 H new ATOM 0 HB2 LEU A 55 10.581 -19.534 1.066 1.00 41.14 H new ATOM 0 HB3 LEU A 55 8.944 -19.634 0.447 1.00 41.14 H new ATOM 0 HG LEU A 55 9.636 -18.491 3.165 1.00 21.31 H new ATOM 0 HD11 LEU A 55 9.336 -16.278 2.126 1.00 72.20 H new ATOM 0 HD12 LEU A 55 10.707 -17.162 1.413 1.00 72.20 H new ATOM 0 HD13 LEU A 55 9.163 -17.054 0.534 1.00 72.20 H new ATOM 0 HD21 LEU A 55 7.385 -17.500 3.011 1.00 42.13 H new ATOM 0 HD22 LEU A 55 7.134 -18.326 1.455 1.00 42.13 H new ATOM 0 HD23 LEU A 55 7.331 -19.278 2.946 1.00 42.13 H new ATOM 845 N GLU A 56 10.008 -22.618 0.358 1.00 54.04 N ATOM 846 CA GLU A 56 9.789 -23.643 -0.656 1.00 2.32 C ATOM 847 C GLU A 56 9.043 -24.838 -0.068 1.00 62.44 C ATOM 848 O GLU A 56 8.026 -25.273 -0.607 1.00 54.25 O ATOM 849 CB GLU A 56 11.124 -24.101 -1.246 1.00 1.43 C ATOM 850 CG GLU A 56 10.980 -25.157 -2.329 1.00 42.31 C ATOM 851 CD GLU A 56 12.253 -25.953 -2.541 1.00 5.51 C ATOM 852 OE1 GLU A 56 13.314 -25.517 -2.046 1.00 14.34 O ATOM 853 OE2 GLU A 56 12.190 -27.010 -3.202 1.00 62.11 O ATOM 0 H GLU A 56 10.988 -22.383 0.516 1.00 54.04 H new ATOM 0 HA GLU A 56 9.179 -23.210 -1.449 1.00 2.32 H new ATOM 0 HB2 GLU A 56 11.644 -23.237 -1.659 1.00 1.43 H new ATOM 0 HB3 GLU A 56 11.749 -24.497 -0.445 1.00 1.43 H new ATOM 0 HG2 GLU A 56 10.171 -25.837 -2.063 1.00 42.31 H new ATOM 0 HG3 GLU A 56 10.697 -24.676 -3.265 1.00 42.31 H new ATOM 860 N GLU A 57 9.558 -25.363 1.039 1.00 54.50 N ATOM 861 CA GLU A 57 8.942 -26.509 1.698 1.00 24.33 C ATOM 862 C GLU A 57 7.635 -26.108 2.377 1.00 63.24 C ATOM 863 O GLU A 57 6.719 -26.919 2.511 1.00 51.32 O ATOM 864 CB GLU A 57 9.901 -27.109 2.728 1.00 70.42 C ATOM 865 CG GLU A 57 10.120 -26.225 3.944 1.00 45.51 C ATOM 866 CD GLU A 57 10.952 -26.902 5.016 1.00 41.40 C ATOM 867 OE1 GLU A 57 11.727 -27.820 4.675 1.00 54.52 O ATOM 868 OE2 GLU A 57 10.828 -26.513 6.196 1.00 54.44 O ATOM 0 H GLU A 57 10.399 -25.014 1.498 1.00 54.50 H new ATOM 0 HA GLU A 57 8.722 -27.258 0.938 1.00 24.33 H new ATOM 0 HB2 GLU A 57 9.512 -28.073 3.056 1.00 70.42 H new ATOM 0 HB3 GLU A 57 10.862 -27.299 2.250 1.00 70.42 H new ATOM 0 HG2 GLU A 57 10.613 -25.304 3.634 1.00 45.51 H new ATOM 0 HG3 GLU A 57 9.154 -25.944 4.363 1.00 45.51 H new ATOM 875 N ARG A 58 7.558 -24.851 2.804 1.00 53.32 N ATOM 876 CA ARG A 58 6.366 -24.342 3.470 1.00 13.33 C ATOM 877 C ARG A 58 5.150 -24.430 2.551 1.00 74.53 C ATOM 878 O ARG A 58 4.150 -25.065 2.887 1.00 31.54 O ATOM 879 CB ARG A 58 6.581 -22.894 3.911 1.00 54.15 C ATOM 880 CG ARG A 58 5.389 -22.296 4.642 1.00 74.42 C ATOM 881 CD ARG A 58 5.571 -22.361 6.150 1.00 52.45 C ATOM 882 NE ARG A 58 4.299 -22.535 6.847 1.00 53.44 N ATOM 883 CZ ARG A 58 3.674 -23.702 6.956 1.00 23.30 C ATOM 884 NH1 ARG A 58 4.201 -24.793 6.417 1.00 42.21 N ATOM 885 NH2 ARG A 58 2.520 -23.780 7.606 1.00 23.43 N ATOM 0 H ARG A 58 8.308 -24.167 2.700 1.00 53.32 H new ATOM 0 HA ARG A 58 6.181 -24.959 4.350 1.00 13.33 H new ATOM 0 HB2 ARG A 58 7.455 -22.847 4.560 1.00 54.15 H new ATOM 0 HB3 ARG A 58 6.802 -22.285 3.034 1.00 54.15 H new ATOM 0 HG2 ARG A 58 5.255 -21.259 4.335 1.00 74.42 H new ATOM 0 HG3 ARG A 58 4.482 -22.831 4.360 1.00 74.42 H new ATOM 0 HD2 ARG A 58 6.237 -23.187 6.400 1.00 52.45 H new ATOM 0 HD3 ARG A 58 6.053 -21.447 6.497 1.00 52.45 H new ATOM 0 HE ARG A 58 3.867 -21.715 7.273 1.00 53.44 H new ATOM 0 HH11 ARG A 58 5.088 -24.737 5.917 1.00 42.21 H new ATOM 0 HH12 ARG A 58 3.719 -25.688 6.502 1.00 42.21 H new ATOM 0 HH21 ARG A 58 2.112 -22.943 8.023 1.00 23.43 H new ATOM 0 HH22 ARG A 58 2.041 -24.677 7.689 1.00 23.43 H new ATOM 899 N PHE A 59 5.244 -23.789 1.391 1.00 13.35 N ATOM 900 CA PHE A 59 4.152 -23.793 0.425 1.00 45.43 C ATOM 901 C PHE A 59 4.352 -24.890 -0.617 1.00 63.14 C ATOM 902 O PHE A 59 3.653 -24.935 -1.629 1.00 53.21 O ATOM 903 CB PHE A 59 4.048 -22.432 -0.265 1.00 45.14 C ATOM 904 CG PHE A 59 3.619 -21.325 0.656 1.00 12.43 C ATOM 905 CD1 PHE A 59 4.546 -20.665 1.446 1.00 75.51 C ATOM 906 CD2 PHE A 59 2.289 -20.944 0.731 1.00 71.35 C ATOM 907 CE1 PHE A 59 4.156 -19.646 2.294 1.00 32.52 C ATOM 908 CE2 PHE A 59 1.892 -19.925 1.576 1.00 62.10 C ATOM 909 CZ PHE A 59 2.826 -19.276 2.359 1.00 34.21 C ATOM 0 H PHE A 59 6.065 -23.260 1.097 1.00 13.35 H new ATOM 0 HA PHE A 59 3.225 -23.991 0.963 1.00 45.43 H new ATOM 0 HB2 PHE A 59 5.015 -22.179 -0.699 1.00 45.14 H new ATOM 0 HB3 PHE A 59 3.338 -22.504 -1.089 1.00 45.14 H new ATOM 0 HD1 PHE A 59 5.587 -20.950 1.399 1.00 75.51 H new ATOM 0 HD2 PHE A 59 1.554 -21.449 0.122 1.00 71.35 H new ATOM 0 HE1 PHE A 59 4.889 -19.140 2.905 1.00 32.52 H new ATOM 0 HE2 PHE A 59 0.852 -19.637 1.624 1.00 62.10 H new ATOM 0 HZ PHE A 59 2.518 -18.480 3.021 1.00 34.21 H new ATOM 919 N SER A 60 5.313 -25.772 -0.362 1.00 31.03 N ATOM 920 CA SER A 60 5.610 -26.866 -1.279 1.00 23.01 C ATOM 921 C SER A 60 5.814 -26.345 -2.698 1.00 74.45 C ATOM 922 O SER A 60 5.528 -27.040 -3.674 1.00 64.52 O ATOM 923 CB SER A 60 4.479 -27.897 -1.259 1.00 35.11 C ATOM 924 OG SER A 60 4.032 -28.138 0.063 1.00 74.33 O ATOM 0 H SER A 60 5.899 -25.750 0.472 1.00 31.03 H new ATOM 0 HA SER A 60 6.533 -27.343 -0.950 1.00 23.01 H new ATOM 0 HB2 SER A 60 3.648 -27.541 -1.868 1.00 35.11 H new ATOM 0 HB3 SER A 60 4.825 -28.830 -1.705 1.00 35.11 H new ATOM 0 HG SER A 60 3.308 -28.799 0.048 1.00 74.33 H new ATOM 930 N LEU A 61 6.310 -25.118 -2.805 1.00 21.40 N ATOM 931 CA LEU A 61 6.554 -24.502 -4.105 1.00 71.22 C ATOM 932 C LEU A 61 7.814 -25.070 -4.749 1.00 54.53 C ATOM 933 O LEU A 61 8.706 -25.563 -4.060 1.00 0.43 O ATOM 934 CB LEU A 61 6.683 -22.985 -3.956 1.00 74.25 C ATOM 935 CG LEU A 61 6.984 -22.208 -5.238 1.00 13.52 C ATOM 936 CD1 LEU A 61 5.872 -22.405 -6.256 1.00 25.20 C ATOM 937 CD2 LEU A 61 7.175 -20.729 -4.933 1.00 62.50 C ATOM 0 H LEU A 61 6.551 -24.529 -2.008 1.00 21.40 H new ATOM 0 HA LEU A 61 5.705 -24.727 -4.751 1.00 71.22 H new ATOM 0 HB2 LEU A 61 5.755 -22.601 -3.532 1.00 74.25 H new ATOM 0 HB3 LEU A 61 7.473 -22.777 -3.235 1.00 74.25 H new ATOM 0 HG LEU A 61 7.910 -22.593 -5.664 1.00 13.52 H new ATOM 0 HD11 LEU A 61 6.104 -21.844 -7.161 1.00 25.20 H new ATOM 0 HD12 LEU A 61 5.783 -23.464 -6.498 1.00 25.20 H new ATOM 0 HD13 LEU A 61 4.930 -22.048 -5.840 1.00 25.20 H new ATOM 0 HD21 LEU A 61 7.388 -20.192 -5.857 1.00 62.50 H new ATOM 0 HD22 LEU A 61 6.266 -20.330 -4.483 1.00 62.50 H new ATOM 0 HD23 LEU A 61 8.008 -20.605 -4.241 1.00 62.50 H new ATOM 949 N GLU A 62 7.880 -24.995 -6.075 1.00 64.11 N ATOM 950 CA GLU A 62 9.032 -25.501 -6.812 1.00 40.54 C ATOM 951 C GLU A 62 9.918 -24.354 -7.291 1.00 32.21 C ATOM 952 O GLU A 62 9.679 -23.772 -8.349 1.00 65.30 O ATOM 953 CB GLU A 62 8.573 -26.339 -8.007 1.00 3.23 C ATOM 954 CG GLU A 62 8.205 -27.767 -7.643 1.00 44.02 C ATOM 955 CD GLU A 62 7.400 -28.457 -8.728 1.00 2.22 C ATOM 956 OE1 GLU A 62 6.667 -27.756 -9.458 1.00 33.24 O ATOM 957 OE2 GLU A 62 7.502 -29.695 -8.847 1.00 32.41 O ATOM 0 H GLU A 62 7.150 -24.589 -6.660 1.00 64.11 H new ATOM 0 HA GLU A 62 9.614 -26.130 -6.139 1.00 40.54 H new ATOM 0 HB2 GLU A 62 7.711 -25.857 -8.468 1.00 3.23 H new ATOM 0 HB3 GLU A 62 9.366 -26.356 -8.754 1.00 3.23 H new ATOM 0 HG2 GLU A 62 9.115 -28.336 -7.454 1.00 44.02 H new ATOM 0 HG3 GLU A 62 7.632 -27.765 -6.716 1.00 44.02 H new ATOM 964 N ILE A 63 10.940 -24.036 -6.504 1.00 12.34 N ATOM 965 CA ILE A 63 11.861 -22.960 -6.847 1.00 13.42 C ATOM 966 C ILE A 63 13.146 -23.510 -7.457 1.00 50.35 C ATOM 967 O ILE A 63 13.635 -24.565 -7.053 1.00 1.03 O ATOM 968 CB ILE A 63 12.215 -22.107 -5.615 1.00 13.21 C ATOM 969 CG1 ILE A 63 10.942 -21.591 -4.941 1.00 12.13 C ATOM 970 CG2 ILE A 63 13.116 -20.948 -6.014 1.00 44.33 C ATOM 971 CD1 ILE A 63 11.187 -20.956 -3.591 1.00 31.30 C ATOM 0 H ILE A 63 11.151 -24.508 -5.625 1.00 12.34 H new ATOM 0 HA ILE A 63 11.353 -22.332 -7.579 1.00 13.42 H new ATOM 0 HB ILE A 63 12.753 -22.732 -4.902 1.00 13.21 H new ATOM 0 HG12 ILE A 63 10.465 -20.861 -5.595 1.00 12.13 H new ATOM 0 HG13 ILE A 63 10.243 -22.419 -4.822 1.00 12.13 H new ATOM 0 HG21 ILE A 63 13.357 -20.354 -5.132 1.00 44.33 H new ATOM 0 HG22 ILE A 63 14.035 -21.336 -6.453 1.00 44.33 H new ATOM 0 HG23 ILE A 63 12.602 -20.322 -6.743 1.00 44.33 H new ATOM 0 HD11 ILE A 63 10.240 -20.613 -3.173 1.00 31.30 H new ATOM 0 HD12 ILE A 63 11.636 -21.689 -2.920 1.00 31.30 H new ATOM 0 HD13 ILE A 63 11.861 -20.107 -3.705 1.00 31.30 H new ATOM 983 N SER A 64 13.690 -22.787 -8.430 1.00 62.12 N ATOM 984 CA SER A 64 14.918 -23.203 -9.098 1.00 24.42 C ATOM 985 C SER A 64 16.064 -22.252 -8.769 1.00 43.13 C ATOM 986 O SER A 64 15.912 -21.335 -7.962 1.00 51.43 O ATOM 987 CB SER A 64 14.706 -23.261 -10.612 1.00 11.30 C ATOM 988 OG SER A 64 13.511 -23.950 -10.934 1.00 62.42 O ATOM 0 H SER A 64 13.300 -21.910 -8.774 1.00 62.12 H new ATOM 0 HA SER A 64 15.180 -24.198 -8.737 1.00 24.42 H new ATOM 0 HB2 SER A 64 14.666 -22.249 -11.016 1.00 11.30 H new ATOM 0 HB3 SER A 64 15.554 -23.759 -11.082 1.00 11.30 H new ATOM 0 HG SER A 64 12.754 -23.329 -10.894 1.00 62.42 H new ATOM 994 N ASP A 65 17.211 -22.478 -9.399 1.00 62.34 N ATOM 995 CA ASP A 65 18.385 -21.642 -9.176 1.00 23.42 C ATOM 996 C ASP A 65 18.240 -20.301 -9.889 1.00 74.13 C ATOM 997 O ASP A 65 18.586 -19.256 -9.340 1.00 54.05 O ATOM 998 CB ASP A 65 19.647 -22.357 -9.659 1.00 52.11 C ATOM 999 CG ASP A 65 20.874 -21.974 -8.855 1.00 70.32 C ATOM 1000 OD1 ASP A 65 20.850 -22.146 -7.618 1.00 71.50 O ATOM 1001 OD2 ASP A 65 21.858 -21.501 -9.462 1.00 61.43 O ATOM 0 H ASP A 65 17.353 -23.234 -10.069 1.00 62.34 H new ATOM 0 HA ASP A 65 18.470 -21.457 -8.105 1.00 23.42 H new ATOM 0 HB2 ASP A 65 19.497 -23.435 -9.596 1.00 52.11 H new ATOM 0 HB3 ASP A 65 19.816 -22.120 -10.709 1.00 52.11 H new ATOM 1006 N GLU A 66 17.728 -20.341 -11.115 1.00 21.54 N ATOM 1007 CA GLU A 66 17.541 -19.128 -11.903 1.00 3.53 C ATOM 1008 C GLU A 66 16.343 -18.330 -11.396 1.00 44.45 C ATOM 1009 O GLU A 66 16.332 -17.100 -11.459 1.00 51.24 O ATOM 1010 CB GLU A 66 17.346 -19.479 -13.380 1.00 13.04 C ATOM 1011 CG GLU A 66 18.623 -19.396 -14.199 1.00 65.22 C ATOM 1012 CD GLU A 66 18.356 -19.254 -15.684 1.00 70.22 C ATOM 1013 OE1 GLU A 66 17.356 -18.600 -16.048 1.00 75.31 O ATOM 1014 OE2 GLU A 66 19.147 -19.798 -16.484 1.00 23.41 O ATOM 0 H GLU A 66 17.436 -21.199 -11.584 1.00 21.54 H new ATOM 0 HA GLU A 66 18.436 -18.514 -11.797 1.00 3.53 H new ATOM 0 HB2 GLU A 66 16.942 -20.488 -13.455 1.00 13.04 H new ATOM 0 HB3 GLU A 66 16.604 -18.806 -13.810 1.00 13.04 H new ATOM 0 HG2 GLU A 66 19.215 -18.547 -13.857 1.00 65.22 H new ATOM 0 HG3 GLU A 66 19.220 -20.291 -14.025 1.00 65.22 H new ATOM 1021 N ASP A 67 15.337 -19.038 -10.894 1.00 50.34 N ATOM 1022 CA ASP A 67 14.135 -18.396 -10.376 1.00 4.40 C ATOM 1023 C ASP A 67 14.483 -17.398 -9.276 1.00 63.04 C ATOM 1024 O ASP A 67 14.001 -16.265 -9.277 1.00 63.01 O ATOM 1025 CB ASP A 67 13.162 -19.447 -9.838 1.00 31.35 C ATOM 1026 CG ASP A 67 12.815 -20.498 -10.874 1.00 43.02 C ATOM 1027 OD1 ASP A 67 13.181 -20.312 -12.053 1.00 23.01 O ATOM 1028 OD2 ASP A 67 12.176 -21.506 -10.506 1.00 3.12 O ATOM 0 H ASP A 67 15.330 -20.056 -10.835 1.00 50.34 H new ATOM 0 HA ASP A 67 13.659 -17.856 -11.195 1.00 4.40 H new ATOM 0 HB2 ASP A 67 13.601 -19.932 -8.966 1.00 31.35 H new ATOM 0 HB3 ASP A 67 12.249 -18.955 -9.504 1.00 31.35 H new ATOM 1033 N ALA A 68 15.321 -17.826 -8.338 1.00 50.52 N ATOM 1034 CA ALA A 68 15.734 -16.970 -7.234 1.00 14.12 C ATOM 1035 C ALA A 68 16.645 -15.847 -7.720 1.00 75.14 C ATOM 1036 O ALA A 68 16.760 -14.806 -7.074 1.00 20.01 O ATOM 1037 CB ALA A 68 16.433 -17.792 -6.161 1.00 45.43 C ATOM 0 H ALA A 68 15.727 -18.761 -8.321 1.00 50.52 H new ATOM 0 HA ALA A 68 14.840 -16.517 -6.805 1.00 14.12 H new ATOM 0 HB1 ALA A 68 16.736 -17.139 -5.342 1.00 45.43 H new ATOM 0 HB2 ALA A 68 15.751 -18.554 -5.784 1.00 45.43 H new ATOM 0 HB3 ALA A 68 17.314 -18.273 -6.587 1.00 45.43 H new ATOM 1043 N GLN A 69 17.290 -16.067 -8.861 1.00 33.43 N ATOM 1044 CA GLN A 69 18.192 -15.074 -9.432 1.00 50.50 C ATOM 1045 C GLN A 69 17.472 -13.746 -9.648 1.00 42.43 C ATOM 1046 O GLN A 69 18.100 -12.688 -9.696 1.00 20.02 O ATOM 1047 CB GLN A 69 18.767 -15.578 -10.757 1.00 42.55 C ATOM 1048 CG GLN A 69 20.275 -15.424 -10.862 1.00 42.41 C ATOM 1049 CD GLN A 69 20.814 -15.866 -12.209 1.00 21.43 C ATOM 1050 OE1 GLN A 69 21.407 -16.938 -12.332 1.00 60.33 O ATOM 1051 NE2 GLN A 69 20.610 -15.040 -13.228 1.00 70.11 N ATOM 0 H GLN A 69 17.205 -16.924 -9.408 1.00 33.43 H new ATOM 0 HA GLN A 69 19.009 -14.914 -8.728 1.00 50.50 H new ATOM 0 HB2 GLN A 69 18.508 -16.630 -10.880 1.00 42.55 H new ATOM 0 HB3 GLN A 69 18.297 -15.036 -11.577 1.00 42.55 H new ATOM 0 HG2 GLN A 69 20.543 -14.381 -10.692 1.00 42.41 H new ATOM 0 HG3 GLN A 69 20.752 -16.008 -10.075 1.00 42.41 H new ATOM 0 HE21 GLN A 69 20.113 -14.161 -13.081 1.00 70.11 H new ATOM 0 HE22 GLN A 69 20.950 -15.284 -14.158 1.00 70.11 H new ATOM 1060 N LYS A 70 16.152 -13.809 -9.780 1.00 74.45 N ATOM 1061 CA LYS A 70 15.345 -12.613 -9.991 1.00 1.53 C ATOM 1062 C LYS A 70 14.473 -12.323 -8.773 1.00 1.43 C ATOM 1063 O LYS A 70 13.556 -11.504 -8.835 1.00 51.12 O ATOM 1064 CB LYS A 70 14.467 -12.777 -11.233 1.00 34.22 C ATOM 1065 CG LYS A 70 13.260 -13.672 -11.010 1.00 63.44 C ATOM 1066 CD LYS A 70 13.101 -14.684 -12.133 1.00 33.11 C ATOM 1067 CE LYS A 70 12.386 -14.079 -13.331 1.00 71.42 C ATOM 1068 NZ LYS A 70 11.650 -15.109 -14.116 1.00 44.31 N ATOM 0 H LYS A 70 15.617 -14.677 -9.745 1.00 74.45 H new ATOM 0 HA LYS A 70 16.021 -11.771 -10.141 1.00 1.53 H new ATOM 0 HB2 LYS A 70 14.125 -11.794 -11.559 1.00 34.22 H new ATOM 0 HB3 LYS A 70 15.070 -13.189 -12.042 1.00 34.22 H new ATOM 0 HG2 LYS A 70 13.365 -14.195 -10.060 1.00 63.44 H new ATOM 0 HG3 LYS A 70 12.360 -13.060 -10.940 1.00 63.44 H new ATOM 0 HD2 LYS A 70 14.082 -15.047 -12.439 1.00 33.11 H new ATOM 0 HD3 LYS A 70 12.541 -15.546 -11.771 1.00 33.11 H new ATOM 0 HE2 LYS A 70 11.688 -13.315 -12.989 1.00 71.42 H new ATOM 0 HE3 LYS A 70 13.112 -13.582 -13.974 1.00 71.42 H new ATOM 0 HZ1 LYS A 70 11.176 -14.657 -14.924 1.00 44.31 H new ATOM 0 HZ2 LYS A 70 12.320 -15.825 -14.464 1.00 44.31 H new ATOM 0 HZ3 LYS A 70 10.939 -15.566 -13.509 1.00 44.31 H new ATOM 1082 N LEU A 71 14.766 -12.999 -7.667 1.00 13.15 N ATOM 1083 CA LEU A 71 14.009 -12.812 -6.434 1.00 10.42 C ATOM 1084 C LEU A 71 14.924 -12.374 -5.295 1.00 61.30 C ATOM 1085 O LEU A 71 15.580 -13.199 -4.661 1.00 61.23 O ATOM 1086 CB LEU A 71 13.288 -14.107 -6.055 1.00 23.55 C ATOM 1087 CG LEU A 71 12.236 -14.604 -7.047 1.00 21.50 C ATOM 1088 CD1 LEU A 71 11.542 -15.847 -6.511 1.00 21.03 C ATOM 1089 CD2 LEU A 71 11.220 -13.510 -7.341 1.00 12.53 C ATOM 0 H LEU A 71 15.522 -13.681 -7.599 1.00 13.15 H new ATOM 0 HA LEU A 71 13.271 -12.028 -6.604 1.00 10.42 H new ATOM 0 HB2 LEU A 71 14.035 -14.890 -5.925 1.00 23.55 H new ATOM 0 HB3 LEU A 71 12.807 -13.962 -5.088 1.00 23.55 H new ATOM 0 HG LEU A 71 12.738 -14.865 -7.978 1.00 21.50 H new ATOM 0 HD11 LEU A 71 10.797 -16.186 -7.230 1.00 21.03 H new ATOM 0 HD12 LEU A 71 12.278 -16.635 -6.352 1.00 21.03 H new ATOM 0 HD13 LEU A 71 11.053 -15.612 -5.566 1.00 21.03 H new ATOM 0 HD21 LEU A 71 10.479 -13.882 -8.049 1.00 12.53 H new ATOM 0 HD22 LEU A 71 10.723 -13.217 -6.416 1.00 12.53 H new ATOM 0 HD23 LEU A 71 11.729 -12.646 -7.769 1.00 12.53 H new ATOM 1101 N GLU A 72 14.960 -11.069 -5.040 1.00 14.33 N ATOM 1102 CA GLU A 72 15.793 -10.522 -3.976 1.00 73.52 C ATOM 1103 C GLU A 72 14.965 -9.666 -3.022 1.00 43.43 C ATOM 1104 O GLU A 72 15.185 -9.674 -1.811 1.00 73.12 O ATOM 1105 CB GLU A 72 16.932 -9.690 -4.567 1.00 41.34 C ATOM 1106 CG GLU A 72 16.489 -8.753 -5.678 1.00 21.33 C ATOM 1107 CD GLU A 72 16.412 -9.442 -7.027 1.00 53.11 C ATOM 1108 OE1 GLU A 72 17.425 -10.042 -7.444 1.00 42.31 O ATOM 1109 OE2 GLU A 72 15.340 -9.382 -7.664 1.00 52.00 O ATOM 0 H GLU A 72 14.422 -10.372 -5.556 1.00 14.33 H new ATOM 0 HA GLU A 72 16.215 -11.356 -3.415 1.00 73.52 H new ATOM 0 HB2 GLU A 72 17.393 -9.104 -3.772 1.00 41.34 H new ATOM 0 HB3 GLU A 72 17.698 -10.362 -4.954 1.00 41.34 H new ATOM 0 HG2 GLU A 72 15.512 -8.338 -5.430 1.00 21.33 H new ATOM 0 HG3 GLU A 72 17.184 -7.916 -5.741 1.00 21.33 H new ATOM 1116 N THR A 73 14.009 -8.927 -3.578 1.00 72.44 N ATOM 1117 CA THR A 73 13.149 -8.064 -2.778 1.00 4.34 C ATOM 1118 C THR A 73 11.942 -8.829 -2.249 1.00 12.00 C ATOM 1119 O THR A 73 11.561 -9.864 -2.797 1.00 42.34 O ATOM 1120 CB THR A 73 12.658 -6.851 -3.592 1.00 65.13 C ATOM 1121 OG1 THR A 73 12.368 -7.249 -4.937 1.00 4.12 O ATOM 1122 CG2 THR A 73 13.701 -5.745 -3.598 1.00 4.33 C ATOM 0 H THR A 73 13.811 -8.909 -4.579 1.00 72.44 H new ATOM 0 HA THR A 73 13.748 -7.711 -1.938 1.00 4.34 H new ATOM 0 HB THR A 73 11.751 -6.469 -3.123 1.00 65.13 H new ATOM 0 HG1 THR A 73 12.055 -6.473 -5.447 1.00 4.12 H new ATOM 0 HG21 THR A 73 13.332 -4.900 -4.179 1.00 4.33 H new ATOM 0 HG22 THR A 73 13.897 -5.424 -2.575 1.00 4.33 H new ATOM 0 HG23 THR A 73 14.623 -6.117 -4.045 1.00 4.33 H new ATOM 1130 N VAL A 74 11.342 -8.313 -1.181 1.00 44.25 N ATOM 1131 CA VAL A 74 10.176 -8.948 -0.578 1.00 71.10 C ATOM 1132 C VAL A 74 9.023 -9.036 -1.572 1.00 60.12 C ATOM 1133 O VAL A 74 8.477 -10.113 -1.811 1.00 22.51 O ATOM 1134 CB VAL A 74 9.703 -8.182 0.672 1.00 25.12 C ATOM 1135 CG1 VAL A 74 8.616 -8.961 1.396 1.00 52.13 C ATOM 1136 CG2 VAL A 74 10.877 -7.902 1.599 1.00 34.04 C ATOM 0 H VAL A 74 11.644 -7.457 -0.716 1.00 44.25 H new ATOM 0 HA VAL A 74 10.479 -9.954 -0.286 1.00 71.10 H new ATOM 0 HB VAL A 74 9.282 -7.227 0.355 1.00 25.12 H new ATOM 0 HG11 VAL A 74 8.294 -8.404 2.276 1.00 52.13 H new ATOM 0 HG12 VAL A 74 7.767 -9.107 0.728 1.00 52.13 H new ATOM 0 HG13 VAL A 74 9.007 -9.931 1.703 1.00 52.13 H new ATOM 0 HG21 VAL A 74 10.526 -7.360 2.477 1.00 34.04 H new ATOM 0 HG22 VAL A 74 11.328 -8.844 1.910 1.00 34.04 H new ATOM 0 HG23 VAL A 74 11.619 -7.301 1.074 1.00 34.04 H new ATOM 1146 N ASP A 75 8.658 -7.896 -2.149 1.00 22.54 N ATOM 1147 CA ASP A 75 7.571 -7.844 -3.119 1.00 40.14 C ATOM 1148 C ASP A 75 7.789 -8.861 -4.235 1.00 70.00 C ATOM 1149 O ASP A 75 6.891 -9.635 -4.567 1.00 42.53 O ATOM 1150 CB ASP A 75 7.452 -6.438 -3.709 1.00 63.23 C ATOM 1151 CG ASP A 75 6.202 -6.266 -4.549 1.00 53.41 C ATOM 1152 OD1 ASP A 75 5.150 -5.905 -3.981 1.00 23.41 O ATOM 1153 OD2 ASP A 75 6.275 -6.493 -5.775 1.00 1.32 O ATOM 0 H ASP A 75 9.099 -6.996 -1.961 1.00 22.54 H new ATOM 0 HA ASP A 75 6.644 -8.092 -2.602 1.00 40.14 H new ATOM 0 HB2 ASP A 75 7.446 -5.707 -2.900 1.00 63.23 H new ATOM 0 HB3 ASP A 75 8.329 -6.229 -4.321 1.00 63.23 H new ATOM 1158 N ASP A 76 8.986 -8.851 -4.811 1.00 53.01 N ATOM 1159 CA ASP A 76 9.322 -9.773 -5.890 1.00 32.13 C ATOM 1160 C ASP A 76 9.108 -11.220 -5.456 1.00 4.15 C ATOM 1161 O ASP A 76 8.452 -11.995 -6.151 1.00 73.03 O ATOM 1162 CB ASP A 76 10.773 -9.569 -6.330 1.00 73.52 C ATOM 1163 CG ASP A 76 10.941 -8.358 -7.226 1.00 1.45 C ATOM 1164 OD1 ASP A 76 9.929 -7.683 -7.507 1.00 14.20 O ATOM 1165 OD2 ASP A 76 12.085 -8.085 -7.647 1.00 43.24 O ATOM 0 H ASP A 76 9.739 -8.215 -4.549 1.00 53.01 H new ATOM 0 HA ASP A 76 8.662 -9.564 -6.732 1.00 32.13 H new ATOM 0 HB2 ASP A 76 11.404 -9.456 -5.449 1.00 73.52 H new ATOM 0 HB3 ASP A 76 11.118 -10.458 -6.857 1.00 73.52 H new ATOM 1170 N ILE A 77 9.667 -11.575 -4.304 1.00 33.41 N ATOM 1171 CA ILE A 77 9.537 -12.928 -3.778 1.00 42.01 C ATOM 1172 C ILE A 77 8.073 -13.297 -3.565 1.00 14.23 C ATOM 1173 O ILE A 77 7.590 -14.298 -4.095 1.00 4.43 O ATOM 1174 CB ILE A 77 10.294 -13.090 -2.447 1.00 62.01 C ATOM 1175 CG1 ILE A 77 11.781 -12.783 -2.640 1.00 31.21 C ATOM 1176 CG2 ILE A 77 10.105 -14.496 -1.898 1.00 54.54 C ATOM 1177 CD1 ILE A 77 12.453 -12.242 -1.398 1.00 0.20 C ATOM 0 H ILE A 77 10.214 -10.945 -3.717 1.00 33.41 H new ATOM 0 HA ILE A 77 9.974 -13.597 -4.519 1.00 42.01 H new ATOM 0 HB ILE A 77 9.887 -12.382 -1.726 1.00 62.01 H new ATOM 0 HG12 ILE A 77 12.294 -13.692 -2.954 1.00 31.21 H new ATOM 0 HG13 ILE A 77 11.892 -12.060 -3.448 1.00 31.21 H new ATOM 0 HG21 ILE A 77 10.646 -14.595 -0.957 1.00 54.54 H new ATOM 0 HG22 ILE A 77 9.044 -14.681 -1.728 1.00 54.54 H new ATOM 0 HG23 ILE A 77 10.489 -15.221 -2.615 1.00 54.54 H new ATOM 0 HD11 ILE A 77 13.505 -12.047 -1.609 1.00 0.20 H new ATOM 0 HD12 ILE A 77 11.966 -11.315 -1.095 1.00 0.20 H new ATOM 0 HD13 ILE A 77 12.373 -12.973 -0.593 1.00 0.20 H new ATOM 1189 N CYS A 78 7.370 -12.480 -2.787 1.00 61.25 N ATOM 1190 CA CYS A 78 5.959 -12.720 -2.505 1.00 2.14 C ATOM 1191 C CYS A 78 5.161 -12.853 -3.797 1.00 72.24 C ATOM 1192 O CYS A 78 4.251 -13.676 -3.894 1.00 42.05 O ATOM 1193 CB CYS A 78 5.389 -11.585 -1.653 1.00 33.40 C ATOM 1194 SG CYS A 78 3.871 -12.015 -0.771 1.00 42.35 S ATOM 0 H CYS A 78 7.754 -11.647 -2.341 1.00 61.25 H new ATOM 0 HA CYS A 78 5.878 -13.656 -1.952 1.00 2.14 H new ATOM 0 HB2 CYS A 78 6.142 -11.275 -0.928 1.00 33.40 H new ATOM 0 HB3 CYS A 78 5.193 -10.726 -2.295 1.00 33.40 H new ATOM 0 HG CYS A 78 3.190 -12.873 -1.471 1.00 42.35 H new ATOM 1200 N ARG A 79 5.506 -12.036 -4.787 1.00 42.12 N ATOM 1201 CA ARG A 79 4.819 -12.060 -6.073 1.00 32.51 C ATOM 1202 C ARG A 79 5.019 -13.402 -6.770 1.00 62.11 C ATOM 1203 O ARG A 79 4.068 -13.999 -7.274 1.00 54.33 O ATOM 1204 CB ARG A 79 5.327 -10.927 -6.967 1.00 34.14 C ATOM 1205 CG ARG A 79 4.353 -10.538 -8.068 1.00 33.33 C ATOM 1206 CD ARG A 79 4.350 -11.557 -9.196 1.00 43.34 C ATOM 1207 NE ARG A 79 3.946 -10.965 -10.468 1.00 64.15 N ATOM 1208 CZ ARG A 79 4.086 -11.575 -11.640 1.00 42.12 C ATOM 1209 NH1 ARG A 79 4.617 -12.788 -11.701 1.00 41.13 N ATOM 1210 NH2 ARG A 79 3.694 -10.970 -12.754 1.00 72.00 N ATOM 0 H ARG A 79 6.257 -11.349 -4.723 1.00 42.12 H new ATOM 0 HA ARG A 79 3.753 -11.920 -5.891 1.00 32.51 H new ATOM 0 HB2 ARG A 79 5.533 -10.053 -6.350 1.00 34.14 H new ATOM 0 HB3 ARG A 79 6.272 -11.228 -7.419 1.00 34.14 H new ATOM 0 HG2 ARG A 79 3.349 -10.451 -7.653 1.00 33.33 H new ATOM 0 HG3 ARG A 79 4.621 -9.558 -8.463 1.00 33.33 H new ATOM 0 HD2 ARG A 79 5.346 -11.988 -9.297 1.00 43.34 H new ATOM 0 HD3 ARG A 79 3.673 -12.373 -8.945 1.00 43.34 H new ATOM 0 HE ARG A 79 3.534 -10.032 -10.456 1.00 64.15 H new ATOM 0 HH11 ARG A 79 4.919 -13.256 -10.847 1.00 41.13 H new ATOM 0 HH12 ARG A 79 4.723 -13.254 -12.602 1.00 41.13 H new ATOM 0 HH21 ARG A 79 3.285 -10.037 -12.711 1.00 72.00 H new ATOM 0 HH22 ARG A 79 3.802 -11.438 -13.654 1.00 72.00 H new ATOM 1224 N TYR A 80 6.262 -13.870 -6.796 1.00 65.34 N ATOM 1225 CA TYR A 80 6.588 -15.140 -7.435 1.00 50.23 C ATOM 1226 C TYR A 80 5.863 -16.295 -6.751 1.00 33.42 C ATOM 1227 O TYR A 80 5.384 -17.219 -7.410 1.00 3.40 O ATOM 1228 CB TYR A 80 8.098 -15.380 -7.400 1.00 55.12 C ATOM 1229 CG TYR A 80 8.502 -16.763 -7.858 1.00 74.13 C ATOM 1230 CD1 TYR A 80 8.537 -17.828 -6.966 1.00 52.21 C ATOM 1231 CD2 TYR A 80 8.850 -17.005 -9.181 1.00 64.12 C ATOM 1232 CE1 TYR A 80 8.906 -19.094 -7.379 1.00 73.04 C ATOM 1233 CE2 TYR A 80 9.219 -18.267 -9.603 1.00 4.04 C ATOM 1234 CZ TYR A 80 9.246 -19.308 -8.698 1.00 53.44 C ATOM 1235 OH TYR A 80 9.614 -20.567 -9.115 1.00 12.11 O ATOM 0 H TYR A 80 7.061 -13.389 -6.382 1.00 65.34 H new ATOM 0 HA TYR A 80 6.259 -15.091 -8.473 1.00 50.23 H new ATOM 0 HB2 TYR A 80 8.590 -14.639 -8.031 1.00 55.12 H new ATOM 0 HB3 TYR A 80 8.459 -15.223 -6.384 1.00 55.12 H new ATOM 0 HD1 TYR A 80 8.271 -17.663 -5.932 1.00 52.21 H new ATOM 0 HD2 TYR A 80 8.832 -16.192 -9.892 1.00 64.12 H new ATOM 0 HE1 TYR A 80 8.928 -19.911 -6.673 1.00 73.04 H new ATOM 0 HE2 TYR A 80 9.485 -18.438 -10.636 1.00 4.04 H new ATOM 0 HH TYR A 80 10.509 -20.531 -9.513 1.00 12.11 H new ATOM 1245 N ILE A 81 5.785 -16.235 -5.426 1.00 75.45 N ATOM 1246 CA ILE A 81 5.117 -17.274 -4.652 1.00 44.21 C ATOM 1247 C ILE A 81 3.602 -17.181 -4.799 1.00 45.44 C ATOM 1248 O ILE A 81 2.908 -18.196 -4.829 1.00 63.42 O ATOM 1249 CB ILE A 81 5.483 -17.187 -3.159 1.00 32.32 C ATOM 1250 CG1 ILE A 81 6.997 -17.313 -2.974 1.00 21.53 C ATOM 1251 CG2 ILE A 81 4.756 -18.267 -2.371 1.00 70.44 C ATOM 1252 CD1 ILE A 81 7.439 -17.220 -1.530 1.00 20.45 C ATOM 0 H ILE A 81 6.176 -15.478 -4.866 1.00 75.45 H new ATOM 0 HA ILE A 81 5.460 -18.231 -5.046 1.00 44.21 H new ATOM 0 HB ILE A 81 5.169 -16.215 -2.780 1.00 32.32 H new ATOM 0 HG12 ILE A 81 7.327 -18.267 -3.386 1.00 21.53 H new ATOM 0 HG13 ILE A 81 7.492 -16.529 -3.548 1.00 21.53 H new ATOM 0 HG21 ILE A 81 5.025 -18.192 -1.317 1.00 70.44 H new ATOM 0 HG22 ILE A 81 3.680 -18.135 -2.481 1.00 70.44 H new ATOM 0 HG23 ILE A 81 5.042 -19.248 -2.750 1.00 70.44 H new ATOM 0 HD11 ILE A 81 8.523 -17.317 -1.474 1.00 20.45 H new ATOM 0 HD12 ILE A 81 7.140 -16.256 -1.119 1.00 20.45 H new ATOM 0 HD13 ILE A 81 6.973 -18.020 -0.955 1.00 20.45 H new ATOM 1264 N ALA A 82 3.097 -15.955 -4.893 1.00 24.44 N ATOM 1265 CA ALA A 82 1.665 -15.729 -5.041 1.00 74.32 C ATOM 1266 C ALA A 82 1.170 -16.214 -6.399 1.00 1.20 C ATOM 1267 O ALA A 82 0.145 -16.890 -6.492 1.00 72.43 O ATOM 1268 CB ALA A 82 1.341 -14.254 -4.855 1.00 50.42 C ATOM 0 H ALA A 82 3.658 -15.104 -4.869 1.00 24.44 H new ATOM 0 HA ALA A 82 1.151 -16.303 -4.270 1.00 74.32 H new ATOM 0 HB1 ALA A 82 0.268 -14.100 -4.968 1.00 50.42 H new ATOM 0 HB2 ALA A 82 1.650 -13.936 -3.859 1.00 50.42 H new ATOM 0 HB3 ALA A 82 1.873 -13.667 -5.604 1.00 50.42 H new ATOM 1274 N SER A 83 1.903 -15.864 -7.451 1.00 34.12 N ATOM 1275 CA SER A 83 1.536 -16.260 -8.805 1.00 43.14 C ATOM 1276 C SER A 83 1.358 -17.772 -8.899 1.00 54.13 C ATOM 1277 O SER A 83 0.607 -18.270 -9.739 1.00 22.31 O ATOM 1278 CB SER A 83 2.602 -15.797 -9.801 1.00 1.43 C ATOM 1279 OG SER A 83 2.462 -16.464 -11.044 1.00 10.43 O ATOM 0 H SER A 83 2.755 -15.307 -7.391 1.00 34.12 H new ATOM 0 HA SER A 83 0.587 -15.784 -9.052 1.00 43.14 H new ATOM 0 HB2 SER A 83 2.521 -14.720 -9.951 1.00 1.43 H new ATOM 0 HB3 SER A 83 3.594 -15.988 -9.392 1.00 1.43 H new ATOM 0 HG SER A 83 3.153 -16.150 -11.663 1.00 10.43 H new ATOM 1285 N LYS A 84 2.053 -18.499 -8.031 1.00 42.25 N ATOM 1286 CA LYS A 84 1.973 -19.954 -8.014 1.00 0.24 C ATOM 1287 C LYS A 84 0.740 -20.422 -7.247 1.00 65.15 C ATOM 1288 O LYS A 84 0.173 -21.472 -7.546 1.00 0.04 O ATOM 1289 CB LYS A 84 3.235 -20.548 -7.383 1.00 70.24 C ATOM 1290 CG LYS A 84 4.518 -20.121 -8.074 1.00 52.41 C ATOM 1291 CD LYS A 84 4.884 -21.068 -9.205 1.00 32.14 C ATOM 1292 CE LYS A 84 6.224 -20.704 -9.825 1.00 24.30 C ATOM 1293 NZ LYS A 84 6.082 -19.664 -10.881 1.00 51.04 N ATOM 0 H LYS A 84 2.679 -18.103 -7.329 1.00 42.25 H new ATOM 0 HA LYS A 84 1.892 -20.300 -9.044 1.00 0.24 H new ATOM 0 HB2 LYS A 84 3.281 -20.252 -6.335 1.00 70.24 H new ATOM 0 HB3 LYS A 84 3.165 -21.636 -7.405 1.00 70.24 H new ATOM 0 HG2 LYS A 84 4.402 -19.111 -8.467 1.00 52.41 H new ATOM 0 HG3 LYS A 84 5.330 -20.089 -7.348 1.00 52.41 H new ATOM 0 HD2 LYS A 84 4.922 -22.090 -8.827 1.00 32.14 H new ATOM 0 HD3 LYS A 84 4.108 -21.040 -9.970 1.00 32.14 H new ATOM 0 HE2 LYS A 84 6.898 -20.343 -9.048 1.00 24.30 H new ATOM 0 HE3 LYS A 84 6.681 -21.596 -10.253 1.00 24.30 H new ATOM 0 HZ1 LYS A 84 7.017 -19.443 -11.279 1.00 51.04 H new ATOM 0 HZ2 LYS A 84 5.459 -20.018 -11.635 1.00 51.04 H new ATOM 0 HZ3 LYS A 84 5.670 -18.803 -10.467 1.00 51.04 H new ATOM 1307 N SER A 85 0.330 -19.634 -6.258 1.00 10.43 N ATOM 1308 CA SER A 85 -0.834 -19.969 -5.446 1.00 43.33 C ATOM 1309 C SER A 85 -2.123 -19.551 -6.148 1.00 10.44 C ATOM 1310 O SER A 85 -2.106 -19.134 -7.306 1.00 32.24 O ATOM 1311 CB SER A 85 -0.742 -19.289 -4.079 1.00 24.21 C ATOM 1312 OG SER A 85 -1.666 -19.854 -3.165 1.00 62.21 O ATOM 0 H SER A 85 0.787 -18.759 -6.000 1.00 10.43 H new ATOM 0 HA SER A 85 -0.850 -21.050 -5.306 1.00 43.33 H new ATOM 0 HB2 SER A 85 0.270 -19.390 -3.687 1.00 24.21 H new ATOM 0 HB3 SER A 85 -0.938 -18.222 -4.186 1.00 24.21 H new ATOM 0 HG SER A 85 -1.586 -19.403 -2.298 1.00 62.21 H new ATOM 1318 N SER A 86 -3.241 -19.667 -5.437 1.00 23.42 N ATOM 1319 CA SER A 86 -4.540 -19.306 -5.991 1.00 64.32 C ATOM 1320 C SER A 86 -5.064 -18.022 -5.355 1.00 34.22 C ATOM 1321 O SER A 86 -5.682 -17.193 -6.023 1.00 3.04 O ATOM 1322 CB SER A 86 -5.543 -20.441 -5.777 1.00 61.24 C ATOM 1323 OG SER A 86 -6.630 -20.339 -6.681 1.00 32.21 O ATOM 0 H SER A 86 -3.272 -20.008 -4.476 1.00 23.42 H new ATOM 0 HA SER A 86 -4.417 -19.137 -7.061 1.00 64.32 H new ATOM 0 HB2 SER A 86 -5.044 -21.401 -5.910 1.00 61.24 H new ATOM 0 HB3 SER A 86 -5.914 -20.414 -4.753 1.00 61.24 H new ATOM 0 HG SER A 86 -7.256 -21.077 -6.525 1.00 32.21 H new ATOM 1329 N ASP A 87 -4.813 -17.865 -4.060 1.00 33.10 N ATOM 1330 CA ASP A 87 -5.258 -16.683 -3.333 1.00 34.24 C ATOM 1331 C ASP A 87 -4.732 -15.410 -3.990 1.00 52.42 C ATOM 1332 O ASP A 87 -3.549 -15.310 -4.313 1.00 53.21 O ATOM 1333 CB ASP A 87 -4.793 -16.749 -1.877 1.00 33.23 C ATOM 1334 CG ASP A 87 -5.696 -15.966 -0.945 1.00 3.24 C ATOM 1335 OD1 ASP A 87 -6.326 -14.991 -1.408 1.00 24.05 O ATOM 1336 OD2 ASP A 87 -5.775 -16.328 0.248 1.00 61.42 O ATOM 0 H ASP A 87 -4.303 -18.542 -3.492 1.00 33.10 H new ATOM 0 HA ASP A 87 -6.347 -16.660 -3.358 1.00 34.24 H new ATOM 0 HB2 ASP A 87 -4.760 -17.790 -1.556 1.00 33.23 H new ATOM 0 HB3 ASP A 87 -3.777 -16.361 -1.805 1.00 33.23 H new ATOM 1341 N ALA A 88 -5.620 -14.441 -4.186 1.00 51.22 N ATOM 1342 CA ALA A 88 -5.246 -13.176 -4.804 1.00 24.22 C ATOM 1343 C ALA A 88 -4.546 -12.262 -3.804 1.00 25.02 C ATOM 1344 O ALA A 88 -4.938 -11.108 -3.622 1.00 32.15 O ATOM 1345 CB ALA A 88 -6.473 -12.487 -5.382 1.00 70.24 C ATOM 0 H ALA A 88 -6.604 -14.508 -3.925 1.00 51.22 H new ATOM 0 HA ALA A 88 -4.547 -13.389 -5.613 1.00 24.22 H new ATOM 0 HB1 ALA A 88 -6.178 -11.543 -5.840 1.00 70.24 H new ATOM 0 HB2 ALA A 88 -6.930 -13.129 -6.135 1.00 70.24 H new ATOM 0 HB3 ALA A 88 -7.191 -12.295 -4.585 1.00 70.24 H new TER 1351 ALA A 88