USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 911 hydrogens (32 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 66 MET CE :methyl -142:sc= -0.175 (180deg=-0.457) USER MOD Set 1.2: A 85 MET CE :methyl -112:sc= -1.54 (180deg=-4.4!) USER MOD Set 1.3: A 90 MET CE :methyl -141:sc= -3.66 (180deg=-9.22!) USER MOD Single : A 1 MET CE :methyl -157:sc= -0.255 (180deg=-1.01) USER MOD Single : A 1 MET N :NH3+ 174:sc= 0 (180deg=-0.119) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 120:sc=-0.00698 USER MOD Single : A 11 LYS NZ :NH3+ 172:sc= -0.0035 (180deg=-0.0965) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.255 X(o=-0.25,f=0) USER MOD Single : A 25 GLN : amide:sc=-0.00331 K(o=-0.0033,f=-0.88) USER MOD Single : A 28 HIS : no HD1:sc= -6.57! C(o=-6.6!,f=-9!) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.497 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.873 USER MOD Single : A 36 GLN : amide:sc= -2.31 X(o=-2.3,f=-2.4) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -1.94! C(o=-1.9!,f=-5.9!) USER MOD Single : A 46 MET CE :methyl 150:sc= -1.9 (180deg=-5.96!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0.032) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 50:sc= 0.364 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 102:sc= 1.16 USER MOD Single : A 71 MET CE :methyl 159:sc= -1.68 (180deg=-3.69!) USER MOD Single : A 76 THR OG1 : rot -112:sc= 1.29 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 89 LYS NZ :NH3+ 145:sc= 0.082 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.676 X(o=-0.68,f=-0.43) USER MOD Single : A 108 SER OG : rot 180:sc= -0.103 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 200 PLM O1 : rot 114:sc= -1.66! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.654 -1.557 0.091 1.00 2.12 N ATOM 2 CA MET A 1 2.540 -1.017 1.115 1.00 55.40 C ATOM 3 C MET A 1 3.698 -1.972 1.390 1.00 43.44 C ATOM 4 O MET A 1 4.044 -2.227 2.543 1.00 21.44 O ATOM 5 CB MET A 1 1.763 -0.755 2.407 1.00 1.43 C ATOM 6 CG MET A 1 1.025 -1.977 2.931 1.00 14.10 C ATOM 7 SD MET A 1 0.496 -1.788 4.643 1.00 63.13 S ATOM 8 CE MET A 1 2.078 -1.691 5.477 1.00 63.32 C ATOM 0 H1 MET A 1 0.821 -0.942 -0.007 1.00 2.12 H new ATOM 0 H2 MET A 1 2.160 -1.603 -0.817 1.00 2.12 H new ATOM 0 H3 MET A 1 1.348 -2.512 0.365 1.00 2.12 H new ATOM 0 HA MET A 1 2.947 -0.075 0.747 1.00 55.40 H new ATOM 0 HB2 MET A 1 2.455 -0.403 3.172 1.00 1.43 H new ATOM 0 HB3 MET A 1 1.045 0.046 2.233 1.00 1.43 H new ATOM 0 HG2 MET A 1 0.153 -2.166 2.304 1.00 14.10 H new ATOM 0 HG3 MET A 1 1.672 -2.850 2.849 1.00 14.10 H new ATOM 0 HE1 MET A 1 1.957 -1.979 6.521 1.00 63.32 H new ATOM 0 HE2 MET A 1 2.786 -2.365 4.994 1.00 63.32 H new ATOM 0 HE3 MET A 1 2.455 -0.670 5.424 1.00 63.32 H new ATOM 18 N SER A 2 4.293 -2.495 0.322 1.00 54.23 N ATOM 19 CA SER A 2 5.410 -3.425 0.450 1.00 32.41 C ATOM 20 C SER A 2 6.688 -2.818 -0.121 1.00 10.23 C ATOM 21 O SER A 2 6.741 -2.440 -1.292 1.00 4.44 O ATOM 22 CB SER A 2 5.091 -4.738 -0.267 1.00 33.45 C ATOM 23 OG SER A 2 3.768 -5.162 0.011 1.00 15.20 O ATOM 0 H SER A 2 4.021 -2.291 -0.640 1.00 54.23 H new ATOM 0 HA SER A 2 5.565 -3.626 1.510 1.00 32.41 H new ATOM 0 HB2 SER A 2 5.217 -4.609 -1.342 1.00 33.45 H new ATOM 0 HB3 SER A 2 5.796 -5.508 0.046 1.00 33.45 H new ATOM 0 HG SER A 2 3.588 -6.002 -0.460 1.00 15.20 H new ATOM 29 N LEU A 3 7.718 -2.730 0.714 1.00 73.31 N ATOM 30 CA LEU A 3 8.998 -2.170 0.294 1.00 75.02 C ATOM 31 C LEU A 3 9.554 -2.925 -0.909 1.00 14.53 C ATOM 32 O LEU A 3 8.941 -3.874 -1.399 1.00 42.22 O ATOM 33 CB LEU A 3 10.000 -2.217 1.447 1.00 63.32 C ATOM 34 CG LEU A 3 10.064 -3.530 2.228 1.00 12.11 C ATOM 35 CD1 LEU A 3 11.508 -3.911 2.515 1.00 30.40 C ATOM 36 CD2 LEU A 3 9.273 -3.420 3.524 1.00 14.33 C ATOM 0 H LEU A 3 7.692 -3.039 1.686 1.00 73.31 H new ATOM 0 HA LEU A 3 8.835 -1.132 0.005 1.00 75.02 H new ATOM 0 HB2 LEU A 3 10.992 -2.006 1.048 1.00 63.32 H new ATOM 0 HB3 LEU A 3 9.759 -1.414 2.144 1.00 63.32 H new ATOM 0 HG LEU A 3 9.617 -4.315 1.618 1.00 12.11 H new ATOM 0 HD11 LEU A 3 11.533 -4.848 3.071 1.00 30.40 H new ATOM 0 HD12 LEU A 3 12.046 -4.033 1.575 1.00 30.40 H new ATOM 0 HD13 LEU A 3 11.981 -3.126 3.105 1.00 30.40 H new ATOM 0 HD21 LEU A 3 9.330 -4.364 4.066 1.00 14.33 H new ATOM 0 HD22 LEU A 3 9.691 -2.623 4.139 1.00 14.33 H new ATOM 0 HD23 LEU A 3 8.231 -3.195 3.296 1.00 14.33 H new ATOM 48 N LYS A 4 10.721 -2.499 -1.380 1.00 74.23 N ATOM 49 CA LYS A 4 11.363 -3.136 -2.524 1.00 53.11 C ATOM 50 C LYS A 4 11.286 -4.656 -2.414 1.00 23.13 C ATOM 51 O LYS A 4 11.153 -5.354 -3.419 1.00 33.14 O ATOM 52 CB LYS A 4 12.825 -2.695 -2.626 1.00 4.34 C ATOM 53 CG LYS A 4 13.659 -3.071 -1.413 1.00 14.11 C ATOM 54 CD LYS A 4 14.574 -1.933 -0.992 1.00 62.11 C ATOM 55 CE LYS A 4 15.061 -2.110 0.439 1.00 4.50 C ATOM 56 NZ LYS A 4 14.689 -0.953 1.299 1.00 25.42 N1+ ATOM 0 H LYS A 4 11.242 -1.715 -0.987 1.00 74.23 H new ATOM 0 HA LYS A 4 10.833 -2.827 -3.425 1.00 53.11 H new ATOM 0 HB2 LYS A 4 13.270 -3.142 -3.515 1.00 4.34 H new ATOM 0 HB3 LYS A 4 12.861 -1.614 -2.761 1.00 4.34 H new ATOM 0 HG2 LYS A 4 13.001 -3.335 -0.585 1.00 14.11 H new ATOM 0 HG3 LYS A 4 14.256 -3.954 -1.640 1.00 14.11 H new ATOM 0 HD2 LYS A 4 15.430 -1.884 -1.665 1.00 62.11 H new ATOM 0 HD3 LYS A 4 14.043 -0.985 -1.082 1.00 62.11 H new ATOM 0 HE2 LYS A 4 14.637 -3.024 0.856 1.00 4.50 H new ATOM 0 HE3 LYS A 4 16.144 -2.231 0.442 1.00 4.50 H new ATOM 0 HZ1 LYS A 4 15.039 -1.112 2.265 1.00 25.42 H new ATOM 0 HZ2 LYS A 4 15.114 -0.085 0.916 1.00 25.42 H new ATOM 0 HZ3 LYS A 4 13.654 -0.853 1.318 1.00 25.42 H new ATOM 70 N SER A 5 11.371 -5.161 -1.188 1.00 45.41 N ATOM 71 CA SER A 5 11.313 -6.598 -0.947 1.00 45.22 C ATOM 72 C SER A 5 10.199 -7.242 -1.768 1.00 54.53 C ATOM 73 O SER A 5 10.289 -8.409 -2.148 1.00 44.30 O ATOM 74 CB SER A 5 11.094 -6.879 0.541 1.00 53.55 C ATOM 75 OG SER A 5 9.715 -6.861 0.865 1.00 22.21 O ATOM 0 H SER A 5 11.480 -4.596 -0.346 1.00 45.41 H new ATOM 0 HA SER A 5 12.264 -7.032 -1.255 1.00 45.22 H new ATOM 0 HB2 SER A 5 11.519 -7.850 0.797 1.00 53.55 H new ATOM 0 HB3 SER A 5 11.621 -6.133 1.137 1.00 53.55 H new ATOM 0 HG SER A 5 9.452 -7.734 1.224 1.00 22.21 H new ATOM 81 N ASP A 6 9.150 -6.472 -2.035 1.00 52.44 N ATOM 82 CA ASP A 6 8.018 -6.966 -2.811 1.00 71.01 C ATOM 83 C ASP A 6 8.482 -7.539 -4.146 1.00 21.35 C ATOM 84 O ASP A 6 8.031 -8.604 -4.565 1.00 22.51 O ATOM 85 CB ASP A 6 7.007 -5.842 -3.049 1.00 22.02 C ATOM 86 CG ASP A 6 5.593 -6.362 -3.218 1.00 15.21 C ATOM 87 OD1 ASP A 6 5.375 -7.570 -2.990 1.00 45.13 O1- ATOM 88 OD2 ASP A 6 4.705 -5.561 -3.578 1.00 43.34 O ATOM 0 H ASP A 6 9.060 -5.504 -1.726 1.00 52.44 H new ATOM 0 HA ASP A 6 7.539 -7.762 -2.241 1.00 71.01 H new ATOM 0 HB2 ASP A 6 7.037 -5.146 -2.210 1.00 22.02 H new ATOM 0 HB3 ASP A 6 7.294 -5.282 -3.939 1.00 22.02 H new ATOM 93 N GLU A 7 9.386 -6.824 -4.810 1.00 34.23 N ATOM 94 CA GLU A 7 9.909 -7.262 -6.098 1.00 34.02 C ATOM 95 C GLU A 7 10.441 -8.690 -6.012 1.00 65.44 C ATOM 96 O GLU A 7 10.308 -9.471 -6.955 1.00 4.31 O ATOM 97 CB GLU A 7 11.020 -6.320 -6.569 1.00 60.23 C ATOM 98 CG GLU A 7 10.780 -5.740 -7.953 1.00 53.31 C ATOM 99 CD GLU A 7 11.679 -4.557 -8.253 1.00 52.50 C ATOM 100 OE1 GLU A 7 12.019 -3.815 -7.309 1.00 23.23 O1- ATOM 101 OE2 GLU A 7 12.041 -4.373 -9.435 1.00 42.03 O ATOM 0 H GLU A 7 9.770 -5.940 -4.477 1.00 34.23 H new ATOM 0 HA GLU A 7 9.092 -7.239 -6.820 1.00 34.02 H new ATOM 0 HB2 GLU A 7 11.120 -5.503 -5.854 1.00 60.23 H new ATOM 0 HB3 GLU A 7 11.967 -6.860 -6.570 1.00 60.23 H new ATOM 0 HG2 GLU A 7 10.944 -6.515 -8.701 1.00 53.31 H new ATOM 0 HG3 GLU A 7 9.738 -5.431 -8.038 1.00 53.31 H new ATOM 108 N VAL A 8 11.043 -9.023 -4.876 1.00 74.30 N ATOM 109 CA VAL A 8 11.595 -10.357 -4.665 1.00 35.34 C ATOM 110 C VAL A 8 10.536 -11.431 -4.888 1.00 41.31 C ATOM 111 O VAL A 8 10.680 -12.289 -5.758 1.00 60.20 O ATOM 112 CB VAL A 8 12.174 -10.508 -3.246 1.00 62.21 C ATOM 113 CG1 VAL A 8 12.386 -11.976 -2.909 1.00 15.23 C ATOM 114 CG2 VAL A 8 13.474 -9.729 -3.115 1.00 74.14 C ATOM 0 H VAL A 8 11.162 -8.388 -4.087 1.00 74.30 H new ATOM 0 HA VAL A 8 12.398 -10.486 -5.391 1.00 35.34 H new ATOM 0 HB VAL A 8 11.458 -10.097 -2.535 1.00 62.21 H new ATOM 0 HG11 VAL A 8 12.796 -12.063 -1.903 1.00 15.23 H new ATOM 0 HG12 VAL A 8 11.433 -12.502 -2.959 1.00 15.23 H new ATOM 0 HG13 VAL A 8 13.082 -12.416 -3.623 1.00 15.23 H new ATOM 0 HG21 VAL A 8 13.869 -9.847 -2.106 1.00 74.14 H new ATOM 0 HG22 VAL A 8 14.199 -10.108 -3.835 1.00 74.14 H new ATOM 0 HG23 VAL A 8 13.287 -8.673 -3.310 1.00 74.14 H new ATOM 124 N PHE A 9 9.471 -11.377 -4.094 1.00 5.40 N ATOM 125 CA PHE A 9 8.387 -12.346 -4.203 1.00 4.42 C ATOM 126 C PHE A 9 7.923 -12.483 -5.651 1.00 14.12 C ATOM 127 O PHE A 9 7.723 -13.591 -6.147 1.00 72.03 O ATOM 128 CB PHE A 9 7.211 -11.928 -3.317 1.00 14.30 C ATOM 129 CG PHE A 9 7.544 -11.902 -1.853 1.00 1.13 C ATOM 130 CD1 PHE A 9 7.897 -13.066 -1.188 1.00 71.40 C ATOM 131 CD2 PHE A 9 7.503 -10.714 -1.141 1.00 64.03 C ATOM 132 CE1 PHE A 9 8.203 -13.044 0.159 1.00 70.23 C ATOM 133 CE2 PHE A 9 7.810 -10.686 0.207 1.00 45.45 C ATOM 134 CZ PHE A 9 8.161 -11.853 0.858 1.00 3.11 C ATOM 0 H PHE A 9 9.336 -10.673 -3.369 1.00 5.40 H new ATOM 0 HA PHE A 9 8.762 -13.313 -3.867 1.00 4.42 H new ATOM 0 HB2 PHE A 9 6.871 -10.938 -3.622 1.00 14.30 H new ATOM 0 HB3 PHE A 9 6.381 -12.615 -3.481 1.00 14.30 H new ATOM 0 HD1 PHE A 9 7.933 -14.000 -1.729 1.00 71.40 H new ATOM 0 HD2 PHE A 9 7.228 -9.799 -1.645 1.00 64.03 H new ATOM 0 HE1 PHE A 9 8.475 -13.958 0.666 1.00 70.23 H new ATOM 0 HE2 PHE A 9 7.775 -9.753 0.750 1.00 45.45 H new ATOM 0 HZ PHE A 9 8.402 -11.834 1.911 1.00 3.11 H new ATOM 144 N ALA A 10 7.754 -11.348 -6.321 1.00 54.15 N ATOM 145 CA ALA A 10 7.316 -11.340 -7.712 1.00 71.40 C ATOM 146 C ALA A 10 8.338 -12.025 -8.612 1.00 23.42 C ATOM 147 O ALA A 10 7.982 -12.832 -9.472 1.00 32.34 O ATOM 148 CB ALA A 10 7.069 -9.914 -8.180 1.00 11.12 C ATOM 0 H ALA A 10 7.914 -10.422 -5.924 1.00 54.15 H new ATOM 0 HA ALA A 10 6.382 -11.898 -7.776 1.00 71.40 H new ATOM 0 HB1 ALA A 10 6.743 -9.924 -9.220 1.00 11.12 H new ATOM 0 HB2 ALA A 10 6.297 -9.457 -7.562 1.00 11.12 H new ATOM 0 HB3 ALA A 10 7.991 -9.338 -8.094 1.00 11.12 H new ATOM 154 N LYS A 11 9.610 -11.697 -8.412 1.00 53.04 N ATOM 155 CA LYS A 11 10.685 -12.281 -9.207 1.00 71.11 C ATOM 156 C LYS A 11 10.675 -13.802 -9.102 1.00 34.23 C ATOM 157 O LYS A 11 10.691 -14.503 -10.115 1.00 35.32 O ATOM 158 CB LYS A 11 12.040 -11.737 -8.746 1.00 75.32 C ATOM 159 CG LYS A 11 12.585 -10.632 -9.633 1.00 51.04 C ATOM 160 CD LYS A 11 12.226 -9.257 -9.095 1.00 31.12 C ATOM 161 CE LYS A 11 12.830 -8.150 -9.947 1.00 2.51 C ATOM 162 NZ LYS A 11 13.877 -7.392 -9.208 1.00 32.05 N1+ ATOM 0 H LYS A 11 9.922 -11.030 -7.706 1.00 53.04 H new ATOM 0 HA LYS A 11 10.524 -12.005 -10.249 1.00 71.11 H new ATOM 0 HB2 LYS A 11 11.943 -11.360 -7.728 1.00 75.32 H new ATOM 0 HB3 LYS A 11 12.759 -12.555 -8.716 1.00 75.32 H new ATOM 0 HG2 LYS A 11 13.669 -10.724 -9.706 1.00 51.04 H new ATOM 0 HG3 LYS A 11 12.187 -10.744 -10.642 1.00 51.04 H new ATOM 0 HD2 LYS A 11 11.142 -9.147 -9.069 1.00 31.12 H new ATOM 0 HD3 LYS A 11 12.581 -9.163 -8.069 1.00 31.12 H new ATOM 0 HE2 LYS A 11 13.263 -8.581 -10.850 1.00 2.51 H new ATOM 0 HE3 LYS A 11 12.043 -7.466 -10.266 1.00 2.51 H new ATOM 0 HZ1 LYS A 11 14.358 -6.739 -9.859 1.00 32.05 H new ATOM 0 HZ2 LYS A 11 13.435 -6.850 -8.438 1.00 32.05 H new ATOM 0 HZ3 LYS A 11 14.571 -8.057 -8.809 1.00 32.05 H new ATOM 176 N ILE A 12 10.645 -14.307 -7.873 1.00 21.10 N ATOM 177 CA ILE A 12 10.628 -15.745 -7.638 1.00 64.54 C ATOM 178 C ILE A 12 9.420 -16.398 -8.302 1.00 34.03 C ATOM 179 O ILE A 12 9.503 -17.521 -8.796 1.00 74.53 O ATOM 180 CB ILE A 12 10.611 -16.070 -6.133 1.00 74.10 C ATOM 181 CG1 ILE A 12 11.941 -15.674 -5.488 1.00 64.04 C ATOM 182 CG2 ILE A 12 10.329 -17.548 -5.913 1.00 5.33 C ATOM 183 CD1 ILE A 12 11.968 -15.873 -3.988 1.00 2.33 C ATOM 0 H ILE A 12 10.632 -13.741 -7.025 1.00 21.10 H new ATOM 0 HA ILE A 12 11.541 -16.146 -8.077 1.00 64.54 H new ATOM 0 HB ILE A 12 9.815 -15.494 -5.662 1.00 74.10 H new ATOM 0 HG12 ILE A 12 12.743 -16.259 -5.939 1.00 64.04 H new ATOM 0 HG13 ILE A 12 12.146 -14.627 -5.711 1.00 64.04 H new ATOM 0 HG21 ILE A 12 10.320 -17.762 -4.844 1.00 5.33 H new ATOM 0 HG22 ILE A 12 9.359 -17.801 -6.342 1.00 5.33 H new ATOM 0 HG23 ILE A 12 11.105 -18.142 -6.395 1.00 5.33 H new ATOM 0 HD11 ILE A 12 12.941 -15.572 -3.598 1.00 2.33 H new ATOM 0 HD12 ILE A 12 11.189 -15.267 -3.526 1.00 2.33 H new ATOM 0 HD13 ILE A 12 11.794 -16.924 -3.757 1.00 2.33 H new ATOM 195 N ALA A 13 8.300 -15.683 -8.311 1.00 52.24 N ATOM 196 CA ALA A 13 7.076 -16.191 -8.916 1.00 63.33 C ATOM 197 C ALA A 13 7.189 -16.226 -10.437 1.00 65.53 C ATOM 198 O ALA A 13 6.989 -17.268 -11.062 1.00 52.01 O ATOM 199 CB ALA A 13 5.886 -15.341 -8.494 1.00 65.33 C ATOM 0 H ALA A 13 8.215 -14.751 -7.906 1.00 52.24 H new ATOM 0 HA ALA A 13 6.923 -17.211 -8.565 1.00 63.33 H new ATOM 0 HB1 ALA A 13 4.978 -15.732 -8.954 1.00 65.33 H new ATOM 0 HB2 ALA A 13 5.785 -15.370 -7.409 1.00 65.33 H new ATOM 0 HB3 ALA A 13 6.041 -14.312 -8.817 1.00 65.33 H new ATOM 205 N LYS A 14 7.511 -15.080 -11.028 1.00 61.31 N ATOM 206 CA LYS A 14 7.653 -14.979 -12.477 1.00 24.13 C ATOM 207 C LYS A 14 8.655 -16.003 -12.998 1.00 74.23 C ATOM 208 O LYS A 14 8.541 -16.478 -14.128 1.00 64.00 O ATOM 209 CB LYS A 14 8.098 -13.568 -12.868 1.00 55.21 C ATOM 210 CG LYS A 14 7.695 -13.173 -14.278 1.00 43.13 C ATOM 211 CD LYS A 14 7.890 -11.685 -14.518 1.00 15.10 C ATOM 212 CE LYS A 14 7.013 -11.184 -15.654 1.00 0.23 C ATOM 213 NZ LYS A 14 7.076 -9.702 -15.791 1.00 52.31 N1+ ATOM 0 H LYS A 14 7.679 -14.208 -10.526 1.00 61.31 H new ATOM 0 HA LYS A 14 6.683 -15.186 -12.928 1.00 24.13 H new ATOM 0 HB2 LYS A 14 7.672 -12.853 -12.164 1.00 55.21 H new ATOM 0 HB3 LYS A 14 9.182 -13.499 -12.776 1.00 55.21 H new ATOM 0 HG2 LYS A 14 8.286 -13.739 -14.998 1.00 43.13 H new ATOM 0 HG3 LYS A 14 6.651 -13.436 -14.446 1.00 43.13 H new ATOM 0 HD2 LYS A 14 7.656 -11.135 -13.607 1.00 15.10 H new ATOM 0 HD3 LYS A 14 8.936 -11.487 -14.750 1.00 15.10 H new ATOM 0 HE2 LYS A 14 7.328 -11.649 -16.588 1.00 0.23 H new ATOM 0 HE3 LYS A 14 5.981 -11.489 -15.478 1.00 0.23 H new ATOM 0 HZ1 LYS A 14 6.465 -9.400 -16.576 1.00 52.31 H new ATOM 0 HZ2 LYS A 14 6.751 -9.258 -14.909 1.00 52.31 H new ATOM 0 HZ3 LYS A 14 8.056 -9.413 -15.984 1.00 52.31 H new ATOM 227 N ARG A 15 9.636 -16.340 -12.167 1.00 24.20 N ATOM 228 CA ARG A 15 10.658 -17.309 -12.545 1.00 2.23 C ATOM 229 C ARG A 15 10.123 -18.734 -12.439 1.00 74.55 C ATOM 230 O ARG A 15 10.490 -19.606 -13.228 1.00 13.42 O ATOM 231 CB ARG A 15 11.895 -17.150 -11.658 1.00 52.33 C ATOM 232 CG ARG A 15 13.128 -16.680 -12.411 1.00 60.13 C ATOM 233 CD ARG A 15 12.897 -15.330 -13.071 1.00 64.22 C ATOM 234 NE ARG A 15 12.416 -15.467 -14.443 1.00 31.41 N ATOM 235 CZ ARG A 15 13.153 -15.951 -15.436 1.00 3.45 C ATOM 236 NH1 ARG A 15 14.399 -16.343 -15.210 1.00 71.10 N1+ ATOM 237 NH2 ARG A 15 12.645 -16.045 -16.658 1.00 54.20 N ATOM 0 H ARG A 15 9.745 -15.957 -11.228 1.00 24.20 H new ATOM 0 HA ARG A 15 10.936 -17.120 -13.582 1.00 2.23 H new ATOM 0 HB2 ARG A 15 11.672 -16.439 -10.863 1.00 52.33 H new ATOM 0 HB3 ARG A 15 12.114 -18.105 -11.180 1.00 52.33 H new ATOM 0 HG2 ARG A 15 13.971 -16.611 -11.723 1.00 60.13 H new ATOM 0 HG3 ARG A 15 13.395 -17.416 -13.169 1.00 60.13 H new ATOM 0 HD2 ARG A 15 12.173 -14.761 -12.488 1.00 64.22 H new ATOM 0 HD3 ARG A 15 13.827 -14.761 -13.068 1.00 64.22 H new ATOM 0 HE ARG A 15 11.461 -15.175 -14.650 1.00 31.41 H new ATOM 0 HH11 ARG A 15 14.793 -16.273 -14.272 1.00 71.10 H new ATOM 0 HH12 ARG A 15 14.963 -16.714 -15.974 1.00 71.10 H new ATOM 0 HH21 ARG A 15 11.687 -15.745 -16.836 1.00 54.20 H new ATOM 0 HH22 ARG A 15 13.213 -16.417 -17.419 1.00 54.20 H new ATOM 251 N LEU A 16 9.254 -18.963 -11.461 1.00 62.42 N ATOM 252 CA LEU A 16 8.668 -20.282 -11.250 1.00 42.54 C ATOM 253 C LEU A 16 7.540 -20.541 -12.244 1.00 3.14 C ATOM 254 O LEU A 16 7.289 -21.682 -12.628 1.00 45.05 O ATOM 255 CB LEU A 16 8.143 -20.406 -9.819 1.00 71.15 C ATOM 256 CG LEU A 16 6.655 -20.113 -9.624 1.00 53.24 C ATOM 257 CD1 LEU A 16 5.823 -21.353 -9.912 1.00 44.00 C ATOM 258 CD2 LEU A 16 6.392 -19.609 -8.212 1.00 22.33 C ATOM 0 H LEU A 16 8.939 -18.252 -10.801 1.00 62.42 H new ATOM 0 HA LEU A 16 9.446 -21.029 -11.409 1.00 42.54 H new ATOM 0 HB2 LEU A 16 8.343 -21.418 -9.466 1.00 71.15 H new ATOM 0 HB3 LEU A 16 8.713 -19.728 -9.184 1.00 71.15 H new ATOM 0 HG LEU A 16 6.363 -19.334 -10.328 1.00 53.24 H new ATOM 0 HD11 LEU A 16 4.767 -21.124 -9.768 1.00 44.00 H new ATOM 0 HD12 LEU A 16 5.988 -21.671 -10.941 1.00 44.00 H new ATOM 0 HD13 LEU A 16 6.117 -22.154 -9.233 1.00 44.00 H new ATOM 0 HD21 LEU A 16 5.328 -19.405 -8.091 1.00 22.33 H new ATOM 0 HD22 LEU A 16 6.701 -20.367 -7.492 1.00 22.33 H new ATOM 0 HD23 LEU A 16 6.958 -18.694 -8.041 1.00 22.33 H new ATOM 270 N GLU A 17 6.864 -19.472 -12.655 1.00 24.21 N ATOM 271 CA GLU A 17 5.763 -19.585 -13.605 1.00 73.03 C ATOM 272 C GLU A 17 6.261 -20.087 -14.957 1.00 53.54 C ATOM 273 O GLU A 17 5.498 -20.653 -15.740 1.00 53.11 O ATOM 274 CB GLU A 17 5.067 -18.232 -13.775 1.00 62.44 C ATOM 275 CG GLU A 17 4.275 -17.798 -12.553 1.00 32.22 C ATOM 276 CD GLU A 17 3.303 -16.674 -12.858 1.00 55.30 C ATOM 277 OE1 GLU A 17 3.741 -15.647 -13.415 1.00 64.43 O ATOM 278 OE2 GLU A 17 2.105 -16.823 -12.537 1.00 71.21 O1- ATOM 0 H GLU A 17 7.059 -18.520 -12.346 1.00 24.21 H new ATOM 0 HA GLU A 17 5.048 -20.307 -13.210 1.00 73.03 H new ATOM 0 HB2 GLU A 17 5.816 -17.473 -14.000 1.00 62.44 H new ATOM 0 HB3 GLU A 17 4.397 -18.283 -14.633 1.00 62.44 H new ATOM 0 HG2 GLU A 17 3.725 -18.652 -12.159 1.00 32.22 H new ATOM 0 HG3 GLU A 17 4.965 -17.476 -11.773 1.00 32.22 H new ATOM 285 N SER A 18 7.545 -19.874 -15.225 1.00 60.23 N ATOM 286 CA SER A 18 8.144 -20.300 -16.484 1.00 50.12 C ATOM 287 C SER A 18 8.348 -21.812 -16.504 1.00 44.52 C ATOM 288 O SER A 18 8.458 -22.420 -17.570 1.00 12.43 O ATOM 289 CB SER A 18 9.482 -19.591 -16.703 1.00 53.43 C ATOM 290 OG SER A 18 9.515 -18.943 -17.963 1.00 62.03 O ATOM 0 H SER A 18 8.191 -19.409 -14.587 1.00 60.23 H new ATOM 0 HA SER A 18 7.462 -20.031 -17.291 1.00 50.12 H new ATOM 0 HB2 SER A 18 9.644 -18.861 -15.910 1.00 53.43 H new ATOM 0 HB3 SER A 18 10.295 -20.314 -16.641 1.00 53.43 H new ATOM 0 HG SER A 18 10.379 -18.496 -18.078 1.00 62.03 H new ATOM 296 N ILE A 19 8.398 -22.412 -15.320 1.00 61.30 N ATOM 297 CA ILE A 19 8.588 -23.852 -15.200 1.00 41.24 C ATOM 298 C ILE A 19 7.568 -24.613 -16.041 1.00 31.14 C ATOM 299 O ILE A 19 6.397 -24.714 -15.673 1.00 72.51 O ATOM 300 CB ILE A 19 8.477 -24.315 -13.736 1.00 11.12 C ATOM 301 CG1 ILE A 19 9.479 -23.559 -12.861 1.00 33.03 C ATOM 302 CG2 ILE A 19 8.706 -25.816 -13.636 1.00 52.32 C ATOM 303 CD1 ILE A 19 9.147 -23.600 -11.387 1.00 70.51 C ATOM 0 H ILE A 19 8.309 -21.923 -14.429 1.00 61.30 H new ATOM 0 HA ILE A 19 9.592 -24.069 -15.566 1.00 41.24 H new ATOM 0 HB ILE A 19 7.472 -24.095 -13.377 1.00 11.12 H new ATOM 0 HG12 ILE A 19 10.472 -23.981 -13.013 1.00 33.03 H new ATOM 0 HG13 ILE A 19 9.521 -22.520 -13.187 1.00 33.03 H new ATOM 0 HG21 ILE A 19 8.624 -26.128 -12.595 1.00 52.32 H new ATOM 0 HG22 ILE A 19 7.957 -26.339 -14.231 1.00 52.32 H new ATOM 0 HG23 ILE A 19 9.701 -26.058 -14.010 1.00 52.32 H new ATOM 0 HD11 ILE A 19 9.900 -23.044 -10.829 1.00 70.51 H new ATOM 0 HD12 ILE A 19 8.168 -23.151 -11.222 1.00 70.51 H new ATOM 0 HD13 ILE A 19 9.134 -24.635 -11.046 1.00 70.51 H new ATOM 315 N ASP A 20 8.020 -25.147 -17.170 1.00 31.11 N ATOM 316 CA ASP A 20 7.147 -25.901 -18.062 1.00 60.31 C ATOM 317 C ASP A 20 6.963 -27.331 -17.561 1.00 52.22 C ATOM 318 O ASP A 20 7.883 -27.950 -17.025 1.00 2.52 O ATOM 319 CB ASP A 20 7.720 -25.914 -19.480 1.00 72.22 C ATOM 320 CG ASP A 20 6.846 -25.163 -20.465 1.00 72.21 C ATOM 321 OD1 ASP A 20 6.493 -23.999 -20.176 1.00 1.44 O ATOM 322 OD2 ASP A 20 6.516 -25.737 -21.522 1.00 54.13 O1- ATOM 0 H ASP A 20 8.986 -25.072 -17.489 1.00 31.11 H new ATOM 0 HA ASP A 20 6.173 -25.412 -18.077 1.00 60.31 H new ATOM 0 HB2 ASP A 20 8.716 -25.470 -19.470 1.00 72.22 H new ATOM 0 HB3 ASP A 20 7.834 -26.946 -19.813 1.00 72.22 H new ATOM 327 N PRO A 21 5.748 -27.869 -17.738 1.00 3.01 N ATOM 328 CA PRO A 21 5.415 -29.230 -17.311 1.00 51.32 C ATOM 329 C PRO A 21 6.113 -30.291 -18.156 1.00 31.01 C ATOM 330 O PRO A 21 6.173 -31.460 -17.777 1.00 73.52 O ATOM 331 CB PRO A 21 3.899 -29.303 -17.509 1.00 40.32 C ATOM 332 CG PRO A 21 3.606 -28.295 -18.565 1.00 41.15 C ATOM 333 CD PRO A 21 4.605 -27.188 -18.369 1.00 41.12 C ATOM 0 HA PRO A 21 5.736 -29.425 -16.288 1.00 51.32 H new ATOM 0 HB2 PRO A 21 3.588 -30.301 -17.817 1.00 40.32 H new ATOM 0 HB3 PRO A 21 3.368 -29.074 -16.585 1.00 40.32 H new ATOM 0 HG2 PRO A 21 3.699 -28.733 -19.559 1.00 41.15 H new ATOM 0 HG3 PRO A 21 2.586 -27.921 -18.475 1.00 41.15 H new ATOM 0 HD2 PRO A 21 4.885 -26.727 -19.316 1.00 41.12 H new ATOM 0 HD3 PRO A 21 4.208 -26.396 -17.734 1.00 41.12 H new ATOM 341 N ALA A 22 6.641 -29.873 -19.301 1.00 74.25 N ATOM 342 CA ALA A 22 7.339 -30.787 -20.199 1.00 71.25 C ATOM 343 C ALA A 22 8.721 -31.139 -19.659 1.00 24.44 C ATOM 344 O ALA A 22 9.425 -31.974 -20.225 1.00 64.13 O ATOM 345 CB ALA A 22 7.452 -30.178 -21.588 1.00 74.40 C ATOM 0 H ALA A 22 6.599 -28.908 -19.629 1.00 74.25 H new ATOM 0 HA ALA A 22 6.758 -31.707 -20.264 1.00 71.25 H new ATOM 0 HB1 ALA A 22 7.975 -30.871 -22.248 1.00 74.40 H new ATOM 0 HB2 ALA A 22 6.455 -29.984 -21.983 1.00 74.40 H new ATOM 0 HB3 ALA A 22 8.008 -29.242 -21.531 1.00 74.40 H new ATOM 351 N ASN A 23 9.103 -30.495 -18.560 1.00 31.42 N ATOM 352 CA ASN A 23 10.402 -30.739 -17.944 1.00 33.21 C ATOM 353 C ASN A 23 10.492 -30.065 -16.578 1.00 71.22 C ATOM 354 O ASN A 23 10.652 -28.849 -16.484 1.00 21.44 O ATOM 355 CB ASN A 23 11.524 -30.230 -18.851 1.00 24.34 C ATOM 356 CG ASN A 23 12.787 -31.061 -18.732 1.00 24.24 C ATOM 357 OD1 ASN A 23 13.225 -31.686 -19.698 1.00 64.52 O ATOM 358 ND2 ASN A 23 13.377 -31.073 -17.543 1.00 44.13 N ATOM 0 H ASN A 23 8.531 -29.801 -18.078 1.00 31.42 H new ATOM 0 HA ASN A 23 10.514 -31.814 -17.807 1.00 33.21 H new ATOM 0 HB2 ASN A 23 11.183 -30.239 -19.886 1.00 24.34 H new ATOM 0 HB3 ASN A 23 11.749 -29.194 -18.599 1.00 24.34 H new ATOM 0 HD21 ASN A 23 14.229 -31.616 -17.402 1.00 44.13 H new ATOM 0 HD22 ASN A 23 12.978 -30.540 -16.770 1.00 44.13 H new ATOM 365 N ARG A 24 10.388 -30.866 -15.522 1.00 31.34 N ATOM 366 CA ARG A 24 10.457 -30.347 -14.161 1.00 3.31 C ATOM 367 C ARG A 24 11.735 -30.811 -13.467 1.00 41.40 C ATOM 368 O ARG A 24 12.629 -31.369 -14.102 1.00 60.52 O ATOM 369 CB ARG A 24 9.235 -30.799 -13.358 1.00 43.24 C ATOM 370 CG ARG A 24 7.911 -30.479 -14.032 1.00 73.04 C ATOM 371 CD ARG A 24 7.488 -29.042 -13.774 1.00 15.52 C ATOM 372 NE ARG A 24 7.376 -28.751 -12.348 1.00 53.32 N ATOM 373 CZ ARG A 24 6.242 -28.861 -11.663 1.00 20.53 C ATOM 374 NH1 ARG A 24 5.131 -29.252 -12.271 1.00 42.41 N1+ ATOM 375 NH2 ARG A 24 6.220 -28.580 -10.366 1.00 32.13 N ATOM 0 H ARG A 24 10.256 -31.876 -15.583 1.00 31.34 H new ATOM 0 HA ARG A 24 10.467 -29.258 -14.213 1.00 3.31 H new ATOM 0 HB2 ARG A 24 9.298 -31.874 -13.192 1.00 43.24 H new ATOM 0 HB3 ARG A 24 9.258 -30.323 -12.378 1.00 43.24 H new ATOM 0 HG2 ARG A 24 7.998 -30.647 -15.106 1.00 73.04 H new ATOM 0 HG3 ARG A 24 7.141 -31.158 -13.665 1.00 73.04 H new ATOM 0 HD2 ARG A 24 8.212 -28.364 -14.226 1.00 15.52 H new ATOM 0 HD3 ARG A 24 6.530 -28.854 -14.258 1.00 15.52 H new ATOM 0 HE ARG A 24 8.213 -28.447 -11.850 1.00 53.32 H new ATOM 0 HH11 ARG A 24 5.144 -29.470 -13.267 1.00 42.41 H new ATOM 0 HH12 ARG A 24 4.263 -29.335 -11.742 1.00 42.41 H new ATOM 0 HH21 ARG A 24 7.073 -28.280 -9.895 1.00 32.13 H new ATOM 0 HH22 ARG A 24 5.350 -28.664 -9.841 1.00 32.13 H new ATOM 389 N GLN A 25 11.812 -30.573 -12.162 1.00 23.44 N ATOM 390 CA GLN A 25 12.981 -30.964 -11.382 1.00 3.41 C ATOM 391 C GLN A 25 12.567 -31.711 -10.119 1.00 43.32 C ATOM 392 O GLN A 25 12.519 -32.941 -10.100 1.00 3.03 O ATOM 393 CB GLN A 25 13.809 -29.732 -11.013 1.00 73.40 C ATOM 394 CG GLN A 25 14.781 -29.304 -12.102 1.00 65.05 C ATOM 395 CD GLN A 25 16.103 -30.041 -12.026 1.00 54.13 C ATOM 396 OE1 GLN A 25 16.203 -31.100 -11.405 1.00 72.12 O ATOM 397 NE2 GLN A 25 17.129 -29.485 -12.661 1.00 12.31 N ATOM 0 H GLN A 25 11.080 -30.112 -11.622 1.00 23.44 H new ATOM 0 HA GLN A 25 13.589 -31.631 -11.993 1.00 3.41 H new ATOM 0 HB2 GLN A 25 13.135 -28.904 -10.793 1.00 73.40 H new ATOM 0 HB3 GLN A 25 14.367 -29.940 -10.100 1.00 73.40 H new ATOM 0 HG2 GLN A 25 14.328 -29.479 -13.078 1.00 65.05 H new ATOM 0 HG3 GLN A 25 14.962 -28.232 -12.022 1.00 65.05 H new ATOM 0 HE21 GLN A 25 17.002 -28.607 -13.164 1.00 12.31 H new ATOM 0 HE22 GLN A 25 18.043 -29.937 -12.646 1.00 12.31 H new ATOM 406 N VAL A 26 12.270 -30.959 -9.064 1.00 53.35 N ATOM 407 CA VAL A 26 11.859 -31.550 -7.795 1.00 53.24 C ATOM 408 C VAL A 26 10.533 -30.968 -7.322 1.00 23.30 C ATOM 409 O VAL A 26 10.433 -29.774 -7.042 1.00 23.40 O ATOM 410 CB VAL A 26 12.924 -31.331 -6.704 1.00 62.44 C ATOM 411 CG1 VAL A 26 12.725 -32.313 -5.559 1.00 24.22 C ATOM 412 CG2 VAL A 26 14.321 -31.459 -7.290 1.00 61.33 C ATOM 0 H VAL A 26 12.306 -29.940 -9.062 1.00 53.35 H new ATOM 0 HA VAL A 26 11.741 -32.620 -7.967 1.00 53.24 H new ATOM 0 HB VAL A 26 12.812 -30.321 -6.309 1.00 62.44 H new ATOM 0 HG11 VAL A 26 13.486 -32.143 -4.798 1.00 24.22 H new ATOM 0 HG12 VAL A 26 11.737 -32.168 -5.123 1.00 24.22 H new ATOM 0 HG13 VAL A 26 12.809 -33.333 -5.935 1.00 24.22 H new ATOM 0 HG21 VAL A 26 15.061 -31.301 -6.505 1.00 61.33 H new ATOM 0 HG22 VAL A 26 14.448 -32.455 -7.713 1.00 61.33 H new ATOM 0 HG23 VAL A 26 14.457 -30.712 -8.072 1.00 61.33 H new ATOM 422 N GLU A 27 9.517 -31.820 -7.233 1.00 51.22 N ATOM 423 CA GLU A 27 8.195 -31.389 -6.793 1.00 53.14 C ATOM 424 C GLU A 27 8.032 -31.585 -5.288 1.00 20.43 C ATOM 425 O GLU A 27 8.244 -32.680 -4.766 1.00 21.25 O ATOM 426 CB GLU A 27 7.107 -32.162 -7.540 1.00 64.43 C ATOM 427 CG GLU A 27 6.650 -31.486 -8.822 1.00 1.54 C ATOM 428 CD GLU A 27 5.228 -31.852 -9.200 1.00 23.31 C ATOM 429 OE1 GLU A 27 4.296 -31.157 -8.745 1.00 0.53 O1- ATOM 430 OE2 GLU A 27 5.049 -32.833 -9.953 1.00 13.03 O ATOM 0 H GLU A 27 9.584 -32.812 -7.460 1.00 51.22 H new ATOM 0 HA GLU A 27 8.094 -30.327 -7.017 1.00 53.14 H new ATOM 0 HB2 GLU A 27 7.479 -33.158 -7.778 1.00 64.43 H new ATOM 0 HB3 GLU A 27 6.248 -32.291 -6.882 1.00 64.43 H new ATOM 0 HG2 GLU A 27 6.724 -30.405 -8.704 1.00 1.54 H new ATOM 0 HG3 GLU A 27 7.321 -31.765 -9.634 1.00 1.54 H new ATOM 437 N HIS A 28 7.655 -30.515 -4.596 1.00 1.34 N ATOM 438 CA HIS A 28 7.463 -30.569 -3.150 1.00 23.23 C ATOM 439 C HIS A 28 6.797 -29.293 -2.642 1.00 12.45 C ATOM 440 O HIS A 28 6.498 -28.386 -3.419 1.00 2.54 O ATOM 441 CB HIS A 28 8.803 -30.774 -2.444 1.00 64.15 C ATOM 442 CG HIS A 28 9.966 -30.189 -3.185 1.00 70.02 C ATOM 443 ND1 HIS A 28 9.906 -28.983 -3.849 1.00 64.13 N ATOM 444 CD2 HIS A 28 11.227 -30.652 -3.362 1.00 51.55 C ATOM 445 CE1 HIS A 28 11.077 -28.730 -4.406 1.00 15.35 C ATOM 446 NE2 HIS A 28 11.896 -29.726 -4.124 1.00 63.45 N ATOM 0 H HIS A 28 7.476 -29.601 -5.012 1.00 1.34 H new ATOM 0 HA HIS A 28 6.810 -31.413 -2.926 1.00 23.23 H new ATOM 0 HB2 HIS A 28 8.753 -30.327 -1.451 1.00 64.15 H new ATOM 0 HB3 HIS A 28 8.971 -31.842 -2.305 1.00 64.15 H new ATOM 0 HD2 HIS A 28 11.631 -31.576 -2.976 1.00 51.55 H new ATOM 0 HE1 HIS A 28 11.322 -27.857 -4.992 1.00 15.35 H new ATOM 0 HE2 HIS A 28 12.868 -29.796 -4.424 1.00 63.45 H new ATOM 454 N VAL A 29 6.568 -29.231 -1.334 1.00 54.23 N ATOM 455 CA VAL A 29 5.938 -28.067 -0.724 1.00 31.14 C ATOM 456 C VAL A 29 6.703 -27.616 0.516 1.00 41.44 C ATOM 457 O VAL A 29 6.902 -28.391 1.452 1.00 25.11 O ATOM 458 CB VAL A 29 4.477 -28.358 -0.334 1.00 21.50 C ATOM 459 CG1 VAL A 29 3.773 -27.080 0.093 1.00 32.45 C ATOM 460 CG2 VAL A 29 3.741 -29.023 -1.488 1.00 5.11 C ATOM 0 H VAL A 29 6.809 -29.973 -0.677 1.00 54.23 H new ATOM 0 HA VAL A 29 5.955 -27.271 -1.469 1.00 31.14 H new ATOM 0 HB VAL A 29 4.475 -29.045 0.513 1.00 21.50 H new ATOM 0 HG11 VAL A 29 2.742 -27.306 0.365 1.00 32.45 H new ATOM 0 HG12 VAL A 29 4.289 -26.650 0.952 1.00 32.45 H new ATOM 0 HG13 VAL A 29 3.783 -26.366 -0.731 1.00 32.45 H new ATOM 0 HG21 VAL A 29 2.710 -29.222 -1.196 1.00 5.11 H new ATOM 0 HG22 VAL A 29 3.751 -28.363 -2.355 1.00 5.11 H new ATOM 0 HG23 VAL A 29 4.234 -29.962 -1.741 1.00 5.11 H new ATOM 470 N TYR A 30 7.130 -26.357 0.516 1.00 54.15 N ATOM 471 CA TYR A 30 7.875 -25.803 1.640 1.00 42.42 C ATOM 472 C TYR A 30 7.207 -24.535 2.164 1.00 53.31 C ATOM 473 O TYR A 30 6.405 -23.909 1.470 1.00 71.04 O ATOM 474 CB TYR A 30 9.315 -25.499 1.224 1.00 40.44 C ATOM 475 CG TYR A 30 9.467 -25.187 -0.248 1.00 1.42 C ATOM 476 CD1 TYR A 30 9.716 -26.196 -1.170 1.00 23.33 C ATOM 477 CD2 TYR A 30 9.363 -23.883 -0.716 1.00 63.54 C ATOM 478 CE1 TYR A 30 9.857 -25.915 -2.515 1.00 42.43 C ATOM 479 CE2 TYR A 30 9.501 -23.593 -2.060 1.00 50.54 C ATOM 480 CZ TYR A 30 9.747 -24.613 -2.956 1.00 32.12 C ATOM 481 OH TYR A 30 9.886 -24.329 -4.295 1.00 33.15 O ATOM 0 H TYR A 30 6.973 -25.702 -0.250 1.00 54.15 H new ATOM 0 HA TYR A 30 7.883 -26.545 2.439 1.00 42.42 H new ATOM 0 HB2 TYR A 30 9.682 -24.653 1.806 1.00 40.44 H new ATOM 0 HB3 TYR A 30 9.944 -26.354 1.473 1.00 40.44 H new ATOM 0 HD1 TYR A 30 9.801 -27.217 -0.829 1.00 23.33 H new ATOM 0 HD2 TYR A 30 9.171 -23.082 -0.017 1.00 63.54 H new ATOM 0 HE1 TYR A 30 10.052 -26.711 -3.218 1.00 42.43 H new ATOM 0 HE2 TYR A 30 9.417 -22.574 -2.407 1.00 50.54 H new ATOM 0 HH TYR A 30 9.779 -23.365 -4.438 1.00 33.15 H new ATOM 491 N LYS A 31 7.543 -24.162 3.393 1.00 21.53 N ATOM 492 CA LYS A 31 6.980 -22.969 4.013 1.00 33.30 C ATOM 493 C LYS A 31 8.008 -21.844 4.062 1.00 72.40 C ATOM 494 O LYS A 31 9.198 -22.086 4.255 1.00 42.23 O ATOM 495 CB LYS A 31 6.488 -23.287 5.427 1.00 30.01 C ATOM 496 CG LYS A 31 5.827 -22.109 6.121 1.00 12.24 C ATOM 497 CD LYS A 31 5.581 -22.394 7.593 1.00 72.33 C ATOM 498 CE LYS A 31 4.362 -23.281 7.792 1.00 1.42 C ATOM 499 NZ LYS A 31 3.937 -23.328 9.220 1.00 74.42 N1+ ATOM 0 H LYS A 31 8.204 -24.670 3.981 1.00 21.53 H new ATOM 0 HA LYS A 31 6.136 -22.640 3.407 1.00 33.30 H new ATOM 0 HB2 LYS A 31 5.779 -24.114 5.379 1.00 30.01 H new ATOM 0 HB3 LYS A 31 7.332 -23.625 6.029 1.00 30.01 H new ATOM 0 HG2 LYS A 31 6.458 -21.226 6.021 1.00 12.24 H new ATOM 0 HG3 LYS A 31 4.881 -21.881 5.631 1.00 12.24 H new ATOM 0 HD2 LYS A 31 6.458 -22.877 8.023 1.00 72.33 H new ATOM 0 HD3 LYS A 31 5.440 -21.455 8.128 1.00 72.33 H new ATOM 0 HE2 LYS A 31 3.539 -22.910 7.180 1.00 1.42 H new ATOM 0 HE3 LYS A 31 4.587 -24.290 7.447 1.00 1.42 H new ATOM 0 HZ1 LYS A 31 3.103 -23.943 9.314 1.00 74.42 H new ATOM 0 HZ2 LYS A 31 4.713 -23.705 9.801 1.00 74.42 H new ATOM 0 HZ3 LYS A 31 3.698 -22.369 9.543 1.00 74.42 H new ATOM 513 N PHE A 32 7.539 -20.612 3.888 1.00 21.34 N ATOM 514 CA PHE A 32 8.418 -19.449 3.913 1.00 31.43 C ATOM 515 C PHE A 32 7.941 -18.428 4.942 1.00 73.13 C ATOM 516 O PHE A 32 6.821 -17.925 4.859 1.00 30.25 O ATOM 517 CB PHE A 32 8.483 -18.802 2.528 1.00 2.44 C ATOM 518 CG PHE A 32 9.864 -18.789 1.936 1.00 52.35 C ATOM 519 CD1 PHE A 32 10.843 -17.953 2.449 1.00 34.32 C ATOM 520 CD2 PHE A 32 10.182 -19.611 0.868 1.00 25.20 C ATOM 521 CE1 PHE A 32 12.114 -17.938 1.907 1.00 31.04 C ATOM 522 CE2 PHE A 32 11.451 -19.600 0.321 1.00 15.23 C ATOM 523 CZ PHE A 32 12.419 -18.764 0.842 1.00 34.24 C ATOM 0 H PHE A 32 6.555 -20.394 3.728 1.00 21.34 H new ATOM 0 HA PHE A 32 9.415 -19.785 4.196 1.00 31.43 H new ATOM 0 HB2 PHE A 32 7.813 -19.336 1.855 1.00 2.44 H new ATOM 0 HB3 PHE A 32 8.116 -17.778 2.597 1.00 2.44 H new ATOM 0 HD1 PHE A 32 10.610 -17.306 3.282 1.00 34.32 H new ATOM 0 HD2 PHE A 32 9.430 -20.268 0.458 1.00 25.20 H new ATOM 0 HE1 PHE A 32 12.868 -17.281 2.315 1.00 31.04 H new ATOM 0 HE2 PHE A 32 11.686 -20.245 -0.513 1.00 15.23 H new ATOM 0 HZ PHE A 32 13.412 -18.756 0.418 1.00 34.24 H new ATOM 533 N ARG A 33 8.800 -18.129 5.912 1.00 2.52 N ATOM 534 CA ARG A 33 8.466 -17.171 6.958 1.00 14.43 C ATOM 535 C ARG A 33 9.075 -15.804 6.658 1.00 75.14 C ATOM 536 O ARG A 33 10.264 -15.696 6.355 1.00 61.42 O ATOM 537 CB ARG A 33 8.959 -17.674 8.316 1.00 2.14 C ATOM 538 CG ARG A 33 7.838 -18.093 9.253 1.00 20.25 C ATOM 539 CD ARG A 33 8.172 -19.391 9.973 1.00 10.22 C ATOM 540 NE ARG A 33 8.702 -19.152 11.313 1.00 11.44 N ATOM 541 CZ ARG A 33 7.957 -18.762 12.340 1.00 10.32 C ATOM 542 NH1 ARG A 33 6.654 -18.569 12.183 1.00 23.32 N1+ ATOM 543 NH2 ARG A 33 8.513 -18.566 13.530 1.00 25.32 N ATOM 0 H ARG A 33 9.731 -18.536 5.994 1.00 2.52 H new ATOM 0 HA ARG A 33 7.381 -17.068 6.988 1.00 14.43 H new ATOM 0 HB2 ARG A 33 9.626 -18.521 8.160 1.00 2.14 H new ATOM 0 HB3 ARG A 33 9.546 -16.890 8.793 1.00 2.14 H new ATOM 0 HG2 ARG A 33 7.660 -17.305 9.985 1.00 20.25 H new ATOM 0 HG3 ARG A 33 6.915 -18.217 8.686 1.00 20.25 H new ATOM 0 HD2 ARG A 33 7.276 -20.008 10.042 1.00 10.22 H new ATOM 0 HD3 ARG A 33 8.902 -19.952 9.389 1.00 10.22 H new ATOM 0 HE ARG A 33 9.700 -19.293 11.468 1.00 11.44 H new ATOM 0 HH11 ARG A 33 6.222 -18.720 11.271 1.00 23.32 H new ATOM 0 HH12 ARG A 33 6.084 -18.269 12.974 1.00 23.32 H new ATOM 0 HH21 ARG A 33 9.514 -18.715 13.656 1.00 25.32 H new ATOM 0 HH22 ARG A 33 7.939 -18.266 14.318 1.00 25.32 H new ATOM 557 N ILE A 34 8.253 -14.763 6.743 1.00 62.22 N ATOM 558 CA ILE A 34 8.711 -13.405 6.480 1.00 24.14 C ATOM 559 C ILE A 34 8.626 -12.545 7.737 1.00 22.22 C ATOM 560 O ILE A 34 7.601 -11.917 8.006 1.00 15.22 O ATOM 561 CB ILE A 34 7.890 -12.740 5.360 1.00 45.40 C ATOM 562 CG1 ILE A 34 8.075 -13.498 4.045 1.00 40.21 C ATOM 563 CG2 ILE A 34 8.294 -11.283 5.201 1.00 73.20 C ATOM 564 CD1 ILE A 34 9.518 -13.590 3.598 1.00 0.34 C ATOM 0 H ILE A 34 7.266 -14.835 6.992 1.00 62.22 H new ATOM 0 HA ILE A 34 9.751 -13.478 6.161 1.00 24.14 H new ATOM 0 HB ILE A 34 6.835 -12.775 5.632 1.00 45.40 H new ATOM 0 HG12 ILE A 34 7.673 -14.505 4.156 1.00 40.21 H new ATOM 0 HG13 ILE A 34 7.493 -13.006 3.266 1.00 40.21 H new ATOM 0 HG21 ILE A 34 7.705 -10.827 4.406 1.00 73.20 H new ATOM 0 HG22 ILE A 34 8.115 -10.752 6.136 1.00 73.20 H new ATOM 0 HG23 ILE A 34 9.353 -11.225 4.948 1.00 73.20 H new ATOM 0 HD11 ILE A 34 9.574 -14.141 2.659 1.00 0.34 H new ATOM 0 HD12 ILE A 34 9.919 -12.587 3.455 1.00 0.34 H new ATOM 0 HD13 ILE A 34 10.102 -14.109 4.358 1.00 0.34 H new ATOM 576 N THR A 35 9.712 -12.518 8.504 1.00 73.35 N ATOM 577 CA THR A 35 9.761 -11.734 9.732 1.00 10.14 C ATOM 578 C THR A 35 10.117 -10.281 9.442 1.00 21.43 C ATOM 579 O THR A 35 10.975 -9.997 8.606 1.00 61.13 O ATOM 580 CB THR A 35 10.785 -12.313 10.727 1.00 42.42 C ATOM 581 OG1 THR A 35 11.961 -12.735 10.029 1.00 61.24 O ATOM 582 CG2 THR A 35 10.192 -13.487 11.490 1.00 21.42 C ATOM 0 H THR A 35 10.569 -13.030 8.296 1.00 73.35 H new ATOM 0 HA THR A 35 8.767 -11.780 10.177 1.00 10.14 H new ATOM 0 HB THR A 35 11.048 -11.532 11.441 1.00 42.42 H new ATOM 0 HG1 THR A 35 12.608 -13.100 10.668 1.00 61.24 H new ATOM 0 HG21 THR A 35 10.933 -13.880 12.187 1.00 21.42 H new ATOM 0 HG22 THR A 35 9.314 -13.155 12.043 1.00 21.42 H new ATOM 0 HG23 THR A 35 9.904 -14.269 10.788 1.00 21.42 H new ATOM 590 N GLN A 36 9.453 -9.363 10.137 1.00 63.41 N ATOM 591 CA GLN A 36 9.700 -7.938 9.954 1.00 14.20 C ATOM 592 C GLN A 36 9.395 -7.163 11.232 1.00 45.14 C ATOM 593 O GLN A 36 8.237 -7.030 11.628 1.00 5.11 O ATOM 594 CB GLN A 36 8.854 -7.397 8.800 1.00 55.11 C ATOM 595 CG GLN A 36 8.950 -8.230 7.532 1.00 62.44 C ATOM 596 CD GLN A 36 8.274 -7.568 6.347 1.00 40.34 C ATOM 597 OE1 GLN A 36 7.451 -8.181 5.666 1.00 43.51 O ATOM 598 NE2 GLN A 36 8.618 -6.312 6.094 1.00 20.34 N ATOM 0 H GLN A 36 8.739 -9.581 10.832 1.00 63.41 H new ATOM 0 HA GLN A 36 10.755 -7.806 9.715 1.00 14.20 H new ATOM 0 HB2 GLN A 36 7.812 -7.350 9.116 1.00 55.11 H new ATOM 0 HB3 GLN A 36 9.167 -6.376 8.579 1.00 55.11 H new ATOM 0 HG2 GLN A 36 9.999 -8.405 7.296 1.00 62.44 H new ATOM 0 HG3 GLN A 36 8.495 -9.205 7.707 1.00 62.44 H new ATOM 0 HE21 GLN A 36 9.304 -5.842 6.684 1.00 20.34 H new ATOM 0 HE22 GLN A 36 8.196 -5.816 5.309 1.00 20.34 H new ATOM 607 N GLY A 37 10.441 -6.654 11.874 1.00 64.45 N ATOM 608 CA GLY A 37 10.264 -5.899 13.100 1.00 34.24 C ATOM 609 C GLY A 37 10.670 -6.687 14.330 1.00 24.32 C ATOM 610 O GLY A 37 10.381 -6.285 15.457 1.00 10.20 O ATOM 0 H GLY A 37 11.409 -6.751 11.567 1.00 64.45 H new ATOM 0 HA2 GLY A 37 10.854 -4.984 13.048 1.00 34.24 H new ATOM 0 HA3 GLY A 37 9.220 -5.601 13.192 1.00 34.24 H new ATOM 614 N GLY A 38 11.341 -7.814 14.113 1.00 74.12 N ATOM 615 CA GLY A 38 11.776 -8.643 15.223 1.00 13.31 C ATOM 616 C GLY A 38 10.924 -9.887 15.383 1.00 0.22 C ATOM 617 O GLY A 38 11.337 -10.852 16.027 1.00 3.34 O ATOM 0 H GLY A 38 11.591 -8.168 13.190 1.00 74.12 H new ATOM 0 HA2 GLY A 38 12.815 -8.935 15.070 1.00 13.31 H new ATOM 0 HA3 GLY A 38 11.741 -8.061 16.144 1.00 13.31 H new ATOM 621 N LYS A 39 9.731 -9.865 14.800 1.00 34.44 N ATOM 622 CA LYS A 39 8.817 -10.999 14.882 1.00 44.41 C ATOM 623 C LYS A 39 8.114 -11.227 13.548 1.00 41.22 C ATOM 624 O LYS A 39 8.067 -10.338 12.699 1.00 21.13 O ATOM 625 CB LYS A 39 7.781 -10.767 15.984 1.00 12.35 C ATOM 626 CG LYS A 39 8.064 -11.544 17.258 1.00 61.01 C ATOM 627 CD LYS A 39 7.033 -11.244 18.334 1.00 62.52 C ATOM 628 CE LYS A 39 5.891 -12.247 18.304 1.00 2.21 C ATOM 629 NZ LYS A 39 5.174 -12.309 19.609 1.00 31.32 N1+ ATOM 0 H LYS A 39 9.373 -9.074 14.265 1.00 34.44 H new ATOM 0 HA LYS A 39 9.400 -11.888 15.122 1.00 44.41 H new ATOM 0 HB2 LYS A 39 7.744 -9.703 16.218 1.00 12.35 H new ATOM 0 HB3 LYS A 39 6.796 -11.046 15.610 1.00 12.35 H new ATOM 0 HG2 LYS A 39 8.065 -12.612 17.041 1.00 61.01 H new ATOM 0 HG3 LYS A 39 9.059 -11.292 17.626 1.00 61.01 H new ATOM 0 HD2 LYS A 39 7.511 -11.264 19.313 1.00 62.52 H new ATOM 0 HD3 LYS A 39 6.639 -10.238 18.192 1.00 62.52 H new ATOM 0 HE2 LYS A 39 5.189 -11.975 17.516 1.00 2.21 H new ATOM 0 HE3 LYS A 39 6.281 -13.234 18.056 1.00 2.21 H new ATOM 0 HZ1 LYS A 39 4.403 -13.004 19.549 1.00 31.32 H new ATOM 0 HZ2 LYS A 39 5.838 -12.593 20.357 1.00 31.32 H new ATOM 0 HZ3 LYS A 39 4.780 -11.373 19.833 1.00 31.32 H new ATOM 643 N VAL A 40 7.566 -12.426 13.371 1.00 13.33 N ATOM 644 CA VAL A 40 6.863 -12.772 12.142 1.00 41.44 C ATOM 645 C VAL A 40 5.712 -11.808 11.878 1.00 63.31 C ATOM 646 O VAL A 40 4.956 -11.462 12.787 1.00 63.13 O ATOM 647 CB VAL A 40 6.313 -14.209 12.194 1.00 45.24 C ATOM 648 CG1 VAL A 40 5.540 -14.532 10.924 1.00 55.31 C ATOM 649 CG2 VAL A 40 7.443 -15.204 12.409 1.00 51.40 C ATOM 0 H VAL A 40 7.596 -13.174 14.064 1.00 13.33 H new ATOM 0 HA VAL A 40 7.588 -12.699 11.332 1.00 41.44 H new ATOM 0 HB VAL A 40 5.626 -14.287 13.037 1.00 45.24 H new ATOM 0 HG11 VAL A 40 5.159 -15.552 10.979 1.00 55.31 H new ATOM 0 HG12 VAL A 40 4.706 -13.838 10.819 1.00 55.31 H new ATOM 0 HG13 VAL A 40 6.201 -14.438 10.062 1.00 55.31 H new ATOM 0 HG21 VAL A 40 7.036 -16.215 12.443 1.00 51.40 H new ATOM 0 HG22 VAL A 40 8.156 -15.127 11.588 1.00 51.40 H new ATOM 0 HG23 VAL A 40 7.948 -14.984 13.350 1.00 51.40 H new ATOM 659 N VAL A 41 5.582 -11.377 10.627 1.00 34.35 N ATOM 660 CA VAL A 41 4.521 -10.453 10.243 1.00 44.34 C ATOM 661 C VAL A 41 3.522 -11.124 9.307 1.00 12.15 C ATOM 662 O VAL A 41 2.349 -10.752 9.264 1.00 4.11 O ATOM 663 CB VAL A 41 5.092 -9.199 9.553 1.00 3.41 C ATOM 664 CG1 VAL A 41 5.803 -8.312 10.563 1.00 40.14 C ATOM 665 CG2 VAL A 41 6.030 -9.593 8.422 1.00 22.42 C ATOM 0 H VAL A 41 6.198 -11.653 9.862 1.00 34.35 H new ATOM 0 HA VAL A 41 4.013 -10.155 11.160 1.00 44.34 H new ATOM 0 HB VAL A 41 4.265 -8.632 9.126 1.00 3.41 H new ATOM 0 HG11 VAL A 41 6.200 -7.431 10.058 1.00 40.14 H new ATOM 0 HG12 VAL A 41 5.098 -8.001 11.334 1.00 40.14 H new ATOM 0 HG13 VAL A 41 6.621 -8.867 11.022 1.00 40.14 H new ATOM 0 HG21 VAL A 41 6.424 -8.695 7.946 1.00 22.42 H new ATOM 0 HG22 VAL A 41 6.855 -10.183 8.822 1.00 22.42 H new ATOM 0 HG23 VAL A 41 5.485 -10.184 7.686 1.00 22.42 H new ATOM 675 N LYS A 42 3.993 -12.115 8.559 1.00 42.43 N ATOM 676 CA LYS A 42 3.141 -12.841 7.624 1.00 33.55 C ATOM 677 C LYS A 42 3.853 -14.079 7.087 1.00 43.41 C ATOM 678 O LYS A 42 5.041 -14.034 6.771 1.00 1.03 O ATOM 679 CB LYS A 42 2.732 -11.931 6.463 1.00 52.12 C ATOM 680 CG LYS A 42 1.235 -11.692 6.375 1.00 64.32 C ATOM 681 CD LYS A 42 0.901 -10.211 6.437 1.00 52.31 C ATOM 682 CE LYS A 42 0.132 -9.864 7.703 1.00 23.22 C ATOM 683 NZ LYS A 42 -1.056 -9.015 7.415 1.00 13.02 N1+ ATOM 0 H LYS A 42 4.961 -12.435 8.582 1.00 42.43 H new ATOM 0 HA LYS A 42 2.247 -13.161 8.159 1.00 33.55 H new ATOM 0 HB2 LYS A 42 3.239 -10.972 6.568 1.00 52.12 H new ATOM 0 HB3 LYS A 42 3.076 -12.372 5.528 1.00 52.12 H new ATOM 0 HG2 LYS A 42 0.853 -12.113 5.445 1.00 64.32 H new ATOM 0 HG3 LYS A 42 0.734 -12.213 7.191 1.00 64.32 H new ATOM 0 HD2 LYS A 42 1.821 -9.628 6.398 1.00 52.31 H new ATOM 0 HD3 LYS A 42 0.310 -9.934 5.564 1.00 52.31 H new ATOM 0 HE2 LYS A 42 -0.188 -10.782 8.196 1.00 23.22 H new ATOM 0 HE3 LYS A 42 0.791 -9.343 8.397 1.00 23.22 H new ATOM 0 HZ1 LYS A 42 -1.553 -8.801 8.303 1.00 13.02 H new ATOM 0 HZ2 LYS A 42 -0.749 -8.128 6.967 1.00 13.02 H new ATOM 0 HZ3 LYS A 42 -1.698 -9.522 6.773 1.00 13.02 H new ATOM 697 N ASN A 43 3.117 -15.181 6.986 1.00 34.54 N ATOM 698 CA ASN A 43 3.678 -16.430 6.486 1.00 55.25 C ATOM 699 C ASN A 43 3.602 -16.491 4.965 1.00 40.53 C ATOM 700 O ASN A 43 2.860 -15.733 4.340 1.00 31.40 O ATOM 701 CB ASN A 43 2.938 -17.624 7.094 1.00 53.41 C ATOM 702 CG ASN A 43 3.886 -18.689 7.614 1.00 44.33 C ATOM 703 OD1 ASN A 43 4.437 -19.475 6.843 1.00 24.42 O ATOM 704 ND2 ASN A 43 4.079 -18.718 8.926 1.00 72.11 N ATOM 0 H ASN A 43 2.132 -15.234 7.244 1.00 34.54 H new ATOM 0 HA ASN A 43 4.727 -16.472 6.780 1.00 55.25 H new ATOM 0 HB2 ASN A 43 2.303 -17.277 7.909 1.00 53.41 H new ATOM 0 HB3 ASN A 43 2.281 -18.062 6.342 1.00 53.41 H new ATOM 0 HD21 ASN A 43 4.706 -19.412 9.334 1.00 72.11 H new ATOM 0 HD22 ASN A 43 3.601 -18.047 9.527 1.00 72.11 H new ATOM 711 N TRP A 44 4.373 -17.397 4.374 1.00 22.12 N ATOM 712 CA TRP A 44 4.393 -17.557 2.924 1.00 23.21 C ATOM 713 C TRP A 44 4.402 -19.032 2.540 1.00 15.33 C ATOM 714 O TRP A 44 4.990 -19.862 3.235 1.00 44.21 O ATOM 715 CB TRP A 44 5.614 -16.853 2.329 1.00 45.14 C ATOM 716 CG TRP A 44 5.266 -15.633 1.532 1.00 71.55 C ATOM 717 CD1 TRP A 44 5.137 -15.551 0.174 1.00 73.33 C ATOM 718 CD2 TRP A 44 5.003 -14.321 2.042 1.00 22.02 C ATOM 719 NE1 TRP A 44 4.811 -14.266 -0.189 1.00 52.22 N ATOM 720 CE2 TRP A 44 4.723 -13.493 0.938 1.00 25.04 C ATOM 721 CE3 TRP A 44 4.977 -13.766 3.325 1.00 55.22 C ATOM 722 CZ2 TRP A 44 4.421 -12.141 1.079 1.00 62.41 C ATOM 723 CZ3 TRP A 44 4.678 -12.425 3.463 1.00 62.30 C ATOM 724 CH2 TRP A 44 4.402 -11.624 2.346 1.00 1.02 C ATOM 0 H TRP A 44 4.993 -18.032 4.877 1.00 22.12 H new ATOM 0 HA TRP A 44 3.489 -17.102 2.520 1.00 23.21 H new ATOM 0 HB2 TRP A 44 6.291 -16.571 3.136 1.00 45.14 H new ATOM 0 HB3 TRP A 44 6.153 -17.553 1.691 1.00 45.14 H new ATOM 0 HD1 TRP A 44 5.271 -16.374 -0.512 1.00 73.33 H new ATOM 0 HE1 TRP A 44 4.659 -13.941 -1.144 1.00 52.22 H new ATOM 0 HE3 TRP A 44 5.187 -14.375 4.192 1.00 55.22 H new ATOM 0 HZ2 TRP A 44 4.209 -11.523 0.219 1.00 62.41 H new ATOM 0 HZ3 TRP A 44 4.656 -11.985 4.449 1.00 62.30 H new ATOM 0 HH2 TRP A 44 4.170 -10.579 2.488 1.00 1.02 H new ATOM 735 N VAL A 45 3.749 -19.354 1.428 1.00 5.25 N ATOM 736 CA VAL A 45 3.684 -20.730 0.951 1.00 60.54 C ATOM 737 C VAL A 45 3.996 -20.809 -0.540 1.00 5.42 C ATOM 738 O VAL A 45 3.541 -19.977 -1.325 1.00 33.13 O ATOM 739 CB VAL A 45 2.297 -21.349 1.207 1.00 52.33 C ATOM 740 CG1 VAL A 45 2.117 -22.615 0.383 1.00 0.31 C ATOM 741 CG2 VAL A 45 2.109 -21.635 2.689 1.00 33.43 C ATOM 0 H VAL A 45 3.257 -18.680 0.841 1.00 5.25 H new ATOM 0 HA VAL A 45 4.433 -21.294 1.508 1.00 60.54 H new ATOM 0 HB VAL A 45 1.535 -20.633 0.899 1.00 52.33 H new ATOM 0 HG11 VAL A 45 1.131 -23.038 0.577 1.00 0.31 H new ATOM 0 HG12 VAL A 45 2.207 -22.375 -0.677 1.00 0.31 H new ATOM 0 HG13 VAL A 45 2.884 -23.340 0.657 1.00 0.31 H new ATOM 0 HG21 VAL A 45 1.124 -22.072 2.853 1.00 33.43 H new ATOM 0 HG22 VAL A 45 2.876 -22.333 3.025 1.00 33.43 H new ATOM 0 HG23 VAL A 45 2.192 -20.706 3.252 1.00 33.43 H new ATOM 751 N MET A 46 4.775 -21.816 -0.923 1.00 62.23 N ATOM 752 CA MET A 46 5.146 -22.005 -2.320 1.00 35.14 C ATOM 753 C MET A 46 4.351 -23.148 -2.945 1.00 72.04 C ATOM 754 O MET A 46 4.556 -24.315 -2.611 1.00 51.41 O ATOM 755 CB MET A 46 6.644 -22.288 -2.438 1.00 33.01 C ATOM 756 CG MET A 46 7.415 -21.193 -3.161 1.00 43.13 C ATOM 757 SD MET A 46 8.128 -19.985 -2.029 1.00 65.24 S ATOM 758 CE MET A 46 9.869 -20.141 -2.420 1.00 25.52 C ATOM 0 H MET A 46 5.161 -22.513 -0.286 1.00 62.23 H new ATOM 0 HA MET A 46 4.913 -21.086 -2.859 1.00 35.14 H new ATOM 0 HB2 MET A 46 7.061 -22.416 -1.439 1.00 33.01 H new ATOM 0 HB3 MET A 46 6.787 -23.231 -2.966 1.00 33.01 H new ATOM 0 HG2 MET A 46 8.211 -21.644 -3.753 1.00 43.13 H new ATOM 0 HG3 MET A 46 6.749 -20.684 -3.858 1.00 43.13 H new ATOM 0 HE1 MET A 46 10.367 -19.186 -2.252 1.00 25.52 H new ATOM 0 HE2 MET A 46 10.318 -20.902 -1.782 1.00 25.52 H new ATOM 0 HE3 MET A 46 9.983 -20.430 -3.465 1.00 25.52 H new ATOM 768 N ASP A 47 3.442 -22.805 -3.852 1.00 71.12 N ATOM 769 CA ASP A 47 2.616 -23.802 -4.522 1.00 32.40 C ATOM 770 C ASP A 47 3.316 -24.336 -5.768 1.00 53.15 C ATOM 771 O ASP A 47 3.183 -23.775 -6.858 1.00 2.25 O ATOM 772 CB ASP A 47 1.261 -23.203 -4.900 1.00 13.44 C ATOM 773 CG ASP A 47 0.126 -24.194 -4.741 1.00 55.42 C ATOM 774 OD1 ASP A 47 0.297 -25.364 -5.146 1.00 72.40 O ATOM 775 OD2 ASP A 47 -0.934 -23.801 -4.211 1.00 11.32 O1- ATOM 0 H ASP A 47 3.259 -21.844 -4.140 1.00 71.12 H new ATOM 0 HA ASP A 47 2.457 -24.631 -3.832 1.00 32.40 H new ATOM 0 HB2 ASP A 47 1.067 -22.330 -4.278 1.00 13.44 H new ATOM 0 HB3 ASP A 47 1.295 -22.857 -5.933 1.00 13.44 H new ATOM 780 N LEU A 48 4.061 -25.423 -5.602 1.00 3.45 N ATOM 781 CA LEU A 48 4.782 -26.034 -6.714 1.00 34.13 C ATOM 782 C LEU A 48 3.847 -26.880 -7.571 1.00 74.54 C ATOM 783 O LEU A 48 4.228 -27.360 -8.639 1.00 65.54 O ATOM 784 CB LEU A 48 5.932 -26.896 -6.189 1.00 41.41 C ATOM 785 CG LEU A 48 7.186 -26.142 -5.743 1.00 71.10 C ATOM 786 CD1 LEU A 48 7.048 -25.685 -4.299 1.00 72.14 C ATOM 787 CD2 LEU A 48 8.422 -27.014 -5.912 1.00 24.33 C ATOM 0 H LEU A 48 4.182 -25.900 -4.708 1.00 3.45 H new ATOM 0 HA LEU A 48 5.188 -25.235 -7.334 1.00 34.13 H new ATOM 0 HB2 LEU A 48 5.565 -27.482 -5.346 1.00 41.41 H new ATOM 0 HB3 LEU A 48 6.215 -27.603 -6.969 1.00 41.41 H new ATOM 0 HG LEU A 48 7.299 -25.260 -6.373 1.00 71.10 H new ATOM 0 HD11 LEU A 48 7.949 -25.150 -3.999 1.00 72.14 H new ATOM 0 HD12 LEU A 48 6.186 -25.024 -4.207 1.00 72.14 H new ATOM 0 HD13 LEU A 48 6.909 -26.553 -3.654 1.00 72.14 H new ATOM 0 HD21 LEU A 48 9.304 -26.461 -5.590 1.00 24.33 H new ATOM 0 HD22 LEU A 48 8.317 -27.915 -5.307 1.00 24.33 H new ATOM 0 HD23 LEU A 48 8.531 -27.292 -6.960 1.00 24.33 H new ATOM 799 N LYS A 49 2.619 -27.061 -7.096 1.00 53.41 N ATOM 800 CA LYS A 49 1.626 -27.847 -7.819 1.00 44.45 C ATOM 801 C LYS A 49 0.948 -27.007 -8.897 1.00 13.33 C ATOM 802 O LYS A 49 0.920 -27.388 -10.067 1.00 1.23 O ATOM 803 CB LYS A 49 0.577 -28.397 -6.850 1.00 43.22 C ATOM 804 CG LYS A 49 0.466 -29.912 -6.869 1.00 30.32 C ATOM 805 CD LYS A 49 -0.491 -30.414 -5.802 1.00 53.45 C ATOM 806 CE LYS A 49 -1.151 -31.721 -6.215 1.00 64.21 C ATOM 807 NZ LYS A 49 -2.513 -31.865 -5.630 1.00 62.40 N1+ ATOM 0 H LYS A 49 2.288 -26.674 -6.213 1.00 53.41 H new ATOM 0 HA LYS A 49 2.138 -28.680 -8.301 1.00 44.45 H new ATOM 0 HB2 LYS A 49 0.823 -28.072 -5.839 1.00 43.22 H new ATOM 0 HB3 LYS A 49 -0.394 -27.967 -7.096 1.00 43.22 H new ATOM 0 HG2 LYS A 49 0.123 -30.240 -7.850 1.00 30.32 H new ATOM 0 HG3 LYS A 49 1.451 -30.352 -6.712 1.00 30.32 H new ATOM 0 HD2 LYS A 49 0.049 -30.558 -4.866 1.00 53.45 H new ATOM 0 HD3 LYS A 49 -1.257 -29.661 -5.616 1.00 53.45 H new ATOM 0 HE2 LYS A 49 -1.216 -31.767 -7.302 1.00 64.21 H new ATOM 0 HE3 LYS A 49 -0.529 -32.558 -5.897 1.00 64.21 H new ATOM 0 HZ1 LYS A 49 -2.928 -32.768 -5.935 1.00 62.40 H new ATOM 0 HZ2 LYS A 49 -2.449 -31.847 -4.592 1.00 62.40 H new ATOM 0 HZ3 LYS A 49 -3.114 -31.081 -5.953 1.00 62.40 H new ATOM 821 N ASN A 50 0.403 -25.864 -8.495 1.00 2.35 N ATOM 822 CA ASN A 50 -0.275 -24.971 -9.427 1.00 41.40 C ATOM 823 C ASN A 50 0.720 -24.029 -10.099 1.00 40.41 C ATOM 824 O ASN A 50 0.356 -23.250 -10.979 1.00 2.41 O ATOM 825 CB ASN A 50 -1.350 -24.160 -8.699 1.00 14.33 C ATOM 826 CG ASN A 50 -2.677 -24.169 -9.433 1.00 4.31 C ATOM 827 OD1 ASN A 50 -2.733 -23.927 -10.640 1.00 4.24 O ATOM 828 ND2 ASN A 50 -3.753 -24.450 -8.707 1.00 4.23 N ATOM 0 H ASN A 50 0.418 -25.534 -7.530 1.00 2.35 H new ATOM 0 HA ASN A 50 -0.748 -25.581 -10.197 1.00 41.40 H new ATOM 0 HB2 ASN A 50 -1.490 -24.564 -7.696 1.00 14.33 H new ATOM 0 HB3 ASN A 50 -1.009 -23.131 -8.583 1.00 14.33 H new ATOM 0 HD21 ASN A 50 -4.673 -24.472 -9.146 1.00 4.23 H new ATOM 0 HD22 ASN A 50 -3.659 -24.644 -7.710 1.00 4.23 H new ATOM 835 N VAL A 51 1.979 -24.109 -9.678 1.00 64.11 N ATOM 836 CA VAL A 51 3.026 -23.265 -10.239 1.00 54.52 C ATOM 837 C VAL A 51 2.772 -21.794 -9.934 1.00 42.10 C ATOM 838 O VAL A 51 2.875 -20.938 -10.812 1.00 10.33 O ATOM 839 CB VAL A 51 3.138 -23.449 -11.765 1.00 71.44 C ATOM 840 CG1 VAL A 51 4.534 -23.085 -12.246 1.00 71.12 C ATOM 841 CG2 VAL A 51 2.786 -24.876 -12.156 1.00 50.43 C ATOM 0 H VAL A 51 2.297 -24.749 -8.951 1.00 64.11 H new ATOM 0 HA VAL A 51 3.962 -23.572 -9.773 1.00 54.52 H new ATOM 0 HB VAL A 51 2.427 -22.778 -12.248 1.00 71.44 H new ATOM 0 HG11 VAL A 51 4.594 -23.221 -13.326 1.00 71.12 H new ATOM 0 HG12 VAL A 51 4.744 -22.044 -11.999 1.00 71.12 H new ATOM 0 HG13 VAL A 51 5.266 -23.728 -11.758 1.00 71.12 H new ATOM 0 HG21 VAL A 51 2.870 -24.988 -13.237 1.00 50.43 H new ATOM 0 HG22 VAL A 51 3.471 -25.567 -11.665 1.00 50.43 H new ATOM 0 HG23 VAL A 51 1.764 -25.096 -11.847 1.00 50.43 H new ATOM 851 N LYS A 52 2.438 -21.505 -8.680 1.00 54.43 N ATOM 852 CA LYS A 52 2.170 -20.137 -8.256 1.00 32.42 C ATOM 853 C LYS A 52 2.547 -19.937 -6.790 1.00 50.21 C ATOM 854 O LYS A 52 2.482 -20.871 -5.990 1.00 11.15 O ATOM 855 CB LYS A 52 0.691 -19.797 -8.461 1.00 21.22 C ATOM 856 CG LYS A 52 0.336 -18.371 -8.080 1.00 10.13 C ATOM 857 CD LYS A 52 -0.858 -17.863 -8.872 1.00 32.21 C ATOM 858 CE LYS A 52 -1.204 -16.430 -8.500 1.00 73.31 C ATOM 859 NZ LYS A 52 -2.670 -16.176 -8.574 1.00 35.03 N1+ ATOM 0 H LYS A 52 2.347 -22.201 -7.940 1.00 54.43 H new ATOM 0 HA LYS A 52 2.779 -19.470 -8.866 1.00 32.42 H new ATOM 0 HB2 LYS A 52 0.431 -19.960 -9.507 1.00 21.22 H new ATOM 0 HB3 LYS A 52 0.084 -20.484 -7.871 1.00 21.22 H new ATOM 0 HG2 LYS A 52 0.114 -18.323 -7.014 1.00 10.13 H new ATOM 0 HG3 LYS A 52 1.194 -17.722 -8.257 1.00 10.13 H new ATOM 0 HD2 LYS A 52 -0.640 -17.921 -9.938 1.00 32.21 H new ATOM 0 HD3 LYS A 52 -1.719 -18.506 -8.687 1.00 32.21 H new ATOM 0 HE2 LYS A 52 -0.850 -16.221 -7.491 1.00 73.31 H new ATOM 0 HE3 LYS A 52 -0.683 -15.745 -9.169 1.00 73.31 H new ATOM 0 HZ1 LYS A 52 -2.865 -15.188 -8.313 1.00 35.03 H new ATOM 0 HZ2 LYS A 52 -3.004 -16.351 -9.543 1.00 35.03 H new ATOM 0 HZ3 LYS A 52 -3.166 -16.812 -7.917 1.00 35.03 H new ATOM 873 N LEU A 53 2.942 -18.716 -6.447 1.00 61.23 N ATOM 874 CA LEU A 53 3.329 -18.395 -5.077 1.00 12.34 C ATOM 875 C LEU A 53 2.196 -17.683 -4.345 1.00 64.35 C ATOM 876 O LEU A 53 1.542 -16.799 -4.899 1.00 64.45 O ATOM 877 CB LEU A 53 4.583 -17.518 -5.074 1.00 22.14 C ATOM 878 CG LEU A 53 5.781 -18.067 -4.298 1.00 22.44 C ATOM 879 CD1 LEU A 53 6.851 -18.570 -5.255 1.00 71.22 C ATOM 880 CD2 LEU A 53 6.350 -17.001 -3.373 1.00 42.33 C ATOM 0 H LEU A 53 3.003 -17.933 -7.097 1.00 61.23 H new ATOM 0 HA LEU A 53 3.544 -19.329 -4.557 1.00 12.34 H new ATOM 0 HB2 LEU A 53 4.889 -17.352 -6.107 1.00 22.14 H new ATOM 0 HB3 LEU A 53 4.321 -16.545 -4.659 1.00 22.14 H new ATOM 0 HG LEU A 53 5.443 -18.906 -3.690 1.00 22.44 H new ATOM 0 HD11 LEU A 53 7.696 -18.957 -4.685 1.00 71.22 H new ATOM 0 HD12 LEU A 53 6.438 -19.364 -5.877 1.00 71.22 H new ATOM 0 HD13 LEU A 53 7.186 -17.750 -5.889 1.00 71.22 H new ATOM 0 HD21 LEU A 53 7.202 -17.409 -2.829 1.00 42.33 H new ATOM 0 HD22 LEU A 53 6.673 -16.143 -3.962 1.00 42.33 H new ATOM 0 HD23 LEU A 53 5.583 -16.687 -2.665 1.00 42.33 H new ATOM 892 N VAL A 54 1.970 -18.073 -3.094 1.00 5.45 N ATOM 893 CA VAL A 54 0.919 -17.471 -2.283 1.00 41.23 C ATOM 894 C VAL A 54 1.383 -17.268 -0.845 1.00 45.12 C ATOM 895 O VAL A 54 2.392 -17.830 -0.424 1.00 72.40 O ATOM 896 CB VAL A 54 -0.356 -18.335 -2.284 1.00 72.04 C ATOM 897 CG1 VAL A 54 -0.726 -18.739 -3.703 1.00 71.10 C ATOM 898 CG2 VAL A 54 -0.167 -19.561 -1.403 1.00 11.01 C ATOM 0 H VAL A 54 2.501 -18.804 -2.620 1.00 5.45 H new ATOM 0 HA VAL A 54 0.691 -16.502 -2.728 1.00 41.23 H new ATOM 0 HB VAL A 54 -1.176 -17.745 -1.875 1.00 72.04 H new ATOM 0 HG11 VAL A 54 -1.629 -19.349 -3.684 1.00 71.10 H new ATOM 0 HG12 VAL A 54 -0.904 -17.845 -4.301 1.00 71.10 H new ATOM 0 HG13 VAL A 54 0.090 -19.313 -4.142 1.00 71.10 H new ATOM 0 HG21 VAL A 54 -1.077 -20.161 -1.414 1.00 11.01 H new ATOM 0 HG22 VAL A 54 0.665 -20.156 -1.781 1.00 11.01 H new ATOM 0 HG23 VAL A 54 0.047 -19.246 -0.382 1.00 11.01 H new ATOM 908 N GLU A 55 0.635 -16.462 -0.096 1.00 21.23 N ATOM 909 CA GLU A 55 0.970 -16.186 1.296 1.00 34.21 C ATOM 910 C GLU A 55 0.036 -16.938 2.240 1.00 31.12 C ATOM 911 O GLU A 55 -1.159 -16.655 2.303 1.00 24.40 O ATOM 912 CB GLU A 55 0.892 -14.684 1.574 1.00 60.31 C ATOM 913 CG GLU A 55 -0.430 -14.057 1.164 1.00 21.34 C ATOM 914 CD GLU A 55 -1.166 -13.432 2.333 1.00 40.15 C ATOM 915 OE1 GLU A 55 -1.662 -14.188 3.195 1.00 73.52 O1- ATOM 916 OE2 GLU A 55 -1.248 -12.187 2.386 1.00 15.53 O ATOM 0 H GLU A 55 -0.205 -15.990 -0.430 1.00 21.23 H new ATOM 0 HA GLU A 55 1.990 -16.529 1.472 1.00 34.21 H new ATOM 0 HB2 GLU A 55 1.052 -14.511 2.638 1.00 60.31 H new ATOM 0 HB3 GLU A 55 1.702 -14.182 1.045 1.00 60.31 H new ATOM 0 HG2 GLU A 55 -0.247 -13.296 0.406 1.00 21.34 H new ATOM 0 HG3 GLU A 55 -1.062 -14.818 0.706 1.00 21.34 H new ATOM 923 N SER A 56 0.592 -17.899 2.971 1.00 73.41 N ATOM 924 CA SER A 56 -0.190 -18.696 3.908 1.00 43.24 C ATOM 925 C SER A 56 0.720 -19.523 4.811 1.00 1.33 C ATOM 926 O SER A 56 1.925 -19.616 4.578 1.00 11.10 O ATOM 927 CB SER A 56 -1.150 -19.617 3.151 1.00 44.34 C ATOM 928 OG SER A 56 -2.469 -19.100 3.165 1.00 12.25 O ATOM 0 H SER A 56 1.581 -18.144 2.932 1.00 73.41 H new ATOM 0 HA SER A 56 -0.768 -18.014 4.531 1.00 43.24 H new ATOM 0 HB2 SER A 56 -0.812 -19.732 2.121 1.00 44.34 H new ATOM 0 HB3 SER A 56 -1.140 -20.609 3.603 1.00 44.34 H new ATOM 0 HG SER A 56 -2.454 -18.158 2.895 1.00 12.25 H new ATOM 934 N ASP A 57 0.134 -20.123 5.841 1.00 31.32 N ATOM 935 CA ASP A 57 0.891 -20.944 6.779 1.00 71.22 C ATOM 936 C ASP A 57 0.300 -22.347 6.874 1.00 51.13 C ATOM 937 O ASP A 57 -0.829 -22.525 7.334 1.00 50.20 O ATOM 938 CB ASP A 57 0.911 -20.290 8.162 1.00 63.23 C ATOM 939 CG ASP A 57 -0.347 -19.493 8.443 1.00 3.54 C ATOM 940 OD1 ASP A 57 -1.315 -20.078 8.971 1.00 2.01 O1- ATOM 941 OD2 ASP A 57 -0.365 -18.283 8.133 1.00 34.13 O ATOM 0 H ASP A 57 -0.863 -20.056 6.048 1.00 31.32 H new ATOM 0 HA ASP A 57 1.913 -21.025 6.409 1.00 71.22 H new ATOM 0 HB2 ASP A 57 1.027 -21.061 8.924 1.00 63.23 H new ATOM 0 HB3 ASP A 57 1.778 -19.634 8.238 1.00 63.23 H new ATOM 946 N ASP A 58 1.067 -23.338 6.435 1.00 42.15 N ATOM 947 CA ASP A 58 0.619 -24.726 6.471 1.00 13.22 C ATOM 948 C ASP A 58 1.808 -25.681 6.473 1.00 50.02 C ATOM 949 O ASP A 58 2.943 -25.275 6.228 1.00 32.03 O ATOM 950 CB ASP A 58 -0.287 -25.021 5.275 1.00 32.33 C ATOM 951 CG ASP A 58 -1.204 -23.861 4.942 1.00 34.24 C ATOM 952 OD1 ASP A 58 -2.301 -23.784 5.534 1.00 21.22 O1- ATOM 953 OD2 ASP A 58 -0.827 -23.031 4.088 1.00 62.33 O ATOM 0 H ASP A 58 2.002 -23.207 6.050 1.00 42.15 H new ATOM 0 HA ASP A 58 0.054 -24.877 7.391 1.00 13.22 H new ATOM 0 HB2 ASP A 58 0.328 -25.255 4.406 1.00 32.33 H new ATOM 0 HB3 ASP A 58 -0.888 -25.905 5.488 1.00 32.33 H new ATOM 958 N ALA A 59 1.539 -26.952 6.753 1.00 54.42 N ATOM 959 CA ALA A 59 2.586 -27.965 6.786 1.00 64.04 C ATOM 960 C ALA A 59 3.452 -27.901 5.533 1.00 23.53 C ATOM 961 O ALA A 59 3.027 -27.389 4.498 1.00 64.14 O ATOM 962 CB ALA A 59 1.975 -29.351 6.937 1.00 20.01 C ATOM 0 H ALA A 59 0.605 -27.304 6.960 1.00 54.42 H new ATOM 0 HA ALA A 59 3.224 -27.765 7.647 1.00 64.04 H new ATOM 0 HB1 ALA A 59 2.769 -30.098 6.960 1.00 20.01 H new ATOM 0 HB2 ALA A 59 1.405 -29.398 7.865 1.00 20.01 H new ATOM 0 HB3 ALA A 59 1.313 -29.551 6.094 1.00 20.01 H new ATOM 968 N ALA A 60 4.670 -28.422 5.634 1.00 25.42 N ATOM 969 CA ALA A 60 5.596 -28.425 4.509 1.00 52.24 C ATOM 970 C ALA A 60 6.786 -29.339 4.778 1.00 52.10 C ATOM 971 O ALA A 60 7.300 -29.390 5.895 1.00 32.51 O ATOM 972 CB ALA A 60 6.072 -27.009 4.213 1.00 60.25 C ATOM 0 H ALA A 60 5.039 -28.848 6.484 1.00 25.42 H new ATOM 0 HA ALA A 60 5.067 -28.809 3.637 1.00 52.24 H new ATOM 0 HB1 ALA A 60 6.763 -27.026 3.370 1.00 60.25 H new ATOM 0 HB2 ALA A 60 5.216 -26.381 3.967 1.00 60.25 H new ATOM 0 HB3 ALA A 60 6.578 -26.605 5.089 1.00 60.25 H new ATOM 978 N GLU A 61 7.218 -30.060 3.748 1.00 12.15 N ATOM 979 CA GLU A 61 8.347 -30.974 3.877 1.00 60.24 C ATOM 980 C GLU A 61 9.629 -30.213 4.203 1.00 60.45 C ATOM 981 O GLU A 61 10.622 -30.803 4.629 1.00 34.32 O ATOM 982 CB GLU A 61 8.531 -31.776 2.586 1.00 40.01 C ATOM 983 CG GLU A 61 8.760 -33.260 2.820 1.00 60.43 C ATOM 984 CD GLU A 61 9.708 -33.871 1.806 1.00 63.55 C ATOM 985 OE1 GLU A 61 9.240 -34.268 0.718 1.00 4.32 O1- ATOM 986 OE2 GLU A 61 10.919 -33.952 2.101 1.00 10.35 O ATOM 0 H GLU A 61 6.804 -30.029 2.816 1.00 12.15 H new ATOM 0 HA GLU A 61 8.135 -31.661 4.697 1.00 60.24 H new ATOM 0 HB2 GLU A 61 7.649 -31.647 1.959 1.00 40.01 H new ATOM 0 HB3 GLU A 61 9.377 -31.369 2.033 1.00 40.01 H new ATOM 0 HG2 GLU A 61 9.161 -33.408 3.822 1.00 60.43 H new ATOM 0 HG3 GLU A 61 7.804 -33.782 2.779 1.00 60.43 H new ATOM 993 N ALA A 62 9.598 -28.900 4.000 1.00 4.02 N ATOM 994 CA ALA A 62 10.756 -28.058 4.274 1.00 60.23 C ATOM 995 C ALA A 62 10.328 -26.673 4.745 1.00 52.32 C ATOM 996 O ALA A 62 9.563 -25.984 4.067 1.00 12.21 O ATOM 997 CB ALA A 62 11.635 -27.949 3.036 1.00 14.02 C ATOM 0 H ALA A 62 8.784 -28.397 3.647 1.00 4.02 H new ATOM 0 HA ALA A 62 11.331 -28.523 5.074 1.00 60.23 H new ATOM 0 HB1 ALA A 62 12.496 -27.317 3.255 1.00 14.02 H new ATOM 0 HB2 ALA A 62 11.978 -28.942 2.745 1.00 14.02 H new ATOM 0 HB3 ALA A 62 11.061 -27.510 2.220 1.00 14.02 H new ATOM 1003 N THR A 63 10.825 -26.268 5.909 1.00 64.23 N ATOM 1004 CA THR A 63 10.492 -24.965 6.471 1.00 11.41 C ATOM 1005 C THR A 63 11.624 -23.966 6.253 1.00 73.24 C ATOM 1006 O THR A 63 12.784 -24.254 6.552 1.00 53.04 O ATOM 1007 CB THR A 63 10.192 -25.063 7.979 1.00 31.34 C ATOM 1008 OG1 THR A 63 9.033 -25.875 8.196 1.00 62.11 O ATOM 1009 CG2 THR A 63 9.971 -23.682 8.578 1.00 45.10 C ATOM 0 H THR A 63 11.460 -26.824 6.481 1.00 64.23 H new ATOM 0 HA THR A 63 9.599 -24.617 5.953 1.00 11.41 H new ATOM 0 HB THR A 63 11.052 -25.520 8.469 1.00 31.34 H new ATOM 0 HG1 THR A 63 8.850 -25.934 9.157 1.00 62.11 H new ATOM 0 HG21 THR A 63 9.761 -23.777 9.643 1.00 45.10 H new ATOM 0 HG22 THR A 63 10.867 -23.077 8.437 1.00 45.10 H new ATOM 0 HG23 THR A 63 9.127 -23.202 8.083 1.00 45.10 H new ATOM 1017 N LEU A 64 11.279 -22.795 5.732 1.00 31.21 N ATOM 1018 CA LEU A 64 12.268 -21.753 5.475 1.00 23.22 C ATOM 1019 C LEU A 64 11.864 -20.442 6.142 1.00 10.31 C ATOM 1020 O LEU A 64 10.704 -20.031 6.079 1.00 34.35 O ATOM 1021 CB LEU A 64 12.435 -21.541 3.969 1.00 42.20 C ATOM 1022 CG LEU A 64 13.335 -22.543 3.245 1.00 33.54 C ATOM 1023 CD1 LEU A 64 12.577 -23.222 2.115 1.00 24.14 C ATOM 1024 CD2 LEU A 64 14.583 -21.853 2.715 1.00 33.52 C ATOM 0 H LEU A 64 10.324 -22.542 5.479 1.00 31.21 H new ATOM 0 HA LEU A 64 13.219 -22.077 5.898 1.00 23.22 H new ATOM 0 HB2 LEU A 64 11.448 -21.570 3.507 1.00 42.20 H new ATOM 0 HB3 LEU A 64 12.835 -20.540 3.806 1.00 42.20 H new ATOM 0 HG LEU A 64 13.643 -23.308 3.958 1.00 33.54 H new ATOM 0 HD11 LEU A 64 13.234 -23.931 1.611 1.00 24.14 H new ATOM 0 HD12 LEU A 64 11.715 -23.751 2.521 1.00 24.14 H new ATOM 0 HD13 LEU A 64 12.239 -22.471 1.401 1.00 24.14 H new ATOM 0 HD21 LEU A 64 15.212 -22.581 2.203 1.00 33.52 H new ATOM 0 HD22 LEU A 64 14.295 -21.067 2.017 1.00 33.52 H new ATOM 0 HD23 LEU A 64 15.137 -21.416 3.545 1.00 33.52 H new ATOM 1036 N THR A 65 12.828 -19.787 6.781 1.00 71.33 N ATOM 1037 CA THR A 65 12.573 -18.523 7.460 1.00 73.12 C ATOM 1038 C THR A 65 13.570 -17.455 7.024 1.00 14.11 C ATOM 1039 O THR A 65 14.778 -17.689 7.010 1.00 44.01 O ATOM 1040 CB THR A 65 12.644 -18.682 8.990 1.00 74.44 C ATOM 1041 OG1 THR A 65 12.115 -19.955 9.375 1.00 70.01 O ATOM 1042 CG2 THR A 65 11.870 -17.574 9.686 1.00 42.34 C ATOM 0 H THR A 65 13.793 -20.111 6.842 1.00 71.33 H new ATOM 0 HA THR A 65 11.566 -18.212 7.182 1.00 73.12 H new ATOM 0 HB THR A 65 13.689 -18.617 9.292 1.00 74.44 H new ATOM 0 HG1 THR A 65 12.852 -20.569 9.575 1.00 70.01 H new ATOM 0 HG21 THR A 65 11.935 -17.708 10.766 1.00 42.34 H new ATOM 0 HG22 THR A 65 12.294 -16.608 9.414 1.00 42.34 H new ATOM 0 HG23 THR A 65 10.825 -17.611 9.378 1.00 42.34 H new ATOM 1050 N MET A 66 13.056 -16.282 6.670 1.00 44.23 N ATOM 1051 CA MET A 66 13.903 -15.176 6.235 1.00 35.33 C ATOM 1052 C MET A 66 13.193 -13.840 6.427 1.00 74.32 C ATOM 1053 O MET A 66 11.971 -13.754 6.307 1.00 1.23 O ATOM 1054 CB MET A 66 14.295 -15.353 4.767 1.00 73.33 C ATOM 1055 CG MET A 66 15.378 -16.397 4.549 1.00 31.14 C ATOM 1056 SD MET A 66 15.950 -16.458 2.841 1.00 74.11 S ATOM 1057 CE MET A 66 16.484 -18.164 2.723 1.00 64.32 C ATOM 0 H MET A 66 12.058 -16.072 6.676 1.00 44.23 H new ATOM 0 HA MET A 66 14.805 -15.179 6.847 1.00 35.33 H new ATOM 0 HB2 MET A 66 13.411 -15.634 4.195 1.00 73.33 H new ATOM 0 HB3 MET A 66 14.639 -14.397 4.373 1.00 73.33 H new ATOM 0 HG2 MET A 66 16.223 -16.181 5.203 1.00 31.14 H new ATOM 0 HG3 MET A 66 14.996 -17.377 4.835 1.00 31.14 H new ATOM 0 HE1 MET A 66 17.388 -18.221 2.116 1.00 64.32 H new ATOM 0 HE2 MET A 66 16.692 -18.550 3.721 1.00 64.32 H new ATOM 0 HE3 MET A 66 15.698 -18.760 2.260 1.00 64.32 H new ATOM 1067 N GLU A 67 13.967 -12.801 6.723 1.00 74.44 N ATOM 1068 CA GLU A 67 13.410 -11.469 6.932 1.00 65.21 C ATOM 1069 C GLU A 67 13.242 -10.736 5.605 1.00 21.25 C ATOM 1070 O GLU A 67 13.828 -11.120 4.592 1.00 71.54 O ATOM 1071 CB GLU A 67 14.308 -10.657 7.867 1.00 61.44 C ATOM 1072 CG GLU A 67 14.440 -11.256 9.257 1.00 20.41 C ATOM 1073 CD GLU A 67 15.582 -10.649 10.048 1.00 50.14 C ATOM 1074 OE1 GLU A 67 15.445 -9.493 10.499 1.00 14.41 O1- ATOM 1075 OE2 GLU A 67 16.615 -11.332 10.216 1.00 70.53 O ATOM 0 H GLU A 67 14.981 -12.855 6.824 1.00 74.44 H new ATOM 0 HA GLU A 67 12.428 -11.581 7.392 1.00 65.21 H new ATOM 0 HB2 GLU A 67 15.299 -10.572 7.422 1.00 61.44 H new ATOM 0 HB3 GLU A 67 13.909 -9.646 7.953 1.00 61.44 H new ATOM 0 HG2 GLU A 67 13.507 -11.109 9.802 1.00 20.41 H new ATOM 0 HG3 GLU A 67 14.593 -12.332 9.172 1.00 20.41 H new ATOM 1082 N ASP A 68 12.439 -9.678 5.618 1.00 21.12 N ATOM 1083 CA ASP A 68 12.194 -8.889 4.416 1.00 71.10 C ATOM 1084 C ASP A 68 13.507 -8.515 3.735 1.00 24.42 C ATOM 1085 O ASP A 68 13.730 -8.845 2.570 1.00 74.24 O ATOM 1086 CB ASP A 68 11.406 -7.624 4.762 1.00 64.02 C ATOM 1087 CG ASP A 68 10.201 -7.430 3.863 1.00 31.40 C ATOM 1088 OD1 ASP A 68 9.588 -8.442 3.463 1.00 12.13 O ATOM 1089 OD2 ASP A 68 9.870 -6.264 3.560 1.00 75.34 O1- ATOM 0 H ASP A 68 11.947 -9.347 6.448 1.00 21.12 H new ATOM 0 HA ASP A 68 11.607 -9.496 3.726 1.00 71.10 H new ATOM 0 HB2 ASP A 68 11.077 -7.677 5.800 1.00 64.02 H new ATOM 0 HB3 ASP A 68 12.061 -6.757 4.679 1.00 64.02 H new ATOM 1094 N ASP A 69 14.371 -7.822 4.468 1.00 45.41 N ATOM 1095 CA ASP A 69 15.662 -7.402 3.935 1.00 14.54 C ATOM 1096 C ASP A 69 16.412 -8.586 3.332 1.00 22.43 C ATOM 1097 O ASP A 69 17.033 -8.466 2.276 1.00 53.21 O ATOM 1098 CB ASP A 69 16.507 -6.756 5.035 1.00 1.15 C ATOM 1099 CG ASP A 69 17.358 -5.615 4.515 1.00 54.42 C ATOM 1100 OD1 ASP A 69 17.446 -5.456 3.280 1.00 30.41 O1- ATOM 1101 OD2 ASP A 69 17.937 -4.881 5.344 1.00 74.02 O ATOM 0 H ASP A 69 14.201 -7.539 5.433 1.00 45.41 H new ATOM 0 HA ASP A 69 15.481 -6.669 3.148 1.00 14.54 H new ATOM 0 HB2 ASP A 69 15.851 -6.386 5.823 1.00 1.15 H new ATOM 0 HB3 ASP A 69 17.152 -7.511 5.485 1.00 1.15 H new ATOM 1106 N ILE A 70 16.349 -9.727 4.009 1.00 1.14 N ATOM 1107 CA ILE A 70 17.022 -10.932 3.540 1.00 43.35 C ATOM 1108 C ILE A 70 16.525 -11.334 2.155 1.00 31.44 C ATOM 1109 O ILE A 70 17.302 -11.780 1.312 1.00 24.31 O ATOM 1110 CB ILE A 70 16.812 -12.109 4.510 1.00 13.31 C ATOM 1111 CG1 ILE A 70 17.667 -11.921 5.766 1.00 2.20 C ATOM 1112 CG2 ILE A 70 17.148 -13.426 3.826 1.00 11.14 C ATOM 1113 CD1 ILE A 70 19.151 -11.867 5.484 1.00 73.31 C ATOM 0 H ILE A 70 15.839 -9.843 4.885 1.00 1.14 H new ATOM 0 HA ILE A 70 18.086 -10.700 3.490 1.00 43.35 H new ATOM 0 HB ILE A 70 15.763 -12.134 4.807 1.00 13.31 H new ATOM 0 HG12 ILE A 70 17.367 -11.000 6.266 1.00 2.20 H new ATOM 0 HG13 ILE A 70 17.466 -12.739 6.458 1.00 2.20 H new ATOM 0 HG21 ILE A 70 16.995 -14.248 4.525 1.00 11.14 H new ATOM 0 HG22 ILE A 70 16.501 -13.561 2.959 1.00 11.14 H new ATOM 0 HG23 ILE A 70 18.189 -13.413 3.504 1.00 11.14 H new ATOM 0 HD11 ILE A 70 19.694 -11.732 6.419 1.00 73.31 H new ATOM 0 HD12 ILE A 70 19.466 -12.798 5.012 1.00 73.31 H new ATOM 0 HD13 ILE A 70 19.364 -11.032 4.817 1.00 73.31 H new ATOM 1125 N MET A 71 15.226 -11.172 1.929 1.00 71.51 N ATOM 1126 CA MET A 71 14.626 -11.516 0.644 1.00 43.30 C ATOM 1127 C MET A 71 15.272 -10.723 -0.487 1.00 65.43 C ATOM 1128 O MET A 71 15.556 -11.267 -1.555 1.00 75.00 O ATOM 1129 CB MET A 71 13.120 -11.250 0.674 1.00 72.31 C ATOM 1130 CG MET A 71 12.276 -12.502 0.495 1.00 1.33 C ATOM 1131 SD MET A 71 12.619 -13.753 1.746 1.00 74.13 S ATOM 1132 CE MET A 71 13.095 -15.141 0.717 1.00 31.24 C ATOM 0 H MET A 71 14.569 -10.805 2.617 1.00 71.51 H new ATOM 0 HA MET A 71 14.797 -12.577 0.463 1.00 43.30 H new ATOM 0 HB2 MET A 71 12.861 -10.781 1.623 1.00 72.31 H new ATOM 0 HB3 MET A 71 12.870 -10.538 -0.112 1.00 72.31 H new ATOM 0 HG2 MET A 71 11.220 -12.233 0.535 1.00 1.33 H new ATOM 0 HG3 MET A 71 12.461 -12.922 -0.494 1.00 1.33 H new ATOM 0 HE1 MET A 71 13.679 -15.847 1.307 1.00 31.24 H new ATOM 0 HE2 MET A 71 12.201 -15.637 0.338 1.00 31.24 H new ATOM 0 HE3 MET A 71 13.694 -14.784 -0.121 1.00 31.24 H new ATOM 1142 N PHE A 72 15.501 -9.437 -0.247 1.00 41.54 N ATOM 1143 CA PHE A 72 16.113 -8.570 -1.247 1.00 22.30 C ATOM 1144 C PHE A 72 17.589 -8.911 -1.434 1.00 43.01 C ATOM 1145 O PHE A 72 18.143 -8.743 -2.519 1.00 63.32 O ATOM 1146 CB PHE A 72 15.967 -7.102 -0.839 1.00 44.00 C ATOM 1147 CG PHE A 72 16.735 -6.156 -1.717 1.00 52.50 C ATOM 1148 CD1 PHE A 72 16.239 -5.782 -2.955 1.00 2.12 C ATOM 1149 CD2 PHE A 72 17.953 -5.642 -1.304 1.00 61.23 C ATOM 1150 CE1 PHE A 72 16.943 -4.911 -3.766 1.00 51.42 C ATOM 1151 CE2 PHE A 72 18.662 -4.770 -2.109 1.00 44.43 C ATOM 1152 CZ PHE A 72 18.157 -4.405 -3.341 1.00 61.11 C ATOM 0 H PHE A 72 15.272 -8.972 0.631 1.00 41.54 H new ATOM 0 HA PHE A 72 15.597 -8.731 -2.194 1.00 22.30 H new ATOM 0 HB2 PHE A 72 14.912 -6.830 -0.862 1.00 44.00 H new ATOM 0 HB3 PHE A 72 16.304 -6.984 0.191 1.00 44.00 H new ATOM 0 HD1 PHE A 72 15.291 -6.175 -3.291 1.00 2.12 H new ATOM 0 HD2 PHE A 72 18.353 -5.926 -0.342 1.00 61.23 H new ATOM 0 HE1 PHE A 72 16.545 -4.627 -4.729 1.00 51.42 H new ATOM 0 HE2 PHE A 72 19.610 -4.375 -1.775 1.00 44.43 H new ATOM 0 HZ PHE A 72 18.710 -3.725 -3.972 1.00 61.11 H new ATOM 1162 N ALA A 73 18.219 -9.393 -0.367 1.00 72.11 N ATOM 1163 CA ALA A 73 19.629 -9.759 -0.413 1.00 15.10 C ATOM 1164 C ALA A 73 19.827 -11.085 -1.141 1.00 3.03 C ATOM 1165 O ALA A 73 20.530 -11.150 -2.150 1.00 20.54 O ATOM 1166 CB ALA A 73 20.200 -9.839 0.995 1.00 40.23 C ATOM 0 H ALA A 73 17.775 -9.539 0.539 1.00 72.11 H new ATOM 0 HA ALA A 73 20.162 -8.986 -0.966 1.00 15.10 H new ATOM 0 HB1 ALA A 73 21.254 -10.113 0.945 1.00 40.23 H new ATOM 0 HB2 ALA A 73 20.100 -8.870 1.484 1.00 40.23 H new ATOM 0 HB3 ALA A 73 19.656 -10.591 1.566 1.00 40.23 H new ATOM 1172 N ILE A 74 19.204 -12.138 -0.624 1.00 62.02 N ATOM 1173 CA ILE A 74 19.312 -13.461 -1.226 1.00 2.11 C ATOM 1174 C ILE A 74 18.538 -13.534 -2.538 1.00 5.14 C ATOM 1175 O ILE A 74 19.022 -14.080 -3.528 1.00 43.34 O ATOM 1176 CB ILE A 74 18.793 -14.557 -0.276 1.00 11.55 C ATOM 1177 CG1 ILE A 74 19.717 -14.689 0.937 1.00 44.31 C ATOM 1178 CG2 ILE A 74 18.680 -15.884 -1.010 1.00 21.22 C ATOM 1179 CD1 ILE A 74 19.217 -15.671 1.973 1.00 30.22 C ATOM 0 H ILE A 74 18.619 -12.101 0.211 1.00 62.02 H new ATOM 0 HA ILE A 74 20.371 -13.632 -1.421 1.00 2.11 H new ATOM 0 HB ILE A 74 17.801 -14.274 0.075 1.00 11.55 H new ATOM 0 HG12 ILE A 74 20.705 -15.002 0.599 1.00 44.31 H new ATOM 0 HG13 ILE A 74 19.834 -13.710 1.402 1.00 44.31 H new ATOM 0 HG21 ILE A 74 18.312 -16.648 -0.325 1.00 21.22 H new ATOM 0 HG22 ILE A 74 17.987 -15.780 -1.845 1.00 21.22 H new ATOM 0 HG23 ILE A 74 19.660 -16.176 -1.387 1.00 21.22 H new ATOM 0 HD11 ILE A 74 19.921 -15.713 2.804 1.00 30.22 H new ATOM 0 HD12 ILE A 74 18.242 -15.349 2.339 1.00 30.22 H new ATOM 0 HD13 ILE A 74 19.127 -16.660 1.523 1.00 30.22 H new ATOM 1191 N GLY A 75 17.331 -12.976 -2.538 1.00 3.13 N ATOM 1192 CA GLY A 75 16.509 -12.986 -3.734 1.00 32.31 C ATOM 1193 C GLY A 75 17.241 -12.441 -4.945 1.00 1.25 C ATOM 1194 O GLY A 75 17.118 -12.976 -6.047 1.00 54.01 O ATOM 0 H GLY A 75 16.908 -12.517 -1.731 1.00 3.13 H new ATOM 0 HA2 GLY A 75 16.183 -14.006 -3.939 1.00 32.31 H new ATOM 0 HA3 GLY A 75 15.611 -12.394 -3.559 1.00 32.31 H new ATOM 1198 N THR A 76 18.003 -11.370 -4.742 1.00 53.52 N ATOM 1199 CA THR A 76 18.754 -10.750 -5.825 1.00 44.22 C ATOM 1200 C THR A 76 20.140 -11.369 -5.957 1.00 51.23 C ATOM 1201 O THR A 76 20.948 -10.938 -6.779 1.00 5.23 O ATOM 1202 CB THR A 76 18.899 -9.232 -5.611 1.00 62.11 C ATOM 1203 OG1 THR A 76 19.781 -8.975 -4.511 1.00 43.24 O ATOM 1204 CG2 THR A 76 17.546 -8.590 -5.343 1.00 74.33 C ATOM 0 H THR A 76 18.116 -10.914 -3.836 1.00 53.52 H new ATOM 0 HA THR A 76 18.192 -10.927 -6.742 1.00 44.22 H new ATOM 0 HB THR A 76 19.315 -8.798 -6.520 1.00 62.11 H new ATOM 0 HG1 THR A 76 19.273 -8.589 -3.767 1.00 43.24 H new ATOM 0 HG21 THR A 76 17.675 -7.518 -5.195 1.00 74.33 H new ATOM 0 HG22 THR A 76 16.887 -8.762 -6.194 1.00 74.33 H new ATOM 0 HG23 THR A 76 17.106 -9.029 -4.448 1.00 74.33 H new ATOM 1212 N GLY A 77 20.411 -12.383 -5.141 1.00 1.41 N ATOM 1213 CA GLY A 77 21.702 -13.046 -5.184 1.00 40.44 C ATOM 1214 C GLY A 77 22.844 -12.113 -4.829 1.00 21.42 C ATOM 1215 O GLY A 77 23.979 -12.319 -5.258 1.00 72.34 O ATOM 0 H GLY A 77 19.760 -12.757 -4.451 1.00 1.41 H new ATOM 0 HA2 GLY A 77 21.697 -13.889 -4.493 1.00 40.44 H new ATOM 0 HA3 GLY A 77 21.865 -13.452 -6.182 1.00 40.44 H new ATOM 1219 N ALA A 78 22.543 -11.083 -4.045 1.00 14.03 N ATOM 1220 CA ALA A 78 23.553 -10.116 -3.633 1.00 4.53 C ATOM 1221 C ALA A 78 24.549 -10.742 -2.664 1.00 51.42 C ATOM 1222 O ALA A 78 25.752 -10.492 -2.747 1.00 12.13 O ATOM 1223 CB ALA A 78 22.892 -8.899 -3.002 1.00 15.31 C ATOM 0 H ALA A 78 21.608 -10.897 -3.682 1.00 14.03 H new ATOM 0 HA ALA A 78 24.101 -9.799 -4.520 1.00 4.53 H new ATOM 0 HB1 ALA A 78 23.658 -8.185 -2.699 1.00 15.31 H new ATOM 0 HB2 ALA A 78 22.225 -8.431 -3.726 1.00 15.31 H new ATOM 0 HB3 ALA A 78 22.319 -9.209 -2.128 1.00 15.31 H new ATOM 1229 N LEU A 79 24.041 -11.555 -1.745 1.00 34.13 N ATOM 1230 CA LEU A 79 24.888 -12.218 -0.758 1.00 54.32 C ATOM 1231 C LEU A 79 24.653 -13.725 -0.763 1.00 62.35 C ATOM 1232 O LEU A 79 23.615 -14.215 -1.206 1.00 75.14 O ATOM 1233 CB LEU A 79 24.616 -11.652 0.637 1.00 45.25 C ATOM 1234 CG LEU A 79 23.155 -11.334 0.959 1.00 22.42 C ATOM 1235 CD1 LEU A 79 22.340 -12.614 1.059 1.00 41.33 C ATOM 1236 CD2 LEU A 79 23.056 -10.534 2.251 1.00 23.31 C ATOM 0 H LEU A 79 23.048 -11.771 -1.662 1.00 34.13 H new ATOM 0 HA LEU A 79 25.929 -12.031 -1.023 1.00 54.32 H new ATOM 0 HB2 LEU A 79 24.983 -12.366 1.375 1.00 45.25 H new ATOM 0 HB3 LEU A 79 25.201 -10.740 0.758 1.00 45.25 H new ATOM 0 HG LEU A 79 22.747 -10.730 0.149 1.00 22.42 H new ATOM 0 HD11 LEU A 79 21.303 -12.368 1.289 1.00 41.33 H new ATOM 0 HD12 LEU A 79 22.385 -13.149 0.110 1.00 41.33 H new ATOM 0 HD13 LEU A 79 22.747 -13.244 1.850 1.00 41.33 H new ATOM 0 HD21 LEU A 79 22.010 -10.316 2.465 1.00 23.31 H new ATOM 0 HD22 LEU A 79 23.481 -11.113 3.071 1.00 23.31 H new ATOM 0 HD23 LEU A 79 23.606 -9.599 2.143 1.00 23.31 H new ATOM 1248 N PRO A 80 25.640 -14.479 -0.256 1.00 14.00 N ATOM 1249 CA PRO A 80 25.563 -15.941 -0.187 1.00 41.14 C ATOM 1250 C PRO A 80 24.538 -16.421 0.834 1.00 21.40 C ATOM 1251 O PRO A 80 24.588 -16.040 2.004 1.00 0.41 O ATOM 1252 CB PRO A 80 26.975 -16.351 0.238 1.00 72.45 C ATOM 1253 CG PRO A 80 27.512 -15.165 0.960 1.00 25.51 C ATOM 1254 CD PRO A 80 26.905 -13.962 0.291 1.00 63.44 C ATOM 0 HA PRO A 80 25.245 -16.377 -1.134 1.00 41.14 H new ATOM 0 HB2 PRO A 80 26.955 -17.231 0.881 1.00 72.45 H new ATOM 0 HB3 PRO A 80 27.591 -16.601 -0.625 1.00 72.45 H new ATOM 0 HG2 PRO A 80 27.247 -15.199 2.017 1.00 25.51 H new ATOM 0 HG3 PRO A 80 28.600 -15.134 0.905 1.00 25.51 H new ATOM 0 HD2 PRO A 80 26.735 -13.151 0.999 1.00 63.44 H new ATOM 0 HD3 PRO A 80 27.552 -13.569 -0.494 1.00 63.44 H new ATOM 1262 N ALA A 81 23.610 -17.260 0.385 1.00 32.45 N ATOM 1263 CA ALA A 81 22.575 -17.794 1.262 1.00 0.14 C ATOM 1264 C ALA A 81 23.181 -18.657 2.364 1.00 23.15 C ATOM 1265 O ALA A 81 22.607 -18.793 3.445 1.00 35.22 O ATOM 1266 CB ALA A 81 21.564 -18.596 0.457 1.00 1.12 C ATOM 0 H ALA A 81 23.554 -17.584 -0.580 1.00 32.45 H new ATOM 0 HA ALA A 81 22.064 -16.955 1.734 1.00 0.14 H new ATOM 0 HB1 ALA A 81 20.797 -18.989 1.124 1.00 1.12 H new ATOM 0 HB2 ALA A 81 21.100 -17.952 -0.290 1.00 1.12 H new ATOM 0 HB3 ALA A 81 22.070 -19.423 -0.041 1.00 1.12 H new ATOM 1272 N LYS A 82 24.341 -19.238 2.083 1.00 52.31 N ATOM 1273 CA LYS A 82 25.025 -20.088 3.051 1.00 64.02 C ATOM 1274 C LYS A 82 25.595 -19.258 4.197 1.00 31.13 C ATOM 1275 O LYS A 82 25.292 -19.504 5.364 1.00 60.00 O ATOM 1276 CB LYS A 82 26.148 -20.872 2.369 1.00 15.40 C ATOM 1277 CG LYS A 82 25.725 -22.249 1.891 1.00 55.43 C ATOM 1278 CD LYS A 82 26.911 -23.193 1.785 1.00 25.31 C ATOM 1279 CE LYS A 82 26.535 -24.610 2.188 1.00 43.03 C ATOM 1280 NZ LYS A 82 27.700 -25.360 2.733 1.00 1.31 N1+ ATOM 0 H LYS A 82 24.828 -19.136 1.193 1.00 52.31 H new ATOM 0 HA LYS A 82 24.297 -20.789 3.459 1.00 64.02 H new ATOM 0 HB2 LYS A 82 26.515 -20.298 1.518 1.00 15.40 H new ATOM 0 HB3 LYS A 82 26.980 -20.978 3.065 1.00 15.40 H new ATOM 0 HG2 LYS A 82 24.989 -22.664 2.580 1.00 55.43 H new ATOM 0 HG3 LYS A 82 25.239 -22.164 0.919 1.00 55.43 H new ATOM 0 HD2 LYS A 82 27.287 -23.193 0.762 1.00 25.31 H new ATOM 0 HD3 LYS A 82 27.720 -22.835 2.422 1.00 25.31 H new ATOM 0 HE2 LYS A 82 25.743 -24.577 2.936 1.00 43.03 H new ATOM 0 HE3 LYS A 82 26.135 -25.139 1.323 1.00 43.03 H new ATOM 0 HZ1 LYS A 82 27.402 -26.321 2.996 1.00 1.31 H new ATOM 0 HZ2 LYS A 82 28.446 -25.414 2.011 1.00 1.31 H new ATOM 0 HZ3 LYS A 82 28.066 -24.869 3.573 1.00 1.31 H new ATOM 1294 N GLU A 83 26.421 -18.273 3.856 1.00 54.33 N ATOM 1295 CA GLU A 83 27.032 -17.407 4.857 1.00 72.13 C ATOM 1296 C GLU A 83 25.966 -16.717 5.703 1.00 22.30 C ATOM 1297 O GLU A 83 26.096 -16.613 6.922 1.00 41.13 O ATOM 1298 CB GLU A 83 27.921 -16.360 4.184 1.00 33.31 C ATOM 1299 CG GLU A 83 29.153 -15.994 4.996 1.00 73.20 C ATOM 1300 CD GLU A 83 30.414 -15.952 4.155 1.00 31.14 C ATOM 1301 OE1 GLU A 83 30.713 -14.881 3.586 1.00 42.32 O1- ATOM 1302 OE2 GLU A 83 31.103 -16.990 4.069 1.00 4.11 O ATOM 0 H GLU A 83 26.682 -18.055 2.894 1.00 54.33 H new ATOM 0 HA GLU A 83 27.645 -18.027 5.511 1.00 72.13 H new ATOM 0 HB2 GLU A 83 28.236 -16.735 3.210 1.00 33.31 H new ATOM 0 HB3 GLU A 83 27.334 -15.459 4.004 1.00 33.31 H new ATOM 0 HG2 GLU A 83 29.000 -15.021 5.463 1.00 73.20 H new ATOM 0 HG3 GLU A 83 29.281 -16.718 5.801 1.00 73.20 H new ATOM 1309 N ALA A 84 24.911 -16.247 5.045 1.00 31.35 N ATOM 1310 CA ALA A 84 23.820 -15.568 5.735 1.00 33.22 C ATOM 1311 C ALA A 84 23.311 -16.399 6.909 1.00 0.53 C ATOM 1312 O ALA A 84 23.197 -15.903 8.029 1.00 54.02 O ATOM 1313 CB ALA A 84 22.686 -15.270 4.767 1.00 63.32 C ATOM 0 H ALA A 84 24.789 -16.324 4.035 1.00 31.35 H new ATOM 0 HA ALA A 84 24.203 -14.627 6.128 1.00 33.22 H new ATOM 0 HB1 ALA A 84 21.879 -14.763 5.297 1.00 63.32 H new ATOM 0 HB2 ALA A 84 23.052 -14.630 3.964 1.00 63.32 H new ATOM 0 HB3 ALA A 84 22.313 -16.203 4.345 1.00 63.32 H new ATOM 1319 N MET A 85 23.006 -17.664 6.643 1.00 15.31 N ATOM 1320 CA MET A 85 22.510 -18.564 7.677 1.00 72.33 C ATOM 1321 C MET A 85 23.643 -19.023 8.588 1.00 13.11 C ATOM 1322 O MET A 85 23.421 -19.354 9.753 1.00 65.35 O ATOM 1323 CB MET A 85 21.825 -19.777 7.043 1.00 14.13 C ATOM 1324 CG MET A 85 20.458 -19.466 6.458 1.00 2.33 C ATOM 1325 SD MET A 85 19.971 -20.635 5.173 1.00 30.31 S ATOM 1326 CE MET A 85 19.821 -19.543 3.761 1.00 34.22 C ATOM 0 H MET A 85 23.094 -18.089 5.720 1.00 15.31 H new ATOM 0 HA MET A 85 21.783 -18.019 8.279 1.00 72.33 H new ATOM 0 HB2 MET A 85 22.466 -20.176 6.256 1.00 14.13 H new ATOM 0 HB3 MET A 85 21.720 -20.559 7.795 1.00 14.13 H new ATOM 0 HG2 MET A 85 19.715 -19.477 7.255 1.00 2.33 H new ATOM 0 HG3 MET A 85 20.465 -18.458 6.043 1.00 2.33 H new ATOM 0 HE1 MET A 85 18.774 -19.472 3.466 1.00 34.22 H new ATOM 0 HE2 MET A 85 20.192 -18.553 4.026 1.00 34.22 H new ATOM 0 HE3 MET A 85 20.406 -19.939 2.931 1.00 34.22 H new ATOM 1336 N ALA A 86 24.859 -19.043 8.050 1.00 22.40 N ATOM 1337 CA ALA A 86 26.026 -19.460 8.815 1.00 24.14 C ATOM 1338 C ALA A 86 26.226 -18.573 10.039 1.00 44.20 C ATOM 1339 O ALA A 86 26.704 -19.031 11.077 1.00 35.33 O ATOM 1340 CB ALA A 86 27.268 -19.438 7.937 1.00 41.43 C ATOM 0 H ALA A 86 25.060 -18.775 7.087 1.00 22.40 H new ATOM 0 HA ALA A 86 25.857 -20.480 9.161 1.00 24.14 H new ATOM 0 HB1 ALA A 86 28.133 -19.752 8.522 1.00 41.43 H new ATOM 0 HB2 ALA A 86 27.132 -20.119 7.097 1.00 41.43 H new ATOM 0 HB3 ALA A 86 27.431 -18.427 7.562 1.00 41.43 H new ATOM 1346 N GLN A 87 25.858 -17.302 9.910 1.00 21.33 N ATOM 1347 CA GLN A 87 25.999 -16.351 11.006 1.00 11.30 C ATOM 1348 C GLN A 87 24.744 -16.330 11.873 1.00 13.12 C ATOM 1349 O GLN A 87 24.419 -15.314 12.487 1.00 34.44 O ATOM 1350 CB GLN A 87 26.280 -14.950 10.461 1.00 62.44 C ATOM 1351 CG GLN A 87 27.670 -14.797 9.866 1.00 22.40 C ATOM 1352 CD GLN A 87 27.900 -13.423 9.268 1.00 42.41 C ATOM 1353 OE1 GLN A 87 26.952 -12.696 8.970 1.00 63.45 O ATOM 1354 NE2 GLN A 87 29.166 -13.059 9.090 1.00 23.23 N ATOM 0 H GLN A 87 25.460 -16.907 9.058 1.00 21.33 H new ATOM 0 HA GLN A 87 26.840 -16.668 11.623 1.00 11.30 H new ATOM 0 HB2 GLN A 87 25.539 -14.710 9.698 1.00 62.44 H new ATOM 0 HB3 GLN A 87 26.156 -14.225 11.265 1.00 62.44 H new ATOM 0 HG2 GLN A 87 28.415 -14.982 10.640 1.00 22.40 H new ATOM 0 HG3 GLN A 87 27.817 -15.554 9.095 1.00 22.40 H new ATOM 0 HE21 GLN A 87 29.921 -13.694 9.351 1.00 23.23 H new ATOM 0 HE22 GLN A 87 29.383 -12.145 8.692 1.00 23.23 H new ATOM 1363 N ASP A 88 24.042 -17.457 11.918 1.00 74.43 N ATOM 1364 CA ASP A 88 22.824 -17.568 12.710 1.00 30.11 C ATOM 1365 C ASP A 88 21.892 -16.391 12.442 1.00 61.34 C ATOM 1366 O ASP A 88 21.106 -15.997 13.305 1.00 12.20 O ATOM 1367 CB ASP A 88 23.163 -17.638 14.200 1.00 42.33 C ATOM 1368 CG ASP A 88 23.862 -18.930 14.576 1.00 10.02 C ATOM 1369 OD1 ASP A 88 23.166 -19.956 14.737 1.00 73.51 O ATOM 1370 OD2 ASP A 88 25.102 -18.916 14.707 1.00 1.01 O1- ATOM 0 H ASP A 88 24.296 -18.307 11.415 1.00 74.43 H new ATOM 0 HA ASP A 88 22.313 -18.486 12.419 1.00 30.11 H new ATOM 0 HB2 ASP A 88 23.800 -16.794 14.465 1.00 42.33 H new ATOM 0 HB3 ASP A 88 22.247 -17.541 14.783 1.00 42.33 H new ATOM 1375 N LYS A 89 21.985 -15.832 11.240 1.00 0.12 N ATOM 1376 CA LYS A 89 21.151 -14.699 10.857 1.00 50.20 C ATOM 1377 C LYS A 89 19.812 -15.172 10.300 1.00 23.34 C ATOM 1378 O LYS A 89 18.974 -14.364 9.903 1.00 54.12 O ATOM 1379 CB LYS A 89 21.872 -13.837 9.819 1.00 12.11 C ATOM 1380 CG LYS A 89 22.041 -12.387 10.242 1.00 1.11 C ATOM 1381 CD LYS A 89 21.074 -11.475 9.506 1.00 0.51 C ATOM 1382 CE LYS A 89 19.792 -11.267 10.299 1.00 23.00 C ATOM 1383 NZ LYS A 89 19.327 -9.854 10.239 1.00 64.21 N1+ ATOM 0 H LYS A 89 22.630 -16.145 10.514 1.00 0.12 H new ATOM 0 HA LYS A 89 20.962 -14.101 11.749 1.00 50.20 H new ATOM 0 HB2 LYS A 89 22.855 -14.266 9.622 1.00 12.11 H new ATOM 0 HB3 LYS A 89 21.316 -13.871 8.882 1.00 12.11 H new ATOM 0 HG2 LYS A 89 21.879 -12.299 11.316 1.00 1.11 H new ATOM 0 HG3 LYS A 89 23.065 -12.067 10.047 1.00 1.11 H new ATOM 0 HD2 LYS A 89 21.549 -10.512 9.321 1.00 0.51 H new ATOM 0 HD3 LYS A 89 20.836 -11.905 8.533 1.00 0.51 H new ATOM 0 HE2 LYS A 89 19.013 -11.923 9.909 1.00 23.00 H new ATOM 0 HE3 LYS A 89 19.957 -11.551 11.338 1.00 23.00 H new ATOM 0 HZ1 LYS A 89 18.287 -9.831 10.230 1.00 64.21 H new ATOM 0 HZ2 LYS A 89 19.678 -9.337 11.071 1.00 64.21 H new ATOM 0 HZ3 LYS A 89 19.691 -9.405 9.374 1.00 64.21 H new ATOM 1397 N MET A 90 19.619 -16.487 10.274 1.00 61.54 N ATOM 1398 CA MET A 90 18.381 -17.067 9.766 1.00 34.14 C ATOM 1399 C MET A 90 18.163 -18.466 10.335 1.00 23.11 C ATOM 1400 O MET A 90 19.121 -19.169 10.659 1.00 52.43 O ATOM 1401 CB MET A 90 18.407 -17.123 8.238 1.00 63.10 C ATOM 1402 CG MET A 90 17.842 -15.878 7.575 1.00 53.24 C ATOM 1403 SD MET A 90 19.022 -15.086 6.465 1.00 10.12 S ATOM 1404 CE MET A 90 19.058 -16.261 5.114 1.00 55.23 C ATOM 0 H MET A 90 20.303 -17.170 10.598 1.00 61.54 H new ATOM 0 HA MET A 90 17.554 -16.432 10.084 1.00 34.14 H new ATOM 0 HB2 MET A 90 19.435 -17.267 7.905 1.00 63.10 H new ATOM 0 HB3 MET A 90 17.839 -17.992 7.905 1.00 63.10 H new ATOM 0 HG2 MET A 90 16.945 -16.144 7.016 1.00 53.24 H new ATOM 0 HG3 MET A 90 17.539 -15.167 8.344 1.00 53.24 H new ATOM 0 HE1 MET A 90 20.079 -16.359 4.744 1.00 55.23 H new ATOM 0 HE2 MET A 90 18.705 -17.231 5.466 1.00 55.23 H new ATOM 0 HE3 MET A 90 18.412 -15.910 4.309 1.00 55.23 H new ATOM 1414 N GLU A 91 16.901 -18.863 10.453 1.00 65.45 N ATOM 1415 CA GLU A 91 16.560 -20.177 10.983 1.00 11.40 C ATOM 1416 C GLU A 91 15.766 -20.987 9.962 1.00 34.33 C ATOM 1417 O GLU A 91 14.601 -20.697 9.692 1.00 12.44 O ATOM 1418 CB GLU A 91 15.753 -20.037 12.276 1.00 33.13 C ATOM 1419 CG GLU A 91 16.540 -19.420 13.421 1.00 21.12 C ATOM 1420 CD GLU A 91 15.720 -19.292 14.689 1.00 24.32 C ATOM 1421 OE1 GLU A 91 14.496 -19.534 14.633 1.00 0.55 O1- ATOM 1422 OE2 GLU A 91 16.303 -18.948 15.738 1.00 51.55 O ATOM 0 H GLU A 91 16.097 -18.293 10.189 1.00 65.45 H new ATOM 0 HA GLU A 91 17.489 -20.705 11.198 1.00 11.40 H new ATOM 0 HB2 GLU A 91 14.872 -19.425 12.080 1.00 33.13 H new ATOM 0 HB3 GLU A 91 15.396 -21.021 12.580 1.00 33.13 H new ATOM 0 HG2 GLU A 91 17.421 -20.030 13.622 1.00 21.12 H new ATOM 0 HG3 GLU A 91 16.897 -18.434 13.122 1.00 21.12 H new ATOM 1429 N VAL A 92 16.408 -22.005 9.395 1.00 4.22 N ATOM 1430 CA VAL A 92 15.764 -22.858 8.403 1.00 10.32 C ATOM 1431 C VAL A 92 15.798 -24.320 8.831 1.00 5.13 C ATOM 1432 O VAL A 92 16.805 -24.801 9.353 1.00 24.13 O ATOM 1433 CB VAL A 92 16.436 -22.721 7.024 1.00 74.54 C ATOM 1434 CG1 VAL A 92 17.928 -23.000 7.127 1.00 44.34 C ATOM 1435 CG2 VAL A 92 15.780 -23.654 6.017 1.00 24.44 C ATOM 0 H VAL A 92 17.373 -22.258 9.606 1.00 4.22 H new ATOM 0 HA VAL A 92 14.728 -22.529 8.327 1.00 10.32 H new ATOM 0 HB VAL A 92 16.305 -21.697 6.676 1.00 74.54 H new ATOM 0 HG11 VAL A 92 18.386 -22.899 6.143 1.00 44.34 H new ATOM 0 HG12 VAL A 92 18.385 -22.288 7.815 1.00 44.34 H new ATOM 0 HG13 VAL A 92 18.084 -24.013 7.497 1.00 44.34 H new ATOM 0 HG21 VAL A 92 16.267 -23.544 5.048 1.00 24.44 H new ATOM 0 HG22 VAL A 92 15.879 -24.685 6.358 1.00 24.44 H new ATOM 0 HG23 VAL A 92 14.724 -23.403 5.922 1.00 24.44 H new ATOM 1445 N ASP A 93 14.693 -25.022 8.606 1.00 5.23 N ATOM 1446 CA ASP A 93 14.597 -26.432 8.967 1.00 71.33 C ATOM 1447 C ASP A 93 14.058 -27.256 7.802 1.00 3.43 C ATOM 1448 O ASP A 93 12.899 -27.116 7.413 1.00 70.13 O ATOM 1449 CB ASP A 93 13.696 -26.607 10.191 1.00 63.55 C ATOM 1450 CG ASP A 93 13.976 -25.577 11.267 1.00 64.33 C ATOM 1451 OD1 ASP A 93 15.083 -25.609 11.845 1.00 61.15 O1- ATOM 1452 OD2 ASP A 93 13.089 -24.739 11.533 1.00 3.05 O ATOM 0 H ASP A 93 13.852 -24.638 8.176 1.00 5.23 H new ATOM 0 HA ASP A 93 15.598 -26.789 9.208 1.00 71.33 H new ATOM 0 HB2 ASP A 93 12.653 -26.533 9.884 1.00 63.55 H new ATOM 0 HB3 ASP A 93 13.837 -27.606 10.603 1.00 63.55 H new ATOM 1457 N GLY A 94 14.907 -28.114 7.246 1.00 62.44 N ATOM 1458 CA GLY A 94 14.499 -28.946 6.130 1.00 54.13 C ATOM 1459 C GLY A 94 15.677 -29.592 5.427 1.00 34.44 C ATOM 1460 O GLY A 94 16.826 -29.221 5.660 1.00 31.24 O ATOM 0 H GLY A 94 15.872 -28.248 7.549 1.00 62.44 H new ATOM 0 HA2 GLY A 94 13.823 -29.723 6.488 1.00 54.13 H new ATOM 0 HA3 GLY A 94 13.940 -28.342 5.415 1.00 54.13 H new ATOM 1464 N GLN A 95 15.389 -30.564 4.567 1.00 20.11 N ATOM 1465 CA GLN A 95 16.434 -31.265 3.830 1.00 74.11 C ATOM 1466 C GLN A 95 17.314 -30.282 3.066 1.00 14.41 C ATOM 1467 O GLN A 95 16.842 -29.567 2.182 1.00 70.12 O ATOM 1468 CB GLN A 95 15.815 -32.274 2.861 1.00 43.12 C ATOM 1469 CG GLN A 95 16.376 -33.680 3.006 1.00 5.44 C ATOM 1470 CD GLN A 95 16.407 -34.150 4.447 1.00 62.14 C ATOM 1471 OE1 GLN A 95 15.380 -34.530 5.011 1.00 52.20 O ATOM 1472 NE2 GLN A 95 17.589 -34.128 5.052 1.00 15.42 N ATOM 0 H GLN A 95 14.442 -30.884 4.364 1.00 20.11 H new ATOM 0 HA GLN A 95 17.056 -31.798 4.549 1.00 74.11 H new ATOM 0 HB2 GLN A 95 14.737 -32.304 3.020 1.00 43.12 H new ATOM 0 HB3 GLN A 95 15.977 -31.931 1.839 1.00 43.12 H new ATOM 0 HG2 GLN A 95 15.773 -34.370 2.416 1.00 5.44 H new ATOM 0 HG3 GLN A 95 17.386 -33.708 2.597 1.00 5.44 H new ATOM 0 HE21 GLN A 95 18.414 -33.805 4.547 1.00 15.42 H new ATOM 0 HE22 GLN A 95 17.671 -34.434 6.022 1.00 15.42 H new ATOM 1481 N VAL A 96 18.597 -30.250 3.412 1.00 3.03 N ATOM 1482 CA VAL A 96 19.543 -29.356 2.758 1.00 31.30 C ATOM 1483 C VAL A 96 19.327 -29.333 1.249 1.00 11.34 C ATOM 1484 O VAL A 96 19.371 -28.276 0.622 1.00 40.02 O ATOM 1485 CB VAL A 96 20.999 -29.768 3.050 1.00 72.23 C ATOM 1486 CG1 VAL A 96 21.968 -28.886 2.278 1.00 73.33 C ATOM 1487 CG2 VAL A 96 21.281 -29.704 4.543 1.00 14.52 C ATOM 0 H VAL A 96 19.005 -30.834 4.142 1.00 3.03 H new ATOM 0 HA VAL A 96 19.366 -28.359 3.162 1.00 31.30 H new ATOM 0 HB VAL A 96 21.140 -30.797 2.721 1.00 72.23 H new ATOM 0 HG11 VAL A 96 22.991 -29.191 2.497 1.00 73.33 H new ATOM 0 HG12 VAL A 96 21.780 -28.987 1.209 1.00 73.33 H new ATOM 0 HG13 VAL A 96 21.829 -27.846 2.574 1.00 73.33 H new ATOM 0 HG21 VAL A 96 22.314 -29.998 4.731 1.00 14.52 H new ATOM 0 HG22 VAL A 96 21.123 -28.686 4.900 1.00 14.52 H new ATOM 0 HG23 VAL A 96 20.609 -30.382 5.070 1.00 14.52 H new ATOM 1497 N GLU A 97 19.090 -30.508 0.674 1.00 74.25 N ATOM 1498 CA GLU A 97 18.866 -30.622 -0.763 1.00 11.51 C ATOM 1499 C GLU A 97 17.670 -29.780 -1.196 1.00 42.00 C ATOM 1500 O GLU A 97 17.757 -28.995 -2.142 1.00 42.22 O ATOM 1501 CB GLU A 97 18.641 -32.085 -1.152 1.00 74.24 C ATOM 1502 CG GLU A 97 19.675 -32.621 -2.127 1.00 53.13 C ATOM 1503 CD GLU A 97 19.194 -33.852 -2.869 1.00 42.33 C ATOM 1504 OE1 GLU A 97 18.173 -34.437 -2.449 1.00 51.11 O ATOM 1505 OE2 GLU A 97 19.837 -34.233 -3.870 1.00 41.00 O1- ATOM 0 H GLU A 97 19.048 -31.393 1.180 1.00 74.25 H new ATOM 0 HA GLU A 97 19.754 -30.250 -1.274 1.00 11.51 H new ATOM 0 HB2 GLU A 97 18.652 -32.698 -0.251 1.00 74.24 H new ATOM 0 HB3 GLU A 97 17.650 -32.186 -1.594 1.00 74.24 H new ATOM 0 HG2 GLU A 97 19.927 -31.843 -2.847 1.00 53.13 H new ATOM 0 HG3 GLU A 97 20.589 -32.862 -1.585 1.00 53.13 H new ATOM 1512 N LEU A 98 16.552 -29.947 -0.497 1.00 4.22 N ATOM 1513 CA LEU A 98 15.336 -29.204 -0.808 1.00 45.51 C ATOM 1514 C LEU A 98 15.635 -27.717 -0.973 1.00 62.10 C ATOM 1515 O LEU A 98 15.308 -27.118 -1.999 1.00 75.13 O ATOM 1516 CB LEU A 98 14.294 -29.407 0.293 1.00 63.45 C ATOM 1517 CG LEU A 98 13.775 -30.834 0.470 1.00 24.15 C ATOM 1518 CD1 LEU A 98 12.963 -30.952 1.750 1.00 70.31 C ATOM 1519 CD2 LEU A 98 12.941 -31.251 -0.733 1.00 24.12 C ATOM 0 H LEU A 98 16.463 -30.591 0.289 1.00 4.22 H new ATOM 0 HA LEU A 98 14.938 -29.583 -1.749 1.00 45.51 H new ATOM 0 HB2 LEU A 98 14.725 -29.078 1.239 1.00 63.45 H new ATOM 0 HB3 LEU A 98 13.445 -28.756 0.086 1.00 63.45 H new ATOM 0 HG LEU A 98 14.631 -31.505 0.544 1.00 24.15 H new ATOM 0 HD11 LEU A 98 12.602 -31.975 1.859 1.00 70.31 H new ATOM 0 HD12 LEU A 98 13.590 -30.696 2.604 1.00 70.31 H new ATOM 0 HD13 LEU A 98 12.114 -30.270 1.706 1.00 70.31 H new ATOM 0 HD21 LEU A 98 12.580 -32.269 -0.590 1.00 24.12 H new ATOM 0 HD22 LEU A 98 12.092 -30.576 -0.838 1.00 24.12 H new ATOM 0 HD23 LEU A 98 13.554 -31.207 -1.633 1.00 24.12 H new ATOM 1531 N ILE A 99 16.258 -27.128 0.041 1.00 14.23 N ATOM 1532 CA ILE A 99 16.605 -25.712 0.007 1.00 35.14 C ATOM 1533 C ILE A 99 17.739 -25.448 -0.977 1.00 52.03 C ATOM 1534 O ILE A 99 17.898 -24.331 -1.470 1.00 51.23 O ATOM 1535 CB ILE A 99 17.017 -25.199 1.399 1.00 70.21 C ATOM 1536 CG1 ILE A 99 18.255 -25.949 1.896 1.00 34.25 C ATOM 1537 CG2 ILE A 99 15.867 -25.354 2.383 1.00 43.42 C ATOM 1538 CD1 ILE A 99 19.001 -25.223 2.994 1.00 52.41 C ATOM 0 H ILE A 99 16.533 -27.609 0.897 1.00 14.23 H new ATOM 0 HA ILE A 99 15.713 -25.176 -0.318 1.00 35.14 H new ATOM 0 HB ILE A 99 17.263 -24.140 1.322 1.00 70.21 H new ATOM 0 HG12 ILE A 99 17.953 -26.931 2.261 1.00 34.25 H new ATOM 0 HG13 ILE A 99 18.931 -26.115 1.057 1.00 34.25 H new ATOM 0 HG21 ILE A 99 16.174 -24.987 3.362 1.00 43.42 H new ATOM 0 HG22 ILE A 99 15.009 -24.780 2.033 1.00 43.42 H new ATOM 0 HG23 ILE A 99 15.593 -26.406 2.460 1.00 43.42 H new ATOM 0 HD11 ILE A 99 19.866 -25.812 3.297 1.00 52.41 H new ATOM 0 HD12 ILE A 99 19.334 -24.252 2.627 1.00 52.41 H new ATOM 0 HD13 ILE A 99 18.341 -25.081 3.850 1.00 52.41 H new ATOM 1550 N PHE A 100 18.523 -26.481 -1.261 1.00 71.24 N ATOM 1551 CA PHE A 100 19.642 -26.361 -2.186 1.00 72.33 C ATOM 1552 C PHE A 100 19.153 -26.334 -3.632 1.00 42.50 C ATOM 1553 O PHE A 100 19.899 -25.981 -4.546 1.00 71.51 O ATOM 1554 CB PHE A 100 20.622 -27.520 -1.990 1.00 70.10 C ATOM 1555 CG PHE A 100 21.824 -27.449 -2.887 1.00 5.21 C ATOM 1556 CD1 PHE A 100 22.902 -26.642 -2.561 1.00 32.30 C ATOM 1557 CD2 PHE A 100 21.876 -28.188 -4.058 1.00 64.21 C ATOM 1558 CE1 PHE A 100 24.010 -26.574 -3.385 1.00 55.43 C ATOM 1559 CE2 PHE A 100 22.981 -28.123 -4.885 1.00 44.14 C ATOM 1560 CZ PHE A 100 24.048 -27.315 -4.549 1.00 4.43 C ATOM 0 H PHE A 100 18.404 -27.413 -0.863 1.00 71.24 H new ATOM 0 HA PHE A 100 20.154 -25.422 -1.976 1.00 72.33 H new ATOM 0 HB2 PHE A 100 20.954 -27.532 -0.952 1.00 70.10 H new ATOM 0 HB3 PHE A 100 20.100 -28.460 -2.169 1.00 70.10 H new ATOM 0 HD1 PHE A 100 22.876 -26.059 -1.652 1.00 32.30 H new ATOM 0 HD2 PHE A 100 21.044 -28.822 -4.327 1.00 64.21 H new ATOM 0 HE1 PHE A 100 24.844 -25.942 -3.118 1.00 55.43 H new ATOM 0 HE2 PHE A 100 23.010 -28.705 -5.795 1.00 44.14 H new ATOM 0 HZ PHE A 100 24.911 -27.262 -5.196 1.00 4.43 H new ATOM 1570 N LEU A 101 17.894 -26.711 -3.830 1.00 25.32 N ATOM 1571 CA LEU A 101 17.303 -26.731 -5.163 1.00 40.32 C ATOM 1572 C LEU A 101 16.964 -25.319 -5.630 1.00 65.23 C ATOM 1573 O LEU A 101 17.128 -24.986 -6.805 1.00 62.41 O ATOM 1574 CB LEU A 101 16.043 -27.599 -5.171 1.00 25.44 C ATOM 1575 CG LEU A 101 16.181 -28.977 -5.819 1.00 23.22 C ATOM 1576 CD1 LEU A 101 16.132 -28.861 -7.335 1.00 4.34 C ATOM 1577 CD2 LEU A 101 17.473 -29.648 -5.375 1.00 22.30 C ATOM 0 H LEU A 101 17.264 -27.007 -3.085 1.00 25.32 H new ATOM 0 HA LEU A 101 18.034 -27.156 -5.851 1.00 40.32 H new ATOM 0 HB2 LEU A 101 15.714 -27.735 -4.141 1.00 25.44 H new ATOM 0 HB3 LEU A 101 15.254 -27.054 -5.689 1.00 25.44 H new ATOM 0 HG LEU A 101 15.344 -29.595 -5.495 1.00 23.22 H new ATOM 0 HD11 LEU A 101 16.232 -29.851 -7.779 1.00 4.34 H new ATOM 0 HD12 LEU A 101 15.180 -28.423 -7.636 1.00 4.34 H new ATOM 0 HD13 LEU A 101 16.949 -28.226 -7.678 1.00 4.34 H new ATOM 0 HD21 LEU A 101 17.555 -30.628 -5.846 1.00 22.30 H new ATOM 0 HD22 LEU A 101 18.323 -29.032 -5.669 1.00 22.30 H new ATOM 0 HD23 LEU A 101 17.468 -29.766 -4.291 1.00 22.30 H new ATOM 1589 N LEU A 102 16.493 -24.492 -4.703 1.00 30.55 N ATOM 1590 CA LEU A 102 16.134 -23.114 -5.019 1.00 44.41 C ATOM 1591 C LEU A 102 17.362 -22.209 -4.988 1.00 35.10 C ATOM 1592 O LEU A 102 17.286 -21.032 -5.335 1.00 24.35 O ATOM 1593 CB LEU A 102 15.084 -22.601 -4.031 1.00 74.32 C ATOM 1594 CG LEU A 102 13.625 -22.802 -4.439 1.00 21.44 C ATOM 1595 CD1 LEU A 102 13.390 -24.234 -4.898 1.00 14.34 C ATOM 1596 CD2 LEU A 102 12.695 -22.451 -3.285 1.00 31.25 C ATOM 0 H LEU A 102 16.351 -24.752 -3.727 1.00 30.55 H new ATOM 0 HA LEU A 102 15.718 -23.095 -6.026 1.00 44.41 H new ATOM 0 HB2 LEU A 102 15.244 -23.095 -3.073 1.00 74.32 H new ATOM 0 HB3 LEU A 102 15.253 -21.536 -3.873 1.00 74.32 H new ATOM 0 HG LEU A 102 13.406 -22.135 -5.273 1.00 21.44 H new ATOM 0 HD11 LEU A 102 12.346 -24.358 -5.184 1.00 14.34 H new ATOM 0 HD12 LEU A 102 14.029 -24.451 -5.754 1.00 14.34 H new ATOM 0 HD13 LEU A 102 13.627 -24.920 -4.085 1.00 14.34 H new ATOM 0 HD21 LEU A 102 11.660 -22.600 -3.593 1.00 31.25 H new ATOM 0 HD22 LEU A 102 12.915 -23.093 -2.432 1.00 31.25 H new ATOM 0 HD23 LEU A 102 12.843 -21.409 -3.003 1.00 31.25 H new ATOM 1608 N GLU A 103 18.493 -22.770 -4.572 1.00 43.15 N ATOM 1609 CA GLU A 103 19.738 -22.015 -4.498 1.00 3.21 C ATOM 1610 C GLU A 103 20.205 -21.599 -5.891 1.00 63.23 C ATOM 1611 O GLU A 103 20.439 -20.423 -6.169 1.00 12.34 O ATOM 1612 CB GLU A 103 20.824 -22.844 -3.810 1.00 45.21 C ATOM 1613 CG GLU A 103 20.921 -22.599 -2.314 1.00 43.34 C ATOM 1614 CD GLU A 103 22.023 -23.409 -1.660 1.00 35.30 C ATOM 1615 OE1 GLU A 103 23.108 -23.531 -2.266 1.00 3.05 O ATOM 1616 OE2 GLU A 103 21.801 -23.921 -0.542 1.00 12.12 O1- ATOM 0 H GLU A 103 18.573 -23.744 -4.281 1.00 43.15 H new ATOM 0 HA GLU A 103 19.553 -21.115 -3.911 1.00 3.21 H new ATOM 0 HB2 GLU A 103 20.627 -23.902 -3.984 1.00 45.21 H new ATOM 0 HB3 GLU A 103 21.787 -22.619 -4.270 1.00 45.21 H new ATOM 0 HG2 GLU A 103 21.099 -21.539 -2.134 1.00 43.34 H new ATOM 0 HG3 GLU A 103 19.968 -22.846 -1.847 1.00 43.34 H new ATOM 1623 N PRO A 104 20.346 -22.587 -6.786 1.00 1.41 N ATOM 1624 CA PRO A 104 20.787 -22.349 -8.165 1.00 73.13 C ATOM 1625 C PRO A 104 19.735 -21.615 -8.991 1.00 4.23 C ATOM 1626 O PRO A 104 19.997 -21.201 -10.120 1.00 22.01 O ATOM 1627 CB PRO A 104 21.010 -23.760 -8.714 1.00 53.34 C ATOM 1628 CG PRO A 104 20.122 -24.631 -7.894 1.00 15.34 C ATOM 1629 CD PRO A 104 20.085 -24.012 -6.524 1.00 52.44 C ATOM 0 HA PRO A 104 21.673 -21.716 -8.207 1.00 73.13 H new ATOM 0 HB2 PRO A 104 20.754 -23.818 -9.772 1.00 53.34 H new ATOM 0 HB3 PRO A 104 22.054 -24.060 -8.622 1.00 53.34 H new ATOM 0 HG2 PRO A 104 19.122 -24.685 -8.325 1.00 15.34 H new ATOM 0 HG3 PRO A 104 20.506 -25.650 -7.851 1.00 15.34 H new ATOM 0 HD2 PRO A 104 19.119 -24.161 -6.042 1.00 52.44 H new ATOM 0 HD3 PRO A 104 20.840 -24.445 -5.867 1.00 52.44 H new ATOM 1637 N PHE A 105 18.544 -21.460 -8.421 1.00 2.15 N ATOM 1638 CA PHE A 105 17.453 -20.778 -9.107 1.00 32.10 C ATOM 1639 C PHE A 105 17.400 -19.304 -8.712 1.00 31.15 C ATOM 1640 O PHE A 105 16.766 -18.493 -9.386 1.00 64.30 O ATOM 1641 CB PHE A 105 16.118 -21.452 -8.781 1.00 54.33 C ATOM 1642 CG PHE A 105 15.835 -22.659 -9.628 1.00 41.41 C ATOM 1643 CD1 PHE A 105 16.872 -23.434 -10.123 1.00 74.43 C ATOM 1644 CD2 PHE A 105 14.532 -23.019 -9.931 1.00 1.41 C ATOM 1645 CE1 PHE A 105 16.615 -24.546 -10.901 1.00 11.53 C ATOM 1646 CE2 PHE A 105 14.268 -24.131 -10.709 1.00 3.32 C ATOM 1647 CZ PHE A 105 15.311 -24.894 -11.196 1.00 12.30 C ATOM 0 H PHE A 105 18.310 -21.797 -7.487 1.00 2.15 H new ATOM 0 HA PHE A 105 17.634 -20.843 -10.180 1.00 32.10 H new ATOM 0 HB2 PHE A 105 16.115 -21.746 -7.731 1.00 54.33 H new ATOM 0 HB3 PHE A 105 15.313 -20.729 -8.912 1.00 54.33 H new ATOM 0 HD1 PHE A 105 17.893 -23.165 -9.898 1.00 74.43 H new ATOM 0 HD2 PHE A 105 13.713 -22.424 -9.555 1.00 1.41 H new ATOM 0 HE1 PHE A 105 17.432 -25.143 -11.278 1.00 11.53 H new ATOM 0 HE2 PHE A 105 13.248 -24.403 -10.936 1.00 3.32 H new ATOM 0 HZ PHE A 105 15.108 -25.761 -11.806 1.00 12.30 H new ATOM 1657 N ILE A 106 18.072 -18.967 -7.617 1.00 24.22 N ATOM 1658 CA ILE A 106 18.103 -17.592 -7.133 1.00 75.54 C ATOM 1659 C ILE A 106 18.626 -16.643 -8.206 1.00 2.34 C ATOM 1660 O ILE A 106 18.136 -15.524 -8.351 1.00 3.54 O ATOM 1661 CB ILE A 106 18.979 -17.457 -5.873 1.00 33.34 C ATOM 1662 CG1 ILE A 106 18.250 -18.027 -4.654 1.00 1.44 C ATOM 1663 CG2 ILE A 106 19.353 -16.001 -5.642 1.00 24.41 C ATOM 1664 CD1 ILE A 106 19.179 -18.604 -3.610 1.00 25.24 C ATOM 0 H ILE A 106 18.602 -19.627 -7.048 1.00 24.22 H new ATOM 0 HA ILE A 106 17.077 -17.323 -6.882 1.00 75.54 H new ATOM 0 HB ILE A 106 19.896 -18.027 -6.023 1.00 33.34 H new ATOM 0 HG12 ILE A 106 17.649 -17.239 -4.199 1.00 1.44 H new ATOM 0 HG13 ILE A 106 17.560 -18.804 -4.984 1.00 1.44 H new ATOM 0 HG21 ILE A 106 19.972 -15.922 -4.748 1.00 24.41 H new ATOM 0 HG22 ILE A 106 19.908 -15.627 -6.502 1.00 24.41 H new ATOM 0 HG23 ILE A 106 18.447 -15.409 -5.510 1.00 24.41 H new ATOM 0 HD11 ILE A 106 18.594 -18.989 -2.775 1.00 25.24 H new ATOM 0 HD12 ILE A 106 19.762 -19.414 -4.049 1.00 25.24 H new ATOM 0 HD13 ILE A 106 19.852 -17.825 -3.252 1.00 25.24 H new ATOM 1676 N ALA A 107 19.623 -17.100 -8.957 1.00 3.35 N ATOM 1677 CA ALA A 107 20.210 -16.294 -10.020 1.00 34.20 C ATOM 1678 C ALA A 107 19.209 -16.058 -11.146 1.00 53.41 C ATOM 1679 O ALA A 107 19.126 -14.960 -11.696 1.00 32.33 O ATOM 1680 CB ALA A 107 21.466 -16.963 -10.558 1.00 64.22 C ATOM 0 H ALA A 107 20.041 -18.024 -8.849 1.00 3.35 H new ATOM 0 HA ALA A 107 20.480 -15.325 -9.601 1.00 34.20 H new ATOM 0 HB1 ALA A 107 21.894 -16.350 -11.351 1.00 64.22 H new ATOM 0 HB2 ALA A 107 22.193 -17.073 -9.753 1.00 64.22 H new ATOM 0 HB3 ALA A 107 21.213 -17.946 -10.956 1.00 64.22 H new ATOM 1686 N SER A 108 18.453 -17.096 -11.486 1.00 21.15 N ATOM 1687 CA SER A 108 17.461 -17.004 -12.552 1.00 44.42 C ATOM 1688 C SER A 108 16.554 -15.795 -12.344 1.00 32.13 C ATOM 1689 O SER A 108 16.097 -15.175 -13.306 1.00 64.31 O ATOM 1690 CB SER A 108 16.623 -18.282 -12.609 1.00 55.01 C ATOM 1691 OG SER A 108 15.866 -18.342 -13.806 1.00 5.42 O ATOM 0 H SER A 108 18.508 -18.011 -11.039 1.00 21.15 H new ATOM 0 HA SER A 108 17.989 -16.883 -13.498 1.00 44.42 H new ATOM 0 HB2 SER A 108 17.276 -19.152 -12.544 1.00 55.01 H new ATOM 0 HB3 SER A 108 15.954 -18.321 -11.749 1.00 55.01 H new ATOM 0 HG SER A 108 15.340 -19.169 -13.819 1.00 5.42 H new ATOM 1697 N LEU A 109 16.296 -15.466 -11.084 1.00 35.14 N ATOM 1698 CA LEU A 109 15.443 -14.331 -10.748 1.00 3.21 C ATOM 1699 C LEU A 109 15.999 -13.039 -11.338 1.00 12.12 C ATOM 1700 O LEU A 109 17.128 -13.002 -11.828 1.00 20.34 O ATOM 1701 CB LEU A 109 15.312 -14.198 -9.230 1.00 34.14 C ATOM 1702 CG LEU A 109 15.093 -15.499 -8.459 1.00 61.52 C ATOM 1703 CD1 LEU A 109 14.850 -15.212 -6.985 1.00 33.34 C ATOM 1704 CD2 LEU A 109 13.929 -16.281 -9.050 1.00 5.32 C ATOM 0 H LEU A 109 16.665 -15.969 -10.277 1.00 35.14 H new ATOM 0 HA LEU A 109 14.457 -14.509 -11.177 1.00 3.21 H new ATOM 0 HB2 LEU A 109 16.214 -13.720 -8.848 1.00 34.14 H new ATOM 0 HB3 LEU A 109 14.480 -13.527 -9.015 1.00 34.14 H new ATOM 0 HG LEU A 109 15.994 -16.106 -8.547 1.00 61.52 H new ATOM 0 HD11 LEU A 109 14.696 -16.150 -6.452 1.00 33.34 H new ATOM 0 HD12 LEU A 109 15.714 -14.695 -6.568 1.00 33.34 H new ATOM 0 HD13 LEU A 109 13.965 -14.584 -6.878 1.00 33.34 H new ATOM 0 HD21 LEU A 109 13.788 -17.204 -8.488 1.00 5.32 H new ATOM 0 HD22 LEU A 109 13.021 -15.680 -8.994 1.00 5.32 H new ATOM 0 HD23 LEU A 109 14.143 -16.520 -10.092 1.00 5.32 H new ATOM 1716 N LYS A 110 15.200 -11.979 -11.284 1.00 61.55 N ATOM 1717 CA LYS A 110 15.612 -10.682 -11.809 1.00 50.13 C ATOM 1718 C LYS A 110 15.669 -9.639 -10.698 1.00 22.31 C ATOM 1719 O LYS A 110 16.475 -8.714 -10.782 1.00 42.22 O ATOM 1720 CB LYS A 110 14.648 -10.223 -12.906 1.00 44.41 C ATOM 1721 CG LYS A 110 14.872 -10.913 -14.240 1.00 44.45 C ATOM 1722 CD LYS A 110 16.034 -10.297 -14.999 1.00 34.11 C ATOM 1723 CE LYS A 110 16.744 -11.327 -15.865 1.00 5.35 C ATOM 1724 NZ LYS A 110 16.409 -11.165 -17.306 1.00 30.41 N1+ ATOM 0 H LYS A 110 14.263 -11.992 -10.882 1.00 61.55 H new ATOM 0 HA LYS A 110 16.610 -10.790 -12.233 1.00 50.13 H new ATOM 0 HB2 LYS A 110 13.625 -10.407 -12.579 1.00 44.41 H new ATOM 0 HB3 LYS A 110 14.751 -9.146 -13.041 1.00 44.41 H new ATOM 0 HG2 LYS A 110 15.066 -11.973 -14.074 1.00 44.45 H new ATOM 0 HG3 LYS A 110 13.966 -10.845 -14.842 1.00 44.45 H new ATOM 0 HD2 LYS A 110 15.670 -9.483 -15.625 1.00 34.11 H new ATOM 0 HD3 LYS A 110 16.742 -9.864 -14.293 1.00 34.11 H new ATOM 0 HE2 LYS A 110 17.822 -11.234 -15.730 1.00 5.35 H new ATOM 0 HE3 LYS A 110 16.467 -12.329 -15.538 1.00 5.35 H new ATOM 0 HZ1 LYS A 110 16.912 -11.885 -17.863 1.00 30.41 H new ATOM 0 HZ2 LYS A 110 15.384 -11.279 -17.439 1.00 30.41 H new ATOM 0 HZ3 LYS A 110 16.696 -10.218 -17.625 1.00 30.41 H new TER 1738 LYS A 110 HETATM 1739 C1 PLM A 200 9.917 -28.276 -9.571 1.00 74.02 C HETATM 1740 O1 PLM A 200 9.000 -28.365 -8.566 1.00 23.33 O HETATM 1741 O2 PLM A 200 9.842 -28.924 -10.609 1.00 34.01 O HETATM 1742 C2 PLM A 200 11.066 -27.279 -9.263 1.00 54.31 C HETATM 1743 C3 PLM A 200 10.673 -25.841 -9.754 1.00 13.24 C HETATM 1744 C4 PLM A 200 10.368 -24.827 -8.626 1.00 51.32 C HETATM 1745 C5 PLM A 200 11.611 -24.011 -8.225 1.00 43.34 C HETATM 1746 C6 PLM A 200 11.247 -22.777 -7.379 1.00 53.20 C HETATM 1747 C7 PLM A 200 12.284 -21.646 -7.522 1.00 14.42 C HETATM 1748 C8 PLM A 200 12.103 -20.553 -6.451 1.00 54.50 C HETATM 1749 C9 PLM A 200 13.401 -19.757 -6.203 1.00 71.14 C HETATM 1750 CA PLM A 200 13.586 -19.280 -4.748 1.00 3.31 C HETATM 1751 CB PLM A 200 15.011 -18.728 -4.556 1.00 12.32 C HETATM 1752 CC PLM A 200 14.967 -17.811 -3.171 1.00 52.33 C HETATM 1753 CD PLM A 200 15.147 -18.694 -1.921 1.00 43.24 C HETATM 1754 CE PLM A 200 16.512 -19.410 -1.906 1.00 12.22 C HETATM 1755 CF PLM A 200 16.658 -20.357 -0.702 1.00 51.53 C HETATM 1756 CG PLM A 200 17.688 -21.463 -0.968 1.00 5.21 C HETATM 0 HG3 PLM A 200 17.375 -22.052 -1.830 1.00 5.21 H new HETATM 0 HG2 PLM A 200 18.660 -21.014 -1.169 1.00 5.21 H new HETATM 0 HG1 PLM A 200 17.761 -22.110 -0.094 1.00 5.21 H new HETATM 0 HF2 PLM A 200 16.958 -19.785 0.176 1.00 51.53 H new HETATM 0 HF1 PLM A 200 15.692 -20.807 -0.475 1.00 51.53 H new HETATM 0 HE2 PLM A 200 16.633 -19.977 -2.829 1.00 12.22 H new HETATM 0 HE1 PLM A 200 17.310 -18.668 -1.881 1.00 12.22 H new HETATM 0 HD2 PLM A 200 15.052 -18.078 -1.027 1.00 43.24 H new HETATM 0 HD1 PLM A 200 14.349 -19.436 -1.884 1.00 43.24 H new HETATM 0 HC2 PLM A 200 15.753 -17.057 -3.204 1.00 52.33 H new HETATM 0 HC1 PLM A 200 14.017 -17.279 -3.112 1.00 52.33 H new HETATM 0 HB2 PLM A 200 15.734 -19.539 -4.464 1.00 12.32 H new HETATM 0 HB1 PLM A 200 15.315 -18.126 -5.413 1.00 12.32 H new HETATM 0 HA2 PLM A 200 12.853 -18.509 -4.513 1.00 3.31 H new HETATM 0 HA1 PLM A 200 13.411 -20.107 -4.060 1.00 3.31 H new HETATM 0 H92 PLM A 200 14.253 -20.378 -6.480 1.00 71.14 H new HETATM 0 H91 PLM A 200 13.412 -18.889 -6.862 1.00 71.14 H new HETATM 0 H82 PLM A 200 11.314 -19.869 -6.763 1.00 54.50 H new HETATM 0 H81 PLM A 200 11.777 -21.012 -5.518 1.00 54.50 H new HETATM 0 H72 PLM A 200 13.288 -22.064 -7.446 1.00 14.42 H new HETATM 0 H71 PLM A 200 12.198 -21.200 -8.513 1.00 14.42 H new HETATM 0 H62 PLM A 200 10.266 -22.409 -7.680 1.00 53.20 H new HETATM 0 H61 PLM A 200 11.170 -23.067 -6.331 1.00 53.20 H new HETATM 0 H52 PLM A 200 12.295 -24.646 -7.662 1.00 43.34 H new HETATM 0 H51 PLM A 200 12.139 -23.691 -9.123 1.00 43.34 H new HETATM 0 H42 PLM A 200 9.580 -24.148 -8.953 1.00 51.32 H new HETATM 0 H41 PLM A 200 9.988 -25.360 -7.754 1.00 51.32 H new HETATM 0 H32 PLM A 200 11.485 -25.448 -10.366 1.00 13.24 H new HETATM 0 H31 PLM A 200 9.797 -25.920 -10.398 1.00 13.24 H new HETATM 0 H22 PLM A 200 11.269 -27.264 -8.192 1.00 54.31 H new HETATM 0 H21 PLM A 200 11.982 -27.603 -9.756 1.00 54.31 H new HETATM 0 H PLM A 200 9.420 -28.759 -7.774 1.00 23.33 H new