USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=21 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 -139:sc= -0.0512 (180deg=-0.000826) USER MOD Set 1.2: A 85 MET CE :methyl -167:sc= -4.86! (180deg=-4.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -95:sc= 0.0201 (180deg=-0.072) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0732 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= -0.567 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0198 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.205 K(o=-0.21,f=-0.73!) USER MOD Single : A 28 HIS : no HE2:sc= -0.0516 K(o=-0.052,f=-1.4) USER MOD Single : A 30 TYR OH : rot 180:sc= -1.2 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 151:sc= -1 USER MOD Single : A 36 GLN :FLIP amide:sc= -2.44 F(o=-3.4,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= -3.17! C(o=-3.2!,f=-4!) USER MOD Single : A 46 MET CE :methyl 143:sc= -0.304 (180deg=-2.25!) USER MOD Single : A 49 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0777) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 48:sc= 0.415 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 82:sc= 0.247 USER MOD Single : A 71 MET CE :methyl -178:sc= -3.85! (180deg=-3.86!) USER MOD Single : A 76 THR OG1 : rot -108:sc= 1.26 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=-0.87) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl -165:sc= -4.3 (180deg=-6.45!) USER MOD Single : A 95 GLN : amide:sc= -0.503 K(o=-0.5,f=-1.8) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ -151:sc= -0.084 (180deg=-0.529) USER MOD Single : A 200 PLM O1 : rot 109:sc= -1.12! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.078 0.559 -1.106 1.00 2.12 N ATOM 2 CA MET A 1 3.865 1.129 -2.193 1.00 55.40 C ATOM 3 C MET A 1 4.895 0.126 -2.702 1.00 43.44 C ATOM 4 O MET A 1 5.468 -0.639 -1.926 1.00 21.44 O ATOM 5 CB MET A 1 4.568 2.407 -1.727 1.00 1.43 C ATOM 6 CG MET A 1 3.630 3.593 -1.569 1.00 14.10 C ATOM 7 SD MET A 1 3.614 4.663 -3.020 1.00 63.13 S ATOM 8 CE MET A 1 2.669 6.054 -2.404 1.00 63.32 C ATOM 0 H1 MET A 1 2.198 0.158 -1.488 1.00 2.12 H new ATOM 0 H2 MET A 1 3.625 -0.191 -0.637 1.00 2.12 H new ATOM 0 H3 MET A 1 2.849 1.303 -0.416 1.00 2.12 H new ATOM 0 HA MET A 1 3.186 1.373 -3.010 1.00 55.40 H new ATOM 0 HB2 MET A 1 5.061 2.214 -0.774 1.00 1.43 H new ATOM 0 HB3 MET A 1 5.349 2.664 -2.443 1.00 1.43 H new ATOM 0 HG2 MET A 1 2.620 3.230 -1.379 1.00 14.10 H new ATOM 0 HG3 MET A 1 3.929 4.174 -0.697 1.00 14.10 H new ATOM 0 HE1 MET A 1 2.572 6.804 -3.189 1.00 63.32 H new ATOM 0 HE2 MET A 1 1.678 5.715 -2.101 1.00 63.32 H new ATOM 0 HE3 MET A 1 3.181 6.490 -1.546 1.00 63.32 H new ATOM 18 N SER A 2 5.125 0.134 -4.012 1.00 54.23 N ATOM 19 CA SER A 2 6.083 -0.778 -4.625 1.00 32.41 C ATOM 20 C SER A 2 7.481 -0.566 -4.051 1.00 10.23 C ATOM 21 O SER A 2 8.094 0.482 -4.251 1.00 4.44 O ATOM 22 CB SER A 2 6.108 -0.581 -6.142 1.00 33.45 C ATOM 23 OG SER A 2 4.859 -0.106 -6.615 1.00 15.20 O ATOM 0 H SER A 2 4.661 0.762 -4.668 1.00 54.23 H new ATOM 0 HA SER A 2 5.769 -1.798 -4.402 1.00 32.41 H new ATOM 0 HB2 SER A 2 6.894 0.126 -6.407 1.00 33.45 H new ATOM 0 HB3 SER A 2 6.350 -1.525 -6.631 1.00 33.45 H new ATOM 0 HG SER A 2 4.901 0.013 -7.587 1.00 15.20 H new ATOM 29 N LEU A 3 7.977 -1.570 -3.336 1.00 73.31 N ATOM 30 CA LEU A 3 9.303 -1.494 -2.731 1.00 75.02 C ATOM 31 C LEU A 3 10.294 -2.378 -3.481 1.00 14.53 C ATOM 32 O LEU A 3 9.935 -3.053 -4.445 1.00 42.22 O ATOM 33 CB LEU A 3 9.239 -1.914 -1.261 1.00 63.32 C ATOM 34 CG LEU A 3 8.676 -3.308 -0.985 1.00 12.11 C ATOM 35 CD1 LEU A 3 9.356 -3.929 0.226 1.00 30.40 C ATOM 36 CD2 LEU A 3 7.169 -3.245 -0.779 1.00 14.33 C ATOM 0 H LEU A 3 7.482 -2.445 -3.161 1.00 73.31 H new ATOM 0 HA LEU A 3 9.646 -0.461 -2.793 1.00 75.02 H new ATOM 0 HB2 LEU A 3 10.245 -1.862 -0.845 1.00 63.32 H new ATOM 0 HB3 LEU A 3 8.633 -1.186 -0.722 1.00 63.32 H new ATOM 0 HG LEU A 3 8.878 -3.937 -1.852 1.00 12.11 H new ATOM 0 HD11 LEU A 3 8.942 -4.921 0.407 1.00 30.40 H new ATOM 0 HD12 LEU A 3 10.427 -4.011 0.040 1.00 30.40 H new ATOM 0 HD13 LEU A 3 9.187 -3.300 1.100 1.00 30.40 H new ATOM 0 HD21 LEU A 3 6.786 -4.247 -0.584 1.00 14.33 H new ATOM 0 HD22 LEU A 3 6.944 -2.599 0.070 1.00 14.33 H new ATOM 0 HD23 LEU A 3 6.696 -2.844 -1.675 1.00 14.33 H new ATOM 48 N LYS A 4 11.544 -2.371 -3.030 1.00 74.23 N ATOM 49 CA LYS A 4 12.588 -3.174 -3.655 1.00 53.11 C ATOM 50 C LYS A 4 12.341 -4.662 -3.426 1.00 23.13 C ATOM 51 O LYS A 4 12.205 -5.432 -4.377 1.00 33.14 O ATOM 52 CB LYS A 4 13.961 -2.783 -3.103 1.00 4.34 C ATOM 53 CG LYS A 4 14.833 -2.049 -4.105 1.00 14.11 C ATOM 54 CD LYS A 4 15.374 -0.751 -3.529 1.00 62.11 C ATOM 55 CE LYS A 4 14.286 0.306 -3.420 1.00 4.50 C ATOM 56 NZ LYS A 4 14.805 1.580 -2.849 1.00 25.42 N1+ ATOM 0 H LYS A 4 11.859 -1.817 -2.233 1.00 74.23 H new ATOM 0 HA LYS A 4 12.566 -2.981 -4.728 1.00 53.11 H new ATOM 0 HB2 LYS A 4 13.824 -2.153 -2.224 1.00 4.34 H new ATOM 0 HB3 LYS A 4 14.480 -3.683 -2.773 1.00 4.34 H new ATOM 0 HG2 LYS A 4 15.663 -2.689 -4.404 1.00 14.11 H new ATOM 0 HG3 LYS A 4 14.255 -1.836 -5.004 1.00 14.11 H new ATOM 0 HD2 LYS A 4 15.800 -0.939 -2.544 1.00 62.11 H new ATOM 0 HD3 LYS A 4 16.181 -0.380 -4.160 1.00 62.11 H new ATOM 0 HE2 LYS A 4 13.864 0.496 -4.407 1.00 4.50 H new ATOM 0 HE3 LYS A 4 13.477 -0.069 -2.794 1.00 4.50 H new ATOM 0 HZ1 LYS A 4 14.033 2.274 -2.791 1.00 25.42 H new ATOM 0 HZ2 LYS A 4 15.185 1.404 -1.897 1.00 25.42 H new ATOM 0 HZ3 LYS A 4 15.560 1.952 -3.460 1.00 25.42 H new ATOM 70 N SER A 5 12.282 -5.059 -2.158 1.00 45.41 N ATOM 71 CA SER A 5 12.053 -6.454 -1.805 1.00 45.22 C ATOM 72 C SER A 5 10.948 -7.059 -2.666 1.00 54.53 C ATOM 73 O SER A 5 10.958 -8.256 -2.959 1.00 44.30 O ATOM 74 CB SER A 5 11.685 -6.574 -0.325 1.00 53.55 C ATOM 75 OG SER A 5 12.169 -5.465 0.412 1.00 22.21 O ATOM 0 H SER A 5 12.390 -4.434 -1.359 1.00 45.41 H new ATOM 0 HA SER A 5 12.975 -7.005 -1.989 1.00 45.22 H new ATOM 0 HB2 SER A 5 10.602 -6.639 -0.220 1.00 53.55 H new ATOM 0 HB3 SER A 5 12.101 -7.495 0.083 1.00 53.55 H new ATOM 0 HG SER A 5 11.919 -5.564 1.354 1.00 22.21 H new ATOM 81 N ASP A 6 9.997 -6.223 -3.068 1.00 52.44 N ATOM 82 CA ASP A 6 8.884 -6.674 -3.896 1.00 71.01 C ATOM 83 C ASP A 6 9.391 -7.394 -5.143 1.00 21.35 C ATOM 84 O ASP A 6 8.929 -8.487 -5.469 1.00 22.51 O ATOM 85 CB ASP A 6 8.007 -5.487 -4.300 1.00 22.02 C ATOM 86 CG ASP A 6 6.568 -5.890 -4.550 1.00 15.21 C ATOM 87 OD1 ASP A 6 6.053 -6.748 -3.805 1.00 45.13 O1- ATOM 88 OD2 ASP A 6 5.955 -5.347 -5.493 1.00 43.34 O ATOM 0 H ASP A 6 9.974 -5.230 -2.834 1.00 52.44 H new ATOM 0 HA ASP A 6 8.288 -7.374 -3.310 1.00 71.01 H new ATOM 0 HB2 ASP A 6 8.039 -4.732 -3.515 1.00 22.02 H new ATOM 0 HB3 ASP A 6 8.414 -5.028 -5.201 1.00 22.02 H new ATOM 93 N GLU A 7 10.341 -6.773 -5.834 1.00 34.23 N ATOM 94 CA GLU A 7 10.908 -7.354 -7.044 1.00 34.02 C ATOM 95 C GLU A 7 11.340 -8.798 -6.804 1.00 65.44 C ATOM 96 O GLU A 7 11.193 -9.656 -7.674 1.00 4.31 O ATOM 97 CB GLU A 7 12.103 -6.527 -7.524 1.00 60.23 C ATOM 98 CG GLU A 7 12.215 -6.441 -9.037 1.00 53.31 C ATOM 99 CD GLU A 7 11.255 -5.431 -9.637 1.00 52.50 C ATOM 100 OE1 GLU A 7 11.554 -4.221 -9.575 1.00 42.03 O ATOM 101 OE2 GLU A 7 10.206 -5.852 -10.167 1.00 23.23 O1- ATOM 0 H GLU A 7 10.734 -5.868 -5.576 1.00 34.23 H new ATOM 0 HA GLU A 7 10.137 -7.346 -7.814 1.00 34.02 H new ATOM 0 HB2 GLU A 7 12.024 -5.519 -7.116 1.00 60.23 H new ATOM 0 HB3 GLU A 7 13.019 -6.962 -7.124 1.00 60.23 H new ATOM 0 HG2 GLU A 7 13.236 -6.171 -9.307 1.00 53.31 H new ATOM 0 HG3 GLU A 7 12.020 -7.423 -9.468 1.00 53.31 H new ATOM 108 N VAL A 8 11.875 -9.059 -5.616 1.00 74.30 N ATOM 109 CA VAL A 8 12.329 -10.399 -5.259 1.00 35.34 C ATOM 110 C VAL A 8 11.193 -11.410 -5.366 1.00 41.31 C ATOM 111 O VAL A 8 11.271 -12.368 -6.136 1.00 60.20 O ATOM 112 CB VAL A 8 12.899 -10.435 -3.828 1.00 62.21 C ATOM 113 CG1 VAL A 8 13.226 -11.864 -3.420 1.00 15.23 C ATOM 114 CG2 VAL A 8 14.131 -9.548 -3.724 1.00 74.14 C ATOM 0 H VAL A 8 12.005 -8.361 -4.884 1.00 74.30 H new ATOM 0 HA VAL A 8 13.117 -10.665 -5.964 1.00 35.34 H new ATOM 0 HB VAL A 8 12.143 -10.050 -3.144 1.00 62.21 H new ATOM 0 HG11 VAL A 8 13.627 -11.870 -2.407 1.00 15.23 H new ATOM 0 HG12 VAL A 8 12.320 -12.469 -3.455 1.00 15.23 H new ATOM 0 HG13 VAL A 8 13.965 -12.278 -4.106 1.00 15.23 H new ATOM 0 HG21 VAL A 8 14.521 -9.585 -2.707 1.00 74.14 H new ATOM 0 HG22 VAL A 8 14.893 -9.902 -4.418 1.00 74.14 H new ATOM 0 HG23 VAL A 8 13.862 -8.521 -3.973 1.00 74.14 H new ATOM 124 N PHE A 9 10.137 -11.191 -4.590 1.00 5.40 N ATOM 125 CA PHE A 9 8.984 -12.084 -4.598 1.00 4.42 C ATOM 126 C PHE A 9 8.525 -12.367 -6.025 1.00 14.12 C ATOM 127 O PHE A 9 8.319 -13.519 -6.406 1.00 72.03 O ATOM 128 CB PHE A 9 7.835 -11.475 -3.792 1.00 14.30 C ATOM 129 CG PHE A 9 7.812 -11.913 -2.356 1.00 1.13 C ATOM 130 CD1 PHE A 9 8.972 -12.338 -1.730 1.00 64.03 C ATOM 131 CD2 PHE A 9 6.631 -11.898 -1.632 1.00 71.40 C ATOM 132 CE1 PHE A 9 8.955 -12.741 -0.407 1.00 45.45 C ATOM 133 CE2 PHE A 9 6.607 -12.299 -0.309 1.00 70.23 C ATOM 134 CZ PHE A 9 7.771 -12.723 0.304 1.00 3.11 C ATOM 0 H PHE A 9 10.056 -10.403 -3.948 1.00 5.40 H new ATOM 0 HA PHE A 9 9.282 -13.026 -4.138 1.00 4.42 H new ATOM 0 HB2 PHE A 9 7.911 -10.388 -3.831 1.00 14.30 H new ATOM 0 HB3 PHE A 9 6.889 -11.746 -4.261 1.00 14.30 H new ATOM 0 HD1 PHE A 9 9.901 -12.355 -2.281 1.00 64.03 H new ATOM 0 HD2 PHE A 9 5.718 -11.569 -2.107 1.00 71.40 H new ATOM 0 HE1 PHE A 9 9.867 -13.069 0.070 1.00 45.45 H new ATOM 0 HE2 PHE A 9 5.680 -12.281 0.245 1.00 70.23 H new ATOM 0 HZ PHE A 9 7.755 -13.039 1.336 1.00 3.11 H new ATOM 144 N ALA A 10 8.367 -11.306 -6.811 1.00 54.15 N ATOM 145 CA ALA A 10 7.933 -11.441 -8.197 1.00 71.40 C ATOM 146 C ALA A 10 8.941 -12.245 -9.012 1.00 23.42 C ATOM 147 O ALA A 10 8.564 -13.081 -9.833 1.00 32.34 O ATOM 148 CB ALA A 10 7.724 -10.068 -8.819 1.00 11.12 C ATOM 0 H ALA A 10 8.533 -10.345 -6.512 1.00 54.15 H new ATOM 0 HA ALA A 10 6.986 -11.981 -8.205 1.00 71.40 H new ATOM 0 HB1 ALA A 10 7.400 -10.183 -9.853 1.00 11.12 H new ATOM 0 HB2 ALA A 10 6.962 -9.527 -8.258 1.00 11.12 H new ATOM 0 HB3 ALA A 10 8.660 -9.510 -8.791 1.00 11.12 H new ATOM 154 N LYS A 11 10.223 -11.987 -8.779 1.00 53.04 N ATOM 155 CA LYS A 11 11.286 -12.687 -9.490 1.00 71.11 C ATOM 156 C LYS A 11 11.238 -14.184 -9.204 1.00 34.23 C ATOM 157 O LYS A 11 11.212 -15.001 -10.125 1.00 35.32 O ATOM 158 CB LYS A 11 12.652 -12.124 -9.092 1.00 75.32 C ATOM 159 CG LYS A 11 13.012 -10.834 -9.810 1.00 51.04 C ATOM 160 CD LYS A 11 13.220 -11.064 -11.297 1.00 31.12 C ATOM 161 CE LYS A 11 12.210 -10.287 -12.128 1.00 2.51 C ATOM 162 NZ LYS A 11 12.606 -10.221 -13.563 1.00 32.05 N1+ ATOM 0 H LYS A 11 10.551 -11.298 -8.103 1.00 53.04 H new ATOM 0 HA LYS A 11 11.135 -12.534 -10.559 1.00 71.11 H new ATOM 0 HB2 LYS A 11 12.663 -11.946 -8.017 1.00 75.32 H new ATOM 0 HB3 LYS A 11 13.418 -12.871 -9.300 1.00 75.32 H new ATOM 0 HG2 LYS A 11 12.220 -10.100 -9.662 1.00 51.04 H new ATOM 0 HG3 LYS A 11 13.920 -10.415 -9.375 1.00 51.04 H new ATOM 0 HD2 LYS A 11 14.230 -10.763 -11.575 1.00 31.12 H new ATOM 0 HD3 LYS A 11 13.133 -12.128 -11.517 1.00 31.12 H new ATOM 0 HE2 LYS A 11 11.231 -10.758 -12.043 1.00 2.51 H new ATOM 0 HE3 LYS A 11 12.114 -9.276 -11.731 1.00 2.51 H new ATOM 0 HZ1 LYS A 11 11.893 -9.684 -14.096 1.00 32.05 H new ATOM 0 HZ2 LYS A 11 13.529 -9.749 -13.647 1.00 32.05 H new ATOM 0 HZ3 LYS A 11 12.673 -11.184 -13.949 1.00 32.05 H new ATOM 176 N ILE A 12 11.226 -14.536 -7.923 1.00 21.10 N ATOM 177 CA ILE A 12 11.179 -15.935 -7.515 1.00 64.54 C ATOM 178 C ILE A 12 10.000 -16.655 -8.159 1.00 34.03 C ATOM 179 O ILE A 12 10.153 -17.736 -8.727 1.00 74.53 O ATOM 180 CB ILE A 12 11.079 -16.074 -5.985 1.00 74.10 C ATOM 181 CG1 ILE A 12 12.381 -15.622 -5.323 1.00 64.04 C ATOM 182 CG2 ILE A 12 10.755 -17.510 -5.603 1.00 5.33 C ATOM 183 CD1 ILE A 12 12.367 -15.740 -3.816 1.00 2.33 C ATOM 0 H ILE A 12 11.248 -13.872 -7.149 1.00 21.10 H new ATOM 0 HA ILE A 12 12.109 -16.393 -7.851 1.00 64.54 H new ATOM 0 HB ILE A 12 10.272 -15.433 -5.630 1.00 74.10 H new ATOM 0 HG12 ILE A 12 13.205 -16.216 -5.718 1.00 64.04 H new ATOM 0 HG13 ILE A 12 12.577 -14.585 -5.596 1.00 64.04 H new ATOM 0 HG21 ILE A 12 10.688 -17.592 -4.518 1.00 5.33 H new ATOM 0 HG22 ILE A 12 9.803 -17.799 -6.048 1.00 5.33 H new ATOM 0 HG23 ILE A 12 11.542 -18.170 -5.968 1.00 5.33 H new ATOM 0 HD11 ILE A 12 13.323 -15.402 -3.416 1.00 2.33 H new ATOM 0 HD12 ILE A 12 11.565 -15.123 -3.410 1.00 2.33 H new ATOM 0 HD13 ILE A 12 12.203 -16.780 -3.534 1.00 2.33 H new ATOM 195 N ALA A 13 8.820 -16.048 -8.067 1.00 52.24 N ATOM 196 CA ALA A 13 7.614 -16.628 -8.642 1.00 63.33 C ATOM 197 C ALA A 13 7.726 -16.732 -10.160 1.00 65.53 C ATOM 198 O ALA A 13 7.543 -17.805 -10.735 1.00 52.01 O ATOM 199 CB ALA A 13 6.395 -15.805 -8.256 1.00 65.33 C ATOM 0 H ALA A 13 8.675 -15.154 -7.599 1.00 52.24 H new ATOM 0 HA ALA A 13 7.499 -17.635 -8.242 1.00 63.33 H new ATOM 0 HB1 ALA A 13 5.502 -16.251 -8.693 1.00 65.33 H new ATOM 0 HB2 ALA A 13 6.297 -15.786 -7.171 1.00 65.33 H new ATOM 0 HB3 ALA A 13 6.511 -14.787 -8.627 1.00 65.33 H new ATOM 205 N LYS A 14 8.026 -15.610 -10.804 1.00 61.31 N ATOM 206 CA LYS A 14 8.163 -15.573 -12.256 1.00 24.13 C ATOM 207 C LYS A 14 9.191 -16.595 -12.731 1.00 74.23 C ATOM 208 O LYS A 14 9.108 -17.096 -13.853 1.00 64.00 O ATOM 209 CB LYS A 14 8.570 -14.172 -12.715 1.00 55.21 C ATOM 210 CG LYS A 14 8.472 -13.972 -14.218 1.00 43.13 C ATOM 211 CD LYS A 14 8.125 -12.534 -14.568 1.00 15.10 C ATOM 212 CE LYS A 14 6.631 -12.276 -14.442 1.00 0.23 C ATOM 213 NZ LYS A 14 6.194 -11.127 -15.282 1.00 52.31 N1+ ATOM 0 H LYS A 14 8.179 -14.713 -10.343 1.00 61.31 H new ATOM 0 HA LYS A 14 7.197 -15.825 -12.694 1.00 24.13 H new ATOM 0 HB2 LYS A 14 7.937 -13.437 -12.217 1.00 55.21 H new ATOM 0 HB3 LYS A 14 9.594 -13.978 -12.397 1.00 55.21 H new ATOM 0 HG2 LYS A 14 9.419 -14.242 -14.684 1.00 43.13 H new ATOM 0 HG3 LYS A 14 7.713 -14.640 -14.626 1.00 43.13 H new ATOM 0 HD2 LYS A 14 8.669 -11.857 -13.910 1.00 15.10 H new ATOM 0 HD3 LYS A 14 8.448 -12.318 -15.586 1.00 15.10 H new ATOM 0 HE2 LYS A 14 6.082 -13.170 -14.736 1.00 0.23 H new ATOM 0 HE3 LYS A 14 6.383 -12.078 -13.399 1.00 0.23 H new ATOM 0 HZ1 LYS A 14 5.170 -10.984 -15.168 1.00 52.31 H new ATOM 0 HZ2 LYS A 14 6.699 -10.268 -14.985 1.00 52.31 H new ATOM 0 HZ3 LYS A 14 6.407 -11.326 -16.280 1.00 52.31 H new ATOM 227 N ARG A 15 10.157 -16.899 -11.871 1.00 24.20 N ATOM 228 CA ARG A 15 11.200 -17.862 -12.204 1.00 2.23 C ATOM 229 C ARG A 15 10.679 -19.291 -12.091 1.00 74.55 C ATOM 230 O ARG A 15 11.049 -20.163 -12.877 1.00 13.42 O ATOM 231 CB ARG A 15 12.409 -17.674 -11.286 1.00 52.33 C ATOM 232 CG ARG A 15 13.632 -17.116 -11.994 1.00 60.13 C ATOM 233 CD ARG A 15 13.377 -15.715 -12.525 1.00 64.22 C ATOM 234 NE ARG A 15 12.818 -15.734 -13.874 1.00 31.41 N ATOM 235 CZ ARG A 15 13.552 -15.885 -14.971 1.00 3.45 C ATOM 236 NH1 ARG A 15 14.867 -16.032 -14.879 1.00 71.10 N1+ ATOM 237 NH2 ARG A 15 12.970 -15.892 -16.164 1.00 54.20 N ATOM 0 H ARG A 15 10.239 -16.493 -10.939 1.00 24.20 H new ATOM 0 HA ARG A 15 11.505 -17.686 -13.236 1.00 2.23 H new ATOM 0 HB2 ARG A 15 12.135 -17.004 -10.471 1.00 52.33 H new ATOM 0 HB3 ARG A 15 12.666 -18.633 -10.837 1.00 52.33 H new ATOM 0 HG2 ARG A 15 14.476 -17.097 -11.304 1.00 60.13 H new ATOM 0 HG3 ARG A 15 13.909 -17.774 -12.818 1.00 60.13 H new ATOM 0 HD2 ARG A 15 12.692 -15.193 -11.856 1.00 64.22 H new ATOM 0 HD3 ARG A 15 14.311 -15.153 -12.528 1.00 64.22 H new ATOM 0 HE ARG A 15 11.809 -15.625 -13.980 1.00 31.41 H new ATOM 0 HH11 ARG A 15 15.318 -16.029 -13.964 1.00 71.10 H new ATOM 0 HH12 ARG A 15 15.428 -16.148 -15.723 1.00 71.10 H new ATOM 0 HH21 ARG A 15 11.959 -15.781 -16.239 1.00 54.20 H new ATOM 0 HH22 ARG A 15 13.534 -16.008 -17.006 1.00 54.20 H new ATOM 251 N LEU A 16 9.817 -19.524 -11.107 1.00 62.42 N ATOM 252 CA LEU A 16 9.243 -20.848 -10.889 1.00 42.54 C ATOM 253 C LEU A 16 8.244 -21.196 -11.987 1.00 3.14 C ATOM 254 O LEU A 16 7.926 -22.365 -12.202 1.00 45.05 O ATOM 255 CB LEU A 16 8.560 -20.910 -9.522 1.00 71.15 C ATOM 256 CG LEU A 16 7.076 -20.540 -9.496 1.00 53.24 C ATOM 257 CD1 LEU A 16 6.219 -21.748 -9.847 1.00 44.00 C ATOM 258 CD2 LEU A 16 6.689 -19.986 -8.134 1.00 22.33 C ATOM 0 H LEU A 16 9.500 -18.813 -10.447 1.00 62.42 H new ATOM 0 HA LEU A 16 10.052 -21.577 -10.917 1.00 42.54 H new ATOM 0 HB2 LEU A 16 8.669 -21.921 -9.129 1.00 71.15 H new ATOM 0 HB3 LEU A 16 9.092 -20.245 -8.842 1.00 71.15 H new ATOM 0 HG LEU A 16 6.900 -19.766 -10.243 1.00 53.24 H new ATOM 0 HD11 LEU A 16 5.166 -21.466 -9.824 1.00 44.00 H new ATOM 0 HD12 LEU A 16 6.478 -22.100 -10.845 1.00 44.00 H new ATOM 0 HD13 LEU A 16 6.398 -22.544 -9.124 1.00 44.00 H new ATOM 0 HD21 LEU A 16 5.630 -19.728 -8.134 1.00 22.33 H new ATOM 0 HD22 LEU A 16 6.880 -20.738 -7.368 1.00 22.33 H new ATOM 0 HD23 LEU A 16 7.280 -19.095 -7.923 1.00 22.33 H new ATOM 270 N GLU A 17 7.754 -20.173 -12.680 1.00 24.21 N ATOM 271 CA GLU A 17 6.791 -20.372 -13.757 1.00 73.03 C ATOM 272 C GLU A 17 7.503 -20.617 -15.085 1.00 53.54 C ATOM 273 O GLU A 17 6.877 -20.991 -16.077 1.00 53.11 O ATOM 274 CB GLU A 17 5.869 -19.157 -13.878 1.00 62.44 C ATOM 275 CG GLU A 17 5.144 -18.813 -12.587 1.00 32.22 C ATOM 276 CD GLU A 17 4.110 -17.719 -12.772 1.00 55.30 C ATOM 277 OE1 GLU A 17 3.705 -17.475 -13.927 1.00 71.21 O1- ATOM 278 OE2 GLU A 17 3.707 -17.108 -11.761 1.00 64.43 O ATOM 0 H GLU A 17 8.008 -19.199 -12.515 1.00 24.21 H new ATOM 0 HA GLU A 17 6.193 -21.251 -13.517 1.00 73.03 H new ATOM 0 HB2 GLU A 17 6.457 -18.296 -14.196 1.00 62.44 H new ATOM 0 HB3 GLU A 17 5.133 -19.346 -14.659 1.00 62.44 H new ATOM 0 HG2 GLU A 17 4.656 -19.707 -12.199 1.00 32.22 H new ATOM 0 HG3 GLU A 17 5.871 -18.497 -11.839 1.00 32.22 H new ATOM 285 N SER A 18 8.815 -20.403 -15.094 1.00 60.23 N ATOM 286 CA SER A 18 9.612 -20.596 -16.299 1.00 50.12 C ATOM 287 C SER A 18 9.803 -22.081 -16.593 1.00 44.52 C ATOM 288 O SER A 18 9.729 -22.512 -17.744 1.00 12.43 O ATOM 289 CB SER A 18 10.974 -19.915 -16.150 1.00 53.43 C ATOM 290 OG SER A 18 10.856 -18.687 -15.455 1.00 62.03 O ATOM 0 H SER A 18 9.348 -20.096 -14.280 1.00 60.23 H new ATOM 0 HA SER A 18 9.077 -20.144 -17.134 1.00 50.12 H new ATOM 0 HB2 SER A 18 11.658 -20.575 -15.616 1.00 53.43 H new ATOM 0 HB3 SER A 18 11.406 -19.739 -17.135 1.00 53.43 H new ATOM 0 HG SER A 18 11.740 -18.272 -15.371 1.00 62.03 H new ATOM 296 N ILE A 19 10.048 -22.858 -15.543 1.00 61.30 N ATOM 297 CA ILE A 19 10.249 -24.295 -15.687 1.00 41.24 C ATOM 298 C ILE A 19 9.163 -24.917 -16.559 1.00 31.14 C ATOM 299 O ILE A 19 8.029 -25.103 -16.117 1.00 72.51 O ATOM 300 CB ILE A 19 10.261 -25.001 -14.319 1.00 11.12 C ATOM 301 CG1 ILE A 19 11.259 -24.323 -13.378 1.00 33.03 C ATOM 302 CG2 ILE A 19 10.599 -26.475 -14.487 1.00 52.32 C ATOM 303 CD1 ILE A 19 10.611 -23.651 -12.189 1.00 70.51 C ATOM 0 H ILE A 19 10.112 -22.517 -14.584 1.00 61.30 H new ATOM 0 HA ILE A 19 11.219 -24.432 -16.166 1.00 41.24 H new ATOM 0 HB ILE A 19 9.267 -24.924 -13.878 1.00 11.12 H new ATOM 0 HG12 ILE A 19 11.971 -25.067 -13.021 1.00 33.03 H new ATOM 0 HG13 ILE A 19 11.827 -23.581 -13.939 1.00 33.03 H new ATOM 0 HG21 ILE A 19 10.604 -26.961 -13.511 1.00 52.32 H new ATOM 0 HG22 ILE A 19 9.853 -26.949 -15.125 1.00 52.32 H new ATOM 0 HG23 ILE A 19 11.583 -26.573 -14.946 1.00 52.32 H new ATOM 0 HD11 ILE A 19 11.379 -23.192 -11.567 1.00 70.51 H new ATOM 0 HD12 ILE A 19 9.920 -22.883 -12.537 1.00 70.51 H new ATOM 0 HD13 ILE A 19 10.066 -24.392 -11.605 1.00 70.51 H new ATOM 315 N ASP A 20 9.518 -25.237 -17.797 1.00 31.11 N ATOM 316 CA ASP A 20 8.575 -25.842 -18.730 1.00 60.31 C ATOM 317 C ASP A 20 8.007 -27.140 -18.166 1.00 52.22 C ATOM 318 O ASP A 20 8.691 -27.900 -17.479 1.00 2.52 O ATOM 319 CB ASP A 20 9.256 -26.112 -20.074 1.00 72.22 C ATOM 320 CG ASP A 20 8.639 -25.313 -21.206 1.00 72.21 C ATOM 321 OD1 ASP A 20 8.353 -24.115 -21.000 1.00 1.44 O ATOM 322 OD2 ASP A 20 8.443 -25.887 -22.298 1.00 54.13 O1- ATOM 0 H ASP A 20 10.452 -25.088 -18.179 1.00 31.11 H new ATOM 0 HA ASP A 20 7.753 -25.142 -18.881 1.00 60.31 H new ATOM 0 HB2 ASP A 20 10.316 -25.869 -19.997 1.00 72.22 H new ATOM 0 HB3 ASP A 20 9.189 -27.175 -20.305 1.00 72.22 H new ATOM 327 N PRO A 21 6.724 -27.401 -18.458 1.00 3.01 N ATOM 328 CA PRO A 21 6.035 -28.607 -17.988 1.00 51.32 C ATOM 329 C PRO A 21 6.549 -29.872 -18.667 1.00 31.01 C ATOM 330 O PRO A 21 6.235 -30.985 -18.248 1.00 73.52 O ATOM 331 CB PRO A 21 4.575 -28.353 -18.368 1.00 40.32 C ATOM 332 CG PRO A 21 4.642 -27.405 -19.516 1.00 41.15 C ATOM 333 CD PRO A 21 5.848 -26.541 -19.270 1.00 41.12 C ATOM 0 HA PRO A 21 6.190 -28.774 -16.922 1.00 51.32 H new ATOM 0 HB2 PRO A 21 4.072 -29.279 -18.648 1.00 40.32 H new ATOM 0 HB3 PRO A 21 4.017 -27.926 -17.534 1.00 40.32 H new ATOM 0 HG2 PRO A 21 4.733 -27.942 -20.460 1.00 41.15 H new ATOM 0 HG3 PRO A 21 3.736 -26.802 -19.578 1.00 41.15 H new ATOM 0 HD2 PRO A 21 6.328 -26.246 -20.203 1.00 41.12 H new ATOM 0 HD3 PRO A 21 5.585 -25.624 -18.743 1.00 41.12 H new ATOM 341 N ALA A 22 7.343 -29.692 -19.718 1.00 74.25 N ATOM 342 CA ALA A 22 7.903 -30.818 -20.455 1.00 71.25 C ATOM 343 C ALA A 22 9.116 -31.397 -19.733 1.00 24.44 C ATOM 344 O ALA A 22 9.675 -32.409 -20.152 1.00 64.13 O ATOM 345 CB ALA A 22 8.280 -30.391 -21.866 1.00 74.40 C ATOM 0 H ALA A 22 7.613 -28.777 -20.078 1.00 74.25 H new ATOM 0 HA ALA A 22 7.142 -31.596 -20.515 1.00 71.25 H new ATOM 0 HB1 ALA A 22 8.697 -31.242 -22.405 1.00 74.40 H new ATOM 0 HB2 ALA A 22 7.392 -30.031 -22.387 1.00 74.40 H new ATOM 0 HB3 ALA A 22 9.021 -29.593 -21.819 1.00 74.40 H new ATOM 351 N ASN A 23 9.518 -30.746 -18.646 1.00 31.42 N ATOM 352 CA ASN A 23 10.666 -31.195 -17.867 1.00 33.21 C ATOM 353 C ASN A 23 10.819 -30.366 -16.595 1.00 71.22 C ATOM 354 O ASN A 23 11.265 -29.219 -16.640 1.00 21.44 O ATOM 355 CB ASN A 23 11.944 -31.105 -18.704 1.00 24.34 C ATOM 356 CG ASN A 23 13.197 -31.237 -17.861 1.00 24.24 C ATOM 357 OD1 ASN A 23 13.986 -30.297 -17.751 1.00 64.52 O ATOM 358 ND2 ASN A 23 13.388 -32.406 -17.262 1.00 44.13 N ATOM 0 H ASN A 23 9.066 -29.906 -18.285 1.00 31.42 H new ATOM 0 HA ASN A 23 10.497 -32.234 -17.584 1.00 33.21 H new ATOM 0 HB2 ASN A 23 11.935 -31.889 -19.462 1.00 24.34 H new ATOM 0 HB3 ASN A 23 11.963 -30.151 -19.232 1.00 24.34 H new ATOM 0 HD21 ASN A 23 14.215 -32.553 -16.683 1.00 44.13 H new ATOM 0 HD22 ASN A 23 12.708 -33.157 -17.381 1.00 44.13 H new ATOM 365 N ARG A 24 10.447 -30.955 -15.464 1.00 31.34 N ATOM 366 CA ARG A 24 10.542 -30.271 -14.179 1.00 3.31 C ATOM 367 C ARG A 24 11.748 -30.768 -13.388 1.00 41.40 C ATOM 368 O ARG A 24 12.585 -31.504 -13.909 1.00 60.52 O ATOM 369 CB ARG A 24 9.263 -30.485 -13.368 1.00 43.24 C ATOM 370 CG ARG A 24 7.996 -30.097 -14.114 1.00 73.04 C ATOM 371 CD ARG A 24 7.831 -28.587 -14.183 1.00 15.52 C ATOM 372 NE ARG A 24 7.782 -27.981 -12.856 1.00 53.32 N ATOM 373 CZ ARG A 24 6.660 -27.817 -12.163 1.00 20.53 C ATOM 374 NH1 ARG A 24 5.500 -28.213 -12.671 1.00 42.41 N1+ ATOM 375 NH2 ARG A 24 6.696 -27.256 -10.962 1.00 32.13 N ATOM 0 H ARG A 24 10.077 -31.904 -15.410 1.00 31.34 H new ATOM 0 HA ARG A 24 10.668 -29.205 -14.370 1.00 3.31 H new ATOM 0 HB2 ARG A 24 9.197 -31.534 -13.079 1.00 43.24 H new ATOM 0 HB3 ARG A 24 9.325 -29.904 -12.448 1.00 43.24 H new ATOM 0 HG2 ARG A 24 8.027 -30.507 -15.123 1.00 73.04 H new ATOM 0 HG3 ARG A 24 7.131 -30.536 -13.617 1.00 73.04 H new ATOM 0 HD2 ARG A 24 8.659 -28.157 -14.747 1.00 15.52 H new ATOM 0 HD3 ARG A 24 6.917 -28.347 -14.725 1.00 15.52 H new ATOM 0 HE ARG A 24 8.657 -27.666 -12.438 1.00 53.32 H new ATOM 0 HH11 ARG A 24 5.468 -28.644 -13.595 1.00 42.41 H new ATOM 0 HH12 ARG A 24 4.640 -28.086 -12.138 1.00 42.41 H new ATOM 0 HH21 ARG A 24 7.586 -26.950 -10.569 1.00 32.13 H new ATOM 0 HH22 ARG A 24 5.834 -27.131 -10.432 1.00 32.13 H new ATOM 389 N GLN A 25 11.830 -30.358 -12.125 1.00 23.44 N ATOM 390 CA GLN A 25 12.934 -30.760 -11.263 1.00 3.41 C ATOM 391 C GLN A 25 12.418 -31.437 -9.997 1.00 43.32 C ATOM 392 O GLN A 25 12.435 -32.664 -9.886 1.00 3.03 O ATOM 393 CB GLN A 25 13.788 -29.546 -10.893 1.00 73.40 C ATOM 394 CG GLN A 25 15.143 -29.524 -11.581 1.00 65.05 C ATOM 395 CD GLN A 25 15.079 -28.942 -12.979 1.00 54.13 C ATOM 396 OE1 GLN A 25 14.401 -29.478 -13.856 1.00 72.12 O ATOM 397 NE2 GLN A 25 15.787 -27.839 -13.195 1.00 12.31 N ATOM 0 H GLN A 25 11.145 -29.748 -11.678 1.00 23.44 H new ATOM 0 HA GLN A 25 13.548 -31.475 -11.811 1.00 3.41 H new ATOM 0 HB2 GLN A 25 13.244 -28.637 -11.151 1.00 73.40 H new ATOM 0 HB3 GLN A 25 13.938 -29.533 -9.813 1.00 73.40 H new ATOM 0 HG2 GLN A 25 15.841 -28.941 -10.981 1.00 65.05 H new ATOM 0 HG3 GLN A 25 15.537 -30.539 -11.632 1.00 65.05 H new ATOM 0 HE21 GLN A 25 16.335 -27.428 -12.439 1.00 12.31 H new ATOM 0 HE22 GLN A 25 15.783 -27.403 -14.117 1.00 12.31 H new ATOM 406 N VAL A 26 11.959 -30.631 -9.045 1.00 53.35 N ATOM 407 CA VAL A 26 11.437 -31.152 -7.788 1.00 53.24 C ATOM 408 C VAL A 26 10.169 -30.415 -7.371 1.00 23.30 C ATOM 409 O VAL A 26 10.174 -29.195 -7.211 1.00 23.40 O ATOM 410 CB VAL A 26 12.478 -31.040 -6.658 1.00 62.44 C ATOM 411 CG1 VAL A 26 11.903 -31.558 -5.349 1.00 24.22 C ATOM 412 CG2 VAL A 26 13.748 -31.791 -7.028 1.00 61.33 C ATOM 0 H VAL A 26 11.938 -29.614 -9.121 1.00 53.35 H new ATOM 0 HA VAL A 26 11.204 -32.204 -7.954 1.00 53.24 H new ATOM 0 HB VAL A 26 12.732 -29.989 -6.524 1.00 62.44 H new ATOM 0 HG11 VAL A 26 12.653 -31.471 -4.563 1.00 24.22 H new ATOM 0 HG12 VAL A 26 11.025 -30.971 -5.080 1.00 24.22 H new ATOM 0 HG13 VAL A 26 11.619 -32.604 -5.465 1.00 24.22 H new ATOM 0 HG21 VAL A 26 14.473 -31.701 -6.219 1.00 61.33 H new ATOM 0 HG22 VAL A 26 13.514 -32.843 -7.191 1.00 61.33 H new ATOM 0 HG23 VAL A 26 14.169 -31.367 -7.940 1.00 61.33 H new ATOM 422 N GLU A 27 9.085 -31.164 -7.198 1.00 51.22 N ATOM 423 CA GLU A 27 7.809 -30.581 -6.800 1.00 53.14 C ATOM 424 C GLU A 27 7.445 -30.988 -5.375 1.00 20.43 C ATOM 425 O GLU A 27 7.425 -32.174 -5.043 1.00 21.25 O ATOM 426 CB GLU A 27 6.703 -31.013 -7.764 1.00 64.43 C ATOM 427 CG GLU A 27 6.939 -30.571 -9.199 1.00 1.54 C ATOM 428 CD GLU A 27 5.921 -31.150 -10.162 1.00 23.31 C ATOM 429 OE1 GLU A 27 6.172 -32.249 -10.700 1.00 13.03 O ATOM 430 OE2 GLU A 27 4.874 -30.505 -10.379 1.00 0.53 O1- ATOM 0 H GLU A 27 9.065 -32.176 -7.327 1.00 51.22 H new ATOM 0 HA GLU A 27 7.908 -29.496 -6.835 1.00 53.14 H new ATOM 0 HB2 GLU A 27 6.613 -32.099 -7.737 1.00 64.43 H new ATOM 0 HB3 GLU A 27 5.753 -30.606 -7.419 1.00 64.43 H new ATOM 0 HG2 GLU A 27 6.904 -29.483 -9.250 1.00 1.54 H new ATOM 0 HG3 GLU A 27 7.939 -30.873 -9.509 1.00 1.54 H new ATOM 437 N HIS A 28 7.159 -29.997 -4.537 1.00 1.34 N ATOM 438 CA HIS A 28 6.795 -30.252 -3.148 1.00 23.23 C ATOM 439 C HIS A 28 6.230 -28.993 -2.495 1.00 12.45 C ATOM 440 O HIS A 28 6.202 -27.924 -3.105 1.00 2.54 O ATOM 441 CB HIS A 28 8.011 -30.745 -2.363 1.00 64.15 C ATOM 442 CG HIS A 28 7.771 -32.031 -1.633 1.00 70.02 C ATOM 443 ND1 HIS A 28 7.110 -33.103 -2.194 1.00 64.13 N ATOM 444 CD2 HIS A 28 8.109 -32.413 -0.379 1.00 51.55 C ATOM 445 CE1 HIS A 28 7.051 -34.089 -1.317 1.00 15.35 C ATOM 446 NE2 HIS A 28 7.650 -33.696 -0.207 1.00 63.45 N ATOM 0 H HIS A 28 7.172 -29.010 -4.795 1.00 1.34 H new ATOM 0 HA HIS A 28 6.026 -31.024 -3.135 1.00 23.23 H new ATOM 0 HB2 HIS A 28 8.847 -30.877 -3.049 1.00 64.15 H new ATOM 0 HB3 HIS A 28 8.305 -29.979 -1.646 1.00 64.15 H new ATOM 0 HD1 HIS A 28 6.726 -33.130 -3.139 1.00 64.13 H new ATOM 0 HD2 HIS A 28 8.640 -31.820 0.350 1.00 51.55 H new ATOM 0 HE1 HIS A 28 6.591 -35.053 -1.480 1.00 15.35 H new ATOM 454 N VAL A 29 5.778 -29.129 -1.252 1.00 54.23 N ATOM 455 CA VAL A 29 5.214 -28.004 -0.517 1.00 31.14 C ATOM 456 C VAL A 29 6.260 -27.356 0.383 1.00 41.44 C ATOM 457 O VAL A 29 6.875 -28.021 1.217 1.00 25.11 O ATOM 458 CB VAL A 29 4.013 -28.442 0.343 1.00 21.50 C ATOM 459 CG1 VAL A 29 3.400 -27.244 1.053 1.00 32.45 C ATOM 460 CG2 VAL A 29 2.976 -29.152 -0.513 1.00 5.11 C ATOM 0 H VAL A 29 5.792 -30.007 -0.734 1.00 54.23 H new ATOM 0 HA VAL A 29 4.877 -27.279 -1.257 1.00 31.14 H new ATOM 0 HB VAL A 29 4.366 -29.142 1.100 1.00 21.50 H new ATOM 0 HG11 VAL A 29 2.553 -27.572 1.656 1.00 32.45 H new ATOM 0 HG12 VAL A 29 4.147 -26.782 1.698 1.00 32.45 H new ATOM 0 HG13 VAL A 29 3.060 -26.518 0.314 1.00 32.45 H new ATOM 0 HG21 VAL A 29 2.135 -29.454 0.111 1.00 5.11 H new ATOM 0 HG22 VAL A 29 2.625 -28.477 -1.294 1.00 5.11 H new ATOM 0 HG23 VAL A 29 3.424 -30.034 -0.970 1.00 5.11 H new ATOM 470 N TYR A 30 6.456 -26.053 0.210 1.00 54.15 N ATOM 471 CA TYR A 30 7.429 -25.314 1.005 1.00 42.42 C ATOM 472 C TYR A 30 6.764 -24.155 1.741 1.00 53.31 C ATOM 473 O TYR A 30 5.726 -23.647 1.314 1.00 71.04 O ATOM 474 CB TYR A 30 8.555 -24.789 0.113 1.00 40.44 C ATOM 475 CG TYR A 30 9.300 -25.877 -0.626 1.00 1.42 C ATOM 476 CD1 TYR A 30 9.877 -26.939 0.060 1.00 23.33 C ATOM 477 CD2 TYR A 30 9.430 -25.843 -2.008 1.00 63.54 C ATOM 478 CE1 TYR A 30 10.560 -27.935 -0.609 1.00 42.43 C ATOM 479 CE2 TYR A 30 10.110 -26.836 -2.687 1.00 50.54 C ATOM 480 CZ TYR A 30 10.673 -27.880 -1.983 1.00 32.12 C ATOM 481 OH TYR A 30 11.353 -28.870 -2.655 1.00 33.15 O ATOM 0 H TYR A 30 5.954 -25.487 -0.474 1.00 54.15 H new ATOM 0 HA TYR A 30 7.849 -25.996 1.744 1.00 42.42 H new ATOM 0 HB2 TYR A 30 8.137 -24.090 -0.612 1.00 40.44 H new ATOM 0 HB3 TYR A 30 9.261 -24.229 0.726 1.00 40.44 H new ATOM 0 HD1 TYR A 30 9.790 -26.986 1.135 1.00 23.33 H new ATOM 0 HD2 TYR A 30 8.992 -25.026 -2.562 1.00 63.54 H new ATOM 0 HE1 TYR A 30 11.003 -28.753 -0.060 1.00 42.43 H new ATOM 0 HE2 TYR A 30 10.200 -26.795 -3.762 1.00 50.54 H new ATOM 0 HH TYR A 30 11.339 -28.682 -3.617 1.00 33.15 H new ATOM 491 N LYS A 31 7.370 -23.740 2.848 1.00 21.53 N ATOM 492 CA LYS A 31 6.839 -22.639 3.644 1.00 33.30 C ATOM 493 C LYS A 31 7.854 -21.505 3.748 1.00 72.40 C ATOM 494 O LYS A 31 9.042 -21.741 3.970 1.00 42.23 O ATOM 495 CB LYS A 31 6.461 -23.130 5.043 1.00 30.01 C ATOM 496 CG LYS A 31 5.721 -22.094 5.872 1.00 12.24 C ATOM 497 CD LYS A 31 4.809 -22.748 6.896 1.00 72.33 C ATOM 498 CE LYS A 31 5.585 -23.202 8.123 1.00 1.42 C ATOM 499 NZ LYS A 31 4.729 -23.972 9.067 1.00 74.42 N1+ ATOM 0 H LYS A 31 8.229 -24.149 3.215 1.00 21.53 H new ATOM 0 HA LYS A 31 5.947 -22.260 3.146 1.00 33.30 H new ATOM 0 HB2 LYS A 31 5.839 -24.021 4.951 1.00 30.01 H new ATOM 0 HB3 LYS A 31 7.367 -23.427 5.572 1.00 30.01 H new ATOM 0 HG2 LYS A 31 6.440 -21.453 6.381 1.00 12.24 H new ATOM 0 HG3 LYS A 31 5.132 -21.454 5.215 1.00 12.24 H new ATOM 0 HD2 LYS A 31 4.032 -22.044 7.195 1.00 72.33 H new ATOM 0 HD3 LYS A 31 4.307 -23.604 6.444 1.00 72.33 H new ATOM 0 HE2 LYS A 31 6.428 -23.819 7.812 1.00 1.42 H new ATOM 0 HE3 LYS A 31 5.998 -22.332 8.634 1.00 1.42 H new ATOM 0 HZ1 LYS A 31 5.295 -24.263 9.890 1.00 74.42 H new ATOM 0 HZ2 LYS A 31 3.938 -23.375 9.384 1.00 74.42 H new ATOM 0 HZ3 LYS A 31 4.355 -24.816 8.587 1.00 74.42 H new ATOM 513 N PHE A 32 7.378 -20.274 3.588 1.00 21.34 N ATOM 514 CA PHE A 32 8.245 -19.104 3.665 1.00 31.43 C ATOM 515 C PHE A 32 7.704 -18.092 4.671 1.00 73.13 C ATOM 516 O PHE A 32 6.594 -17.582 4.519 1.00 30.25 O ATOM 517 CB PHE A 32 8.377 -18.450 2.288 1.00 2.44 C ATOM 518 CG PHE A 32 9.787 -18.421 1.770 1.00 52.35 C ATOM 519 CD1 PHE A 32 10.417 -19.589 1.372 1.00 34.32 C ATOM 520 CD2 PHE A 32 10.483 -17.226 1.682 1.00 25.20 C ATOM 521 CE1 PHE A 32 11.714 -19.566 0.896 1.00 31.04 C ATOM 522 CE2 PHE A 32 11.781 -17.196 1.208 1.00 15.23 C ATOM 523 CZ PHE A 32 12.396 -18.368 0.812 1.00 34.24 C ATOM 0 H PHE A 32 6.397 -20.061 3.404 1.00 21.34 H new ATOM 0 HA PHE A 32 9.229 -19.433 4.000 1.00 31.43 H new ATOM 0 HB2 PHE A 32 7.749 -18.987 1.578 1.00 2.44 H new ATOM 0 HB3 PHE A 32 7.997 -17.430 2.341 1.00 2.44 H new ATOM 0 HD1 PHE A 32 9.888 -20.529 1.435 1.00 34.32 H new ATOM 0 HD2 PHE A 32 10.005 -16.307 1.988 1.00 25.20 H new ATOM 0 HE1 PHE A 32 12.194 -20.484 0.590 1.00 31.04 H new ATOM 0 HE2 PHE A 32 12.313 -16.258 1.147 1.00 15.23 H new ATOM 0 HZ PHE A 32 13.409 -18.347 0.437 1.00 34.24 H new ATOM 533 N ARG A 33 8.497 -17.808 5.699 1.00 2.52 N ATOM 534 CA ARG A 33 8.098 -16.861 6.732 1.00 14.43 C ATOM 535 C ARG A 33 8.713 -15.487 6.476 1.00 75.14 C ATOM 536 O ARG A 33 9.907 -15.373 6.201 1.00 61.42 O ATOM 537 CB ARG A 33 8.518 -17.370 8.113 1.00 2.14 C ATOM 538 CG ARG A 33 8.216 -18.843 8.335 1.00 20.25 C ATOM 539 CD ARG A 33 7.925 -19.136 9.799 1.00 10.22 C ATOM 540 NE ARG A 33 6.691 -19.899 9.969 1.00 11.44 N ATOM 541 CZ ARG A 33 6.196 -20.241 11.154 1.00 10.32 C ATOM 542 NH1 ARG A 33 6.827 -19.890 12.265 1.00 23.32 N1+ ATOM 543 NH2 ARG A 33 5.068 -20.936 11.226 1.00 25.32 N ATOM 0 H ARG A 33 9.419 -18.220 5.838 1.00 2.52 H new ATOM 0 HA ARG A 33 7.012 -16.767 6.703 1.00 14.43 H new ATOM 0 HB2 ARG A 33 9.587 -17.203 8.243 1.00 2.14 H new ATOM 0 HB3 ARG A 33 8.009 -16.784 8.878 1.00 2.14 H new ATOM 0 HG2 ARG A 33 7.360 -19.136 7.727 1.00 20.25 H new ATOM 0 HG3 ARG A 33 9.063 -19.444 8.004 1.00 20.25 H new ATOM 0 HD2 ARG A 33 8.758 -19.692 10.230 1.00 10.22 H new ATOM 0 HD3 ARG A 33 7.850 -18.198 10.349 1.00 10.22 H new ATOM 0 HE ARG A 33 6.182 -20.185 9.133 1.00 11.44 H new ATOM 0 HH11 ARG A 33 7.695 -19.356 12.212 1.00 23.32 H new ATOM 0 HH12 ARG A 33 6.445 -20.154 13.173 1.00 23.32 H new ATOM 0 HH21 ARG A 33 4.581 -21.208 10.372 1.00 25.32 H new ATOM 0 HH22 ARG A 33 4.688 -21.199 12.135 1.00 25.32 H new ATOM 557 N ILE A 34 7.889 -14.449 6.568 1.00 62.22 N ATOM 558 CA ILE A 34 8.351 -13.085 6.348 1.00 24.14 C ATOM 559 C ILE A 34 8.254 -12.257 7.624 1.00 22.22 C ATOM 560 O ILE A 34 7.159 -11.990 8.123 1.00 15.22 O ATOM 561 CB ILE A 34 7.545 -12.390 5.236 1.00 45.40 C ATOM 562 CG1 ILE A 34 7.556 -13.237 3.961 1.00 40.21 C ATOM 563 CG2 ILE A 34 8.106 -11.003 4.961 1.00 73.20 C ATOM 564 CD1 ILE A 34 8.944 -13.636 3.514 1.00 0.34 C ATOM 0 H ILE A 34 6.897 -14.527 6.794 1.00 62.22 H new ATOM 0 HA ILE A 34 9.395 -13.152 6.041 1.00 24.14 H new ATOM 0 HB ILE A 34 6.513 -12.283 5.570 1.00 45.40 H new ATOM 0 HG12 ILE A 34 6.964 -14.137 4.127 1.00 40.21 H new ATOM 0 HG13 ILE A 34 7.071 -12.679 3.160 1.00 40.21 H new ATOM 0 HG21 ILE A 34 7.525 -10.525 4.172 1.00 73.20 H new ATOM 0 HG22 ILE A 34 8.050 -10.401 5.868 1.00 73.20 H new ATOM 0 HG23 ILE A 34 9.146 -11.087 4.645 1.00 73.20 H new ATOM 0 HD11 ILE A 34 8.876 -14.234 2.605 1.00 0.34 H new ATOM 0 HD12 ILE A 34 9.534 -12.741 3.316 1.00 0.34 H new ATOM 0 HD13 ILE A 34 9.425 -14.221 4.298 1.00 0.34 H new ATOM 576 N THR A 35 9.405 -11.851 8.150 1.00 73.35 N ATOM 577 CA THR A 35 9.450 -11.054 9.370 1.00 10.14 C ATOM 578 C THR A 35 9.916 -9.632 9.078 1.00 21.43 C ATOM 579 O THR A 35 10.807 -9.417 8.259 1.00 61.13 O ATOM 580 CB THR A 35 10.386 -11.683 10.418 1.00 42.42 C ATOM 581 OG1 THR A 35 11.727 -11.723 9.918 1.00 61.24 O ATOM 582 CG2 THR A 35 9.930 -13.090 10.775 1.00 21.42 C ATOM 0 H THR A 35 10.319 -12.061 7.750 1.00 73.35 H new ATOM 0 HA THR A 35 8.436 -11.028 9.769 1.00 10.14 H new ATOM 0 HB THR A 35 10.353 -11.068 11.317 1.00 42.42 H new ATOM 0 HG1 THR A 35 12.357 -11.670 10.667 1.00 61.24 H new ATOM 0 HG21 THR A 35 10.606 -13.514 11.517 1.00 21.42 H new ATOM 0 HG22 THR A 35 8.920 -13.052 11.184 1.00 21.42 H new ATOM 0 HG23 THR A 35 9.936 -13.713 9.880 1.00 21.42 H new ATOM 590 N GLN A 36 9.305 -8.664 9.755 1.00 63.41 N ATOM 591 CA GLN A 36 9.657 -7.262 9.569 1.00 14.20 C ATOM 592 C GLN A 36 9.100 -6.405 10.700 1.00 45.14 C ATOM 593 O GLN A 36 7.925 -6.043 10.696 1.00 5.11 O ATOM 594 CB GLN A 36 9.132 -6.757 8.223 1.00 55.11 C ATOM 595 CG GLN A 36 7.923 -7.525 7.716 1.00 62.44 C ATOM 596 CD GLN A 36 6.965 -6.653 6.928 1.00 40.34 C ATOM 597 OE1 GLN A 36 6.566 -5.530 7.517 1.00 43.51 O flip ATOM 598 NE2 GLN A 36 6.587 -6.983 5.804 1.00 20.34 N flip ATOM 0 H GLN A 36 8.564 -8.826 10.437 1.00 63.41 H new ATOM 0 HA GLN A 36 10.744 -7.182 9.580 1.00 14.20 H new ATOM 0 HB2 GLN A 36 8.870 -5.703 8.317 1.00 55.11 H new ATOM 0 HB3 GLN A 36 9.930 -6.822 7.483 1.00 55.11 H new ATOM 0 HG2 GLN A 36 8.259 -8.349 7.087 1.00 62.44 H new ATOM 0 HG3 GLN A 36 7.395 -7.964 8.563 1.00 62.44 H new ATOM 0 HE21 GLN A 36 6.919 -7.854 5.390 1.00 20.34 H new ATOM 0 HE22 GLN A 36 5.942 -6.385 5.287 1.00 20.34 H new ATOM 607 N GLY A 37 9.952 -6.084 11.668 1.00 64.45 N ATOM 608 CA GLY A 37 9.526 -5.272 12.793 1.00 34.24 C ATOM 609 C GLY A 37 9.769 -5.954 14.125 1.00 24.32 C ATOM 610 O GLY A 37 9.591 -5.349 15.182 1.00 10.20 O ATOM 0 H GLY A 37 10.930 -6.372 11.694 1.00 64.45 H new ATOM 0 HA2 GLY A 37 10.058 -4.321 12.773 1.00 34.24 H new ATOM 0 HA3 GLY A 37 8.465 -5.046 12.692 1.00 34.24 H new ATOM 614 N GLY A 38 10.175 -7.219 14.076 1.00 74.12 N ATOM 615 CA GLY A 38 10.435 -7.963 15.294 1.00 13.31 C ATOM 616 C GLY A 38 9.765 -9.323 15.296 1.00 0.22 C ATOM 617 O GLY A 38 10.230 -10.252 15.957 1.00 3.34 O ATOM 0 H GLY A 38 10.328 -7.742 13.214 1.00 74.12 H new ATOM 0 HA2 GLY A 38 11.511 -8.091 15.415 1.00 13.31 H new ATOM 0 HA3 GLY A 38 10.084 -7.387 16.150 1.00 13.31 H new ATOM 621 N LYS A 39 8.667 -9.442 14.557 1.00 34.44 N ATOM 622 CA LYS A 39 7.931 -10.698 14.476 1.00 44.41 C ATOM 623 C LYS A 39 7.395 -10.923 13.065 1.00 41.22 C ATOM 624 O LYS A 39 7.299 -9.989 12.269 1.00 21.13 O ATOM 625 CB LYS A 39 6.776 -10.701 15.479 1.00 12.35 C ATOM 626 CG LYS A 39 6.842 -11.844 16.478 1.00 61.01 C ATOM 627 CD LYS A 39 5.779 -11.705 17.555 1.00 62.52 C ATOM 628 CE LYS A 39 6.041 -12.644 18.722 1.00 2.21 C ATOM 629 NZ LYS A 39 5.195 -13.867 18.652 1.00 31.32 N1+ ATOM 0 H LYS A 39 8.267 -8.683 14.005 1.00 34.44 H new ATOM 0 HA LYS A 39 8.617 -11.510 14.719 1.00 44.41 H new ATOM 0 HB2 LYS A 39 6.774 -9.755 16.021 1.00 12.35 H new ATOM 0 HB3 LYS A 39 5.833 -10.759 14.935 1.00 12.35 H new ATOM 0 HG2 LYS A 39 6.711 -12.792 15.957 1.00 61.01 H new ATOM 0 HG3 LYS A 39 7.829 -11.868 16.940 1.00 61.01 H new ATOM 0 HD2 LYS A 39 5.755 -10.676 17.913 1.00 62.52 H new ATOM 0 HD3 LYS A 39 4.798 -11.917 17.129 1.00 62.52 H new ATOM 0 HE2 LYS A 39 7.093 -12.930 18.729 1.00 2.21 H new ATOM 0 HE3 LYS A 39 5.847 -12.122 19.659 1.00 2.21 H new ATOM 0 HZ1 LYS A 39 5.404 -14.481 19.465 1.00 31.32 H new ATOM 0 HZ2 LYS A 39 4.191 -13.596 18.672 1.00 31.32 H new ATOM 0 HZ3 LYS A 39 5.398 -14.380 17.770 1.00 31.32 H new ATOM 643 N VAL A 40 7.044 -12.169 12.763 1.00 13.33 N ATOM 644 CA VAL A 40 6.515 -12.517 11.450 1.00 41.44 C ATOM 645 C VAL A 40 5.252 -11.721 11.138 1.00 63.31 C ATOM 646 O VAL A 40 4.350 -11.616 11.970 1.00 63.13 O ATOM 647 CB VAL A 40 6.197 -14.021 11.353 1.00 45.24 C ATOM 648 CG1 VAL A 40 5.632 -14.360 9.982 1.00 55.31 C ATOM 649 CG2 VAL A 40 7.441 -14.848 11.645 1.00 51.40 C ATOM 0 H VAL A 40 7.117 -12.954 13.410 1.00 13.33 H new ATOM 0 HA VAL A 40 7.287 -12.269 10.722 1.00 41.44 H new ATOM 0 HB VAL A 40 5.442 -14.264 12.101 1.00 45.24 H new ATOM 0 HG11 VAL A 40 5.413 -15.427 9.932 1.00 55.31 H new ATOM 0 HG12 VAL A 40 4.716 -13.794 9.816 1.00 55.31 H new ATOM 0 HG13 VAL A 40 6.362 -14.103 9.214 1.00 55.31 H new ATOM 0 HG21 VAL A 40 7.198 -15.908 11.572 1.00 51.40 H new ATOM 0 HG22 VAL A 40 8.219 -14.603 10.922 1.00 51.40 H new ATOM 0 HG23 VAL A 40 7.798 -14.626 12.651 1.00 51.40 H new ATOM 659 N VAL A 41 5.193 -11.163 9.934 1.00 34.35 N ATOM 660 CA VAL A 41 4.040 -10.377 9.510 1.00 44.34 C ATOM 661 C VAL A 41 2.997 -11.256 8.828 1.00 12.15 C ATOM 662 O VAL A 41 1.795 -11.014 8.940 1.00 4.11 O ATOM 663 CB VAL A 41 4.453 -9.248 8.549 1.00 3.41 C ATOM 664 CG1 VAL A 41 5.026 -8.071 9.323 1.00 40.14 C ATOM 665 CG2 VAL A 41 5.452 -9.761 7.523 1.00 22.42 C ATOM 0 H VAL A 41 5.931 -11.240 9.234 1.00 34.35 H new ATOM 0 HA VAL A 41 3.608 -9.937 10.409 1.00 44.34 H new ATOM 0 HB VAL A 41 3.566 -8.904 8.017 1.00 3.41 H new ATOM 0 HG11 VAL A 41 5.312 -7.283 8.627 1.00 40.14 H new ATOM 0 HG12 VAL A 41 4.274 -7.689 10.014 1.00 40.14 H new ATOM 0 HG13 VAL A 41 5.902 -8.396 9.883 1.00 40.14 H new ATOM 0 HG21 VAL A 41 5.733 -8.950 6.852 1.00 22.42 H new ATOM 0 HG22 VAL A 41 6.340 -10.133 8.034 1.00 22.42 H new ATOM 0 HG23 VAL A 41 5.000 -10.568 6.947 1.00 22.42 H new ATOM 675 N LYS A 42 3.466 -12.277 8.119 1.00 42.43 N ATOM 676 CA LYS A 42 2.575 -13.196 7.418 1.00 33.55 C ATOM 677 C LYS A 42 3.353 -14.370 6.835 1.00 43.41 C ATOM 678 O LYS A 42 4.508 -14.225 6.436 1.00 1.03 O ATOM 679 CB LYS A 42 1.828 -12.461 6.303 1.00 52.12 C ATOM 680 CG LYS A 42 0.326 -12.388 6.522 1.00 64.32 C ATOM 681 CD LYS A 42 -0.161 -10.949 6.570 1.00 52.31 C ATOM 682 CE LYS A 42 -0.709 -10.592 7.944 1.00 23.22 C ATOM 683 NZ LYS A 42 -2.111 -10.098 7.870 1.00 13.02 N1+ ATOM 0 H LYS A 42 4.458 -12.490 8.014 1.00 42.43 H new ATOM 0 HA LYS A 42 1.854 -13.584 8.137 1.00 33.55 H new ATOM 0 HB2 LYS A 42 2.224 -11.449 6.218 1.00 52.12 H new ATOM 0 HB3 LYS A 42 2.025 -12.961 5.355 1.00 52.12 H new ATOM 0 HG2 LYS A 42 -0.186 -12.920 5.720 1.00 64.32 H new ATOM 0 HG3 LYS A 42 0.068 -12.892 7.454 1.00 64.32 H new ATOM 0 HD2 LYS A 42 0.660 -10.277 6.319 1.00 52.31 H new ATOM 0 HD3 LYS A 42 -0.936 -10.801 5.818 1.00 52.31 H new ATOM 0 HE2 LYS A 42 -0.666 -11.468 8.591 1.00 23.22 H new ATOM 0 HE3 LYS A 42 -0.078 -9.828 8.399 1.00 23.22 H new ATOM 0 HZ1 LYS A 42 -2.448 -9.865 8.826 1.00 13.02 H new ATOM 0 HZ2 LYS A 42 -2.148 -9.247 7.273 1.00 13.02 H new ATOM 0 HZ3 LYS A 42 -2.718 -10.836 7.459 1.00 13.02 H new ATOM 697 N ASN A 43 2.712 -15.533 6.787 1.00 34.54 N ATOM 698 CA ASN A 43 3.346 -16.734 6.252 1.00 55.25 C ATOM 699 C ASN A 43 3.157 -16.819 4.741 1.00 40.53 C ATOM 700 O ASN A 43 2.288 -16.155 4.175 1.00 31.40 O ATOM 701 CB ASN A 43 2.767 -17.982 6.920 1.00 53.41 C ATOM 702 CG ASN A 43 3.821 -18.783 7.659 1.00 44.33 C ATOM 703 OD1 ASN A 43 4.402 -19.720 7.110 1.00 24.42 O ATOM 704 ND2 ASN A 43 4.075 -18.418 8.911 1.00 72.11 N ATOM 0 H ASN A 43 1.755 -15.670 7.112 1.00 34.54 H new ATOM 0 HA ASN A 43 4.413 -16.678 6.466 1.00 55.25 H new ATOM 0 HB2 ASN A 43 1.983 -17.687 7.618 1.00 53.41 H new ATOM 0 HB3 ASN A 43 2.300 -18.612 6.163 1.00 53.41 H new ATOM 0 HD21 ASN A 43 4.775 -18.920 9.457 1.00 72.11 H new ATOM 0 HD22 ASN A 43 3.570 -17.635 9.327 1.00 72.11 H new ATOM 711 N TRP A 44 3.976 -17.640 4.094 1.00 22.12 N ATOM 712 CA TRP A 44 3.900 -17.814 2.647 1.00 23.21 C ATOM 713 C TRP A 44 4.042 -19.283 2.267 1.00 15.33 C ATOM 714 O TRP A 44 4.717 -20.050 2.953 1.00 44.21 O ATOM 715 CB TRP A 44 4.986 -16.987 1.956 1.00 45.14 C ATOM 716 CG TRP A 44 4.458 -15.752 1.291 1.00 71.55 C ATOM 717 CD1 TRP A 44 4.202 -15.584 -0.040 1.00 73.33 C ATOM 718 CD2 TRP A 44 4.126 -14.512 1.926 1.00 22.02 C ATOM 719 NE1 TRP A 44 3.730 -14.313 -0.270 1.00 52.22 N ATOM 720 CE2 TRP A 44 3.673 -13.637 0.919 1.00 25.04 C ATOM 721 CE3 TRP A 44 4.164 -14.057 3.246 1.00 55.22 C ATOM 722 CZ2 TRP A 44 3.264 -12.335 1.194 1.00 62.41 C ATOM 723 CZ3 TRP A 44 3.759 -12.764 3.517 1.00 62.30 C ATOM 724 CH2 TRP A 44 3.313 -11.915 2.495 1.00 1.02 C ATOM 0 H TRP A 44 4.701 -18.196 4.548 1.00 22.12 H new ATOM 0 HA TRP A 44 2.922 -17.466 2.315 1.00 23.21 H new ATOM 0 HB2 TRP A 44 5.739 -16.702 2.691 1.00 45.14 H new ATOM 0 HB3 TRP A 44 5.486 -17.606 1.212 1.00 45.14 H new ATOM 0 HD1 TRP A 44 4.349 -16.338 -0.799 1.00 73.33 H new ATOM 0 HE1 TRP A 44 3.465 -13.935 -1.180 1.00 52.22 H new ATOM 0 HE3 TRP A 44 4.504 -14.704 4.041 1.00 55.22 H new ATOM 0 HZ2 TRP A 44 2.920 -11.679 0.408 1.00 62.41 H new ATOM 0 HZ3 TRP A 44 3.787 -12.401 4.534 1.00 62.30 H new ATOM 0 HH2 TRP A 44 3.002 -10.910 2.739 1.00 1.02 H new ATOM 735 N VAL A 45 3.402 -19.670 1.167 1.00 5.25 N ATOM 736 CA VAL A 45 3.459 -21.048 0.695 1.00 60.54 C ATOM 737 C VAL A 45 3.959 -21.116 -0.743 1.00 5.42 C ATOM 738 O VAL A 45 3.575 -20.303 -1.584 1.00 33.13 O ATOM 739 CB VAL A 45 2.079 -21.727 0.779 1.00 52.33 C ATOM 740 CG1 VAL A 45 2.064 -23.009 -0.040 1.00 0.31 C ATOM 741 CG2 VAL A 45 1.711 -22.006 2.228 1.00 33.43 C ATOM 0 H VAL A 45 2.839 -19.048 0.587 1.00 5.25 H new ATOM 0 HA VAL A 45 4.157 -21.577 1.345 1.00 60.54 H new ATOM 0 HB VAL A 45 1.334 -21.050 0.362 1.00 52.33 H new ATOM 0 HG11 VAL A 45 1.081 -23.475 0.031 1.00 0.31 H new ATOM 0 HG12 VAL A 45 2.281 -22.777 -1.083 1.00 0.31 H new ATOM 0 HG13 VAL A 45 2.819 -23.695 0.344 1.00 0.31 H new ATOM 0 HG21 VAL A 45 0.733 -22.486 2.269 1.00 33.43 H new ATOM 0 HG22 VAL A 45 2.457 -22.664 2.673 1.00 33.43 H new ATOM 0 HG23 VAL A 45 1.678 -21.068 2.782 1.00 33.43 H new ATOM 751 N MET A 46 4.820 -22.090 -1.019 1.00 62.23 N ATOM 752 CA MET A 46 5.373 -22.265 -2.358 1.00 35.14 C ATOM 753 C MET A 46 4.648 -23.380 -3.103 1.00 72.04 C ATOM 754 O MET A 46 4.959 -24.559 -2.931 1.00 51.41 O ATOM 755 CB MET A 46 6.868 -22.576 -2.278 1.00 33.01 C ATOM 756 CG MET A 46 7.731 -21.631 -3.099 1.00 43.13 C ATOM 757 SD MET A 46 9.466 -22.122 -3.129 1.00 65.24 S ATOM 758 CE MET A 46 10.217 -20.763 -2.236 1.00 25.52 C ATOM 0 H MET A 46 5.150 -22.770 -0.334 1.00 62.23 H new ATOM 0 HA MET A 46 5.232 -21.334 -2.908 1.00 35.14 H new ATOM 0 HB2 MET A 46 7.185 -22.531 -1.236 1.00 33.01 H new ATOM 0 HB3 MET A 46 7.037 -23.598 -2.619 1.00 33.01 H new ATOM 0 HG2 MET A 46 7.351 -21.593 -4.120 1.00 43.13 H new ATOM 0 HG3 MET A 46 7.650 -20.624 -2.690 1.00 43.13 H new ATOM 0 HE1 MET A 46 11.030 -21.140 -1.616 1.00 25.52 H new ATOM 0 HE2 MET A 46 10.610 -20.035 -2.945 1.00 25.52 H new ATOM 0 HE3 MET A 46 9.469 -20.286 -1.603 1.00 25.52 H new ATOM 768 N ASP A 47 3.681 -23.002 -3.932 1.00 71.12 N ATOM 769 CA ASP A 47 2.913 -23.970 -4.705 1.00 32.40 C ATOM 770 C ASP A 47 3.712 -24.463 -5.907 1.00 53.15 C ATOM 771 O ASP A 47 3.493 -24.022 -7.035 1.00 2.25 O ATOM 772 CB ASP A 47 1.594 -23.351 -5.172 1.00 13.44 C ATOM 773 CG ASP A 47 0.482 -24.376 -5.285 1.00 55.42 C ATOM 774 OD1 ASP A 47 0.778 -25.535 -5.639 1.00 11.32 O1- ATOM 775 OD2 ASP A 47 -0.684 -24.016 -5.020 1.00 72.40 O ATOM 0 H ASP A 47 3.410 -22.031 -4.086 1.00 71.12 H new ATOM 0 HA ASP A 47 2.697 -24.823 -4.061 1.00 32.40 H new ATOM 0 HB2 ASP A 47 1.295 -22.570 -4.473 1.00 13.44 H new ATOM 0 HB3 ASP A 47 1.743 -22.872 -6.140 1.00 13.44 H new ATOM 780 N LEU A 48 4.641 -25.379 -5.657 1.00 3.45 N ATOM 781 CA LEU A 48 5.475 -25.932 -6.719 1.00 34.13 C ATOM 782 C LEU A 48 4.687 -26.922 -7.572 1.00 74.54 C ATOM 783 O LEU A 48 5.117 -27.300 -8.662 1.00 65.54 O ATOM 784 CB LEU A 48 6.704 -26.621 -6.124 1.00 41.41 C ATOM 785 CG LEU A 48 7.892 -25.713 -5.802 1.00 71.10 C ATOM 786 CD1 LEU A 48 8.768 -25.525 -7.031 1.00 72.14 C ATOM 787 CD2 LEU A 48 7.409 -24.368 -5.278 1.00 24.33 C ATOM 0 H LEU A 48 4.836 -25.754 -4.729 1.00 3.45 H new ATOM 0 HA LEU A 48 5.800 -25.109 -7.356 1.00 34.13 H new ATOM 0 HB2 LEU A 48 6.403 -27.130 -5.209 1.00 41.41 H new ATOM 0 HB3 LEU A 48 7.038 -27.390 -6.821 1.00 41.41 H new ATOM 0 HG LEU A 48 8.489 -26.190 -5.025 1.00 71.10 H new ATOM 0 HD11 LEU A 48 9.608 -24.876 -6.783 1.00 72.14 H new ATOM 0 HD12 LEU A 48 9.143 -26.493 -7.362 1.00 72.14 H new ATOM 0 HD13 LEU A 48 8.182 -25.070 -7.830 1.00 72.14 H new ATOM 0 HD21 LEU A 48 8.268 -23.735 -5.054 1.00 24.33 H new ATOM 0 HD22 LEU A 48 6.789 -23.885 -6.033 1.00 24.33 H new ATOM 0 HD23 LEU A 48 6.824 -24.520 -4.371 1.00 24.33 H new ATOM 799 N LYS A 49 3.530 -27.337 -7.068 1.00 53.41 N ATOM 800 CA LYS A 49 2.679 -28.280 -7.783 1.00 44.45 C ATOM 801 C LYS A 49 1.890 -27.576 -8.882 1.00 13.33 C ATOM 802 O LYS A 49 1.844 -28.040 -10.021 1.00 1.23 O ATOM 803 CB LYS A 49 1.716 -28.969 -6.812 1.00 43.22 C ATOM 804 CG LYS A 49 1.776 -30.485 -6.868 1.00 30.32 C ATOM 805 CD LYS A 49 0.422 -31.085 -7.208 1.00 53.45 C ATOM 806 CE LYS A 49 0.361 -32.563 -6.852 1.00 64.21 C ATOM 807 NZ LYS A 49 0.251 -32.775 -5.382 1.00 62.40 N1+ ATOM 0 H LYS A 49 3.160 -27.035 -6.167 1.00 53.41 H new ATOM 0 HA LYS A 49 3.320 -29.031 -8.244 1.00 44.45 H new ATOM 0 HB2 LYS A 49 1.942 -28.642 -5.797 1.00 43.22 H new ATOM 0 HB3 LYS A 49 0.699 -28.646 -7.032 1.00 43.22 H new ATOM 0 HG2 LYS A 49 2.509 -30.794 -7.613 1.00 30.32 H new ATOM 0 HG3 LYS A 49 2.116 -30.872 -5.907 1.00 30.32 H new ATOM 0 HD2 LYS A 49 -0.360 -30.548 -6.671 1.00 53.45 H new ATOM 0 HD3 LYS A 49 0.223 -30.958 -8.272 1.00 53.45 H new ATOM 0 HE2 LYS A 49 -0.493 -33.022 -7.350 1.00 64.21 H new ATOM 0 HE3 LYS A 49 1.254 -33.064 -7.225 1.00 64.21 H new ATOM 0 HZ1 LYS A 49 0.009 -33.768 -5.192 1.00 62.40 H new ATOM 0 HZ2 LYS A 49 1.159 -32.547 -4.929 1.00 62.40 H new ATOM 0 HZ3 LYS A 49 -0.492 -32.158 -4.997 1.00 62.40 H new ATOM 821 N ASN A 50 1.272 -26.453 -8.534 1.00 2.35 N ATOM 822 CA ASN A 50 0.486 -25.683 -9.493 1.00 41.40 C ATOM 823 C ASN A 50 1.350 -24.633 -10.186 1.00 40.41 C ATOM 824 O ASN A 50 0.882 -23.913 -11.068 1.00 2.41 O ATOM 825 CB ASN A 50 -0.693 -25.007 -8.791 1.00 14.33 C ATOM 826 CG ASN A 50 -2.025 -25.375 -9.416 1.00 4.31 C ATOM 827 OD1 ASN A 50 -2.586 -24.612 -10.204 1.00 4.24 O ATOM 828 ND2 ASN A 50 -2.539 -26.549 -9.065 1.00 4.23 N ATOM 0 H ASN A 50 1.300 -26.055 -7.595 1.00 2.35 H new ATOM 0 HA ASN A 50 0.105 -26.370 -10.248 1.00 41.40 H new ATOM 0 HB2 ASN A 50 -0.697 -25.291 -7.739 1.00 14.33 H new ATOM 0 HB3 ASN A 50 -0.563 -23.925 -8.829 1.00 14.33 H new ATOM 0 HD21 ASN A 50 -3.433 -26.850 -9.452 1.00 4.23 H new ATOM 0 HD22 ASN A 50 -2.039 -27.149 -8.409 1.00 4.23 H new ATOM 835 N VAL A 51 2.613 -24.553 -9.780 1.00 64.11 N ATOM 836 CA VAL A 51 3.543 -23.593 -10.364 1.00 54.52 C ATOM 837 C VAL A 51 3.176 -22.166 -9.973 1.00 42.10 C ATOM 838 O VAL A 51 3.123 -21.272 -10.818 1.00 10.33 O ATOM 839 CB VAL A 51 3.573 -23.702 -11.900 1.00 71.44 C ATOM 840 CG1 VAL A 51 4.834 -23.060 -12.456 1.00 71.12 C ATOM 841 CG2 VAL A 51 3.468 -25.155 -12.333 1.00 50.43 C ATOM 0 H VAL A 51 3.016 -25.141 -9.050 1.00 64.11 H new ATOM 0 HA VAL A 51 4.532 -23.831 -9.972 1.00 54.52 H new ATOM 0 HB VAL A 51 2.714 -23.165 -12.302 1.00 71.44 H new ATOM 0 HG11 VAL A 51 4.838 -23.147 -13.543 1.00 71.12 H new ATOM 0 HG12 VAL A 51 4.860 -22.007 -12.176 1.00 71.12 H new ATOM 0 HG13 VAL A 51 5.710 -23.566 -12.049 1.00 71.12 H new ATOM 0 HG21 VAL A 51 3.491 -25.213 -13.421 1.00 50.43 H new ATOM 0 HG22 VAL A 51 4.306 -25.719 -11.922 1.00 50.43 H new ATOM 0 HG23 VAL A 51 2.532 -25.577 -11.967 1.00 50.43 H new ATOM 851 N LYS A 52 2.924 -21.958 -8.685 1.00 54.43 N ATOM 852 CA LYS A 52 2.564 -20.638 -8.179 1.00 32.42 C ATOM 853 C LYS A 52 3.058 -20.450 -6.748 1.00 50.21 C ATOM 854 O LYS A 52 3.474 -21.407 -6.094 1.00 11.15 O ATOM 855 CB LYS A 52 1.047 -20.444 -8.235 1.00 21.22 C ATOM 856 CG LYS A 52 0.626 -19.071 -8.727 1.00 10.13 C ATOM 857 CD LYS A 52 0.041 -19.135 -10.128 1.00 32.21 C ATOM 858 CE LYS A 52 -1.114 -18.159 -10.295 1.00 73.31 C ATOM 859 NZ LYS A 52 -2.329 -18.824 -10.842 1.00 35.03 N1+ ATOM 0 H LYS A 52 2.962 -22.687 -7.972 1.00 54.43 H new ATOM 0 HA LYS A 52 3.044 -19.891 -8.812 1.00 32.42 H new ATOM 0 HB2 LYS A 52 0.616 -21.202 -8.889 1.00 21.22 H new ATOM 0 HB3 LYS A 52 0.632 -20.607 -7.241 1.00 21.22 H new ATOM 0 HG2 LYS A 52 -0.110 -18.649 -8.043 1.00 10.13 H new ATOM 0 HG3 LYS A 52 1.487 -18.402 -8.721 1.00 10.13 H new ATOM 0 HD2 LYS A 52 0.818 -18.909 -10.858 1.00 32.21 H new ATOM 0 HD3 LYS A 52 -0.305 -20.148 -10.333 1.00 32.21 H new ATOM 0 HE2 LYS A 52 -1.350 -17.708 -9.331 1.00 73.31 H new ATOM 0 HE3 LYS A 52 -0.812 -17.350 -10.960 1.00 73.31 H new ATOM 0 HZ1 LYS A 52 -3.093 -18.125 -10.941 1.00 35.03 H new ATOM 0 HZ2 LYS A 52 -2.111 -19.233 -11.773 1.00 35.03 H new ATOM 0 HZ3 LYS A 52 -2.633 -19.579 -10.195 1.00 35.03 H new ATOM 873 N LEU A 53 3.010 -19.213 -6.268 1.00 61.23 N ATOM 874 CA LEU A 53 3.451 -18.900 -4.913 1.00 12.34 C ATOM 875 C LEU A 53 2.410 -18.058 -4.182 1.00 64.35 C ATOM 876 O LEU A 53 2.311 -16.850 -4.397 1.00 64.45 O ATOM 877 CB LEU A 53 4.788 -18.158 -4.951 1.00 22.14 C ATOM 878 CG LEU A 53 5.988 -18.907 -4.367 1.00 22.44 C ATOM 879 CD1 LEU A 53 7.215 -18.715 -5.245 1.00 71.22 C ATOM 880 CD2 LEU A 53 6.268 -18.440 -2.946 1.00 42.33 C ATOM 0 H LEU A 53 2.670 -18.410 -6.797 1.00 61.23 H new ATOM 0 HA LEU A 53 3.577 -19.838 -4.372 1.00 12.34 H new ATOM 0 HB2 LEU A 53 5.012 -17.906 -5.988 1.00 22.14 H new ATOM 0 HB3 LEU A 53 4.674 -17.218 -4.412 1.00 22.14 H new ATOM 0 HG LEU A 53 5.750 -19.970 -4.338 1.00 22.44 H new ATOM 0 HD11 LEU A 53 8.059 -19.255 -4.814 1.00 71.22 H new ATOM 0 HD12 LEU A 53 7.011 -19.099 -6.245 1.00 71.22 H new ATOM 0 HD13 LEU A 53 7.456 -17.654 -5.306 1.00 71.22 H new ATOM 0 HD21 LEU A 53 7.124 -18.983 -2.547 1.00 42.33 H new ATOM 0 HD22 LEU A 53 6.486 -17.372 -2.950 1.00 42.33 H new ATOM 0 HD23 LEU A 53 5.395 -18.630 -2.322 1.00 42.33 H new ATOM 892 N VAL A 54 1.637 -18.704 -3.315 1.00 5.45 N ATOM 893 CA VAL A 54 0.606 -18.015 -2.549 1.00 41.23 C ATOM 894 C VAL A 54 1.061 -17.763 -1.116 1.00 45.12 C ATOM 895 O VAL A 54 2.120 -18.232 -0.700 1.00 72.40 O ATOM 896 CB VAL A 54 -0.707 -18.821 -2.524 1.00 72.04 C ATOM 897 CG1 VAL A 54 -1.049 -19.329 -3.916 1.00 71.10 C ATOM 898 CG2 VAL A 54 -0.605 -19.974 -1.536 1.00 11.01 C ATOM 0 H VAL A 54 1.705 -19.704 -3.126 1.00 5.45 H new ATOM 0 HA VAL A 54 0.429 -17.060 -3.044 1.00 41.23 H new ATOM 0 HB VAL A 54 -1.511 -18.162 -2.197 1.00 72.04 H new ATOM 0 HG11 VAL A 54 -1.979 -19.896 -3.878 1.00 71.10 H new ATOM 0 HG12 VAL A 54 -1.167 -18.483 -4.593 1.00 71.10 H new ATOM 0 HG13 VAL A 54 -0.246 -19.973 -4.276 1.00 71.10 H new ATOM 0 HG21 VAL A 54 -1.541 -20.533 -1.531 1.00 11.01 H new ATOM 0 HG22 VAL A 54 0.210 -20.635 -1.831 1.00 11.01 H new ATOM 0 HG23 VAL A 54 -0.411 -19.582 -0.538 1.00 11.01 H new ATOM 908 N GLU A 55 0.254 -17.018 -0.367 1.00 21.23 N ATOM 909 CA GLU A 55 0.577 -16.703 1.020 1.00 34.21 C ATOM 910 C GLU A 55 -0.311 -17.493 1.977 1.00 31.12 C ATOM 911 O GLU A 55 -1.520 -17.273 2.044 1.00 24.40 O ATOM 912 CB GLU A 55 0.413 -15.204 1.276 1.00 60.31 C ATOM 913 CG GLU A 55 -0.964 -14.671 0.919 1.00 21.34 C ATOM 914 CD GLU A 55 -1.731 -14.176 2.131 1.00 40.15 C ATOM 915 OE1 GLU A 55 -1.566 -14.766 3.218 1.00 73.52 O1- ATOM 916 OE2 GLU A 55 -2.494 -13.198 1.989 1.00 15.53 O ATOM 0 H GLU A 55 -0.626 -16.622 -0.696 1.00 21.23 H new ATOM 0 HA GLU A 55 1.615 -16.984 1.198 1.00 34.21 H new ATOM 0 HB2 GLU A 55 0.610 -15.000 2.329 1.00 60.31 H new ATOM 0 HB3 GLU A 55 1.163 -14.662 0.700 1.00 60.31 H new ATOM 0 HG2 GLU A 55 -0.860 -13.856 0.202 1.00 21.34 H new ATOM 0 HG3 GLU A 55 -1.537 -15.457 0.427 1.00 21.34 H new ATOM 923 N SER A 56 0.299 -18.414 2.717 1.00 73.41 N ATOM 924 CA SER A 56 -0.435 -19.241 3.667 1.00 43.24 C ATOM 925 C SER A 56 0.523 -19.979 4.599 1.00 1.33 C ATOM 926 O SER A 56 1.727 -20.038 4.349 1.00 11.10 O ATOM 927 CB SER A 56 -1.318 -20.246 2.926 1.00 44.34 C ATOM 928 OG SER A 56 -2.663 -19.801 2.874 1.00 12.25 O ATOM 0 H SER A 56 1.300 -18.606 2.677 1.00 73.41 H new ATOM 0 HA SER A 56 -1.067 -18.587 4.267 1.00 43.24 H new ATOM 0 HB2 SER A 56 -0.940 -20.390 1.914 1.00 44.34 H new ATOM 0 HB3 SER A 56 -1.271 -21.214 3.425 1.00 44.34 H new ATOM 0 HG SER A 56 -2.687 -18.867 2.579 1.00 12.25 H new ATOM 934 N ASP A 57 -0.021 -20.539 5.673 1.00 31.32 N ATOM 935 CA ASP A 57 0.783 -21.274 6.642 1.00 71.22 C ATOM 936 C ASP A 57 0.239 -22.685 6.841 1.00 51.13 C ATOM 937 O ASP A 57 -0.893 -22.868 7.289 1.00 50.20 O ATOM 938 CB ASP A 57 0.811 -20.533 7.980 1.00 63.23 C ATOM 939 CG ASP A 57 -0.279 -19.485 8.085 1.00 3.54 C ATOM 940 OD1 ASP A 57 -0.152 -18.428 7.432 1.00 34.13 O ATOM 941 OD2 ASP A 57 -1.261 -19.724 8.819 1.00 2.01 O1- ATOM 0 H ASP A 57 -1.016 -20.498 5.895 1.00 31.32 H new ATOM 0 HA ASP A 57 1.799 -21.346 6.253 1.00 71.22 H new ATOM 0 HB2 ASP A 57 0.699 -21.251 8.792 1.00 63.23 H new ATOM 0 HB3 ASP A 57 1.783 -20.056 8.107 1.00 63.23 H new ATOM 946 N ASP A 58 1.052 -23.680 6.503 1.00 42.15 N ATOM 947 CA ASP A 58 0.653 -25.075 6.643 1.00 13.22 C ATOM 948 C ASP A 58 1.868 -25.967 6.881 1.00 50.02 C ATOM 949 O ASP A 58 3.003 -25.568 6.623 1.00 32.03 O ATOM 950 CB ASP A 58 -0.100 -25.541 5.396 1.00 32.33 C ATOM 951 CG ASP A 58 -0.888 -24.422 4.743 1.00 34.24 C ATOM 952 OD1 ASP A 58 -0.273 -23.599 4.034 1.00 62.33 O ATOM 953 OD2 ASP A 58 -2.119 -24.370 4.942 1.00 21.22 O1- ATOM 0 H ASP A 58 1.992 -23.546 6.130 1.00 42.15 H new ATOM 0 HA ASP A 58 -0.007 -25.152 7.507 1.00 13.22 H new ATOM 0 HB2 ASP A 58 0.611 -25.948 4.677 1.00 32.33 H new ATOM 0 HB3 ASP A 58 -0.779 -26.350 5.666 1.00 32.33 H new ATOM 958 N ALA A 59 1.621 -27.175 7.376 1.00 54.42 N ATOM 959 CA ALA A 59 2.694 -28.124 7.649 1.00 64.04 C ATOM 960 C ALA A 59 3.424 -28.510 6.367 1.00 23.53 C ATOM 961 O ALA A 59 3.017 -29.436 5.666 1.00 64.14 O ATOM 962 CB ALA A 59 2.141 -29.362 8.338 1.00 20.01 C ATOM 0 H ALA A 59 0.687 -27.520 7.596 1.00 54.42 H new ATOM 0 HA ALA A 59 3.412 -27.643 8.314 1.00 64.04 H new ATOM 0 HB1 ALA A 59 2.953 -30.062 8.536 1.00 20.01 H new ATOM 0 HB2 ALA A 59 1.672 -29.076 9.279 1.00 20.01 H new ATOM 0 HB3 ALA A 59 1.401 -29.837 7.694 1.00 20.01 H new ATOM 968 N ALA A 60 4.501 -27.792 6.066 1.00 25.42 N ATOM 969 CA ALA A 60 5.288 -28.062 4.869 1.00 52.24 C ATOM 970 C ALA A 60 6.490 -28.944 5.189 1.00 52.10 C ATOM 971 O ALA A 60 7.012 -28.917 6.304 1.00 32.51 O ATOM 972 CB ALA A 60 5.744 -26.757 4.232 1.00 60.25 C ATOM 0 H ALA A 60 4.848 -27.019 6.634 1.00 25.42 H new ATOM 0 HA ALA A 60 4.655 -28.598 4.162 1.00 52.24 H new ATOM 0 HB1 ALA A 60 6.331 -26.973 3.339 1.00 60.25 H new ATOM 0 HB2 ALA A 60 4.873 -26.162 3.958 1.00 60.25 H new ATOM 0 HB3 ALA A 60 6.356 -26.200 4.942 1.00 60.25 H new ATOM 978 N GLU A 61 6.924 -29.725 4.204 1.00 12.15 N ATOM 979 CA GLU A 61 8.064 -30.616 4.383 1.00 60.24 C ATOM 980 C GLU A 61 9.341 -29.822 4.641 1.00 60.45 C ATOM 981 O GLU A 61 10.320 -30.352 5.165 1.00 34.32 O ATOM 982 CB GLU A 61 8.243 -31.505 3.150 1.00 40.01 C ATOM 983 CG GLU A 61 7.657 -32.897 3.314 1.00 60.43 C ATOM 984 CD GLU A 61 6.154 -32.879 3.504 1.00 63.55 C ATOM 985 OE1 GLU A 61 5.448 -32.375 2.606 1.00 4.32 O1- ATOM 986 OE2 GLU A 61 5.682 -33.370 4.551 1.00 10.35 O ATOM 0 H GLU A 61 6.504 -29.758 3.275 1.00 12.15 H new ATOM 0 HA GLU A 61 7.867 -31.246 5.251 1.00 60.24 H new ATOM 0 HB2 GLU A 61 7.775 -31.021 2.293 1.00 40.01 H new ATOM 0 HB3 GLU A 61 9.306 -31.591 2.926 1.00 40.01 H new ATOM 0 HG2 GLU A 61 7.901 -33.495 2.436 1.00 60.43 H new ATOM 0 HG3 GLU A 61 8.122 -33.384 4.171 1.00 60.43 H new ATOM 993 N ALA A 62 9.323 -28.546 4.268 1.00 4.02 N ATOM 994 CA ALA A 62 10.477 -27.677 4.459 1.00 60.23 C ATOM 995 C ALA A 62 10.047 -26.277 4.880 1.00 52.32 C ATOM 996 O ALA A 62 9.255 -25.626 4.196 1.00 12.21 O ATOM 997 CB ALA A 62 11.308 -27.616 3.186 1.00 14.02 C ATOM 0 H ALA A 62 8.521 -28.092 3.832 1.00 4.02 H new ATOM 0 HA ALA A 62 11.088 -28.096 5.259 1.00 60.23 H new ATOM 0 HB1 ALA A 62 12.167 -26.963 3.343 1.00 14.02 H new ATOM 0 HB2 ALA A 62 11.655 -28.617 2.930 1.00 14.02 H new ATOM 0 HB3 ALA A 62 10.698 -27.224 2.372 1.00 14.02 H new ATOM 1003 N THR A 63 10.571 -25.816 6.011 1.00 64.23 N ATOM 1004 CA THR A 63 10.239 -24.493 6.524 1.00 11.41 C ATOM 1005 C THR A 63 11.384 -23.512 6.297 1.00 73.24 C ATOM 1006 O THR A 63 12.534 -23.794 6.637 1.00 53.04 O ATOM 1007 CB THR A 63 9.909 -24.539 8.029 1.00 31.34 C ATOM 1008 OG1 THR A 63 8.753 -25.354 8.251 1.00 62.11 O ATOM 1009 CG2 THR A 63 9.663 -23.141 8.573 1.00 45.10 C ATOM 0 H THR A 63 11.228 -26.340 6.590 1.00 64.23 H new ATOM 0 HA THR A 63 9.359 -24.154 5.977 1.00 11.41 H new ATOM 0 HB THR A 63 10.763 -24.969 8.553 1.00 31.34 H new ATOM 0 HG1 THR A 63 8.550 -25.380 9.209 1.00 62.11 H new ATOM 0 HG21 THR A 63 9.432 -23.200 9.637 1.00 45.10 H new ATOM 0 HG22 THR A 63 10.555 -22.532 8.429 1.00 45.10 H new ATOM 0 HG23 THR A 63 8.825 -22.687 8.044 1.00 45.10 H new ATOM 1017 N LEU A 64 11.063 -22.359 5.722 1.00 31.21 N ATOM 1018 CA LEU A 64 12.065 -21.334 5.450 1.00 23.22 C ATOM 1019 C LEU A 64 11.697 -20.018 6.129 1.00 10.31 C ATOM 1020 O LEU A 64 10.703 -19.383 5.778 1.00 34.35 O ATOM 1021 CB LEU A 64 12.209 -21.120 3.942 1.00 42.20 C ATOM 1022 CG LEU A 64 13.116 -22.108 3.207 1.00 33.54 C ATOM 1023 CD1 LEU A 64 12.334 -22.863 2.145 1.00 24.14 C ATOM 1024 CD2 LEU A 64 14.301 -21.383 2.586 1.00 33.52 C ATOM 0 H LEU A 64 10.117 -22.110 5.435 1.00 31.21 H new ATOM 0 HA LEU A 64 13.017 -21.676 5.855 1.00 23.22 H new ATOM 0 HB2 LEU A 64 11.217 -21.165 3.493 1.00 42.20 H new ATOM 0 HB3 LEU A 64 12.590 -20.113 3.773 1.00 42.20 H new ATOM 0 HG LEU A 64 13.496 -22.830 3.930 1.00 33.54 H new ATOM 0 HD11 LEU A 64 12.996 -23.561 1.633 1.00 24.14 H new ATOM 0 HD12 LEU A 64 11.520 -23.414 2.616 1.00 24.14 H new ATOM 0 HD13 LEU A 64 11.924 -22.156 1.424 1.00 24.14 H new ATOM 0 HD21 LEU A 64 14.936 -22.101 2.067 1.00 33.52 H new ATOM 0 HD22 LEU A 64 13.941 -20.638 1.876 1.00 33.52 H new ATOM 0 HD23 LEU A 64 14.877 -20.889 3.369 1.00 33.52 H new ATOM 1036 N THR A 65 12.508 -19.613 7.102 1.00 71.33 N ATOM 1037 CA THR A 65 12.269 -18.373 7.828 1.00 73.12 C ATOM 1038 C THR A 65 13.293 -17.309 7.452 1.00 14.11 C ATOM 1039 O THR A 65 14.499 -17.552 7.495 1.00 44.01 O ATOM 1040 CB THR A 65 12.316 -18.597 9.352 1.00 74.44 C ATOM 1041 OG1 THR A 65 11.996 -19.960 9.656 1.00 70.01 O ATOM 1042 CG2 THR A 65 11.343 -17.671 10.066 1.00 42.34 C ATOM 0 H THR A 65 13.336 -20.126 7.405 1.00 71.33 H new ATOM 0 HA THR A 65 11.273 -18.030 7.548 1.00 73.12 H new ATOM 0 HB THR A 65 13.325 -18.374 9.699 1.00 74.44 H new ATOM 0 HG1 THR A 65 12.794 -20.517 9.541 1.00 70.01 H new ATOM 0 HG21 THR A 65 11.394 -17.848 11.140 1.00 42.34 H new ATOM 0 HG22 THR A 65 11.606 -16.634 9.856 1.00 42.34 H new ATOM 0 HG23 THR A 65 10.330 -17.866 9.714 1.00 42.34 H new ATOM 1050 N MET A 66 12.805 -16.129 7.084 1.00 44.23 N ATOM 1051 CA MET A 66 13.680 -15.026 6.701 1.00 35.33 C ATOM 1052 C MET A 66 12.950 -13.691 6.808 1.00 74.32 C ATOM 1053 O MET A 66 11.727 -13.632 6.683 1.00 1.23 O ATOM 1054 CB MET A 66 14.195 -15.227 5.275 1.00 73.33 C ATOM 1055 CG MET A 66 15.438 -16.098 5.195 1.00 31.14 C ATOM 1056 SD MET A 66 15.106 -17.718 4.475 1.00 74.11 S ATOM 1057 CE MET A 66 16.766 -18.376 4.343 1.00 64.32 C ATOM 0 H MET A 66 11.809 -15.912 7.043 1.00 44.23 H new ATOM 0 HA MET A 66 14.527 -15.012 7.386 1.00 35.33 H new ATOM 0 HB2 MET A 66 13.406 -15.678 4.673 1.00 73.33 H new ATOM 0 HB3 MET A 66 14.414 -14.254 4.836 1.00 73.33 H new ATOM 0 HG2 MET A 66 16.196 -15.589 4.600 1.00 31.14 H new ATOM 0 HG3 MET A 66 15.851 -16.227 6.195 1.00 31.14 H new ATOM 0 HE1 MET A 66 16.875 -18.901 3.394 1.00 64.32 H new ATOM 0 HE2 MET A 66 17.486 -17.559 4.391 1.00 64.32 H new ATOM 0 HE3 MET A 66 16.949 -19.069 5.164 1.00 64.32 H new ATOM 1067 N GLU A 67 13.707 -12.623 7.037 1.00 74.44 N ATOM 1068 CA GLU A 67 13.130 -11.290 7.161 1.00 65.21 C ATOM 1069 C GLU A 67 12.850 -10.689 5.786 1.00 21.25 C ATOM 1070 O GLU A 67 13.372 -11.158 4.774 1.00 71.54 O ATOM 1071 CB GLU A 67 14.069 -10.375 7.949 1.00 61.44 C ATOM 1072 CG GLU A 67 14.474 -10.937 9.301 1.00 20.41 C ATOM 1073 CD GLU A 67 14.026 -10.061 10.455 1.00 50.14 C ATOM 1074 OE1 GLU A 67 14.163 -8.824 10.351 1.00 14.41 O1- ATOM 1075 OE2 GLU A 67 13.537 -10.613 11.463 1.00 70.53 O ATOM 0 H GLU A 67 14.721 -12.655 7.140 1.00 74.44 H new ATOM 0 HA GLU A 67 12.186 -11.379 7.699 1.00 65.21 H new ATOM 0 HB2 GLU A 67 14.966 -10.193 7.357 1.00 61.44 H new ATOM 0 HB3 GLU A 67 13.583 -9.410 8.097 1.00 61.44 H new ATOM 0 HG2 GLU A 67 14.047 -11.933 9.419 1.00 20.41 H new ATOM 0 HG3 GLU A 67 15.558 -11.049 9.334 1.00 20.41 H new ATOM 1082 N ASP A 68 12.025 -9.649 5.759 1.00 21.12 N ATOM 1083 CA ASP A 68 11.675 -8.983 4.510 1.00 71.10 C ATOM 1084 C ASP A 68 12.929 -8.529 3.768 1.00 24.42 C ATOM 1085 O ASP A 68 13.132 -8.874 2.603 1.00 74.24 O ATOM 1086 CB ASP A 68 10.767 -7.783 4.784 1.00 64.02 C ATOM 1087 CG ASP A 68 9.514 -7.798 3.930 1.00 31.40 C ATOM 1088 OD1 ASP A 68 9.604 -7.430 2.739 1.00 75.34 O1- ATOM 1089 OD2 ASP A 68 8.444 -8.177 4.451 1.00 12.13 O ATOM 0 H ASP A 68 11.586 -9.248 6.588 1.00 21.12 H new ATOM 0 HA ASP A 68 11.141 -9.697 3.883 1.00 71.10 H new ATOM 0 HB2 ASP A 68 10.485 -7.777 5.837 1.00 64.02 H new ATOM 0 HB3 ASP A 68 11.320 -6.862 4.597 1.00 64.02 H new ATOM 1094 N ASP A 69 13.764 -7.752 4.448 1.00 45.41 N ATOM 1095 CA ASP A 69 14.997 -7.250 3.854 1.00 14.54 C ATOM 1096 C ASP A 69 15.872 -8.400 3.366 1.00 22.43 C ATOM 1097 O ASP A 69 16.519 -8.301 2.322 1.00 53.21 O ATOM 1098 CB ASP A 69 15.768 -6.400 4.865 1.00 1.15 C ATOM 1099 CG ASP A 69 15.846 -4.942 4.456 1.00 54.42 C ATOM 1100 OD1 ASP A 69 16.110 -4.673 3.266 1.00 74.02 O ATOM 1101 OD2 ASP A 69 15.641 -4.071 5.327 1.00 30.41 O1- ATOM 0 H ASP A 69 13.609 -7.456 5.412 1.00 45.41 H new ATOM 0 HA ASP A 69 14.732 -6.630 2.998 1.00 14.54 H new ATOM 0 HB2 ASP A 69 15.287 -6.475 5.840 1.00 1.15 H new ATOM 0 HB3 ASP A 69 16.777 -6.798 4.975 1.00 1.15 H new ATOM 1106 N ILE A 70 15.889 -9.488 4.128 1.00 1.14 N ATOM 1107 CA ILE A 70 16.685 -10.657 3.772 1.00 43.35 C ATOM 1108 C ILE A 70 16.387 -11.113 2.349 1.00 31.44 C ATOM 1109 O ILE A 70 17.299 -11.381 1.567 1.00 24.31 O ATOM 1110 CB ILE A 70 16.428 -11.828 4.739 1.00 13.31 C ATOM 1111 CG1 ILE A 70 17.125 -11.575 6.078 1.00 2.20 C ATOM 1112 CG2 ILE A 70 16.906 -13.136 4.125 1.00 11.14 C ATOM 1113 CD1 ILE A 70 18.626 -11.432 5.959 1.00 73.31 C ATOM 0 H ILE A 70 15.361 -9.585 4.995 1.00 1.14 H new ATOM 0 HA ILE A 70 17.731 -10.360 3.843 1.00 43.35 H new ATOM 0 HB ILE A 70 15.356 -11.904 4.918 1.00 13.31 H new ATOM 0 HG12 ILE A 70 16.716 -10.669 6.526 1.00 2.20 H new ATOM 0 HG13 ILE A 70 16.899 -12.397 6.757 1.00 2.20 H new ATOM 0 HG21 ILE A 70 16.718 -13.954 4.820 1.00 11.14 H new ATOM 0 HG22 ILE A 70 16.368 -13.319 3.195 1.00 11.14 H new ATOM 0 HG23 ILE A 70 17.975 -13.073 3.920 1.00 11.14 H new ATOM 0 HD11 ILE A 70 19.054 -11.255 6.946 1.00 73.31 H new ATOM 0 HD12 ILE A 70 19.047 -12.346 5.540 1.00 73.31 H new ATOM 0 HD13 ILE A 70 18.861 -10.592 5.305 1.00 73.31 H new ATOM 1125 N MET A 71 15.102 -11.197 2.016 1.00 71.51 N ATOM 1126 CA MET A 71 14.684 -11.618 0.684 1.00 43.30 C ATOM 1127 C MET A 71 15.387 -10.797 -0.392 1.00 65.43 C ATOM 1128 O MET A 71 15.692 -11.303 -1.471 1.00 75.00 O ATOM 1129 CB MET A 71 13.167 -11.481 0.537 1.00 72.31 C ATOM 1130 CG MET A 71 12.735 -10.180 -0.120 1.00 1.33 C ATOM 1131 SD MET A 71 10.943 -10.028 -0.249 1.00 74.13 S ATOM 1132 CE MET A 71 10.457 -10.303 1.453 1.00 31.24 C ATOM 0 H MET A 71 14.333 -10.979 2.650 1.00 71.51 H new ATOM 0 HA MET A 71 14.962 -12.664 0.556 1.00 43.30 H new ATOM 0 HB2 MET A 71 12.790 -12.318 -0.051 1.00 72.31 H new ATOM 0 HB3 MET A 71 12.707 -11.551 1.523 1.00 72.31 H new ATOM 0 HG2 MET A 71 13.126 -9.340 0.454 1.00 1.33 H new ATOM 0 HG3 MET A 71 13.174 -10.117 -1.116 1.00 1.33 H new ATOM 0 HE1 MET A 71 9.370 -10.276 1.530 1.00 31.24 H new ATOM 0 HE2 MET A 71 10.820 -11.277 1.782 1.00 31.24 H new ATOM 0 HE3 MET A 71 10.885 -9.524 2.084 1.00 31.24 H new ATOM 1142 N PHE A 72 15.642 -9.529 -0.089 1.00 41.54 N ATOM 1143 CA PHE A 72 16.308 -8.637 -1.031 1.00 22.30 C ATOM 1144 C PHE A 72 17.780 -9.007 -1.182 1.00 43.01 C ATOM 1145 O PHE A 72 18.376 -8.813 -2.242 1.00 63.32 O ATOM 1146 CB PHE A 72 16.180 -7.184 -0.569 1.00 44.00 C ATOM 1147 CG PHE A 72 16.743 -6.192 -1.547 1.00 52.50 C ATOM 1148 CD1 PHE A 72 16.371 -6.226 -2.881 1.00 2.12 C ATOM 1149 CD2 PHE A 72 17.645 -5.225 -1.132 1.00 61.23 C ATOM 1150 CE1 PHE A 72 16.887 -5.316 -3.783 1.00 51.42 C ATOM 1151 CE2 PHE A 72 18.163 -4.311 -2.029 1.00 44.43 C ATOM 1152 CZ PHE A 72 17.785 -4.357 -3.358 1.00 61.11 C ATOM 0 H PHE A 72 15.398 -9.096 0.801 1.00 41.54 H new ATOM 0 HA PHE A 72 15.823 -8.746 -2.001 1.00 22.30 H new ATOM 0 HB2 PHE A 72 15.128 -6.957 -0.398 1.00 44.00 H new ATOM 0 HB3 PHE A 72 16.690 -7.069 0.387 1.00 44.00 H new ATOM 0 HD1 PHE A 72 15.669 -6.973 -3.220 1.00 2.12 H new ATOM 0 HD2 PHE A 72 17.946 -5.186 -0.096 1.00 61.23 H new ATOM 0 HE1 PHE A 72 16.588 -5.355 -4.820 1.00 51.42 H new ATOM 0 HE2 PHE A 72 18.863 -3.561 -1.692 1.00 44.43 H new ATOM 0 HZ PHE A 72 18.191 -3.645 -4.062 1.00 61.11 H new ATOM 1162 N ALA A 73 18.363 -9.541 -0.113 1.00 72.11 N ATOM 1163 CA ALA A 73 19.764 -9.941 -0.126 1.00 15.10 C ATOM 1164 C ALA A 73 19.956 -11.251 -0.883 1.00 3.03 C ATOM 1165 O ALA A 73 20.669 -11.300 -1.884 1.00 20.54 O ATOM 1166 CB ALA A 73 20.289 -10.070 1.296 1.00 40.23 C ATOM 0 H ALA A 73 17.886 -9.706 0.773 1.00 72.11 H new ATOM 0 HA ALA A 73 20.331 -9.167 -0.643 1.00 15.10 H new ATOM 0 HB1 ALA A 73 21.337 -10.369 1.271 1.00 40.23 H new ATOM 0 HB2 ALA A 73 20.198 -9.111 1.806 1.00 40.23 H new ATOM 0 HB3 ALA A 73 19.709 -10.822 1.831 1.00 40.23 H new ATOM 1172 N ILE A 74 19.313 -12.308 -0.397 1.00 62.02 N ATOM 1173 CA ILE A 74 19.413 -13.617 -1.029 1.00 2.11 C ATOM 1174 C ILE A 74 18.690 -13.637 -2.371 1.00 5.14 C ATOM 1175 O ILE A 74 19.214 -14.141 -3.364 1.00 43.34 O ATOM 1176 CB ILE A 74 18.831 -14.723 -0.129 1.00 11.55 C ATOM 1177 CG1 ILE A 74 19.586 -14.778 1.201 1.00 44.31 C ATOM 1178 CG2 ILE A 74 18.893 -16.069 -0.835 1.00 21.22 C ATOM 1179 CD1 ILE A 74 19.008 -15.773 2.183 1.00 30.22 C ATOM 0 H ILE A 74 18.718 -12.283 0.431 1.00 62.02 H new ATOM 0 HA ILE A 74 20.474 -13.810 -1.188 1.00 2.11 H new ATOM 0 HB ILE A 74 17.786 -14.491 0.077 1.00 11.55 H new ATOM 0 HG12 ILE A 74 20.628 -15.034 1.008 1.00 44.31 H new ATOM 0 HG13 ILE A 74 19.580 -13.787 1.654 1.00 44.31 H new ATOM 0 HG21 ILE A 74 18.478 -16.840 -0.186 1.00 21.22 H new ATOM 0 HG22 ILE A 74 18.315 -16.023 -1.758 1.00 21.22 H new ATOM 0 HG23 ILE A 74 19.930 -16.310 -1.068 1.00 21.22 H new ATOM 0 HD11 ILE A 74 19.593 -15.758 3.103 1.00 30.22 H new ATOM 0 HD12 ILE A 74 17.975 -15.506 2.406 1.00 30.22 H new ATOM 0 HD13 ILE A 74 19.039 -16.772 1.749 1.00 30.22 H new ATOM 1191 N GLY A 75 17.481 -13.083 -2.394 1.00 3.13 N ATOM 1192 CA GLY A 75 16.705 -13.045 -3.620 1.00 32.31 C ATOM 1193 C GLY A 75 17.491 -12.480 -4.787 1.00 1.25 C ATOM 1194 O GLY A 75 17.405 -12.985 -5.907 1.00 54.01 O ATOM 0 H GLY A 75 17.025 -12.660 -1.585 1.00 3.13 H new ATOM 0 HA2 GLY A 75 16.370 -14.053 -3.866 1.00 32.31 H new ATOM 0 HA3 GLY A 75 15.811 -12.442 -3.462 1.00 32.31 H new ATOM 1198 N THR A 76 18.260 -11.427 -4.526 1.00 53.52 N ATOM 1199 CA THR A 76 19.062 -10.791 -5.563 1.00 44.22 C ATOM 1200 C THR A 76 20.436 -11.439 -5.670 1.00 51.23 C ATOM 1201 O THR A 76 21.222 -11.108 -6.557 1.00 5.23 O ATOM 1202 CB THR A 76 19.237 -9.284 -5.292 1.00 62.11 C ATOM 1203 OG1 THR A 76 20.073 -9.087 -4.146 1.00 43.24 O ATOM 1204 CG2 THR A 76 17.890 -8.614 -5.065 1.00 74.33 C ATOM 0 H THR A 76 18.344 -10.997 -3.605 1.00 53.52 H new ATOM 0 HA THR A 76 18.527 -10.924 -6.503 1.00 44.22 H new ATOM 0 HB THR A 76 19.706 -8.832 -6.166 1.00 62.11 H new ATOM 0 HG1 THR A 76 19.530 -8.766 -3.396 1.00 43.24 H new ATOM 0 HG21 THR A 76 18.040 -7.551 -4.876 1.00 74.33 H new ATOM 0 HG22 THR A 76 17.267 -8.741 -5.950 1.00 74.33 H new ATOM 0 HG23 THR A 76 17.397 -9.070 -4.206 1.00 74.33 H new ATOM 1212 N GLY A 77 20.721 -12.367 -4.762 1.00 1.41 N ATOM 1213 CA GLY A 77 22.002 -13.049 -4.773 1.00 40.44 C ATOM 1214 C GLY A 77 23.128 -12.173 -4.261 1.00 21.42 C ATOM 1215 O GLY A 77 24.303 -12.498 -4.433 1.00 72.34 O ATOM 0 H GLY A 77 20.087 -12.659 -4.018 1.00 1.41 H new ATOM 0 HA2 GLY A 77 21.937 -13.948 -4.160 1.00 40.44 H new ATOM 0 HA3 GLY A 77 22.230 -13.372 -5.789 1.00 40.44 H new ATOM 1219 N ALA A 78 22.771 -11.059 -3.631 1.00 14.03 N ATOM 1220 CA ALA A 78 23.761 -10.134 -3.093 1.00 4.53 C ATOM 1221 C ALA A 78 24.689 -10.837 -2.108 1.00 51.42 C ATOM 1222 O ALA A 78 25.900 -10.610 -2.110 1.00 12.13 O ATOM 1223 CB ALA A 78 23.072 -8.955 -2.423 1.00 15.31 C ATOM 0 H ALA A 78 21.803 -10.775 -3.480 1.00 14.03 H new ATOM 0 HA ALA A 78 24.365 -9.764 -3.921 1.00 4.53 H new ATOM 0 HB1 ALA A 78 23.823 -8.272 -2.026 1.00 15.31 H new ATOM 0 HB2 ALA A 78 22.455 -8.431 -3.153 1.00 15.31 H new ATOM 0 HB3 ALA A 78 22.443 -9.316 -1.609 1.00 15.31 H new ATOM 1229 N LEU A 79 24.115 -11.689 -1.266 1.00 34.13 N ATOM 1230 CA LEU A 79 24.891 -12.425 -0.273 1.00 54.32 C ATOM 1231 C LEU A 79 24.672 -13.928 -0.415 1.00 62.35 C ATOM 1232 O LEU A 79 23.599 -14.389 -0.808 1.00 75.14 O ATOM 1233 CB LEU A 79 24.511 -11.973 1.138 1.00 45.25 C ATOM 1234 CG LEU A 79 25.649 -11.417 1.994 1.00 22.42 C ATOM 1235 CD1 LEU A 79 25.390 -9.961 2.347 1.00 41.33 C ATOM 1236 CD2 LEU A 79 25.825 -12.250 3.255 1.00 23.31 C ATOM 0 H LEU A 79 23.115 -11.888 -1.251 1.00 34.13 H new ATOM 0 HA LEU A 79 25.947 -12.213 -0.443 1.00 54.32 H new ATOM 0 HB2 LEU A 79 23.737 -11.209 1.057 1.00 45.25 H new ATOM 0 HB3 LEU A 79 24.069 -12.820 1.663 1.00 45.25 H new ATOM 0 HG LEU A 79 26.571 -11.471 1.416 1.00 22.42 H new ATOM 0 HD11 LEU A 79 26.211 -9.583 2.956 1.00 41.33 H new ATOM 0 HD12 LEU A 79 25.316 -9.373 1.433 1.00 41.33 H new ATOM 0 HD13 LEU A 79 24.457 -9.882 2.905 1.00 41.33 H new ATOM 0 HD21 LEU A 79 26.639 -11.839 3.852 1.00 23.31 H new ATOM 0 HD22 LEU A 79 24.903 -12.229 3.836 1.00 23.31 H new ATOM 0 HD23 LEU A 79 26.059 -13.279 2.982 1.00 23.31 H new ATOM 1248 N PRO A 80 25.709 -14.711 -0.085 1.00 14.00 N ATOM 1249 CA PRO A 80 25.652 -16.173 -0.163 1.00 41.14 C ATOM 1250 C PRO A 80 24.734 -16.777 0.894 1.00 21.40 C ATOM 1251 O PRO A 80 24.837 -16.452 2.076 1.00 0.41 O ATOM 1252 CB PRO A 80 27.102 -16.598 0.082 1.00 72.45 C ATOM 1253 CG PRO A 80 27.695 -15.482 0.871 1.00 25.51 C ATOM 1254 CD PRO A 80 27.016 -14.230 0.392 1.00 63.44 C ATOM 0 HA PRO A 80 25.248 -16.514 -1.116 1.00 41.14 H new ATOM 0 HB2 PRO A 80 27.152 -17.540 0.629 1.00 72.45 H new ATOM 0 HB3 PRO A 80 27.635 -16.746 -0.857 1.00 72.45 H new ATOM 0 HG2 PRO A 80 27.533 -15.630 1.939 1.00 25.51 H new ATOM 0 HG3 PRO A 80 28.773 -15.425 0.717 1.00 25.51 H new ATOM 0 HD2 PRO A 80 26.907 -13.500 1.194 1.00 63.44 H new ATOM 0 HD3 PRO A 80 27.581 -13.746 -0.405 1.00 63.44 H new ATOM 1262 N ALA A 81 23.837 -17.656 0.460 1.00 32.45 N ATOM 1263 CA ALA A 81 22.902 -18.306 1.370 1.00 0.14 C ATOM 1264 C ALA A 81 23.641 -19.141 2.411 1.00 23.15 C ATOM 1265 O ALA A 81 23.149 -19.346 3.521 1.00 35.22 O ATOM 1266 CB ALA A 81 21.924 -19.173 0.592 1.00 1.12 C ATOM 0 H ALA A 81 23.738 -17.934 -0.516 1.00 32.45 H new ATOM 0 HA ALA A 81 22.344 -17.530 1.894 1.00 0.14 H new ATOM 0 HB1 ALA A 81 21.232 -19.652 1.285 1.00 1.12 H new ATOM 0 HB2 ALA A 81 21.365 -18.552 -0.108 1.00 1.12 H new ATOM 0 HB3 ALA A 81 22.473 -19.937 0.041 1.00 1.12 H new ATOM 1272 N LYS A 82 24.824 -19.623 2.044 1.00 52.31 N ATOM 1273 CA LYS A 82 25.631 -20.437 2.945 1.00 64.02 C ATOM 1274 C LYS A 82 26.211 -19.588 4.072 1.00 31.13 C ATOM 1275 O LYS A 82 25.988 -19.869 5.250 1.00 60.00 O ATOM 1276 CB LYS A 82 26.763 -21.119 2.174 1.00 15.40 C ATOM 1277 CG LYS A 82 26.419 -22.522 1.704 1.00 55.43 C ATOM 1278 CD LYS A 82 26.598 -22.668 0.202 1.00 25.31 C ATOM 1279 CE LYS A 82 26.834 -24.118 -0.193 1.00 43.03 C ATOM 1280 NZ LYS A 82 28.080 -24.280 -0.992 1.00 1.31 N1+ ATOM 0 H LYS A 82 25.245 -19.464 1.129 1.00 52.31 H new ATOM 0 HA LYS A 82 24.986 -21.199 3.381 1.00 64.02 H new ATOM 0 HB2 LYS A 82 27.022 -20.508 1.309 1.00 15.40 H new ATOM 0 HB3 LYS A 82 27.648 -21.164 2.809 1.00 15.40 H new ATOM 0 HG2 LYS A 82 27.053 -23.244 2.218 1.00 55.43 H new ATOM 0 HG3 LYS A 82 25.388 -22.754 1.973 1.00 55.43 H new ATOM 0 HD2 LYS A 82 25.713 -22.290 -0.309 1.00 25.31 H new ATOM 0 HD3 LYS A 82 27.440 -22.059 -0.126 1.00 25.31 H new ATOM 0 HE2 LYS A 82 26.896 -24.733 0.705 1.00 43.03 H new ATOM 0 HE3 LYS A 82 25.983 -24.480 -0.770 1.00 43.03 H new ATOM 0 HZ1 LYS A 82 28.205 -25.282 -1.241 1.00 1.31 H new ATOM 0 HZ2 LYS A 82 28.011 -23.713 -1.861 1.00 1.31 H new ATOM 0 HZ3 LYS A 82 28.895 -23.958 -0.432 1.00 1.31 H new ATOM 1294 N GLU A 83 26.953 -18.548 3.704 1.00 54.33 N ATOM 1295 CA GLU A 83 27.563 -17.660 4.686 1.00 72.13 C ATOM 1296 C GLU A 83 26.497 -16.890 5.459 1.00 22.30 C ATOM 1297 O GLU A 83 26.572 -16.763 6.681 1.00 41.13 O ATOM 1298 CB GLU A 83 28.516 -16.680 3.998 1.00 33.31 C ATOM 1299 CG GLU A 83 29.888 -16.607 4.647 1.00 73.20 C ATOM 1300 CD GLU A 83 30.946 -17.358 3.862 1.00 31.14 C ATOM 1301 OE1 GLU A 83 31.053 -17.127 2.639 1.00 4.11 O ATOM 1302 OE2 GLU A 83 31.667 -18.177 4.470 1.00 42.32 O1- ATOM 0 H GLU A 83 27.146 -18.300 2.734 1.00 54.33 H new ATOM 0 HA GLU A 83 28.128 -18.272 5.390 1.00 72.13 H new ATOM 0 HB2 GLU A 83 28.632 -16.972 2.954 1.00 33.31 H new ATOM 0 HB3 GLU A 83 28.068 -15.686 4.003 1.00 33.31 H new ATOM 0 HG2 GLU A 83 30.185 -15.563 4.743 1.00 73.20 H new ATOM 0 HG3 GLU A 83 29.831 -17.016 5.656 1.00 73.20 H new ATOM 1309 N ALA A 84 25.505 -16.378 4.738 1.00 31.35 N ATOM 1310 CA ALA A 84 24.422 -15.622 5.355 1.00 33.22 C ATOM 1311 C ALA A 84 23.816 -16.389 6.526 1.00 0.53 C ATOM 1312 O ALA A 84 23.705 -15.863 7.634 1.00 54.02 O ATOM 1313 CB ALA A 84 23.352 -15.296 4.325 1.00 63.32 C ATOM 0 H ALA A 84 25.429 -16.473 3.725 1.00 31.35 H new ATOM 0 HA ALA A 84 24.836 -14.690 5.740 1.00 33.22 H new ATOM 0 HB1 ALA A 84 22.550 -14.731 4.800 1.00 63.32 H new ATOM 0 HB2 ALA A 84 23.789 -14.701 3.523 1.00 63.32 H new ATOM 0 HB3 ALA A 84 22.950 -16.221 3.913 1.00 63.32 H new ATOM 1319 N MET A 85 23.424 -17.634 6.273 1.00 15.31 N ATOM 1320 CA MET A 85 22.830 -18.472 7.308 1.00 72.33 C ATOM 1321 C MET A 85 23.884 -18.928 8.311 1.00 13.11 C ATOM 1322 O MET A 85 23.573 -19.203 9.470 1.00 65.35 O ATOM 1323 CB MET A 85 22.148 -19.688 6.678 1.00 14.13 C ATOM 1324 CG MET A 85 20.772 -19.386 6.107 1.00 2.33 C ATOM 1325 SD MET A 85 20.337 -20.471 4.734 1.00 30.31 S ATOM 1326 CE MET A 85 20.125 -19.279 3.414 1.00 34.22 C ATOM 0 H MET A 85 23.507 -18.084 5.361 1.00 15.31 H new ATOM 0 HA MET A 85 22.084 -17.879 7.838 1.00 72.33 H new ATOM 0 HB2 MET A 85 22.784 -20.080 5.884 1.00 14.13 H new ATOM 0 HB3 MET A 85 22.056 -20.472 7.429 1.00 14.13 H new ATOM 0 HG2 MET A 85 20.026 -19.487 6.895 1.00 2.33 H new ATOM 0 HG3 MET A 85 20.742 -18.350 5.770 1.00 2.33 H new ATOM 0 HE1 MET A 85 19.635 -19.758 2.566 1.00 34.22 H new ATOM 0 HE2 MET A 85 19.511 -18.450 3.767 1.00 34.22 H new ATOM 0 HE3 MET A 85 21.100 -18.902 3.104 1.00 34.22 H new ATOM 1336 N ALA A 86 25.131 -19.006 7.858 1.00 22.40 N ATOM 1337 CA ALA A 86 26.230 -19.427 8.718 1.00 24.14 C ATOM 1338 C ALA A 86 26.406 -18.472 9.893 1.00 44.20 C ATOM 1339 O ALA A 86 26.783 -18.885 10.989 1.00 35.33 O ATOM 1340 CB ALA A 86 27.520 -19.522 7.915 1.00 41.43 C ATOM 0 H ALA A 86 25.405 -18.783 6.901 1.00 22.40 H new ATOM 0 HA ALA A 86 25.989 -20.412 9.118 1.00 24.14 H new ATOM 0 HB1 ALA A 86 28.333 -19.837 8.569 1.00 41.43 H new ATOM 0 HB2 ALA A 86 27.396 -20.250 7.113 1.00 41.43 H new ATOM 0 HB3 ALA A 86 27.755 -18.547 7.488 1.00 41.43 H new ATOM 1346 N GLN A 87 26.130 -17.193 9.657 1.00 21.33 N ATOM 1347 CA GLN A 87 26.258 -16.179 10.696 1.00 11.30 C ATOM 1348 C GLN A 87 24.987 -16.095 11.535 1.00 13.12 C ATOM 1349 O GLN A 87 24.665 -15.044 12.088 1.00 34.44 O ATOM 1350 CB GLN A 87 26.564 -14.816 10.074 1.00 62.44 C ATOM 1351 CG GLN A 87 28.028 -14.628 9.709 1.00 22.40 C ATOM 1352 CD GLN A 87 28.263 -13.397 8.856 1.00 42.41 C ATOM 1353 OE1 GLN A 87 27.357 -12.590 8.647 1.00 63.45 O ATOM 1354 NE2 GLN A 87 29.485 -13.246 8.359 1.00 23.23 N ATOM 0 H GLN A 87 25.816 -16.835 8.755 1.00 21.33 H new ATOM 0 HA GLN A 87 27.083 -16.466 11.348 1.00 11.30 H new ATOM 0 HB2 GLN A 87 25.956 -14.690 9.178 1.00 62.44 H new ATOM 0 HB3 GLN A 87 26.269 -14.033 10.772 1.00 62.44 H new ATOM 0 HG2 GLN A 87 28.619 -14.551 10.622 1.00 22.40 H new ATOM 0 HG3 GLN A 87 28.381 -15.509 9.174 1.00 22.40 H new ATOM 0 HE21 GLN A 87 30.206 -13.940 8.558 1.00 23.23 H new ATOM 0 HE22 GLN A 87 29.703 -12.436 7.778 1.00 23.23 H new ATOM 1363 N ASP A 88 24.268 -17.209 11.624 1.00 74.43 N ATOM 1364 CA ASP A 88 23.032 -17.261 12.396 1.00 30.11 C ATOM 1365 C ASP A 88 22.143 -16.063 12.079 1.00 61.34 C ATOM 1366 O ASP A 88 21.364 -15.615 12.921 1.00 12.20 O ATOM 1367 CB ASP A 88 23.342 -17.301 13.893 1.00 42.33 C ATOM 1368 CG ASP A 88 23.918 -18.634 14.331 1.00 10.02 C ATOM 1369 OD1 ASP A 88 24.921 -19.073 13.729 1.00 73.51 O ATOM 1370 OD2 ASP A 88 23.367 -19.236 15.274 1.00 1.01 O1- ATOM 0 H ASP A 88 24.520 -18.088 11.171 1.00 74.43 H new ATOM 0 HA ASP A 88 22.498 -18.170 12.120 1.00 30.11 H new ATOM 0 HB2 ASP A 88 24.047 -16.506 14.136 1.00 42.33 H new ATOM 0 HB3 ASP A 88 22.430 -17.101 14.455 1.00 42.33 H new ATOM 1375 N LYS A 89 22.265 -15.547 10.861 1.00 0.12 N ATOM 1376 CA LYS A 89 21.473 -14.401 10.432 1.00 50.20 C ATOM 1377 C LYS A 89 20.197 -14.854 9.730 1.00 23.34 C ATOM 1378 O LYS A 89 19.397 -14.031 9.285 1.00 54.12 O ATOM 1379 CB LYS A 89 22.292 -13.510 9.496 1.00 12.11 C ATOM 1380 CG LYS A 89 23.154 -12.492 10.226 1.00 1.11 C ATOM 1381 CD LYS A 89 23.404 -11.261 9.372 1.00 0.51 C ATOM 1382 CE LYS A 89 23.658 -10.031 10.230 1.00 23.00 C ATOM 1383 NZ LYS A 89 22.388 -9.417 10.709 1.00 64.21 N1+ ATOM 0 H LYS A 89 22.906 -15.905 10.153 1.00 0.12 H new ATOM 0 HA LYS A 89 21.197 -13.830 11.319 1.00 50.20 H new ATOM 0 HB2 LYS A 89 22.932 -14.139 8.877 1.00 12.11 H new ATOM 0 HB3 LYS A 89 21.615 -12.984 8.823 1.00 12.11 H new ATOM 0 HG2 LYS A 89 22.665 -12.199 11.155 1.00 1.11 H new ATOM 0 HG3 LYS A 89 24.106 -12.948 10.497 1.00 1.11 H new ATOM 0 HD2 LYS A 89 24.261 -11.436 8.722 1.00 0.51 H new ATOM 0 HD3 LYS A 89 22.544 -11.084 8.726 1.00 0.51 H new ATOM 0 HE2 LYS A 89 24.274 -10.306 11.086 1.00 23.00 H new ATOM 0 HE3 LYS A 89 24.222 -9.297 9.655 1.00 23.00 H new ATOM 0 HZ1 LYS A 89 22.604 -8.582 11.290 1.00 64.21 H new ATOM 0 HZ2 LYS A 89 21.811 -9.131 9.892 1.00 64.21 H new ATOM 0 HZ3 LYS A 89 21.861 -10.109 11.280 1.00 64.21 H new ATOM 1397 N MET A 90 20.010 -16.167 9.639 1.00 61.54 N ATOM 1398 CA MET A 90 18.829 -16.728 8.993 1.00 34.14 C ATOM 1399 C MET A 90 18.436 -18.053 9.638 1.00 23.11 C ATOM 1400 O MET A 90 19.295 -18.838 10.039 1.00 52.43 O ATOM 1401 CB MET A 90 19.086 -16.931 7.499 1.00 63.10 C ATOM 1402 CG MET A 90 18.708 -15.729 6.649 1.00 53.24 C ATOM 1403 SD MET A 90 20.037 -15.214 5.545 1.00 10.12 S ATOM 1404 CE MET A 90 20.969 -14.127 6.621 1.00 55.23 C ATOM 0 H MET A 90 20.661 -16.862 10.004 1.00 61.54 H new ATOM 0 HA MET A 90 18.007 -16.024 9.120 1.00 34.14 H new ATOM 0 HB2 MET A 90 20.142 -17.155 7.347 1.00 63.10 H new ATOM 0 HB3 MET A 90 18.523 -17.799 7.156 1.00 63.10 H new ATOM 0 HG2 MET A 90 17.824 -15.970 6.059 1.00 53.24 H new ATOM 0 HG3 MET A 90 18.440 -14.898 7.301 1.00 53.24 H new ATOM 0 HE1 MET A 90 21.657 -13.527 6.025 1.00 55.23 H new ATOM 0 HE2 MET A 90 20.284 -13.469 7.156 1.00 55.23 H new ATOM 0 HE3 MET A 90 21.535 -14.722 7.338 1.00 55.23 H new ATOM 1414 N GLU A 91 17.132 -18.295 9.736 1.00 65.45 N ATOM 1415 CA GLU A 91 16.627 -19.525 10.333 1.00 11.40 C ATOM 1416 C GLU A 91 15.851 -20.349 9.310 1.00 34.33 C ATOM 1417 O GLU A 91 14.748 -19.979 8.906 1.00 12.44 O ATOM 1418 CB GLU A 91 15.730 -19.206 11.531 1.00 33.13 C ATOM 1419 CG GLU A 91 16.462 -18.522 12.673 1.00 21.12 C ATOM 1420 CD GLU A 91 16.477 -19.357 13.939 1.00 24.32 C ATOM 1421 OE1 GLU A 91 15.449 -20.001 14.237 1.00 51.55 O ATOM 1422 OE2 GLU A 91 17.516 -19.366 14.632 1.00 0.55 O1- ATOM 0 H GLU A 91 16.407 -17.656 9.410 1.00 65.45 H new ATOM 0 HA GLU A 91 17.482 -20.110 10.672 1.00 11.40 H new ATOM 0 HB2 GLU A 91 14.911 -18.567 11.201 1.00 33.13 H new ATOM 0 HB3 GLU A 91 15.285 -20.131 11.898 1.00 33.13 H new ATOM 0 HG2 GLU A 91 17.487 -18.312 12.368 1.00 21.12 H new ATOM 0 HG3 GLU A 91 15.988 -17.563 12.881 1.00 21.12 H new ATOM 1429 N VAL A 92 16.436 -21.467 8.892 1.00 4.22 N ATOM 1430 CA VAL A 92 15.801 -22.344 7.916 1.00 10.32 C ATOM 1431 C VAL A 92 15.804 -23.792 8.393 1.00 5.13 C ATOM 1432 O VAL A 92 16.795 -24.273 8.944 1.00 24.13 O ATOM 1433 CB VAL A 92 16.505 -22.265 6.548 1.00 74.54 C ATOM 1434 CG1 VAL A 92 17.986 -22.581 6.690 1.00 44.34 C ATOM 1435 CG2 VAL A 92 15.842 -23.206 5.553 1.00 24.44 C ATOM 0 H VAL A 92 17.349 -21.787 9.214 1.00 4.22 H new ATOM 0 HA VAL A 92 14.772 -22.002 7.807 1.00 10.32 H new ATOM 0 HB VAL A 92 16.411 -21.248 6.168 1.00 74.54 H new ATOM 0 HG11 VAL A 92 18.466 -22.520 5.713 1.00 44.34 H new ATOM 0 HG12 VAL A 92 18.448 -21.862 7.367 1.00 44.34 H new ATOM 0 HG13 VAL A 92 18.106 -23.587 7.092 1.00 44.34 H new ATOM 0 HG21 VAL A 92 16.352 -23.137 4.592 1.00 24.44 H new ATOM 0 HG22 VAL A 92 15.903 -24.229 5.924 1.00 24.44 H new ATOM 0 HG23 VAL A 92 14.796 -22.926 5.429 1.00 24.44 H new ATOM 1445 N ASP A 93 14.690 -24.483 8.179 1.00 5.23 N ATOM 1446 CA ASP A 93 14.564 -25.877 8.586 1.00 71.33 C ATOM 1447 C ASP A 93 14.006 -26.727 7.448 1.00 3.43 C ATOM 1448 O ASP A 93 12.855 -26.564 7.044 1.00 70.13 O ATOM 1449 CB ASP A 93 13.662 -25.993 9.815 1.00 63.55 C ATOM 1450 CG ASP A 93 13.936 -24.907 10.837 1.00 64.33 C ATOM 1451 OD1 ASP A 93 13.339 -23.817 10.717 1.00 61.15 O1- ATOM 1452 OD2 ASP A 93 14.746 -25.147 11.757 1.00 3.05 O ATOM 0 H ASP A 93 13.861 -24.100 7.726 1.00 5.23 H new ATOM 0 HA ASP A 93 15.558 -26.247 8.839 1.00 71.33 H new ATOM 0 HB2 ASP A 93 12.619 -25.940 9.503 1.00 63.55 H new ATOM 0 HB3 ASP A 93 13.807 -26.969 10.278 1.00 63.55 H new ATOM 1457 N GLY A 94 14.830 -27.636 6.935 1.00 62.44 N ATOM 1458 CA GLY A 94 14.402 -28.496 5.849 1.00 54.13 C ATOM 1459 C GLY A 94 15.558 -29.235 5.204 1.00 34.44 C ATOM 1460 O GLY A 94 16.720 -28.917 5.451 1.00 31.24 O ATOM 0 H GLY A 94 15.787 -27.791 7.253 1.00 62.44 H new ATOM 0 HA2 GLY A 94 13.678 -29.218 6.226 1.00 54.13 H new ATOM 0 HA3 GLY A 94 13.892 -27.897 5.095 1.00 54.13 H new ATOM 1464 N GLN A 95 15.237 -30.224 4.374 1.00 20.11 N ATOM 1465 CA GLN A 95 16.258 -31.011 3.694 1.00 74.11 C ATOM 1466 C GLN A 95 17.217 -30.109 2.923 1.00 14.41 C ATOM 1467 O GLN A 95 16.808 -29.379 2.019 1.00 70.12 O ATOM 1468 CB GLN A 95 15.609 -32.016 2.742 1.00 43.12 C ATOM 1469 CG GLN A 95 16.413 -33.294 2.564 1.00 5.44 C ATOM 1470 CD GLN A 95 16.668 -34.010 3.875 1.00 62.14 C ATOM 1471 OE1 GLN A 95 15.996 -33.757 4.876 1.00 52.20 O ATOM 1472 NE2 GLN A 95 17.642 -34.913 3.877 1.00 15.42 N ATOM 0 H GLN A 95 14.279 -30.498 4.157 1.00 20.11 H new ATOM 0 HA GLN A 95 16.826 -31.553 4.450 1.00 74.11 H new ATOM 0 HB2 GLN A 95 14.617 -32.270 3.116 1.00 43.12 H new ATOM 0 HB3 GLN A 95 15.471 -31.545 1.769 1.00 43.12 H new ATOM 0 HG2 GLN A 95 15.881 -33.962 1.887 1.00 5.44 H new ATOM 0 HG3 GLN A 95 17.367 -33.056 2.093 1.00 5.44 H new ATOM 0 HE21 GLN A 95 18.174 -35.091 3.025 1.00 15.42 H new ATOM 0 HE22 GLN A 95 17.858 -35.428 4.730 1.00 15.42 H new ATOM 1481 N VAL A 96 18.495 -30.164 3.287 1.00 3.03 N ATOM 1482 CA VAL A 96 19.512 -29.353 2.629 1.00 31.30 C ATOM 1483 C VAL A 96 19.317 -29.348 1.116 1.00 11.34 C ATOM 1484 O VAL A 96 19.329 -28.293 0.483 1.00 40.02 O ATOM 1485 CB VAL A 96 20.930 -29.859 2.951 1.00 72.23 C ATOM 1486 CG1 VAL A 96 21.976 -28.989 2.274 1.00 73.33 C ATOM 1487 CG2 VAL A 96 21.150 -29.900 4.456 1.00 14.52 C ATOM 0 H VAL A 96 18.850 -30.762 4.034 1.00 3.03 H new ATOM 0 HA VAL A 96 19.402 -28.338 3.010 1.00 31.30 H new ATOM 0 HB VAL A 96 21.032 -30.873 2.563 1.00 72.23 H new ATOM 0 HG11 VAL A 96 22.971 -29.363 2.514 1.00 73.33 H new ATOM 0 HG12 VAL A 96 21.829 -29.016 1.194 1.00 73.33 H new ATOM 0 HG13 VAL A 96 21.879 -27.962 2.627 1.00 73.33 H new ATOM 0 HG21 VAL A 96 22.157 -30.260 4.667 1.00 14.52 H new ATOM 0 HG22 VAL A 96 21.029 -28.899 4.869 1.00 14.52 H new ATOM 0 HG23 VAL A 96 20.422 -30.571 4.912 1.00 14.52 H new ATOM 1497 N GLU A 97 19.139 -30.534 0.544 1.00 74.25 N ATOM 1498 CA GLU A 97 18.942 -30.666 -0.894 1.00 11.51 C ATOM 1499 C GLU A 97 17.729 -29.861 -1.354 1.00 42.00 C ATOM 1500 O GLU A 97 17.812 -29.080 -2.303 1.00 42.22 O ATOM 1501 CB GLU A 97 18.765 -32.138 -1.275 1.00 74.24 C ATOM 1502 CG GLU A 97 20.066 -32.831 -1.645 1.00 53.13 C ATOM 1503 CD GLU A 97 19.855 -34.001 -2.587 1.00 42.33 C ATOM 1504 OE1 GLU A 97 18.957 -33.912 -3.450 1.00 51.11 O ATOM 1505 OE2 GLU A 97 20.589 -35.005 -2.460 1.00 41.00 O1- ATOM 0 H GLU A 97 19.127 -31.417 1.054 1.00 74.25 H new ATOM 0 HA GLU A 97 19.828 -30.273 -1.393 1.00 11.51 H new ATOM 0 HB2 GLU A 97 18.305 -32.668 -0.441 1.00 74.24 H new ATOM 0 HB3 GLU A 97 18.075 -32.207 -2.116 1.00 74.24 H new ATOM 0 HG2 GLU A 97 20.738 -32.110 -2.111 1.00 53.13 H new ATOM 0 HG3 GLU A 97 20.557 -33.183 -0.738 1.00 53.13 H new ATOM 1512 N LEU A 98 16.605 -30.058 -0.676 1.00 4.22 N ATOM 1513 CA LEU A 98 15.374 -29.352 -1.013 1.00 45.51 C ATOM 1514 C LEU A 98 15.630 -27.857 -1.174 1.00 62.10 C ATOM 1515 O LEU A 98 15.300 -27.267 -2.203 1.00 75.13 O ATOM 1516 CB LEU A 98 14.316 -29.586 0.067 1.00 63.45 C ATOM 1517 CG LEU A 98 13.640 -30.958 0.059 1.00 24.15 C ATOM 1518 CD1 LEU A 98 12.856 -31.174 1.343 1.00 70.31 C ATOM 1519 CD2 LEU A 98 12.733 -31.098 -1.154 1.00 24.12 C ATOM 0 H LEU A 98 16.520 -30.701 0.111 1.00 4.22 H new ATOM 0 HA LEU A 98 15.008 -29.744 -1.962 1.00 45.51 H new ATOM 0 HB2 LEU A 98 14.782 -29.438 1.041 1.00 63.45 H new ATOM 0 HB3 LEU A 98 13.545 -28.823 -0.037 1.00 63.45 H new ATOM 0 HG LEU A 98 14.414 -31.723 -0.002 1.00 24.15 H new ATOM 0 HD11 LEU A 98 12.382 -32.155 1.319 1.00 70.31 H new ATOM 0 HD12 LEU A 98 13.532 -31.118 2.196 1.00 70.31 H new ATOM 0 HD13 LEU A 98 12.091 -30.404 1.436 1.00 70.31 H new ATOM 0 HD21 LEU A 98 12.260 -32.080 -1.143 1.00 24.12 H new ATOM 0 HD22 LEU A 98 11.965 -30.325 -1.125 1.00 24.12 H new ATOM 0 HD23 LEU A 98 13.323 -30.989 -2.064 1.00 24.12 H new ATOM 1531 N ILE A 99 16.222 -27.250 -0.150 1.00 14.23 N ATOM 1532 CA ILE A 99 16.526 -25.824 -0.179 1.00 35.14 C ATOM 1533 C ILE A 99 17.666 -25.525 -1.148 1.00 52.03 C ATOM 1534 O ILE A 99 17.780 -24.415 -1.664 1.00 51.23 O ATOM 1535 CB ILE A 99 16.904 -25.300 1.218 1.00 70.21 C ATOM 1536 CG1 ILE A 99 18.136 -26.036 1.747 1.00 34.25 C ATOM 1537 CG2 ILE A 99 15.733 -25.459 2.177 1.00 43.42 C ATOM 1538 CD1 ILE A 99 18.778 -25.361 2.939 1.00 52.41 C ATOM 0 H ILE A 99 16.500 -27.723 0.710 1.00 14.23 H new ATOM 0 HA ILE A 99 15.623 -25.316 -0.516 1.00 35.14 H new ATOM 0 HB ILE A 99 17.144 -24.240 1.140 1.00 70.21 H new ATOM 0 HG12 ILE A 99 17.852 -27.051 2.024 1.00 34.25 H new ATOM 0 HG13 ILE A 99 18.871 -26.118 0.947 1.00 34.25 H new ATOM 0 HG21 ILE A 99 16.015 -25.084 3.161 1.00 43.42 H new ATOM 0 HG22 ILE A 99 14.878 -24.894 1.805 1.00 43.42 H new ATOM 0 HG23 ILE A 99 15.466 -26.513 2.253 1.00 43.42 H new ATOM 0 HD11 ILE A 99 19.645 -25.938 3.260 1.00 52.41 H new ATOM 0 HD12 ILE A 99 19.094 -24.355 2.661 1.00 52.41 H new ATOM 0 HD13 ILE A 99 18.058 -25.303 3.755 1.00 52.41 H new ATOM 1550 N PHE A 100 18.508 -26.525 -1.389 1.00 71.24 N ATOM 1551 CA PHE A 100 19.639 -26.370 -2.295 1.00 72.33 C ATOM 1552 C PHE A 100 19.170 -26.315 -3.746 1.00 42.50 C ATOM 1553 O PHE A 100 19.936 -25.969 -4.646 1.00 71.51 O ATOM 1554 CB PHE A 100 20.629 -27.522 -2.111 1.00 70.10 C ATOM 1555 CG PHE A 100 21.876 -27.379 -2.937 1.00 5.21 C ATOM 1556 CD1 PHE A 100 22.877 -26.500 -2.556 1.00 32.30 C ATOM 1557 CD2 PHE A 100 22.045 -28.123 -4.093 1.00 64.21 C ATOM 1558 CE1 PHE A 100 24.026 -26.367 -3.314 1.00 55.43 C ATOM 1559 CE2 PHE A 100 23.191 -27.993 -4.855 1.00 44.14 C ATOM 1560 CZ PHE A 100 24.183 -27.113 -4.466 1.00 4.43 C ATOM 0 H PHE A 100 18.428 -27.451 -0.969 1.00 71.24 H new ATOM 0 HA PHE A 100 20.137 -25.430 -2.056 1.00 72.33 H new ATOM 0 HB2 PHE A 100 20.905 -27.588 -1.059 1.00 70.10 H new ATOM 0 HB3 PHE A 100 20.136 -28.459 -2.371 1.00 70.10 H new ATOM 0 HD1 PHE A 100 22.759 -25.912 -1.658 1.00 32.30 H new ATOM 0 HD2 PHE A 100 21.273 -28.812 -4.402 1.00 64.21 H new ATOM 0 HE1 PHE A 100 24.800 -25.680 -3.005 1.00 55.43 H new ATOM 0 HE2 PHE A 100 23.311 -28.579 -5.754 1.00 44.14 H new ATOM 0 HZ PHE A 100 25.078 -27.009 -5.061 1.00 4.43 H new ATOM 1570 N LEU A 101 17.905 -26.659 -3.967 1.00 25.32 N ATOM 1571 CA LEU A 101 17.333 -26.651 -5.308 1.00 40.32 C ATOM 1572 C LEU A 101 17.040 -25.225 -5.765 1.00 65.23 C ATOM 1573 O LEU A 101 17.177 -24.900 -6.946 1.00 62.41 O ATOM 1574 CB LEU A 101 16.050 -27.483 -5.341 1.00 25.44 C ATOM 1575 CG LEU A 101 16.233 -29.001 -5.301 1.00 23.22 C ATOM 1576 CD1 LEU A 101 15.097 -29.655 -4.530 1.00 4.34 C ATOM 1577 CD2 LEU A 101 16.318 -29.565 -6.711 1.00 22.30 C ATOM 0 H LEU A 101 17.257 -26.947 -3.234 1.00 25.32 H new ATOM 0 HA LEU A 101 18.061 -27.090 -5.990 1.00 40.32 H new ATOM 0 HB2 LEU A 101 15.429 -27.190 -4.495 1.00 25.44 H new ATOM 0 HB3 LEU A 101 15.498 -27.227 -6.246 1.00 25.44 H new ATOM 0 HG LEU A 101 17.168 -29.222 -4.786 1.00 23.22 H new ATOM 0 HD11 LEU A 101 15.244 -30.735 -4.512 1.00 4.34 H new ATOM 0 HD12 LEU A 101 15.083 -29.274 -3.509 1.00 4.34 H new ATOM 0 HD13 LEU A 101 14.148 -29.426 -5.016 1.00 4.34 H new ATOM 0 HD21 LEU A 101 16.448 -30.646 -6.663 1.00 22.30 H new ATOM 0 HD22 LEU A 101 15.400 -29.334 -7.251 1.00 22.30 H new ATOM 0 HD23 LEU A 101 17.167 -29.120 -7.230 1.00 22.30 H new ATOM 1589 N LEU A 102 16.637 -24.379 -4.824 1.00 30.55 N ATOM 1590 CA LEU A 102 16.326 -22.987 -5.129 1.00 44.41 C ATOM 1591 C LEU A 102 17.588 -22.129 -5.104 1.00 35.10 C ATOM 1592 O LEU A 102 17.560 -20.956 -5.475 1.00 24.35 O ATOM 1593 CB LEU A 102 15.305 -22.440 -4.131 1.00 74.32 C ATOM 1594 CG LEU A 102 13.836 -22.573 -4.533 1.00 21.44 C ATOM 1595 CD1 LEU A 102 13.566 -23.947 -5.125 1.00 14.34 C ATOM 1596 CD2 LEU A 102 12.930 -22.318 -3.336 1.00 31.25 C ATOM 0 H LEU A 102 16.518 -24.632 -3.843 1.00 30.55 H new ATOM 0 HA LEU A 102 15.901 -22.948 -6.132 1.00 44.41 H new ATOM 0 HB2 LEU A 102 15.448 -22.951 -3.179 1.00 74.32 H new ATOM 0 HB3 LEU A 102 15.521 -21.385 -3.962 1.00 74.32 H new ATOM 0 HG LEU A 102 13.619 -21.824 -5.294 1.00 21.44 H new ATOM 0 HD11 LEU A 102 12.515 -24.022 -5.405 1.00 14.34 H new ATOM 0 HD12 LEU A 102 14.188 -24.091 -6.008 1.00 14.34 H new ATOM 0 HD13 LEU A 102 13.801 -24.714 -4.387 1.00 14.34 H new ATOM 0 HD21 LEU A 102 11.888 -22.417 -3.641 1.00 31.25 H new ATOM 0 HD22 LEU A 102 13.149 -23.043 -2.553 1.00 31.25 H new ATOM 0 HD23 LEU A 102 13.103 -21.311 -2.957 1.00 31.25 H new ATOM 1608 N GLU A 103 18.693 -22.724 -4.667 1.00 43.15 N ATOM 1609 CA GLU A 103 19.965 -22.014 -4.594 1.00 3.21 C ATOM 1610 C GLU A 103 20.436 -21.601 -5.986 1.00 63.23 C ATOM 1611 O GLU A 103 20.734 -20.436 -6.247 1.00 12.34 O ATOM 1612 CB GLU A 103 21.025 -22.890 -3.924 1.00 45.21 C ATOM 1613 CG GLU A 103 21.148 -22.657 -2.427 1.00 43.34 C ATOM 1614 CD GLU A 103 22.368 -23.333 -1.829 1.00 35.30 C ATOM 1615 OE1 GLU A 103 23.392 -23.441 -2.537 1.00 3.05 O ATOM 1616 OE2 GLU A 103 22.298 -23.755 -0.656 1.00 12.12 O1- ATOM 0 H GLU A 103 18.734 -23.695 -4.358 1.00 43.15 H new ATOM 0 HA GLU A 103 19.817 -21.114 -3.997 1.00 3.21 H new ATOM 0 HB2 GLU A 103 20.784 -23.938 -4.102 1.00 45.21 H new ATOM 0 HB3 GLU A 103 21.990 -22.701 -4.393 1.00 45.21 H new ATOM 0 HG2 GLU A 103 21.199 -21.586 -2.233 1.00 43.34 H new ATOM 0 HG3 GLU A 103 20.252 -23.028 -1.930 1.00 43.34 H new ATOM 1623 N PRO A 104 20.508 -22.579 -6.900 1.00 1.41 N ATOM 1624 CA PRO A 104 20.942 -22.342 -8.280 1.00 73.13 C ATOM 1625 C PRO A 104 19.924 -21.536 -9.079 1.00 4.23 C ATOM 1626 O PRO A 104 20.194 -21.116 -10.204 1.00 22.01 O ATOM 1627 CB PRO A 104 21.076 -23.754 -8.857 1.00 53.34 C ATOM 1628 CG PRO A 104 20.151 -24.588 -8.040 1.00 15.34 C ATOM 1629 CD PRO A 104 20.169 -23.992 -6.659 1.00 52.44 C ATOM 0 HA PRO A 104 21.862 -21.759 -8.323 1.00 73.13 H new ATOM 0 HB2 PRO A 104 20.803 -23.778 -9.912 1.00 53.34 H new ATOM 0 HB3 PRO A 104 22.102 -24.115 -8.785 1.00 53.34 H new ATOM 0 HG2 PRO A 104 19.144 -24.577 -8.457 1.00 15.34 H new ATOM 0 HG3 PRO A 104 20.477 -25.628 -8.021 1.00 15.34 H new ATOM 0 HD2 PRO A 104 19.203 -24.095 -6.165 1.00 52.44 H new ATOM 0 HD3 PRO A 104 20.907 -24.479 -6.021 1.00 52.44 H new ATOM 1637 N PHE A 105 18.751 -21.323 -8.490 1.00 2.15 N ATOM 1638 CA PHE A 105 17.692 -20.567 -9.146 1.00 32.10 C ATOM 1639 C PHE A 105 17.702 -19.109 -8.694 1.00 31.15 C ATOM 1640 O PHE A 105 17.111 -18.244 -9.338 1.00 64.30 O ATOM 1641 CB PHE A 105 16.329 -21.195 -8.851 1.00 54.33 C ATOM 1642 CG PHE A 105 16.206 -22.614 -9.329 1.00 41.41 C ATOM 1643 CD1 PHE A 105 16.919 -23.051 -10.434 1.00 74.43 C ATOM 1644 CD2 PHE A 105 15.378 -23.511 -8.674 1.00 1.41 C ATOM 1645 CE1 PHE A 105 16.810 -24.355 -10.876 1.00 11.53 C ATOM 1646 CE2 PHE A 105 15.264 -24.817 -9.111 1.00 3.32 C ATOM 1647 CZ PHE A 105 15.980 -25.239 -10.214 1.00 12.30 C ATOM 0 H PHE A 105 18.511 -21.664 -7.559 1.00 2.15 H new ATOM 0 HA PHE A 105 17.873 -20.596 -10.221 1.00 32.10 H new ATOM 0 HB2 PHE A 105 16.149 -21.165 -7.776 1.00 54.33 H new ATOM 0 HB3 PHE A 105 15.551 -20.593 -9.321 1.00 54.33 H new ATOM 0 HD1 PHE A 105 17.568 -22.363 -10.956 1.00 74.43 H new ATOM 0 HD2 PHE A 105 14.815 -23.186 -7.812 1.00 1.41 H new ATOM 0 HE1 PHE A 105 17.373 -24.683 -11.738 1.00 11.53 H new ATOM 0 HE2 PHE A 105 14.616 -25.507 -8.591 1.00 3.32 H new ATOM 0 HZ PHE A 105 15.891 -26.259 -10.559 1.00 12.30 H new ATOM 1657 N ILE A 106 18.377 -18.848 -7.580 1.00 24.22 N ATOM 1658 CA ILE A 106 18.465 -17.497 -7.040 1.00 75.54 C ATOM 1659 C ILE A 106 19.064 -16.535 -8.060 1.00 2.34 C ATOM 1660 O ILE A 106 18.580 -15.417 -8.233 1.00 3.54 O ATOM 1661 CB ILE A 106 19.313 -17.457 -5.755 1.00 33.34 C ATOM 1662 CG1 ILE A 106 18.523 -18.035 -4.579 1.00 1.44 C ATOM 1663 CG2 ILE A 106 19.755 -16.033 -5.455 1.00 24.41 C ATOM 1664 CD1 ILE A 106 19.397 -18.648 -3.507 1.00 25.24 C ATOM 0 H ILE A 106 18.871 -19.554 -7.034 1.00 24.22 H new ATOM 0 HA ILE A 106 17.447 -17.186 -6.804 1.00 75.54 H new ATOM 0 HB ILE A 106 20.203 -18.068 -5.906 1.00 33.34 H new ATOM 0 HG12 ILE A 106 17.918 -17.245 -4.135 1.00 1.44 H new ATOM 0 HG13 ILE A 106 17.834 -18.793 -4.952 1.00 1.44 H new ATOM 0 HG21 ILE A 106 20.353 -16.022 -4.544 1.00 24.41 H new ATOM 0 HG22 ILE A 106 20.351 -15.655 -6.285 1.00 24.41 H new ATOM 0 HG23 ILE A 106 18.878 -15.400 -5.321 1.00 24.41 H new ATOM 0 HD11 ILE A 106 18.770 -19.037 -2.705 1.00 25.24 H new ATOM 0 HD12 ILE A 106 19.983 -19.460 -3.936 1.00 25.24 H new ATOM 0 HD13 ILE A 106 20.068 -17.888 -3.106 1.00 25.24 H new ATOM 1676 N ALA A 107 20.120 -16.978 -8.735 1.00 3.35 N ATOM 1677 CA ALA A 107 20.782 -16.159 -9.742 1.00 34.20 C ATOM 1678 C ALA A 107 19.811 -15.750 -10.843 1.00 53.41 C ATOM 1679 O ALA A 107 19.808 -14.601 -11.286 1.00 32.33 O ATOM 1680 CB ALA A 107 21.970 -16.906 -10.332 1.00 64.22 C ATOM 0 H ALA A 107 20.535 -17.900 -8.602 1.00 3.35 H new ATOM 0 HA ALA A 107 21.142 -15.251 -9.257 1.00 34.20 H new ATOM 0 HB1 ALA A 107 22.455 -16.283 -11.083 1.00 64.22 H new ATOM 0 HB2 ALA A 107 22.682 -17.141 -9.540 1.00 64.22 H new ATOM 0 HB3 ALA A 107 21.625 -17.830 -10.796 1.00 64.22 H new ATOM 1686 N SER A 108 18.988 -16.697 -11.282 1.00 21.15 N ATOM 1687 CA SER A 108 18.014 -16.435 -12.336 1.00 44.42 C ATOM 1688 C SER A 108 17.187 -15.194 -12.014 1.00 32.13 C ATOM 1689 O SER A 108 16.647 -14.545 -12.911 1.00 64.31 O ATOM 1690 CB SER A 108 17.093 -17.644 -12.519 1.00 55.01 C ATOM 1691 OG SER A 108 17.530 -18.458 -13.593 1.00 5.42 O ATOM 0 H SER A 108 18.976 -17.652 -10.925 1.00 21.15 H new ATOM 0 HA SER A 108 18.557 -16.257 -13.264 1.00 44.42 H new ATOM 0 HB2 SER A 108 17.070 -18.230 -11.600 1.00 55.01 H new ATOM 0 HB3 SER A 108 16.074 -17.304 -12.707 1.00 55.01 H new ATOM 0 HG SER A 108 16.927 -19.224 -13.689 1.00 5.42 H new ATOM 1697 N LEU A 109 17.091 -14.871 -10.730 1.00 35.14 N ATOM 1698 CA LEU A 109 16.330 -13.708 -10.288 1.00 3.21 C ATOM 1699 C LEU A 109 17.100 -12.419 -10.555 1.00 12.12 C ATOM 1700 O LEU A 109 18.275 -12.450 -10.922 1.00 20.34 O ATOM 1701 CB LEU A 109 16.004 -13.823 -8.798 1.00 34.14 C ATOM 1702 CG LEU A 109 15.576 -15.207 -8.310 1.00 61.52 C ATOM 1703 CD1 LEU A 109 15.339 -15.193 -6.808 1.00 33.34 C ATOM 1704 CD2 LEU A 109 14.326 -15.669 -9.044 1.00 5.32 C ATOM 0 H LEU A 109 17.531 -15.398 -9.976 1.00 35.14 H new ATOM 0 HA LEU A 109 15.400 -13.677 -10.855 1.00 3.21 H new ATOM 0 HB2 LEU A 109 16.881 -13.515 -8.230 1.00 34.14 H new ATOM 0 HB3 LEU A 109 15.208 -13.115 -8.565 1.00 34.14 H new ATOM 0 HG LEU A 109 16.380 -15.911 -8.524 1.00 61.52 H new ATOM 0 HD11 LEU A 109 15.035 -16.186 -6.478 1.00 33.34 H new ATOM 0 HD12 LEU A 109 16.258 -14.907 -6.297 1.00 33.34 H new ATOM 0 HD13 LEU A 109 14.553 -14.476 -6.570 1.00 33.34 H new ATOM 0 HD21 LEU A 109 14.036 -16.656 -8.683 1.00 5.32 H new ATOM 0 HD22 LEU A 109 13.515 -14.964 -8.862 1.00 5.32 H new ATOM 0 HD23 LEU A 109 14.530 -15.719 -10.114 1.00 5.32 H new ATOM 1716 N LYS A 110 16.433 -11.287 -10.365 1.00 61.55 N ATOM 1717 CA LYS A 110 17.055 -9.986 -10.580 1.00 50.13 C ATOM 1718 C LYS A 110 17.106 -9.186 -9.282 1.00 22.31 C ATOM 1719 O LYS A 110 18.155 -8.630 -8.959 1.00 42.22 O ATOM 1720 CB LYS A 110 16.286 -9.200 -11.646 1.00 44.41 C ATOM 1721 CG LYS A 110 16.977 -7.915 -12.069 1.00 44.45 C ATOM 1722 CD LYS A 110 16.308 -6.695 -11.457 1.00 34.11 C ATOM 1723 CE LYS A 110 15.419 -5.983 -12.464 1.00 5.35 C ATOM 1724 NZ LYS A 110 16.200 -5.439 -13.609 1.00 30.41 N1+ ATOM 0 H LYS A 110 15.460 -11.244 -10.062 1.00 61.55 H new ATOM 0 HA LYS A 110 18.076 -10.152 -10.925 1.00 50.13 H new ATOM 0 HB2 LYS A 110 16.146 -9.833 -12.522 1.00 44.41 H new ATOM 0 HB3 LYS A 110 15.294 -8.961 -11.264 1.00 44.41 H new ATOM 0 HG2 LYS A 110 18.024 -7.947 -11.767 1.00 44.45 H new ATOM 0 HG3 LYS A 110 16.961 -7.833 -13.156 1.00 44.45 H new ATOM 0 HD2 LYS A 110 15.713 -6.999 -10.596 1.00 34.11 H new ATOM 0 HD3 LYS A 110 17.070 -6.006 -11.091 1.00 34.11 H new ATOM 0 HE2 LYS A 110 14.665 -6.676 -12.836 1.00 5.35 H new ATOM 0 HE3 LYS A 110 14.888 -5.170 -11.968 1.00 5.35 H new ATOM 0 HZ1 LYS A 110 15.721 -4.597 -13.987 1.00 30.41 H new ATOM 0 HZ2 LYS A 110 17.154 -5.179 -13.286 1.00 30.41 H new ATOM 0 HZ3 LYS A 110 16.272 -6.161 -14.354 1.00 30.41 H new TER 1738 LYS A 110 HETATM 1739 C1 PLM A 200 10.106 -27.709 -9.946 1.00 74.02 C HETATM 1740 O1 PLM A 200 9.100 -27.683 -9.027 1.00 23.33 O HETATM 1741 O2 PLM A 200 10.003 -28.251 -11.041 1.00 34.01 O HETATM 1742 C2 PLM A 200 11.392 -26.988 -9.461 1.00 54.31 C HETATM 1743 C3 PLM A 200 11.254 -25.440 -9.678 1.00 13.24 C HETATM 1744 C4 PLM A 200 11.621 -24.575 -8.452 1.00 51.32 C HETATM 1745 C5 PLM A 200 10.862 -23.235 -8.435 1.00 43.34 C HETATM 1746 C6 PLM A 200 11.242 -22.366 -7.221 1.00 53.20 C HETATM 1747 C7 PLM A 200 12.436 -21.438 -7.519 1.00 14.42 C HETATM 1748 C8 PLM A 200 12.319 -20.087 -6.789 1.00 54.50 C HETATM 1749 C9 PLM A 200 13.697 -19.507 -6.410 1.00 71.14 C HETATM 1750 CA PLM A 200 13.845 -19.142 -4.918 1.00 3.31 C HETATM 1751 CB PLM A 200 15.290 -18.697 -4.630 1.00 12.32 C HETATM 1752 CC PLM A 200 15.239 -17.871 -3.188 1.00 52.33 C HETATM 1753 CD PLM A 200 15.353 -18.839 -1.996 1.00 43.24 C HETATM 1754 CE PLM A 200 16.729 -19.531 -1.937 1.00 12.22 C HETATM 1755 CF PLM A 200 16.821 -20.543 -0.779 1.00 51.53 C HETATM 1756 CG PLM A 200 17.704 -21.744 -1.142 1.00 5.21 C HETATM 0 HG3 PLM A 200 17.286 -22.254 -2.010 1.00 5.21 H new HETATM 0 HG2 PLM A 200 18.711 -21.398 -1.375 1.00 5.21 H new HETATM 0 HG1 PLM A 200 17.743 -22.434 -0.299 1.00 5.21 H new HETATM 0 HF2 PLM A 200 17.225 -20.049 0.105 1.00 51.53 H new HETATM 0 HF1 PLM A 200 15.821 -20.892 -0.520 1.00 51.53 H new HETATM 0 HE2 PLM A 200 16.917 -20.043 -2.881 1.00 12.22 H new HETATM 0 HE1 PLM A 200 17.508 -18.778 -1.822 1.00 12.22 H new HETATM 0 HD2 PLM A 200 15.183 -18.292 -1.069 1.00 43.24 H new HETATM 0 HD1 PLM A 200 14.571 -19.595 -2.068 1.00 43.24 H new HETATM 0 HC2 PLM A 200 16.051 -17.145 -3.151 1.00 52.33 H new HETATM 0 HC1 PLM A 200 14.307 -17.310 -3.118 1.00 52.33 H new HETATM 0 HB2 PLM A 200 15.957 -19.557 -4.563 1.00 12.32 H new HETATM 0 HB1 PLM A 200 15.669 -18.061 -5.430 1.00 12.32 H new HETATM 0 HA2 PLM A 200 13.150 -18.343 -4.659 1.00 3.31 H new HETATM 0 HA1 PLM A 200 13.589 -20.000 -4.297 1.00 3.31 H new HETATM 0 H92 PLM A 200 14.468 -20.232 -6.673 1.00 71.14 H new HETATM 0 H91 PLM A 200 13.880 -18.615 -7.010 1.00 71.14 H new HETATM 0 H82 PLM A 200 11.791 -19.377 -7.425 1.00 54.50 H new HETATM 0 H81 PLM A 200 11.720 -20.214 -5.887 1.00 54.50 H new HETATM 0 H72 PLM A 200 13.361 -21.931 -7.220 1.00 14.42 H new HETATM 0 H71 PLM A 200 12.500 -21.264 -8.593 1.00 14.42 H new HETATM 0 H62 PLM A 200 10.383 -21.765 -6.923 1.00 53.20 H new HETATM 0 H61 PLM A 200 11.487 -23.011 -6.377 1.00 53.20 H new HETATM 0 H52 PLM A 200 11.075 -22.687 -9.353 1.00 43.34 H new HETATM 0 H51 PLM A 200 9.789 -23.427 -8.420 1.00 43.34 H new HETATM 0 H42 PLM A 200 11.398 -25.128 -7.540 1.00 51.32 H new HETATM 0 H41 PLM A 200 12.694 -24.383 -8.454 1.00 51.32 H new HETATM 0 H32 PLM A 200 11.889 -25.147 -10.514 1.00 13.24 H new HETATM 0 H31 PLM A 200 10.226 -25.219 -9.966 1.00 13.24 H new HETATM 0 H22 PLM A 200 11.563 -27.202 -8.406 1.00 54.31 H new HETATM 0 H21 PLM A 200 12.257 -27.364 -10.007 1.00 54.31 H new HETATM 0 H PLM A 200 9.324 -28.276 -8.280 1.00 23.33 H new