USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=21 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 36 ASN : amide:sc= -1.79 K(o=-2.1,f=-8.7!) USER MOD Set 1.2: A 39 LYS NZ :NH3+ 147:sc= -0.268 (180deg=-1.54!) USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0.0336 USER MOD Set 2.2: A 34 THR OG1 : rot 180:sc=-0.00809 USER MOD Set 2.3: A 35 THR OG1 : rot -160:sc= -0.603 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 160:sc= -0.302 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -1.47 K(o=-1.5,f=-3.6!) USER MOD Single : A 14 MET CE :methyl -171:sc= -1.15 (180deg=-1.27) USER MOD Single : A 16 SER OG : rot -65:sc= 0.0674 USER MOD Single : A 20 CYS SG : rot 86:sc= -0.318 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0254 X(o=-0.025,f=-0.44) USER MOD Single : A 27 GLN : amide:sc= -0.0322 K(o=-0.032,f=-0.96) USER MOD Single : A 28 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.638) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 151:sc= -0.165 (180deg=-0.858) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 79:sc= 1.24 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0.098) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.339 USER MOD Single : A 78 CYS SG : rot -34:sc= -0.593 USER MOD Single : A 80 TYR OH : rot -111:sc= 0.188 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 -61:sc= 0.118 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 2.163 1.673 -0.599 1.00 52.34 N ATOM 2 CA PRO A 1 0.820 2.258 -0.594 1.00 33.32 C ATOM 3 C PRO A 1 -0.276 1.198 -0.602 1.00 25.01 C ATOM 4 O PRO A 1 -1.216 1.256 0.189 1.00 60.42 O ATOM 5 CB PRO A 1 0.783 3.075 -1.887 1.00 71.02 C ATOM 6 CG PRO A 1 1.777 2.416 -2.780 1.00 74.43 C ATOM 7 CD PRO A 1 2.860 1.893 -1.877 1.00 30.13 C ATOM 0 H2 PRO A 1 2.097 0.671 -0.418 1.00 52.34 H new ATOM 0 H3 PRO A 1 2.711 2.078 0.160 1.00 52.34 H new ATOM 0 HA PRO A 1 0.637 2.848 0.304 1.00 33.32 H new ATOM 0 HB2 PRO A 1 -0.213 3.069 -2.331 1.00 71.02 H new ATOM 0 HB3 PRO A 1 1.045 4.117 -1.704 1.00 71.02 H new ATOM 0 HG2 PRO A 1 1.317 1.607 -3.347 1.00 74.43 H new ATOM 0 HG3 PRO A 1 2.180 3.123 -3.505 1.00 74.43 H new ATOM 0 HD2 PRO A 1 3.293 0.970 -2.262 1.00 30.13 H new ATOM 0 HD3 PRO A 1 3.676 2.608 -1.772 1.00 30.13 H new ATOM 15 N GLY A 2 -0.148 0.228 -1.502 1.00 34.43 N ATOM 16 CA GLY A 2 -1.134 -0.832 -1.596 1.00 52.43 C ATOM 17 C GLY A 2 -0.507 -2.212 -1.560 1.00 71.25 C ATOM 18 O GLY A 2 0.716 -2.345 -1.533 1.00 34.30 O ATOM 0 H GLY A 2 0.621 0.158 -2.168 1.00 34.43 H new ATOM 0 HA2 GLY A 2 -1.844 -0.737 -0.774 1.00 52.43 H new ATOM 0 HA3 GLY A 2 -1.699 -0.717 -2.521 1.00 52.43 H new ATOM 22 N SER A 3 -1.347 -3.242 -1.559 1.00 72.21 N ATOM 23 CA SER A 3 -0.869 -4.619 -1.521 1.00 61.54 C ATOM 24 C SER A 3 -1.659 -5.496 -2.487 1.00 62.44 C ATOM 25 O SER A 3 -2.742 -5.979 -2.161 1.00 61.12 O ATOM 26 CB SER A 3 -0.977 -5.179 -0.101 1.00 31.31 C ATOM 27 OG SER A 3 -0.513 -4.242 0.854 1.00 12.05 O ATOM 0 H SER A 3 -2.362 -3.149 -1.584 1.00 72.21 H new ATOM 0 HA SER A 3 0.177 -4.623 -1.828 1.00 61.54 H new ATOM 0 HB2 SER A 3 -2.014 -5.438 0.113 1.00 31.31 H new ATOM 0 HB3 SER A 3 -0.397 -6.098 -0.024 1.00 31.31 H new ATOM 0 HG SER A 3 -0.594 -4.624 1.753 1.00 12.05 H new ATOM 33 N MET A 4 -1.107 -5.695 -3.680 1.00 71.22 N ATOM 34 CA MET A 4 -1.759 -6.515 -4.696 1.00 10.34 C ATOM 35 C MET A 4 -1.325 -7.973 -4.578 1.00 13.52 C ATOM 36 O MET A 4 -2.055 -8.881 -4.974 1.00 10.30 O ATOM 37 CB MET A 4 -1.435 -5.986 -6.094 1.00 21.22 C ATOM 38 CG MET A 4 -2.540 -6.232 -7.109 1.00 65.30 C ATOM 39 SD MET A 4 -3.891 -5.047 -6.965 1.00 72.13 S ATOM 40 CE MET A 4 -5.296 -6.149 -6.829 1.00 41.52 C ATOM 0 H MET A 4 -0.211 -5.300 -3.967 1.00 71.22 H new ATOM 0 HA MET A 4 -2.836 -6.460 -4.536 1.00 10.34 H new ATOM 0 HB2 MET A 4 -1.242 -4.915 -6.032 1.00 21.22 H new ATOM 0 HB3 MET A 4 -0.517 -6.456 -6.447 1.00 21.22 H new ATOM 0 HG2 MET A 4 -2.122 -6.181 -8.115 1.00 65.30 H new ATOM 0 HG3 MET A 4 -2.931 -7.241 -6.977 1.00 65.30 H new ATOM 0 HE1 MET A 4 -6.210 -5.563 -6.733 1.00 41.52 H new ATOM 0 HE2 MET A 4 -5.357 -6.773 -7.721 1.00 41.52 H new ATOM 0 HE3 MET A 4 -5.177 -6.783 -5.950 1.00 41.52 H new ATOM 50 N VAL A 5 -0.134 -8.190 -4.031 1.00 50.34 N ATOM 51 CA VAL A 5 0.396 -9.537 -3.860 1.00 72.33 C ATOM 52 C VAL A 5 -0.387 -10.305 -2.801 1.00 44.51 C ATOM 53 O VAL A 5 -1.007 -9.711 -1.920 1.00 2.23 O ATOM 54 CB VAL A 5 1.884 -9.509 -3.463 1.00 11.11 C ATOM 55 CG1 VAL A 5 2.499 -10.894 -3.596 1.00 21.20 C ATOM 56 CG2 VAL A 5 2.642 -8.496 -4.309 1.00 11.22 C ATOM 0 H VAL A 5 0.483 -7.449 -3.698 1.00 50.34 H new ATOM 0 HA VAL A 5 0.294 -10.042 -4.821 1.00 72.33 H new ATOM 0 HB VAL A 5 1.958 -9.204 -2.419 1.00 11.11 H new ATOM 0 HG11 VAL A 5 3.550 -10.854 -3.311 1.00 21.20 H new ATOM 0 HG12 VAL A 5 1.972 -11.590 -2.943 1.00 21.20 H new ATOM 0 HG13 VAL A 5 2.415 -11.232 -4.629 1.00 21.20 H new ATOM 0 HG21 VAL A 5 3.692 -8.489 -4.015 1.00 11.22 H new ATOM 0 HG22 VAL A 5 2.562 -8.768 -5.361 1.00 11.22 H new ATOM 0 HG23 VAL A 5 2.216 -7.504 -4.157 1.00 11.22 H new ATOM 66 N SER A 6 -0.353 -11.631 -2.894 1.00 10.42 N ATOM 67 CA SER A 6 -1.062 -12.481 -1.946 1.00 13.32 C ATOM 68 C SER A 6 -0.721 -12.097 -0.510 1.00 1.55 C ATOM 69 O SER A 6 0.355 -12.423 -0.009 1.00 70.20 O ATOM 70 CB SER A 6 -0.716 -13.952 -2.190 1.00 31.11 C ATOM 71 OG SER A 6 -1.599 -14.807 -1.484 1.00 12.30 O ATOM 0 H SER A 6 0.158 -12.139 -3.616 1.00 10.42 H new ATOM 0 HA SER A 6 -2.132 -12.337 -2.097 1.00 13.32 H new ATOM 0 HB2 SER A 6 -0.769 -14.169 -3.257 1.00 31.11 H new ATOM 0 HB3 SER A 6 0.310 -14.144 -1.876 1.00 31.11 H new ATOM 0 HG SER A 6 -1.580 -15.701 -1.886 1.00 12.30 H new ATOM 77 N GLU A 7 -1.644 -11.403 0.147 1.00 25.12 N ATOM 78 CA GLU A 7 -1.440 -10.973 1.525 1.00 23.40 C ATOM 79 C GLU A 7 -1.262 -12.175 2.448 1.00 11.43 C ATOM 80 O GLU A 7 -0.517 -12.114 3.426 1.00 4.20 O ATOM 81 CB GLU A 7 -2.621 -10.123 1.998 1.00 61.41 C ATOM 82 CG GLU A 7 -2.464 -8.642 1.695 1.00 52.15 C ATOM 83 CD GLU A 7 -3.282 -7.767 2.625 1.00 32.24 C ATOM 84 OE1 GLU A 7 -4.500 -8.015 2.753 1.00 13.40 O ATOM 85 OE2 GLU A 7 -2.706 -6.835 3.223 1.00 63.30 O ATOM 0 H GLU A 7 -2.541 -11.126 -0.253 1.00 25.12 H new ATOM 0 HA GLU A 7 -0.532 -10.371 1.561 1.00 23.40 H new ATOM 0 HB2 GLU A 7 -3.533 -10.488 1.525 1.00 61.41 H new ATOM 0 HB3 GLU A 7 -2.745 -10.254 3.073 1.00 61.41 H new ATOM 0 HG2 GLU A 7 -1.412 -8.368 1.776 1.00 52.15 H new ATOM 0 HG3 GLU A 7 -2.765 -8.452 0.665 1.00 52.15 H new ATOM 92 N GLU A 8 -1.953 -13.265 2.130 1.00 62.33 N ATOM 93 CA GLU A 8 -1.872 -14.481 2.932 1.00 22.01 C ATOM 94 C GLU A 8 -0.433 -14.983 3.017 1.00 45.53 C ATOM 95 O GLU A 8 0.074 -15.266 4.102 1.00 0.33 O ATOM 96 CB GLU A 8 -2.770 -15.569 2.341 1.00 5.22 C ATOM 97 CG GLU A 8 -2.930 -16.783 3.242 1.00 4.01 C ATOM 98 CD GLU A 8 -3.993 -16.584 4.305 1.00 65.32 C ATOM 99 OE1 GLU A 8 -5.171 -16.391 3.936 1.00 10.50 O ATOM 100 OE2 GLU A 8 -3.648 -16.621 5.504 1.00 20.33 O ATOM 0 H GLU A 8 -2.574 -13.331 1.324 1.00 62.33 H new ATOM 0 HA GLU A 8 -2.215 -14.245 3.939 1.00 22.01 H new ATOM 0 HB2 GLU A 8 -3.754 -15.146 2.138 1.00 5.22 H new ATOM 0 HB3 GLU A 8 -2.357 -15.889 1.384 1.00 5.22 H new ATOM 0 HG2 GLU A 8 -3.187 -17.651 2.634 1.00 4.01 H new ATOM 0 HG3 GLU A 8 -1.977 -17.002 3.723 1.00 4.01 H new ATOM 107 N ILE A 9 0.218 -15.091 1.863 1.00 60.43 N ATOM 108 CA ILE A 9 1.597 -15.558 1.807 1.00 52.14 C ATOM 109 C ILE A 9 2.559 -14.498 2.332 1.00 13.42 C ATOM 110 O ILE A 9 3.593 -14.818 2.918 1.00 51.22 O ATOM 111 CB ILE A 9 2.004 -15.937 0.370 1.00 32.12 C ATOM 112 CG1 ILE A 9 0.907 -16.774 -0.290 1.00 51.12 C ATOM 113 CG2 ILE A 9 3.325 -16.693 0.376 1.00 50.42 C ATOM 114 CD1 ILE A 9 1.271 -17.264 -1.675 1.00 72.45 C ATOM 0 H ILE A 9 -0.187 -14.862 0.956 1.00 60.43 H new ATOM 0 HA ILE A 9 1.656 -16.444 2.440 1.00 52.14 H new ATOM 0 HB ILE A 9 2.134 -15.023 -0.209 1.00 32.12 H new ATOM 0 HG12 ILE A 9 0.686 -17.633 0.344 1.00 51.12 H new ATOM 0 HG13 ILE A 9 -0.005 -16.180 -0.352 1.00 51.12 H new ATOM 0 HG21 ILE A 9 3.599 -16.954 -0.646 1.00 50.42 H new ATOM 0 HG22 ILE A 9 4.102 -16.064 0.811 1.00 50.42 H new ATOM 0 HG23 ILE A 9 3.221 -17.603 0.967 1.00 50.42 H new ATOM 0 HD11 ILE A 9 0.447 -17.850 -2.082 1.00 72.45 H new ATOM 0 HD12 ILE A 9 1.464 -16.410 -2.324 1.00 72.45 H new ATOM 0 HD13 ILE A 9 2.165 -17.885 -1.618 1.00 72.45 H new ATOM 126 N LYS A 10 2.210 -13.233 2.122 1.00 24.45 N ATOM 127 CA LYS A 10 3.038 -12.124 2.577 1.00 53.51 C ATOM 128 C LYS A 10 3.380 -12.271 4.056 1.00 24.33 C ATOM 129 O LYS A 10 4.507 -12.005 4.473 1.00 33.51 O ATOM 130 CB LYS A 10 2.323 -10.793 2.337 1.00 74.03 C ATOM 131 CG LYS A 10 3.267 -9.632 2.077 1.00 54.41 C ATOM 132 CD LYS A 10 3.841 -9.080 3.372 1.00 65.13 C ATOM 133 CE LYS A 10 4.612 -7.791 3.134 1.00 45.24 C ATOM 134 NZ LYS A 10 5.696 -7.599 4.136 1.00 3.11 N ATOM 0 H LYS A 10 1.357 -12.951 1.638 1.00 24.45 H new ATOM 0 HA LYS A 10 3.966 -12.138 2.005 1.00 53.51 H new ATOM 0 HB2 LYS A 10 1.650 -10.900 1.486 1.00 74.03 H new ATOM 0 HB3 LYS A 10 1.705 -10.561 3.205 1.00 74.03 H new ATOM 0 HG2 LYS A 10 4.079 -9.960 1.429 1.00 54.41 H new ATOM 0 HG3 LYS A 10 2.736 -8.841 1.547 1.00 54.41 H new ATOM 0 HD2 LYS A 10 3.033 -8.897 4.080 1.00 65.13 H new ATOM 0 HD3 LYS A 10 4.500 -9.821 3.825 1.00 65.13 H new ATOM 0 HE2 LYS A 10 5.042 -7.805 2.132 1.00 45.24 H new ATOM 0 HE3 LYS A 10 3.926 -6.945 3.175 1.00 45.24 H new ATOM 0 HZ1 LYS A 10 6.197 -6.709 3.939 1.00 3.11 H new ATOM 0 HZ2 LYS A 10 5.284 -7.560 5.090 1.00 3.11 H new ATOM 0 HZ3 LYS A 10 6.365 -8.393 4.080 1.00 3.11 H new ATOM 148 N ALA A 11 2.399 -12.697 4.845 1.00 50.21 N ATOM 149 CA ALA A 11 2.597 -12.883 6.278 1.00 34.33 C ATOM 150 C ALA A 11 3.512 -14.071 6.556 1.00 4.45 C ATOM 151 O ALA A 11 4.252 -14.077 7.539 1.00 53.20 O ATOM 152 CB ALA A 11 1.258 -13.072 6.975 1.00 43.42 C ATOM 0 H ALA A 11 1.459 -12.920 4.517 1.00 50.21 H new ATOM 0 HA ALA A 11 3.077 -11.988 6.673 1.00 34.33 H new ATOM 0 HB1 ALA A 11 1.421 -13.210 8.044 1.00 43.42 H new ATOM 0 HB2 ALA A 11 0.636 -12.192 6.813 1.00 43.42 H new ATOM 0 HB3 ALA A 11 0.757 -13.950 6.568 1.00 43.42 H new ATOM 158 N GLN A 12 3.456 -15.072 5.684 1.00 24.33 N ATOM 159 CA GLN A 12 4.280 -16.265 5.839 1.00 2.14 C ATOM 160 C GLN A 12 5.727 -15.981 5.452 1.00 42.14 C ATOM 161 O GLN A 12 6.657 -16.361 6.163 1.00 75.20 O ATOM 162 CB GLN A 12 3.727 -17.407 4.985 1.00 54.01 C ATOM 163 CG GLN A 12 2.539 -18.118 5.615 1.00 32.44 C ATOM 164 CD GLN A 12 2.940 -19.378 6.356 1.00 15.14 C ATOM 165 OE1 GLN A 12 2.802 -20.487 5.839 1.00 41.43 O ATOM 166 NE2 GLN A 12 3.440 -19.213 7.575 1.00 62.23 N ATOM 0 H GLN A 12 2.850 -15.081 4.864 1.00 24.33 H new ATOM 0 HA GLN A 12 4.254 -16.559 6.888 1.00 2.14 H new ATOM 0 HB2 GLN A 12 3.430 -17.012 4.013 1.00 54.01 H new ATOM 0 HB3 GLN A 12 4.520 -18.132 4.805 1.00 54.01 H new ATOM 0 HG2 GLN A 12 2.038 -17.439 6.305 1.00 32.44 H new ATOM 0 HG3 GLN A 12 1.818 -18.372 4.838 1.00 32.44 H new ATOM 0 HE21 GLN A 12 3.536 -18.275 7.964 1.00 62.23 H new ATOM 0 HE22 GLN A 12 3.728 -20.024 8.122 1.00 62.23 H new ATOM 175 N VAL A 13 5.911 -15.309 4.319 1.00 55.30 N ATOM 176 CA VAL A 13 7.245 -14.973 3.838 1.00 61.15 C ATOM 177 C VAL A 13 7.945 -14.005 4.787 1.00 35.34 C ATOM 178 O VAL A 13 9.129 -14.158 5.084 1.00 43.12 O ATOM 179 CB VAL A 13 7.194 -14.348 2.431 1.00 14.51 C ATOM 180 CG1 VAL A 13 6.717 -15.370 1.410 1.00 15.43 C ATOM 181 CG2 VAL A 13 6.296 -13.120 2.427 1.00 71.30 C ATOM 0 H VAL A 13 5.152 -14.987 3.718 1.00 55.30 H new ATOM 0 HA VAL A 13 7.809 -15.905 3.793 1.00 61.15 H new ATOM 0 HB VAL A 13 8.201 -14.035 2.154 1.00 14.51 H new ATOM 0 HG11 VAL A 13 6.687 -14.911 0.422 1.00 15.43 H new ATOM 0 HG12 VAL A 13 7.403 -16.217 1.396 1.00 15.43 H new ATOM 0 HG13 VAL A 13 5.719 -15.715 1.680 1.00 15.43 H new ATOM 0 HG21 VAL A 13 6.271 -12.691 1.425 1.00 71.30 H new ATOM 0 HG22 VAL A 13 5.287 -13.406 2.724 1.00 71.30 H new ATOM 0 HG23 VAL A 13 6.685 -12.382 3.128 1.00 71.30 H new ATOM 191 N MET A 14 7.203 -13.009 5.259 1.00 13.51 N ATOM 192 CA MET A 14 7.751 -12.017 6.175 1.00 42.15 C ATOM 193 C MET A 14 8.021 -12.632 7.546 1.00 13.12 C ATOM 194 O MET A 14 9.009 -12.301 8.201 1.00 73.12 O ATOM 195 CB MET A 14 6.791 -10.834 6.316 1.00 42.43 C ATOM 196 CG MET A 14 5.499 -11.182 7.037 1.00 3.14 C ATOM 197 SD MET A 14 5.573 -10.826 8.803 1.00 42.00 S ATOM 198 CE MET A 14 4.000 -11.487 9.348 1.00 52.44 C ATOM 0 H MET A 14 6.221 -12.868 5.022 1.00 13.51 H new ATOM 0 HA MET A 14 8.695 -11.662 5.762 1.00 42.15 H new ATOM 0 HB2 MET A 14 7.294 -10.031 6.856 1.00 42.43 H new ATOM 0 HB3 MET A 14 6.552 -10.451 5.324 1.00 42.43 H new ATOM 0 HG2 MET A 14 4.677 -10.622 6.591 1.00 3.14 H new ATOM 0 HG3 MET A 14 5.280 -12.240 6.892 1.00 3.14 H new ATOM 0 HE1 MET A 14 3.825 -11.202 10.386 1.00 52.44 H new ATOM 0 HE2 MET A 14 3.201 -11.088 8.723 1.00 52.44 H new ATOM 0 HE3 MET A 14 4.015 -12.574 9.268 1.00 52.44 H new ATOM 208 N GLU A 15 7.136 -13.528 7.971 1.00 31.13 N ATOM 209 CA GLU A 15 7.279 -14.188 9.264 1.00 3.51 C ATOM 210 C GLU A 15 8.478 -15.133 9.262 1.00 40.41 C ATOM 211 O GLU A 15 9.164 -15.284 10.273 1.00 50.11 O ATOM 212 CB GLU A 15 6.007 -14.962 9.610 1.00 51.42 C ATOM 213 CG GLU A 15 6.144 -15.840 10.843 1.00 64.33 C ATOM 214 CD GLU A 15 4.833 -16.486 11.248 1.00 14.11 C ATOM 215 OE1 GLU A 15 4.153 -17.053 10.368 1.00 72.54 O ATOM 216 OE2 GLU A 15 4.488 -16.424 12.447 1.00 12.44 O ATOM 0 H GLU A 15 6.313 -13.813 7.440 1.00 31.13 H new ATOM 0 HA GLU A 15 7.444 -13.420 10.019 1.00 3.51 H new ATOM 0 HB2 GLU A 15 5.193 -14.254 9.767 1.00 51.42 H new ATOM 0 HB3 GLU A 15 5.728 -15.585 8.760 1.00 51.42 H new ATOM 0 HG2 GLU A 15 6.884 -16.617 10.651 1.00 64.33 H new ATOM 0 HG3 GLU A 15 6.520 -15.240 11.672 1.00 64.33 H new ATOM 223 N SER A 16 8.724 -15.766 8.119 1.00 34.34 N ATOM 224 CA SER A 16 9.836 -16.699 7.986 1.00 4.21 C ATOM 225 C SER A 16 11.163 -15.953 7.895 1.00 25.30 C ATOM 226 O SER A 16 12.157 -16.354 8.501 1.00 71.45 O ATOM 227 CB SER A 16 9.647 -17.578 6.748 1.00 21.44 C ATOM 228 OG SER A 16 10.324 -17.035 5.628 1.00 73.30 O ATOM 0 H SER A 16 8.168 -15.649 7.272 1.00 34.34 H new ATOM 0 HA SER A 16 9.855 -17.332 8.873 1.00 4.21 H new ATOM 0 HB2 SER A 16 10.020 -18.582 6.951 1.00 21.44 H new ATOM 0 HB3 SER A 16 8.584 -17.672 6.524 1.00 21.44 H new ATOM 0 HG SER A 16 9.919 -16.176 5.386 1.00 73.30 H new ATOM 234 N VAL A 17 11.172 -14.864 7.134 1.00 40.23 N ATOM 235 CA VAL A 17 12.376 -14.059 6.964 1.00 71.33 C ATOM 236 C VAL A 17 12.821 -13.449 8.288 1.00 73.43 C ATOM 237 O VAL A 17 13.981 -13.572 8.681 1.00 75.50 O ATOM 238 CB VAL A 17 12.156 -12.930 5.939 1.00 54.13 C ATOM 239 CG1 VAL A 17 13.362 -12.004 5.897 1.00 61.33 C ATOM 240 CG2 VAL A 17 11.872 -13.510 4.561 1.00 64.43 C ATOM 0 H VAL A 17 10.359 -14.518 6.625 1.00 40.23 H new ATOM 0 HA VAL A 17 13.154 -14.727 6.596 1.00 71.33 H new ATOM 0 HB VAL A 17 11.290 -12.346 6.249 1.00 54.13 H new ATOM 0 HG11 VAL A 17 13.188 -11.213 5.167 1.00 61.33 H new ATOM 0 HG12 VAL A 17 13.516 -11.562 6.881 1.00 61.33 H new ATOM 0 HG13 VAL A 17 14.247 -12.572 5.612 1.00 61.33 H new ATOM 0 HG21 VAL A 17 11.719 -12.699 3.849 1.00 64.43 H new ATOM 0 HG22 VAL A 17 12.718 -14.119 4.241 1.00 64.43 H new ATOM 0 HG23 VAL A 17 10.976 -14.129 4.604 1.00 64.43 H new ATOM 250 N ILE A 18 11.891 -12.790 8.972 1.00 20.20 N ATOM 251 CA ILE A 18 12.187 -12.161 10.253 1.00 4.21 C ATOM 252 C ILE A 18 12.905 -13.130 11.187 1.00 21.34 C ATOM 253 O ILE A 18 13.968 -12.820 11.721 1.00 62.42 O ATOM 254 CB ILE A 18 10.905 -11.656 10.942 1.00 54.43 C ATOM 255 CG1 ILE A 18 10.270 -10.532 10.122 1.00 21.40 C ATOM 256 CG2 ILE A 18 11.216 -11.180 12.352 1.00 35.43 C ATOM 257 CD1 ILE A 18 8.783 -10.382 10.354 1.00 14.31 C ATOM 0 H ILE A 18 10.926 -12.678 8.660 1.00 20.20 H new ATOM 0 HA ILE A 18 12.837 -11.311 10.045 1.00 4.21 H new ATOM 0 HB ILE A 18 10.194 -12.480 11.006 1.00 54.43 H new ATOM 0 HG12 ILE A 18 10.764 -9.592 10.365 1.00 21.40 H new ATOM 0 HG13 ILE A 18 10.447 -10.721 9.063 1.00 21.40 H new ATOM 0 HG21 ILE A 18 10.301 -10.826 12.827 1.00 35.43 H new ATOM 0 HG22 ILE A 18 11.630 -12.005 12.932 1.00 35.43 H new ATOM 0 HG23 ILE A 18 11.941 -10.367 12.310 1.00 35.43 H new ATOM 0 HD11 ILE A 18 8.399 -9.567 9.741 1.00 14.31 H new ATOM 0 HD12 ILE A 18 8.277 -11.309 10.083 1.00 14.31 H new ATOM 0 HD13 ILE A 18 8.599 -10.162 11.406 1.00 14.31 H new ATOM 269 N GLY A 19 12.315 -14.306 11.379 1.00 20.44 N ATOM 270 CA GLY A 19 12.913 -15.303 12.247 1.00 33.42 C ATOM 271 C GLY A 19 14.116 -15.975 11.617 1.00 43.03 C ATOM 272 O GLY A 19 14.977 -16.508 12.318 1.00 24.14 O ATOM 0 H GLY A 19 11.434 -14.586 10.949 1.00 20.44 H new ATOM 0 HA2 GLY A 19 13.213 -14.832 13.183 1.00 33.42 H new ATOM 0 HA3 GLY A 19 12.167 -16.058 12.495 1.00 33.42 H new ATOM 276 N CYS A 20 14.177 -15.952 10.290 1.00 11.52 N ATOM 277 CA CYS A 20 15.283 -16.566 9.564 1.00 1.22 C ATOM 278 C CYS A 20 16.602 -15.875 9.898 1.00 65.11 C ATOM 279 O CYS A 20 17.590 -16.530 10.233 1.00 25.20 O ATOM 280 CB CYS A 20 15.029 -16.504 8.058 1.00 12.21 C ATOM 281 SG CYS A 20 14.460 -18.064 7.341 1.00 23.42 S ATOM 0 H CYS A 20 13.473 -15.515 9.695 1.00 11.52 H new ATOM 0 HA CYS A 20 15.352 -17.610 9.871 1.00 1.22 H new ATOM 0 HB2 CYS A 20 14.286 -15.732 7.857 1.00 12.21 H new ATOM 0 HB3 CYS A 20 15.948 -16.200 7.557 1.00 12.21 H new ATOM 0 HG CYS A 20 13.169 -18.153 7.464 1.00 23.42 H new ATOM 287 N LEU A 21 16.610 -14.551 9.803 1.00 53.41 N ATOM 288 CA LEU A 21 17.809 -13.770 10.093 1.00 51.22 C ATOM 289 C LEU A 21 17.685 -13.063 11.438 1.00 15.30 C ATOM 290 O LEU A 21 18.558 -12.287 11.827 1.00 53.22 O ATOM 291 CB LEU A 21 18.054 -12.745 8.985 1.00 25.12 C ATOM 292 CG LEU A 21 16.827 -12.324 8.176 1.00 53.32 C ATOM 293 CD1 LEU A 21 17.014 -10.925 7.610 1.00 4.41 C ATOM 294 CD2 LEU A 21 16.558 -13.322 7.058 1.00 52.43 C ATOM 0 H LEU A 21 15.801 -13.995 9.528 1.00 53.41 H new ATOM 0 HA LEU A 21 18.656 -14.454 10.140 1.00 51.22 H new ATOM 0 HB2 LEU A 21 18.492 -11.853 9.433 1.00 25.12 H new ATOM 0 HB3 LEU A 21 18.795 -13.153 8.298 1.00 25.12 H new ATOM 0 HG LEU A 21 15.964 -12.311 8.841 1.00 53.32 H new ATOM 0 HD11 LEU A 21 16.130 -10.643 7.037 1.00 4.41 H new ATOM 0 HD12 LEU A 21 17.158 -10.218 8.427 1.00 4.41 H new ATOM 0 HD13 LEU A 21 17.888 -10.910 6.959 1.00 4.41 H new ATOM 0 HD21 LEU A 21 15.681 -13.007 6.492 1.00 52.43 H new ATOM 0 HD22 LEU A 21 17.421 -13.366 6.394 1.00 52.43 H new ATOM 0 HD23 LEU A 21 16.378 -14.308 7.486 1.00 52.43 H new ATOM 306 N LYS A 22 16.596 -13.338 12.148 1.00 1.40 N ATOM 307 CA LYS A 22 16.358 -12.731 13.452 1.00 75.54 C ATOM 308 C LYS A 22 16.506 -11.214 13.382 1.00 52.33 C ATOM 309 O LYS A 22 17.598 -10.677 13.578 1.00 32.45 O ATOM 310 CB LYS A 22 17.330 -13.302 14.487 1.00 53.14 C ATOM 311 CG LYS A 22 16.936 -14.678 14.996 1.00 11.31 C ATOM 312 CD LYS A 22 18.146 -15.461 15.477 1.00 24.50 C ATOM 313 CE LYS A 22 17.754 -16.846 15.971 1.00 14.00 C ATOM 314 NZ LYS A 22 18.900 -17.555 16.604 1.00 54.14 N ATOM 0 H LYS A 22 15.863 -13.978 11.842 1.00 1.40 H new ATOM 0 HA LYS A 22 15.337 -12.965 13.753 1.00 75.54 H new ATOM 0 HB2 LYS A 22 18.325 -13.358 14.046 1.00 53.14 H new ATOM 0 HB3 LYS A 22 17.393 -12.616 15.331 1.00 53.14 H new ATOM 0 HG2 LYS A 22 16.221 -14.574 15.812 1.00 11.31 H new ATOM 0 HG3 LYS A 22 16.435 -15.231 14.202 1.00 11.31 H new ATOM 0 HD2 LYS A 22 18.867 -15.554 14.665 1.00 24.50 H new ATOM 0 HD3 LYS A 22 18.639 -14.913 16.280 1.00 24.50 H new ATOM 0 HE2 LYS A 22 16.940 -16.758 16.690 1.00 14.00 H new ATOM 0 HE3 LYS A 22 17.379 -17.437 15.135 1.00 14.00 H new ATOM 0 HZ1 LYS A 22 18.592 -18.494 16.927 1.00 54.14 H new ATOM 0 HZ2 LYS A 22 19.668 -17.662 15.911 1.00 54.14 H new ATOM 0 HZ3 LYS A 22 19.242 -17.005 17.417 1.00 54.14 H new ATOM 328 N LEU A 23 15.403 -10.529 13.104 1.00 63.12 N ATOM 329 CA LEU A 23 15.410 -9.074 13.009 1.00 10.22 C ATOM 330 C LEU A 23 15.010 -8.440 14.338 1.00 71.20 C ATOM 331 O LEU A 23 14.354 -9.072 15.165 1.00 42.11 O ATOM 332 CB LEU A 23 14.461 -8.610 11.903 1.00 24.31 C ATOM 333 CG LEU A 23 14.987 -8.733 10.473 1.00 34.40 C ATOM 334 CD1 LEU A 23 16.295 -7.973 10.317 1.00 62.24 C ATOM 335 CD2 LEU A 23 15.170 -10.196 10.096 1.00 71.34 C ATOM 0 H LEU A 23 14.492 -10.958 12.940 1.00 63.12 H new ATOM 0 HA LEU A 23 16.424 -8.755 12.766 1.00 10.22 H new ATOM 0 HB2 LEU A 23 13.537 -9.184 11.980 1.00 24.31 H new ATOM 0 HB3 LEU A 23 14.204 -7.567 12.086 1.00 24.31 H new ATOM 0 HG LEU A 23 14.253 -8.293 9.798 1.00 34.40 H new ATOM 0 HD11 LEU A 23 16.654 -8.072 9.292 1.00 62.24 H new ATOM 0 HD12 LEU A 23 16.133 -6.919 10.544 1.00 62.24 H new ATOM 0 HD13 LEU A 23 17.037 -8.382 11.003 1.00 62.24 H new ATOM 0 HD21 LEU A 23 15.545 -10.264 9.075 1.00 71.34 H new ATOM 0 HD22 LEU A 23 15.884 -10.661 10.777 1.00 71.34 H new ATOM 0 HD23 LEU A 23 14.213 -10.712 10.166 1.00 71.34 H new ATOM 347 N ASN A 24 15.407 -7.187 14.534 1.00 45.20 N ATOM 348 CA ASN A 24 15.088 -6.466 15.761 1.00 65.04 C ATOM 349 C ASN A 24 13.913 -5.518 15.545 1.00 22.23 C ATOM 350 O ASN A 24 13.310 -5.494 14.472 1.00 61.52 O ATOM 351 CB ASN A 24 16.307 -5.682 16.249 1.00 25.14 C ATOM 352 CG ASN A 24 17.609 -6.417 15.988 1.00 24.34 C ATOM 353 OD1 ASN A 24 17.687 -7.636 16.136 1.00 75.32 O ATOM 354 ND2 ASN A 24 18.639 -5.674 15.598 1.00 12.31 N ATOM 0 H ASN A 24 15.950 -6.650 13.859 1.00 45.20 H new ATOM 0 HA ASN A 24 14.808 -7.197 16.519 1.00 65.04 H new ATOM 0 HB2 ASN A 24 16.335 -4.712 15.753 1.00 25.14 H new ATOM 0 HB3 ASN A 24 16.209 -5.491 17.318 1.00 25.14 H new ATOM 0 HD21 ASN A 24 19.541 -6.112 15.408 1.00 12.31 H new ATOM 0 HD22 ASN A 24 18.528 -4.666 15.488 1.00 12.31 H new ATOM 361 N ASP A 25 13.593 -4.737 16.572 1.00 44.23 N ATOM 362 CA ASP A 25 12.491 -3.785 16.494 1.00 34.40 C ATOM 363 C ASP A 25 12.741 -2.753 15.399 1.00 23.34 C ATOM 364 O ASP A 25 11.838 -2.414 14.636 1.00 45.40 O ATOM 365 CB ASP A 25 12.300 -3.085 17.840 1.00 1.51 C ATOM 366 CG ASP A 25 12.385 -4.044 19.010 1.00 64.32 C ATOM 367 OD1 ASP A 25 11.441 -4.839 19.195 1.00 20.14 O ATOM 368 OD2 ASP A 25 13.397 -3.999 19.742 1.00 24.33 O ATOM 0 H ASP A 25 14.081 -4.745 17.468 1.00 44.23 H new ATOM 0 HA ASP A 25 11.583 -4.335 16.247 1.00 34.40 H new ATOM 0 HB2 ASP A 25 13.058 -2.310 17.954 1.00 1.51 H new ATOM 0 HB3 ASP A 25 11.331 -2.587 17.852 1.00 1.51 H new ATOM 373 N GLU A 26 13.972 -2.257 15.330 1.00 23.44 N ATOM 374 CA GLU A 26 14.340 -1.262 14.330 1.00 51.55 C ATOM 375 C GLU A 26 14.208 -1.832 12.921 1.00 41.22 C ATOM 376 O GLU A 26 13.531 -1.257 12.069 1.00 64.53 O ATOM 377 CB GLU A 26 15.772 -0.775 14.564 1.00 23.33 C ATOM 378 CG GLU A 26 15.948 -0.003 15.860 1.00 11.13 C ATOM 379 CD GLU A 26 15.109 1.259 15.906 1.00 33.12 C ATOM 380 OE1 GLU A 26 13.929 1.173 16.306 1.00 53.41 O ATOM 381 OE2 GLU A 26 15.632 2.333 15.543 1.00 10.11 O ATOM 0 H GLU A 26 14.731 -2.528 15.955 1.00 23.44 H new ATOM 0 HA GLU A 26 13.657 -0.418 14.427 1.00 51.55 H new ATOM 0 HB2 GLU A 26 16.443 -1.634 14.569 1.00 23.33 H new ATOM 0 HB3 GLU A 26 16.072 -0.141 13.730 1.00 23.33 H new ATOM 0 HG2 GLU A 26 15.679 -0.644 16.700 1.00 11.13 H new ATOM 0 HG3 GLU A 26 16.999 0.259 15.982 1.00 11.13 H new ATOM 388 N GLN A 27 14.860 -2.966 12.685 1.00 43.14 N ATOM 389 CA GLN A 27 14.817 -3.614 11.379 1.00 70.43 C ATOM 390 C GLN A 27 13.377 -3.833 10.927 1.00 74.33 C ATOM 391 O GLN A 27 13.045 -3.638 9.758 1.00 70.11 O ATOM 392 CB GLN A 27 15.560 -4.950 11.425 1.00 60.33 C ATOM 393 CG GLN A 27 16.959 -4.849 12.008 1.00 35.01 C ATOM 394 CD GLN A 27 17.719 -3.640 11.497 1.00 64.11 C ATOM 395 OE1 GLN A 27 17.703 -2.576 12.116 1.00 33.13 O ATOM 396 NE2 GLN A 27 18.389 -3.799 10.362 1.00 31.11 N ATOM 0 H GLN A 27 15.424 -3.455 13.380 1.00 43.14 H new ATOM 0 HA GLN A 27 15.308 -2.959 10.659 1.00 70.43 H new ATOM 0 HB2 GLN A 27 14.980 -5.659 12.016 1.00 60.33 H new ATOM 0 HB3 GLN A 27 15.625 -5.355 10.415 1.00 60.33 H new ATOM 0 HG2 GLN A 27 16.893 -4.799 13.095 1.00 35.01 H new ATOM 0 HG3 GLN A 27 17.516 -5.753 11.764 1.00 35.01 H new ATOM 0 HE21 GLN A 27 18.374 -4.699 9.883 1.00 31.11 H new ATOM 0 HE22 GLN A 27 18.919 -3.021 9.969 1.00 31.11 H new ATOM 405 N LYS A 28 12.525 -4.240 11.862 1.00 33.40 N ATOM 406 CA LYS A 28 11.120 -4.486 11.561 1.00 0.31 C ATOM 407 C LYS A 28 10.372 -3.174 11.344 1.00 73.13 C ATOM 408 O LYS A 28 9.343 -3.141 10.669 1.00 33.23 O ATOM 409 CB LYS A 28 10.465 -5.275 12.697 1.00 10.45 C ATOM 410 CG LYS A 28 10.921 -6.723 12.773 1.00 2.22 C ATOM 411 CD LYS A 28 10.646 -7.322 14.143 1.00 53.25 C ATOM 412 CE LYS A 28 9.199 -7.768 14.276 1.00 14.30 C ATOM 413 NZ LYS A 28 8.314 -6.655 14.721 1.00 1.02 N ATOM 0 H LYS A 28 12.783 -4.406 12.835 1.00 33.40 H new ATOM 0 HA LYS A 28 11.068 -5.070 10.642 1.00 0.31 H new ATOM 0 HB2 LYS A 28 10.686 -4.783 13.644 1.00 10.45 H new ATOM 0 HB3 LYS A 28 9.383 -5.250 12.569 1.00 10.45 H new ATOM 0 HG2 LYS A 28 10.408 -7.308 12.009 1.00 2.22 H new ATOM 0 HG3 LYS A 28 11.988 -6.782 12.556 1.00 2.22 H new ATOM 0 HD2 LYS A 28 11.307 -8.173 14.308 1.00 53.25 H new ATOM 0 HD3 LYS A 28 10.874 -6.587 14.915 1.00 53.25 H new ATOM 0 HE2 LYS A 28 8.847 -8.151 13.318 1.00 14.30 H new ATOM 0 HE3 LYS A 28 9.136 -8.589 14.990 1.00 14.30 H new ATOM 0 HZ1 LYS A 28 7.723 -6.977 15.514 1.00 1.02 H new ATOM 0 HZ2 LYS A 28 8.896 -5.850 15.028 1.00 1.02 H new ATOM 0 HZ3 LYS A 28 7.704 -6.360 13.932 1.00 1.02 H new ATOM 427 N GLN A 29 10.898 -2.097 11.917 1.00 54.00 N ATOM 428 CA GLN A 29 10.281 -0.782 11.784 1.00 31.22 C ATOM 429 C GLN A 29 10.776 -0.072 10.528 1.00 50.15 C ATOM 430 O GLN A 29 10.179 0.907 10.081 1.00 72.44 O ATOM 431 CB GLN A 29 10.577 0.071 13.018 1.00 30.00 C ATOM 432 CG GLN A 29 9.622 -0.178 14.175 1.00 61.43 C ATOM 433 CD GLN A 29 9.669 0.921 15.218 1.00 52.42 C ATOM 434 OE1 GLN A 29 10.726 1.488 15.492 1.00 3.31 O ATOM 435 NE2 GLN A 29 8.519 1.227 15.806 1.00 52.22 N ATOM 0 H GLN A 29 11.750 -2.108 12.478 1.00 54.00 H new ATOM 0 HA GLN A 29 9.203 -0.921 11.698 1.00 31.22 H new ATOM 0 HB2 GLN A 29 11.596 -0.127 13.350 1.00 30.00 H new ATOM 0 HB3 GLN A 29 10.531 1.124 12.741 1.00 30.00 H new ATOM 0 HG2 GLN A 29 8.606 -0.265 13.790 1.00 61.43 H new ATOM 0 HG3 GLN A 29 9.867 -1.130 14.645 1.00 61.43 H new ATOM 0 HE21 GLN A 29 7.666 0.731 15.548 1.00 52.22 H new ATOM 0 HE22 GLN A 29 8.488 1.958 16.516 1.00 52.22 H new ATOM 444 N ILE A 30 11.871 -0.572 9.966 1.00 2.02 N ATOM 445 CA ILE A 30 12.446 0.015 8.762 1.00 13.22 C ATOM 446 C ILE A 30 12.372 -0.955 7.588 1.00 11.13 C ATOM 447 O ILE A 30 13.134 -0.844 6.628 1.00 22.43 O ATOM 448 CB ILE A 30 13.914 0.425 8.982 1.00 43.52 C ATOM 449 CG1 ILE A 30 14.762 -0.798 9.335 1.00 24.21 C ATOM 450 CG2 ILE A 30 14.012 1.478 10.076 1.00 14.42 C ATOM 451 CD1 ILE A 30 15.535 -1.358 8.162 1.00 63.02 C ATOM 0 H ILE A 30 12.378 -1.381 10.325 1.00 2.02 H new ATOM 0 HA ILE A 30 11.859 0.904 8.533 1.00 13.22 H new ATOM 0 HB ILE A 30 14.298 0.854 8.056 1.00 43.52 H new ATOM 0 HG12 ILE A 30 15.462 -0.528 10.125 1.00 24.21 H new ATOM 0 HG13 ILE A 30 14.113 -1.576 9.736 1.00 24.21 H new ATOM 0 HG21 ILE A 30 15.056 1.757 10.220 1.00 14.42 H new ATOM 0 HG22 ILE A 30 13.437 2.358 9.787 1.00 14.42 H new ATOM 0 HG23 ILE A 30 13.613 1.074 11.007 1.00 14.42 H new ATOM 0 HD11 ILE A 30 16.113 -2.223 8.487 1.00 63.02 H new ATOM 0 HD12 ILE A 30 14.840 -1.660 7.379 1.00 63.02 H new ATOM 0 HD13 ILE A 30 16.210 -0.595 7.774 1.00 63.02 H new ATOM 463 N LEU A 31 11.447 -1.905 7.670 1.00 64.14 N ATOM 464 CA LEU A 31 11.269 -2.895 6.614 1.00 21.12 C ATOM 465 C LEU A 31 10.182 -2.460 5.636 1.00 14.43 C ATOM 466 O LEU A 31 9.293 -1.684 5.987 1.00 1.54 O ATOM 467 CB LEU A 31 10.915 -4.256 7.216 1.00 41.11 C ATOM 468 CG LEU A 31 11.604 -5.467 6.591 1.00 20.21 C ATOM 469 CD1 LEU A 31 11.828 -6.553 7.633 1.00 40.33 C ATOM 470 CD2 LEU A 31 10.785 -6.005 5.426 1.00 12.21 C ATOM 0 H LEU A 31 10.808 -2.011 8.458 1.00 64.14 H new ATOM 0 HA LEU A 31 12.209 -2.980 6.069 1.00 21.12 H new ATOM 0 HB2 LEU A 31 11.157 -4.234 8.279 1.00 41.11 H new ATOM 0 HB3 LEU A 31 9.837 -4.396 7.137 1.00 41.11 H new ATOM 0 HG LEU A 31 12.576 -5.151 6.212 1.00 20.21 H new ATOM 0 HD11 LEU A 31 12.320 -7.407 7.168 1.00 40.33 H new ATOM 0 HD12 LEU A 31 12.456 -6.164 8.434 1.00 40.33 H new ATOM 0 HD13 LEU A 31 10.868 -6.866 8.044 1.00 40.33 H new ATOM 0 HD21 LEU A 31 11.291 -6.868 4.993 1.00 12.21 H new ATOM 0 HD22 LEU A 31 9.799 -6.304 5.782 1.00 12.21 H new ATOM 0 HD23 LEU A 31 10.677 -5.229 4.668 1.00 12.21 H new ATOM 482 N SER A 32 10.260 -2.965 4.410 1.00 11.55 N ATOM 483 CA SER A 32 9.284 -2.627 3.380 1.00 52.24 C ATOM 484 C SER A 32 9.238 -3.704 2.301 1.00 35.45 C ATOM 485 O SER A 32 10.181 -4.478 2.140 1.00 30.51 O ATOM 486 CB SER A 32 9.620 -1.274 2.753 1.00 52.12 C ATOM 487 OG SER A 32 9.197 -1.218 1.402 1.00 54.11 O ATOM 0 H SER A 32 10.989 -3.610 4.105 1.00 11.55 H new ATOM 0 HA SER A 32 8.303 -2.567 3.850 1.00 52.24 H new ATOM 0 HB2 SER A 32 9.139 -0.477 3.321 1.00 52.12 H new ATOM 0 HB3 SER A 32 10.695 -1.101 2.808 1.00 52.12 H new ATOM 0 HG SER A 32 9.422 -0.342 1.025 1.00 54.11 H new ATOM 493 N GLY A 33 8.133 -3.747 1.562 1.00 1.31 N ATOM 494 CA GLY A 33 7.984 -4.731 0.506 1.00 55.30 C ATOM 495 C GLY A 33 8.989 -4.539 -0.612 1.00 2.44 C ATOM 496 O GLY A 33 9.434 -5.507 -1.230 1.00 22.34 O ATOM 0 H GLY A 33 7.338 -3.118 1.676 1.00 1.31 H new ATOM 0 HA2 GLY A 33 8.099 -5.730 0.926 1.00 55.30 H new ATOM 0 HA3 GLY A 33 6.975 -4.671 0.098 1.00 55.30 H new ATOM 500 N THR A 34 9.349 -3.287 -0.875 1.00 51.35 N ATOM 501 CA THR A 34 10.305 -2.970 -1.927 1.00 3.10 C ATOM 502 C THR A 34 11.703 -2.762 -1.356 1.00 64.01 C ATOM 503 O THR A 34 12.440 -1.880 -1.797 1.00 73.14 O ATOM 504 CB THR A 34 9.887 -1.708 -2.706 1.00 42.35 C ATOM 505 OG1 THR A 34 10.041 -0.549 -1.879 1.00 2.24 O ATOM 506 CG2 THR A 34 8.444 -1.815 -3.175 1.00 32.33 C ATOM 0 H THR A 34 8.992 -2.475 -0.372 1.00 51.35 H new ATOM 0 HA THR A 34 10.317 -3.820 -2.609 1.00 3.10 H new ATOM 0 HB THR A 34 10.531 -1.618 -3.581 1.00 42.35 H new ATOM 0 HG1 THR A 34 9.775 0.249 -2.382 1.00 2.24 H new ATOM 0 HG21 THR A 34 8.171 -0.913 -3.722 1.00 32.33 H new ATOM 0 HG22 THR A 34 8.337 -2.682 -3.827 1.00 32.33 H new ATOM 0 HG23 THR A 34 7.788 -1.928 -2.312 1.00 32.33 H new ATOM 514 N THR A 35 12.063 -3.580 -0.373 1.00 44.01 N ATOM 515 CA THR A 35 13.372 -3.485 0.259 1.00 42.43 C ATOM 516 C THR A 35 14.093 -4.828 0.236 1.00 0.31 C ATOM 517 O THR A 35 13.721 -5.755 0.954 1.00 42.14 O ATOM 518 CB THR A 35 13.259 -3.002 1.717 1.00 23.32 C ATOM 519 OG1 THR A 35 12.661 -1.701 1.758 1.00 14.23 O ATOM 520 CG2 THR A 35 14.627 -2.957 2.381 1.00 52.31 C ATOM 0 H THR A 35 11.466 -4.316 0.003 1.00 44.01 H new ATOM 0 HA THR A 35 13.946 -2.757 -0.314 1.00 42.43 H new ATOM 0 HB THR A 35 12.631 -3.708 2.261 1.00 23.32 H new ATOM 0 HG1 THR A 35 12.873 -1.270 2.612 1.00 14.23 H new ATOM 0 HG21 THR A 35 14.521 -2.613 3.410 1.00 52.31 H new ATOM 0 HG22 THR A 35 15.067 -3.954 2.375 1.00 52.31 H new ATOM 0 HG23 THR A 35 15.275 -2.272 1.834 1.00 52.31 H new ATOM 528 N ASN A 36 15.127 -4.925 -0.593 1.00 22.34 N ATOM 529 CA ASN A 36 15.901 -6.156 -0.710 1.00 3.42 C ATOM 530 C ASN A 36 16.441 -6.590 0.649 1.00 24.22 C ATOM 531 O ASN A 36 17.387 -5.997 1.171 1.00 54.35 O ATOM 532 CB ASN A 36 17.057 -5.965 -1.694 1.00 23.01 C ATOM 533 CG ASN A 36 17.653 -7.283 -2.147 1.00 71.14 C ATOM 534 OD1 ASN A 36 17.321 -8.344 -1.616 1.00 42.21 O ATOM 535 ND2 ASN A 36 18.539 -7.223 -3.135 1.00 21.54 N ATOM 0 H ASN A 36 15.449 -4.166 -1.194 1.00 22.34 H new ATOM 0 HA ASN A 36 15.240 -6.937 -1.085 1.00 3.42 H new ATOM 0 HB2 ASN A 36 16.703 -5.411 -2.564 1.00 23.01 H new ATOM 0 HB3 ASN A 36 17.833 -5.360 -1.226 1.00 23.01 H new ATOM 0 HD21 ASN A 36 18.974 -8.078 -3.483 1.00 21.54 H new ATOM 0 HD22 ASN A 36 18.785 -6.322 -3.546 1.00 21.54 H new ATOM 542 N LEU A 37 15.836 -7.627 1.217 1.00 42.04 N ATOM 543 CA LEU A 37 16.258 -8.141 2.516 1.00 41.12 C ATOM 544 C LEU A 37 17.643 -8.773 2.428 1.00 34.43 C ATOM 545 O LEU A 37 18.272 -9.057 3.447 1.00 41.43 O ATOM 546 CB LEU A 37 15.248 -9.168 3.031 1.00 32.32 C ATOM 547 CG LEU A 37 13.777 -8.758 2.956 1.00 23.33 C ATOM 548 CD1 LEU A 37 12.884 -9.987 2.889 1.00 44.55 C ATOM 549 CD2 LEU A 37 13.403 -7.890 4.150 1.00 73.30 C ATOM 0 H LEU A 37 15.052 -8.128 0.799 1.00 42.04 H new ATOM 0 HA LEU A 37 16.305 -7.304 3.213 1.00 41.12 H new ATOM 0 HB2 LEU A 37 15.377 -10.090 2.465 1.00 32.32 H new ATOM 0 HB3 LEU A 37 15.489 -9.396 4.069 1.00 32.32 H new ATOM 0 HG LEU A 37 13.628 -8.175 2.047 1.00 23.33 H new ATOM 0 HD11 LEU A 37 11.841 -9.676 2.836 1.00 44.55 H new ATOM 0 HD12 LEU A 37 13.134 -10.571 2.003 1.00 44.55 H new ATOM 0 HD13 LEU A 37 13.036 -10.596 3.780 1.00 44.55 H new ATOM 0 HD21 LEU A 37 12.353 -7.608 4.080 1.00 73.30 H new ATOM 0 HD22 LEU A 37 13.568 -8.448 5.072 1.00 73.30 H new ATOM 0 HD23 LEU A 37 14.021 -6.992 4.155 1.00 73.30 H new ATOM 561 N ALA A 38 18.114 -8.989 1.204 1.00 11.43 N ATOM 562 CA ALA A 38 19.426 -9.583 0.984 1.00 64.01 C ATOM 563 C ALA A 38 20.520 -8.521 1.008 1.00 74.52 C ATOM 564 O ALA A 38 21.566 -8.706 1.632 1.00 11.43 O ATOM 565 CB ALA A 38 19.449 -10.335 -0.339 1.00 72.25 C ATOM 0 H ALA A 38 17.606 -8.761 0.350 1.00 11.43 H new ATOM 0 HA ALA A 38 19.620 -10.286 1.794 1.00 64.01 H new ATOM 0 HB1 ALA A 38 20.435 -10.774 -0.491 1.00 72.25 H new ATOM 0 HB2 ALA A 38 18.699 -11.126 -0.321 1.00 72.25 H new ATOM 0 HB3 ALA A 38 19.230 -9.645 -1.154 1.00 72.25 H new ATOM 571 N LYS A 39 20.274 -7.408 0.325 1.00 24.43 N ATOM 572 CA LYS A 39 21.238 -6.315 0.269 1.00 74.40 C ATOM 573 C LYS A 39 21.082 -5.389 1.470 1.00 20.11 C ATOM 574 O LYS A 39 22.052 -5.089 2.166 1.00 33.41 O ATOM 575 CB LYS A 39 21.064 -5.521 -1.027 1.00 32.01 C ATOM 576 CG LYS A 39 22.326 -4.805 -1.475 1.00 13.31 C ATOM 577 CD LYS A 39 22.082 -3.972 -2.723 1.00 0.14 C ATOM 578 CE LYS A 39 22.245 -4.801 -3.988 1.00 0.24 C ATOM 579 NZ LYS A 39 21.007 -5.563 -4.314 1.00 32.20 N ATOM 0 H LYS A 39 19.415 -7.239 -0.198 1.00 24.43 H new ATOM 0 HA LYS A 39 22.239 -6.745 0.293 1.00 74.40 H new ATOM 0 HB2 LYS A 39 20.740 -6.198 -1.817 1.00 32.01 H new ATOM 0 HB3 LYS A 39 20.269 -4.788 -0.890 1.00 32.01 H new ATOM 0 HG2 LYS A 39 22.685 -4.162 -0.672 1.00 13.31 H new ATOM 0 HG3 LYS A 39 23.110 -5.536 -1.672 1.00 13.31 H new ATOM 0 HD2 LYS A 39 21.077 -3.551 -2.690 1.00 0.14 H new ATOM 0 HD3 LYS A 39 22.778 -3.134 -2.744 1.00 0.14 H new ATOM 0 HE2 LYS A 39 22.499 -4.146 -4.822 1.00 0.24 H new ATOM 0 HE3 LYS A 39 23.076 -5.495 -3.863 1.00 0.24 H new ATOM 0 HZ1 LYS A 39 20.911 -5.644 -5.346 1.00 32.20 H new ATOM 0 HZ2 LYS A 39 21.064 -6.514 -3.896 1.00 32.20 H new ATOM 0 HZ3 LYS A 39 20.180 -5.064 -3.927 1.00 32.20 H new ATOM 593 N ASP A 40 19.854 -4.940 1.710 1.00 63.34 N ATOM 594 CA ASP A 40 19.569 -4.050 2.829 1.00 12.34 C ATOM 595 C ASP A 40 20.130 -4.617 4.129 1.00 41.35 C ATOM 596 O ASP A 40 21.014 -4.021 4.748 1.00 11.14 O ATOM 597 CB ASP A 40 18.061 -3.830 2.963 1.00 60.32 C ATOM 598 CG ASP A 40 17.727 -2.564 3.727 1.00 10.42 C ATOM 599 OD1 ASP A 40 18.029 -1.466 3.216 1.00 43.03 O ATOM 600 OD2 ASP A 40 17.165 -2.672 4.838 1.00 22.23 O ATOM 0 H ASP A 40 19.040 -5.178 1.144 1.00 63.34 H new ATOM 0 HA ASP A 40 20.051 -3.093 2.632 1.00 12.34 H new ATOM 0 HB2 ASP A 40 17.614 -3.780 1.970 1.00 60.32 H new ATOM 0 HB3 ASP A 40 17.615 -4.686 3.471 1.00 60.32 H new ATOM 605 N PHE A 41 19.613 -5.769 4.540 1.00 51.23 N ATOM 606 CA PHE A 41 20.060 -6.414 5.768 1.00 55.34 C ATOM 607 C PHE A 41 21.388 -7.135 5.551 1.00 13.42 C ATOM 608 O PHE A 41 21.964 -7.691 6.485 1.00 4.32 O ATOM 609 CB PHE A 41 19.004 -7.405 6.263 1.00 32.53 C ATOM 610 CG PHE A 41 17.734 -6.748 6.721 1.00 72.32 C ATOM 611 CD1 PHE A 41 17.772 -5.654 7.572 1.00 12.33 C ATOM 612 CD2 PHE A 41 16.502 -7.223 6.301 1.00 73.13 C ATOM 613 CE1 PHE A 41 16.604 -5.048 7.995 1.00 51.15 C ATOM 614 CE2 PHE A 41 15.331 -6.620 6.721 1.00 63.51 C ATOM 615 CZ PHE A 41 15.382 -5.531 7.568 1.00 32.44 C ATOM 0 H PHE A 41 18.883 -6.276 4.040 1.00 51.23 H new ATOM 0 HA PHE A 41 20.205 -5.641 6.523 1.00 55.34 H new ATOM 0 HB2 PHE A 41 18.772 -8.107 5.462 1.00 32.53 H new ATOM 0 HB3 PHE A 41 19.420 -7.986 7.086 1.00 32.53 H new ATOM 0 HD1 PHE A 41 18.724 -5.271 7.908 1.00 12.33 H new ATOM 0 HD2 PHE A 41 16.456 -8.074 5.638 1.00 73.13 H new ATOM 0 HE1 PHE A 41 16.647 -4.197 8.659 1.00 51.15 H new ATOM 0 HE2 PHE A 41 14.377 -7.001 6.387 1.00 63.51 H new ATOM 0 HZ PHE A 41 14.468 -5.058 7.896 1.00 32.44 H new ATOM 625 N ASN A 42 21.867 -7.121 4.311 1.00 62.01 N ATOM 626 CA ASN A 42 23.125 -7.773 3.970 1.00 43.41 C ATOM 627 C ASN A 42 23.139 -9.217 4.462 1.00 32.20 C ATOM 628 O ASN A 42 23.959 -9.591 5.302 1.00 14.03 O ATOM 629 CB ASN A 42 24.302 -7.005 4.574 1.00 74.50 C ATOM 630 CG ASN A 42 24.854 -5.956 3.629 1.00 43.04 C ATOM 631 OD1 ASN A 42 25.388 -6.279 2.567 1.00 64.32 O ATOM 632 ND2 ASN A 42 24.727 -4.691 4.010 1.00 71.31 N ATOM 0 H ASN A 42 21.402 -6.665 3.526 1.00 62.01 H new ATOM 0 HA ASN A 42 23.222 -7.776 2.884 1.00 43.41 H new ATOM 0 HB2 ASN A 42 23.983 -6.525 5.499 1.00 74.50 H new ATOM 0 HB3 ASN A 42 25.094 -7.707 4.836 1.00 74.50 H new ATOM 0 HD21 ASN A 42 25.079 -3.941 3.415 1.00 71.31 H new ATOM 0 HD22 ASN A 42 24.278 -4.469 4.898 1.00 71.31 H new ATOM 639 N LEU A 43 22.228 -10.026 3.932 1.00 0.14 N ATOM 640 CA LEU A 43 22.136 -11.431 4.316 1.00 4.12 C ATOM 641 C LEU A 43 23.292 -12.234 3.728 1.00 55.50 C ATOM 642 O LEU A 43 23.873 -11.851 2.712 1.00 12.51 O ATOM 643 CB LEU A 43 20.802 -12.020 3.852 1.00 2.23 C ATOM 644 CG LEU A 43 19.575 -11.634 4.678 1.00 32.43 C ATOM 645 CD1 LEU A 43 18.307 -12.173 4.034 1.00 22.23 C ATOM 646 CD2 LEU A 43 19.709 -12.146 6.104 1.00 61.35 C ATOM 0 H LEU A 43 21.543 -9.734 3.235 1.00 0.14 H new ATOM 0 HA LEU A 43 22.194 -11.490 5.403 1.00 4.12 H new ATOM 0 HB2 LEU A 43 20.632 -11.713 2.820 1.00 2.23 H new ATOM 0 HB3 LEU A 43 20.888 -13.107 3.852 1.00 2.23 H new ATOM 0 HG LEU A 43 19.509 -10.546 4.708 1.00 32.43 H new ATOM 0 HD11 LEU A 43 17.444 -11.888 4.636 1.00 22.23 H new ATOM 0 HD12 LEU A 43 18.203 -11.758 3.032 1.00 22.23 H new ATOM 0 HD13 LEU A 43 18.364 -13.260 3.972 1.00 22.23 H new ATOM 0 HD21 LEU A 43 18.826 -11.862 6.677 1.00 61.35 H new ATOM 0 HD22 LEU A 43 19.801 -13.232 6.094 1.00 61.35 H new ATOM 0 HD23 LEU A 43 20.596 -11.711 6.565 1.00 61.35 H new ATOM 658 N ASP A 44 23.619 -13.348 4.372 1.00 13.11 N ATOM 659 CA ASP A 44 24.703 -14.207 3.910 1.00 72.53 C ATOM 660 C ASP A 44 24.178 -15.293 2.977 1.00 75.24 C ATOM 661 O ASP A 44 23.007 -15.667 3.043 1.00 40.44 O ATOM 662 CB ASP A 44 25.420 -14.844 5.102 1.00 51.15 C ATOM 663 CG ASP A 44 26.898 -15.061 4.841 1.00 21.20 C ATOM 664 OD1 ASP A 44 27.572 -14.099 4.414 1.00 30.42 O ATOM 665 OD2 ASP A 44 27.380 -16.191 5.064 1.00 63.34 O ATOM 0 H ASP A 44 23.149 -13.678 5.215 1.00 13.11 H new ATOM 0 HA ASP A 44 25.411 -13.590 3.356 1.00 72.53 H new ATOM 0 HB2 ASP A 44 25.299 -14.207 5.978 1.00 51.15 H new ATOM 0 HB3 ASP A 44 24.951 -15.800 5.336 1.00 51.15 H new ATOM 670 N SER A 45 25.050 -15.793 2.108 1.00 65.32 N ATOM 671 CA SER A 45 24.673 -16.833 1.158 1.00 60.12 C ATOM 672 C SER A 45 24.033 -18.018 1.876 1.00 31.24 C ATOM 673 O SER A 45 23.209 -18.734 1.305 1.00 40.22 O ATOM 674 CB SER A 45 25.896 -17.299 0.367 1.00 63.42 C ATOM 675 OG SER A 45 26.263 -16.346 -0.614 1.00 12.42 O ATOM 0 H SER A 45 26.023 -15.495 2.042 1.00 65.32 H new ATOM 0 HA SER A 45 23.943 -16.412 0.467 1.00 60.12 H new ATOM 0 HB2 SER A 45 26.731 -17.465 1.047 1.00 63.42 H new ATOM 0 HB3 SER A 45 25.681 -18.254 -0.112 1.00 63.42 H new ATOM 0 HG SER A 45 27.048 -16.667 -1.104 1.00 12.42 H new ATOM 681 N LEU A 46 24.420 -18.221 3.130 1.00 71.33 N ATOM 682 CA LEU A 46 23.886 -19.320 3.928 1.00 25.25 C ATOM 683 C LEU A 46 22.445 -19.043 4.340 1.00 62.14 C ATOM 684 O LEU A 46 21.569 -19.893 4.182 1.00 62.33 O ATOM 685 CB LEU A 46 24.751 -19.541 5.170 1.00 13.24 C ATOM 686 CG LEU A 46 26.253 -19.690 4.925 1.00 31.11 C ATOM 687 CD1 LEU A 46 27.038 -19.301 6.169 1.00 42.14 C ATOM 688 CD2 LEU A 46 26.586 -21.114 4.505 1.00 75.23 C ATOM 0 H LEU A 46 25.102 -17.639 3.617 1.00 71.33 H new ATOM 0 HA LEU A 46 23.902 -20.222 3.317 1.00 25.25 H new ATOM 0 HB2 LEU A 46 24.596 -18.703 5.850 1.00 13.24 H new ATOM 0 HB3 LEU A 46 24.396 -20.436 5.681 1.00 13.24 H new ATOM 0 HG LEU A 46 26.538 -19.018 4.116 1.00 31.11 H new ATOM 0 HD11 LEU A 46 28.105 -19.413 5.976 1.00 42.14 H new ATOM 0 HD12 LEU A 46 26.823 -18.264 6.425 1.00 42.14 H new ATOM 0 HD13 LEU A 46 26.749 -19.947 6.998 1.00 42.14 H new ATOM 0 HD21 LEU A 46 27.659 -21.202 4.335 1.00 75.23 H new ATOM 0 HD22 LEU A 46 26.286 -21.805 5.292 1.00 75.23 H new ATOM 0 HD23 LEU A 46 26.052 -21.357 3.586 1.00 75.23 H new ATOM 700 N ASP A 47 22.205 -17.847 4.867 1.00 2.12 N ATOM 701 CA ASP A 47 20.869 -17.457 5.299 1.00 55.22 C ATOM 702 C ASP A 47 19.872 -17.565 4.149 1.00 62.23 C ATOM 703 O ASP A 47 18.800 -18.153 4.296 1.00 64.30 O ATOM 704 CB ASP A 47 20.882 -16.028 5.845 1.00 35.55 C ATOM 705 CG ASP A 47 20.363 -15.945 7.266 1.00 1.24 C ATOM 706 OD1 ASP A 47 21.135 -16.252 8.200 1.00 22.24 O ATOM 707 OD2 ASP A 47 19.185 -15.571 7.447 1.00 73.34 O ATOM 0 H ASP A 47 22.919 -17.131 5.005 1.00 2.12 H new ATOM 0 HA ASP A 47 20.558 -18.138 6.091 1.00 55.22 H new ATOM 0 HB2 ASP A 47 21.899 -15.638 5.810 1.00 35.55 H new ATOM 0 HB3 ASP A 47 20.274 -15.391 5.202 1.00 35.55 H new ATOM 712 N PHE A 48 20.232 -16.994 3.005 1.00 64.30 N ATOM 713 CA PHE A 48 19.369 -17.025 1.830 1.00 64.44 C ATOM 714 C PHE A 48 18.922 -18.450 1.521 1.00 11.41 C ATOM 715 O PHE A 48 17.739 -18.707 1.291 1.00 74.22 O ATOM 716 CB PHE A 48 20.096 -16.433 0.621 1.00 22.22 C ATOM 717 CG PHE A 48 19.170 -15.934 -0.451 1.00 52.44 C ATOM 718 CD1 PHE A 48 18.459 -14.757 -0.277 1.00 63.45 C ATOM 719 CD2 PHE A 48 19.009 -16.642 -1.631 1.00 12.05 C ATOM 720 CE1 PHE A 48 17.605 -14.295 -1.263 1.00 14.24 C ATOM 721 CE2 PHE A 48 18.158 -16.185 -2.619 1.00 10.41 C ATOM 722 CZ PHE A 48 17.455 -15.011 -2.434 1.00 43.02 C ATOM 0 H PHE A 48 21.116 -16.504 2.866 1.00 64.30 H new ATOM 0 HA PHE A 48 18.485 -16.424 2.044 1.00 64.44 H new ATOM 0 HB2 PHE A 48 20.729 -15.611 0.955 1.00 22.22 H new ATOM 0 HB3 PHE A 48 20.755 -17.191 0.197 1.00 22.22 H new ATOM 0 HD1 PHE A 48 18.573 -14.194 0.638 1.00 63.45 H new ATOM 0 HD2 PHE A 48 19.555 -17.562 -1.780 1.00 12.05 H new ATOM 0 HE1 PHE A 48 17.057 -13.376 -1.117 1.00 14.24 H new ATOM 0 HE2 PHE A 48 18.043 -16.745 -3.535 1.00 10.41 H new ATOM 0 HZ PHE A 48 16.788 -14.653 -3.205 1.00 43.02 H new ATOM 732 N VAL A 49 19.876 -19.376 1.517 1.00 31.14 N ATOM 733 CA VAL A 49 19.582 -20.776 1.237 1.00 4.02 C ATOM 734 C VAL A 49 18.454 -21.288 2.125 1.00 75.11 C ATOM 735 O VAL A 49 17.471 -21.846 1.637 1.00 13.45 O ATOM 736 CB VAL A 49 20.825 -21.662 1.442 1.00 23.20 C ATOM 737 CG1 VAL A 49 20.482 -23.126 1.207 1.00 42.05 C ATOM 738 CG2 VAL A 49 21.953 -21.217 0.524 1.00 40.22 C ATOM 0 H VAL A 49 20.859 -19.181 1.705 1.00 31.14 H new ATOM 0 HA VAL A 49 19.273 -20.833 0.193 1.00 4.02 H new ATOM 0 HB VAL A 49 21.161 -21.553 2.473 1.00 23.20 H new ATOM 0 HG11 VAL A 49 21.372 -23.737 1.356 1.00 42.05 H new ATOM 0 HG12 VAL A 49 19.708 -23.436 1.909 1.00 42.05 H new ATOM 0 HG13 VAL A 49 20.120 -23.256 0.187 1.00 42.05 H new ATOM 0 HG21 VAL A 49 22.823 -21.854 0.682 1.00 40.22 H new ATOM 0 HG22 VAL A 49 21.630 -21.295 -0.514 1.00 40.22 H new ATOM 0 HG23 VAL A 49 22.215 -20.182 0.745 1.00 40.22 H new ATOM 748 N ASP A 50 18.602 -21.096 3.430 1.00 22.50 N ATOM 749 CA ASP A 50 17.594 -21.537 4.388 1.00 13.12 C ATOM 750 C ASP A 50 16.268 -20.822 4.150 1.00 71.13 C ATOM 751 O ASP A 50 15.197 -21.381 4.389 1.00 54.43 O ATOM 752 CB ASP A 50 18.075 -21.287 5.818 1.00 0.42 C ATOM 753 CG ASP A 50 19.206 -22.214 6.219 1.00 65.22 C ATOM 754 OD1 ASP A 50 20.357 -21.956 5.811 1.00 24.13 O ATOM 755 OD2 ASP A 50 18.939 -23.198 6.941 1.00 60.22 O ATOM 0 H ASP A 50 19.411 -20.638 3.850 1.00 22.50 H new ATOM 0 HA ASP A 50 17.438 -22.607 4.248 1.00 13.12 H new ATOM 0 HB2 ASP A 50 18.406 -20.253 5.911 1.00 0.42 H new ATOM 0 HB3 ASP A 50 17.241 -21.418 6.507 1.00 0.42 H new ATOM 760 N LEU A 51 16.347 -19.582 3.680 1.00 21.14 N ATOM 761 CA LEU A 51 15.154 -18.787 3.411 1.00 73.32 C ATOM 762 C LEU A 51 14.349 -19.385 2.261 1.00 12.04 C ATOM 763 O LEU A 51 13.177 -19.727 2.423 1.00 41.05 O ATOM 764 CB LEU A 51 15.541 -17.345 3.081 1.00 42.44 C ATOM 765 CG LEU A 51 15.478 -16.351 4.242 1.00 31.31 C ATOM 766 CD1 LEU A 51 16.434 -15.192 4.006 1.00 12.25 C ATOM 767 CD2 LEU A 51 14.056 -15.841 4.431 1.00 62.45 C ATOM 0 H LEU A 51 17.225 -19.105 3.477 1.00 21.14 H new ATOM 0 HA LEU A 51 14.534 -18.794 4.307 1.00 73.32 H new ATOM 0 HB2 LEU A 51 16.556 -17.344 2.683 1.00 42.44 H new ATOM 0 HB3 LEU A 51 14.886 -16.987 2.286 1.00 42.44 H new ATOM 0 HG LEU A 51 15.783 -16.867 5.153 1.00 31.31 H new ATOM 0 HD11 LEU A 51 16.375 -14.496 4.842 1.00 12.25 H new ATOM 0 HD12 LEU A 51 17.452 -15.572 3.921 1.00 12.25 H new ATOM 0 HD13 LEU A 51 16.161 -14.677 3.085 1.00 12.25 H new ATOM 0 HD21 LEU A 51 14.030 -15.135 5.261 1.00 62.45 H new ATOM 0 HD22 LEU A 51 13.724 -15.343 3.520 1.00 62.45 H new ATOM 0 HD23 LEU A 51 13.394 -16.680 4.647 1.00 62.45 H new ATOM 779 N ILE A 52 14.987 -19.511 1.103 1.00 42.41 N ATOM 780 CA ILE A 52 14.331 -20.072 -0.072 1.00 64.52 C ATOM 781 C ILE A 52 13.835 -21.488 0.198 1.00 62.04 C ATOM 782 O ILE A 52 12.755 -21.874 -0.250 1.00 73.21 O ATOM 783 CB ILE A 52 15.277 -20.095 -1.287 1.00 52.01 C ATOM 784 CG1 ILE A 52 16.569 -20.840 -0.942 1.00 60.25 C ATOM 785 CG2 ILE A 52 15.584 -18.677 -1.747 1.00 40.14 C ATOM 786 CD1 ILE A 52 17.599 -20.808 -2.049 1.00 45.42 C ATOM 0 H ILE A 52 15.957 -19.233 0.953 1.00 42.41 H new ATOM 0 HA ILE A 52 13.480 -19.428 -0.295 1.00 64.52 H new ATOM 0 HB ILE A 52 14.783 -20.622 -2.103 1.00 52.01 H new ATOM 0 HG12 ILE A 52 17.001 -20.403 -0.042 1.00 60.25 H new ATOM 0 HG13 ILE A 52 16.329 -21.878 -0.709 1.00 60.25 H new ATOM 0 HG21 ILE A 52 16.254 -18.710 -2.606 1.00 40.14 H new ATOM 0 HG22 ILE A 52 14.657 -18.177 -2.028 1.00 40.14 H new ATOM 0 HG23 ILE A 52 16.061 -18.127 -0.936 1.00 40.14 H new ATOM 0 HD11 ILE A 52 18.488 -21.355 -1.735 1.00 45.42 H new ATOM 0 HD12 ILE A 52 17.185 -21.271 -2.945 1.00 45.42 H new ATOM 0 HD13 ILE A 52 17.867 -19.774 -2.266 1.00 45.42 H new ATOM 798 N MET A 53 14.629 -22.257 0.936 1.00 51.11 N ATOM 799 CA MET A 53 14.268 -23.629 1.270 1.00 32.40 C ATOM 800 C MET A 53 13.082 -23.663 2.228 1.00 13.42 C ATOM 801 O MET A 53 12.174 -24.480 2.080 1.00 74.24 O ATOM 802 CB MET A 53 15.461 -24.356 1.891 1.00 44.13 C ATOM 803 CG MET A 53 16.537 -24.731 0.885 1.00 25.10 C ATOM 804 SD MET A 53 17.141 -26.415 1.107 1.00 72.30 S ATOM 805 CE MET A 53 15.641 -27.353 0.830 1.00 3.12 C ATOM 0 H MET A 53 15.526 -21.953 1.314 1.00 51.11 H new ATOM 0 HA MET A 53 13.982 -24.136 0.349 1.00 32.40 H new ATOM 0 HB2 MET A 53 15.901 -23.723 2.661 1.00 44.13 H new ATOM 0 HB3 MET A 53 15.107 -25.260 2.386 1.00 44.13 H new ATOM 0 HG2 MET A 53 16.139 -24.622 -0.124 1.00 25.10 H new ATOM 0 HG3 MET A 53 17.371 -24.035 0.975 1.00 25.10 H new ATOM 0 HE1 MET A 53 15.894 -28.334 0.427 1.00 3.12 H new ATOM 0 HE2 MET A 53 15.108 -27.475 1.773 1.00 3.12 H new ATOM 0 HE3 MET A 53 15.006 -26.822 0.121 1.00 3.12 H new ATOM 815 N SER A 54 13.097 -22.768 3.213 1.00 2.33 N ATOM 816 CA SER A 54 12.024 -22.699 4.198 1.00 62.54 C ATOM 817 C SER A 54 10.685 -22.415 3.524 1.00 44.30 C ATOM 818 O SER A 54 9.712 -23.145 3.719 1.00 20.01 O ATOM 819 CB SER A 54 12.326 -21.615 5.235 1.00 71.54 C ATOM 820 OG SER A 54 11.197 -21.365 6.054 1.00 73.12 O ATOM 0 H SER A 54 13.840 -22.082 3.349 1.00 2.33 H new ATOM 0 HA SER A 54 11.961 -23.665 4.699 1.00 62.54 H new ATOM 0 HB2 SER A 54 13.168 -21.924 5.855 1.00 71.54 H new ATOM 0 HB3 SER A 54 12.623 -20.696 4.729 1.00 71.54 H new ATOM 0 HG SER A 54 11.416 -20.670 6.709 1.00 73.12 H new ATOM 826 N LEU A 55 10.643 -21.350 2.732 1.00 14.25 N ATOM 827 CA LEU A 55 9.423 -20.968 2.028 1.00 10.24 C ATOM 828 C LEU A 55 9.033 -22.026 1.001 1.00 75.25 C ATOM 829 O LEU A 55 7.852 -22.325 0.822 1.00 71.11 O ATOM 830 CB LEU A 55 9.612 -19.616 1.337 1.00 41.14 C ATOM 831 CG LEU A 55 9.213 -18.385 2.151 1.00 21.31 C ATOM 832 CD1 LEU A 55 9.661 -17.113 1.449 1.00 72.20 C ATOM 833 CD2 LEU A 55 7.709 -18.366 2.386 1.00 42.13 C ATOM 0 H LEU A 55 11.439 -20.735 2.561 1.00 14.25 H new ATOM 0 HA LEU A 55 8.620 -20.886 2.761 1.00 10.24 H new ATOM 0 HB2 LEU A 55 10.661 -19.517 1.057 1.00 41.14 H new ATOM 0 HB3 LEU A 55 9.034 -19.619 0.413 1.00 41.14 H new ATOM 0 HG LEU A 55 9.711 -18.436 3.119 1.00 21.31 H new ATOM 0 HD11 LEU A 55 9.368 -16.247 2.043 1.00 72.20 H new ATOM 0 HD12 LEU A 55 10.745 -17.124 1.333 1.00 72.20 H new ATOM 0 HD13 LEU A 55 9.192 -17.055 0.467 1.00 72.20 H new ATOM 0 HD21 LEU A 55 7.443 -17.483 2.967 1.00 42.13 H new ATOM 0 HD22 LEU A 55 7.191 -18.339 1.427 1.00 42.13 H new ATOM 0 HD23 LEU A 55 7.415 -19.262 2.932 1.00 42.13 H new ATOM 845 N GLU A 56 10.033 -22.593 0.333 1.00 54.04 N ATOM 846 CA GLU A 56 9.792 -23.619 -0.675 1.00 2.32 C ATOM 847 C GLU A 56 8.994 -24.780 -0.089 1.00 62.44 C ATOM 848 O GLU A 56 7.968 -25.180 -0.638 1.00 54.25 O ATOM 849 CB GLU A 56 11.119 -24.131 -1.239 1.00 1.43 C ATOM 850 CG GLU A 56 10.955 -25.201 -2.306 1.00 42.31 C ATOM 851 CD GLU A 56 12.220 -26.008 -2.522 1.00 5.51 C ATOM 852 OE1 GLU A 56 12.924 -26.285 -1.529 1.00 14.34 O ATOM 853 OE2 GLU A 56 12.506 -26.364 -3.685 1.00 62.11 O ATOM 0 H GLU A 56 11.016 -22.360 0.471 1.00 54.04 H new ATOM 0 HA GLU A 56 9.211 -23.172 -1.481 1.00 2.32 H new ATOM 0 HB2 GLU A 56 11.673 -23.292 -1.660 1.00 1.43 H new ATOM 0 HB3 GLU A 56 11.720 -24.533 -0.423 1.00 1.43 H new ATOM 0 HG2 GLU A 56 10.145 -25.872 -2.021 1.00 42.31 H new ATOM 0 HG3 GLU A 56 10.664 -24.731 -3.245 1.00 42.31 H new ATOM 860 N GLU A 57 9.475 -25.316 1.028 1.00 54.50 N ATOM 861 CA GLU A 57 8.807 -26.433 1.688 1.00 24.33 C ATOM 862 C GLU A 57 7.513 -25.975 2.355 1.00 63.24 C ATOM 863 O GLU A 57 6.553 -26.737 2.458 1.00 51.32 O ATOM 864 CB GLU A 57 9.733 -27.068 2.727 1.00 70.42 C ATOM 865 CG GLU A 57 10.039 -26.159 3.906 1.00 45.51 C ATOM 866 CD GLU A 57 10.891 -26.838 4.960 1.00 41.40 C ATOM 867 OE1 GLU A 57 12.064 -27.151 4.665 1.00 54.52 O ATOM 868 OE2 GLU A 57 10.385 -27.057 6.081 1.00 54.44 O ATOM 0 H GLU A 57 10.323 -24.996 1.495 1.00 54.50 H new ATOM 0 HA GLU A 57 8.561 -27.176 0.929 1.00 24.33 H new ATOM 0 HB2 GLU A 57 9.276 -27.986 3.096 1.00 70.42 H new ATOM 0 HB3 GLU A 57 10.669 -27.350 2.244 1.00 70.42 H new ATOM 0 HG2 GLU A 57 10.553 -25.267 3.548 1.00 45.51 H new ATOM 0 HG3 GLU A 57 9.104 -25.829 4.358 1.00 45.51 H new ATOM 875 N ARG A 58 7.497 -24.725 2.807 1.00 53.32 N ATOM 876 CA ARG A 58 6.323 -24.166 3.466 1.00 13.33 C ATOM 877 C ARG A 58 5.102 -24.240 2.555 1.00 74.53 C ATOM 878 O ARG A 58 4.066 -24.787 2.933 1.00 31.54 O ATOM 879 CB ARG A 58 6.583 -22.713 3.870 1.00 54.15 C ATOM 880 CG ARG A 58 5.400 -22.052 4.560 1.00 74.42 C ATOM 881 CD ARG A 58 5.359 -22.393 6.042 1.00 52.45 C ATOM 882 NE ARG A 58 6.591 -22.013 6.726 1.00 53.44 N ATOM 883 CZ ARG A 58 6.944 -20.754 6.959 1.00 23.30 C ATOM 884 NH1 ARG A 58 6.162 -19.759 6.564 1.00 42.21 N ATOM 885 NH2 ARG A 58 8.082 -20.487 7.587 1.00 23.43 N ATOM 0 H ARG A 58 8.284 -24.081 2.729 1.00 53.32 H new ATOM 0 HA ARG A 58 6.124 -24.756 4.361 1.00 13.33 H new ATOM 0 HB2 ARG A 58 7.446 -22.678 4.535 1.00 54.15 H new ATOM 0 HB3 ARG A 58 6.842 -22.138 2.981 1.00 54.15 H new ATOM 0 HG2 ARG A 58 5.462 -20.971 4.436 1.00 74.42 H new ATOM 0 HG3 ARG A 58 4.473 -22.375 4.085 1.00 74.42 H new ATOM 0 HD2 ARG A 58 4.515 -21.885 6.507 1.00 52.45 H new ATOM 0 HD3 ARG A 58 5.193 -23.463 6.163 1.00 52.45 H new ATOM 0 HE ARG A 58 7.215 -22.755 7.042 1.00 53.44 H new ATOM 0 HH11 ARG A 58 5.287 -19.959 6.080 1.00 42.21 H new ATOM 0 HH12 ARG A 58 6.435 -18.793 6.744 1.00 42.21 H new ATOM 0 HH21 ARG A 58 8.687 -21.249 7.892 1.00 23.43 H new ATOM 0 HH22 ARG A 58 8.351 -19.519 7.765 1.00 23.43 H new ATOM 899 N PHE A 59 5.230 -23.687 1.355 1.00 13.35 N ATOM 900 CA PHE A 59 4.136 -23.689 0.390 1.00 45.43 C ATOM 901 C PHE A 59 4.329 -24.790 -0.648 1.00 63.14 C ATOM 902 O PHE A 59 3.635 -24.828 -1.665 1.00 53.21 O ATOM 903 CB PHE A 59 4.037 -22.329 -0.304 1.00 45.14 C ATOM 904 CG PHE A 59 3.585 -21.223 0.607 1.00 12.43 C ATOM 905 CD1 PHE A 59 4.499 -20.536 1.390 1.00 75.51 C ATOM 906 CD2 PHE A 59 2.247 -20.870 0.680 1.00 71.35 C ATOM 907 CE1 PHE A 59 4.087 -19.518 2.228 1.00 32.52 C ATOM 908 CE2 PHE A 59 1.829 -19.852 1.515 1.00 62.10 C ATOM 909 CZ PHE A 59 2.750 -19.176 2.292 1.00 34.21 C ATOM 0 H PHE A 59 6.081 -23.231 1.026 1.00 13.35 H new ATOM 0 HA PHE A 59 3.209 -23.881 0.930 1.00 45.43 H new ATOM 0 HB2 PHE A 59 5.011 -22.071 -0.721 1.00 45.14 H new ATOM 0 HB3 PHE A 59 3.343 -22.407 -1.141 1.00 45.14 H new ATOM 0 HD1 PHE A 59 5.545 -20.799 1.345 1.00 75.51 H new ATOM 0 HD2 PHE A 59 1.522 -21.397 0.077 1.00 71.35 H new ATOM 0 HE1 PHE A 59 4.809 -18.990 2.833 1.00 32.52 H new ATOM 0 HE2 PHE A 59 0.784 -19.585 1.560 1.00 62.10 H new ATOM 0 HZ PHE A 59 2.425 -18.382 2.948 1.00 34.21 H new ATOM 919 N SER A 60 5.277 -25.684 -0.385 1.00 31.03 N ATOM 920 CA SER A 60 5.566 -26.783 -1.299 1.00 23.01 C ATOM 921 C SER A 60 5.790 -26.267 -2.717 1.00 74.45 C ATOM 922 O SER A 60 5.519 -26.965 -3.695 1.00 64.52 O ATOM 923 CB SER A 60 4.419 -27.796 -1.289 1.00 35.11 C ATOM 924 OG SER A 60 3.786 -27.838 -0.022 1.00 74.33 O ATOM 0 H SER A 60 5.858 -25.669 0.453 1.00 31.03 H new ATOM 0 HA SER A 60 6.479 -27.273 -0.961 1.00 23.01 H new ATOM 0 HB2 SER A 60 3.690 -27.532 -2.055 1.00 35.11 H new ATOM 0 HB3 SER A 60 4.801 -28.785 -1.541 1.00 35.11 H new ATOM 0 HG SER A 60 3.056 -28.491 -0.043 1.00 74.33 H new ATOM 930 N LEU A 61 6.290 -25.040 -2.821 1.00 21.40 N ATOM 931 CA LEU A 61 6.552 -24.428 -4.119 1.00 71.22 C ATOM 932 C LEU A 61 7.811 -25.013 -4.751 1.00 54.53 C ATOM 933 O LEU A 61 8.690 -25.520 -4.055 1.00 0.43 O ATOM 934 CB LEU A 61 6.700 -22.913 -3.969 1.00 74.25 C ATOM 935 CG LEU A 61 7.020 -22.141 -5.250 1.00 13.52 C ATOM 936 CD1 LEU A 61 5.915 -22.327 -6.277 1.00 25.20 C ATOM 937 CD2 LEU A 61 7.223 -20.663 -4.944 1.00 62.50 C ATOM 0 H LEU A 61 6.522 -24.450 -2.022 1.00 21.40 H new ATOM 0 HA LEU A 61 5.706 -24.642 -4.772 1.00 71.22 H new ATOM 0 HB2 LEU A 61 5.774 -22.517 -3.551 1.00 74.25 H new ATOM 0 HB3 LEU A 61 7.488 -22.715 -3.242 1.00 74.25 H new ATOM 0 HG LEU A 61 7.945 -22.537 -5.668 1.00 13.52 H new ATOM 0 HD11 LEU A 61 6.161 -21.770 -7.181 1.00 25.20 H new ATOM 0 HD12 LEU A 61 5.817 -23.385 -6.518 1.00 25.20 H new ATOM 0 HD13 LEU A 61 4.974 -21.959 -5.869 1.00 25.20 H new ATOM 0 HD21 LEU A 61 7.450 -20.128 -5.866 1.00 62.50 H new ATOM 0 HD22 LEU A 61 6.314 -20.255 -4.502 1.00 62.50 H new ATOM 0 HD23 LEU A 61 8.051 -20.547 -4.244 1.00 62.50 H new ATOM 949 N GLU A 62 7.891 -24.937 -6.076 1.00 64.11 N ATOM 950 CA GLU A 62 9.043 -25.458 -6.802 1.00 40.54 C ATOM 951 C GLU A 62 9.944 -24.322 -7.280 1.00 32.21 C ATOM 952 O GLU A 62 9.720 -23.744 -8.344 1.00 65.30 O ATOM 953 CB GLU A 62 8.585 -26.297 -7.996 1.00 3.23 C ATOM 954 CG GLU A 62 7.698 -27.469 -7.613 1.00 44.02 C ATOM 955 CD GLU A 62 6.231 -27.092 -7.542 1.00 2.22 C ATOM 956 OE1 GLU A 62 5.756 -26.383 -8.453 1.00 32.41 O ATOM 957 OE2 GLU A 62 5.558 -27.508 -6.576 1.00 33.24 O ATOM 0 H GLU A 62 7.172 -24.520 -6.668 1.00 64.11 H new ATOM 0 HA GLU A 62 9.614 -26.090 -6.121 1.00 40.54 H new ATOM 0 HB2 GLU A 62 8.045 -25.656 -8.693 1.00 3.23 H new ATOM 0 HB3 GLU A 62 9.462 -26.673 -8.523 1.00 3.23 H new ATOM 0 HG2 GLU A 62 7.828 -28.271 -8.340 1.00 44.02 H new ATOM 0 HG3 GLU A 62 8.016 -27.860 -6.646 1.00 44.02 H new ATOM 964 N ILE A 63 10.962 -24.009 -6.487 1.00 12.34 N ATOM 965 CA ILE A 63 11.897 -22.943 -6.828 1.00 13.42 C ATOM 966 C ILE A 63 13.199 -23.511 -7.384 1.00 50.35 C ATOM 967 O ILE A 63 13.693 -24.534 -6.911 1.00 1.03 O ATOM 968 CB ILE A 63 12.215 -22.061 -5.607 1.00 13.21 C ATOM 969 CG1 ILE A 63 10.921 -21.584 -4.944 1.00 12.13 C ATOM 970 CG2 ILE A 63 13.073 -20.874 -6.020 1.00 44.33 C ATOM 971 CD1 ILE A 63 11.147 -20.837 -3.648 1.00 31.30 C ATOM 0 H ILE A 63 11.161 -24.478 -5.603 1.00 12.34 H new ATOM 0 HA ILE A 63 11.414 -22.332 -7.591 1.00 13.42 H new ATOM 0 HB ILE A 63 12.774 -22.655 -4.884 1.00 13.21 H new ATOM 0 HG12 ILE A 63 10.383 -20.938 -5.638 1.00 12.13 H new ATOM 0 HG13 ILE A 63 10.282 -22.446 -4.751 1.00 12.13 H new ATOM 0 HG21 ILE A 63 13.289 -20.260 -5.146 1.00 44.33 H new ATOM 0 HG22 ILE A 63 14.007 -21.233 -6.452 1.00 44.33 H new ATOM 0 HG23 ILE A 63 12.538 -20.278 -6.759 1.00 44.33 H new ATOM 0 HD11 ILE A 63 10.187 -20.529 -3.234 1.00 31.30 H new ATOM 0 HD12 ILE A 63 11.657 -21.487 -2.937 1.00 31.30 H new ATOM 0 HD13 ILE A 63 11.760 -19.956 -3.838 1.00 31.30 H new ATOM 983 N SER A 64 13.749 -22.839 -8.390 1.00 62.12 N ATOM 984 CA SER A 64 14.992 -23.278 -9.012 1.00 24.42 C ATOM 985 C SER A 64 16.121 -22.291 -8.724 1.00 43.13 C ATOM 986 O SER A 64 15.971 -21.378 -7.913 1.00 51.43 O ATOM 987 CB SER A 64 14.806 -23.430 -10.523 1.00 11.30 C ATOM 988 OG SER A 64 13.508 -23.907 -10.830 1.00 62.42 O ATOM 0 H SER A 64 13.353 -21.989 -8.791 1.00 62.12 H new ATOM 0 HA SER A 64 15.260 -24.245 -8.587 1.00 24.42 H new ATOM 0 HB2 SER A 64 14.969 -22.469 -11.011 1.00 11.30 H new ATOM 0 HB3 SER A 64 15.553 -24.119 -10.917 1.00 11.30 H new ATOM 0 HG SER A 64 12.867 -23.168 -10.777 1.00 62.42 H new ATOM 994 N ASP A 65 17.252 -22.484 -9.395 1.00 62.34 N ATOM 995 CA ASP A 65 18.406 -21.612 -9.214 1.00 23.42 C ATOM 996 C ASP A 65 18.205 -20.286 -9.940 1.00 74.13 C ATOM 997 O ASP A 65 18.522 -19.223 -9.408 1.00 54.05 O ATOM 998 CB ASP A 65 19.675 -22.299 -9.722 1.00 52.11 C ATOM 999 CG ASP A 65 20.463 -22.958 -8.607 1.00 70.32 C ATOM 1000 OD1 ASP A 65 19.834 -23.453 -7.648 1.00 61.43 O ATOM 1001 OD2 ASP A 65 21.708 -22.979 -8.692 1.00 71.50 O ATOM 0 H ASP A 65 17.394 -23.237 -10.069 1.00 62.34 H new ATOM 0 HA ASP A 65 18.513 -21.409 -8.149 1.00 23.42 H new ATOM 0 HB2 ASP A 65 19.406 -23.050 -10.465 1.00 52.11 H new ATOM 0 HB3 ASP A 65 20.306 -21.565 -10.224 1.00 52.11 H new ATOM 1006 N GLU A 66 17.677 -20.358 -11.158 1.00 21.54 N ATOM 1007 CA GLU A 66 17.436 -19.162 -11.957 1.00 3.53 C ATOM 1008 C GLU A 66 16.226 -18.394 -11.435 1.00 44.45 C ATOM 1009 O GLU A 66 16.171 -17.167 -11.524 1.00 51.24 O ATOM 1010 CB GLU A 66 17.222 -19.538 -13.425 1.00 13.04 C ATOM 1011 CG GLU A 66 18.466 -19.382 -14.282 1.00 65.22 C ATOM 1012 CD GLU A 66 19.626 -20.222 -13.785 1.00 70.22 C ATOM 1013 OE1 GLU A 66 19.401 -21.402 -13.442 1.00 75.31 O ATOM 1014 OE2 GLU A 66 20.760 -19.700 -13.737 1.00 23.41 O ATOM 0 H GLU A 66 17.408 -21.231 -11.612 1.00 21.54 H new ATOM 0 HA GLU A 66 18.313 -18.520 -11.878 1.00 3.53 H new ATOM 0 HB2 GLU A 66 16.881 -20.572 -13.480 1.00 13.04 H new ATOM 0 HB3 GLU A 66 16.427 -18.917 -13.838 1.00 13.04 H new ATOM 0 HG2 GLU A 66 18.233 -19.663 -15.309 1.00 65.22 H new ATOM 0 HG3 GLU A 66 18.762 -18.333 -14.298 1.00 65.22 H new ATOM 1021 N ASP A 67 15.259 -19.124 -10.892 1.00 50.34 N ATOM 1022 CA ASP A 67 14.048 -18.512 -10.355 1.00 4.40 C ATOM 1023 C ASP A 67 14.389 -17.497 -9.268 1.00 63.04 C ATOM 1024 O ASP A 67 13.865 -16.383 -9.260 1.00 63.01 O ATOM 1025 CB ASP A 67 13.115 -19.586 -9.792 1.00 31.35 C ATOM 1026 CG ASP A 67 12.760 -20.642 -10.821 1.00 43.02 C ATOM 1027 OD1 ASP A 67 13.099 -20.452 -12.008 1.00 3.12 O ATOM 1028 OD2 ASP A 67 12.145 -21.659 -10.438 1.00 23.01 O ATOM 0 H ASP A 67 15.289 -20.140 -10.812 1.00 50.34 H new ATOM 0 HA ASP A 67 13.542 -17.991 -11.168 1.00 4.40 H new ATOM 0 HB2 ASP A 67 13.590 -20.063 -8.935 1.00 31.35 H new ATOM 0 HB3 ASP A 67 12.201 -19.115 -9.429 1.00 31.35 H new ATOM 1033 N ALA A 68 15.268 -17.890 -8.352 1.00 50.52 N ATOM 1034 CA ALA A 68 15.679 -17.015 -7.263 1.00 14.12 C ATOM 1035 C ALA A 68 16.544 -15.867 -7.775 1.00 75.14 C ATOM 1036 O ALA A 68 16.656 -14.825 -7.130 1.00 20.01 O ATOM 1037 CB ALA A 68 16.428 -17.808 -6.202 1.00 45.43 C ATOM 0 H ALA A 68 15.709 -18.810 -8.343 1.00 50.52 H new ATOM 0 HA ALA A 68 14.781 -16.588 -6.817 1.00 14.12 H new ATOM 0 HB1 ALA A 68 16.729 -17.141 -5.394 1.00 45.43 H new ATOM 0 HB2 ALA A 68 15.779 -18.588 -5.805 1.00 45.43 H new ATOM 0 HB3 ALA A 68 17.313 -18.263 -6.646 1.00 45.43 H new ATOM 1043 N GLN A 69 17.152 -16.067 -8.940 1.00 33.43 N ATOM 1044 CA GLN A 69 18.008 -15.048 -9.539 1.00 50.50 C ATOM 1045 C GLN A 69 17.255 -13.732 -9.701 1.00 42.43 C ATOM 1046 O GLN A 69 17.860 -12.660 -9.745 1.00 20.02 O ATOM 1047 CB GLN A 69 18.527 -15.523 -10.897 1.00 42.55 C ATOM 1048 CG GLN A 69 20.018 -15.298 -11.090 1.00 42.41 C ATOM 1049 CD GLN A 69 20.618 -16.221 -12.133 1.00 21.43 C ATOM 1050 OE1 GLN A 69 21.038 -17.336 -11.824 1.00 60.33 O ATOM 1051 NE2 GLN A 69 20.659 -15.760 -13.377 1.00 70.11 N ATOM 0 H GLN A 69 17.068 -16.924 -9.487 1.00 33.43 H new ATOM 0 HA GLN A 69 18.854 -14.882 -8.872 1.00 50.50 H new ATOM 0 HB2 GLN A 69 18.311 -16.586 -11.008 1.00 42.55 H new ATOM 0 HB3 GLN A 69 17.984 -15.003 -11.686 1.00 42.55 H new ATOM 0 HG2 GLN A 69 20.190 -14.263 -11.385 1.00 42.41 H new ATOM 0 HG3 GLN A 69 20.530 -15.448 -10.140 1.00 42.41 H new ATOM 0 HE21 GLN A 69 20.299 -14.829 -13.588 1.00 70.11 H new ATOM 0 HE22 GLN A 69 21.050 -16.337 -14.122 1.00 70.11 H new ATOM 1060 N LYS A 70 15.933 -13.819 -9.788 1.00 74.45 N ATOM 1061 CA LYS A 70 15.096 -12.635 -9.944 1.00 1.53 C ATOM 1062 C LYS A 70 14.260 -12.391 -8.692 1.00 1.43 C ATOM 1063 O LYS A 70 13.347 -11.563 -8.694 1.00 51.12 O ATOM 1064 CB LYS A 70 14.179 -12.790 -11.160 1.00 34.22 C ATOM 1065 CG LYS A 70 12.951 -13.642 -10.893 1.00 63.44 C ATOM 1066 CD LYS A 70 12.471 -14.340 -12.153 1.00 33.11 C ATOM 1067 CE LYS A 70 13.110 -15.713 -12.308 1.00 71.42 C ATOM 1068 NZ LYS A 70 13.273 -16.091 -13.739 1.00 44.31 N ATOM 0 H LYS A 70 15.417 -14.698 -9.753 1.00 74.45 H new ATOM 0 HA LYS A 70 15.750 -11.776 -10.096 1.00 1.53 H new ATOM 0 HB2 LYS A 70 13.860 -11.802 -11.492 1.00 34.22 H new ATOM 0 HB3 LYS A 70 14.747 -13.233 -11.978 1.00 34.22 H new ATOM 0 HG2 LYS A 70 13.182 -14.385 -10.130 1.00 63.44 H new ATOM 0 HG3 LYS A 70 12.152 -13.016 -10.496 1.00 63.44 H new ATOM 0 HD2 LYS A 70 11.386 -14.444 -12.122 1.00 33.11 H new ATOM 0 HD3 LYS A 70 12.708 -13.727 -13.023 1.00 33.11 H new ATOM 0 HE2 LYS A 70 14.084 -15.718 -11.818 1.00 71.42 H new ATOM 0 HE3 LYS A 70 12.496 -16.459 -11.803 1.00 71.42 H new ATOM 0 HZ1 LYS A 70 13.711 -17.032 -13.802 1.00 44.31 H new ATOM 0 HZ2 LYS A 70 12.341 -16.112 -14.201 1.00 44.31 H new ATOM 0 HZ3 LYS A 70 13.880 -15.394 -14.215 1.00 44.31 H new ATOM 1082 N LEU A 71 14.576 -13.116 -7.624 1.00 13.15 N ATOM 1083 CA LEU A 71 13.854 -12.977 -6.364 1.00 10.42 C ATOM 1084 C LEU A 71 14.790 -12.525 -5.248 1.00 61.30 C ATOM 1085 O LEU A 71 15.474 -13.340 -4.630 1.00 61.23 O ATOM 1086 CB LEU A 71 13.192 -14.302 -5.985 1.00 23.55 C ATOM 1087 CG LEU A 71 12.195 -14.869 -6.996 1.00 21.50 C ATOM 1088 CD1 LEU A 71 11.778 -16.278 -6.603 1.00 21.03 C ATOM 1089 CD2 LEU A 71 10.977 -13.962 -7.110 1.00 12.53 C ATOM 0 H LEU A 71 15.327 -13.806 -7.606 1.00 13.15 H new ATOM 0 HA LEU A 71 13.083 -12.218 -6.496 1.00 10.42 H new ATOM 0 HB2 LEU A 71 13.975 -15.043 -5.823 1.00 23.55 H new ATOM 0 HB3 LEU A 71 12.677 -14.169 -5.033 1.00 23.55 H new ATOM 0 HG LEU A 71 12.682 -14.915 -7.970 1.00 21.50 H new ATOM 0 HD11 LEU A 71 11.068 -16.665 -7.334 1.00 21.03 H new ATOM 0 HD12 LEU A 71 12.656 -16.923 -6.574 1.00 21.03 H new ATOM 0 HD13 LEU A 71 11.310 -16.258 -5.619 1.00 21.03 H new ATOM 0 HD21 LEU A 71 10.278 -14.381 -7.834 1.00 12.53 H new ATOM 0 HD22 LEU A 71 10.490 -13.884 -6.138 1.00 12.53 H new ATOM 0 HD23 LEU A 71 11.291 -12.971 -7.440 1.00 12.53 H new ATOM 1101 N GLU A 72 14.813 -11.220 -4.994 1.00 14.33 N ATOM 1102 CA GLU A 72 15.664 -10.660 -3.950 1.00 73.52 C ATOM 1103 C GLU A 72 14.851 -9.796 -2.992 1.00 43.43 C ATOM 1104 O GLU A 72 15.090 -9.792 -1.783 1.00 73.12 O ATOM 1105 CB GLU A 72 16.791 -9.833 -4.570 1.00 41.34 C ATOM 1106 CG GLU A 72 16.328 -8.914 -5.689 1.00 21.33 C ATOM 1107 CD GLU A 72 16.232 -9.623 -7.025 1.00 53.11 C ATOM 1108 OE1 GLU A 72 17.156 -10.396 -7.354 1.00 52.00 O ATOM 1109 OE2 GLU A 72 15.233 -9.406 -7.741 1.00 42.31 O ATOM 0 H GLU A 72 14.253 -10.531 -5.496 1.00 14.33 H new ATOM 0 HA GLU A 72 16.098 -11.486 -3.387 1.00 73.52 H new ATOM 0 HB2 GLU A 72 17.262 -9.234 -3.791 1.00 41.34 H new ATOM 0 HB3 GLU A 72 17.554 -10.508 -4.958 1.00 41.34 H new ATOM 0 HG2 GLU A 72 15.354 -8.498 -5.432 1.00 21.33 H new ATOM 0 HG3 GLU A 72 17.020 -8.076 -5.776 1.00 21.33 H new ATOM 1116 N THR A 73 13.888 -9.060 -3.538 1.00 72.44 N ATOM 1117 CA THR A 73 13.041 -8.189 -2.734 1.00 4.34 C ATOM 1118 C THR A 73 11.794 -8.924 -2.256 1.00 12.00 C ATOM 1119 O THR A 73 11.395 -9.933 -2.836 1.00 42.34 O ATOM 1120 CB THR A 73 12.614 -6.935 -3.521 1.00 65.13 C ATOM 1121 OG1 THR A 73 12.031 -7.317 -4.772 1.00 4.12 O ATOM 1122 CG2 THR A 73 13.805 -6.020 -3.768 1.00 4.33 C ATOM 0 H THR A 73 13.675 -9.050 -4.536 1.00 72.44 H new ATOM 0 HA THR A 73 13.633 -7.882 -1.871 1.00 4.34 H new ATOM 0 HB THR A 73 11.877 -6.393 -2.928 1.00 65.13 H new ATOM 0 HG1 THR A 73 11.761 -6.515 -5.265 1.00 4.12 H new ATOM 0 HG21 THR A 73 13.480 -5.141 -4.325 1.00 4.33 H new ATOM 0 HG22 THR A 73 14.228 -5.708 -2.813 1.00 4.33 H new ATOM 0 HG23 THR A 73 14.561 -6.554 -4.343 1.00 4.33 H new ATOM 1130 N VAL A 74 11.179 -8.409 -1.195 1.00 44.25 N ATOM 1131 CA VAL A 74 9.975 -9.017 -0.640 1.00 71.10 C ATOM 1132 C VAL A 74 8.863 -9.080 -1.681 1.00 60.12 C ATOM 1133 O VAL A 74 8.256 -10.131 -1.892 1.00 22.51 O ATOM 1134 CB VAL A 74 9.469 -8.237 0.589 1.00 25.12 C ATOM 1135 CG1 VAL A 74 8.192 -8.863 1.128 1.00 52.13 C ATOM 1136 CG2 VAL A 74 10.543 -8.185 1.665 1.00 34.04 C ATOM 0 H VAL A 74 11.495 -7.573 -0.703 1.00 44.25 H new ATOM 0 HA VAL A 74 10.242 -10.029 -0.335 1.00 71.10 H new ATOM 0 HB VAL A 74 9.244 -7.215 0.283 1.00 25.12 H new ATOM 0 HG11 VAL A 74 7.849 -8.300 1.996 1.00 52.13 H new ATOM 0 HG12 VAL A 74 7.423 -8.844 0.356 1.00 52.13 H new ATOM 0 HG13 VAL A 74 8.388 -9.895 1.420 1.00 52.13 H new ATOM 0 HG21 VAL A 74 10.169 -7.631 2.526 1.00 34.04 H new ATOM 0 HG22 VAL A 74 10.801 -9.199 1.971 1.00 34.04 H new ATOM 0 HG23 VAL A 74 11.429 -7.688 1.271 1.00 34.04 H new ATOM 1146 N ASP A 75 8.600 -7.951 -2.328 1.00 22.54 N ATOM 1147 CA ASP A 75 7.561 -7.878 -3.349 1.00 40.14 C ATOM 1148 C ASP A 75 7.807 -8.907 -4.448 1.00 70.00 C ATOM 1149 O ASP A 75 6.887 -9.607 -4.874 1.00 42.53 O ATOM 1150 CB ASP A 75 7.505 -6.473 -3.951 1.00 63.23 C ATOM 1151 CG ASP A 75 6.286 -6.269 -4.829 1.00 53.41 C ATOM 1152 OD1 ASP A 75 5.201 -5.979 -4.282 1.00 1.32 O ATOM 1153 OD2 ASP A 75 6.418 -6.396 -6.065 1.00 23.41 O ATOM 0 H ASP A 75 9.092 -7.073 -2.164 1.00 22.54 H new ATOM 0 HA ASP A 75 6.604 -8.100 -2.876 1.00 40.14 H new ATOM 0 HB2 ASP A 75 7.498 -5.736 -3.148 1.00 63.23 H new ATOM 0 HB3 ASP A 75 8.406 -6.296 -4.538 1.00 63.23 H new ATOM 1158 N ASP A 76 9.052 -8.992 -4.904 1.00 53.01 N ATOM 1159 CA ASP A 76 9.418 -9.935 -5.955 1.00 32.13 C ATOM 1160 C ASP A 76 9.196 -11.372 -5.495 1.00 4.15 C ATOM 1161 O ASP A 76 8.561 -12.165 -6.192 1.00 73.03 O ATOM 1162 CB ASP A 76 10.879 -9.735 -6.360 1.00 73.52 C ATOM 1163 CG ASP A 76 11.059 -8.581 -7.328 1.00 1.45 C ATOM 1164 OD1 ASP A 76 10.288 -7.604 -7.234 1.00 14.20 O ATOM 1165 OD2 ASP A 76 11.970 -8.657 -8.178 1.00 43.24 O ATOM 0 H ASP A 76 9.824 -8.420 -4.563 1.00 53.01 H new ATOM 0 HA ASP A 76 8.780 -9.747 -6.819 1.00 32.13 H new ATOM 0 HB2 ASP A 76 11.479 -9.554 -5.468 1.00 73.52 H new ATOM 0 HB3 ASP A 76 11.255 -10.651 -6.817 1.00 73.52 H new ATOM 1170 N ILE A 77 9.725 -11.701 -4.321 1.00 33.41 N ATOM 1171 CA ILE A 77 9.583 -13.043 -3.771 1.00 42.01 C ATOM 1172 C ILE A 77 8.115 -13.407 -3.577 1.00 14.23 C ATOM 1173 O ILE A 77 7.642 -14.419 -4.095 1.00 4.43 O ATOM 1174 CB ILE A 77 10.316 -13.178 -2.422 1.00 62.01 C ATOM 1175 CG1 ILE A 77 11.806 -12.870 -2.594 1.00 31.21 C ATOM 1176 CG2 ILE A 77 10.121 -14.575 -1.852 1.00 54.54 C ATOM 1177 CD1 ILE A 77 12.469 -12.374 -1.328 1.00 0.20 C ATOM 0 H ILE A 77 10.255 -11.057 -3.733 1.00 33.41 H new ATOM 0 HA ILE A 77 10.032 -13.728 -4.491 1.00 42.01 H new ATOM 0 HB ILE A 77 9.894 -12.458 -1.721 1.00 62.01 H new ATOM 0 HG12 ILE A 77 12.318 -13.770 -2.934 1.00 31.21 H new ATOM 0 HG13 ILE A 77 11.926 -12.120 -3.376 1.00 31.21 H new ATOM 0 HG21 ILE A 77 10.644 -14.656 -0.899 1.00 54.54 H new ATOM 0 HG22 ILE A 77 9.058 -14.760 -1.699 1.00 54.54 H new ATOM 0 HG23 ILE A 77 10.521 -15.311 -2.549 1.00 54.54 H new ATOM 0 HD11 ILE A 77 13.523 -12.176 -1.523 1.00 0.20 H new ATOM 0 HD12 ILE A 77 11.982 -11.456 -0.998 1.00 0.20 H new ATOM 0 HD13 ILE A 77 12.380 -13.132 -0.550 1.00 0.20 H new ATOM 1189 N CYS A 78 7.400 -12.575 -2.829 1.00 61.25 N ATOM 1190 CA CYS A 78 5.984 -12.808 -2.568 1.00 2.14 C ATOM 1191 C CYS A 78 5.197 -12.894 -3.871 1.00 72.24 C ATOM 1192 O CYS A 78 4.227 -13.645 -3.974 1.00 42.05 O ATOM 1193 CB CYS A 78 5.416 -11.693 -1.687 1.00 33.40 C ATOM 1194 SG CYS A 78 3.919 -12.155 -0.784 1.00 42.35 S ATOM 0 H CYS A 78 7.777 -11.734 -2.393 1.00 61.25 H new ATOM 0 HA CYS A 78 5.889 -13.759 -2.044 1.00 2.14 H new ATOM 0 HB2 CYS A 78 6.179 -11.386 -0.971 1.00 33.40 H new ATOM 0 HB3 CYS A 78 5.198 -10.827 -2.312 1.00 33.40 H new ATOM 0 HG CYS A 78 3.213 -12.975 -1.505 1.00 42.35 H new ATOM 1200 N ARG A 79 5.619 -12.118 -4.863 1.00 42.12 N ATOM 1201 CA ARG A 79 4.953 -12.104 -6.160 1.00 32.51 C ATOM 1202 C ARG A 79 5.145 -13.434 -6.884 1.00 62.11 C ATOM 1203 O ARG A 79 4.211 -13.964 -7.486 1.00 54.33 O ATOM 1204 CB ARG A 79 5.489 -10.959 -7.021 1.00 34.14 C ATOM 1205 CG ARG A 79 4.849 -10.881 -8.398 1.00 33.33 C ATOM 1206 CD ARG A 79 3.795 -9.787 -8.461 1.00 43.34 C ATOM 1207 NE ARG A 79 3.064 -9.803 -9.725 1.00 64.15 N ATOM 1208 CZ ARG A 79 2.099 -8.942 -10.027 1.00 42.12 C ATOM 1209 NH1 ARG A 79 1.750 -8.002 -9.161 1.00 41.13 N ATOM 1210 NH2 ARG A 79 1.482 -9.021 -11.199 1.00 72.00 N ATOM 0 H ARG A 79 6.420 -11.490 -4.794 1.00 42.12 H new ATOM 0 HA ARG A 79 3.887 -11.953 -5.991 1.00 32.51 H new ATOM 0 HB2 ARG A 79 5.325 -10.016 -6.500 1.00 34.14 H new ATOM 0 HB3 ARG A 79 6.567 -11.076 -7.137 1.00 34.14 H new ATOM 0 HG2 ARG A 79 5.617 -10.691 -9.147 1.00 33.33 H new ATOM 0 HG3 ARG A 79 4.394 -11.841 -8.644 1.00 33.33 H new ATOM 0 HD2 ARG A 79 3.094 -9.911 -7.635 1.00 43.34 H new ATOM 0 HD3 ARG A 79 4.272 -8.816 -8.331 1.00 43.34 H new ATOM 0 HE ARG A 79 3.308 -10.515 -10.414 1.00 64.15 H new ATOM 0 HH11 ARG A 79 2.223 -7.938 -8.259 1.00 41.13 H new ATOM 0 HH12 ARG A 79 1.008 -7.342 -9.396 1.00 41.13 H new ATOM 0 HH21 ARG A 79 1.749 -9.743 -11.868 1.00 72.00 H new ATOM 0 HH22 ARG A 79 0.741 -8.360 -11.431 1.00 72.00 H new ATOM 1224 N TYR A 80 6.361 -13.964 -6.822 1.00 65.34 N ATOM 1225 CA TYR A 80 6.676 -15.229 -7.475 1.00 50.23 C ATOM 1226 C TYR A 80 5.949 -16.387 -6.799 1.00 33.42 C ATOM 1227 O TYR A 80 5.482 -17.313 -7.463 1.00 3.40 O ATOM 1228 CB TYR A 80 8.185 -15.477 -7.451 1.00 55.12 C ATOM 1229 CG TYR A 80 8.580 -16.862 -7.912 1.00 74.13 C ATOM 1230 CD1 TYR A 80 8.614 -17.928 -7.022 1.00 52.21 C ATOM 1231 CD2 TYR A 80 8.917 -17.104 -9.238 1.00 64.12 C ATOM 1232 CE1 TYR A 80 8.974 -19.196 -7.438 1.00 73.04 C ATOM 1233 CE2 TYR A 80 9.277 -18.369 -9.663 1.00 4.04 C ATOM 1234 CZ TYR A 80 9.304 -19.410 -8.760 1.00 53.44 C ATOM 1235 OH TYR A 80 9.663 -20.671 -9.180 1.00 12.11 O ATOM 0 H TYR A 80 7.144 -13.538 -6.327 1.00 65.34 H new ATOM 0 HA TYR A 80 6.340 -15.168 -8.510 1.00 50.23 H new ATOM 0 HB2 TYR A 80 8.676 -14.739 -8.085 1.00 55.12 H new ATOM 0 HB3 TYR A 80 8.554 -15.322 -6.437 1.00 55.12 H new ATOM 0 HD1 TYR A 80 8.355 -17.763 -5.987 1.00 52.21 H new ATOM 0 HD2 TYR A 80 8.897 -16.291 -9.948 1.00 64.12 H new ATOM 0 HE1 TYR A 80 8.997 -20.014 -6.733 1.00 73.04 H new ATOM 0 HE2 TYR A 80 9.536 -18.541 -10.697 1.00 4.04 H new ATOM 0 HH TYR A 80 10.616 -20.681 -9.408 1.00 12.11 H new ATOM 1245 N ILE A 81 5.856 -16.327 -5.474 1.00 75.45 N ATOM 1246 CA ILE A 81 5.184 -17.368 -4.709 1.00 44.21 C ATOM 1247 C ILE A 81 3.670 -17.266 -4.850 1.00 45.44 C ATOM 1248 O ILE A 81 2.983 -18.269 -5.040 1.00 63.42 O ATOM 1249 CB ILE A 81 5.555 -17.297 -3.215 1.00 32.32 C ATOM 1250 CG1 ILE A 81 7.067 -17.445 -3.035 1.00 21.53 C ATOM 1251 CG2 ILE A 81 4.815 -18.372 -2.434 1.00 70.44 C ATOM 1252 CD1 ILE A 81 7.514 -17.359 -1.592 1.00 20.45 C ATOM 0 H ILE A 81 6.238 -15.568 -4.909 1.00 75.45 H new ATOM 0 HA ILE A 81 5.520 -18.322 -5.114 1.00 44.21 H new ATOM 0 HB ILE A 81 5.256 -16.323 -2.827 1.00 32.32 H new ATOM 0 HG12 ILE A 81 7.382 -18.403 -3.448 1.00 21.53 H new ATOM 0 HG13 ILE A 81 7.571 -16.668 -3.610 1.00 21.53 H new ATOM 0 HG21 ILE A 81 5.088 -18.309 -1.381 1.00 70.44 H new ATOM 0 HG22 ILE A 81 3.740 -18.224 -2.540 1.00 70.44 H new ATOM 0 HG23 ILE A 81 5.086 -19.354 -2.821 1.00 70.44 H new ATOM 0 HD11 ILE A 81 8.597 -17.472 -1.539 1.00 20.45 H new ATOM 0 HD12 ILE A 81 7.230 -16.391 -1.180 1.00 20.45 H new ATOM 0 HD13 ILE A 81 7.038 -18.152 -1.016 1.00 20.45 H new ATOM 1264 N ALA A 82 3.154 -16.043 -4.759 1.00 24.44 N ATOM 1265 CA ALA A 82 1.721 -15.808 -4.882 1.00 74.32 C ATOM 1266 C ALA A 82 1.210 -16.230 -6.254 1.00 1.20 C ATOM 1267 O ALA A 82 0.187 -16.904 -6.367 1.00 72.43 O ATOM 1268 CB ALA A 82 1.403 -14.341 -4.625 1.00 50.42 C ATOM 0 H ALA A 82 3.708 -15.201 -4.601 1.00 24.44 H new ATOM 0 HA ALA A 82 1.213 -16.416 -4.133 1.00 74.32 H new ATOM 0 HB1 ALA A 82 0.329 -14.179 -4.720 1.00 50.42 H new ATOM 0 HB2 ALA A 82 1.723 -14.070 -3.619 1.00 50.42 H new ATOM 0 HB3 ALA A 82 1.929 -13.722 -5.352 1.00 50.42 H new ATOM 1274 N SER A 83 1.929 -15.827 -7.298 1.00 34.12 N ATOM 1275 CA SER A 83 1.546 -16.160 -8.665 1.00 43.14 C ATOM 1276 C SER A 83 1.375 -17.667 -8.829 1.00 54.13 C ATOM 1277 O SER A 83 0.620 -18.128 -9.686 1.00 22.31 O ATOM 1278 CB SER A 83 2.595 -15.644 -9.651 1.00 1.43 C ATOM 1279 OG SER A 83 2.208 -14.397 -10.202 1.00 10.43 O ATOM 0 H SER A 83 2.780 -15.269 -7.223 1.00 34.12 H new ATOM 0 HA SER A 83 0.591 -15.678 -8.876 1.00 43.14 H new ATOM 0 HB2 SER A 83 3.554 -15.539 -9.144 1.00 1.43 H new ATOM 0 HB3 SER A 83 2.735 -16.371 -10.451 1.00 1.43 H new ATOM 0 HG SER A 83 2.896 -14.088 -10.828 1.00 10.43 H new ATOM 1285 N LYS A 84 2.081 -18.430 -8.001 1.00 42.25 N ATOM 1286 CA LYS A 84 2.007 -19.886 -8.051 1.00 0.24 C ATOM 1287 C LYS A 84 0.768 -20.394 -7.322 1.00 65.15 C ATOM 1288 O LYS A 84 -0.008 -21.178 -7.870 1.00 0.04 O ATOM 1289 CB LYS A 84 3.265 -20.502 -7.434 1.00 70.24 C ATOM 1290 CG LYS A 84 4.551 -20.070 -8.115 1.00 52.41 C ATOM 1291 CD LYS A 84 4.938 -21.026 -9.232 1.00 32.14 C ATOM 1292 CE LYS A 84 6.274 -20.647 -9.851 1.00 24.30 C ATOM 1293 NZ LYS A 84 6.438 -21.227 -11.213 1.00 51.04 N ATOM 0 H LYS A 84 2.711 -18.064 -7.287 1.00 42.25 H new ATOM 0 HA LYS A 84 1.938 -20.186 -9.097 1.00 0.24 H new ATOM 0 HB2 LYS A 84 3.313 -20.230 -6.380 1.00 70.24 H new ATOM 0 HB3 LYS A 84 3.187 -21.588 -7.479 1.00 70.24 H new ATOM 0 HG2 LYS A 84 4.430 -19.065 -8.520 1.00 52.41 H new ATOM 0 HG3 LYS A 84 5.355 -20.023 -7.380 1.00 52.41 H new ATOM 0 HD2 LYS A 84 4.992 -22.042 -8.841 1.00 32.14 H new ATOM 0 HD3 LYS A 84 4.165 -21.021 -10.001 1.00 32.14 H new ATOM 0 HE2 LYS A 84 6.354 -19.561 -9.906 1.00 24.30 H new ATOM 0 HE3 LYS A 84 7.083 -20.994 -9.209 1.00 24.30 H new ATOM 0 HZ1 LYS A 84 7.361 -20.946 -11.601 1.00 51.04 H new ATOM 0 HZ2 LYS A 84 6.387 -22.264 -11.157 1.00 51.04 H new ATOM 0 HZ3 LYS A 84 5.680 -20.876 -11.833 1.00 51.04 H new ATOM 1307 N SER A 85 0.587 -19.941 -6.086 1.00 10.43 N ATOM 1308 CA SER A 85 -0.557 -20.353 -5.281 1.00 43.33 C ATOM 1309 C SER A 85 -1.862 -20.143 -6.044 1.00 10.44 C ATOM 1310 O SER A 85 -2.825 -20.888 -5.865 1.00 32.24 O ATOM 1311 CB SER A 85 -0.591 -19.570 -3.966 1.00 24.21 C ATOM 1312 OG SER A 85 -1.406 -18.417 -4.080 1.00 62.21 O ATOM 0 H SER A 85 1.218 -19.289 -5.620 1.00 10.43 H new ATOM 0 HA SER A 85 -0.451 -21.415 -5.061 1.00 43.33 H new ATOM 0 HB2 SER A 85 -0.969 -20.209 -3.168 1.00 24.21 H new ATOM 0 HB3 SER A 85 0.421 -19.277 -3.687 1.00 24.21 H new ATOM 0 HG SER A 85 -1.039 -17.824 -4.768 1.00 62.21 H new ATOM 1318 N SER A 86 -1.884 -19.123 -6.896 1.00 23.42 N ATOM 1319 CA SER A 86 -3.069 -18.812 -7.685 1.00 64.32 C ATOM 1320 C SER A 86 -3.512 -20.022 -8.501 1.00 34.22 C ATOM 1321 O SER A 86 -4.702 -20.210 -8.758 1.00 3.04 O ATOM 1322 CB SER A 86 -2.794 -17.628 -8.615 1.00 61.24 C ATOM 1323 OG SER A 86 -3.676 -17.634 -9.723 1.00 32.21 O ATOM 0 H SER A 86 -1.094 -18.498 -7.057 1.00 23.42 H new ATOM 0 HA SER A 86 -3.872 -18.545 -6.998 1.00 64.32 H new ATOM 0 HB2 SER A 86 -2.905 -16.695 -8.063 1.00 61.24 H new ATOM 0 HB3 SER A 86 -1.763 -17.670 -8.967 1.00 61.24 H new ATOM 0 HG SER A 86 -3.481 -16.867 -10.301 1.00 32.21 H new ATOM 1329 N ASP A 87 -2.546 -20.839 -8.907 1.00 33.10 N ATOM 1330 CA ASP A 87 -2.835 -22.033 -9.693 1.00 34.24 C ATOM 1331 C ASP A 87 -2.322 -23.285 -8.990 1.00 52.42 C ATOM 1332 O ASP A 87 -1.452 -23.985 -9.506 1.00 53.21 O ATOM 1333 CB ASP A 87 -2.206 -21.918 -11.083 1.00 33.23 C ATOM 1334 CG ASP A 87 -0.760 -21.465 -11.027 1.00 3.24 C ATOM 1335 OD1 ASP A 87 0.121 -22.318 -10.786 1.00 24.05 O ATOM 1336 OD2 ASP A 87 -0.509 -20.258 -11.227 1.00 61.42 O ATOM 0 H ASP A 87 -1.556 -20.696 -8.705 1.00 33.10 H new ATOM 0 HA ASP A 87 -3.917 -22.116 -9.798 1.00 34.24 H new ATOM 0 HB2 ASP A 87 -2.262 -22.884 -11.585 1.00 33.23 H new ATOM 0 HB3 ASP A 87 -2.782 -21.213 -11.682 1.00 33.23 H new ATOM 1341 N ALA A 88 -2.867 -23.559 -7.809 1.00 51.22 N ATOM 1342 CA ALA A 88 -2.464 -24.727 -7.035 1.00 24.22 C ATOM 1343 C ALA A 88 -3.263 -25.960 -7.445 1.00 25.02 C ATOM 1344 O ALA A 88 -2.708 -26.925 -7.972 1.00 32.15 O ATOM 1345 CB ALA A 88 -2.631 -24.457 -5.547 1.00 70.24 C ATOM 0 H ALA A 88 -3.588 -22.988 -7.368 1.00 51.22 H new ATOM 0 HA ALA A 88 -1.412 -24.924 -7.241 1.00 24.22 H new ATOM 0 HB1 ALA A 88 -2.326 -25.337 -4.981 1.00 70.24 H new ATOM 0 HB2 ALA A 88 -2.011 -23.608 -5.259 1.00 70.24 H new ATOM 0 HB3 ALA A 88 -3.676 -24.232 -5.333 1.00 70.24 H new TER 1351 ALA A 88