USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 931 hydrogens (64 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 30 GLN : amide:sc= -3.81 K(o=-8.1,f=-12!) USER MOD Set 1.2: A 32 ASN : amide:sc= -1.74 K(o=-8.1,f=-12!) USER MOD Set 1.3: A 41 GLN : amide:sc= -2.5 K(o=-8.1,f=-15!) USER MOD Set 2.1: A 1 MET N :NH3+ 170:sc=-0.000514 (180deg=-0.121) USER MOD Set 2.2: A 5 THR OG1 : rot -134:sc= -0.345 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.234 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.581 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 148:sc= -0.158 (180deg=-0.865) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.756 F(o=-1.4!,f=-0.76) USER MOD Single : A 58 SER OG : rot 54:sc= 1.01 USER MOD Single : A 62 THR OG1 : rot 174:sc= -0.626 USER MOD Single : A 64 THR OG1 : rot 178:sc= -0.743 USER MOD Single : A 70 MET CE :methyl -162:sc= -4.64 (180deg=-6.16) USER MOD Single : A 74 SER OG : rot 100:sc= -0.734 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -39:sc= 0.923 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 62:sc= 0.329 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.0019 X(o=-0.0019,f=0) USER MOD Single : A 107 HIS :FLIP no HE2:sc= -0.136 F(o=-1,f=-0.14) USER MOD Single : A 108 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.51) USER MOD Single : A 109 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.12) USER MOD Single : A 110 HIS : no HD1:sc= -0.0921 X(o=-0.092,f=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.0594 X(o=-0.059,f=0) USER MOD Single : A 201 PLM O1 : rot 130:sc= -1.74 USER MOD Single : A 202 PLM O1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 30.34 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 43.23 C ATOM 3 C MET A 1 3.259 -0.980 -1.163 1.00 31.55 C ATOM 4 O MET A 1 4.353 -0.699 -1.654 1.00 14.10 O ATOM 5 CB MET A 1 2.612 1.406 -1.547 1.00 53.32 C ATOM 6 CG MET A 1 2.684 1.718 -3.033 1.00 61.53 C ATOM 7 SD MET A 1 1.056 1.962 -3.771 1.00 43.22 S ATOM 8 CE MET A 1 0.955 3.750 -3.784 1.00 4.20 C ATOM 0 H1 MET A 1 0.650 0.787 -0.011 1.00 30.34 H new ATOM 0 H2 MET A 1 0.815 -0.899 0.092 1.00 30.34 H new ATOM 0 H3 MET A 1 1.977 0.113 0.806 1.00 30.34 H new ATOM 0 HA MET A 1 1.430 -0.319 -2.047 1.00 43.23 H new ATOM 0 HB2 MET A 1 1.965 2.136 -1.062 1.00 53.32 H new ATOM 0 HB3 MET A 1 3.605 1.521 -1.111 1.00 53.32 H new ATOM 0 HG2 MET A 1 3.285 2.615 -3.183 1.00 61.53 H new ATOM 0 HG3 MET A 1 3.193 0.903 -3.547 1.00 61.53 H new ATOM 0 HE1 MET A 1 0.001 4.057 -4.213 1.00 4.20 H new ATOM 0 HE2 MET A 1 1.032 4.126 -2.764 1.00 4.20 H new ATOM 0 HE3 MET A 1 1.770 4.156 -4.383 1.00 4.20 H new ATOM 18 N SER A 2 3.019 -2.130 -0.541 1.00 23.13 N ATOM 19 CA SER A 2 4.052 -3.149 -0.393 1.00 70.22 C ATOM 20 C SER A 2 3.824 -4.298 -1.371 1.00 60.42 C ATOM 21 O SER A 2 3.010 -4.196 -2.289 1.00 33.03 O ATOM 22 CB SER A 2 4.072 -3.682 1.041 1.00 14.01 C ATOM 23 OG SER A 2 5.306 -4.315 1.333 1.00 44.23 O ATOM 0 H SER A 2 2.119 -2.379 -0.132 1.00 23.13 H new ATOM 0 HA SER A 2 5.015 -2.690 -0.615 1.00 70.22 H new ATOM 0 HB2 SER A 2 3.906 -2.862 1.739 1.00 14.01 H new ATOM 0 HB3 SER A 2 3.255 -4.390 1.181 1.00 14.01 H new ATOM 0 HG SER A 2 5.294 -4.645 2.256 1.00 44.23 H new ATOM 29 N VAL A 3 4.550 -5.393 -1.167 1.00 5.10 N ATOM 30 CA VAL A 3 4.428 -6.563 -2.029 1.00 74.43 C ATOM 31 C VAL A 3 2.968 -6.962 -2.210 1.00 53.33 C ATOM 32 O VAL A 3 2.592 -7.526 -3.237 1.00 14.34 O ATOM 33 CB VAL A 3 5.210 -7.762 -1.461 1.00 11.31 C ATOM 34 CG1 VAL A 3 4.396 -8.472 -0.390 1.00 62.02 C ATOM 35 CG2 VAL A 3 5.593 -8.724 -2.576 1.00 71.40 C ATOM 0 H VAL A 3 5.229 -5.494 -0.412 1.00 5.10 H new ATOM 0 HA VAL A 3 4.849 -6.289 -2.996 1.00 74.43 H new ATOM 0 HB VAL A 3 6.126 -7.391 -1.001 1.00 11.31 H new ATOM 0 HG11 VAL A 3 4.965 -9.316 -0.001 1.00 62.02 H new ATOM 0 HG12 VAL A 3 4.177 -7.777 0.421 1.00 62.02 H new ATOM 0 HG13 VAL A 3 3.462 -8.832 -0.822 1.00 62.02 H new ATOM 0 HG21 VAL A 3 6.145 -9.565 -2.157 1.00 71.40 H new ATOM 0 HG22 VAL A 3 4.691 -9.090 -3.067 1.00 71.40 H new ATOM 0 HG23 VAL A 3 6.218 -8.207 -3.304 1.00 71.40 H new ATOM 45 N GLU A 4 2.150 -6.664 -1.206 1.00 43.03 N ATOM 46 CA GLU A 4 0.730 -6.992 -1.255 1.00 11.43 C ATOM 47 C GLU A 4 0.029 -6.212 -2.364 1.00 22.33 C ATOM 48 O GLU A 4 -0.814 -6.752 -3.081 1.00 35.51 O ATOM 49 CB GLU A 4 0.067 -6.693 0.091 1.00 73.40 C ATOM 50 CG GLU A 4 -1.425 -6.976 0.111 1.00 34.13 C ATOM 51 CD GLU A 4 -1.814 -7.981 1.178 1.00 73.21 C ATOM 52 OE1 GLU A 4 -2.510 -8.962 0.843 1.00 60.22 O ATOM 53 OE2 GLU A 4 -1.423 -7.786 2.348 1.00 42.52 O1- ATOM 0 H GLU A 4 2.446 -6.196 -0.349 1.00 43.03 H new ATOM 0 HA GLU A 4 0.637 -8.057 -1.469 1.00 11.43 H new ATOM 0 HB2 GLU A 4 0.551 -7.288 0.865 1.00 73.40 H new ATOM 0 HB3 GLU A 4 0.233 -5.646 0.343 1.00 73.40 H new ATOM 0 HG2 GLU A 4 -1.965 -6.045 0.280 1.00 34.13 H new ATOM 0 HG3 GLU A 4 -1.733 -7.351 -0.865 1.00 34.13 H new ATOM 60 N THR A 5 0.384 -4.938 -2.499 1.00 74.04 N ATOM 61 CA THR A 5 -0.210 -4.083 -3.518 1.00 61.14 C ATOM 62 C THR A 5 0.246 -4.492 -4.914 1.00 11.11 C ATOM 63 O THR A 5 -0.477 -4.305 -5.893 1.00 53.10 O ATOM 64 CB THR A 5 0.147 -2.602 -3.286 1.00 23.45 C ATOM 65 OG1 THR A 5 0.157 -2.314 -1.884 1.00 72.15 O ATOM 66 CG2 THR A 5 -0.847 -1.690 -3.989 1.00 71.31 C ATOM 0 H THR A 5 1.081 -4.476 -1.915 1.00 74.04 H new ATOM 0 HA THR A 5 -1.291 -4.205 -3.442 1.00 61.14 H new ATOM 0 HB THR A 5 1.139 -2.421 -3.700 1.00 23.45 H new ATOM 0 HG1 THR A 5 -0.327 -1.478 -1.718 1.00 72.15 H new ATOM 0 HG21 THR A 5 -0.575 -0.650 -3.811 1.00 71.31 H new ATOM 0 HG22 THR A 5 -0.831 -1.891 -5.060 1.00 71.31 H new ATOM 0 HG23 THR A 5 -1.848 -1.875 -3.600 1.00 71.31 H new ATOM 74 N ILE A 6 1.449 -5.050 -4.998 1.00 14.44 N ATOM 75 CA ILE A 6 2.000 -5.487 -6.275 1.00 13.03 C ATOM 76 C ILE A 6 1.298 -6.744 -6.775 1.00 73.35 C ATOM 77 O ILE A 6 0.860 -6.807 -7.925 1.00 33.51 O ATOM 78 CB ILE A 6 3.511 -5.764 -6.170 1.00 41.41 C ATOM 79 CG1 ILE A 6 4.187 -4.703 -5.299 1.00 24.24 C ATOM 80 CG2 ILE A 6 4.141 -5.799 -7.555 1.00 42.51 C ATOM 81 CD1 ILE A 6 3.847 -3.285 -5.700 1.00 64.21 C ATOM 0 H ILE A 6 2.060 -5.210 -4.197 1.00 14.44 H new ATOM 0 HA ILE A 6 1.836 -4.676 -6.984 1.00 13.03 H new ATOM 0 HB ILE A 6 3.655 -6.738 -5.702 1.00 41.41 H new ATOM 0 HG12 ILE A 6 3.895 -4.858 -4.260 1.00 24.24 H new ATOM 0 HG13 ILE A 6 5.267 -4.837 -5.350 1.00 24.24 H new ATOM 0 HG21 ILE A 6 5.209 -5.996 -7.464 1.00 42.51 H new ATOM 0 HG22 ILE A 6 3.676 -6.588 -8.146 1.00 42.51 H new ATOM 0 HG23 ILE A 6 3.990 -4.839 -8.048 1.00 42.51 H new ATOM 0 HD11 ILE A 6 4.361 -2.587 -5.039 1.00 64.21 H new ATOM 0 HD12 ILE A 6 4.164 -3.112 -6.728 1.00 64.21 H new ATOM 0 HD13 ILE A 6 2.771 -3.133 -5.621 1.00 64.21 H new ATOM 93 N ILE A 7 1.191 -7.742 -5.905 1.00 51.41 N ATOM 94 CA ILE A 7 0.539 -8.997 -6.258 1.00 0.02 C ATOM 95 C ILE A 7 -0.968 -8.813 -6.398 1.00 53.31 C ATOM 96 O ILE A 7 -1.609 -9.466 -7.221 1.00 54.10 O ATOM 97 CB ILE A 7 0.816 -10.090 -5.209 1.00 13.24 C ATOM 98 CG1 ILE A 7 2.317 -10.367 -5.113 1.00 70.25 C ATOM 99 CG2 ILE A 7 0.058 -11.362 -5.557 1.00 54.25 C ATOM 100 CD1 ILE A 7 2.918 -10.891 -6.399 1.00 52.51 C ATOM 0 H ILE A 7 1.548 -7.706 -4.950 1.00 51.41 H new ATOM 0 HA ILE A 7 0.955 -9.310 -7.216 1.00 0.02 H new ATOM 0 HB ILE A 7 0.468 -9.737 -4.238 1.00 13.24 H new ATOM 0 HG12 ILE A 7 2.830 -9.448 -4.829 1.00 70.25 H new ATOM 0 HG13 ILE A 7 2.495 -11.090 -4.317 1.00 70.25 H new ATOM 0 HG21 ILE A 7 0.264 -12.125 -4.806 1.00 54.25 H new ATOM 0 HG22 ILE A 7 -1.012 -11.154 -5.579 1.00 54.25 H new ATOM 0 HG23 ILE A 7 0.378 -11.720 -6.536 1.00 54.25 H new ATOM 0 HD11 ILE A 7 3.985 -11.065 -6.258 1.00 52.51 H new ATOM 0 HD12 ILE A 7 2.431 -11.827 -6.673 1.00 52.51 H new ATOM 0 HD13 ILE A 7 2.772 -10.159 -7.194 1.00 52.51 H new ATOM 112 N GLU A 8 -1.527 -7.917 -5.590 1.00 35.43 N ATOM 113 CA GLU A 8 -2.959 -7.646 -5.626 1.00 71.25 C ATOM 114 C GLU A 8 -3.416 -7.319 -7.044 1.00 71.52 C ATOM 115 O GLU A 8 -4.541 -7.634 -7.434 1.00 32.54 O ATOM 116 CB GLU A 8 -3.305 -6.489 -4.687 1.00 71.25 C ATOM 117 CG GLU A 8 -3.697 -6.935 -3.288 1.00 15.12 C ATOM 118 CD GLU A 8 -5.198 -6.943 -3.077 1.00 1.01 C ATOM 119 OE1 GLU A 8 -5.706 -7.905 -2.464 1.00 75.25 O ATOM 120 OE2 GLU A 8 -5.866 -5.987 -3.524 1.00 14.41 O1- ATOM 0 H GLU A 8 -1.010 -7.367 -4.903 1.00 35.43 H new ATOM 0 HA GLU A 8 -3.481 -8.543 -5.293 1.00 71.25 H new ATOM 0 HB2 GLU A 8 -2.448 -5.819 -4.619 1.00 71.25 H new ATOM 0 HB3 GLU A 8 -4.125 -5.915 -5.119 1.00 71.25 H new ATOM 0 HG2 GLU A 8 -3.303 -7.935 -3.106 1.00 15.12 H new ATOM 0 HG3 GLU A 8 -3.235 -6.272 -2.557 1.00 15.12 H new ATOM 127 N ARG A 9 -2.536 -6.685 -7.812 1.00 14.15 N ATOM 128 CA ARG A 9 -2.848 -6.313 -9.186 1.00 33.34 C ATOM 129 C ARG A 9 -2.778 -7.527 -10.107 1.00 22.34 C ATOM 130 O ARG A 9 -3.519 -7.619 -11.087 1.00 52.23 O ATOM 131 CB ARG A 9 -1.884 -5.231 -9.676 1.00 41.22 C ATOM 132 CG ARG A 9 -2.423 -3.818 -9.519 1.00 63.41 C ATOM 133 CD ARG A 9 -1.663 -3.048 -8.451 1.00 44.44 C ATOM 134 NE ARG A 9 -1.864 -1.606 -8.568 1.00 1.20 N ATOM 135 CZ ARG A 9 -2.943 -0.975 -8.119 1.00 43.43 C ATOM 136 NH1 ARG A 9 -3.913 -1.655 -7.524 1.00 23.04 N1+ ATOM 137 NH2 ARG A 9 -3.052 0.339 -8.263 1.00 51.24 N ATOM 0 H ARG A 9 -1.601 -6.418 -7.505 1.00 14.15 H new ATOM 0 HA ARG A 9 -3.865 -5.920 -9.207 1.00 33.34 H new ATOM 0 HB2 ARG A 9 -0.946 -5.316 -9.127 1.00 41.22 H new ATOM 0 HB3 ARG A 9 -1.655 -5.409 -10.727 1.00 41.22 H new ATOM 0 HG2 ARG A 9 -2.349 -3.291 -10.471 1.00 63.41 H new ATOM 0 HG3 ARG A 9 -3.480 -3.858 -9.258 1.00 63.41 H new ATOM 0 HD2 ARG A 9 -1.987 -3.380 -7.465 1.00 44.44 H new ATOM 0 HD3 ARG A 9 -0.599 -3.273 -8.530 1.00 44.44 H new ATOM 0 HE ARG A 9 -1.135 -1.053 -9.019 1.00 1.20 H new ATOM 0 HH11 ARG A 9 -3.832 -2.665 -7.410 1.00 23.04 H new ATOM 0 HH12 ARG A 9 -4.741 -1.168 -7.180 1.00 23.04 H new ATOM 0 HH21 ARG A 9 -2.307 0.866 -8.719 1.00 51.24 H new ATOM 0 HH22 ARG A 9 -3.881 0.823 -7.918 1.00 51.24 H new ATOM 151 N ILE A 10 -1.884 -8.455 -9.787 1.00 40.41 N ATOM 152 CA ILE A 10 -1.718 -9.664 -10.585 1.00 14.34 C ATOM 153 C ILE A 10 -2.874 -10.632 -10.363 1.00 62.03 C ATOM 154 O ILE A 10 -3.557 -11.028 -11.307 1.00 74.00 O ATOM 155 CB ILE A 10 -0.393 -10.378 -10.256 1.00 5.51 C ATOM 156 CG1 ILE A 10 0.793 -9.449 -10.524 1.00 24.51 C ATOM 157 CG2 ILE A 10 -0.265 -11.657 -11.070 1.00 55.12 C ATOM 158 CD1 ILE A 10 2.056 -9.859 -9.800 1.00 13.02 C ATOM 0 H ILE A 10 -1.263 -8.394 -8.980 1.00 40.41 H new ATOM 0 HA ILE A 10 -1.704 -9.353 -11.630 1.00 14.34 H new ATOM 0 HB ILE A 10 -0.392 -10.641 -9.198 1.00 5.51 H new ATOM 0 HG12 ILE A 10 0.990 -9.424 -11.596 1.00 24.51 H new ATOM 0 HG13 ILE A 10 0.525 -8.435 -10.225 1.00 24.51 H new ATOM 0 HG21 ILE A 10 0.676 -12.150 -10.827 1.00 55.12 H new ATOM 0 HG22 ILE A 10 -1.095 -12.323 -10.835 1.00 55.12 H new ATOM 0 HG23 ILE A 10 -0.284 -11.415 -12.133 1.00 55.12 H new ATOM 0 HD11 ILE A 10 2.855 -9.156 -10.036 1.00 13.02 H new ATOM 0 HD12 ILE A 10 1.876 -9.856 -8.725 1.00 13.02 H new ATOM 0 HD13 ILE A 10 2.348 -10.860 -10.117 1.00 13.02 H new ATOM 170 N LYS A 11 -3.089 -11.010 -9.107 1.00 61.13 N ATOM 171 CA LYS A 11 -4.165 -11.930 -8.758 1.00 50.23 C ATOM 172 C LYS A 11 -5.479 -11.500 -9.402 1.00 62.52 C ATOM 173 O LYS A 11 -6.304 -12.336 -9.770 1.00 43.22 O ATOM 174 CB LYS A 11 -4.329 -12.003 -7.239 1.00 4.34 C ATOM 175 CG LYS A 11 -4.226 -10.653 -6.550 1.00 75.22 C ATOM 176 CD LYS A 11 -5.308 -10.479 -5.498 1.00 21.30 C ATOM 177 CE LYS A 11 -6.264 -9.354 -5.863 1.00 45.52 C ATOM 178 NZ LYS A 11 -7.655 -9.641 -5.416 1.00 13.21 N1+ ATOM 0 H LYS A 11 -2.532 -10.693 -8.314 1.00 61.13 H new ATOM 0 HA LYS A 11 -3.902 -12.918 -9.136 1.00 50.23 H new ATOM 0 HB2 LYS A 11 -5.297 -12.447 -7.008 1.00 4.34 H new ATOM 0 HB3 LYS A 11 -3.568 -12.668 -6.831 1.00 4.34 H new ATOM 0 HG2 LYS A 11 -3.245 -10.555 -6.084 1.00 75.22 H new ATOM 0 HG3 LYS A 11 -4.307 -9.858 -7.291 1.00 75.22 H new ATOM 0 HD2 LYS A 11 -5.864 -11.410 -5.389 1.00 21.30 H new ATOM 0 HD3 LYS A 11 -4.848 -10.268 -4.533 1.00 21.30 H new ATOM 0 HE2 LYS A 11 -5.921 -8.424 -5.409 1.00 45.52 H new ATOM 0 HE3 LYS A 11 -6.253 -9.204 -6.943 1.00 45.52 H new ATOM 0 HZ1 LYS A 11 -8.276 -8.851 -5.684 1.00 13.21 H new ATOM 0 HZ2 LYS A 11 -7.992 -10.514 -5.869 1.00 13.21 H new ATOM 0 HZ3 LYS A 11 -7.670 -9.759 -4.383 1.00 13.21 H new ATOM 192 N ALA A 12 -5.667 -10.191 -9.536 1.00 55.14 N ATOM 193 CA ALA A 12 -6.879 -9.651 -10.138 1.00 34.34 C ATOM 194 C ALA A 12 -6.846 -9.787 -11.656 1.00 55.24 C ATOM 195 O ALA A 12 -7.860 -10.090 -12.285 1.00 10.40 O ATOM 196 CB ALA A 12 -7.061 -8.193 -9.741 1.00 45.33 C ATOM 0 H ALA A 12 -4.995 -9.485 -9.235 1.00 55.14 H new ATOM 0 HA ALA A 12 -7.727 -10.226 -9.766 1.00 34.34 H new ATOM 0 HB1 ALA A 12 -7.970 -7.802 -10.198 1.00 45.33 H new ATOM 0 HB2 ALA A 12 -7.139 -8.118 -8.656 1.00 45.33 H new ATOM 0 HB3 ALA A 12 -6.204 -7.613 -10.084 1.00 45.33 H new ATOM 202 N ARG A 13 -5.673 -9.561 -12.240 1.00 1.42 N ATOM 203 CA ARG A 13 -5.509 -9.656 -13.686 1.00 42.34 C ATOM 204 C ARG A 13 -5.610 -11.107 -14.150 1.00 75.41 C ATOM 205 O ARG A 13 -6.361 -11.423 -15.072 1.00 71.34 O ATOM 206 CB ARG A 13 -4.161 -9.069 -14.107 1.00 55.21 C ATOM 207 CG ARG A 13 -3.954 -9.035 -15.613 1.00 12.20 C ATOM 208 CD ARG A 13 -5.044 -8.232 -16.306 1.00 25.52 C ATOM 209 NE ARG A 13 -4.495 -7.300 -17.288 1.00 14.11 N ATOM 210 CZ ARG A 13 -4.123 -7.657 -18.512 1.00 35.11 C ATOM 211 NH1 ARG A 13 -4.239 -8.918 -18.903 1.00 42.00 N1+ ATOM 212 NH2 ARG A 13 -3.633 -6.750 -19.348 1.00 54.31 N ATOM 0 H ARG A 13 -4.823 -9.311 -11.734 1.00 1.42 H new ATOM 0 HA ARG A 13 -6.310 -9.085 -14.156 1.00 42.34 H new ATOM 0 HB2 ARG A 13 -4.077 -8.056 -13.714 1.00 55.21 H new ATOM 0 HB3 ARG A 13 -3.362 -9.654 -13.652 1.00 55.21 H new ATOM 0 HG2 ARG A 13 -2.981 -8.599 -15.838 1.00 12.20 H new ATOM 0 HG3 ARG A 13 -3.946 -10.053 -16.004 1.00 12.20 H new ATOM 0 HD2 ARG A 13 -5.738 -8.913 -16.800 1.00 25.52 H new ATOM 0 HD3 ARG A 13 -5.616 -7.679 -15.561 1.00 25.52 H new ATOM 0 HE ARG A 13 -4.392 -6.322 -17.019 1.00 14.11 H new ATOM 0 HH11 ARG A 13 -4.615 -9.618 -18.263 1.00 42.00 H new ATOM 0 HH12 ARG A 13 -3.952 -9.189 -19.844 1.00 42.00 H new ATOM 0 HH21 ARG A 13 -3.542 -5.779 -19.050 1.00 54.31 H new ATOM 0 HH22 ARG A 13 -3.347 -7.024 -20.288 1.00 54.31 H new ATOM 226 N VAL A 14 -4.849 -11.984 -13.503 1.00 22.42 N ATOM 227 CA VAL A 14 -4.854 -13.401 -13.849 1.00 65.13 C ATOM 228 C VAL A 14 -6.275 -13.951 -13.893 1.00 11.41 C ATOM 229 O VAL A 14 -6.647 -14.664 -14.824 1.00 11.41 O ATOM 230 CB VAL A 14 -4.027 -14.226 -12.845 1.00 21.10 C ATOM 231 CG1 VAL A 14 -2.542 -14.105 -13.150 1.00 11.02 C ATOM 232 CG2 VAL A 14 -4.325 -13.784 -11.420 1.00 61.14 C ATOM 0 H VAL A 14 -4.222 -11.739 -12.737 1.00 22.42 H new ATOM 0 HA VAL A 14 -4.404 -13.487 -14.838 1.00 65.13 H new ATOM 0 HB VAL A 14 -4.309 -15.274 -12.943 1.00 21.10 H new ATOM 0 HG11 VAL A 14 -1.974 -14.694 -12.431 1.00 11.02 H new ATOM 0 HG12 VAL A 14 -2.346 -14.474 -14.157 1.00 11.02 H new ATOM 0 HG13 VAL A 14 -2.241 -13.060 -13.082 1.00 11.02 H new ATOM 0 HG21 VAL A 14 -3.732 -14.377 -10.724 1.00 61.14 H new ATOM 0 HG22 VAL A 14 -4.072 -12.730 -11.306 1.00 61.14 H new ATOM 0 HG23 VAL A 14 -5.385 -13.928 -11.209 1.00 61.14 H new ATOM 242 N GLY A 15 -7.067 -13.613 -12.880 1.00 21.44 N ATOM 243 CA GLY A 15 -8.439 -14.082 -12.823 1.00 52.30 C ATOM 244 C GLY A 15 -9.374 -13.242 -13.669 1.00 73.25 C ATOM 245 O GLY A 15 -10.585 -13.461 -13.672 1.00 42.21 O ATOM 0 H GLY A 15 -6.783 -13.023 -12.098 1.00 21.44 H new ATOM 0 HA2 GLY A 15 -8.480 -15.118 -13.161 1.00 52.30 H new ATOM 0 HA3 GLY A 15 -8.781 -14.070 -11.788 1.00 52.30 H new ATOM 249 N ALA A 16 -8.812 -12.276 -14.389 1.00 11.20 N ATOM 250 CA ALA A 16 -9.604 -11.400 -15.244 1.00 51.25 C ATOM 251 C ALA A 16 -9.146 -11.489 -16.695 1.00 3.23 C ATOM 252 O ALA A 16 -9.673 -10.799 -17.567 1.00 4.14 O ATOM 253 CB ALA A 16 -9.521 -9.964 -14.749 1.00 14.21 C ATOM 0 H ALA A 16 -7.811 -12.080 -14.397 1.00 11.20 H new ATOM 0 HA ALA A 16 -10.642 -11.729 -15.198 1.00 51.25 H new ATOM 0 HB1 ALA A 16 -10.117 -9.321 -15.397 1.00 14.21 H new ATOM 0 HB2 ALA A 16 -9.904 -9.908 -13.730 1.00 14.21 H new ATOM 0 HB3 ALA A 16 -8.483 -9.633 -14.765 1.00 14.21 H new ATOM 259 N VAL A 17 -8.159 -12.344 -16.949 1.00 61.40 N ATOM 260 CA VAL A 17 -7.630 -12.523 -18.295 1.00 25.41 C ATOM 261 C VAL A 17 -8.749 -12.806 -19.292 1.00 62.03 C ATOM 262 O VAL A 17 -9.657 -13.590 -19.016 1.00 65.32 O ATOM 263 CB VAL A 17 -6.608 -13.674 -18.348 1.00 5.11 C ATOM 264 CG1 VAL A 17 -6.349 -14.093 -19.787 1.00 42.13 C ATOM 265 CG2 VAL A 17 -5.313 -13.268 -17.661 1.00 53.34 C ATOM 0 H VAL A 17 -7.710 -12.923 -16.239 1.00 61.40 H new ATOM 0 HA VAL A 17 -7.132 -11.592 -18.566 1.00 25.41 H new ATOM 0 HB VAL A 17 -7.023 -14.530 -17.815 1.00 5.11 H new ATOM 0 HG11 VAL A 17 -5.624 -14.907 -19.804 1.00 42.13 H new ATOM 0 HG12 VAL A 17 -7.281 -14.427 -20.242 1.00 42.13 H new ATOM 0 HG13 VAL A 17 -5.955 -13.245 -20.348 1.00 42.13 H new ATOM 0 HG21 VAL A 17 -4.602 -14.093 -17.708 1.00 53.34 H new ATOM 0 HG22 VAL A 17 -4.892 -12.397 -18.164 1.00 53.34 H new ATOM 0 HG23 VAL A 17 -5.516 -13.022 -16.619 1.00 53.34 H new ATOM 275 N ASP A 18 -8.676 -12.162 -20.452 1.00 53.03 N ATOM 276 CA ASP A 18 -9.682 -12.345 -21.492 1.00 53.12 C ATOM 277 C ASP A 18 -9.152 -13.237 -22.610 1.00 33.02 C ATOM 278 O ASP A 18 -7.971 -13.205 -22.956 1.00 11.13 O ATOM 279 CB ASP A 18 -10.109 -10.991 -22.062 1.00 41.05 C ATOM 280 CG ASP A 18 -11.138 -10.295 -21.192 1.00 3.44 C ATOM 281 OD1 ASP A 18 -11.894 -9.455 -21.723 1.00 41.35 O ATOM 282 OD2 ASP A 18 -11.187 -10.591 -19.980 1.00 43.50 O1- ATOM 0 H ASP A 18 -7.931 -11.509 -20.696 1.00 53.03 H new ATOM 0 HA ASP A 18 -10.548 -12.831 -21.044 1.00 53.12 H new ATOM 0 HB2 ASP A 18 -9.233 -10.351 -22.166 1.00 41.05 H new ATOM 0 HB3 ASP A 18 -10.520 -11.134 -23.062 1.00 41.05 H new ATOM 287 N PRO A 19 -10.044 -14.053 -23.190 1.00 61.33 N ATOM 288 CA PRO A 19 -9.689 -14.970 -24.277 1.00 24.45 C ATOM 289 C PRO A 19 -9.372 -14.235 -25.575 1.00 52.45 C ATOM 290 O PRO A 19 -8.885 -14.832 -26.534 1.00 60.01 O ATOM 291 CB PRO A 19 -10.946 -15.829 -24.442 1.00 44.51 C ATOM 292 CG PRO A 19 -12.057 -14.975 -23.935 1.00 61.04 C ATOM 293 CD PRO A 19 -11.469 -14.144 -22.828 1.00 65.12 C ATOM 0 HA PRO A 19 -8.791 -15.544 -24.049 1.00 24.45 H new ATOM 0 HB2 PRO A 19 -11.103 -16.105 -25.485 1.00 44.51 H new ATOM 0 HB3 PRO A 19 -10.869 -16.757 -23.875 1.00 44.51 H new ATOM 0 HG2 PRO A 19 -12.456 -14.342 -24.728 1.00 61.04 H new ATOM 0 HG3 PRO A 19 -12.882 -15.585 -23.568 1.00 61.04 H new ATOM 0 HD2 PRO A 19 -11.934 -13.159 -22.774 1.00 65.12 H new ATOM 0 HD3 PRO A 19 -11.607 -14.615 -21.855 1.00 65.12 H new ATOM 301 N ASN A 20 -9.652 -12.936 -25.597 1.00 14.21 N ATOM 302 CA ASN A 20 -9.396 -12.119 -26.778 1.00 51.20 C ATOM 303 C ASN A 20 -7.915 -11.774 -26.890 1.00 32.21 C ATOM 304 O ASN A 20 -7.371 -11.674 -27.990 1.00 25.02 O ATOM 305 CB ASN A 20 -10.228 -10.836 -26.726 1.00 64.43 C ATOM 306 CG ASN A 20 -11.389 -10.860 -27.701 1.00 2.35 C ATOM 307 OD1 ASN A 20 -11.444 -10.063 -28.638 1.00 4.13 O ATOM 308 ND2 ASN A 20 -12.325 -11.777 -27.484 1.00 52.44 N ATOM 0 H ASN A 20 -10.056 -12.427 -24.811 1.00 14.21 H new ATOM 0 HA ASN A 20 -9.684 -12.695 -27.657 1.00 51.20 H new ATOM 0 HB2 ASN A 20 -10.609 -10.694 -25.715 1.00 64.43 H new ATOM 0 HB3 ASN A 20 -9.588 -9.982 -26.948 1.00 64.43 H new ATOM 0 HD21 ASN A 20 -13.130 -11.841 -28.107 1.00 52.44 H new ATOM 0 HD22 ASN A 20 -12.238 -12.417 -26.695 1.00 52.44 H new ATOM 315 N GLY A 21 -7.266 -11.593 -25.744 1.00 50.52 N ATOM 316 CA GLY A 21 -5.853 -11.261 -25.735 1.00 62.51 C ATOM 317 C GLY A 21 -4.969 -12.486 -25.854 1.00 11.23 C ATOM 318 O GLY A 21 -4.634 -12.932 -26.952 1.00 25.24 O ATOM 0 H GLY A 21 -7.694 -11.670 -24.821 1.00 50.52 H new ATOM 0 HA2 GLY A 21 -5.638 -10.580 -26.558 1.00 62.51 H new ATOM 0 HA3 GLY A 21 -5.613 -10.732 -24.813 1.00 62.51 H new ATOM 322 N PRO A 22 -4.576 -13.051 -24.703 1.00 62.45 N ATOM 323 CA PRO A 22 -3.719 -14.240 -24.657 1.00 23.24 C ATOM 324 C PRO A 22 -4.440 -15.494 -25.140 1.00 51.52 C ATOM 325 O PRO A 22 -5.527 -15.414 -25.713 1.00 44.23 O ATOM 326 CB PRO A 22 -3.365 -14.365 -23.173 1.00 44.15 C ATOM 327 CG PRO A 22 -4.486 -13.691 -22.459 1.00 54.42 C ATOM 328 CD PRO A 22 -4.938 -12.574 -23.358 1.00 52.42 C ATOM 0 HA PRO A 22 -2.851 -14.142 -25.310 1.00 23.24 H new ATOM 0 HB2 PRO A 22 -3.276 -15.409 -22.874 1.00 44.15 H new ATOM 0 HB3 PRO A 22 -2.410 -13.887 -22.952 1.00 44.15 H new ATOM 0 HG2 PRO A 22 -5.300 -14.389 -22.264 1.00 54.42 H new ATOM 0 HG3 PRO A 22 -4.158 -13.306 -21.493 1.00 54.42 H new ATOM 0 HD2 PRO A 22 -6.010 -12.396 -23.270 1.00 52.42 H new ATOM 0 HD3 PRO A 22 -4.438 -11.636 -23.116 1.00 52.42 H new ATOM 336 N ARG A 23 -3.830 -16.650 -24.904 1.00 3.14 N ATOM 337 CA ARG A 23 -4.414 -17.921 -25.315 1.00 53.14 C ATOM 338 C ARG A 23 -4.051 -19.030 -24.332 1.00 53.31 C ATOM 339 O ARG A 23 -3.170 -18.863 -23.488 1.00 11.32 O ATOM 340 CB ARG A 23 -3.937 -18.294 -26.720 1.00 65.52 C ATOM 341 CG ARG A 23 -4.513 -17.409 -27.814 1.00 43.32 C ATOM 342 CD ARG A 23 -6.033 -17.445 -27.817 1.00 4.23 C ATOM 343 NE ARG A 23 -6.569 -17.820 -29.123 1.00 13.13 N ATOM 344 CZ ARG A 23 -6.654 -19.076 -29.549 1.00 63.53 C ATOM 345 NH1 ARG A 23 -6.241 -20.071 -28.777 1.00 60.23 N1+ ATOM 346 NH2 ARG A 23 -7.154 -19.337 -30.750 1.00 32.33 N ATOM 0 H ARG A 23 -2.931 -16.733 -24.430 1.00 3.14 H new ATOM 0 HA ARG A 23 -5.498 -17.808 -25.324 1.00 53.14 H new ATOM 0 HB2 ARG A 23 -2.849 -18.236 -26.753 1.00 65.52 H new ATOM 0 HB3 ARG A 23 -4.207 -19.330 -26.923 1.00 65.52 H new ATOM 0 HG2 ARG A 23 -4.173 -16.383 -27.671 1.00 43.32 H new ATOM 0 HG3 ARG A 23 -4.138 -17.737 -28.784 1.00 43.32 H new ATOM 0 HD2 ARG A 23 -6.380 -18.154 -27.065 1.00 4.23 H new ATOM 0 HD3 ARG A 23 -6.419 -16.466 -27.534 1.00 4.23 H new ATOM 0 HE ARG A 23 -6.896 -17.078 -29.742 1.00 13.13 H new ATOM 0 HH11 ARG A 23 -5.857 -19.874 -27.853 1.00 60.23 H new ATOM 0 HH12 ARG A 23 -6.308 -21.034 -29.107 1.00 60.23 H new ATOM 0 HH21 ARG A 23 -7.473 -18.574 -31.346 1.00 32.33 H new ATOM 0 HH22 ARG A 23 -7.219 -20.301 -31.077 1.00 32.33 H new ATOM 360 N LYS A 24 -4.736 -20.162 -24.447 1.00 71.13 N ATOM 361 CA LYS A 24 -4.487 -21.300 -23.570 1.00 41.04 C ATOM 362 C LYS A 24 -2.992 -21.582 -23.455 1.00 22.22 C ATOM 363 O LYS A 24 -2.380 -22.126 -24.374 1.00 21.24 O ATOM 364 CB LYS A 24 -5.212 -22.542 -24.093 1.00 44.53 C ATOM 365 CG LYS A 24 -6.633 -22.681 -23.575 1.00 62.53 C ATOM 366 CD LYS A 24 -7.526 -23.390 -24.579 1.00 63.55 C ATOM 367 CE LYS A 24 -7.617 -24.880 -24.290 1.00 34.31 C ATOM 368 NZ LYS A 24 -8.500 -25.581 -25.262 1.00 63.14 N1+ ATOM 0 H LYS A 24 -5.469 -20.316 -25.140 1.00 71.13 H new ATOM 0 HA LYS A 24 -4.870 -21.053 -22.580 1.00 41.04 H new ATOM 0 HB2 LYS A 24 -5.233 -22.508 -25.182 1.00 44.53 H new ATOM 0 HB3 LYS A 24 -4.644 -23.429 -23.813 1.00 44.53 H new ATOM 0 HG2 LYS A 24 -6.627 -23.236 -22.637 1.00 62.53 H new ATOM 0 HG3 LYS A 24 -7.040 -21.693 -23.358 1.00 62.53 H new ATOM 0 HD2 LYS A 24 -8.524 -22.952 -24.553 1.00 63.55 H new ATOM 0 HD3 LYS A 24 -7.137 -23.237 -25.585 1.00 63.55 H new ATOM 0 HE2 LYS A 24 -6.619 -25.318 -24.324 1.00 34.31 H new ATOM 0 HE3 LYS A 24 -7.997 -25.031 -23.280 1.00 34.31 H new ATOM 0 HZ1 LYS A 24 -8.535 -26.594 -25.031 1.00 63.14 H new ATOM 0 HZ2 LYS A 24 -9.459 -25.181 -25.212 1.00 63.14 H new ATOM 0 HZ3 LYS A 24 -8.124 -25.459 -26.224 1.00 63.14 H new ATOM 382 N VAL A 25 -2.410 -21.209 -22.319 1.00 32.25 N ATOM 383 CA VAL A 25 -0.987 -21.423 -22.084 1.00 72.11 C ATOM 384 C VAL A 25 -0.762 -22.427 -20.958 1.00 51.12 C ATOM 385 O VAL A 25 -1.707 -22.852 -20.293 1.00 43.45 O ATOM 386 CB VAL A 25 -0.272 -20.106 -21.732 1.00 34.14 C ATOM 387 CG1 VAL A 25 -0.163 -19.213 -22.959 1.00 11.11 C ATOM 388 CG2 VAL A 25 -0.999 -19.389 -20.604 1.00 3.14 C ATOM 0 H VAL A 25 -2.902 -20.758 -21.548 1.00 32.25 H new ATOM 0 HA VAL A 25 -0.569 -21.818 -23.010 1.00 72.11 H new ATOM 0 HB VAL A 25 0.737 -20.341 -21.392 1.00 34.14 H new ATOM 0 HG11 VAL A 25 0.345 -18.287 -22.691 1.00 11.11 H new ATOM 0 HG12 VAL A 25 0.405 -19.727 -23.734 1.00 11.11 H new ATOM 0 HG13 VAL A 25 -1.161 -18.984 -23.332 1.00 11.11 H new ATOM 0 HG21 VAL A 25 -0.479 -18.460 -20.369 1.00 3.14 H new ATOM 0 HG22 VAL A 25 -2.020 -19.165 -20.913 1.00 3.14 H new ATOM 0 HG23 VAL A 25 -1.019 -20.027 -19.721 1.00 3.14 H new ATOM 398 N LEU A 26 0.495 -22.802 -20.750 1.00 52.13 N ATOM 399 CA LEU A 26 0.846 -23.756 -19.704 1.00 53.31 C ATOM 400 C LEU A 26 2.224 -23.450 -19.127 1.00 41.52 C ATOM 401 O LEU A 26 3.138 -23.056 -19.851 1.00 23.31 O ATOM 402 CB LEU A 26 0.817 -25.182 -20.257 1.00 34.22 C ATOM 403 CG LEU A 26 1.992 -25.579 -21.151 1.00 5.53 C ATOM 404 CD1 LEU A 26 3.015 -26.382 -20.363 1.00 50.53 C ATOM 405 CD2 LEU A 26 1.503 -26.371 -22.355 1.00 1.25 C ATOM 0 H LEU A 26 1.289 -22.460 -21.292 1.00 52.13 H new ATOM 0 HA LEU A 26 0.111 -23.668 -18.904 1.00 53.31 H new ATOM 0 HB2 LEU A 26 0.775 -25.875 -19.417 1.00 34.22 H new ATOM 0 HB3 LEU A 26 -0.105 -25.312 -20.824 1.00 34.22 H new ATOM 0 HG LEU A 26 2.473 -24.669 -21.511 1.00 5.53 H new ATOM 0 HD11 LEU A 26 3.844 -26.656 -21.016 1.00 50.53 H new ATOM 0 HD12 LEU A 26 3.389 -25.781 -19.534 1.00 50.53 H new ATOM 0 HD13 LEU A 26 2.546 -27.286 -19.973 1.00 50.53 H new ATOM 0 HD21 LEU A 26 2.353 -26.645 -22.980 1.00 1.25 H new ATOM 0 HD22 LEU A 26 0.997 -27.274 -22.015 1.00 1.25 H new ATOM 0 HD23 LEU A 26 0.809 -25.762 -22.934 1.00 1.25 H new ATOM 417 N GLY A 27 2.367 -23.635 -17.818 1.00 11.13 N ATOM 418 CA GLY A 27 3.638 -23.376 -17.167 1.00 74.50 C ATOM 419 C GLY A 27 3.470 -22.741 -15.801 1.00 72.22 C ATOM 420 O GLY A 27 2.353 -22.624 -15.295 1.00 33.15 O ATOM 0 H GLY A 27 1.626 -23.959 -17.197 1.00 11.13 H new ATOM 0 HA2 GLY A 27 4.188 -24.312 -17.064 1.00 74.50 H new ATOM 0 HA3 GLY A 27 4.239 -22.721 -17.798 1.00 74.50 H new ATOM 424 N VAL A 28 4.582 -22.331 -15.199 1.00 0.31 N ATOM 425 CA VAL A 28 4.554 -21.706 -13.882 1.00 11.43 C ATOM 426 C VAL A 28 5.679 -20.689 -13.733 1.00 12.21 C ATOM 427 O VAL A 28 6.738 -20.824 -14.346 1.00 72.43 O ATOM 428 CB VAL A 28 4.671 -22.755 -12.760 1.00 51.42 C ATOM 429 CG1 VAL A 28 4.183 -22.180 -11.439 1.00 54.12 C ATOM 430 CG2 VAL A 28 3.896 -24.012 -13.123 1.00 65.50 C ATOM 0 H VAL A 28 5.514 -22.421 -15.603 1.00 0.31 H new ATOM 0 HA VAL A 28 3.594 -21.197 -13.793 1.00 11.43 H new ATOM 0 HB VAL A 28 5.721 -23.024 -12.646 1.00 51.42 H new ATOM 0 HG11 VAL A 28 4.273 -22.935 -10.658 1.00 54.12 H new ATOM 0 HG12 VAL A 28 4.786 -21.311 -11.175 1.00 54.12 H new ATOM 0 HG13 VAL A 28 3.139 -21.881 -11.536 1.00 54.12 H new ATOM 0 HG21 VAL A 28 3.990 -24.742 -12.319 1.00 65.50 H new ATOM 0 HG22 VAL A 28 2.845 -23.763 -13.266 1.00 65.50 H new ATOM 0 HG23 VAL A 28 4.297 -24.434 -14.045 1.00 65.50 H new ATOM 440 N PHE A 29 5.444 -19.671 -12.912 1.00 21.24 N ATOM 441 CA PHE A 29 6.438 -18.629 -12.681 1.00 24.31 C ATOM 442 C PHE A 29 6.754 -18.499 -11.194 1.00 74.32 C ATOM 443 O PHE A 29 5.860 -18.572 -10.351 1.00 14.41 O ATOM 444 CB PHE A 29 5.942 -17.290 -13.228 1.00 62.43 C ATOM 445 CG PHE A 29 5.580 -17.334 -14.685 1.00 74.23 C ATOM 446 CD1 PHE A 29 6.460 -17.865 -15.615 1.00 73.12 C ATOM 447 CD2 PHE A 29 4.361 -16.846 -15.126 1.00 0.33 C ATOM 448 CE1 PHE A 29 6.131 -17.908 -16.957 1.00 43.11 C ATOM 449 CE2 PHE A 29 4.026 -16.886 -16.466 1.00 64.12 C ATOM 450 CZ PHE A 29 4.912 -17.417 -17.383 1.00 52.54 C ATOM 0 H PHE A 29 4.574 -19.545 -12.395 1.00 21.24 H new ATOM 0 HA PHE A 29 7.351 -18.911 -13.205 1.00 24.31 H new ATOM 0 HB2 PHE A 29 5.071 -16.973 -12.655 1.00 62.43 H new ATOM 0 HB3 PHE A 29 6.715 -16.536 -13.077 1.00 62.43 H new ATOM 0 HD1 PHE A 29 7.414 -18.250 -15.287 1.00 73.12 H new ATOM 0 HD2 PHE A 29 3.664 -16.429 -14.414 1.00 0.33 H new ATOM 0 HE1 PHE A 29 6.826 -18.325 -17.671 1.00 43.11 H new ATOM 0 HE2 PHE A 29 3.072 -16.502 -16.796 1.00 64.12 H new ATOM 0 HZ PHE A 29 4.652 -17.448 -18.431 1.00 52.54 H new ATOM 460 N GLN A 30 8.031 -18.306 -10.880 1.00 73.10 N ATOM 461 CA GLN A 30 8.464 -18.166 -9.495 1.00 2.03 C ATOM 462 C GLN A 30 8.979 -16.756 -9.225 1.00 32.14 C ATOM 463 O GLN A 30 10.154 -16.460 -9.447 1.00 10.04 O ATOM 464 CB GLN A 30 9.554 -19.190 -9.174 1.00 11.10 C ATOM 465 CG GLN A 30 9.830 -19.339 -7.687 1.00 21.52 C ATOM 466 CD GLN A 30 8.561 -19.483 -6.869 1.00 3.11 C ATOM 467 OE1 GLN A 30 7.644 -20.211 -7.249 1.00 64.02 O ATOM 468 NE2 GLN A 30 8.502 -18.788 -5.740 1.00 1.20 N ATOM 0 H GLN A 30 8.783 -18.243 -11.566 1.00 73.10 H new ATOM 0 HA GLN A 30 7.603 -18.348 -8.851 1.00 2.03 H new ATOM 0 HB2 GLN A 30 9.262 -20.159 -9.580 1.00 11.10 H new ATOM 0 HB3 GLN A 30 10.475 -18.898 -9.679 1.00 11.10 H new ATOM 0 HG2 GLN A 30 10.463 -20.211 -7.525 1.00 21.52 H new ATOM 0 HG3 GLN A 30 10.387 -18.471 -7.336 1.00 21.52 H new ATOM 0 HE21 GLN A 30 9.286 -18.197 -5.463 1.00 1.20 H new ATOM 0 HE22 GLN A 30 7.673 -18.845 -5.149 1.00 1.20 H new ATOM 477 N LEU A 31 8.094 -15.890 -8.747 1.00 65.02 N ATOM 478 CA LEU A 31 8.459 -14.509 -8.447 1.00 54.50 C ATOM 479 C LEU A 31 9.083 -14.400 -7.059 1.00 53.24 C ATOM 480 O LEU A 31 8.530 -14.897 -6.078 1.00 13.04 O ATOM 481 CB LEU A 31 7.228 -13.605 -8.537 1.00 52.25 C ATOM 482 CG LEU A 31 7.251 -12.351 -7.662 1.00 62.25 C ATOM 483 CD1 LEU A 31 8.459 -11.489 -7.996 1.00 62.41 C ATOM 484 CD2 LEU A 31 5.964 -11.558 -7.833 1.00 64.43 C ATOM 0 H LEU A 31 7.118 -16.119 -8.558 1.00 65.02 H new ATOM 0 HA LEU A 31 9.195 -14.185 -9.183 1.00 54.50 H new ATOM 0 HB2 LEU A 31 7.103 -13.297 -9.575 1.00 52.25 H new ATOM 0 HB3 LEU A 31 6.350 -14.193 -8.271 1.00 52.25 H new ATOM 0 HG LEU A 31 7.328 -12.660 -6.620 1.00 62.25 H new ATOM 0 HD11 LEU A 31 8.459 -10.601 -7.364 1.00 62.41 H new ATOM 0 HD12 LEU A 31 9.372 -12.059 -7.821 1.00 62.41 H new ATOM 0 HD13 LEU A 31 8.413 -11.189 -9.043 1.00 62.41 H new ATOM 0 HD21 LEU A 31 5.998 -10.669 -7.203 1.00 64.43 H new ATOM 0 HD22 LEU A 31 5.856 -11.260 -8.876 1.00 64.43 H new ATOM 0 HD23 LEU A 31 5.114 -12.176 -7.543 1.00 64.43 H new ATOM 496 N ASN A 32 10.237 -13.745 -6.985 1.00 55.44 N ATOM 497 CA ASN A 32 10.936 -13.570 -5.717 1.00 63.23 C ATOM 498 C ASN A 32 11.235 -12.096 -5.461 1.00 53.21 C ATOM 499 O ASN A 32 12.082 -11.499 -6.128 1.00 30.12 O ATOM 500 CB ASN A 32 12.237 -14.375 -5.712 1.00 15.22 C ATOM 501 CG ASN A 32 12.012 -15.839 -6.034 1.00 74.20 C ATOM 502 OD1 ASN A 32 11.989 -16.687 -5.141 1.00 54.54 O ATOM 503 ND2 ASN A 32 11.844 -16.144 -7.316 1.00 41.33 N ATOM 0 H ASN A 32 10.708 -13.327 -7.788 1.00 55.44 H new ATOM 0 HA ASN A 32 10.289 -13.935 -4.920 1.00 63.23 H new ATOM 0 HB2 ASN A 32 12.928 -13.948 -6.439 1.00 15.22 H new ATOM 0 HB3 ASN A 32 12.710 -14.290 -4.734 1.00 15.22 H new ATOM 0 HD21 ASN A 32 11.688 -17.113 -7.594 1.00 41.33 H new ATOM 0 HD22 ASN A 32 11.871 -15.409 -8.023 1.00 41.33 H new ATOM 510 N ILE A 33 10.537 -11.515 -4.491 1.00 31.21 N ATOM 511 CA ILE A 33 10.730 -10.112 -4.146 1.00 31.14 C ATOM 512 C ILE A 33 11.664 -9.964 -2.950 1.00 52.44 C ATOM 513 O ILE A 33 11.506 -10.644 -1.936 1.00 11.10 O ATOM 514 CB ILE A 33 9.391 -9.422 -3.826 1.00 13.11 C ATOM 515 CG1 ILE A 33 8.407 -9.607 -4.983 1.00 12.13 C ATOM 516 CG2 ILE A 33 9.611 -7.944 -3.541 1.00 60.34 C ATOM 517 CD1 ILE A 33 7.494 -10.801 -4.815 1.00 72.22 C ATOM 0 H ILE A 33 9.833 -11.994 -3.930 1.00 31.21 H new ATOM 0 HA ILE A 33 11.178 -9.632 -5.016 1.00 31.14 H new ATOM 0 HB ILE A 33 8.965 -9.884 -2.935 1.00 13.11 H new ATOM 0 HG12 ILE A 33 7.800 -8.707 -5.081 1.00 12.13 H new ATOM 0 HG13 ILE A 33 8.967 -9.716 -5.912 1.00 12.13 H new ATOM 0 HG21 ILE A 33 8.655 -7.471 -3.317 1.00 60.34 H new ATOM 0 HG22 ILE A 33 10.280 -7.834 -2.687 1.00 60.34 H new ATOM 0 HG23 ILE A 33 10.056 -7.467 -4.414 1.00 60.34 H new ATOM 0 HD11 ILE A 33 6.824 -10.870 -5.672 1.00 72.22 H new ATOM 0 HD12 ILE A 33 8.092 -11.710 -4.748 1.00 72.22 H new ATOM 0 HD13 ILE A 33 6.907 -10.685 -3.904 1.00 72.22 H new ATOM 529 N LYS A 34 12.638 -9.068 -3.075 1.00 22.24 N ATOM 530 CA LYS A 34 13.597 -8.826 -2.004 1.00 23.21 C ATOM 531 C LYS A 34 12.943 -8.081 -0.845 1.00 44.34 C ATOM 532 O LYS A 34 11.987 -7.329 -1.037 1.00 15.11 O ATOM 533 CB LYS A 34 14.790 -8.025 -2.531 1.00 53.34 C ATOM 534 CG LYS A 34 15.862 -8.884 -3.177 1.00 41.43 C ATOM 535 CD LYS A 34 16.162 -8.428 -4.595 1.00 33.21 C ATOM 536 CE LYS A 34 17.577 -8.801 -5.013 1.00 40.23 C ATOM 537 NZ LYS A 34 17.720 -8.861 -6.494 1.00 30.42 N1+ ATOM 0 H LYS A 34 12.784 -8.498 -3.908 1.00 22.24 H new ATOM 0 HA LYS A 34 13.948 -9.792 -1.640 1.00 23.21 H new ATOM 0 HB2 LYS A 34 14.434 -7.295 -3.258 1.00 53.34 H new ATOM 0 HB3 LYS A 34 15.233 -7.465 -1.708 1.00 53.34 H new ATOM 0 HG2 LYS A 34 16.773 -8.841 -2.580 1.00 41.43 H new ATOM 0 HG3 LYS A 34 15.537 -9.924 -3.189 1.00 41.43 H new ATOM 0 HD2 LYS A 34 15.447 -8.880 -5.283 1.00 33.21 H new ATOM 0 HD3 LYS A 34 16.033 -7.348 -4.666 1.00 33.21 H new ATOM 0 HE2 LYS A 34 18.279 -8.071 -4.610 1.00 40.23 H new ATOM 0 HE3 LYS A 34 17.840 -9.768 -4.583 1.00 40.23 H new ATOM 0 HZ1 LYS A 34 18.698 -9.118 -6.738 1.00 30.42 H new ATOM 0 HZ2 LYS A 34 17.068 -9.575 -6.877 1.00 30.42 H new ATOM 0 HZ3 LYS A 34 17.494 -7.932 -6.903 1.00 30.42 H new ATOM 551 N THR A 35 13.464 -8.294 0.360 1.00 41.14 N ATOM 552 CA THR A 35 12.931 -7.642 1.549 1.00 62.04 C ATOM 553 C THR A 35 14.040 -7.320 2.543 1.00 21.21 C ATOM 554 O THR A 35 15.189 -7.719 2.357 1.00 42.41 O ATOM 555 CB THR A 35 11.873 -8.521 2.244 1.00 73.14 C ATOM 556 OG1 THR A 35 12.515 -9.506 3.061 1.00 74.33 O ATOM 557 CG2 THR A 35 10.981 -9.206 1.220 1.00 21.11 C ATOM 0 H THR A 35 14.255 -8.913 0.537 1.00 41.14 H new ATOM 0 HA THR A 35 12.463 -6.715 1.219 1.00 62.04 H new ATOM 0 HB THR A 35 11.253 -7.879 2.870 1.00 73.14 H new ATOM 0 HG1 THR A 35 11.836 -10.060 3.500 1.00 74.33 H new ATOM 0 HG21 THR A 35 10.242 -9.821 1.734 1.00 21.11 H new ATOM 0 HG22 THR A 35 10.471 -8.453 0.620 1.00 21.11 H new ATOM 0 HG23 THR A 35 11.589 -9.836 0.571 1.00 21.11 H new ATOM 565 N ALA A 36 13.689 -6.594 3.600 1.00 32.44 N ATOM 566 CA ALA A 36 14.655 -6.220 4.626 1.00 70.24 C ATOM 567 C ALA A 36 14.934 -7.386 5.568 1.00 54.21 C ATOM 568 O ALA A 36 15.896 -7.360 6.335 1.00 10.51 O ATOM 569 CB ALA A 36 14.155 -5.015 5.408 1.00 11.33 C ATOM 0 H ALA A 36 12.742 -6.253 3.768 1.00 32.44 H new ATOM 0 HA ALA A 36 15.589 -5.955 4.131 1.00 70.24 H new ATOM 0 HB1 ALA A 36 14.886 -4.747 6.171 1.00 11.33 H new ATOM 0 HB2 ALA A 36 14.014 -4.174 4.729 1.00 11.33 H new ATOM 0 HB3 ALA A 36 13.206 -5.259 5.885 1.00 11.33 H new ATOM 575 N SER A 37 14.087 -8.408 5.505 1.00 12.43 N ATOM 576 CA SER A 37 14.240 -9.582 6.356 1.00 24.12 C ATOM 577 C SER A 37 14.524 -10.826 5.520 1.00 71.45 C ATOM 578 O SER A 37 14.564 -11.941 6.039 1.00 35.33 O ATOM 579 CB SER A 37 12.980 -9.796 7.198 1.00 74.34 C ATOM 580 OG SER A 37 13.135 -9.251 8.496 1.00 31.32 O ATOM 0 H SER A 37 13.287 -8.447 4.873 1.00 12.43 H new ATOM 0 HA SER A 37 15.087 -9.411 7.020 1.00 24.12 H new ATOM 0 HB2 SER A 37 12.126 -9.331 6.705 1.00 74.34 H new ATOM 0 HB3 SER A 37 12.765 -10.862 7.271 1.00 74.34 H new ATOM 0 HG SER A 37 12.316 -9.399 9.013 1.00 31.32 H new ATOM 586 N GLY A 38 14.722 -10.626 4.221 1.00 20.32 N ATOM 587 CA GLY A 38 15.000 -11.739 3.332 1.00 11.02 C ATOM 588 C GLY A 38 14.351 -11.572 1.973 1.00 44.13 C ATOM 589 O GLY A 38 14.480 -10.524 1.340 1.00 2.10 O ATOM 0 H GLY A 38 14.695 -9.713 3.768 1.00 20.32 H new ATOM 0 HA2 GLY A 38 16.078 -11.839 3.206 1.00 11.02 H new ATOM 0 HA3 GLY A 38 14.645 -12.663 3.789 1.00 11.02 H new ATOM 593 N VAL A 39 13.654 -12.609 1.520 1.00 25.01 N ATOM 594 CA VAL A 39 12.983 -12.573 0.226 1.00 53.13 C ATOM 595 C VAL A 39 11.643 -13.299 0.281 1.00 4.40 C ATOM 596 O VAL A 39 11.504 -14.314 0.963 1.00 12.03 O ATOM 597 CB VAL A 39 13.853 -13.207 -0.875 1.00 31.52 C ATOM 598 CG1 VAL A 39 13.841 -14.723 -0.759 1.00 45.01 C ATOM 599 CG2 VAL A 39 13.376 -12.765 -2.251 1.00 44.20 C ATOM 0 H VAL A 39 13.539 -13.485 2.030 1.00 25.01 H new ATOM 0 HA VAL A 39 12.814 -11.523 -0.014 1.00 53.13 H new ATOM 0 HB VAL A 39 14.880 -12.865 -0.744 1.00 31.52 H new ATOM 0 HG11 VAL A 39 14.461 -15.153 -1.545 1.00 45.01 H new ATOM 0 HG12 VAL A 39 14.234 -15.017 0.214 1.00 45.01 H new ATOM 0 HG13 VAL A 39 12.819 -15.088 -0.863 1.00 45.01 H new ATOM 0 HG21 VAL A 39 14.002 -13.222 -3.017 1.00 44.20 H new ATOM 0 HG22 VAL A 39 12.341 -13.076 -2.395 1.00 44.20 H new ATOM 0 HG23 VAL A 39 13.443 -11.680 -2.328 1.00 44.20 H new ATOM 609 N GLU A 40 10.660 -12.771 -0.442 1.00 32.42 N ATOM 610 CA GLU A 40 9.331 -13.370 -0.475 1.00 60.10 C ATOM 611 C GLU A 40 9.133 -14.185 -1.750 1.00 42.53 C ATOM 612 O GLU A 40 9.320 -13.679 -2.856 1.00 20.13 O ATOM 613 CB GLU A 40 8.256 -12.285 -0.377 1.00 24.13 C ATOM 614 CG GLU A 40 8.427 -11.365 0.820 1.00 11.04 C ATOM 615 CD GLU A 40 7.191 -11.314 1.697 1.00 24.31 C ATOM 616 OE1 GLU A 40 6.638 -10.209 1.877 1.00 60.43 O ATOM 617 OE2 GLU A 40 6.777 -12.378 2.203 1.00 55.13 O1- ATOM 0 H GLU A 40 10.759 -11.931 -1.012 1.00 32.42 H new ATOM 0 HA GLU A 40 9.240 -14.039 0.381 1.00 60.10 H new ATOM 0 HB2 GLU A 40 8.271 -11.688 -1.289 1.00 24.13 H new ATOM 0 HB3 GLU A 40 7.276 -12.760 -0.323 1.00 24.13 H new ATOM 0 HG2 GLU A 40 9.276 -11.702 1.414 1.00 11.04 H new ATOM 0 HG3 GLU A 40 8.662 -10.360 0.470 1.00 11.04 H new ATOM 624 N GLN A 41 8.753 -15.448 -1.585 1.00 42.11 N ATOM 625 CA GLN A 41 8.531 -16.333 -2.722 1.00 75.52 C ATOM 626 C GLN A 41 7.078 -16.275 -3.180 1.00 53.35 C ATOM 627 O GLN A 41 6.177 -16.000 -2.387 1.00 61.42 O ATOM 628 CB GLN A 41 8.907 -17.770 -2.358 1.00 53.24 C ATOM 629 CG GLN A 41 10.369 -17.939 -1.977 1.00 24.20 C ATOM 630 CD GLN A 41 11.218 -18.441 -3.129 1.00 1.24 C ATOM 631 OE1 GLN A 41 10.698 -18.952 -4.121 1.00 52.30 O ATOM 632 NE2 GLN A 41 12.532 -18.297 -3.002 1.00 4.21 N ATOM 0 H GLN A 41 8.593 -15.881 -0.675 1.00 42.11 H new ATOM 0 HA GLN A 41 9.165 -15.996 -3.542 1.00 75.52 H new ATOM 0 HB2 GLN A 41 8.283 -18.101 -1.527 1.00 53.24 H new ATOM 0 HB3 GLN A 41 8.683 -18.421 -3.203 1.00 53.24 H new ATOM 0 HG2 GLN A 41 10.763 -16.984 -1.630 1.00 24.20 H new ATOM 0 HG3 GLN A 41 10.445 -18.637 -1.143 1.00 24.20 H new ATOM 0 HE21 GLN A 41 12.919 -17.867 -2.162 1.00 4.21 H new ATOM 0 HE22 GLN A 41 13.154 -18.616 -3.745 1.00 4.21 H new ATOM 641 N TRP A 42 6.857 -16.537 -4.464 1.00 43.02 N ATOM 642 CA TRP A 42 5.512 -16.514 -5.027 1.00 5.44 C ATOM 643 C TRP A 42 5.411 -17.443 -6.232 1.00 60.44 C ATOM 644 O TRP A 42 6.376 -17.613 -6.978 1.00 11.52 O ATOM 645 CB TRP A 42 5.130 -15.089 -5.433 1.00 34.30 C ATOM 646 CG TRP A 42 5.041 -14.145 -4.272 1.00 73.05 C ATOM 647 CD1 TRP A 42 6.049 -13.382 -3.757 1.00 55.51 C ATOM 648 CD2 TRP A 42 3.880 -13.867 -3.481 1.00 63.13 C ATOM 649 NE1 TRP A 42 5.585 -12.645 -2.694 1.00 41.21 N ATOM 650 CE2 TRP A 42 4.258 -12.925 -2.505 1.00 71.54 C ATOM 651 CE3 TRP A 42 2.559 -14.321 -3.504 1.00 23.42 C ATOM 652 CZ2 TRP A 42 3.361 -12.431 -1.561 1.00 54.54 C ATOM 653 CZ3 TRP A 42 1.670 -13.830 -2.566 1.00 35.41 C ATOM 654 CH2 TRP A 42 2.073 -12.892 -1.607 1.00 22.13 C ATOM 0 H TRP A 42 7.591 -16.767 -5.134 1.00 43.02 H new ATOM 0 HA TRP A 42 4.819 -16.864 -4.262 1.00 5.44 H new ATOM 0 HB2 TRP A 42 5.865 -14.712 -6.144 1.00 34.30 H new ATOM 0 HB3 TRP A 42 4.170 -15.111 -5.949 1.00 34.30 H new ATOM 0 HD1 TRP A 42 7.062 -13.361 -4.130 1.00 55.51 H new ATOM 0 HE1 TRP A 42 6.139 -11.995 -2.136 1.00 41.21 H new ATOM 0 HE3 TRP A 42 2.238 -15.042 -4.241 1.00 23.42 H new ATOM 0 HZ2 TRP A 42 3.671 -11.710 -0.819 1.00 54.54 H new ATOM 0 HZ3 TRP A 42 0.647 -14.176 -2.573 1.00 35.41 H new ATOM 0 HH2 TRP A 42 1.353 -12.525 -0.890 1.00 22.13 H new ATOM 665 N ILE A 43 4.239 -18.040 -6.417 1.00 22.22 N ATOM 666 CA ILE A 43 4.013 -18.951 -7.533 1.00 14.53 C ATOM 667 C ILE A 43 2.888 -18.450 -8.432 1.00 73.12 C ATOM 668 O ILE A 43 1.742 -18.325 -8.000 1.00 34.33 O ATOM 669 CB ILE A 43 3.670 -20.369 -7.042 1.00 20.41 C ATOM 670 CG1 ILE A 43 4.738 -20.868 -6.066 1.00 31.22 C ATOM 671 CG2 ILE A 43 3.537 -21.321 -8.221 1.00 31.11 C ATOM 672 CD1 ILE A 43 4.247 -20.984 -4.640 1.00 2.14 C ATOM 0 H ILE A 43 3.431 -17.910 -5.809 1.00 22.22 H new ATOM 0 HA ILE A 43 4.941 -18.988 -8.103 1.00 14.53 H new ATOM 0 HB ILE A 43 2.714 -20.334 -6.519 1.00 20.41 H new ATOM 0 HG12 ILE A 43 5.096 -21.842 -6.399 1.00 31.22 H new ATOM 0 HG13 ILE A 43 5.590 -20.189 -6.094 1.00 31.22 H new ATOM 0 HG21 ILE A 43 3.294 -22.319 -7.857 1.00 31.11 H new ATOM 0 HG22 ILE A 43 2.743 -20.973 -8.882 1.00 31.11 H new ATOM 0 HG23 ILE A 43 4.478 -21.354 -8.770 1.00 31.11 H new ATOM 0 HD11 ILE A 43 5.057 -21.343 -4.005 1.00 2.14 H new ATOM 0 HD12 ILE A 43 3.916 -20.007 -4.289 1.00 2.14 H new ATOM 0 HD13 ILE A 43 3.414 -21.686 -4.598 1.00 2.14 H new ATOM 684 N VAL A 44 3.223 -18.166 -9.687 1.00 32.54 N ATOM 685 CA VAL A 44 2.241 -17.681 -10.649 1.00 1.41 C ATOM 686 C VAL A 44 2.046 -18.678 -11.786 1.00 62.00 C ATOM 687 O VAL A 44 2.892 -18.797 -12.673 1.00 64.24 O ATOM 688 CB VAL A 44 2.657 -16.321 -11.240 1.00 75.11 C ATOM 689 CG1 VAL A 44 1.432 -15.524 -11.662 1.00 0.24 C ATOM 690 CG2 VAL A 44 3.493 -15.539 -10.238 1.00 14.24 C ATOM 0 H VAL A 44 4.167 -18.264 -10.061 1.00 32.54 H new ATOM 0 HA VAL A 44 1.302 -17.562 -10.109 1.00 1.41 H new ATOM 0 HB VAL A 44 3.266 -16.500 -12.126 1.00 75.11 H new ATOM 0 HG11 VAL A 44 1.746 -14.566 -12.077 1.00 0.24 H new ATOM 0 HG12 VAL A 44 0.877 -16.082 -12.416 1.00 0.24 H new ATOM 0 HG13 VAL A 44 0.794 -15.352 -10.795 1.00 0.24 H new ATOM 0 HG21 VAL A 44 3.779 -14.581 -10.672 1.00 14.24 H new ATOM 0 HG22 VAL A 44 2.910 -15.368 -9.333 1.00 14.24 H new ATOM 0 HG23 VAL A 44 4.390 -16.107 -9.991 1.00 14.24 H new ATOM 700 N ASP A 45 0.927 -19.393 -11.753 1.00 45.32 N ATOM 701 CA ASP A 45 0.620 -20.381 -12.781 1.00 21.31 C ATOM 702 C ASP A 45 -0.068 -19.726 -13.975 1.00 43.53 C ATOM 703 O ASP A 45 -0.766 -18.721 -13.828 1.00 12.42 O ATOM 704 CB ASP A 45 -0.268 -21.486 -12.209 1.00 64.12 C ATOM 705 CG ASP A 45 -1.286 -21.990 -13.213 1.00 63.33 C ATOM 706 OD1 ASP A 45 -2.389 -21.408 -13.282 1.00 21.05 O ATOM 707 OD2 ASP A 45 -0.979 -22.965 -13.929 1.00 51.12 O1- ATOM 0 H ASP A 45 0.217 -19.307 -11.026 1.00 45.32 H new ATOM 0 HA ASP A 45 1.559 -20.820 -13.120 1.00 21.31 H new ATOM 0 HB2 ASP A 45 0.357 -22.317 -11.882 1.00 64.12 H new ATOM 0 HB3 ASP A 45 -0.787 -21.111 -11.327 1.00 64.12 H new ATOM 712 N LEU A 46 0.134 -20.299 -15.156 1.00 52.01 N ATOM 713 CA LEU A 46 -0.466 -19.771 -16.376 1.00 33.22 C ATOM 714 C LEU A 46 -1.497 -20.743 -16.941 1.00 13.22 C ATOM 715 O LEU A 46 -2.290 -20.387 -17.813 1.00 72.41 O ATOM 716 CB LEU A 46 0.616 -19.493 -17.421 1.00 61.21 C ATOM 717 CG LEU A 46 1.884 -20.341 -17.317 1.00 13.54 C ATOM 718 CD1 LEU A 46 2.578 -20.431 -18.667 1.00 24.32 C ATOM 719 CD2 LEU A 46 2.825 -19.766 -16.268 1.00 32.43 C ATOM 0 H LEU A 46 0.709 -21.130 -15.295 1.00 52.01 H new ATOM 0 HA LEU A 46 -0.972 -18.838 -16.128 1.00 33.22 H new ATOM 0 HB2 LEU A 46 0.184 -19.642 -18.411 1.00 61.21 H new ATOM 0 HB3 LEU A 46 0.899 -18.443 -17.351 1.00 61.21 H new ATOM 0 HG LEU A 46 1.601 -21.348 -17.010 1.00 13.54 H new ATOM 0 HD11 LEU A 46 3.478 -21.038 -18.574 1.00 24.32 H new ATOM 0 HD12 LEU A 46 1.905 -20.889 -19.392 1.00 24.32 H new ATOM 0 HD13 LEU A 46 2.849 -19.430 -19.004 1.00 24.32 H new ATOM 0 HD21 LEU A 46 3.722 -20.382 -16.207 1.00 32.43 H new ATOM 0 HD22 LEU A 46 3.101 -18.749 -16.546 1.00 32.43 H new ATOM 0 HD23 LEU A 46 2.326 -19.755 -15.299 1.00 32.43 H new ATOM 731 N LYS A 47 -1.482 -21.972 -16.436 1.00 32.14 N ATOM 732 CA LYS A 47 -2.417 -22.996 -16.887 1.00 73.41 C ATOM 733 C LYS A 47 -3.851 -22.621 -16.525 1.00 25.15 C ATOM 734 O LYS A 47 -4.744 -22.661 -17.370 1.00 30.54 O ATOM 735 CB LYS A 47 -2.061 -24.349 -16.268 1.00 12.14 C ATOM 736 CG LYS A 47 -0.601 -24.732 -16.441 1.00 71.22 C ATOM 737 CD LYS A 47 -0.245 -25.958 -15.616 1.00 44.04 C ATOM 738 CE LYS A 47 1.261 -26.157 -15.537 1.00 52.41 C ATOM 739 NZ LYS A 47 1.619 -27.377 -14.761 1.00 64.34 N1+ ATOM 0 H LYS A 47 -0.832 -22.283 -15.714 1.00 32.14 H new ATOM 0 HA LYS A 47 -2.342 -23.069 -17.972 1.00 73.41 H new ATOM 0 HB2 LYS A 47 -2.298 -24.326 -15.204 1.00 12.14 H new ATOM 0 HB3 LYS A 47 -2.686 -25.121 -16.718 1.00 12.14 H new ATOM 0 HG2 LYS A 47 -0.398 -24.929 -17.494 1.00 71.22 H new ATOM 0 HG3 LYS A 47 0.033 -23.896 -16.145 1.00 71.22 H new ATOM 0 HD2 LYS A 47 -0.653 -25.852 -14.611 1.00 44.04 H new ATOM 0 HD3 LYS A 47 -0.707 -26.841 -16.056 1.00 44.04 H new ATOM 0 HE2 LYS A 47 1.671 -26.234 -16.544 1.00 52.41 H new ATOM 0 HE3 LYS A 47 1.719 -25.284 -15.073 1.00 52.41 H new ATOM 0 HZ1 LYS A 47 2.654 -27.478 -14.730 1.00 64.34 H new ATOM 0 HZ2 LYS A 47 1.250 -27.293 -13.792 1.00 64.34 H new ATOM 0 HZ3 LYS A 47 1.203 -28.214 -15.218 1.00 64.34 H new ATOM 753 N GLN A 48 -4.062 -22.255 -15.264 1.00 45.21 N ATOM 754 CA GLN A 48 -5.387 -21.872 -14.792 1.00 10.22 C ATOM 755 C GLN A 48 -5.433 -20.388 -14.445 1.00 4.23 C ATOM 756 O GLN A 48 -6.471 -19.868 -14.034 1.00 2.01 O ATOM 757 CB GLN A 48 -5.777 -22.707 -13.571 1.00 63.24 C ATOM 758 CG GLN A 48 -5.809 -24.202 -13.840 1.00 72.31 C ATOM 759 CD GLN A 48 -6.322 -24.998 -12.656 1.00 33.43 C ATOM 760 OE1 GLN A 48 -7.404 -25.583 -12.708 1.00 25.31 O ATOM 761 NE2 GLN A 48 -5.545 -25.024 -11.579 1.00 43.10 N ATOM 0 H GLN A 48 -3.333 -22.216 -14.552 1.00 45.21 H new ATOM 0 HA GLN A 48 -6.100 -22.060 -15.595 1.00 10.22 H new ATOM 0 HB2 GLN A 48 -5.072 -22.507 -12.764 1.00 63.24 H new ATOM 0 HB3 GLN A 48 -6.759 -22.388 -13.222 1.00 63.24 H new ATOM 0 HG2 GLN A 48 -6.441 -24.398 -14.706 1.00 72.31 H new ATOM 0 HG3 GLN A 48 -4.805 -24.543 -14.095 1.00 72.31 H new ATOM 0 HE21 GLN A 48 -4.656 -24.525 -11.580 1.00 43.10 H new ATOM 0 HE22 GLN A 48 -5.838 -25.543 -10.751 1.00 43.10 H new ATOM 770 N LEU A 49 -4.302 -19.711 -14.612 1.00 40.44 N ATOM 771 CA LEU A 49 -4.213 -18.286 -14.315 1.00 12.54 C ATOM 772 C LEU A 49 -4.514 -18.015 -12.845 1.00 71.02 C ATOM 773 O LEU A 49 -5.592 -17.531 -12.499 1.00 2.15 O ATOM 774 CB LEU A 49 -5.184 -17.499 -15.199 1.00 75.10 C ATOM 775 CG LEU A 49 -4.633 -17.026 -16.544 1.00 14.43 C ATOM 776 CD1 LEU A 49 -3.447 -16.096 -16.339 1.00 31.41 C ATOM 777 CD2 LEU A 49 -4.237 -18.215 -17.407 1.00 22.10 C ATOM 0 H LEU A 49 -3.434 -20.126 -14.951 1.00 40.44 H new ATOM 0 HA LEU A 49 -3.194 -17.960 -14.524 1.00 12.54 H new ATOM 0 HB2 LEU A 49 -6.059 -18.121 -15.386 1.00 75.10 H new ATOM 0 HB3 LEU A 49 -5.526 -16.627 -14.642 1.00 75.10 H new ATOM 0 HG LEU A 49 -5.417 -16.473 -17.061 1.00 14.43 H new ATOM 0 HD11 LEU A 49 -3.069 -15.770 -17.308 1.00 31.41 H new ATOM 0 HD12 LEU A 49 -3.762 -15.227 -15.761 1.00 31.41 H new ATOM 0 HD13 LEU A 49 -2.660 -16.624 -15.801 1.00 31.41 H new ATOM 0 HD21 LEU A 49 -3.847 -17.859 -18.360 1.00 22.10 H new ATOM 0 HD22 LEU A 49 -3.470 -18.796 -16.896 1.00 22.10 H new ATOM 0 HD23 LEU A 49 -5.110 -18.843 -17.584 1.00 22.10 H new ATOM 789 N LYS A 50 -3.553 -18.329 -11.983 1.00 54.03 N ATOM 790 CA LYS A 50 -3.711 -18.117 -10.549 1.00 73.12 C ATOM 791 C LYS A 50 -2.399 -17.663 -9.917 1.00 13.13 C ATOM 792 O LYS A 50 -1.390 -17.505 -10.604 1.00 33.05 O ATOM 793 CB LYS A 50 -4.197 -19.401 -9.873 1.00 23.41 C ATOM 794 CG LYS A 50 -3.268 -20.585 -10.079 1.00 12.24 C ATOM 795 CD LYS A 50 -2.322 -20.763 -8.904 1.00 71.24 C ATOM 796 CE LYS A 50 -2.587 -22.068 -8.167 1.00 14.43 C ATOM 797 NZ LYS A 50 -2.504 -23.244 -9.076 1.00 41.23 N1+ ATOM 0 H LYS A 50 -2.656 -18.732 -12.253 1.00 54.03 H new ATOM 0 HA LYS A 50 -4.454 -17.333 -10.404 1.00 73.12 H new ATOM 0 HB2 LYS A 50 -4.309 -19.219 -8.804 1.00 23.41 H new ATOM 0 HB3 LYS A 50 -5.185 -19.653 -10.259 1.00 23.41 H new ATOM 0 HG2 LYS A 50 -3.857 -21.492 -10.213 1.00 12.24 H new ATOM 0 HG3 LYS A 50 -2.691 -20.441 -10.993 1.00 12.24 H new ATOM 0 HD2 LYS A 50 -1.292 -20.747 -9.260 1.00 71.24 H new ATOM 0 HD3 LYS A 50 -2.434 -19.926 -8.215 1.00 71.24 H new ATOM 0 HE2 LYS A 50 -1.865 -22.182 -7.359 1.00 14.43 H new ATOM 0 HE3 LYS A 50 -3.575 -22.032 -7.709 1.00 14.43 H new ATOM 0 HZ1 LYS A 50 -2.152 -24.067 -8.547 1.00 41.23 H new ATOM 0 HZ2 LYS A 50 -3.448 -23.455 -9.457 1.00 41.23 H new ATOM 0 HZ3 LYS A 50 -1.854 -23.032 -9.859 1.00 41.23 H new ATOM 811 N VAL A 51 -2.420 -17.455 -8.605 1.00 11.01 N ATOM 812 CA VAL A 51 -1.231 -17.021 -7.880 1.00 51.13 C ATOM 813 C VAL A 51 -1.221 -17.575 -6.460 1.00 24.24 C ATOM 814 O VAL A 51 -2.268 -17.702 -5.824 1.00 11.33 O ATOM 815 CB VAL A 51 -1.139 -15.485 -7.821 1.00 74.54 C ATOM 816 CG1 VAL A 51 -2.437 -14.892 -7.294 1.00 60.22 C ATOM 817 CG2 VAL A 51 0.041 -15.055 -6.962 1.00 51.31 C ATOM 0 H VAL A 51 -3.247 -17.580 -8.022 1.00 11.01 H new ATOM 0 HA VAL A 51 -0.369 -17.408 -8.424 1.00 51.13 H new ATOM 0 HB VAL A 51 -0.980 -15.109 -8.831 1.00 74.54 H new ATOM 0 HG11 VAL A 51 -2.353 -13.806 -7.259 1.00 60.22 H new ATOM 0 HG12 VAL A 51 -3.259 -15.172 -7.953 1.00 60.22 H new ATOM 0 HG13 VAL A 51 -2.630 -15.273 -6.291 1.00 60.22 H new ATOM 0 HG21 VAL A 51 0.091 -13.967 -6.931 1.00 51.31 H new ATOM 0 HG22 VAL A 51 -0.085 -15.441 -5.951 1.00 51.31 H new ATOM 0 HG23 VAL A 51 0.964 -15.449 -7.388 1.00 51.31 H new ATOM 827 N ASP A 52 -0.031 -17.902 -5.967 1.00 34.02 N ATOM 828 CA ASP A 52 0.116 -18.441 -4.620 1.00 10.05 C ATOM 829 C ASP A 52 1.405 -17.944 -3.974 1.00 41.12 C ATOM 830 O ASP A 52 2.264 -17.370 -4.643 1.00 32.23 O ATOM 831 CB ASP A 52 0.106 -19.970 -4.656 1.00 62.44 C ATOM 832 CG ASP A 52 -0.746 -20.518 -5.784 1.00 53.22 C ATOM 833 OD1 ASP A 52 -1.933 -20.819 -5.538 1.00 40.15 O ATOM 834 OD2 ASP A 52 -0.226 -20.645 -6.912 1.00 41.01 O1- ATOM 0 H ASP A 52 0.845 -17.803 -6.480 1.00 34.02 H new ATOM 0 HA ASP A 52 -0.727 -18.094 -4.022 1.00 10.05 H new ATOM 0 HB2 ASP A 52 1.127 -20.334 -4.766 1.00 62.44 H new ATOM 0 HB3 ASP A 52 -0.267 -20.350 -3.705 1.00 62.44 H new ATOM 839 N GLN A 53 1.532 -18.166 -2.670 1.00 45.12 N ATOM 840 CA GLN A 53 2.715 -17.738 -1.933 1.00 63.05 C ATOM 841 C GLN A 53 3.727 -18.873 -1.822 1.00 31.52 C ATOM 842 O GLN A 53 3.391 -20.040 -2.020 1.00 43.42 O ATOM 843 CB GLN A 53 2.324 -17.248 -0.538 1.00 21.35 C ATOM 844 CG GLN A 53 2.104 -18.373 0.462 1.00 51.34 C ATOM 845 CD GLN A 53 0.859 -19.184 0.163 1.00 13.11 C ATOM 846 OE1 GLN A 53 0.990 -20.168 -0.718 1.00 31.44 O flip ATOM 847 NE2 GLN A 53 -0.210 -18.928 0.719 1.00 1.42 N flip ATOM 0 H GLN A 53 0.830 -18.640 -2.102 1.00 45.12 H new ATOM 0 HA GLN A 53 3.176 -16.917 -2.482 1.00 63.05 H new ATOM 0 HB2 GLN A 53 3.104 -16.586 -0.162 1.00 21.35 H new ATOM 0 HB3 GLN A 53 1.412 -16.655 -0.612 1.00 21.35 H new ATOM 0 HG2 GLN A 53 2.972 -19.032 0.458 1.00 51.34 H new ATOM 0 HG3 GLN A 53 2.027 -17.953 1.465 1.00 51.34 H new ATOM 0 HE21 GLN A 53 -0.265 -18.162 1.390 1.00 1.42 H new ATOM 0 HE22 GLN A 53 -1.040 -19.482 0.508 1.00 1.42 H new ATOM 856 N GLY A 54 4.970 -18.523 -1.504 1.00 60.23 N ATOM 857 CA GLY A 54 6.012 -19.524 -1.373 1.00 32.11 C ATOM 858 C GLY A 54 6.616 -19.912 -2.708 1.00 61.12 C ATOM 859 O GLY A 54 6.578 -19.136 -3.664 1.00 34.53 O ATOM 0 H GLY A 54 5.273 -17.564 -1.335 1.00 60.23 H new ATOM 0 HA2 GLY A 54 6.797 -19.143 -0.720 1.00 32.11 H new ATOM 0 HA3 GLY A 54 5.600 -20.412 -0.893 1.00 32.11 H new ATOM 863 N VAL A 55 7.176 -21.115 -2.776 1.00 63.32 N ATOM 864 CA VAL A 55 7.792 -21.604 -4.004 1.00 0.23 C ATOM 865 C VAL A 55 7.135 -22.899 -4.469 1.00 31.05 C ATOM 866 O VAL A 55 6.693 -23.711 -3.656 1.00 13.53 O ATOM 867 CB VAL A 55 9.302 -21.845 -3.818 1.00 42.13 C ATOM 868 CG1 VAL A 55 9.546 -22.903 -2.753 1.00 35.12 C ATOM 869 CG2 VAL A 55 9.943 -22.246 -5.138 1.00 61.54 C ATOM 0 H VAL A 55 7.216 -21.770 -1.995 1.00 63.32 H new ATOM 0 HA VAL A 55 7.646 -20.833 -4.761 1.00 0.23 H new ATOM 0 HB VAL A 55 9.763 -20.916 -3.484 1.00 42.13 H new ATOM 0 HG11 VAL A 55 10.618 -23.060 -2.635 1.00 35.12 H new ATOM 0 HG12 VAL A 55 9.122 -22.570 -1.806 1.00 35.12 H new ATOM 0 HG13 VAL A 55 9.073 -23.838 -3.054 1.00 35.12 H new ATOM 0 HG21 VAL A 55 11.010 -22.412 -4.989 1.00 61.54 H new ATOM 0 HG22 VAL A 55 9.480 -23.163 -5.503 1.00 61.54 H new ATOM 0 HG23 VAL A 55 9.799 -21.450 -5.869 1.00 61.54 H new ATOM 879 N PHE A 56 7.075 -23.086 -5.784 1.00 21.01 N ATOM 880 CA PHE A 56 6.472 -24.282 -6.359 1.00 21.13 C ATOM 881 C PHE A 56 7.440 -25.460 -6.303 1.00 72.32 C ATOM 882 O PHE A 56 8.650 -25.277 -6.174 1.00 54.15 O ATOM 883 CB PHE A 56 6.051 -24.022 -7.807 1.00 15.22 C ATOM 884 CG PHE A 56 5.157 -25.087 -8.373 1.00 13.30 C ATOM 885 CD1 PHE A 56 3.993 -25.453 -7.717 1.00 53.50 C ATOM 886 CD2 PHE A 56 5.481 -25.724 -9.560 1.00 11.02 C ATOM 887 CE1 PHE A 56 3.167 -26.434 -8.235 1.00 22.55 C ATOM 888 CE2 PHE A 56 4.660 -26.704 -10.083 1.00 40.34 C ATOM 889 CZ PHE A 56 3.502 -27.061 -9.419 1.00 32.22 C ATOM 0 H PHE A 56 7.437 -22.424 -6.471 1.00 21.01 H new ATOM 0 HA PHE A 56 5.589 -24.531 -5.771 1.00 21.13 H new ATOM 0 HB2 PHE A 56 5.538 -23.062 -7.861 1.00 15.22 H new ATOM 0 HB3 PHE A 56 6.944 -23.941 -8.427 1.00 15.22 H new ATOM 0 HD1 PHE A 56 3.727 -24.967 -6.790 1.00 53.50 H new ATOM 0 HD2 PHE A 56 6.386 -25.451 -10.082 1.00 11.02 H new ATOM 0 HE1 PHE A 56 2.262 -26.709 -7.714 1.00 22.55 H new ATOM 0 HE2 PHE A 56 4.923 -27.191 -11.010 1.00 40.34 H new ATOM 0 HZ PHE A 56 2.860 -27.829 -9.825 1.00 32.22 H new ATOM 899 N ALA A 57 6.897 -26.669 -6.399 1.00 32.10 N ATOM 900 CA ALA A 57 7.712 -27.878 -6.361 1.00 4.40 C ATOM 901 C ALA A 57 8.790 -27.847 -7.439 1.00 45.14 C ATOM 902 O ALA A 57 9.862 -28.429 -7.274 1.00 5.11 O ATOM 903 CB ALA A 57 6.835 -29.111 -6.523 1.00 15.14 C ATOM 0 H ALA A 57 5.897 -26.838 -6.504 1.00 32.10 H new ATOM 0 HA ALA A 57 8.207 -27.923 -5.391 1.00 4.40 H new ATOM 0 HB1 ALA A 57 7.456 -30.006 -6.493 1.00 15.14 H new ATOM 0 HB2 ALA A 57 6.106 -29.148 -5.714 1.00 15.14 H new ATOM 0 HB3 ALA A 57 6.314 -29.064 -7.479 1.00 15.14 H new ATOM 909 N SER A 58 8.498 -27.166 -8.542 1.00 54.32 N ATOM 910 CA SER A 58 9.441 -27.064 -9.650 1.00 12.25 C ATOM 911 C SER A 58 8.873 -26.198 -10.769 1.00 23.03 C ATOM 912 O SER A 58 8.294 -26.690 -11.738 1.00 74.33 O ATOM 913 CB SER A 58 9.780 -28.455 -10.188 1.00 24.15 C ATOM 914 OG SER A 58 11.003 -28.926 -9.651 1.00 63.33 O ATOM 0 H SER A 58 7.616 -26.676 -8.693 1.00 54.32 H new ATOM 0 HA SER A 58 10.351 -26.594 -9.278 1.00 12.25 H new ATOM 0 HB2 SER A 58 8.978 -29.150 -9.938 1.00 24.15 H new ATOM 0 HB3 SER A 58 9.846 -28.421 -11.275 1.00 24.15 H new ATOM 0 HG SER A 58 10.966 -28.890 -8.672 1.00 63.33 H new ATOM 920 N PRO A 59 9.041 -24.874 -10.635 1.00 64.12 N ATOM 921 CA PRO A 59 8.552 -23.909 -11.625 1.00 73.32 C ATOM 922 C PRO A 59 9.334 -23.974 -12.932 1.00 23.22 C ATOM 923 O PRO A 59 10.544 -24.206 -12.933 1.00 4.44 O ATOM 924 CB PRO A 59 8.768 -22.557 -10.940 1.00 61.42 C ATOM 925 CG PRO A 59 9.877 -22.796 -9.973 1.00 4.13 C ATOM 926 CD PRO A 59 9.721 -24.216 -9.506 1.00 10.03 C ATOM 0 HA PRO A 59 7.516 -24.100 -11.903 1.00 73.32 H new ATOM 0 HB2 PRO A 59 9.032 -21.785 -11.662 1.00 61.42 H new ATOM 0 HB3 PRO A 59 7.864 -22.222 -10.431 1.00 61.42 H new ATOM 0 HG2 PRO A 59 10.847 -22.646 -10.447 1.00 4.13 H new ATOM 0 HG3 PRO A 59 9.820 -22.101 -9.135 1.00 4.13 H new ATOM 0 HD2 PRO A 59 10.685 -24.677 -9.294 1.00 10.03 H new ATOM 0 HD3 PRO A 59 9.131 -24.276 -8.591 1.00 10.03 H new ATOM 934 N ASP A 60 8.637 -23.769 -14.044 1.00 20.31 N ATOM 935 CA ASP A 60 9.267 -23.803 -15.359 1.00 71.05 C ATOM 936 C ASP A 60 10.170 -22.590 -15.560 1.00 72.31 C ATOM 937 O ASP A 60 11.011 -22.572 -16.460 1.00 5.43 O ATOM 938 CB ASP A 60 8.202 -23.849 -16.457 1.00 60.31 C ATOM 939 CG ASP A 60 8.257 -25.133 -17.262 1.00 74.41 C ATOM 940 OD1 ASP A 60 8.431 -25.052 -18.496 1.00 62.40 O ATOM 941 OD2 ASP A 60 8.127 -26.218 -16.658 1.00 72.43 O1- ATOM 0 H ASP A 60 7.635 -23.577 -14.061 1.00 20.31 H new ATOM 0 HA ASP A 60 9.879 -24.703 -15.419 1.00 71.05 H new ATOM 0 HB2 ASP A 60 7.215 -23.748 -16.006 1.00 60.31 H new ATOM 0 HB3 ASP A 60 8.336 -22.998 -17.125 1.00 60.31 H new ATOM 946 N VAL A 61 9.990 -21.578 -14.718 1.00 23.13 N ATOM 947 CA VAL A 61 10.789 -20.361 -14.803 1.00 4.42 C ATOM 948 C VAL A 61 10.938 -19.705 -13.435 1.00 2.01 C ATOM 949 O VAL A 61 10.023 -19.745 -12.612 1.00 3.25 O ATOM 950 CB VAL A 61 10.165 -19.348 -15.782 1.00 33.32 C ATOM 951 CG1 VAL A 61 10.909 -18.022 -15.723 1.00 0.55 C ATOM 952 CG2 VAL A 61 10.164 -19.906 -17.197 1.00 33.43 C ATOM 0 H VAL A 61 9.298 -21.576 -13.969 1.00 23.13 H new ATOM 0 HA VAL A 61 11.773 -20.652 -15.171 1.00 4.42 H new ATOM 0 HB VAL A 61 9.131 -19.171 -15.486 1.00 33.32 H new ATOM 0 HG11 VAL A 61 10.455 -17.319 -16.421 1.00 0.55 H new ATOM 0 HG12 VAL A 61 10.853 -17.618 -14.712 1.00 0.55 H new ATOM 0 HG13 VAL A 61 11.953 -18.178 -15.994 1.00 0.55 H new ATOM 0 HG21 VAL A 61 9.720 -19.177 -17.875 1.00 33.43 H new ATOM 0 HG22 VAL A 61 11.188 -20.113 -17.507 1.00 33.43 H new ATOM 0 HG23 VAL A 61 9.583 -20.828 -17.224 1.00 33.43 H new ATOM 962 N THR A 62 12.097 -19.099 -13.199 1.00 50.24 N ATOM 963 CA THR A 62 12.367 -18.434 -11.930 1.00 14.23 C ATOM 964 C THR A 62 12.671 -16.954 -12.139 1.00 31.34 C ATOM 965 O THR A 62 13.673 -16.598 -12.758 1.00 52.43 O ATOM 966 CB THR A 62 13.549 -19.090 -11.192 1.00 64.24 C ATOM 967 OG1 THR A 62 13.870 -20.346 -11.800 1.00 4.13 O ATOM 968 CG2 THR A 62 13.219 -19.302 -9.722 1.00 53.40 C ATOM 0 H THR A 62 12.864 -19.055 -13.870 1.00 50.24 H new ATOM 0 HA THR A 62 11.468 -18.536 -11.322 1.00 14.23 H new ATOM 0 HB THR A 62 14.408 -18.423 -11.263 1.00 64.24 H new ATOM 0 HG1 THR A 62 14.681 -20.711 -11.389 1.00 4.13 H new ATOM 0 HG21 THR A 62 14.069 -19.766 -9.222 1.00 53.40 H new ATOM 0 HG22 THR A 62 13.004 -18.341 -9.255 1.00 53.40 H new ATOM 0 HG23 THR A 62 12.348 -19.951 -9.635 1.00 53.40 H new ATOM 976 N VAL A 63 11.800 -16.097 -11.618 1.00 71.42 N ATOM 977 CA VAL A 63 11.976 -14.655 -11.746 1.00 52.44 C ATOM 978 C VAL A 63 12.532 -14.053 -10.460 1.00 12.25 C ATOM 979 O VAL A 63 12.036 -14.329 -9.367 1.00 15.12 O ATOM 980 CB VAL A 63 10.649 -13.956 -12.095 1.00 74.33 C ATOM 981 CG1 VAL A 63 10.872 -12.467 -12.317 1.00 23.22 C ATOM 982 CG2 VAL A 63 10.016 -14.597 -13.321 1.00 54.53 C ATOM 0 H VAL A 63 10.965 -16.376 -11.103 1.00 71.42 H new ATOM 0 HA VAL A 63 12.687 -14.494 -12.556 1.00 52.44 H new ATOM 0 HB VAL A 63 9.964 -14.075 -11.256 1.00 74.33 H new ATOM 0 HG11 VAL A 63 9.923 -11.990 -12.563 1.00 23.22 H new ATOM 0 HG12 VAL A 63 11.279 -12.021 -11.409 1.00 23.22 H new ATOM 0 HG13 VAL A 63 11.574 -12.323 -13.138 1.00 23.22 H new ATOM 0 HG21 VAL A 63 9.079 -14.091 -13.553 1.00 54.53 H new ATOM 0 HG22 VAL A 63 10.696 -14.510 -14.169 1.00 54.53 H new ATOM 0 HG23 VAL A 63 9.819 -15.650 -13.120 1.00 54.53 H new ATOM 992 N THR A 64 13.565 -13.228 -10.597 1.00 21.22 N ATOM 993 CA THR A 64 14.190 -12.587 -9.447 1.00 44.01 C ATOM 994 C THR A 64 14.145 -11.068 -9.572 1.00 25.10 C ATOM 995 O THR A 64 14.861 -10.481 -10.383 1.00 72.04 O ATOM 996 CB THR A 64 15.654 -13.034 -9.281 1.00 34.33 C ATOM 997 OG1 THR A 64 15.955 -14.082 -10.210 1.00 1.35 O ATOM 998 CG2 THR A 64 15.916 -13.517 -7.862 1.00 73.53 C ATOM 0 H THR A 64 13.987 -12.988 -11.494 1.00 21.22 H new ATOM 0 HA THR A 64 13.623 -12.893 -8.568 1.00 44.01 H new ATOM 0 HB THR A 64 16.297 -12.176 -9.480 1.00 34.33 H new ATOM 0 HG1 THR A 64 16.897 -14.337 -10.121 1.00 1.35 H new ATOM 0 HG21 THR A 64 16.957 -13.827 -7.770 1.00 73.53 H new ATOM 0 HG22 THR A 64 15.715 -12.708 -7.159 1.00 73.53 H new ATOM 0 HG23 THR A 64 15.264 -14.362 -7.639 1.00 73.53 H new ATOM 1006 N VAL A 65 13.299 -10.437 -8.763 1.00 24.10 N ATOM 1007 CA VAL A 65 13.163 -8.986 -8.783 1.00 44.40 C ATOM 1008 C VAL A 65 13.177 -8.414 -7.370 1.00 72.43 C ATOM 1009 O VAL A 65 12.730 -9.059 -6.423 1.00 51.43 O ATOM 1010 CB VAL A 65 11.862 -8.554 -9.486 1.00 33.51 C ATOM 1011 CG1 VAL A 65 10.649 -9.096 -8.746 1.00 53.11 C ATOM 1012 CG2 VAL A 65 11.796 -7.038 -9.598 1.00 61.51 C ATOM 0 H VAL A 65 12.698 -10.908 -8.086 1.00 24.10 H new ATOM 0 HA VAL A 65 14.015 -8.596 -9.339 1.00 44.40 H new ATOM 0 HB VAL A 65 11.858 -8.971 -10.493 1.00 33.51 H new ATOM 0 HG11 VAL A 65 9.740 -8.780 -9.258 1.00 53.11 H new ATOM 0 HG12 VAL A 65 10.693 -10.185 -8.723 1.00 53.11 H new ATOM 0 HG13 VAL A 65 10.643 -8.712 -7.726 1.00 53.11 H new ATOM 0 HG21 VAL A 65 10.871 -6.750 -10.097 1.00 61.51 H new ATOM 0 HG22 VAL A 65 11.823 -6.598 -8.601 1.00 61.51 H new ATOM 0 HG23 VAL A 65 12.647 -6.678 -10.176 1.00 61.51 H new ATOM 1022 N GLY A 66 13.695 -7.196 -7.235 1.00 71.14 N ATOM 1023 CA GLY A 66 13.758 -6.557 -5.934 1.00 41.23 C ATOM 1024 C GLY A 66 12.503 -5.769 -5.614 1.00 23.54 C ATOM 1025 O GLY A 66 11.730 -5.428 -6.510 1.00 73.14 O ATOM 0 H GLY A 66 14.072 -6.641 -8.004 1.00 71.14 H new ATOM 0 HA2 GLY A 66 13.912 -7.316 -5.167 1.00 41.23 H new ATOM 0 HA3 GLY A 66 14.620 -5.891 -5.901 1.00 41.23 H new ATOM 1029 N LEU A 67 12.299 -5.480 -4.333 1.00 13.24 N ATOM 1030 CA LEU A 67 11.128 -4.728 -3.896 1.00 45.22 C ATOM 1031 C LEU A 67 10.984 -3.434 -4.690 1.00 21.23 C ATOM 1032 O LEU A 67 9.995 -3.234 -5.395 1.00 45.23 O ATOM 1033 CB LEU A 67 11.226 -4.416 -2.402 1.00 52.23 C ATOM 1034 CG LEU A 67 9.899 -4.240 -1.664 1.00 43.21 C ATOM 1035 CD1 LEU A 67 9.230 -5.587 -1.441 1.00 15.22 C ATOM 1036 CD2 LEU A 67 10.116 -3.524 -0.339 1.00 21.12 C ATOM 0 H LEU A 67 12.929 -5.755 -3.579 1.00 13.24 H new ATOM 0 HA LEU A 67 10.245 -5.342 -4.075 1.00 45.22 H new ATOM 0 HB2 LEU A 67 11.783 -5.219 -1.920 1.00 52.23 H new ATOM 0 HB3 LEU A 67 11.810 -3.504 -2.279 1.00 52.23 H new ATOM 0 HG LEU A 67 9.241 -3.628 -2.281 1.00 43.21 H new ATOM 0 HD11 LEU A 67 8.287 -5.442 -0.914 1.00 15.22 H new ATOM 0 HD12 LEU A 67 9.039 -6.062 -2.403 1.00 15.22 H new ATOM 0 HD13 LEU A 67 9.884 -6.224 -0.845 1.00 15.22 H new ATOM 0 HD21 LEU A 67 9.160 -3.408 0.172 1.00 21.12 H new ATOM 0 HD22 LEU A 67 10.792 -4.109 0.284 1.00 21.12 H new ATOM 0 HD23 LEU A 67 10.551 -2.542 -0.523 1.00 21.12 H new ATOM 1048 N GLU A 68 11.978 -2.559 -4.572 1.00 23.10 N ATOM 1049 CA GLU A 68 11.962 -1.285 -5.280 1.00 24.34 C ATOM 1050 C GLU A 68 11.692 -1.492 -6.767 1.00 61.31 C ATOM 1051 O GLU A 68 10.952 -0.729 -7.388 1.00 21.23 O ATOM 1052 CB GLU A 68 13.292 -0.553 -5.088 1.00 2.03 C ATOM 1053 CG GLU A 68 13.662 -0.335 -3.631 1.00 62.33 C ATOM 1054 CD GLU A 68 14.272 1.031 -3.382 1.00 54.24 C ATOM 1055 OE1 GLU A 68 15.508 1.107 -3.218 1.00 72.13 O ATOM 1056 OE2 GLU A 68 13.514 2.022 -3.350 1.00 60.41 O1- ATOM 0 H GLU A 68 12.804 -2.709 -3.993 1.00 23.10 H new ATOM 0 HA GLU A 68 11.158 -0.677 -4.864 1.00 24.34 H new ATOM 0 HB2 GLU A 68 14.084 -1.123 -5.574 1.00 2.03 H new ATOM 0 HB3 GLU A 68 13.241 0.413 -5.590 1.00 2.03 H new ATOM 0 HG2 GLU A 68 12.771 -0.449 -3.013 1.00 62.33 H new ATOM 0 HG3 GLU A 68 14.367 -1.106 -3.320 1.00 62.33 H new ATOM 1063 N ASP A 69 12.298 -2.530 -7.333 1.00 20.45 N ATOM 1064 CA ASP A 69 12.124 -2.840 -8.747 1.00 42.22 C ATOM 1065 C ASP A 69 10.658 -3.116 -9.067 1.00 43.43 C ATOM 1066 O ASP A 69 10.113 -2.584 -10.033 1.00 14.14 O ATOM 1067 CB ASP A 69 12.980 -4.046 -9.136 1.00 71.20 C ATOM 1068 CG ASP A 69 14.464 -3.780 -8.975 1.00 61.35 C ATOM 1069 OD1 ASP A 69 15.246 -4.753 -8.989 1.00 51.33 O ATOM 1070 OD2 ASP A 69 14.842 -2.598 -8.836 1.00 23.21 O1- ATOM 0 H ASP A 69 12.914 -3.171 -6.834 1.00 20.45 H new ATOM 0 HA ASP A 69 12.446 -1.974 -9.325 1.00 42.22 H new ATOM 0 HB2 ASP A 69 12.698 -4.901 -8.521 1.00 71.20 H new ATOM 0 HB3 ASP A 69 12.773 -4.316 -10.171 1.00 71.20 H new ATOM 1075 N MET A 70 10.027 -3.953 -8.249 1.00 54.02 N ATOM 1076 CA MET A 70 8.624 -4.299 -8.445 1.00 40.11 C ATOM 1077 C MET A 70 7.733 -3.072 -8.284 1.00 33.44 C ATOM 1078 O MET A 70 6.923 -2.761 -9.158 1.00 2.01 O ATOM 1079 CB MET A 70 8.202 -5.385 -7.454 1.00 64.44 C ATOM 1080 CG MET A 70 8.379 -6.797 -7.987 1.00 53.12 C ATOM 1081 SD MET A 70 6.971 -7.861 -7.618 1.00 44.35 S ATOM 1082 CE MET A 70 6.693 -8.621 -9.216 1.00 74.02 C ATOM 0 H MET A 70 10.465 -4.403 -7.445 1.00 54.02 H new ATOM 0 HA MET A 70 8.507 -4.678 -9.460 1.00 40.11 H new ATOM 0 HB2 MET A 70 8.784 -5.276 -6.539 1.00 64.44 H new ATOM 0 HB3 MET A 70 7.156 -5.235 -7.187 1.00 64.44 H new ATOM 0 HG2 MET A 70 8.527 -6.758 -9.066 1.00 53.12 H new ATOM 0 HG3 MET A 70 9.281 -7.233 -7.557 1.00 53.12 H new ATOM 0 HE1 MET A 70 5.690 -9.047 -9.247 1.00 74.02 H new ATOM 0 HE2 MET A 70 6.792 -7.869 -9.999 1.00 74.02 H new ATOM 0 HE3 MET A 70 7.428 -9.410 -9.376 1.00 74.02 H new ATOM 1092 N LEU A 71 7.887 -2.379 -7.161 1.00 4.41 N ATOM 1093 CA LEU A 71 7.096 -1.184 -6.885 1.00 52.32 C ATOM 1094 C LEU A 71 7.162 -0.205 -8.053 1.00 50.24 C ATOM 1095 O LEU A 71 6.187 0.482 -8.355 1.00 51.41 O ATOM 1096 CB LEU A 71 7.591 -0.505 -5.607 1.00 73.33 C ATOM 1097 CG LEU A 71 7.690 -1.397 -4.368 1.00 72.22 C ATOM 1098 CD1 LEU A 71 8.743 -0.863 -3.409 1.00 1.03 C ATOM 1099 CD2 LEU A 71 6.339 -1.500 -3.676 1.00 30.51 C ATOM 0 H LEU A 71 8.552 -2.624 -6.427 1.00 4.41 H new ATOM 0 HA LEU A 71 6.058 -1.489 -6.749 1.00 52.32 H new ATOM 0 HB2 LEU A 71 8.575 -0.079 -5.803 1.00 73.33 H new ATOM 0 HB3 LEU A 71 6.924 0.326 -5.379 1.00 73.33 H new ATOM 0 HG LEU A 71 7.990 -2.396 -4.685 1.00 72.22 H new ATOM 0 HD11 LEU A 71 8.799 -1.510 -2.534 1.00 1.03 H new ATOM 0 HD12 LEU A 71 9.712 -0.842 -3.908 1.00 1.03 H new ATOM 0 HD13 LEU A 71 8.473 0.146 -3.097 1.00 1.03 H new ATOM 0 HD21 LEU A 71 6.428 -2.138 -2.797 1.00 30.51 H new ATOM 0 HD22 LEU A 71 6.010 -0.507 -3.371 1.00 30.51 H new ATOM 0 HD23 LEU A 71 5.610 -1.929 -4.363 1.00 30.51 H new ATOM 1111 N ALA A 72 8.317 -0.149 -8.707 1.00 72.12 N ATOM 1112 CA ALA A 72 8.509 0.742 -9.844 1.00 10.33 C ATOM 1113 C ALA A 72 7.556 0.393 -10.982 1.00 3.31 C ATOM 1114 O ALA A 72 6.940 1.275 -11.581 1.00 20.22 O ATOM 1115 CB ALA A 72 9.951 0.682 -10.324 1.00 1.25 C ATOM 0 H ALA A 72 9.134 -0.711 -8.469 1.00 72.12 H new ATOM 0 HA ALA A 72 8.288 1.759 -9.519 1.00 10.33 H new ATOM 0 HB1 ALA A 72 10.080 1.352 -11.174 1.00 1.25 H new ATOM 0 HB2 ALA A 72 10.616 0.988 -9.516 1.00 1.25 H new ATOM 0 HB3 ALA A 72 10.192 -0.337 -10.626 1.00 1.25 H new ATOM 1121 N ILE A 73 7.440 -0.898 -11.275 1.00 10.35 N ATOM 1122 CA ILE A 73 6.561 -1.363 -12.341 1.00 70.44 C ATOM 1123 C ILE A 73 5.098 -1.288 -11.919 1.00 3.41 C ATOM 1124 O ILE A 73 4.304 -0.564 -12.520 1.00 51.33 O ATOM 1125 CB ILE A 73 6.892 -2.810 -12.753 1.00 2.34 C ATOM 1126 CG1 ILE A 73 8.406 -2.997 -12.867 1.00 5.34 C ATOM 1127 CG2 ILE A 73 6.210 -3.155 -14.068 1.00 52.42 C ATOM 1128 CD1 ILE A 73 8.810 -4.363 -13.376 1.00 20.44 C ATOM 0 H ILE A 73 7.944 -1.640 -10.789 1.00 10.35 H new ATOM 0 HA ILE A 73 6.724 -0.705 -13.194 1.00 70.44 H new ATOM 0 HB ILE A 73 6.518 -3.486 -11.984 1.00 2.34 H new ATOM 0 HG12 ILE A 73 8.809 -2.236 -13.535 1.00 5.34 H new ATOM 0 HG13 ILE A 73 8.859 -2.834 -11.889 1.00 5.34 H new ATOM 0 HG21 ILE A 73 6.453 -4.180 -14.346 1.00 52.42 H new ATOM 0 HG22 ILE A 73 5.130 -3.056 -13.955 1.00 52.42 H new ATOM 0 HG23 ILE A 73 6.557 -2.476 -14.847 1.00 52.42 H new ATOM 0 HD11 ILE A 73 9.897 -4.424 -13.431 1.00 20.44 H new ATOM 0 HD12 ILE A 73 8.438 -5.129 -12.696 1.00 20.44 H new ATOM 0 HD13 ILE A 73 8.387 -4.521 -14.368 1.00 20.44 H new ATOM 1140 N SER A 74 4.748 -2.040 -10.881 1.00 34.22 N ATOM 1141 CA SER A 74 3.379 -2.061 -10.379 1.00 34.44 C ATOM 1142 C SER A 74 2.906 -0.653 -10.033 1.00 12.00 C ATOM 1143 O SER A 74 1.709 -0.368 -10.043 1.00 4.54 O ATOM 1144 CB SER A 74 3.279 -2.962 -9.146 1.00 32.15 C ATOM 1145 OG SER A 74 2.512 -2.347 -8.126 1.00 43.53 O ATOM 0 H SER A 74 5.393 -2.643 -10.371 1.00 34.22 H new ATOM 0 HA SER A 74 2.736 -2.459 -11.164 1.00 34.44 H new ATOM 0 HB2 SER A 74 2.825 -3.914 -9.423 1.00 32.15 H new ATOM 0 HB3 SER A 74 4.278 -3.183 -8.771 1.00 32.15 H new ATOM 0 HG SER A 74 1.602 -2.711 -8.136 1.00 43.53 H new ATOM 1151 N GLY A 75 3.855 0.226 -9.728 1.00 30.23 N ATOM 1152 CA GLY A 75 3.517 1.595 -9.384 1.00 71.54 C ATOM 1153 C GLY A 75 3.145 2.423 -10.598 1.00 52.41 C ATOM 1154 O GLY A 75 2.805 3.600 -10.475 1.00 72.55 O ATOM 0 H GLY A 75 4.853 0.015 -9.713 1.00 30.23 H new ATOM 0 HA2 GLY A 75 2.685 1.595 -8.680 1.00 71.54 H new ATOM 0 HA3 GLY A 75 4.363 2.059 -8.877 1.00 71.54 H new ATOM 1158 N LYS A 76 3.210 1.808 -11.774 1.00 72.22 N ATOM 1159 CA LYS A 76 2.878 2.496 -13.016 1.00 63.32 C ATOM 1160 C LYS A 76 3.853 3.638 -13.284 1.00 4.25 C ATOM 1161 O LYS A 76 3.607 4.491 -14.137 1.00 51.51 O ATOM 1162 CB LYS A 76 1.447 3.036 -12.958 1.00 43.21 C ATOM 1163 CG LYS A 76 0.512 2.189 -12.112 1.00 10.13 C ATOM 1164 CD LYS A 76 -0.932 2.331 -12.565 1.00 41.34 C ATOM 1165 CE LYS A 76 -1.825 1.285 -11.916 1.00 40.22 C ATOM 1166 NZ LYS A 76 -3.147 1.850 -11.525 1.00 53.25 N1+ ATOM 0 H LYS A 76 3.490 0.834 -11.893 1.00 72.22 H new ATOM 0 HA LYS A 76 2.956 1.777 -13.831 1.00 63.32 H new ATOM 0 HB2 LYS A 76 1.466 4.050 -12.559 1.00 43.21 H new ATOM 0 HB3 LYS A 76 1.050 3.099 -13.971 1.00 43.21 H new ATOM 0 HG2 LYS A 76 0.812 1.143 -12.173 1.00 10.13 H new ATOM 0 HG3 LYS A 76 0.597 2.485 -11.066 1.00 10.13 H new ATOM 0 HD2 LYS A 76 -1.296 3.327 -12.315 1.00 41.34 H new ATOM 0 HD3 LYS A 76 -0.985 2.234 -13.649 1.00 41.34 H new ATOM 0 HE2 LYS A 76 -1.975 0.456 -12.607 1.00 40.22 H new ATOM 0 HE3 LYS A 76 -1.328 0.880 -11.035 1.00 40.22 H new ATOM 0 HZ1 LYS A 76 -3.726 1.106 -11.086 1.00 53.25 H new ATOM 0 HZ2 LYS A 76 -3.006 2.625 -10.846 1.00 53.25 H new ATOM 0 HZ3 LYS A 76 -3.632 2.214 -12.370 1.00 53.25 H new ATOM 1180 N THR A 77 4.961 3.648 -12.550 1.00 13.43 N ATOM 1181 CA THR A 77 5.973 4.685 -12.708 1.00 43.43 C ATOM 1182 C THR A 77 7.046 4.259 -13.704 1.00 63.21 C ATOM 1183 O THR A 77 7.552 5.076 -14.474 1.00 21.54 O ATOM 1184 CB THR A 77 6.644 5.025 -11.363 1.00 71.41 C ATOM 1185 OG1 THR A 77 7.499 3.951 -10.957 1.00 24.34 O ATOM 1186 CG2 THR A 77 5.600 5.284 -10.288 1.00 61.23 C ATOM 0 H THR A 77 5.180 2.949 -11.840 1.00 13.43 H new ATOM 0 HA THR A 77 5.462 5.571 -13.085 1.00 43.43 H new ATOM 0 HB THR A 77 7.237 5.930 -11.496 1.00 71.41 H new ATOM 0 HG1 THR A 77 7.074 3.095 -11.173 1.00 24.34 H new ATOM 0 HG21 THR A 77 6.097 5.522 -9.348 1.00 61.23 H new ATOM 0 HG22 THR A 77 4.970 6.121 -10.587 1.00 61.23 H new ATOM 0 HG23 THR A 77 4.984 4.395 -10.158 1.00 61.23 H new ATOM 1194 N LEU A 78 7.387 2.975 -13.686 1.00 61.23 N ATOM 1195 CA LEU A 78 8.400 2.440 -14.589 1.00 64.41 C ATOM 1196 C LEU A 78 7.858 1.246 -15.369 1.00 4.21 C ATOM 1197 O LEU A 78 6.824 0.678 -15.017 1.00 64.35 O ATOM 1198 CB LEU A 78 9.646 2.028 -13.804 1.00 40.00 C ATOM 1199 CG LEU A 78 10.978 2.152 -14.544 1.00 14.14 C ATOM 1200 CD1 LEU A 78 12.061 2.669 -13.610 1.00 21.42 C ATOM 1201 CD2 LEU A 78 11.382 0.813 -15.143 1.00 52.03 C ATOM 0 H LEU A 78 6.977 2.285 -13.056 1.00 61.23 H new ATOM 0 HA LEU A 78 8.668 3.223 -15.299 1.00 64.41 H new ATOM 0 HB2 LEU A 78 9.698 2.634 -12.900 1.00 40.00 H new ATOM 0 HB3 LEU A 78 9.525 0.992 -13.487 1.00 40.00 H new ATOM 0 HG LEU A 78 10.855 2.868 -15.356 1.00 14.14 H new ATOM 0 HD11 LEU A 78 13.002 2.751 -14.154 1.00 21.42 H new ATOM 0 HD12 LEU A 78 11.775 3.650 -13.229 1.00 21.42 H new ATOM 0 HD13 LEU A 78 12.183 1.978 -12.776 1.00 21.42 H new ATOM 0 HD21 LEU A 78 12.332 0.920 -15.666 1.00 52.03 H new ATOM 0 HD22 LEU A 78 11.487 0.075 -14.347 1.00 52.03 H new ATOM 0 HD23 LEU A 78 10.617 0.483 -15.845 1.00 52.03 H new ATOM 1213 N THR A 79 8.564 0.869 -16.430 1.00 53.44 N ATOM 1214 CA THR A 79 8.156 -0.258 -17.259 1.00 2.24 C ATOM 1215 C THR A 79 9.165 -1.397 -17.175 1.00 31.21 C ATOM 1216 O THR A 79 10.361 -1.168 -16.994 1.00 53.42 O ATOM 1217 CB THR A 79 7.990 0.160 -18.733 1.00 73.11 C ATOM 1218 OG1 THR A 79 9.275 0.385 -19.325 1.00 25.35 O ATOM 1219 CG2 THR A 79 7.146 1.420 -18.847 1.00 71.32 C ATOM 0 H THR A 79 9.422 1.328 -16.736 1.00 53.44 H new ATOM 0 HA THR A 79 7.195 -0.600 -16.876 1.00 2.24 H new ATOM 0 HB THR A 79 7.482 -0.647 -19.262 1.00 73.11 H new ATOM 0 HG1 THR A 79 9.162 0.649 -20.262 1.00 25.35 H new ATOM 0 HG21 THR A 79 7.043 1.695 -19.897 1.00 71.32 H new ATOM 0 HG22 THR A 79 6.159 1.237 -18.421 1.00 71.32 H new ATOM 0 HG23 THR A 79 7.630 2.232 -18.305 1.00 71.32 H new ATOM 1227 N VAL A 80 8.676 -2.626 -17.310 1.00 5.33 N ATOM 1228 CA VAL A 80 9.537 -3.801 -17.251 1.00 10.20 C ATOM 1229 C VAL A 80 10.697 -3.683 -18.234 1.00 63.11 C ATOM 1230 O VAL A 80 11.813 -4.113 -17.947 1.00 72.02 O ATOM 1231 CB VAL A 80 8.749 -5.089 -17.557 1.00 1.42 C ATOM 1232 CG1 VAL A 80 9.668 -6.301 -17.512 1.00 32.31 C ATOM 1233 CG2 VAL A 80 7.593 -5.250 -16.582 1.00 54.23 C ATOM 0 H VAL A 80 7.689 -2.833 -17.461 1.00 5.33 H new ATOM 0 HA VAL A 80 9.929 -3.855 -16.236 1.00 10.20 H new ATOM 0 HB VAL A 80 8.338 -5.012 -18.563 1.00 1.42 H new ATOM 0 HG11 VAL A 80 9.094 -7.201 -17.731 1.00 32.31 H new ATOM 0 HG12 VAL A 80 10.459 -6.186 -18.254 1.00 32.31 H new ATOM 0 HG13 VAL A 80 10.111 -6.385 -16.520 1.00 32.31 H new ATOM 0 HG21 VAL A 80 7.047 -6.165 -16.813 1.00 54.23 H new ATOM 0 HG22 VAL A 80 7.980 -5.305 -15.565 1.00 54.23 H new ATOM 0 HG23 VAL A 80 6.922 -4.395 -16.669 1.00 54.23 H new ATOM 1243 N GLY A 81 10.424 -3.095 -19.395 1.00 1.42 N ATOM 1244 CA GLY A 81 11.455 -2.930 -20.403 1.00 4.53 C ATOM 1245 C GLY A 81 12.695 -2.250 -19.857 1.00 72.43 C ATOM 1246 O GLY A 81 13.809 -2.748 -20.024 1.00 54.32 O ATOM 0 H GLY A 81 9.508 -2.730 -19.655 1.00 1.42 H new ATOM 0 HA2 GLY A 81 11.726 -3.906 -20.804 1.00 4.53 H new ATOM 0 HA3 GLY A 81 11.058 -2.344 -21.232 1.00 4.53 H new ATOM 1250 N ASP A 82 12.504 -1.108 -19.206 1.00 14.13 N ATOM 1251 CA ASP A 82 13.616 -0.358 -18.635 1.00 21.43 C ATOM 1252 C ASP A 82 14.404 -1.218 -17.652 1.00 23.42 C ATOM 1253 O ASP A 82 15.609 -1.411 -17.808 1.00 72.21 O ATOM 1254 CB ASP A 82 13.104 0.901 -17.933 1.00 22.14 C ATOM 1255 CG ASP A 82 13.685 2.170 -18.524 1.00 13.02 C ATOM 1256 OD1 ASP A 82 13.094 2.701 -19.487 1.00 14.15 O ATOM 1257 OD2 ASP A 82 14.730 2.633 -18.021 1.00 41.32 O1- ATOM 0 H ASP A 82 11.589 -0.681 -19.061 1.00 14.13 H new ATOM 0 HA ASP A 82 14.280 -0.066 -19.449 1.00 21.43 H new ATOM 0 HB2 ASP A 82 12.017 0.936 -18.003 1.00 22.14 H new ATOM 0 HB3 ASP A 82 13.354 0.850 -16.873 1.00 22.14 H new ATOM 1262 N ALA A 83 13.715 -1.732 -16.638 1.00 45.42 N ATOM 1263 CA ALA A 83 14.349 -2.572 -15.630 1.00 21.54 C ATOM 1264 C ALA A 83 15.046 -3.767 -16.272 1.00 74.42 C ATOM 1265 O ALA A 83 16.095 -4.213 -15.803 1.00 71.11 O ATOM 1266 CB ALA A 83 13.322 -3.042 -14.612 1.00 12.34 C ATOM 0 H ALA A 83 12.717 -1.581 -16.493 1.00 45.42 H new ATOM 0 HA ALA A 83 15.104 -1.976 -15.118 1.00 21.54 H new ATOM 0 HB1 ALA A 83 13.810 -3.668 -13.865 1.00 12.34 H new ATOM 0 HB2 ALA A 83 12.873 -2.178 -14.123 1.00 12.34 H new ATOM 0 HB3 ALA A 83 12.546 -3.617 -15.117 1.00 12.34 H new ATOM 1272 N LEU A 84 14.457 -4.284 -17.345 1.00 41.30 N ATOM 1273 CA LEU A 84 15.022 -5.429 -18.051 1.00 72.41 C ATOM 1274 C LEU A 84 16.474 -5.169 -18.437 1.00 23.24 C ATOM 1275 O LEU A 84 17.359 -5.974 -18.147 1.00 61.34 O ATOM 1276 CB LEU A 84 14.197 -5.739 -19.301 1.00 54.12 C ATOM 1277 CG LEU A 84 13.635 -7.157 -19.400 1.00 10.02 C ATOM 1278 CD1 LEU A 84 14.757 -8.164 -19.594 1.00 35.23 C ATOM 1279 CD2 LEU A 84 12.820 -7.495 -18.160 1.00 24.15 C ATOM 0 H LEU A 84 13.589 -3.929 -17.745 1.00 41.30 H new ATOM 0 HA LEU A 84 14.993 -6.288 -17.381 1.00 72.41 H new ATOM 0 HB2 LEU A 84 13.365 -5.036 -19.346 1.00 54.12 H new ATOM 0 HB3 LEU A 84 14.819 -5.554 -20.177 1.00 54.12 H new ATOM 0 HG LEU A 84 12.977 -7.207 -20.268 1.00 10.02 H new ATOM 0 HD11 LEU A 84 14.337 -9.168 -19.662 1.00 35.23 H new ATOM 0 HD12 LEU A 84 15.298 -7.934 -20.512 1.00 35.23 H new ATOM 0 HD13 LEU A 84 15.441 -8.114 -18.747 1.00 35.23 H new ATOM 0 HD21 LEU A 84 12.428 -8.508 -18.248 1.00 24.15 H new ATOM 0 HD22 LEU A 84 13.456 -7.427 -17.277 1.00 24.15 H new ATOM 0 HD23 LEU A 84 11.992 -6.792 -18.066 1.00 24.15 H new ATOM 1291 N LYS A 85 16.714 -4.037 -19.091 1.00 13.23 N ATOM 1292 CA LYS A 85 18.059 -3.668 -19.515 1.00 53.44 C ATOM 1293 C LYS A 85 18.959 -3.417 -18.309 1.00 73.11 C ATOM 1294 O LYS A 85 20.085 -3.911 -18.252 1.00 1.12 O ATOM 1295 CB LYS A 85 18.013 -2.419 -20.398 1.00 25.42 C ATOM 1296 CG LYS A 85 18.469 -2.667 -21.826 1.00 52.24 C ATOM 1297 CD LYS A 85 19.974 -2.515 -21.965 1.00 12.13 C ATOM 1298 CE LYS A 85 20.683 -3.856 -21.851 1.00 30.01 C ATOM 1299 NZ LYS A 85 22.058 -3.807 -22.420 1.00 0.02 N1+ ATOM 0 H LYS A 85 15.993 -3.359 -19.339 1.00 13.23 H new ATOM 0 HA LYS A 85 18.472 -4.497 -20.090 1.00 53.44 H new ATOM 0 HB2 LYS A 85 16.994 -2.032 -20.413 1.00 25.42 H new ATOM 0 HB3 LYS A 85 18.641 -1.647 -19.954 1.00 25.42 H new ATOM 0 HG2 LYS A 85 18.174 -3.670 -22.134 1.00 52.24 H new ATOM 0 HG3 LYS A 85 17.968 -1.967 -22.495 1.00 52.24 H new ATOM 0 HD2 LYS A 85 20.207 -2.060 -22.927 1.00 12.13 H new ATOM 0 HD3 LYS A 85 20.345 -1.839 -21.194 1.00 12.13 H new ATOM 0 HE2 LYS A 85 20.734 -4.152 -20.803 1.00 30.01 H new ATOM 0 HE3 LYS A 85 20.102 -4.619 -22.370 1.00 30.01 H new ATOM 0 HZ1 LYS A 85 22.507 -4.740 -22.323 1.00 0.02 H new ATOM 0 HZ2 LYS A 85 22.008 -3.550 -23.426 1.00 0.02 H new ATOM 0 HZ3 LYS A 85 22.620 -3.097 -21.909 1.00 0.02 H new ATOM 1313 N GLN A 86 18.454 -2.650 -17.349 1.00 11.43 N ATOM 1314 CA GLN A 86 19.214 -2.335 -16.144 1.00 53.23 C ATOM 1315 C GLN A 86 19.640 -3.609 -15.422 1.00 21.22 C ATOM 1316 O GLN A 86 20.625 -3.616 -14.685 1.00 41.42 O ATOM 1317 CB GLN A 86 18.383 -1.457 -15.207 1.00 12.42 C ATOM 1318 CG GLN A 86 17.903 -0.166 -15.850 1.00 73.05 C ATOM 1319 CD GLN A 86 17.824 0.983 -14.864 1.00 42.21 C ATOM 1320 OE1 GLN A 86 18.767 1.763 -14.724 1.00 72.11 O ATOM 1321 NE2 GLN A 86 16.695 1.094 -14.173 1.00 61.43 N ATOM 0 H GLN A 86 17.523 -2.235 -17.381 1.00 11.43 H new ATOM 0 HA GLN A 86 20.110 -1.790 -16.441 1.00 53.23 H new ATOM 0 HB2 GLN A 86 17.519 -2.025 -14.862 1.00 12.42 H new ATOM 0 HB3 GLN A 86 18.978 -1.215 -14.326 1.00 12.42 H new ATOM 0 HG2 GLN A 86 18.578 0.103 -16.663 1.00 73.05 H new ATOM 0 HG3 GLN A 86 16.920 -0.328 -16.292 1.00 73.05 H new ATOM 0 HE21 GLN A 86 15.939 0.426 -14.321 1.00 61.43 H new ATOM 0 HE22 GLN A 86 16.584 1.848 -13.495 1.00 61.43 H new ATOM 1330 N GLY A 87 18.890 -4.686 -15.638 1.00 0.43 N ATOM 1331 CA GLY A 87 19.207 -5.950 -15.000 1.00 2.32 C ATOM 1332 C GLY A 87 18.527 -6.106 -13.654 1.00 44.42 C ATOM 1333 O GLY A 87 19.072 -6.729 -12.743 1.00 32.22 O ATOM 0 H GLY A 87 18.069 -4.705 -16.243 1.00 0.43 H new ATOM 0 HA2 GLY A 87 18.906 -6.769 -15.653 1.00 2.32 H new ATOM 0 HA3 GLY A 87 20.286 -6.027 -14.870 1.00 2.32 H new ATOM 1337 N LYS A 88 17.332 -5.538 -13.527 1.00 21.33 N ATOM 1338 CA LYS A 88 16.576 -5.616 -12.283 1.00 11.34 C ATOM 1339 C LYS A 88 15.931 -6.989 -12.124 1.00 1.12 C ATOM 1340 O LYS A 88 15.802 -7.499 -11.010 1.00 61.44 O ATOM 1341 CB LYS A 88 15.500 -4.528 -12.247 1.00 75.34 C ATOM 1342 CG LYS A 88 16.044 -3.127 -12.472 1.00 24.51 C ATOM 1343 CD LYS A 88 16.567 -2.518 -11.182 1.00 73.13 C ATOM 1344 CE LYS A 88 18.036 -2.140 -11.299 1.00 11.13 C ATOM 1345 NZ LYS A 88 18.534 -1.461 -10.071 1.00 30.44 N1+ ATOM 0 H LYS A 88 16.866 -5.018 -14.271 1.00 21.33 H new ATOM 0 HA LYS A 88 17.268 -5.461 -11.456 1.00 11.34 H new ATOM 0 HB2 LYS A 88 14.751 -4.744 -13.008 1.00 75.34 H new ATOM 0 HB3 LYS A 88 14.993 -4.561 -11.283 1.00 75.34 H new ATOM 0 HG2 LYS A 88 16.845 -3.161 -13.210 1.00 24.51 H new ATOM 0 HG3 LYS A 88 15.259 -2.492 -12.883 1.00 24.51 H new ATOM 0 HD2 LYS A 88 15.981 -1.633 -10.933 1.00 73.13 H new ATOM 0 HD3 LYS A 88 16.437 -3.227 -10.365 1.00 73.13 H new ATOM 0 HE2 LYS A 88 18.628 -3.036 -11.484 1.00 11.13 H new ATOM 0 HE3 LYS A 88 18.175 -1.484 -12.158 1.00 11.13 H new ATOM 0 HZ1 LYS A 88 19.539 -1.220 -10.191 1.00 30.44 H new ATOM 0 HZ2 LYS A 88 17.986 -0.592 -9.908 1.00 30.44 H new ATOM 0 HZ3 LYS A 88 18.426 -2.096 -9.255 1.00 30.44 H new ATOM 1359 N ILE A 89 15.528 -7.581 -13.243 1.00 4.34 N ATOM 1360 CA ILE A 89 14.899 -8.896 -13.226 1.00 61.10 C ATOM 1361 C ILE A 89 15.849 -9.967 -13.751 1.00 40.34 C ATOM 1362 O ILE A 89 16.401 -9.839 -14.843 1.00 73.31 O ATOM 1363 CB ILE A 89 13.609 -8.913 -14.068 1.00 34.53 C ATOM 1364 CG1 ILE A 89 12.761 -7.676 -13.767 1.00 63.53 C ATOM 1365 CG2 ILE A 89 12.817 -10.183 -13.796 1.00 22.12 C ATOM 1366 CD1 ILE A 89 11.616 -7.478 -14.735 1.00 63.11 C ATOM 0 H ILE A 89 15.626 -7.171 -14.172 1.00 4.34 H new ATOM 0 HA ILE A 89 14.649 -9.113 -12.187 1.00 61.10 H new ATOM 0 HB ILE A 89 13.881 -8.896 -15.123 1.00 34.53 H new ATOM 0 HG12 ILE A 89 12.362 -7.757 -12.756 1.00 63.53 H new ATOM 0 HG13 ILE A 89 13.400 -6.793 -13.788 1.00 63.53 H new ATOM 0 HG21 ILE A 89 11.908 -10.181 -14.398 1.00 22.12 H new ATOM 0 HG22 ILE A 89 13.422 -11.052 -14.055 1.00 22.12 H new ATOM 0 HG23 ILE A 89 12.552 -10.228 -12.740 1.00 22.12 H new ATOM 0 HD11 ILE A 89 11.058 -6.583 -14.461 1.00 63.11 H new ATOM 0 HD12 ILE A 89 12.009 -7.365 -15.745 1.00 63.11 H new ATOM 0 HD13 ILE A 89 10.954 -8.343 -14.698 1.00 63.11 H new ATOM 1378 N GLU A 90 16.033 -11.024 -12.966 1.00 44.31 N ATOM 1379 CA GLU A 90 16.916 -12.118 -13.353 1.00 3.44 C ATOM 1380 C GLU A 90 16.139 -13.215 -14.074 1.00 63.21 C ATOM 1381 O GLU A 90 14.957 -13.434 -13.806 1.00 12.42 O ATOM 1382 CB GLU A 90 17.615 -12.698 -12.121 1.00 21.54 C ATOM 1383 CG GLU A 90 19.110 -12.427 -12.086 1.00 21.32 C ATOM 1384 CD GLU A 90 19.932 -13.700 -12.011 1.00 53.14 C ATOM 1385 OE1 GLU A 90 20.988 -13.685 -11.344 1.00 2.24 O ATOM 1386 OE2 GLU A 90 19.520 -14.709 -12.619 1.00 73.11 O1- ATOM 0 H GLU A 90 15.583 -11.146 -12.059 1.00 44.31 H new ATOM 0 HA GLU A 90 17.668 -11.721 -14.035 1.00 3.44 H new ATOM 0 HB2 GLU A 90 17.157 -12.281 -11.224 1.00 21.54 H new ATOM 0 HB3 GLU A 90 17.449 -13.775 -12.092 1.00 21.54 H new ATOM 0 HG2 GLU A 90 19.395 -11.867 -12.977 1.00 21.32 H new ATOM 0 HG3 GLU A 90 19.342 -11.798 -11.226 1.00 21.32 H new ATOM 1393 N LEU A 91 16.811 -13.901 -14.992 1.00 41.35 N ATOM 1394 CA LEU A 91 16.185 -14.976 -15.754 1.00 12.31 C ATOM 1395 C LEU A 91 16.789 -16.328 -15.386 1.00 71.23 C ATOM 1396 O LEU A 91 17.998 -16.530 -15.500 1.00 24.34 O ATOM 1397 CB LEU A 91 16.345 -14.725 -17.254 1.00 34.35 C ATOM 1398 CG LEU A 91 15.917 -13.344 -17.752 1.00 43.14 C ATOM 1399 CD1 LEU A 91 16.209 -13.198 -19.238 1.00 21.14 C ATOM 1400 CD2 LEU A 91 14.440 -13.110 -17.472 1.00 15.23 C ATOM 0 H LEU A 91 17.789 -13.732 -15.227 1.00 41.35 H new ATOM 0 HA LEU A 91 15.124 -14.993 -15.506 1.00 12.31 H new ATOM 0 HB2 LEU A 91 17.392 -14.876 -17.518 1.00 34.35 H new ATOM 0 HB3 LEU A 91 15.769 -15.478 -17.792 1.00 34.35 H new ATOM 0 HG LEU A 91 16.492 -12.591 -17.214 1.00 43.14 H new ATOM 0 HD11 LEU A 91 15.898 -12.209 -19.575 1.00 21.14 H new ATOM 0 HD12 LEU A 91 17.278 -13.321 -19.413 1.00 21.14 H new ATOM 0 HD13 LEU A 91 15.661 -13.959 -19.793 1.00 21.14 H new ATOM 0 HD21 LEU A 91 14.153 -12.122 -17.833 1.00 15.23 H new ATOM 0 HD22 LEU A 91 13.848 -13.869 -17.983 1.00 15.23 H new ATOM 0 HD23 LEU A 91 14.259 -13.171 -16.399 1.00 15.23 H new ATOM 1412 N SER A 92 15.939 -17.250 -14.947 1.00 62.30 N ATOM 1413 CA SER A 92 16.388 -18.583 -14.561 1.00 12.01 C ATOM 1414 C SER A 92 15.448 -19.653 -15.107 1.00 53.43 C ATOM 1415 O SER A 92 14.304 -19.771 -14.670 1.00 42.11 O ATOM 1416 CB SER A 92 16.476 -18.693 -13.038 1.00 32.04 C ATOM 1417 OG SER A 92 16.138 -17.465 -12.417 1.00 24.24 O ATOM 0 H SER A 92 14.935 -17.099 -14.850 1.00 62.30 H new ATOM 0 HA SER A 92 17.378 -18.744 -14.987 1.00 12.01 H new ATOM 0 HB2 SER A 92 15.805 -19.478 -12.688 1.00 32.04 H new ATOM 0 HB3 SER A 92 17.486 -18.984 -12.749 1.00 32.04 H new ATOM 0 HG SER A 92 15.213 -17.229 -12.640 1.00 24.24 H new ATOM 1423 N GLY A 93 15.940 -20.431 -16.066 1.00 72.14 N ATOM 1424 CA GLY A 93 15.131 -21.482 -16.657 1.00 41.14 C ATOM 1425 C GLY A 93 14.820 -21.222 -18.117 1.00 52.41 C ATOM 1426 O GLY A 93 15.564 -21.645 -19.002 1.00 72.03 O ATOM 0 H GLY A 93 16.884 -20.353 -16.444 1.00 72.14 H new ATOM 0 HA2 GLY A 93 15.653 -22.434 -16.564 1.00 41.14 H new ATOM 0 HA3 GLY A 93 14.198 -21.574 -16.101 1.00 41.14 H new ATOM 1430 N ASP A 94 13.717 -20.527 -18.371 1.00 50.01 N ATOM 1431 CA ASP A 94 13.309 -20.212 -19.735 1.00 42.00 C ATOM 1432 C ASP A 94 12.999 -18.725 -19.880 1.00 61.22 C ATOM 1433 O ASP A 94 11.916 -18.268 -19.514 1.00 24.31 O ATOM 1434 CB ASP A 94 12.085 -21.041 -20.128 1.00 44.20 C ATOM 1435 CG ASP A 94 12.272 -21.756 -21.452 1.00 62.13 C ATOM 1436 OD1 ASP A 94 13.264 -22.501 -21.590 1.00 22.23 O ATOM 1437 OD2 ASP A 94 11.424 -21.570 -22.350 1.00 42.01 O1- ATOM 0 H ASP A 94 13.089 -20.171 -17.650 1.00 50.01 H new ATOM 0 HA ASP A 94 14.135 -20.459 -20.401 1.00 42.00 H new ATOM 0 HB2 ASP A 94 11.881 -21.774 -19.348 1.00 44.20 H new ATOM 0 HB3 ASP A 94 11.213 -20.390 -20.190 1.00 44.20 H new ATOM 1442 N ALA A 95 13.957 -17.975 -20.415 1.00 52.22 N ATOM 1443 CA ALA A 95 13.785 -16.541 -20.609 1.00 61.03 C ATOM 1444 C ALA A 95 12.584 -16.247 -21.501 1.00 63.24 C ATOM 1445 O ALA A 95 12.021 -15.153 -21.459 1.00 24.01 O ATOM 1446 CB ALA A 95 15.048 -15.935 -21.205 1.00 22.22 C ATOM 0 H ALA A 95 14.860 -18.337 -20.722 1.00 52.22 H new ATOM 0 HA ALA A 95 13.600 -16.087 -19.635 1.00 61.03 H new ATOM 0 HB1 ALA A 95 14.906 -14.863 -21.345 1.00 22.22 H new ATOM 0 HB2 ALA A 95 15.887 -16.105 -20.530 1.00 22.22 H new ATOM 0 HB3 ALA A 95 15.257 -16.402 -22.167 1.00 22.22 H new ATOM 1452 N ASP A 96 12.196 -17.229 -22.306 1.00 31.21 N ATOM 1453 CA ASP A 96 11.060 -17.076 -23.208 1.00 63.04 C ATOM 1454 C ASP A 96 9.753 -16.999 -22.426 1.00 71.11 C ATOM 1455 O ASP A 96 8.969 -16.064 -22.598 1.00 42.54 O ATOM 1456 CB ASP A 96 11.008 -18.239 -24.200 1.00 13.52 C ATOM 1457 CG ASP A 96 10.318 -17.865 -25.496 1.00 14.13 C ATOM 1458 OD1 ASP A 96 10.823 -16.964 -26.199 1.00 42.02 O ATOM 1459 OD2 ASP A 96 9.272 -18.472 -25.808 1.00 51.14 O1- ATOM 0 H ASP A 96 12.651 -18.140 -22.353 1.00 31.21 H new ATOM 0 HA ASP A 96 11.188 -16.145 -23.760 1.00 63.04 H new ATOM 0 HB2 ASP A 96 12.023 -18.574 -24.416 1.00 13.52 H new ATOM 0 HB3 ASP A 96 10.485 -19.079 -23.743 1.00 13.52 H new ATOM 1464 N LEU A 97 9.523 -17.987 -21.569 1.00 21.24 N ATOM 1465 CA LEU A 97 8.309 -18.032 -20.761 1.00 53.03 C ATOM 1466 C LEU A 97 8.135 -16.741 -19.968 1.00 34.03 C ATOM 1467 O LEU A 97 7.025 -16.224 -19.840 1.00 22.40 O ATOM 1468 CB LEU A 97 8.351 -19.228 -19.808 1.00 23.04 C ATOM 1469 CG LEU A 97 7.207 -20.233 -19.941 1.00 32.22 C ATOM 1470 CD1 LEU A 97 5.865 -19.543 -19.747 1.00 33.50 C ATOM 1471 CD2 LEU A 97 7.261 -20.927 -21.295 1.00 13.34 C ATOM 0 H LEU A 97 10.161 -18.768 -21.415 1.00 21.24 H new ATOM 0 HA LEU A 97 7.458 -18.141 -21.433 1.00 53.03 H new ATOM 0 HB2 LEU A 97 9.292 -19.757 -19.962 1.00 23.04 H new ATOM 0 HB3 LEU A 97 8.360 -18.852 -18.785 1.00 23.04 H new ATOM 0 HG LEU A 97 7.320 -20.988 -19.163 1.00 32.22 H new ATOM 0 HD11 LEU A 97 5.062 -20.274 -19.845 1.00 33.50 H new ATOM 0 HD12 LEU A 97 5.827 -19.094 -18.755 1.00 33.50 H new ATOM 0 HD13 LEU A 97 5.743 -18.766 -20.502 1.00 33.50 H new ATOM 0 HD21 LEU A 97 6.439 -21.639 -21.372 1.00 13.34 H new ATOM 0 HD22 LEU A 97 7.173 -20.185 -22.088 1.00 13.34 H new ATOM 0 HD23 LEU A 97 8.209 -21.455 -21.396 1.00 13.34 H new ATOM 1483 N ALA A 98 9.239 -16.224 -19.439 1.00 51.02 N ATOM 1484 CA ALA A 98 9.209 -14.991 -18.662 1.00 72.21 C ATOM 1485 C ALA A 98 9.050 -13.775 -19.568 1.00 74.34 C ATOM 1486 O ALA A 98 8.176 -12.937 -19.350 1.00 70.15 O ATOM 1487 CB ALA A 98 10.472 -14.865 -17.822 1.00 43.44 C ATOM 0 H ALA A 98 10.165 -16.640 -19.534 1.00 51.02 H new ATOM 0 HA ALA A 98 8.346 -15.031 -17.997 1.00 72.21 H new ATOM 0 HB1 ALA A 98 10.436 -13.940 -17.247 1.00 43.44 H new ATOM 0 HB2 ALA A 98 10.542 -15.713 -17.141 1.00 43.44 H new ATOM 0 HB3 ALA A 98 11.344 -14.852 -18.476 1.00 43.44 H new ATOM 1493 N ALA A 99 9.902 -13.685 -20.584 1.00 41.25 N ATOM 1494 CA ALA A 99 9.855 -12.572 -21.524 1.00 41.24 C ATOM 1495 C ALA A 99 8.457 -12.408 -22.111 1.00 64.45 C ATOM 1496 O ALA A 99 7.933 -11.296 -22.193 1.00 63.22 O ATOM 1497 CB ALA A 99 10.875 -12.775 -22.634 1.00 14.33 C ATOM 0 H ALA A 99 10.633 -14.370 -20.777 1.00 41.25 H new ATOM 0 HA ALA A 99 10.102 -11.660 -20.981 1.00 41.24 H new ATOM 0 HB1 ALA A 99 10.829 -11.936 -23.329 1.00 14.33 H new ATOM 0 HB2 ALA A 99 11.874 -12.835 -22.203 1.00 14.33 H new ATOM 0 HB3 ALA A 99 10.654 -13.700 -23.167 1.00 14.33 H new ATOM 1503 N LYS A 100 7.858 -13.521 -22.520 1.00 1.23 N ATOM 1504 CA LYS A 100 6.520 -13.501 -23.100 1.00 72.44 C ATOM 1505 C LYS A 100 5.541 -12.774 -22.184 1.00 13.34 C ATOM 1506 O LYS A 100 4.701 -12.000 -22.646 1.00 61.21 O ATOM 1507 CB LYS A 100 6.032 -14.929 -23.355 1.00 31.43 C ATOM 1508 CG LYS A 100 4.978 -15.026 -24.445 1.00 4.53 C ATOM 1509 CD LYS A 100 4.914 -16.425 -25.035 1.00 22.41 C ATOM 1510 CE LYS A 100 3.476 -16.893 -25.202 1.00 35.11 C ATOM 1511 NZ LYS A 100 3.388 -18.372 -25.348 1.00 40.13 N1+ ATOM 0 H LYS A 100 8.278 -14.449 -22.461 1.00 1.23 H new ATOM 0 HA LYS A 100 6.569 -12.965 -24.048 1.00 72.44 H new ATOM 0 HB2 LYS A 100 6.884 -15.552 -23.628 1.00 31.43 H new ATOM 0 HB3 LYS A 100 5.624 -15.335 -22.429 1.00 31.43 H new ATOM 0 HG2 LYS A 100 4.004 -14.758 -24.036 1.00 4.53 H new ATOM 0 HG3 LYS A 100 5.201 -14.307 -25.234 1.00 4.53 H new ATOM 0 HD2 LYS A 100 5.416 -16.437 -26.002 1.00 22.41 H new ATOM 0 HD3 LYS A 100 5.451 -17.119 -24.388 1.00 22.41 H new ATOM 0 HE2 LYS A 100 2.889 -16.578 -24.339 1.00 35.11 H new ATOM 0 HE3 LYS A 100 3.038 -16.415 -26.078 1.00 35.11 H new ATOM 0 HZ1 LYS A 100 2.392 -18.651 -25.459 1.00 40.13 H new ATOM 0 HZ2 LYS A 100 3.927 -18.671 -26.186 1.00 40.13 H new ATOM 0 HZ3 LYS A 100 3.783 -18.829 -24.501 1.00 40.13 H new ATOM 1525 N LEU A 101 5.655 -13.026 -20.885 1.00 12.30 N ATOM 1526 CA LEU A 101 4.780 -12.393 -19.903 1.00 3.23 C ATOM 1527 C LEU A 101 4.972 -10.880 -19.898 1.00 62.45 C ATOM 1528 O LEU A 101 4.007 -10.121 -19.981 1.00 14.21 O ATOM 1529 CB LEU A 101 5.053 -12.958 -18.508 1.00 62.20 C ATOM 1530 CG LEU A 101 3.984 -13.894 -17.942 1.00 45.40 C ATOM 1531 CD1 LEU A 101 2.749 -13.106 -17.531 1.00 50.44 C ATOM 1532 CD2 LEU A 101 3.621 -14.966 -18.959 1.00 34.24 C ATOM 0 H LEU A 101 6.344 -13.664 -20.487 1.00 12.30 H new ATOM 0 HA LEU A 101 3.748 -12.609 -20.180 1.00 3.23 H new ATOM 0 HB2 LEU A 101 6.001 -13.496 -18.535 1.00 62.20 H new ATOM 0 HB3 LEU A 101 5.179 -12.124 -17.818 1.00 62.20 H new ATOM 0 HG LEU A 101 4.389 -14.384 -17.057 1.00 45.40 H new ATOM 0 HD11 LEU A 101 1.999 -13.788 -17.131 1.00 50.44 H new ATOM 0 HD12 LEU A 101 3.020 -12.376 -16.768 1.00 50.44 H new ATOM 0 HD13 LEU A 101 2.342 -12.588 -18.400 1.00 50.44 H new ATOM 0 HD21 LEU A 101 2.859 -15.623 -18.539 1.00 34.24 H new ATOM 0 HD22 LEU A 101 3.235 -14.494 -19.863 1.00 34.24 H new ATOM 0 HD23 LEU A 101 4.508 -15.550 -19.205 1.00 34.24 H new ATOM 1544 N ALA A 102 6.225 -10.448 -19.801 1.00 31.42 N ATOM 1545 CA ALA A 102 6.544 -9.026 -19.789 1.00 1.32 C ATOM 1546 C ALA A 102 5.858 -8.300 -20.941 1.00 62.44 C ATOM 1547 O ALA A 102 5.524 -7.121 -20.832 1.00 20.35 O ATOM 1548 CB ALA A 102 8.051 -8.822 -19.856 1.00 64.24 C ATOM 0 H ALA A 102 7.036 -11.063 -19.730 1.00 31.42 H new ATOM 0 HA ALA A 102 6.173 -8.603 -18.855 1.00 1.32 H new ATOM 0 HB1 ALA A 102 8.275 -7.755 -19.846 1.00 64.24 H new ATOM 0 HB2 ALA A 102 8.521 -9.299 -18.996 1.00 64.24 H new ATOM 0 HB3 ALA A 102 8.438 -9.265 -20.774 1.00 64.24 H new ATOM 1554 N GLU A 103 5.653 -9.012 -22.045 1.00 45.13 N ATOM 1555 CA GLU A 103 5.008 -8.433 -23.217 1.00 0.13 C ATOM 1556 C GLU A 103 3.664 -7.811 -22.848 1.00 54.13 C ATOM 1557 O GLU A 103 3.295 -6.754 -23.360 1.00 43.44 O ATOM 1558 CB GLU A 103 4.809 -9.500 -24.296 1.00 65.34 C ATOM 1559 CG GLU A 103 4.699 -8.931 -25.701 1.00 71.40 C ATOM 1560 CD GLU A 103 4.479 -10.005 -26.749 1.00 43.23 C ATOM 1561 OE1 GLU A 103 5.202 -9.995 -27.768 1.00 35.33 O ATOM 1562 OE2 GLU A 103 3.586 -10.854 -26.551 1.00 44.42 O1- ATOM 0 H GLU A 103 5.924 -9.990 -22.152 1.00 45.13 H new ATOM 0 HA GLU A 103 5.657 -7.648 -23.606 1.00 0.13 H new ATOM 0 HB2 GLU A 103 5.643 -10.200 -24.261 1.00 65.34 H new ATOM 0 HB3 GLU A 103 3.906 -10.068 -24.071 1.00 65.34 H new ATOM 0 HG2 GLU A 103 3.875 -8.219 -25.737 1.00 71.40 H new ATOM 0 HG3 GLU A 103 5.608 -8.378 -25.938 1.00 71.40 H new ATOM 1569 N VAL A 104 2.936 -8.475 -21.956 1.00 33.41 N ATOM 1570 CA VAL A 104 1.634 -7.989 -21.517 1.00 23.33 C ATOM 1571 C VAL A 104 1.782 -6.848 -20.516 1.00 20.50 C ATOM 1572 O VAL A 104 0.854 -6.066 -20.309 1.00 4.15 O ATOM 1573 CB VAL A 104 0.801 -9.115 -20.876 1.00 33.51 C ATOM 1574 CG1 VAL A 104 1.220 -9.333 -19.430 1.00 74.10 C ATOM 1575 CG2 VAL A 104 -0.684 -8.796 -20.967 1.00 43.11 C ATOM 0 H VAL A 104 3.226 -9.352 -21.523 1.00 33.41 H new ATOM 0 HA VAL A 104 1.117 -7.625 -22.405 1.00 23.33 H new ATOM 0 HB VAL A 104 0.986 -10.038 -21.425 1.00 33.51 H new ATOM 0 HG11 VAL A 104 0.620 -10.132 -18.994 1.00 74.10 H new ATOM 0 HG12 VAL A 104 2.274 -9.609 -19.394 1.00 74.10 H new ATOM 0 HG13 VAL A 104 1.066 -8.414 -18.864 1.00 74.10 H new ATOM 0 HG21 VAL A 104 -1.258 -9.602 -20.509 1.00 43.11 H new ATOM 0 HG22 VAL A 104 -0.888 -7.862 -20.443 1.00 43.11 H new ATOM 0 HG23 VAL A 104 -0.971 -8.695 -22.014 1.00 43.11 H new ATOM 1585 N ILE A 105 2.955 -6.760 -19.898 1.00 64.50 N ATOM 1586 CA ILE A 105 3.226 -5.714 -18.920 1.00 64.45 C ATOM 1587 C ILE A 105 3.626 -4.411 -19.604 1.00 25.40 C ATOM 1588 O ILE A 105 3.121 -3.340 -19.267 1.00 74.01 O ATOM 1589 CB ILE A 105 4.341 -6.131 -17.943 1.00 25.25 C ATOM 1590 CG1 ILE A 105 4.110 -7.561 -17.451 1.00 71.41 C ATOM 1591 CG2 ILE A 105 4.406 -5.165 -16.769 1.00 10.31 C ATOM 1592 CD1 ILE A 105 5.194 -8.064 -16.524 1.00 20.20 C ATOM 0 H ILE A 105 3.733 -7.400 -20.057 1.00 64.50 H new ATOM 0 HA ILE A 105 2.303 -5.559 -18.361 1.00 64.45 H new ATOM 0 HB ILE A 105 5.295 -6.098 -18.469 1.00 25.25 H new ATOM 0 HG12 ILE A 105 3.151 -7.608 -16.935 1.00 71.41 H new ATOM 0 HG13 ILE A 105 4.042 -8.226 -18.312 1.00 71.41 H new ATOM 0 HG21 ILE A 105 5.199 -5.473 -16.088 1.00 10.31 H new ATOM 0 HG22 ILE A 105 4.613 -4.160 -17.136 1.00 10.31 H new ATOM 0 HG23 ILE A 105 3.452 -5.169 -16.241 1.00 10.31 H new ATOM 0 HD11 ILE A 105 4.964 -9.084 -16.215 1.00 20.20 H new ATOM 0 HD12 ILE A 105 6.152 -8.049 -17.043 1.00 20.20 H new ATOM 0 HD13 ILE A 105 5.248 -7.422 -15.645 1.00 20.20 H new ATOM 1604 N HIS A 106 4.535 -4.511 -20.569 1.00 4.44 N ATOM 1605 CA HIS A 106 5.001 -3.340 -21.303 1.00 52.41 C ATOM 1606 C HIS A 106 3.884 -2.758 -22.163 1.00 72.24 C ATOM 1607 O HIS A 106 3.707 -3.148 -23.318 1.00 4.11 O ATOM 1608 CB HIS A 106 6.198 -3.706 -22.181 1.00 33.32 C ATOM 1609 CG HIS A 106 6.854 -2.523 -22.824 1.00 62.22 C ATOM 1610 ND1 HIS A 106 7.371 -2.552 -24.102 1.00 53.42 N ATOM 1611 CD2 HIS A 106 7.073 -1.271 -22.359 1.00 33.43 C ATOM 1612 CE1 HIS A 106 7.882 -1.369 -24.394 1.00 21.21 C ATOM 1613 NE2 HIS A 106 7.714 -0.574 -23.353 1.00 23.34 N ATOM 0 H HIS A 106 4.963 -5.390 -20.860 1.00 4.44 H new ATOM 0 HA HIS A 106 5.308 -2.586 -20.578 1.00 52.41 H new ATOM 0 HB2 HIS A 106 6.934 -4.234 -21.575 1.00 33.32 H new ATOM 0 HB3 HIS A 106 5.870 -4.396 -22.958 1.00 33.32 H new ATOM 0 HD2 HIS A 106 6.795 -0.891 -21.387 1.00 33.43 H new ATOM 0 HE1 HIS A 106 8.356 -1.098 -25.326 1.00 21.21 H new ATOM 0 HE2 HIS A 106 8.012 0.400 -23.297 1.00 23.34 H new ATOM 1621 N HIS A 107 3.131 -1.822 -21.593 1.00 10.53 N ATOM 1622 CA HIS A 107 2.030 -1.186 -22.308 1.00 31.12 C ATOM 1623 C HIS A 107 1.739 0.198 -21.737 1.00 63.22 C ATOM 1624 O HIS A 107 2.502 0.718 -20.921 1.00 44.22 O ATOM 1625 CB HIS A 107 0.775 -2.056 -22.233 1.00 2.41 C ATOM 1626 CG HIS A 107 0.132 -2.063 -20.880 1.00 35.31 C ATOM 1627 ND1 HIS A 107 0.648 -1.817 -19.653 1.00 74.24 N flip ATOM 1628 CD2 HIS A 107 -1.202 -2.352 -20.682 1.00 40.51 C flip ATOM 1629 CE1 HIS A 107 -0.373 -1.959 -18.746 1.00 60.13 C flip ATOM 1630 NE2 HIS A 107 -1.479 -2.282 -19.392 1.00 32.02 N flip ATOM 0 H HIS A 107 3.263 -1.487 -20.639 1.00 10.53 H new ATOM 0 HA HIS A 107 2.323 -1.074 -23.352 1.00 31.12 H new ATOM 0 HB2 HIS A 107 0.052 -1.701 -22.968 1.00 2.41 H new ATOM 0 HB3 HIS A 107 1.034 -3.078 -22.508 1.00 2.41 H new ATOM 0 HD1 HIS A 107 1.615 -1.572 -19.442 1.00 74.24 H new ATOM 0 HD2 HIS A 107 -1.910 -2.597 -21.460 1.00 40.51 H new ATOM 0 HE1 HIS A 107 -0.286 -1.828 -17.678 1.00 60.13 H new ATOM 1638 N HIS A 108 0.631 0.792 -22.170 1.00 45.32 N ATOM 1639 CA HIS A 108 0.240 2.116 -21.702 1.00 4.03 C ATOM 1640 C HIS A 108 0.041 2.121 -20.189 1.00 72.22 C ATOM 1641 O HIS A 108 -0.324 1.104 -19.598 1.00 3.23 O ATOM 1642 CB HIS A 108 -1.044 2.568 -22.398 1.00 41.24 C ATOM 1643 CG HIS A 108 -2.153 1.564 -22.319 1.00 54.24 C ATOM 1644 ND1 HIS A 108 -2.413 0.650 -23.318 1.00 72.21 N ATOM 1645 CD2 HIS A 108 -3.071 1.333 -21.351 1.00 62.05 C ATOM 1646 CE1 HIS A 108 -3.444 -0.099 -22.969 1.00 12.10 C ATOM 1647 NE2 HIS A 108 -3.861 0.295 -21.780 1.00 53.45 N ATOM 0 H HIS A 108 -0.012 0.377 -22.844 1.00 45.32 H new ATOM 0 HA HIS A 108 1.042 2.812 -21.948 1.00 4.03 H new ATOM 0 HB2 HIS A 108 -1.380 3.504 -21.951 1.00 41.24 H new ATOM 0 HB3 HIS A 108 -0.826 2.775 -23.446 1.00 41.24 H new ATOM 0 HD2 HIS A 108 -3.164 1.866 -20.416 1.00 62.05 H new ATOM 0 HE1 HIS A 108 -3.873 -0.898 -23.556 1.00 12.10 H new ATOM 0 HE2 HIS A 108 -4.643 -0.107 -21.264 1.00 53.45 H new ATOM 1655 N HIS A 109 0.283 3.271 -19.568 1.00 52.35 N ATOM 1656 CA HIS A 109 0.130 3.407 -18.124 1.00 11.14 C ATOM 1657 C HIS A 109 -1.341 3.343 -17.725 1.00 61.53 C ATOM 1658 O HIS A 109 -2.212 3.109 -18.563 1.00 23.40 O ATOM 1659 CB HIS A 109 0.744 4.724 -17.647 1.00 3.42 C ATOM 1660 CG HIS A 109 0.062 5.937 -18.201 1.00 63.42 C ATOM 1661 ND1 HIS A 109 -0.849 6.683 -17.483 1.00 45.04 N ATOM 1662 CD2 HIS A 109 0.164 6.535 -19.412 1.00 32.11 C ATOM 1663 CE1 HIS A 109 -1.279 7.686 -18.228 1.00 34.32 C ATOM 1664 NE2 HIS A 109 -0.679 7.619 -19.403 1.00 11.45 N ATOM 0 H HIS A 109 0.586 4.122 -20.042 1.00 52.35 H new ATOM 0 HA HIS A 109 0.653 2.578 -17.648 1.00 11.14 H new ATOM 0 HB2 HIS A 109 0.705 4.761 -16.558 1.00 3.42 H new ATOM 0 HB3 HIS A 109 1.797 4.748 -17.929 1.00 3.42 H new ATOM 0 HD2 HIS A 109 0.791 6.218 -20.232 1.00 32.11 H new ATOM 0 HE1 HIS A 109 -1.998 8.433 -17.927 1.00 34.32 H new ATOM 0 HE2 HIS A 109 -0.819 8.267 -20.178 1.00 11.45 H new ATOM 1672 N HIS A 110 -1.610 3.552 -16.440 1.00 63.25 N ATOM 1673 CA HIS A 110 -2.976 3.518 -15.930 1.00 60.44 C ATOM 1674 C HIS A 110 -3.590 2.133 -16.113 1.00 41.24 C ATOM 1675 O HIS A 110 -4.526 1.957 -16.893 1.00 3.33 O ATOM 1676 CB HIS A 110 -3.834 4.567 -16.638 1.00 25.35 C ATOM 1677 CG HIS A 110 -5.074 4.935 -15.883 1.00 31.33 C ATOM 1678 ND1 HIS A 110 -6.090 5.691 -16.428 1.00 3.51 N ATOM 1679 CD2 HIS A 110 -5.460 4.645 -14.619 1.00 15.11 C ATOM 1680 CE1 HIS A 110 -7.047 5.851 -15.531 1.00 32.02 C ATOM 1681 NE2 HIS A 110 -6.689 5.226 -14.424 1.00 44.22 N ATOM 0 H HIS A 110 -0.901 3.747 -15.733 1.00 63.25 H new ATOM 0 HA HIS A 110 -2.945 3.745 -14.864 1.00 60.44 H new ATOM 0 HB2 HIS A 110 -3.237 5.464 -16.799 1.00 25.35 H new ATOM 0 HB3 HIS A 110 -4.115 4.191 -17.621 1.00 25.35 H new ATOM 0 HD2 HIS A 110 -4.905 4.064 -13.897 1.00 15.11 H new ATOM 0 HE1 HIS A 110 -7.966 6.400 -15.678 1.00 32.02 H new ATOM 0 HE2 HIS A 110 -7.236 5.182 -13.564 1.00 44.22 H new ATOM 1689 N HIS A 111 -3.056 1.154 -15.390 1.00 71.21 N ATOM 1690 CA HIS A 111 -3.551 -0.216 -15.474 1.00 52.02 C ATOM 1691 C HIS A 111 -2.815 -1.121 -14.490 1.00 34.54 C ATOM 1692 O HIS A 111 -3.378 -2.127 -14.062 1.00 65.33 O ATOM 1693 CB HIS A 111 -3.391 -0.752 -16.897 1.00 34.45 C ATOM 1694 CG HIS A 111 -4.531 -1.615 -17.343 1.00 61.54 C ATOM 1695 ND1 HIS A 111 -4.916 -1.731 -18.662 1.00 13.21 N ATOM 1696 CD2 HIS A 111 -5.371 -2.408 -16.637 1.00 3.44 C ATOM 1697 CE1 HIS A 111 -5.944 -2.556 -18.748 1.00 13.33 C ATOM 1698 NE2 HIS A 111 -6.239 -2.982 -17.533 1.00 25.24 N ATOM 0 H HIS A 111 -2.281 1.283 -14.740 1.00 71.21 H new ATOM 0 HA HIS A 111 -4.609 -0.211 -15.213 1.00 52.02 H new ATOM 0 HB2 HIS A 111 -3.292 0.088 -17.584 1.00 34.45 H new ATOM 0 HB3 HIS A 111 -2.466 -1.325 -16.959 1.00 34.45 H new ATOM 0 HD2 HIS A 111 -5.360 -2.561 -15.568 1.00 3.44 H new ATOM 0 HE1 HIS A 111 -6.456 -2.835 -19.657 1.00 13.33 H new ATOM 0 HE2 HIS A 111 -6.990 -3.632 -17.298 1.00 25.24 H new TER 1706 HIS A 111 HETATM 1707 C1 PLM A 201 -1.277 -16.429 -19.485 1.00 11.25 C HETATM 1708 O1 PLM A 201 -0.109 -16.289 -18.796 1.00 30.44 O HETATM 1709 O2 PLM A 201 -2.168 -17.201 -19.149 1.00 43.03 O HETATM 1710 C2 PLM A 201 -1.359 -15.517 -20.739 1.00 21.42 C HETATM 1711 C3 PLM A 201 -1.510 -14.017 -20.301 1.00 43.24 C HETATM 1712 C4 PLM A 201 -0.278 -13.421 -19.582 1.00 40.30 C HETATM 1713 C5 PLM A 201 -0.665 -12.633 -18.317 1.00 45.00 C HETATM 1714 C6 PLM A 201 -1.163 -13.556 -17.188 1.00 34.21 C HETATM 1715 C7 PLM A 201 -0.437 -13.291 -15.855 1.00 23.23 C HETATM 1716 C8 PLM A 201 -0.819 -11.929 -15.245 1.00 50.35 C HETATM 1717 C9 PLM A 201 0.400 -11.186 -14.662 1.00 13.45 C HETATM 1718 CA PLM A 201 1.390 -12.090 -13.898 1.00 44.10 C HETATM 1719 CB PLM A 201 2.392 -11.222 -13.115 1.00 71.52 C HETATM 1720 CC PLM A 201 3.781 -12.125 -12.986 1.00 61.21 C HETATM 1721 CD PLM A 201 4.438 -11.931 -11.606 1.00 62.02 C HETATM 1722 CE PLM A 201 5.946 -11.638 -11.713 1.00 10.40 C HETATM 1723 CF PLM A 201 6.670 -12.645 -12.626 1.00 25.23 C HETATM 1724 CG PLM A 201 7.122 -13.891 -11.854 1.00 45.31 C HETATM 0 HG3 PLM A 201 7.806 -13.597 -11.058 1.00 45.31 H new HETATM 0 HG2 PLM A 201 6.253 -14.386 -11.421 1.00 45.31 H new HETATM 0 HG1 PLM A 201 7.628 -14.576 -12.534 1.00 45.31 H new HETATM 0 HF2 PLM A 201 6.006 -12.942 -13.438 1.00 25.23 H new HETATM 0 HF1 PLM A 201 7.536 -12.165 -13.081 1.00 25.23 H new HETATM 0 HE2 PLM A 201 6.092 -10.629 -12.099 1.00 10.40 H new HETATM 0 HE1 PLM A 201 6.391 -11.666 -10.719 1.00 10.40 H new HETATM 0 HD2 PLM A 201 3.947 -11.110 -11.084 1.00 62.02 H new HETATM 0 HD1 PLM A 201 4.286 -12.827 -11.004 1.00 62.02 H new HETATM 0 HC2 PLM A 201 3.549 -13.179 -13.138 1.00 61.21 H new HETATM 0 HC1 PLM A 201 4.481 -11.836 -13.770 1.00 61.21 H new HETATM 0 HB2 PLM A 201 2.584 -10.283 -13.635 1.00 71.52 H new HETATM 0 HB1 PLM A 201 2.000 -10.967 -12.130 1.00 71.52 H new HETATM 0 HA2 PLM A 201 0.847 -12.742 -13.214 1.00 44.10 H new HETATM 0 HA1 PLM A 201 1.922 -12.735 -14.598 1.00 44.10 H new HETATM 0 H92 PLM A 201 0.931 -10.691 -15.475 1.00 13.45 H new HETATM 0 H91 PLM A 201 0.047 -10.404 -13.989 1.00 13.45 H new HETATM 0 H82 PLM A 201 -1.288 -11.310 -16.010 1.00 50.35 H new HETATM 0 H81 PLM A 201 -1.559 -12.080 -14.459 1.00 50.35 H new HETATM 0 H72 PLM A 201 -0.678 -14.084 -15.148 1.00 23.23 H new HETATM 0 H71 PLM A 201 0.640 -13.325 -16.017 1.00 23.23 H new HETATM 0 H62 PLM A 201 -2.235 -13.413 -17.050 1.00 34.21 H new HETATM 0 H61 PLM A 201 -1.015 -14.596 -17.480 1.00 34.21 H new HETATM 0 H52 PLM A 201 0.197 -12.065 -17.967 1.00 45.00 H new HETATM 0 H51 PLM A 201 -1.443 -11.911 -18.564 1.00 45.00 H new HETATM 0 H42 PLM A 201 0.406 -14.225 -19.311 1.00 40.30 H new HETATM 0 H41 PLM A 201 0.257 -12.764 -20.267 1.00 40.30 H new HETATM 0 H32 PLM A 201 -1.723 -13.415 -21.185 1.00 43.24 H new HETATM 0 H31 PLM A 201 -2.374 -13.932 -19.642 1.00 43.24 H new HETATM 0 H22 PLM A 201 -0.463 -15.639 -21.347 1.00 21.42 H new HETATM 0 H21 PLM A 201 -2.206 -15.811 -21.358 1.00 21.42 H new HETATM 0 H PLM A 201 0.647 -16.359 -19.416 1.00 30.44 H new HETATM 1757 C1 PLM A 202 1.347 -6.394 -14.275 1.00 15.44 C HETATM 1758 O1 PLM A 202 0.756 -5.235 -14.680 1.00 73.20 O HETATM 1759 O2 PLM A 202 2.194 -6.985 -14.938 1.00 74.42 O HETATM 1760 C2 PLM A 202 0.835 -6.893 -12.898 1.00 5.04 C HETATM 1761 C3 PLM A 202 1.352 -5.944 -11.759 1.00 32.23 C HETATM 1762 C4 PLM A 202 2.579 -6.468 -10.980 1.00 44.01 C HETATM 1763 C5 PLM A 202 3.731 -6.881 -11.915 1.00 2.30 C HETATM 1764 C6 PLM A 202 5.050 -6.170 -11.560 1.00 64.43 C HETATM 1765 C7 PLM A 202 6.224 -6.646 -12.438 1.00 32.51 C HETATM 1766 C8 PLM A 202 6.359 -8.180 -12.447 1.00 51.45 C HETATM 1767 C9 PLM A 202 7.824 -8.640 -12.301 1.00 51.43 C HETATM 1768 CA PLM A 202 8.785 -8.042 -13.348 1.00 44.42 C HETATM 1769 CB PLM A 202 8.149 -8.125 -14.749 1.00 34.24 C HETATM 1770 CC PLM A 202 8.300 -9.709 -15.229 1.00 0.42 C HETATM 1771 CD PLM A 202 8.766 -9.797 -16.695 1.00 12.51 C HETATM 1772 CE PLM A 202 9.463 -11.136 -17.005 1.00 22.43 C HETATM 1773 CF PLM A 202 10.469 -11.012 -18.164 1.00 30.40 C HETATM 1774 CG PLM A 202 11.862 -11.514 -17.766 1.00 53.12 C HETATM 0 HG3 PLM A 202 12.234 -10.927 -16.926 1.00 53.12 H new HETATM 0 HG2 PLM A 202 11.802 -12.563 -17.477 1.00 53.12 H new HETATM 0 HG1 PLM A 202 12.542 -11.409 -18.612 1.00 53.12 H new HETATM 0 HF2 PLM A 202 10.109 -11.582 -19.021 1.00 30.40 H new HETATM 0 HF1 PLM A 202 10.534 -9.970 -18.479 1.00 30.40 H new HETATM 0 HE2 PLM A 202 9.980 -11.490 -16.113 1.00 22.43 H new HETATM 0 HE1 PLM A 202 8.712 -11.885 -17.256 1.00 22.43 H new HETATM 0 HD2 PLM A 202 7.907 -9.675 -17.355 1.00 12.51 H new HETATM 0 HD1 PLM A 202 9.450 -8.976 -16.907 1.00 12.51 H new HETATM 0 HC2 PLM A 202 9.014 -10.222 -14.585 1.00 0.42 H new HETATM 0 HC1 PLM A 202 7.344 -10.220 -15.116 1.00 0.42 H new HETATM 0 HB2 PLM A 202 7.102 -7.824 -14.720 1.00 34.24 H new HETATM 0 HB1 PLM A 202 8.653 -7.456 -15.447 1.00 34.24 H new HETATM 0 HA2 PLM A 202 9.007 -7.004 -13.100 1.00 44.42 H new HETATM 0 HA1 PLM A 202 9.732 -8.582 -13.336 1.00 44.42 H new HETATM 0 H92 PLM A 202 8.179 -8.373 -11.305 1.00 51.43 H new HETATM 0 H91 PLM A 202 7.860 -9.727 -12.371 1.00 51.43 H new HETATM 0 H82 PLM A 202 5.766 -8.599 -11.634 1.00 51.45 H new HETATM 0 H81 PLM A 202 5.948 -8.573 -13.377 1.00 51.45 H new HETATM 0 H72 PLM A 202 6.080 -6.290 -13.458 1.00 32.51 H new HETATM 0 H71 PLM A 202 7.151 -6.204 -12.073 1.00 32.51 H new HETATM 0 H62 PLM A 202 4.924 -5.094 -11.678 1.00 64.43 H new HETATM 0 H61 PLM A 202 5.287 -6.350 -10.511 1.00 64.43 H new HETATM 0 H52 PLM A 202 3.875 -7.960 -11.857 1.00 2.30 H new HETATM 0 H51 PLM A 202 3.461 -6.650 -12.945 1.00 2.30 H new HETATM 0 H42 PLM A 202 2.929 -5.696 -10.295 1.00 44.01 H new HETATM 0 H41 PLM A 202 2.283 -7.323 -10.372 1.00 44.01 H new HETATM 0 H32 PLM A 202 1.604 -4.978 -12.198 1.00 32.23 H new HETATM 0 H31 PLM A 202 0.539 -5.771 -11.054 1.00 32.23 H new HETATM 0 H22 PLM A 202 -0.255 -6.920 -12.894 1.00 5.04 H new HETATM 0 H21 PLM A 202 1.180 -7.911 -12.719 1.00 5.04 H new HETATM 0 H PLM A 202 0.113 -4.941 -14.001 1.00 73.20 H new