USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 637 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 THR OG1 : rot 33:sc= 0.0521 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0137 K(o=-0.014,f=-1.3!) USER MOD Single : A 10 LYS NZ :NH3+ -159:sc= -0.139 (180deg=-0.587) USER MOD Single : A 14 MET CE :methyl -127:sc= -5.42! (180deg=-11.9!) USER MOD Single : A 18 LYS NZ :NH3+ -159:sc= -0.74 (180deg=-1.52) USER MOD Single : A 20 ASN : amide:sc= -0.0624 K(o=-0.062,f=-1.7) USER MOD Single : A 21 LYS NZ :NH3+ 168:sc= -3.69! (180deg=-4.16!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 75:sc= 0.531 USER MOD Single : A 30 SER OG : rot 180:sc= -0.0805 USER MOD Single : A 37 LYS NZ :NH3+ -117:sc= 0.0344 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.251 USER MOD Single : A 43 THR OG1 : rot 39:sc= 0.191 USER MOD Single : A 47 MET CE :methyl -156:sc= -1.19 (180deg=-2.46!) USER MOD Single : A 48 MET CE :methyl -119:sc= -1.39 (180deg=-4.97!) USER MOD Single : A 54 TYR OH : rot 180:sc= -1.19 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 146:sc= -0.0387 (180deg=-0.493) USER MOD Single : A 67 LYS NZ :NH3+ -128:sc= -0.45 (180deg=-1.38) USER MOD Single : A 68 THR OG1 : rot -179:sc= -1.17 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 121:sc= -0.617 USER MOD Single : A 77 LYS NZ :NH3+ 143:sc= -0.159 (180deg=-0.742) USER MOD Single : A 80 GLN : amide:sc=-0.00509 X(o=-0.0051,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 4 2.420 -4.779 -7.842 1.00 31.13 N ATOM 44 CA THR A 4 1.707 -5.135 -9.062 1.00 32.43 C ATOM 45 C THR A 4 1.639 -3.955 -10.024 1.00 1.23 C ATOM 46 O THR A 4 1.586 -4.135 -11.240 1.00 65.44 O ATOM 47 CB THR A 4 0.276 -5.616 -8.756 1.00 32.41 C ATOM 48 OG1 THR A 4 0.317 -6.772 -7.912 1.00 25.24 O ATOM 49 CG2 THR A 4 -0.470 -5.947 -10.040 1.00 10.20 C ATOM 0 HA THR A 4 2.264 -5.948 -9.528 1.00 32.43 H new ATOM 0 HB THR A 4 -0.252 -4.811 -8.244 1.00 32.41 H new ATOM 0 HG1 THR A 4 1.085 -6.708 -7.307 1.00 25.24 H new ATOM 0 HG21 THR A 4 -1.478 -6.284 -9.799 1.00 10.20 H new ATOM 0 HG22 THR A 4 -0.526 -5.058 -10.668 1.00 10.20 H new ATOM 0 HG23 THR A 4 0.058 -6.736 -10.575 1.00 10.20 H new ATOM 57 N ASP A 5 1.642 -2.747 -9.471 1.00 54.32 N ATOM 58 CA ASP A 5 1.582 -1.535 -10.281 1.00 63.41 C ATOM 59 C ASP A 5 2.712 -1.511 -11.306 1.00 73.32 C ATOM 60 O ASP A 5 2.533 -1.048 -12.433 1.00 33.12 O ATOM 61 CB ASP A 5 1.660 -0.296 -9.389 1.00 10.50 C ATOM 62 CG ASP A 5 1.796 0.985 -10.188 1.00 54.45 C ATOM 63 OD1 ASP A 5 2.912 1.269 -10.671 1.00 25.14 O ATOM 64 OD2 ASP A 5 0.785 1.704 -10.333 1.00 32.01 O ATOM 0 H ASP A 5 1.685 -2.581 -8.466 1.00 54.32 H new ATOM 0 HA ASP A 5 0.631 -1.530 -10.814 1.00 63.41 H new ATOM 0 HB2 ASP A 5 0.765 -0.241 -8.769 1.00 10.50 H new ATOM 0 HB3 ASP A 5 2.510 -0.391 -8.713 1.00 10.50 H new ATOM 69 N LYS A 6 3.876 -2.013 -10.908 1.00 1.50 N ATOM 70 CA LYS A 6 5.036 -2.049 -11.791 1.00 31.41 C ATOM 71 C LYS A 6 4.804 -3.008 -12.954 1.00 72.22 C ATOM 72 O LYS A 6 5.448 -2.900 -13.998 1.00 0.40 O ATOM 73 CB LYS A 6 6.283 -2.470 -11.011 1.00 4.14 C ATOM 74 CG LYS A 6 7.076 -1.300 -10.454 1.00 51.31 C ATOM 75 CD LYS A 6 8.125 -0.817 -11.442 1.00 13.53 C ATOM 76 CE LYS A 6 8.390 0.673 -11.289 1.00 15.50 C ATOM 77 NZ LYS A 6 8.892 1.280 -12.553 1.00 30.11 N ATOM 0 H LYS A 6 4.041 -2.401 -9.979 1.00 1.50 H new ATOM 0 HA LYS A 6 5.187 -1.047 -12.193 1.00 31.41 H new ATOM 0 HB2 LYS A 6 5.985 -3.120 -10.189 1.00 4.14 H new ATOM 0 HB3 LYS A 6 6.928 -3.058 -11.664 1.00 4.14 H new ATOM 0 HG2 LYS A 6 6.398 -0.481 -10.213 1.00 51.31 H new ATOM 0 HG3 LYS A 6 7.560 -1.597 -9.524 1.00 51.31 H new ATOM 0 HD2 LYS A 6 9.052 -1.370 -11.290 1.00 13.53 H new ATOM 0 HD3 LYS A 6 7.792 -1.026 -12.459 1.00 13.53 H new ATOM 0 HE2 LYS A 6 7.472 1.176 -10.984 1.00 15.50 H new ATOM 0 HE3 LYS A 6 9.119 0.832 -10.495 1.00 15.50 H new ATOM 0 HZ1 LYS A 6 9.060 2.296 -12.407 1.00 30.11 H new ATOM 0 HZ2 LYS A 6 9.781 0.818 -12.831 1.00 30.11 H new ATOM 0 HZ3 LYS A 6 8.185 1.151 -13.305 1.00 30.11 H new ATOM 91 N ILE A 7 3.880 -3.945 -12.768 1.00 11.32 N ATOM 92 CA ILE A 7 3.562 -4.920 -13.803 1.00 72.12 C ATOM 93 C ILE A 7 2.815 -4.268 -14.962 1.00 64.11 C ATOM 94 O ILE A 7 3.033 -4.610 -16.124 1.00 22.32 O ATOM 95 CB ILE A 7 2.711 -6.076 -13.245 1.00 62.41 C ATOM 96 CG1 ILE A 7 3.360 -6.654 -11.985 1.00 52.33 C ATOM 97 CG2 ILE A 7 2.532 -7.159 -14.299 1.00 65.00 C ATOM 98 CD1 ILE A 7 2.564 -7.775 -11.356 1.00 32.43 C ATOM 0 H ILE A 7 3.339 -4.049 -11.910 1.00 11.32 H new ATOM 0 HA ILE A 7 4.511 -5.318 -14.163 1.00 72.12 H new ATOM 0 HB ILE A 7 1.727 -5.688 -12.980 1.00 62.41 H new ATOM 0 HG12 ILE A 7 4.355 -7.022 -12.235 1.00 52.33 H new ATOM 0 HG13 ILE A 7 3.489 -5.856 -11.254 1.00 52.33 H new ATOM 0 HG21 ILE A 7 1.928 -7.969 -13.890 1.00 65.00 H new ATOM 0 HG22 ILE A 7 2.031 -6.739 -15.171 1.00 65.00 H new ATOM 0 HG23 ILE A 7 3.508 -7.546 -14.592 1.00 65.00 H new ATOM 0 HD11 ILE A 7 3.083 -8.136 -10.468 1.00 32.43 H new ATOM 0 HD12 ILE A 7 1.577 -7.407 -11.075 1.00 32.43 H new ATOM 0 HD13 ILE A 7 2.457 -8.591 -12.071 1.00 32.43 H new ATOM 110 N GLU A 8 1.936 -3.326 -14.637 1.00 52.10 N ATOM 111 CA GLU A 8 1.158 -2.625 -15.652 1.00 71.10 C ATOM 112 C GLU A 8 2.067 -1.811 -16.569 1.00 20.45 C ATOM 113 O GLU A 8 1.745 -1.583 -17.734 1.00 41.40 O ATOM 114 CB GLU A 8 0.127 -1.707 -14.992 1.00 73.14 C ATOM 115 CG GLU A 8 -1.036 -1.346 -15.901 1.00 74.30 C ATOM 116 CD GLU A 8 -1.958 -0.311 -15.286 1.00 32.43 C ATOM 117 OE1 GLU A 8 -1.545 0.346 -14.308 1.00 23.43 O ATOM 118 OE2 GLU A 8 -3.094 -0.159 -15.783 1.00 44.41 O ATOM 0 H GLU A 8 1.745 -3.031 -13.680 1.00 52.10 H new ATOM 0 HA GLU A 8 0.638 -3.371 -16.254 1.00 71.10 H new ATOM 0 HB2 GLU A 8 -0.260 -2.194 -14.097 1.00 73.14 H new ATOM 0 HB3 GLU A 8 0.622 -0.791 -14.669 1.00 73.14 H new ATOM 0 HG2 GLU A 8 -0.649 -0.966 -16.846 1.00 74.30 H new ATOM 0 HG3 GLU A 8 -1.607 -2.246 -16.129 1.00 74.30 H new ATOM 125 N GLN A 9 3.203 -1.377 -16.032 1.00 31.31 N ATOM 126 CA GLN A 9 4.158 -0.588 -16.801 1.00 32.12 C ATOM 127 C GLN A 9 5.279 -1.468 -17.344 1.00 0.13 C ATOM 128 O GLN A 9 5.968 -1.098 -18.295 1.00 1.14 O ATOM 129 CB GLN A 9 4.744 0.528 -15.934 1.00 55.35 C ATOM 130 CG GLN A 9 3.768 1.661 -15.660 1.00 35.00 C ATOM 131 CD GLN A 9 4.263 2.611 -14.588 1.00 12.14 C ATOM 132 OE1 GLN A 9 5.086 2.244 -13.749 1.00 4.11 O ATOM 133 NE2 GLN A 9 3.762 3.841 -14.609 1.00 25.01 N ATOM 0 H GLN A 9 3.484 -1.558 -15.068 1.00 31.31 H new ATOM 0 HA GLN A 9 3.629 -0.144 -17.644 1.00 32.12 H new ATOM 0 HB2 GLN A 9 5.072 0.105 -14.985 1.00 55.35 H new ATOM 0 HB3 GLN A 9 5.629 0.932 -16.426 1.00 55.35 H new ATOM 0 HG2 GLN A 9 3.595 2.217 -16.581 1.00 35.00 H new ATOM 0 HG3 GLN A 9 2.809 1.243 -15.355 1.00 35.00 H new ATOM 0 HE21 GLN A 9 3.082 4.103 -15.323 1.00 25.01 H new ATOM 0 HE22 GLN A 9 4.057 4.524 -13.911 1.00 25.01 H new ATOM 142 N LYS A 10 5.457 -2.635 -16.733 1.00 41.53 N ATOM 143 CA LYS A 10 6.494 -3.569 -17.155 1.00 40.20 C ATOM 144 C LYS A 10 5.973 -4.506 -18.240 1.00 45.12 C ATOM 145 O LYS A 10 6.752 -5.125 -18.966 1.00 11.13 O ATOM 146 CB LYS A 10 6.993 -4.383 -15.959 1.00 75.32 C ATOM 147 CG LYS A 10 7.905 -5.534 -16.345 1.00 65.22 C ATOM 148 CD LYS A 10 7.141 -6.844 -16.443 1.00 1.22 C ATOM 149 CE LYS A 10 6.692 -7.331 -15.074 1.00 3.35 C ATOM 150 NZ LYS A 10 7.837 -7.471 -14.132 1.00 65.31 N ATOM 0 H LYS A 10 4.896 -2.956 -15.944 1.00 41.53 H new ATOM 0 HA LYS A 10 7.323 -2.992 -17.565 1.00 40.20 H new ATOM 0 HB2 LYS A 10 7.526 -3.721 -15.277 1.00 75.32 H new ATOM 0 HB3 LYS A 10 6.135 -4.777 -15.415 1.00 75.32 H new ATOM 0 HG2 LYS A 10 8.381 -5.317 -17.301 1.00 65.22 H new ATOM 0 HG3 LYS A 10 8.702 -5.631 -15.607 1.00 65.22 H new ATOM 0 HD2 LYS A 10 6.271 -6.712 -17.087 1.00 1.22 H new ATOM 0 HD3 LYS A 10 7.772 -7.600 -16.911 1.00 1.22 H new ATOM 0 HE2 LYS A 10 5.965 -6.632 -14.660 1.00 3.35 H new ATOM 0 HE3 LYS A 10 6.188 -8.292 -15.178 1.00 3.35 H new ATOM 0 HZ1 LYS A 10 7.575 -8.118 -13.361 1.00 65.31 H new ATOM 0 HZ2 LYS A 10 8.660 -7.854 -14.640 1.00 65.31 H new ATOM 0 HZ3 LYS A 10 8.077 -6.540 -13.736 1.00 65.31 H new ATOM 164 N VAL A 11 4.652 -4.604 -18.347 1.00 21.41 N ATOM 165 CA VAL A 11 4.028 -5.464 -19.345 1.00 53.15 C ATOM 166 C VAL A 11 4.600 -5.200 -20.733 1.00 45.34 C ATOM 167 O VAL A 11 4.786 -6.124 -21.526 1.00 14.03 O ATOM 168 CB VAL A 11 2.501 -5.261 -19.385 1.00 24.21 C ATOM 169 CG1 VAL A 11 2.163 -3.801 -19.644 1.00 71.10 C ATOM 170 CG2 VAL A 11 1.872 -6.158 -20.440 1.00 64.33 C ATOM 0 H VAL A 11 3.993 -4.098 -17.755 1.00 21.41 H new ATOM 0 HA VAL A 11 4.244 -6.492 -19.055 1.00 53.15 H new ATOM 0 HB VAL A 11 2.090 -5.537 -18.414 1.00 24.21 H new ATOM 0 HG11 VAL A 11 1.080 -3.677 -19.669 1.00 71.10 H new ATOM 0 HG12 VAL A 11 2.581 -3.184 -18.848 1.00 71.10 H new ATOM 0 HG13 VAL A 11 2.585 -3.494 -20.601 1.00 71.10 H new ATOM 0 HG21 VAL A 11 0.793 -6.002 -20.454 1.00 64.33 H new ATOM 0 HG22 VAL A 11 2.287 -5.915 -21.418 1.00 64.33 H new ATOM 0 HG23 VAL A 11 2.084 -7.201 -20.204 1.00 64.33 H new ATOM 180 N ILE A 12 4.880 -3.933 -21.021 1.00 14.22 N ATOM 181 CA ILE A 12 5.433 -3.547 -22.313 1.00 22.31 C ATOM 182 C ILE A 12 6.664 -4.381 -22.655 1.00 14.23 C ATOM 183 O ILE A 12 6.839 -4.807 -23.796 1.00 12.14 O ATOM 184 CB ILE A 12 5.814 -2.055 -22.340 1.00 22.34 C ATOM 185 CG1 ILE A 12 6.451 -1.693 -23.683 1.00 14.00 C ATOM 186 CG2 ILE A 12 6.761 -1.730 -21.194 1.00 11.11 C ATOM 187 CD1 ILE A 12 6.943 -0.264 -23.753 1.00 30.44 C ATOM 0 H ILE A 12 4.733 -3.156 -20.376 1.00 14.22 H new ATOM 0 HA ILE A 12 4.656 -3.728 -23.056 1.00 22.31 H new ATOM 0 HB ILE A 12 4.908 -1.461 -22.217 1.00 22.34 H new ATOM 0 HG12 ILE A 12 7.287 -2.366 -23.873 1.00 14.00 H new ATOM 0 HG13 ILE A 12 5.723 -1.857 -24.477 1.00 14.00 H new ATOM 0 HG21 ILE A 12 7.021 -0.672 -21.226 1.00 11.11 H new ATOM 0 HG22 ILE A 12 6.275 -1.955 -20.245 1.00 11.11 H new ATOM 0 HG23 ILE A 12 7.666 -2.330 -21.289 1.00 11.11 H new ATOM 0 HD11 ILE A 12 7.382 -0.078 -24.733 1.00 30.44 H new ATOM 0 HD12 ILE A 12 6.107 0.417 -23.595 1.00 30.44 H new ATOM 0 HD13 ILE A 12 7.695 -0.100 -22.981 1.00 30.44 H new ATOM 199 N GLU A 13 7.512 -4.611 -21.657 1.00 52.41 N ATOM 200 CA GLU A 13 8.726 -5.395 -21.853 1.00 14.42 C ATOM 201 C GLU A 13 8.398 -6.878 -21.994 1.00 61.33 C ATOM 202 O GLU A 13 9.143 -7.632 -22.620 1.00 54.15 O ATOM 203 CB GLU A 13 9.690 -5.183 -20.684 1.00 32.13 C ATOM 204 CG GLU A 13 11.152 -5.354 -21.062 1.00 35.54 C ATOM 205 CD GLU A 13 11.583 -4.409 -22.166 1.00 22.31 C ATOM 206 OE1 GLU A 13 11.071 -3.271 -22.208 1.00 31.42 O ATOM 207 OE2 GLU A 13 12.434 -4.808 -22.988 1.00 62.34 O ATOM 0 H GLU A 13 7.381 -4.266 -20.706 1.00 52.41 H new ATOM 0 HA GLU A 13 9.203 -5.057 -22.773 1.00 14.42 H new ATOM 0 HB2 GLU A 13 9.543 -4.182 -20.280 1.00 32.13 H new ATOM 0 HB3 GLU A 13 9.444 -5.887 -19.889 1.00 32.13 H new ATOM 0 HG2 GLU A 13 11.773 -5.186 -20.182 1.00 35.54 H new ATOM 0 HG3 GLU A 13 11.323 -6.382 -21.381 1.00 35.54 H new ATOM 214 N MET A 14 7.279 -7.290 -21.407 1.00 41.20 N ATOM 215 CA MET A 14 6.852 -8.683 -21.468 1.00 3.11 C ATOM 216 C MET A 14 6.346 -9.036 -22.863 1.00 0.11 C ATOM 217 O MET A 14 6.912 -9.894 -23.541 1.00 12.22 O ATOM 218 CB MET A 14 5.758 -8.949 -20.433 1.00 14.01 C ATOM 219 CG MET A 14 5.368 -10.414 -20.323 1.00 61.21 C ATOM 220 SD MET A 14 6.463 -11.344 -19.234 1.00 65.30 S ATOM 221 CE MET A 14 7.436 -12.257 -20.430 1.00 55.43 C ATOM 0 H MET A 14 6.652 -6.679 -20.884 1.00 41.20 H new ATOM 0 HA MET A 14 7.714 -9.311 -21.244 1.00 3.11 H new ATOM 0 HB2 MET A 14 6.098 -8.598 -19.459 1.00 14.01 H new ATOM 0 HB3 MET A 14 4.875 -8.365 -20.692 1.00 14.01 H new ATOM 0 HG2 MET A 14 4.346 -10.487 -19.952 1.00 61.21 H new ATOM 0 HG3 MET A 14 5.380 -10.865 -21.315 1.00 61.21 H new ATOM 0 HE1 MET A 14 7.406 -13.319 -20.188 1.00 55.43 H new ATOM 0 HE2 MET A 14 7.026 -12.100 -21.428 1.00 55.43 H new ATOM 0 HE3 MET A 14 8.468 -11.907 -20.402 1.00 55.43 H new ATOM 231 N VAL A 15 5.277 -8.369 -23.286 1.00 33.22 N ATOM 232 CA VAL A 15 4.695 -8.612 -24.600 1.00 72.24 C ATOM 233 C VAL A 15 5.728 -8.413 -25.704 1.00 14.01 C ATOM 234 O VAL A 15 5.602 -8.971 -26.793 1.00 65.34 O ATOM 235 CB VAL A 15 3.494 -7.684 -24.863 1.00 32.21 C ATOM 236 CG1 VAL A 15 2.924 -7.928 -26.252 1.00 44.52 C ATOM 237 CG2 VAL A 15 2.426 -7.882 -23.798 1.00 13.32 C ATOM 0 H VAL A 15 4.796 -7.656 -22.737 1.00 33.22 H new ATOM 0 HA VAL A 15 4.353 -9.647 -24.608 1.00 72.24 H new ATOM 0 HB VAL A 15 3.838 -6.651 -24.814 1.00 32.21 H new ATOM 0 HG11 VAL A 15 2.076 -7.263 -26.419 1.00 44.52 H new ATOM 0 HG12 VAL A 15 3.692 -7.732 -27.000 1.00 44.52 H new ATOM 0 HG13 VAL A 15 2.594 -8.964 -26.333 1.00 44.52 H new ATOM 0 HG21 VAL A 15 1.585 -7.219 -23.999 1.00 13.32 H new ATOM 0 HG22 VAL A 15 2.084 -8.917 -23.814 1.00 13.32 H new ATOM 0 HG23 VAL A 15 2.843 -7.652 -22.817 1.00 13.32 H new ATOM 247 N ALA A 16 6.749 -7.613 -25.414 1.00 32.43 N ATOM 248 CA ALA A 16 7.805 -7.342 -26.380 1.00 64.34 C ATOM 249 C ALA A 16 8.768 -8.520 -26.487 1.00 30.25 C ATOM 250 O ALA A 16 9.446 -8.689 -27.499 1.00 62.32 O ATOM 251 CB ALA A 16 8.558 -6.076 -25.999 1.00 32.13 C ATOM 0 H ALA A 16 6.867 -7.141 -24.517 1.00 32.43 H new ATOM 0 HA ALA A 16 7.341 -7.196 -27.355 1.00 64.34 H new ATOM 0 HB1 ALA A 16 9.344 -5.886 -26.730 1.00 32.13 H new ATOM 0 HB2 ALA A 16 7.867 -5.233 -25.982 1.00 32.13 H new ATOM 0 HB3 ALA A 16 9.003 -6.201 -25.012 1.00 32.13 H new ATOM 257 N GLU A 17 8.822 -9.331 -25.434 1.00 43.13 N ATOM 258 CA GLU A 17 9.704 -10.492 -25.410 1.00 71.12 C ATOM 259 C GLU A 17 8.920 -11.776 -25.667 1.00 51.23 C ATOM 260 O GLU A 17 9.489 -12.799 -26.049 1.00 53.33 O ATOM 261 CB GLU A 17 10.427 -10.584 -24.065 1.00 14.23 C ATOM 262 CG GLU A 17 11.804 -11.218 -24.156 1.00 23.13 C ATOM 263 CD GLU A 17 12.756 -10.422 -25.027 1.00 65.42 C ATOM 264 OE1 GLU A 17 12.729 -9.176 -24.951 1.00 32.14 O ATOM 265 OE2 GLU A 17 13.529 -11.045 -25.785 1.00 73.24 O ATOM 0 H GLU A 17 8.266 -9.205 -24.588 1.00 43.13 H new ATOM 0 HA GLU A 17 10.442 -10.372 -26.203 1.00 71.12 H new ATOM 0 HB2 GLU A 17 10.524 -9.583 -23.645 1.00 14.23 H new ATOM 0 HB3 GLU A 17 9.815 -11.162 -23.372 1.00 14.23 H new ATOM 0 HG2 GLU A 17 12.224 -11.310 -23.155 1.00 23.13 H new ATOM 0 HG3 GLU A 17 11.709 -12.228 -24.556 1.00 23.13 H new ATOM 272 N LYS A 18 7.610 -11.715 -25.454 1.00 52.44 N ATOM 273 CA LYS A 18 6.745 -12.870 -25.663 1.00 24.10 C ATOM 274 C LYS A 18 6.613 -13.189 -27.149 1.00 31.44 C ATOM 275 O LYS A 18 6.855 -14.319 -27.575 1.00 73.52 O ATOM 276 CB LYS A 18 5.362 -12.614 -25.060 1.00 42.43 C ATOM 277 CG LYS A 18 4.428 -13.808 -25.150 1.00 64.25 C ATOM 278 CD LYS A 18 3.563 -13.747 -26.398 1.00 43.31 C ATOM 279 CE LYS A 18 2.168 -14.293 -26.136 1.00 41.14 C ATOM 280 NZ LYS A 18 1.371 -13.385 -25.266 1.00 2.31 N ATOM 0 H LYS A 18 7.124 -10.877 -25.136 1.00 52.44 H new ATOM 0 HA LYS A 18 7.198 -13.727 -25.164 1.00 24.10 H new ATOM 0 HB2 LYS A 18 5.478 -12.332 -24.013 1.00 42.43 H new ATOM 0 HB3 LYS A 18 4.904 -11.766 -25.570 1.00 42.43 H new ATOM 0 HG2 LYS A 18 5.012 -14.728 -25.156 1.00 64.25 H new ATOM 0 HG3 LYS A 18 3.791 -13.840 -24.266 1.00 64.25 H new ATOM 0 HD2 LYS A 18 3.492 -12.715 -26.743 1.00 43.31 H new ATOM 0 HD3 LYS A 18 4.035 -14.319 -27.197 1.00 43.31 H new ATOM 0 HE2 LYS A 18 1.650 -14.435 -27.084 1.00 41.14 H new ATOM 0 HE3 LYS A 18 2.244 -15.273 -25.665 1.00 41.14 H new ATOM 0 HZ1 LYS A 18 0.597 -13.920 -24.823 1.00 2.31 H new ATOM 0 HZ2 LYS A 18 1.984 -12.987 -24.526 1.00 2.31 H new ATOM 0 HZ3 LYS A 18 0.975 -12.613 -25.840 1.00 2.31 H new ATOM 294 N LEU A 19 6.229 -12.188 -27.932 1.00 42.24 N ATOM 295 CA LEU A 19 6.066 -12.362 -29.372 1.00 3.34 C ATOM 296 C LEU A 19 7.079 -11.519 -30.140 1.00 23.10 C ATOM 297 O LEU A 19 6.888 -11.223 -31.319 1.00 1.35 O ATOM 298 CB LEU A 19 4.646 -11.982 -29.793 1.00 73.34 C ATOM 299 CG LEU A 19 3.948 -12.951 -30.749 1.00 31.13 C ATOM 300 CD1 LEU A 19 4.832 -13.246 -31.950 1.00 41.34 C ATOM 301 CD2 LEU A 19 3.579 -14.239 -30.027 1.00 24.12 C ATOM 0 H LEU A 19 6.024 -11.247 -27.595 1.00 42.24 H new ATOM 0 HA LEU A 19 6.240 -13.412 -29.609 1.00 3.34 H new ATOM 0 HB2 LEU A 19 4.036 -11.886 -28.895 1.00 73.34 H new ATOM 0 HB3 LEU A 19 4.678 -10.999 -30.263 1.00 73.34 H new ATOM 0 HG LEU A 19 3.031 -12.482 -31.106 1.00 31.13 H new ATOM 0 HD11 LEU A 19 4.319 -13.937 -32.619 1.00 41.34 H new ATOM 0 HD12 LEU A 19 5.046 -12.318 -32.481 1.00 41.34 H new ATOM 0 HD13 LEU A 19 5.766 -13.694 -31.613 1.00 41.34 H new ATOM 0 HD21 LEU A 19 3.083 -14.917 -30.722 1.00 24.12 H new ATOM 0 HD22 LEU A 19 4.482 -14.712 -29.641 1.00 24.12 H new ATOM 0 HD23 LEU A 19 2.907 -14.012 -29.200 1.00 24.12 H new ATOM 313 N ASN A 20 8.158 -11.138 -29.464 1.00 65.21 N ATOM 314 CA ASN A 20 9.203 -10.331 -30.084 1.00 21.01 C ATOM 315 C ASN A 20 8.612 -9.085 -30.737 1.00 24.12 C ATOM 316 O ASN A 20 8.929 -8.761 -31.881 1.00 43.44 O ATOM 317 CB ASN A 20 9.963 -11.155 -31.126 1.00 13.04 C ATOM 318 CG ASN A 20 11.301 -10.540 -31.485 1.00 42.35 C ATOM 319 OD1 ASN A 20 11.674 -9.488 -30.964 1.00 71.53 O ATOM 320 ND2 ASN A 20 12.031 -11.194 -32.381 1.00 42.13 N ATOM 0 H ASN A 20 8.332 -11.375 -28.487 1.00 65.21 H new ATOM 0 HA ASN A 20 9.896 -10.017 -29.304 1.00 21.01 H new ATOM 0 HB2 ASN A 20 10.121 -12.163 -30.743 1.00 13.04 H new ATOM 0 HB3 ASN A 20 9.355 -11.247 -32.026 1.00 13.04 H new ATOM 0 HD21 ASN A 20 12.940 -10.828 -32.663 1.00 42.13 H new ATOM 0 HD22 ASN A 20 11.682 -12.062 -32.787 1.00 42.13 H new ATOM 327 N LYS A 21 7.752 -8.390 -30.001 1.00 0.41 N ATOM 328 CA LYS A 21 7.117 -7.178 -30.506 1.00 4.13 C ATOM 329 C LYS A 21 7.909 -5.939 -30.099 1.00 62.12 C ATOM 330 O LYS A 21 8.110 -5.681 -28.912 1.00 53.13 O ATOM 331 CB LYS A 21 5.683 -7.073 -29.983 1.00 73.33 C ATOM 332 CG LYS A 21 4.700 -6.534 -31.008 1.00 70.44 C ATOM 333 CD LYS A 21 4.576 -7.464 -32.204 1.00 51.42 C ATOM 334 CE LYS A 21 3.274 -7.234 -32.956 1.00 13.31 C ATOM 335 NZ LYS A 21 3.066 -8.247 -34.028 1.00 14.45 N ATOM 0 H LYS A 21 7.478 -8.645 -29.052 1.00 0.41 H new ATOM 0 HA LYS A 21 7.097 -7.235 -31.594 1.00 4.13 H new ATOM 0 HB2 LYS A 21 5.351 -8.059 -29.657 1.00 73.33 H new ATOM 0 HB3 LYS A 21 5.672 -6.426 -29.106 1.00 73.33 H new ATOM 0 HG2 LYS A 21 3.722 -6.405 -30.543 1.00 70.44 H new ATOM 0 HG3 LYS A 21 5.026 -5.550 -31.344 1.00 70.44 H new ATOM 0 HD2 LYS A 21 5.419 -7.307 -32.877 1.00 51.42 H new ATOM 0 HD3 LYS A 21 4.625 -8.500 -31.868 1.00 51.42 H new ATOM 0 HE2 LYS A 21 2.439 -7.269 -32.256 1.00 13.31 H new ATOM 0 HE3 LYS A 21 3.280 -6.236 -33.395 1.00 13.31 H new ATOM 0 HZ1 LYS A 21 2.089 -8.185 -34.379 1.00 14.45 H new ATOM 0 HZ2 LYS A 21 3.727 -8.066 -34.810 1.00 14.45 H new ATOM 0 HZ3 LYS A 21 3.236 -9.198 -33.644 1.00 14.45 H new ATOM 349 N ASP A 22 8.355 -5.176 -31.091 1.00 23.11 N ATOM 350 CA ASP A 22 9.123 -3.963 -30.836 1.00 50.32 C ATOM 351 C ASP A 22 8.370 -3.032 -29.891 1.00 1.32 C ATOM 352 O ASP A 22 7.139 -2.994 -29.888 1.00 64.32 O ATOM 353 CB ASP A 22 9.426 -3.240 -32.150 1.00 13.03 C ATOM 354 CG ASP A 22 10.750 -2.503 -32.113 1.00 61.11 C ATOM 355 OD1 ASP A 22 10.825 -1.450 -31.446 1.00 34.31 O ATOM 356 OD2 ASP A 22 11.712 -2.979 -32.752 1.00 40.34 O ATOM 0 H ASP A 22 8.198 -5.376 -32.079 1.00 23.11 H new ATOM 0 HA ASP A 22 10.062 -4.250 -30.363 1.00 50.32 H new ATOM 0 HB2 ASP A 22 9.439 -3.964 -32.965 1.00 13.03 H new ATOM 0 HB3 ASP A 22 8.625 -2.532 -32.365 1.00 13.03 H new ATOM 361 N LYS A 23 9.117 -2.282 -29.088 1.00 2.22 N ATOM 362 CA LYS A 23 8.522 -1.350 -28.137 1.00 71.22 C ATOM 363 C LYS A 23 7.655 -0.321 -28.855 1.00 12.43 C ATOM 364 O LYS A 23 6.733 0.245 -28.268 1.00 10.31 O ATOM 365 CB LYS A 23 9.615 -0.641 -27.334 1.00 33.31 C ATOM 366 CG LYS A 23 10.508 0.251 -28.178 1.00 11.30 C ATOM 367 CD LYS A 23 11.779 0.629 -27.436 1.00 41.44 C ATOM 368 CE LYS A 23 11.555 1.820 -26.517 1.00 51.43 C ATOM 369 NZ LYS A 23 12.810 2.590 -26.291 1.00 35.03 N ATOM 0 H LYS A 23 10.137 -2.301 -29.077 1.00 2.22 H new ATOM 0 HA LYS A 23 7.890 -1.919 -27.455 1.00 71.22 H new ATOM 0 HB2 LYS A 23 9.149 -0.040 -26.554 1.00 33.31 H new ATOM 0 HB3 LYS A 23 10.231 -1.389 -26.835 1.00 33.31 H new ATOM 0 HG2 LYS A 23 10.765 -0.262 -29.104 1.00 11.30 H new ATOM 0 HG3 LYS A 23 9.965 1.154 -28.455 1.00 11.30 H new ATOM 0 HD2 LYS A 23 12.127 -0.223 -26.851 1.00 41.44 H new ATOM 0 HD3 LYS A 23 12.564 0.865 -28.154 1.00 41.44 H new ATOM 0 HE2 LYS A 23 10.800 2.476 -26.950 1.00 51.43 H new ATOM 0 HE3 LYS A 23 11.165 1.472 -25.560 1.00 51.43 H new ATOM 0 HZ1 LYS A 23 12.616 3.393 -25.660 1.00 35.03 H new ATOM 0 HZ2 LYS A 23 13.523 1.971 -25.855 1.00 35.03 H new ATOM 0 HZ3 LYS A 23 13.169 2.944 -27.201 1.00 35.03 H new ATOM 383 N ALA A 24 7.956 -0.084 -30.127 1.00 51.13 N ATOM 384 CA ALA A 24 7.201 0.875 -30.925 1.00 65.33 C ATOM 385 C ALA A 24 5.924 0.248 -31.473 1.00 70.24 C ATOM 386 O ALA A 24 5.154 0.901 -32.178 1.00 14.35 O ATOM 387 CB ALA A 24 8.061 1.407 -32.063 1.00 32.43 C ATOM 0 H ALA A 24 8.717 -0.543 -30.628 1.00 51.13 H new ATOM 0 HA ALA A 24 6.918 1.706 -30.279 1.00 65.33 H new ATOM 0 HB1 ALA A 24 7.485 2.122 -32.651 1.00 32.43 H new ATOM 0 HB2 ALA A 24 8.942 1.901 -31.653 1.00 32.43 H new ATOM 0 HB3 ALA A 24 8.372 0.580 -32.701 1.00 32.43 H new ATOM 393 N ILE A 25 5.706 -1.022 -31.147 1.00 0.52 N ATOM 394 CA ILE A 25 4.521 -1.736 -31.607 1.00 4.54 C ATOM 395 C ILE A 25 3.647 -2.162 -30.433 1.00 33.43 C ATOM 396 O ILE A 25 2.449 -2.398 -30.592 1.00 14.11 O ATOM 397 CB ILE A 25 4.899 -2.981 -32.430 1.00 40.24 C ATOM 398 CG1 ILE A 25 5.732 -2.579 -33.649 1.00 63.43 C ATOM 399 CG2 ILE A 25 3.647 -3.730 -32.861 1.00 62.43 C ATOM 400 CD1 ILE A 25 6.828 -3.567 -33.984 1.00 2.12 C ATOM 0 H ILE A 25 6.334 -1.577 -30.566 1.00 0.52 H new ATOM 0 HA ILE A 25 3.963 -1.047 -32.241 1.00 4.54 H new ATOM 0 HB ILE A 25 5.499 -3.644 -31.806 1.00 40.24 H new ATOM 0 HG12 ILE A 25 5.073 -2.474 -34.511 1.00 63.43 H new ATOM 0 HG13 ILE A 25 6.178 -1.601 -33.468 1.00 63.43 H new ATOM 0 HG21 ILE A 25 3.930 -4.608 -33.442 1.00 62.43 H new ATOM 0 HG22 ILE A 25 3.089 -4.043 -31.979 1.00 62.43 H new ATOM 0 HG23 ILE A 25 3.024 -3.076 -33.471 1.00 62.43 H new ATOM 0 HD11 ILE A 25 7.378 -3.218 -34.858 1.00 2.12 H new ATOM 0 HD12 ILE A 25 7.510 -3.655 -33.138 1.00 2.12 H new ATOM 0 HD13 ILE A 25 6.387 -4.541 -34.197 1.00 2.12 H new ATOM 412 N ILE A 26 4.253 -2.258 -29.254 1.00 61.44 N ATOM 413 CA ILE A 26 3.529 -2.654 -28.053 1.00 14.10 C ATOM 414 C ILE A 26 2.265 -1.820 -27.873 1.00 52.45 C ATOM 415 O ILE A 26 2.329 -0.641 -27.521 1.00 64.32 O ATOM 416 CB ILE A 26 4.406 -2.514 -26.795 1.00 12.42 C ATOM 417 CG1 ILE A 26 5.661 -3.379 -26.922 1.00 72.55 C ATOM 418 CG2 ILE A 26 3.615 -2.897 -25.553 1.00 4.13 C ATOM 419 CD1 ILE A 26 5.364 -4.855 -27.072 1.00 62.21 C ATOM 0 H ILE A 26 5.244 -2.067 -29.105 1.00 61.44 H new ATOM 0 HA ILE A 26 3.255 -3.701 -28.181 1.00 14.10 H new ATOM 0 HB ILE A 26 4.714 -1.473 -26.699 1.00 12.42 H new ATOM 0 HG12 ILE A 26 6.238 -3.043 -27.783 1.00 72.55 H new ATOM 0 HG13 ILE A 26 6.286 -3.230 -26.042 1.00 72.55 H new ATOM 0 HG21 ILE A 26 4.248 -2.793 -24.672 1.00 4.13 H new ATOM 0 HG22 ILE A 26 2.749 -2.242 -25.457 1.00 4.13 H new ATOM 0 HG23 ILE A 26 3.280 -3.931 -25.639 1.00 4.13 H new ATOM 0 HD11 ILE A 26 6.300 -5.408 -27.157 1.00 62.21 H new ATOM 0 HD12 ILE A 26 4.813 -5.206 -26.199 1.00 62.21 H new ATOM 0 HD13 ILE A 26 4.765 -5.016 -27.968 1.00 62.21 H new ATOM 431 N THR A 27 1.114 -2.439 -28.116 1.00 72.05 N ATOM 432 CA THR A 27 -0.166 -1.755 -27.981 1.00 42.32 C ATOM 433 C THR A 27 -1.127 -2.554 -27.109 1.00 10.34 C ATOM 434 O THR A 27 -0.970 -3.763 -26.940 1.00 33.50 O ATOM 435 CB THR A 27 -0.820 -1.510 -29.354 1.00 43.32 C ATOM 436 OG1 THR A 27 -0.883 -2.735 -30.092 1.00 71.13 O ATOM 437 CG2 THR A 27 -0.039 -0.473 -30.148 1.00 61.42 C ATOM 0 H THR A 27 1.042 -3.414 -28.408 1.00 72.05 H new ATOM 0 HA THR A 27 0.038 -0.795 -27.507 1.00 42.32 H new ATOM 0 HB THR A 27 -1.830 -1.133 -29.189 1.00 43.32 H new ATOM 0 HG1 THR A 27 -1.301 -2.571 -30.963 1.00 71.13 H new ATOM 0 HG21 THR A 27 -0.520 -0.317 -31.114 1.00 61.42 H new ATOM 0 HG22 THR A 27 -0.018 0.467 -29.597 1.00 61.42 H new ATOM 0 HG23 THR A 27 0.981 -0.826 -30.303 1.00 61.42 H new ATOM 445 N THR A 28 -2.124 -1.870 -26.555 1.00 71.11 N ATOM 446 CA THR A 28 -3.111 -2.516 -25.699 1.00 61.21 C ATOM 447 C THR A 28 -3.882 -3.588 -26.461 1.00 22.21 C ATOM 448 O THR A 28 -4.175 -4.656 -25.923 1.00 13.25 O ATOM 449 CB THR A 28 -4.109 -1.495 -25.122 1.00 50.52 C ATOM 450 OG1 THR A 28 -4.764 -0.795 -26.186 1.00 70.02 O ATOM 451 CG2 THR A 28 -3.401 -0.500 -24.215 1.00 13.24 C ATOM 0 H THR A 28 -2.269 -0.869 -26.684 1.00 71.11 H new ATOM 0 HA THR A 28 -2.563 -2.980 -24.879 1.00 61.21 H new ATOM 0 HB THR A 28 -4.850 -2.037 -24.534 1.00 50.52 H new ATOM 0 HG1 THR A 28 -5.427 -1.383 -26.605 1.00 70.02 H new ATOM 0 HG21 THR A 28 -4.126 0.211 -23.819 1.00 13.24 H new ATOM 0 HG22 THR A 28 -2.928 -1.033 -23.390 1.00 13.24 H new ATOM 0 HG23 THR A 28 -2.641 0.035 -24.785 1.00 13.24 H new ATOM 459 N ASP A 29 -4.206 -3.298 -27.716 1.00 13.42 N ATOM 460 CA ASP A 29 -4.942 -4.238 -28.553 1.00 31.33 C ATOM 461 C ASP A 29 -4.005 -4.950 -29.524 1.00 20.05 C ATOM 462 O ASP A 29 -4.420 -5.381 -30.599 1.00 71.11 O ATOM 463 CB ASP A 29 -6.043 -3.512 -29.327 1.00 40.11 C ATOM 464 CG ASP A 29 -7.011 -2.787 -28.414 1.00 13.45 C ATOM 465 OD1 ASP A 29 -6.748 -1.612 -28.083 1.00 4.21 O ATOM 466 OD2 ASP A 29 -8.033 -3.394 -28.028 1.00 65.04 O ATOM 0 H ASP A 29 -3.970 -2.419 -28.176 1.00 13.42 H new ATOM 0 HA ASP A 29 -5.398 -4.985 -27.903 1.00 31.33 H new ATOM 0 HB2 ASP A 29 -5.589 -2.796 -30.013 1.00 40.11 H new ATOM 0 HB3 ASP A 29 -6.591 -4.232 -29.935 1.00 40.11 H new ATOM 471 N SER A 30 -2.739 -5.068 -29.137 1.00 21.34 N ATOM 472 CA SER A 30 -1.741 -5.723 -29.975 1.00 34.22 C ATOM 473 C SER A 30 -2.222 -7.103 -30.415 1.00 15.35 C ATOM 474 O SER A 30 -2.228 -8.050 -29.628 1.00 51.12 O ATOM 475 CB SER A 30 -0.415 -5.849 -29.222 1.00 73.03 C ATOM 476 OG SER A 30 0.611 -6.328 -30.074 1.00 71.20 O ATOM 0 H SER A 30 -2.380 -4.719 -28.249 1.00 21.34 H new ATOM 0 HA SER A 30 -1.589 -5.110 -30.863 1.00 34.22 H new ATOM 0 HB2 SER A 30 -0.131 -4.879 -28.815 1.00 73.03 H new ATOM 0 HB3 SER A 30 -0.536 -6.526 -28.377 1.00 73.03 H new ATOM 0 HG SER A 30 1.448 -6.399 -29.570 1.00 71.20 H new ATOM 482 N ARG A 31 -2.626 -7.207 -31.677 1.00 23.24 N ATOM 483 CA ARG A 31 -3.110 -8.470 -32.222 1.00 0.52 C ATOM 484 C ARG A 31 -1.998 -9.202 -32.968 1.00 12.25 C ATOM 485 O ARG A 31 -2.187 -9.653 -34.097 1.00 61.14 O ATOM 486 CB ARG A 31 -4.292 -8.224 -33.161 1.00 15.22 C ATOM 487 CG ARG A 31 -5.342 -7.286 -32.586 1.00 44.03 C ATOM 488 CD ARG A 31 -6.697 -7.497 -33.243 1.00 20.43 C ATOM 489 NE ARG A 31 -6.731 -6.979 -34.608 1.00 21.33 N ATOM 490 CZ ARG A 31 -7.829 -6.947 -35.355 1.00 21.54 C ATOM 491 NH1 ARG A 31 -8.977 -7.401 -34.871 1.00 31.21 N ATOM 492 NH2 ARG A 31 -7.780 -6.461 -36.588 1.00 0.30 N ATOM 0 H ARG A 31 -2.628 -6.433 -32.341 1.00 23.24 H new ATOM 0 HA ARG A 31 -3.438 -9.094 -31.391 1.00 0.52 H new ATOM 0 HB2 ARG A 31 -3.921 -7.809 -34.098 1.00 15.22 H new ATOM 0 HB3 ARG A 31 -4.761 -9.179 -33.399 1.00 15.22 H new ATOM 0 HG2 ARG A 31 -5.428 -7.449 -31.512 1.00 44.03 H new ATOM 0 HG3 ARG A 31 -5.025 -6.253 -32.727 1.00 44.03 H new ATOM 0 HD2 ARG A 31 -6.933 -8.561 -33.253 1.00 20.43 H new ATOM 0 HD3 ARG A 31 -7.468 -7.005 -32.650 1.00 20.43 H new ATOM 0 HE ARG A 31 -5.864 -6.622 -35.010 1.00 21.33 H new ATOM 0 HH11 ARG A 31 -9.018 -7.776 -33.923 1.00 31.21 H new ATOM 0 HH12 ARG A 31 -9.819 -7.375 -35.446 1.00 31.21 H new ATOM 0 HH21 ARG A 31 -6.899 -6.111 -36.964 1.00 0.30 H new ATOM 0 HH22 ARG A 31 -8.624 -6.437 -37.161 1.00 0.30 H new ATOM 506 N PHE A 32 -0.839 -9.316 -32.328 1.00 0.52 N ATOM 507 CA PHE A 32 0.304 -9.991 -32.931 1.00 31.43 C ATOM 508 C PHE A 32 -0.092 -11.371 -33.450 1.00 3.25 C ATOM 509 O PHE A 32 0.462 -11.857 -34.436 1.00 4.11 O ATOM 510 CB PHE A 32 1.440 -10.123 -31.914 1.00 40.14 C ATOM 511 CG PHE A 32 0.976 -10.532 -30.546 1.00 13.43 C ATOM 512 CD1 PHE A 32 0.668 -11.854 -30.270 1.00 60.23 C ATOM 513 CD2 PHE A 32 0.846 -9.593 -29.535 1.00 23.14 C ATOM 514 CE1 PHE A 32 0.241 -12.234 -29.012 1.00 13.23 C ATOM 515 CE2 PHE A 32 0.420 -9.967 -28.274 1.00 51.22 C ATOM 516 CZ PHE A 32 0.116 -11.288 -28.013 1.00 34.53 C ATOM 0 H PHE A 32 -0.667 -8.950 -31.392 1.00 0.52 H new ATOM 0 HA PHE A 32 0.647 -9.390 -33.773 1.00 31.43 H new ATOM 0 HB2 PHE A 32 2.160 -10.856 -32.279 1.00 40.14 H new ATOM 0 HB3 PHE A 32 1.964 -9.170 -31.841 1.00 40.14 H new ATOM 0 HD1 PHE A 32 0.763 -12.597 -31.048 1.00 60.23 H new ATOM 0 HD2 PHE A 32 1.080 -8.558 -29.734 1.00 23.14 H new ATOM 0 HE1 PHE A 32 0.005 -13.268 -28.810 1.00 13.23 H new ATOM 0 HE2 PHE A 32 0.325 -9.226 -27.494 1.00 51.22 H new ATOM 0 HZ PHE A 32 -0.219 -11.582 -27.029 1.00 34.53 H new ATOM 526 N ILE A 33 -1.053 -11.996 -32.778 1.00 4.24 N ATOM 527 CA ILE A 33 -1.523 -13.318 -33.170 1.00 63.44 C ATOM 528 C ILE A 33 -1.992 -13.326 -34.621 1.00 75.31 C ATOM 529 O ILE A 33 -1.704 -14.258 -35.372 1.00 3.43 O ATOM 530 CB ILE A 33 -2.674 -13.798 -32.267 1.00 53.20 C ATOM 531 CG1 ILE A 33 -3.189 -15.159 -32.739 1.00 60.11 C ATOM 532 CG2 ILE A 33 -3.800 -12.775 -32.256 1.00 51.52 C ATOM 533 CD1 ILE A 33 -2.117 -16.225 -32.791 1.00 72.35 C ATOM 0 H ILE A 33 -1.521 -11.608 -31.959 1.00 4.24 H new ATOM 0 HA ILE A 33 -0.679 -13.999 -33.059 1.00 63.44 H new ATOM 0 HB ILE A 33 -2.297 -13.906 -31.250 1.00 53.20 H new ATOM 0 HG12 ILE A 33 -3.986 -15.488 -32.072 1.00 60.11 H new ATOM 0 HG13 ILE A 33 -3.629 -15.048 -33.730 1.00 60.11 H new ATOM 0 HG21 ILE A 33 -4.606 -13.128 -31.613 1.00 51.52 H new ATOM 0 HG22 ILE A 33 -3.424 -11.824 -31.877 1.00 51.52 H new ATOM 0 HG23 ILE A 33 -4.177 -12.638 -33.269 1.00 51.52 H new ATOM 0 HD11 ILE A 33 -2.553 -17.163 -33.134 1.00 72.35 H new ATOM 0 HD12 ILE A 33 -1.331 -15.917 -33.480 1.00 72.35 H new ATOM 0 HD13 ILE A 33 -1.693 -16.364 -31.796 1.00 72.35 H new ATOM 545 N GLU A 34 -2.717 -12.281 -35.009 1.00 23.12 N ATOM 546 CA GLU A 34 -3.225 -12.168 -36.371 1.00 14.14 C ATOM 547 C GLU A 34 -2.236 -11.422 -37.261 1.00 4.01 C ATOM 548 O GLU A 34 -1.790 -11.942 -38.284 1.00 74.20 O ATOM 549 CB GLU A 34 -4.576 -11.448 -36.376 1.00 62.52 C ATOM 550 CG GLU A 34 -5.756 -12.367 -36.108 1.00 70.11 C ATOM 551 CD GLU A 34 -5.866 -13.487 -37.124 1.00 61.41 C ATOM 552 OE1 GLU A 34 -6.191 -13.196 -38.294 1.00 64.24 O ATOM 553 OE2 GLU A 34 -5.628 -14.654 -36.749 1.00 62.44 O ATOM 0 H GLU A 34 -2.965 -11.502 -34.400 1.00 23.12 H new ATOM 0 HA GLU A 34 -3.355 -13.175 -36.768 1.00 14.14 H new ATOM 0 HB2 GLU A 34 -4.561 -10.660 -35.623 1.00 62.52 H new ATOM 0 HB3 GLU A 34 -4.716 -10.963 -37.342 1.00 62.52 H new ATOM 0 HG2 GLU A 34 -5.659 -12.795 -35.110 1.00 70.11 H new ATOM 0 HG3 GLU A 34 -6.676 -11.783 -36.116 1.00 70.11 H new ATOM 560 N ASP A 35 -1.897 -10.200 -36.864 1.00 64.41 N ATOM 561 CA ASP A 35 -0.959 -9.382 -37.625 1.00 14.13 C ATOM 562 C ASP A 35 0.335 -10.144 -37.892 1.00 73.11 C ATOM 563 O ASP A 35 0.753 -10.295 -39.041 1.00 33.42 O ATOM 564 CB ASP A 35 -0.656 -8.085 -36.874 1.00 10.35 C ATOM 565 CG ASP A 35 -1.648 -6.984 -37.194 1.00 72.25 C ATOM 566 OD1 ASP A 35 -2.776 -7.028 -36.660 1.00 5.13 O ATOM 567 OD2 ASP A 35 -1.298 -6.080 -37.981 1.00 45.33 O ATOM 0 H ASP A 35 -2.257 -9.754 -36.020 1.00 64.41 H new ATOM 0 HA ASP A 35 -1.420 -9.140 -38.582 1.00 14.13 H new ATOM 0 HB2 ASP A 35 -0.667 -8.279 -35.801 1.00 10.35 H new ATOM 0 HB3 ASP A 35 0.349 -7.749 -37.127 1.00 10.35 H new ATOM 572 N LEU A 36 0.965 -10.621 -36.825 1.00 25.13 N ATOM 573 CA LEU A 36 2.213 -11.367 -36.943 1.00 65.25 C ATOM 574 C LEU A 36 1.944 -12.828 -37.292 1.00 11.53 C ATOM 575 O LEU A 36 2.870 -13.599 -37.541 1.00 24.24 O ATOM 576 CB LEU A 36 3.009 -11.280 -35.640 1.00 35.45 C ATOM 577 CG LEU A 36 4.510 -11.027 -35.784 1.00 74.12 C ATOM 578 CD1 LEU A 36 5.181 -12.191 -36.497 1.00 10.22 C ATOM 579 CD2 LEU A 36 4.761 -9.725 -36.531 1.00 22.30 C ATOM 0 H LEU A 36 0.632 -10.505 -35.868 1.00 25.13 H new ATOM 0 HA LEU A 36 2.798 -10.922 -37.748 1.00 65.25 H new ATOM 0 HB2 LEU A 36 2.584 -10.482 -35.031 1.00 35.45 H new ATOM 0 HB3 LEU A 36 2.869 -12.211 -35.090 1.00 35.45 H new ATOM 0 HG LEU A 36 4.943 -10.940 -34.787 1.00 74.12 H new ATOM 0 HD11 LEU A 36 6.249 -11.994 -36.591 1.00 10.22 H new ATOM 0 HD12 LEU A 36 5.030 -13.105 -35.923 1.00 10.22 H new ATOM 0 HD13 LEU A 36 4.746 -12.310 -37.489 1.00 10.22 H new ATOM 0 HD21 LEU A 36 5.834 -9.560 -36.625 1.00 22.30 H new ATOM 0 HD22 LEU A 36 4.315 -9.783 -37.524 1.00 22.30 H new ATOM 0 HD23 LEU A 36 4.314 -8.898 -35.980 1.00 22.30 H new ATOM 591 N LYS A 37 0.669 -13.200 -37.310 1.00 33.44 N ATOM 592 CA LYS A 37 0.275 -14.567 -37.631 1.00 21.11 C ATOM 593 C LYS A 37 1.050 -15.570 -36.782 1.00 71.23 C ATOM 594 O LYS A 37 1.713 -16.462 -37.310 1.00 64.11 O ATOM 595 CB LYS A 37 0.509 -14.851 -39.116 1.00 63.33 C ATOM 596 CG LYS A 37 -0.639 -14.411 -40.008 1.00 63.12 C ATOM 597 CD LYS A 37 -1.918 -15.165 -39.684 1.00 4.33 C ATOM 598 CE LYS A 37 -2.993 -14.914 -40.730 1.00 63.51 C ATOM 599 NZ LYS A 37 -3.511 -13.520 -40.671 1.00 3.44 N ATOM 0 H LYS A 37 -0.110 -12.574 -37.106 1.00 33.44 H new ATOM 0 HA LYS A 37 -0.787 -14.674 -37.410 1.00 21.11 H new ATOM 0 HB2 LYS A 37 1.420 -14.345 -39.435 1.00 63.33 H new ATOM 0 HB3 LYS A 37 0.674 -15.920 -39.251 1.00 63.33 H new ATOM 0 HG2 LYS A 37 -0.806 -13.341 -39.886 1.00 63.12 H new ATOM 0 HG3 LYS A 37 -0.373 -14.576 -41.052 1.00 63.12 H new ATOM 0 HD2 LYS A 37 -1.707 -16.233 -39.626 1.00 4.33 H new ATOM 0 HD3 LYS A 37 -2.284 -14.859 -38.704 1.00 4.33 H new ATOM 0 HE2 LYS A 37 -2.586 -15.108 -41.722 1.00 63.51 H new ATOM 0 HE3 LYS A 37 -3.815 -15.613 -40.580 1.00 63.51 H new ATOM 0 HZ1 LYS A 37 -4.521 -13.535 -40.425 1.00 3.44 H new ATOM 0 HZ2 LYS A 37 -2.987 -12.985 -39.949 1.00 3.44 H new ATOM 0 HZ3 LYS A 37 -3.387 -13.064 -41.598 1.00 3.44 H new ATOM 613 N ALA A 38 0.959 -15.419 -35.465 1.00 45.51 N ATOM 614 CA ALA A 38 1.649 -16.313 -34.544 1.00 61.40 C ATOM 615 C ALA A 38 1.146 -17.745 -34.690 1.00 31.52 C ATOM 616 O ALA A 38 0.022 -18.062 -34.298 1.00 4.31 O ATOM 617 CB ALA A 38 1.473 -15.833 -33.111 1.00 23.41 C ATOM 0 H ALA A 38 0.414 -14.686 -35.012 1.00 45.51 H new ATOM 0 HA ALA A 38 2.711 -16.301 -34.791 1.00 61.40 H new ATOM 0 HB1 ALA A 38 1.994 -16.510 -32.434 1.00 23.41 H new ATOM 0 HB2 ALA A 38 1.887 -14.830 -33.010 1.00 23.41 H new ATOM 0 HB3 ALA A 38 0.412 -15.815 -32.861 1.00 23.41 H new ATOM 623 N ASP A 39 1.984 -18.607 -35.256 1.00 74.00 N ATOM 624 CA ASP A 39 1.623 -20.006 -35.453 1.00 65.43 C ATOM 625 C ASP A 39 1.401 -20.704 -34.115 1.00 55.01 C ATOM 626 O ASP A 39 1.598 -20.111 -33.054 1.00 73.34 O ATOM 627 CB ASP A 39 2.715 -20.729 -36.244 1.00 21.52 C ATOM 628 CG ASP A 39 2.971 -20.091 -37.595 1.00 75.20 C ATOM 629 OD1 ASP A 39 2.046 -20.089 -38.434 1.00 72.10 O ATOM 630 OD2 ASP A 39 4.095 -19.594 -37.814 1.00 25.52 O ATOM 0 H ASP A 39 2.917 -18.362 -35.586 1.00 74.00 H new ATOM 0 HA ASP A 39 0.692 -20.039 -36.018 1.00 65.43 H new ATOM 0 HB2 ASP A 39 3.639 -20.730 -35.665 1.00 21.52 H new ATOM 0 HB3 ASP A 39 2.427 -21.771 -36.386 1.00 21.52 H new ATOM 635 N SER A 40 0.987 -21.966 -34.173 1.00 2.11 N ATOM 636 CA SER A 40 0.732 -22.743 -32.966 1.00 4.04 C ATOM 637 C SER A 40 2.034 -23.291 -32.388 1.00 34.32 C ATOM 638 O SER A 40 2.318 -23.126 -31.201 1.00 32.24 O ATOM 639 CB SER A 40 -0.230 -23.894 -33.268 1.00 5.43 C ATOM 640 OG SER A 40 0.371 -24.849 -34.124 1.00 64.15 O ATOM 0 H SER A 40 0.821 -22.472 -35.043 1.00 2.11 H new ATOM 0 HA SER A 40 0.276 -22.083 -32.228 1.00 4.04 H new ATOM 0 HB2 SER A 40 -0.531 -24.374 -32.337 1.00 5.43 H new ATOM 0 HB3 SER A 40 -1.135 -23.503 -33.733 1.00 5.43 H new ATOM 0 HG SER A 40 -0.263 -25.575 -34.300 1.00 64.15 H new ATOM 646 N LEU A 41 2.821 -23.944 -33.235 1.00 72.43 N ATOM 647 CA LEU A 41 4.093 -24.518 -32.811 1.00 21.13 C ATOM 648 C LEU A 41 5.017 -23.441 -32.251 1.00 54.32 C ATOM 649 O LEU A 41 5.875 -23.718 -31.413 1.00 73.52 O ATOM 650 CB LEU A 41 4.771 -25.229 -33.983 1.00 44.43 C ATOM 651 CG LEU A 41 5.468 -24.327 -35.002 1.00 45.53 C ATOM 652 CD1 LEU A 41 6.322 -25.153 -35.951 1.00 71.34 C ATOM 653 CD2 LEU A 41 4.446 -23.508 -35.777 1.00 42.21 C ATOM 0 H LEU A 41 2.601 -24.089 -34.220 1.00 72.43 H new ATOM 0 HA LEU A 41 3.891 -25.243 -32.023 1.00 21.13 H new ATOM 0 HB2 LEU A 41 5.506 -25.927 -33.582 1.00 44.43 H new ATOM 0 HB3 LEU A 41 4.020 -25.822 -34.506 1.00 44.43 H new ATOM 0 HG LEU A 41 6.121 -23.640 -34.463 1.00 45.53 H new ATOM 0 HD11 LEU A 41 6.810 -24.494 -36.669 1.00 71.34 H new ATOM 0 HD12 LEU A 41 7.079 -25.694 -35.382 1.00 71.34 H new ATOM 0 HD13 LEU A 41 5.690 -25.864 -36.483 1.00 71.34 H new ATOM 0 HD21 LEU A 41 4.960 -22.872 -36.498 1.00 42.21 H new ATOM 0 HD22 LEU A 41 3.767 -24.178 -36.304 1.00 42.21 H new ATOM 0 HD23 LEU A 41 3.878 -22.886 -35.085 1.00 42.21 H new ATOM 665 N ASP A 42 4.833 -22.211 -32.718 1.00 42.25 N ATOM 666 CA ASP A 42 5.648 -21.090 -32.263 1.00 34.35 C ATOM 667 C ASP A 42 5.156 -20.575 -30.914 1.00 1.25 C ATOM 668 O ASP A 42 5.948 -20.336 -30.001 1.00 43.34 O ATOM 669 CB ASP A 42 5.623 -19.961 -33.294 1.00 33.12 C ATOM 670 CG ASP A 42 6.099 -20.414 -34.660 1.00 31.20 C ATOM 671 OD1 ASP A 42 6.787 -21.454 -34.734 1.00 43.21 O ATOM 672 OD2 ASP A 42 5.783 -19.730 -35.655 1.00 54.31 O ATOM 0 H ASP A 42 4.127 -21.965 -33.411 1.00 42.25 H new ATOM 0 HA ASP A 42 6.673 -21.441 -32.147 1.00 34.35 H new ATOM 0 HB2 ASP A 42 4.609 -19.571 -33.377 1.00 33.12 H new ATOM 0 HB3 ASP A 42 6.252 -19.142 -32.947 1.00 33.12 H new ATOM 677 N THR A 43 3.843 -20.404 -30.793 1.00 61.25 N ATOM 678 CA THR A 43 3.246 -19.915 -29.557 1.00 52.14 C ATOM 679 C THR A 43 3.597 -20.819 -28.382 1.00 34.44 C ATOM 680 O THR A 43 3.566 -20.394 -27.227 1.00 14.41 O ATOM 681 CB THR A 43 1.713 -19.816 -29.675 1.00 21.02 C ATOM 682 OG1 THR A 43 1.225 -20.819 -30.573 1.00 51.52 O ATOM 683 CG2 THR A 43 1.296 -18.439 -30.168 1.00 51.15 C ATOM 0 H THR A 43 3.173 -20.597 -31.537 1.00 61.25 H new ATOM 0 HA THR A 43 3.654 -18.920 -29.380 1.00 52.14 H new ATOM 0 HB THR A 43 1.283 -19.975 -28.686 1.00 21.02 H new ATOM 0 HG1 THR A 43 1.724 -21.651 -30.437 1.00 51.52 H new ATOM 0 HG21 THR A 43 0.210 -18.393 -30.243 1.00 51.15 H new ATOM 0 HG22 THR A 43 1.643 -17.681 -29.466 1.00 51.15 H new ATOM 0 HG23 THR A 43 1.736 -18.255 -31.148 1.00 51.15 H new ATOM 691 N VAL A 44 3.931 -22.070 -28.682 1.00 63.23 N ATOM 692 CA VAL A 44 4.290 -23.035 -27.650 1.00 2.14 C ATOM 693 C VAL A 44 5.394 -22.491 -26.749 1.00 73.12 C ATOM 694 O VAL A 44 5.249 -22.454 -25.528 1.00 23.52 O ATOM 695 CB VAL A 44 4.755 -24.368 -28.264 1.00 71.55 C ATOM 696 CG1 VAL A 44 5.156 -25.349 -27.173 1.00 11.11 C ATOM 697 CG2 VAL A 44 3.664 -24.957 -29.147 1.00 1.25 C ATOM 0 H VAL A 44 3.960 -22.439 -29.632 1.00 63.23 H new ATOM 0 HA VAL A 44 3.393 -23.211 -27.056 1.00 2.14 H new ATOM 0 HB VAL A 44 5.630 -24.176 -28.885 1.00 71.55 H new ATOM 0 HG11 VAL A 44 5.482 -26.285 -27.627 1.00 11.11 H new ATOM 0 HG12 VAL A 44 5.972 -24.927 -26.586 1.00 11.11 H new ATOM 0 HG13 VAL A 44 4.302 -25.539 -26.523 1.00 11.11 H new ATOM 0 HG21 VAL A 44 4.010 -25.899 -29.573 1.00 1.25 H new ATOM 0 HG22 VAL A 44 2.769 -25.135 -28.550 1.00 1.25 H new ATOM 0 HG23 VAL A 44 3.431 -24.259 -29.951 1.00 1.25 H new ATOM 707 N GLU A 45 6.496 -22.069 -27.362 1.00 34.24 N ATOM 708 CA GLU A 45 7.624 -21.527 -26.614 1.00 62.22 C ATOM 709 C GLU A 45 7.412 -20.048 -26.304 1.00 73.24 C ATOM 710 O GLU A 45 7.669 -19.592 -25.189 1.00 71.52 O ATOM 711 CB GLU A 45 8.923 -21.713 -27.402 1.00 33.10 C ATOM 712 CG GLU A 45 10.123 -21.031 -26.767 1.00 52.00 C ATOM 713 CD GLU A 45 11.435 -21.452 -27.400 1.00 2.35 C ATOM 714 OE1 GLU A 45 11.597 -21.246 -28.621 1.00 3.13 O ATOM 715 OE2 GLU A 45 12.300 -21.987 -26.674 1.00 55.53 O ATOM 0 H GLU A 45 6.631 -22.092 -28.373 1.00 34.24 H new ATOM 0 HA GLU A 45 7.697 -22.071 -25.672 1.00 62.22 H new ATOM 0 HB2 GLU A 45 9.130 -22.779 -27.498 1.00 33.10 H new ATOM 0 HB3 GLU A 45 8.785 -21.323 -28.410 1.00 33.10 H new ATOM 0 HG2 GLU A 45 10.011 -19.950 -26.856 1.00 52.00 H new ATOM 0 HG3 GLU A 45 10.147 -21.263 -25.702 1.00 52.00 H new ATOM 722 N LEU A 46 6.941 -19.303 -27.299 1.00 24.34 N ATOM 723 CA LEU A 46 6.694 -17.875 -27.134 1.00 22.10 C ATOM 724 C LEU A 46 5.821 -17.611 -25.912 1.00 10.14 C ATOM 725 O LEU A 46 6.161 -16.791 -25.059 1.00 63.30 O ATOM 726 CB LEU A 46 6.025 -17.306 -28.386 1.00 14.41 C ATOM 727 CG LEU A 46 6.842 -17.379 -29.676 1.00 53.23 C ATOM 728 CD1 LEU A 46 5.980 -17.014 -30.875 1.00 70.32 C ATOM 729 CD2 LEU A 46 8.055 -16.464 -29.592 1.00 22.43 C ATOM 0 H LEU A 46 6.723 -19.664 -28.228 1.00 24.34 H new ATOM 0 HA LEU A 46 7.654 -17.380 -26.985 1.00 22.10 H new ATOM 0 HB2 LEU A 46 5.086 -17.836 -28.544 1.00 14.41 H new ATOM 0 HB3 LEU A 46 5.774 -16.262 -28.197 1.00 14.41 H new ATOM 0 HG LEU A 46 7.192 -18.403 -29.804 1.00 53.23 H new ATOM 0 HD11 LEU A 46 6.578 -17.071 -31.784 1.00 70.32 H new ATOM 0 HD12 LEU A 46 5.143 -17.709 -30.947 1.00 70.32 H new ATOM 0 HD13 LEU A 46 5.600 -16.000 -30.754 1.00 70.32 H new ATOM 0 HD21 LEU A 46 8.625 -16.529 -30.519 1.00 22.43 H new ATOM 0 HD22 LEU A 46 7.726 -15.436 -29.440 1.00 22.43 H new ATOM 0 HD23 LEU A 46 8.685 -16.771 -28.757 1.00 22.43 H new ATOM 741 N MET A 47 4.695 -18.312 -25.832 1.00 60.54 N ATOM 742 CA MET A 47 3.775 -18.156 -24.712 1.00 53.10 C ATOM 743 C MET A 47 4.348 -18.783 -23.446 1.00 23.45 C ATOM 744 O MET A 47 4.007 -18.382 -22.334 1.00 13.15 O ATOM 745 CB MET A 47 2.423 -18.791 -25.042 1.00 54.24 C ATOM 746 CG MET A 47 1.750 -18.187 -26.265 1.00 21.04 C ATOM 747 SD MET A 47 0.058 -18.770 -26.485 1.00 41.34 S ATOM 748 CE MET A 47 0.284 -20.538 -26.316 1.00 63.30 C ATOM 0 H MET A 47 4.398 -18.994 -26.530 1.00 60.54 H new ATOM 0 HA MET A 47 3.634 -17.089 -24.536 1.00 53.10 H new ATOM 0 HB2 MET A 47 2.563 -19.860 -25.205 1.00 54.24 H new ATOM 0 HB3 MET A 47 1.761 -18.684 -24.183 1.00 54.24 H new ATOM 0 HG2 MET A 47 1.747 -17.101 -26.174 1.00 21.04 H new ATOM 0 HG3 MET A 47 2.333 -18.431 -27.153 1.00 21.04 H new ATOM 0 HE1 MET A 47 -0.526 -21.059 -26.827 1.00 63.30 H new ATOM 0 HE2 MET A 47 1.238 -20.827 -26.758 1.00 63.30 H new ATOM 0 HE3 MET A 47 0.278 -20.806 -25.260 1.00 63.30 H new ATOM 758 N MET A 48 5.221 -19.770 -23.622 1.00 41.12 N ATOM 759 CA MET A 48 5.842 -20.452 -22.493 1.00 3.35 C ATOM 760 C MET A 48 6.765 -19.508 -21.728 1.00 51.52 C ATOM 761 O MET A 48 6.871 -19.584 -20.505 1.00 14.24 O ATOM 762 CB MET A 48 6.629 -21.672 -22.975 1.00 54.15 C ATOM 763 CG MET A 48 7.490 -22.307 -21.895 1.00 55.53 C ATOM 764 SD MET A 48 6.515 -22.977 -20.535 1.00 74.50 S ATOM 765 CE MET A 48 7.755 -23.080 -19.247 1.00 44.53 C ATOM 0 H MET A 48 5.514 -20.115 -24.536 1.00 41.12 H new ATOM 0 HA MET A 48 5.050 -20.782 -21.821 1.00 3.35 H new ATOM 0 HB2 MET A 48 5.931 -22.417 -23.356 1.00 54.15 H new ATOM 0 HB3 MET A 48 7.266 -21.377 -23.809 1.00 54.15 H new ATOM 0 HG2 MET A 48 8.089 -23.104 -22.335 1.00 55.53 H new ATOM 0 HG3 MET A 48 8.186 -21.563 -21.506 1.00 55.53 H new ATOM 0 HE1 MET A 48 7.871 -24.118 -18.936 1.00 44.53 H new ATOM 0 HE2 MET A 48 8.706 -22.707 -19.627 1.00 44.53 H new ATOM 0 HE3 MET A 48 7.444 -22.478 -18.393 1.00 44.53 H new ATOM 775 N ALA A 49 7.431 -18.619 -22.458 1.00 52.40 N ATOM 776 CA ALA A 49 8.343 -17.659 -21.848 1.00 72.01 C ATOM 777 C ALA A 49 7.621 -16.791 -20.822 1.00 64.44 C ATOM 778 O ALA A 49 8.248 -16.215 -19.932 1.00 71.44 O ATOM 779 CB ALA A 49 8.987 -16.790 -22.918 1.00 1.32 C ATOM 0 H ALA A 49 7.356 -18.544 -23.472 1.00 52.40 H new ATOM 0 HA ALA A 49 9.123 -18.215 -21.329 1.00 72.01 H new ATOM 0 HB1 ALA A 49 9.666 -16.078 -22.449 1.00 1.32 H new ATOM 0 HB2 ALA A 49 9.545 -17.420 -23.611 1.00 1.32 H new ATOM 0 HB3 ALA A 49 8.213 -16.249 -23.462 1.00 1.32 H new ATOM 785 N ILE A 50 6.302 -16.702 -20.953 1.00 42.13 N ATOM 786 CA ILE A 50 5.496 -15.904 -20.037 1.00 64.41 C ATOM 787 C ILE A 50 5.350 -16.599 -18.687 1.00 54.34 C ATOM 788 O ILE A 50 5.097 -15.953 -17.671 1.00 3.11 O ATOM 789 CB ILE A 50 4.096 -15.627 -20.614 1.00 73.54 C ATOM 790 CG1 ILE A 50 4.206 -14.859 -21.933 1.00 64.51 C ATOM 791 CG2 ILE A 50 3.254 -14.852 -19.612 1.00 52.34 C ATOM 792 CD1 ILE A 50 4.792 -13.473 -21.778 1.00 20.51 C ATOM 0 H ILE A 50 5.769 -17.172 -21.684 1.00 42.13 H new ATOM 0 HA ILE A 50 6.017 -14.956 -19.901 1.00 64.41 H new ATOM 0 HB ILE A 50 3.606 -16.580 -20.811 1.00 73.54 H new ATOM 0 HG12 ILE A 50 4.823 -15.430 -22.626 1.00 64.51 H new ATOM 0 HG13 ILE A 50 3.215 -14.778 -22.381 1.00 64.51 H new ATOM 0 HG21 ILE A 50 2.267 -14.664 -20.035 1.00 52.34 H new ATOM 0 HG22 ILE A 50 3.152 -15.434 -18.696 1.00 52.34 H new ATOM 0 HG23 ILE A 50 3.739 -13.902 -19.386 1.00 52.34 H new ATOM 0 HD11 ILE A 50 4.840 -12.987 -22.753 1.00 20.51 H new ATOM 0 HD12 ILE A 50 4.163 -12.885 -21.110 1.00 20.51 H new ATOM 0 HD13 ILE A 50 5.796 -13.547 -21.360 1.00 20.51 H new ATOM 804 N GLU A 51 5.511 -17.918 -18.686 1.00 62.31 N ATOM 805 CA GLU A 51 5.397 -18.700 -17.460 1.00 44.13 C ATOM 806 C GLU A 51 6.710 -18.685 -16.682 1.00 12.02 C ATOM 807 O GLU A 51 6.717 -18.560 -15.457 1.00 73.11 O ATOM 808 CB GLU A 51 5.000 -20.142 -17.784 1.00 12.45 C ATOM 809 CG GLU A 51 3.521 -20.312 -18.088 1.00 12.53 C ATOM 810 CD GLU A 51 3.202 -20.121 -19.558 1.00 31.12 C ATOM 811 OE1 GLU A 51 3.011 -18.961 -19.979 1.00 33.23 O ATOM 812 OE2 GLU A 51 3.144 -21.133 -20.288 1.00 31.15 O ATOM 0 H GLU A 51 5.721 -18.468 -19.519 1.00 62.31 H new ATOM 0 HA GLU A 51 4.622 -18.248 -16.841 1.00 44.13 H new ATOM 0 HB2 GLU A 51 5.580 -20.486 -18.640 1.00 12.45 H new ATOM 0 HB3 GLU A 51 5.265 -20.781 -16.942 1.00 12.45 H new ATOM 0 HG2 GLU A 51 3.202 -21.307 -17.777 1.00 12.53 H new ATOM 0 HG3 GLU A 51 2.948 -19.595 -17.500 1.00 12.53 H new ATOM 819 N VAL A 52 7.820 -18.814 -17.402 1.00 13.12 N ATOM 820 CA VAL A 52 9.138 -18.815 -16.780 1.00 45.01 C ATOM 821 C VAL A 52 9.560 -17.405 -16.384 1.00 4.50 C ATOM 822 O VAL A 52 10.440 -17.223 -15.543 1.00 42.12 O ATOM 823 CB VAL A 52 10.202 -19.412 -17.721 1.00 10.02 C ATOM 824 CG1 VAL A 52 9.982 -20.907 -17.895 1.00 2.01 C ATOM 825 CG2 VAL A 52 10.182 -18.702 -19.066 1.00 1.42 C ATOM 0 H VAL A 52 7.832 -18.919 -18.416 1.00 13.12 H new ATOM 0 HA VAL A 52 9.065 -19.434 -15.886 1.00 45.01 H new ATOM 0 HB VAL A 52 11.184 -19.263 -17.272 1.00 10.02 H new ATOM 0 HG11 VAL A 52 10.743 -21.311 -18.563 1.00 2.01 H new ATOM 0 HG12 VAL A 52 10.051 -21.400 -16.925 1.00 2.01 H new ATOM 0 HG13 VAL A 52 8.994 -21.082 -18.322 1.00 2.01 H new ATOM 0 HG21 VAL A 52 10.940 -19.136 -19.718 1.00 1.42 H new ATOM 0 HG22 VAL A 52 9.200 -18.818 -19.524 1.00 1.42 H new ATOM 0 HG23 VAL A 52 10.392 -17.642 -18.921 1.00 1.42 H new ATOM 835 N GLU A 53 8.926 -16.409 -16.996 1.00 20.24 N ATOM 836 CA GLU A 53 9.237 -15.014 -16.706 1.00 74.13 C ATOM 837 C GLU A 53 8.454 -14.523 -15.492 1.00 21.13 C ATOM 838 O GLU A 53 9.034 -14.027 -14.526 1.00 13.45 O ATOM 839 CB GLU A 53 8.921 -14.136 -17.919 1.00 60.11 C ATOM 840 CG GLU A 53 9.379 -12.696 -17.763 1.00 53.33 C ATOM 841 CD GLU A 53 10.756 -12.586 -17.139 1.00 44.55 C ATOM 842 OE1 GLU A 53 11.724 -13.095 -17.743 1.00 11.53 O ATOM 843 OE2 GLU A 53 10.867 -11.989 -16.047 1.00 75.55 O ATOM 0 H GLU A 53 8.195 -16.542 -17.695 1.00 20.24 H new ATOM 0 HA GLU A 53 10.302 -14.944 -16.483 1.00 74.13 H new ATOM 0 HB2 GLU A 53 9.395 -14.566 -18.801 1.00 60.11 H new ATOM 0 HB3 GLU A 53 7.846 -14.149 -18.096 1.00 60.11 H new ATOM 0 HG2 GLU A 53 9.388 -12.214 -18.740 1.00 53.33 H new ATOM 0 HG3 GLU A 53 8.661 -12.155 -17.147 1.00 53.33 H new ATOM 850 N TYR A 54 7.135 -14.665 -15.549 1.00 14.11 N ATOM 851 CA TYR A 54 6.272 -14.234 -14.456 1.00 15.52 C ATOM 852 C TYR A 54 6.289 -15.247 -13.316 1.00 13.05 C ATOM 853 O TYR A 54 6.035 -14.905 -12.161 1.00 41.54 O ATOM 854 CB TYR A 54 4.840 -14.036 -14.956 1.00 74.31 C ATOM 855 CG TYR A 54 4.531 -12.613 -15.364 1.00 62.40 C ATOM 856 CD1 TYR A 54 4.602 -11.575 -14.444 1.00 2.12 C ATOM 857 CD2 TYR A 54 4.170 -12.307 -16.670 1.00 72.44 C ATOM 858 CE1 TYR A 54 4.321 -10.274 -14.812 1.00 54.31 C ATOM 859 CE2 TYR A 54 3.888 -11.009 -17.048 1.00 51.20 C ATOM 860 CZ TYR A 54 3.964 -9.996 -16.115 1.00 41.42 C ATOM 861 OH TYR A 54 3.684 -8.700 -16.486 1.00 62.44 O ATOM 0 H TYR A 54 6.640 -15.075 -16.341 1.00 14.11 H new ATOM 0 HA TYR A 54 6.653 -13.285 -14.080 1.00 15.52 H new ATOM 0 HB2 TYR A 54 4.667 -14.695 -15.807 1.00 74.31 H new ATOM 0 HB3 TYR A 54 4.146 -14.339 -14.172 1.00 74.31 H new ATOM 0 HD1 TYR A 54 4.882 -11.789 -13.423 1.00 2.12 H new ATOM 0 HD2 TYR A 54 4.109 -13.098 -17.403 1.00 72.44 H new ATOM 0 HE1 TYR A 54 4.380 -9.479 -14.084 1.00 54.31 H new ATOM 0 HE2 TYR A 54 3.610 -10.788 -18.068 1.00 51.20 H new ATOM 0 HH TYR A 54 3.451 -8.675 -17.437 1.00 62.44 H new ATOM 871 N GLY A 55 6.591 -16.498 -13.649 1.00 32.21 N ATOM 872 CA GLY A 55 6.637 -17.543 -12.643 1.00 74.52 C ATOM 873 C GLY A 55 5.265 -18.109 -12.332 1.00 1.22 C ATOM 874 O GLY A 55 5.057 -18.702 -11.273 1.00 70.31 O ATOM 0 H GLY A 55 6.805 -16.807 -14.597 1.00 32.21 H new ATOM 0 HA2 GLY A 55 7.289 -18.346 -12.987 1.00 74.52 H new ATOM 0 HA3 GLY A 55 7.078 -17.144 -11.729 1.00 74.52 H new ATOM 878 N ILE A 56 4.327 -17.924 -13.254 1.00 41.45 N ATOM 879 CA ILE A 56 2.969 -18.419 -13.072 1.00 75.33 C ATOM 880 C ILE A 56 2.603 -19.432 -14.152 1.00 65.12 C ATOM 881 O ILE A 56 3.429 -19.779 -14.997 1.00 24.54 O ATOM 882 CB ILE A 56 1.943 -17.271 -13.093 1.00 54.15 C ATOM 883 CG1 ILE A 56 2.025 -16.509 -14.418 1.00 0.45 C ATOM 884 CG2 ILE A 56 2.175 -16.331 -11.920 1.00 21.33 C ATOM 885 CD1 ILE A 56 0.773 -15.723 -14.742 1.00 25.34 C ATOM 0 H ILE A 56 4.483 -17.435 -14.135 1.00 41.45 H new ATOM 0 HA ILE A 56 2.939 -18.904 -12.096 1.00 75.33 H new ATOM 0 HB ILE A 56 0.943 -17.695 -13.000 1.00 54.15 H new ATOM 0 HG12 ILE A 56 2.874 -15.826 -14.383 1.00 0.45 H new ATOM 0 HG13 ILE A 56 2.218 -17.217 -15.224 1.00 0.45 H new ATOM 0 HG21 ILE A 56 1.442 -15.525 -11.949 1.00 21.33 H new ATOM 0 HG22 ILE A 56 2.071 -16.883 -10.986 1.00 21.33 H new ATOM 0 HG23 ILE A 56 3.179 -15.911 -11.983 1.00 21.33 H new ATOM 0 HD11 ILE A 56 0.903 -15.209 -15.694 1.00 25.34 H new ATOM 0 HD12 ILE A 56 -0.076 -16.403 -14.809 1.00 25.34 H new ATOM 0 HD13 ILE A 56 0.590 -14.990 -13.956 1.00 25.34 H new ATOM 897 N ASP A 57 1.361 -19.901 -14.120 1.00 51.10 N ATOM 898 CA ASP A 57 0.885 -20.872 -15.098 1.00 75.10 C ATOM 899 C ASP A 57 -0.310 -20.323 -15.871 1.00 73.05 C ATOM 900 O ASP A 57 -1.155 -19.622 -15.313 1.00 22.53 O ATOM 901 CB ASP A 57 0.501 -22.180 -14.404 1.00 64.34 C ATOM 902 CG ASP A 57 1.551 -22.637 -13.410 1.00 75.20 C ATOM 903 OD1 ASP A 57 2.518 -23.304 -13.833 1.00 73.00 O ATOM 904 OD2 ASP A 57 1.404 -22.329 -12.209 1.00 10.25 O ATOM 0 H ASP A 57 0.665 -19.625 -13.427 1.00 51.10 H new ATOM 0 HA ASP A 57 1.693 -21.067 -15.803 1.00 75.10 H new ATOM 0 HB2 ASP A 57 -0.451 -22.049 -13.889 1.00 64.34 H new ATOM 0 HB3 ASP A 57 0.353 -22.956 -15.155 1.00 64.34 H new ATOM 909 N ILE A 58 -0.374 -20.645 -17.159 1.00 45.00 N ATOM 910 CA ILE A 58 -1.465 -20.184 -18.008 1.00 44.15 C ATOM 911 C ILE A 58 -1.857 -21.250 -19.026 1.00 14.22 C ATOM 912 O ILE A 58 -1.264 -21.369 -20.098 1.00 40.40 O ATOM 913 CB ILE A 58 -1.089 -18.891 -18.756 1.00 5.23 C ATOM 914 CG1 ILE A 58 -0.735 -17.785 -17.759 1.00 52.45 C ATOM 915 CG2 ILE A 58 -2.230 -18.451 -19.661 1.00 25.30 C ATOM 916 CD1 ILE A 58 0.727 -17.763 -17.374 1.00 23.32 C ATOM 0 H ILE A 58 0.317 -21.223 -17.637 1.00 45.00 H new ATOM 0 HA ILE A 58 -2.311 -19.982 -17.352 1.00 44.15 H new ATOM 0 HB ILE A 58 -0.215 -19.089 -19.377 1.00 5.23 H new ATOM 0 HG12 ILE A 58 -1.004 -16.820 -18.189 1.00 52.45 H new ATOM 0 HG13 ILE A 58 -1.337 -17.912 -16.859 1.00 52.45 H new ATOM 0 HG21 ILE A 58 -1.949 -17.536 -20.182 1.00 25.30 H new ATOM 0 HG22 ILE A 58 -2.439 -19.234 -20.390 1.00 25.30 H new ATOM 0 HG23 ILE A 58 -3.121 -18.267 -19.060 1.00 25.30 H new ATOM 0 HD11 ILE A 58 0.904 -16.954 -16.665 1.00 23.32 H new ATOM 0 HD12 ILE A 58 0.997 -18.714 -16.914 1.00 23.32 H new ATOM 0 HD13 ILE A 58 1.335 -17.605 -18.265 1.00 23.32 H new ATOM 928 N PRO A 59 -2.883 -22.044 -18.685 1.00 11.22 N ATOM 929 CA PRO A 59 -3.380 -23.113 -19.556 1.00 14.21 C ATOM 930 C PRO A 59 -4.085 -22.570 -20.795 1.00 24.51 C ATOM 931 O PRO A 59 -4.455 -21.398 -20.846 1.00 54.44 O ATOM 932 CB PRO A 59 -4.371 -23.865 -18.664 1.00 72.21 C ATOM 933 CG PRO A 59 -4.818 -22.858 -17.661 1.00 71.41 C ATOM 934 CD PRO A 59 -3.637 -21.959 -17.423 1.00 1.14 C ATOM 0 HA PRO A 59 -2.572 -23.736 -19.939 1.00 14.21 H new ATOM 0 HB2 PRO A 59 -5.212 -24.248 -19.242 1.00 72.21 H new ATOM 0 HB3 PRO A 59 -3.899 -24.721 -18.182 1.00 72.21 H new ATOM 0 HG2 PRO A 59 -5.672 -22.291 -18.031 1.00 71.41 H new ATOM 0 HG3 PRO A 59 -5.133 -23.341 -16.736 1.00 71.41 H new ATOM 0 HD2 PRO A 59 -3.947 -20.936 -17.209 1.00 1.14 H new ATOM 0 HD3 PRO A 59 -3.040 -22.295 -16.575 1.00 1.14 H new ATOM 942 N ASP A 60 -4.266 -23.431 -21.791 1.00 11.23 N ATOM 943 CA ASP A 60 -4.928 -23.038 -23.030 1.00 23.15 C ATOM 944 C ASP A 60 -6.265 -22.363 -22.741 1.00 41.10 C ATOM 945 O ASP A 60 -6.681 -21.455 -23.461 1.00 74.41 O ATOM 946 CB ASP A 60 -5.141 -24.258 -23.928 1.00 12.45 C ATOM 947 CG ASP A 60 -6.150 -23.996 -25.028 1.00 72.44 C ATOM 948 OD1 ASP A 60 -7.365 -24.092 -24.754 1.00 44.25 O ATOM 949 OD2 ASP A 60 -5.725 -23.697 -26.164 1.00 74.33 O ATOM 0 H ASP A 60 -3.964 -24.405 -21.765 1.00 11.23 H new ATOM 0 HA ASP A 60 -4.286 -22.324 -23.546 1.00 23.15 H new ATOM 0 HB2 ASP A 60 -4.189 -24.549 -24.373 1.00 12.45 H new ATOM 0 HB3 ASP A 60 -5.479 -25.098 -23.321 1.00 12.45 H new ATOM 954 N ASP A 61 -6.933 -22.813 -21.685 1.00 0.34 N ATOM 955 CA ASP A 61 -8.223 -22.252 -21.301 1.00 34.33 C ATOM 956 C ASP A 61 -8.100 -20.763 -20.994 1.00 44.04 C ATOM 957 O ASP A 61 -9.002 -19.981 -21.294 1.00 24.50 O ATOM 958 CB ASP A 61 -8.783 -22.991 -20.084 1.00 24.12 C ATOM 959 CG ASP A 61 -9.570 -24.228 -20.469 1.00 14.20 C ATOM 960 OD1 ASP A 61 -9.168 -24.912 -21.433 1.00 44.34 O ATOM 961 OD2 ASP A 61 -10.589 -24.512 -19.806 1.00 31.25 O ATOM 0 H ASP A 61 -6.603 -23.565 -21.080 1.00 0.34 H new ATOM 0 HA ASP A 61 -8.908 -22.376 -22.140 1.00 34.33 H new ATOM 0 HB2 ASP A 61 -7.962 -23.277 -19.427 1.00 24.12 H new ATOM 0 HB3 ASP A 61 -9.425 -22.317 -19.517 1.00 24.12 H new ATOM 966 N GLU A 62 -6.977 -20.378 -20.395 1.00 70.41 N ATOM 967 CA GLU A 62 -6.737 -18.983 -20.047 1.00 12.12 C ATOM 968 C GLU A 62 -5.716 -18.355 -20.990 1.00 43.53 C ATOM 969 O GLU A 62 -5.215 -17.259 -20.739 1.00 42.12 O ATOM 970 CB GLU A 62 -6.248 -18.872 -18.601 1.00 55.31 C ATOM 971 CG GLU A 62 -7.143 -19.583 -17.600 1.00 22.22 C ATOM 972 CD GLU A 62 -8.483 -18.896 -17.423 1.00 40.02 C ATOM 973 OE1 GLU A 62 -8.562 -17.677 -17.681 1.00 52.44 O ATOM 974 OE2 GLU A 62 -9.452 -19.577 -17.027 1.00 2.30 O ATOM 0 H GLU A 62 -6.220 -21.013 -20.141 1.00 70.41 H new ATOM 0 HA GLU A 62 -7.679 -18.443 -20.147 1.00 12.12 H new ATOM 0 HB2 GLU A 62 -5.242 -19.285 -18.534 1.00 55.31 H new ATOM 0 HB3 GLU A 62 -6.179 -17.819 -18.330 1.00 55.31 H new ATOM 0 HG2 GLU A 62 -7.306 -20.609 -17.929 1.00 22.22 H new ATOM 0 HG3 GLU A 62 -6.635 -19.634 -16.637 1.00 22.22 H new ATOM 981 N ALA A 63 -5.412 -19.057 -22.077 1.00 24.24 N ATOM 982 CA ALA A 63 -4.452 -18.569 -23.059 1.00 4.44 C ATOM 983 C ALA A 63 -4.891 -17.227 -23.635 1.00 43.11 C ATOM 984 O ALA A 63 -4.060 -16.392 -23.996 1.00 32.21 O ATOM 985 CB ALA A 63 -4.269 -19.590 -24.172 1.00 15.51 C ATOM 0 H ALA A 63 -5.817 -19.966 -22.300 1.00 24.24 H new ATOM 0 HA ALA A 63 -3.496 -18.423 -22.555 1.00 4.44 H new ATOM 0 HB1 ALA A 63 -3.549 -19.212 -24.898 1.00 15.51 H new ATOM 0 HB2 ALA A 63 -3.902 -20.526 -23.751 1.00 15.51 H new ATOM 0 HB3 ALA A 63 -5.225 -19.765 -24.666 1.00 15.51 H new ATOM 991 N THR A 64 -6.202 -17.025 -23.720 1.00 70.23 N ATOM 992 CA THR A 64 -6.751 -15.786 -24.255 1.00 15.31 C ATOM 993 C THR A 64 -7.156 -14.835 -23.134 1.00 3.10 C ATOM 994 O THR A 64 -7.910 -13.887 -23.352 1.00 14.14 O ATOM 995 CB THR A 64 -7.975 -16.054 -25.151 1.00 71.12 C ATOM 996 OG1 THR A 64 -9.098 -16.433 -24.347 1.00 63.10 O ATOM 997 CG2 THR A 64 -7.675 -17.151 -26.162 1.00 14.02 C ATOM 0 H THR A 64 -6.903 -17.704 -23.425 1.00 70.23 H new ATOM 0 HA THR A 64 -5.965 -15.325 -24.854 1.00 15.31 H new ATOM 0 HB THR A 64 -8.210 -15.137 -25.692 1.00 71.12 H new ATOM 0 HG1 THR A 64 -9.872 -16.600 -24.924 1.00 63.10 H new ATOM 0 HG21 THR A 64 -8.554 -17.323 -26.784 1.00 14.02 H new ATOM 0 HG22 THR A 64 -6.839 -16.847 -26.792 1.00 14.02 H new ATOM 0 HG23 THR A 64 -7.417 -18.070 -25.636 1.00 14.02 H new ATOM 1005 N LYS A 65 -6.648 -15.094 -21.933 1.00 54.45 N ATOM 1006 CA LYS A 65 -6.955 -14.260 -20.777 1.00 45.32 C ATOM 1007 C LYS A 65 -5.741 -13.432 -20.366 1.00 62.34 C ATOM 1008 O LYS A 65 -5.794 -12.675 -19.397 1.00 3.11 O ATOM 1009 CB LYS A 65 -7.414 -15.128 -19.604 1.00 21.03 C ATOM 1010 CG LYS A 65 -8.410 -14.437 -18.689 1.00 55.02 C ATOM 1011 CD LYS A 65 -9.757 -14.254 -19.369 1.00 32.33 C ATOM 1012 CE LYS A 65 -10.644 -15.476 -19.185 1.00 54.01 C ATOM 1013 NZ LYS A 65 -11.029 -15.673 -17.760 1.00 23.21 N ATOM 0 H LYS A 65 -6.022 -15.875 -21.735 1.00 54.45 H new ATOM 0 HA LYS A 65 -7.760 -13.580 -21.054 1.00 45.32 H new ATOM 0 HB2 LYS A 65 -7.864 -16.041 -19.993 1.00 21.03 H new ATOM 0 HB3 LYS A 65 -6.543 -15.425 -19.020 1.00 21.03 H new ATOM 0 HG2 LYS A 65 -8.537 -15.023 -17.779 1.00 55.02 H new ATOM 0 HG3 LYS A 65 -8.017 -13.465 -18.390 1.00 55.02 H new ATOM 0 HD2 LYS A 65 -10.256 -13.376 -18.960 1.00 32.33 H new ATOM 0 HD3 LYS A 65 -9.607 -14.069 -20.433 1.00 32.33 H new ATOM 0 HE2 LYS A 65 -11.543 -15.367 -19.792 1.00 54.01 H new ATOM 0 HE3 LYS A 65 -10.121 -16.362 -19.546 1.00 54.01 H new ATOM 0 HZ1 LYS A 65 -11.990 -16.068 -17.711 1.00 23.21 H new ATOM 0 HZ2 LYS A 65 -10.361 -16.330 -17.308 1.00 23.21 H new ATOM 0 HZ3 LYS A 65 -11.005 -14.759 -17.264 1.00 23.21 H new ATOM 1027 N ILE A 66 -4.650 -13.581 -21.110 1.00 61.02 N ATOM 1028 CA ILE A 66 -3.425 -12.845 -20.824 1.00 64.21 C ATOM 1029 C ILE A 66 -2.705 -12.455 -22.110 1.00 43.34 C ATOM 1030 O ILE A 66 -1.538 -12.062 -22.088 1.00 12.33 O ATOM 1031 CB ILE A 66 -2.467 -13.668 -19.942 1.00 43.14 C ATOM 1032 CG1 ILE A 66 -1.671 -14.655 -20.799 1.00 72.11 C ATOM 1033 CG2 ILE A 66 -3.243 -14.403 -18.860 1.00 62.21 C ATOM 1034 CD1 ILE A 66 -2.538 -15.516 -21.691 1.00 30.22 C ATOM 0 H ILE A 66 -4.590 -14.205 -21.915 1.00 61.02 H new ATOM 0 HA ILE A 66 -3.717 -11.943 -20.286 1.00 64.21 H new ATOM 0 HB ILE A 66 -1.766 -12.987 -19.459 1.00 43.14 H new ATOM 0 HG12 ILE A 66 -0.966 -14.100 -21.418 1.00 72.11 H new ATOM 0 HG13 ILE A 66 -1.083 -15.300 -20.145 1.00 72.11 H new ATOM 0 HG21 ILE A 66 -2.552 -14.980 -18.245 1.00 62.21 H new ATOM 0 HG22 ILE A 66 -3.769 -13.681 -18.235 1.00 62.21 H new ATOM 0 HG23 ILE A 66 -3.965 -15.076 -19.323 1.00 62.21 H new ATOM 0 HD11 ILE A 66 -1.907 -16.191 -22.269 1.00 30.22 H new ATOM 0 HD12 ILE A 66 -3.226 -16.098 -21.078 1.00 30.22 H new ATOM 0 HD13 ILE A 66 -3.106 -14.880 -22.370 1.00 30.22 H new ATOM 1046 N LYS A 67 -3.408 -12.564 -23.232 1.00 54.12 N ATOM 1047 CA LYS A 67 -2.839 -12.220 -24.530 1.00 11.33 C ATOM 1048 C LYS A 67 -2.729 -10.707 -24.691 1.00 45.02 C ATOM 1049 O LYS A 67 -1.700 -10.192 -25.132 1.00 31.23 O ATOM 1050 CB LYS A 67 -3.696 -12.802 -25.656 1.00 64.32 C ATOM 1051 CG LYS A 67 -2.969 -12.894 -26.987 1.00 54.11 C ATOM 1052 CD LYS A 67 -2.534 -14.318 -27.288 1.00 20.32 C ATOM 1053 CE LYS A 67 -1.125 -14.589 -26.783 1.00 42.42 C ATOM 1054 NZ LYS A 67 -0.451 -15.661 -27.567 1.00 51.30 N ATOM 0 H LYS A 67 -4.374 -12.888 -23.269 1.00 54.12 H new ATOM 0 HA LYS A 67 -1.838 -12.648 -24.585 1.00 11.33 H new ATOM 0 HB2 LYS A 67 -4.035 -13.797 -25.367 1.00 64.32 H new ATOM 0 HB3 LYS A 67 -4.586 -12.186 -25.780 1.00 64.32 H new ATOM 0 HG2 LYS A 67 -3.621 -12.536 -27.784 1.00 54.11 H new ATOM 0 HG3 LYS A 67 -2.096 -12.242 -26.971 1.00 54.11 H new ATOM 0 HD2 LYS A 67 -3.229 -15.018 -26.824 1.00 20.32 H new ATOM 0 HD3 LYS A 67 -2.576 -14.493 -28.363 1.00 20.32 H new ATOM 0 HE2 LYS A 67 -0.537 -13.673 -26.840 1.00 42.42 H new ATOM 0 HE3 LYS A 67 -1.165 -14.878 -25.733 1.00 42.42 H new ATOM 0 HZ1 LYS A 67 -0.078 -16.383 -26.918 1.00 51.30 H new ATOM 0 HZ2 LYS A 67 -1.135 -16.099 -28.216 1.00 51.30 H new ATOM 0 HZ3 LYS A 67 0.332 -15.250 -28.115 1.00 51.30 H new ATOM 1068 N THR A 68 -3.794 -9.998 -24.331 1.00 30.23 N ATOM 1069 CA THR A 68 -3.816 -8.545 -24.435 1.00 53.23 C ATOM 1070 C THR A 68 -3.145 -7.896 -23.230 1.00 71.40 C ATOM 1071 O THR A 68 -2.986 -8.524 -22.183 1.00 32.11 O ATOM 1072 CB THR A 68 -5.257 -8.012 -24.555 1.00 23.13 C ATOM 1073 OG1 THR A 68 -6.183 -8.994 -24.078 1.00 73.43 O ATOM 1074 CG2 THR A 68 -5.584 -7.656 -25.997 1.00 32.10 C ATOM 0 H THR A 68 -4.653 -10.407 -23.964 1.00 30.23 H new ATOM 0 HA THR A 68 -3.264 -8.285 -25.338 1.00 53.23 H new ATOM 0 HB THR A 68 -5.340 -7.110 -23.948 1.00 23.13 H new ATOM 0 HG1 THR A 68 -7.097 -8.654 -24.171 1.00 73.43 H new ATOM 0 HG21 THR A 68 -6.606 -7.282 -26.057 1.00 32.10 H new ATOM 0 HG22 THR A 68 -4.895 -6.887 -26.347 1.00 32.10 H new ATOM 0 HG23 THR A 68 -5.485 -8.543 -26.622 1.00 32.10 H new ATOM 1082 N VAL A 69 -2.753 -6.636 -23.384 1.00 11.41 N ATOM 1083 CA VAL A 69 -2.100 -5.901 -22.307 1.00 32.12 C ATOM 1084 C VAL A 69 -3.051 -5.682 -21.136 1.00 33.55 C ATOM 1085 O VAL A 69 -2.627 -5.619 -19.982 1.00 13.13 O ATOM 1086 CB VAL A 69 -1.580 -4.535 -22.793 1.00 73.45 C ATOM 1087 CG1 VAL A 69 -0.759 -3.858 -21.707 1.00 31.42 C ATOM 1088 CG2 VAL A 69 -0.763 -4.700 -24.066 1.00 55.52 C ATOM 0 H VAL A 69 -2.876 -6.102 -24.244 1.00 11.41 H new ATOM 0 HA VAL A 69 -1.256 -6.507 -21.978 1.00 32.12 H new ATOM 0 HB VAL A 69 -2.436 -3.898 -23.017 1.00 73.45 H new ATOM 0 HG11 VAL A 69 -0.400 -2.895 -22.069 1.00 31.42 H new ATOM 0 HG12 VAL A 69 -1.379 -3.706 -20.824 1.00 31.42 H new ATOM 0 HG13 VAL A 69 0.092 -4.488 -21.448 1.00 31.42 H new ATOM 0 HG21 VAL A 69 -0.403 -3.726 -24.396 1.00 55.52 H new ATOM 0 HG22 VAL A 69 0.087 -5.354 -23.871 1.00 55.52 H new ATOM 0 HG23 VAL A 69 -1.387 -5.139 -24.844 1.00 55.52 H new ATOM 1098 N SER A 70 -4.340 -5.568 -21.440 1.00 71.52 N ATOM 1099 CA SER A 70 -5.352 -5.354 -20.413 1.00 14.52 C ATOM 1100 C SER A 70 -5.762 -6.675 -19.769 1.00 2.32 C ATOM 1101 O SER A 70 -6.171 -6.712 -18.608 1.00 54.34 O ATOM 1102 CB SER A 70 -6.579 -4.663 -21.012 1.00 72.41 C ATOM 1103 OG SER A 70 -7.236 -3.861 -20.046 1.00 21.30 O ATOM 0 H SER A 70 -4.708 -5.620 -22.390 1.00 71.52 H new ATOM 0 HA SER A 70 -4.922 -4.713 -19.643 1.00 14.52 H new ATOM 0 HB2 SER A 70 -6.276 -4.045 -21.857 1.00 72.41 H new ATOM 0 HB3 SER A 70 -7.270 -5.413 -21.398 1.00 72.41 H new ATOM 0 HG SER A 70 -8.015 -3.429 -20.454 1.00 21.30 H new ATOM 1109 N ASP A 71 -5.648 -7.757 -20.531 1.00 11.04 N ATOM 1110 CA ASP A 71 -6.005 -9.081 -20.036 1.00 30.45 C ATOM 1111 C ASP A 71 -4.855 -9.693 -19.242 1.00 22.02 C ATOM 1112 O ASP A 71 -5.071 -10.369 -18.236 1.00 31.01 O ATOM 1113 CB ASP A 71 -6.383 -9.999 -21.199 1.00 71.40 C ATOM 1114 CG ASP A 71 -7.713 -9.625 -21.823 1.00 33.52 C ATOM 1115 OD1 ASP A 71 -8.100 -8.441 -21.731 1.00 34.54 O ATOM 1116 OD2 ASP A 71 -8.367 -10.517 -22.404 1.00 1.41 O ATOM 0 H ASP A 71 -5.311 -7.743 -21.494 1.00 11.04 H new ATOM 0 HA ASP A 71 -6.864 -8.974 -19.373 1.00 30.45 H new ATOM 0 HB2 ASP A 71 -5.603 -9.957 -21.960 1.00 71.40 H new ATOM 0 HB3 ASP A 71 -6.428 -11.029 -20.845 1.00 71.40 H new ATOM 1121 N VAL A 72 -3.631 -9.452 -19.702 1.00 11.03 N ATOM 1122 CA VAL A 72 -2.446 -9.979 -19.035 1.00 53.20 C ATOM 1123 C VAL A 72 -2.286 -9.378 -17.643 1.00 41.22 C ATOM 1124 O VAL A 72 -1.894 -10.066 -16.700 1.00 62.14 O ATOM 1125 CB VAL A 72 -1.171 -9.700 -19.853 1.00 12.42 C ATOM 1126 CG1 VAL A 72 -1.002 -8.206 -20.084 1.00 43.14 C ATOM 1127 CG2 VAL A 72 0.048 -10.281 -19.153 1.00 10.21 C ATOM 0 H VAL A 72 -3.434 -8.895 -20.534 1.00 11.03 H new ATOM 0 HA VAL A 72 -2.584 -11.057 -18.948 1.00 53.20 H new ATOM 0 HB VAL A 72 -1.269 -10.185 -20.824 1.00 12.42 H new ATOM 0 HG11 VAL A 72 -0.096 -8.028 -20.663 1.00 43.14 H new ATOM 0 HG12 VAL A 72 -1.864 -7.823 -20.630 1.00 43.14 H new ATOM 0 HG13 VAL A 72 -0.925 -7.696 -19.124 1.00 43.14 H new ATOM 0 HG21 VAL A 72 0.940 -10.075 -19.745 1.00 10.21 H new ATOM 0 HG22 VAL A 72 0.153 -9.827 -18.168 1.00 10.21 H new ATOM 0 HG23 VAL A 72 -0.074 -11.359 -19.044 1.00 10.21 H new ATOM 1137 N ILE A 73 -2.592 -8.091 -17.522 1.00 11.42 N ATOM 1138 CA ILE A 73 -2.483 -7.397 -16.244 1.00 75.32 C ATOM 1139 C ILE A 73 -3.720 -7.633 -15.384 1.00 32.01 C ATOM 1140 O ILE A 73 -3.664 -7.543 -14.157 1.00 43.33 O ATOM 1141 CB ILE A 73 -2.290 -5.882 -16.441 1.00 21.03 C ATOM 1142 CG1 ILE A 73 -1.035 -5.610 -17.272 1.00 43.23 C ATOM 1143 CG2 ILE A 73 -2.202 -5.180 -15.094 1.00 20.33 C ATOM 1144 CD1 ILE A 73 0.214 -6.254 -16.711 1.00 14.12 C ATOM 0 H ILE A 73 -2.917 -7.507 -18.293 1.00 11.42 H new ATOM 0 HA ILE A 73 -1.608 -7.803 -15.737 1.00 75.32 H new ATOM 0 HB ILE A 73 -3.152 -5.487 -16.979 1.00 21.03 H new ATOM 0 HG12 ILE A 73 -1.196 -5.972 -18.287 1.00 43.23 H new ATOM 0 HG13 ILE A 73 -0.880 -4.533 -17.339 1.00 43.23 H new ATOM 0 HG21 ILE A 73 -2.066 -4.110 -15.250 1.00 20.33 H new ATOM 0 HG22 ILE A 73 -3.121 -5.351 -14.534 1.00 20.33 H new ATOM 0 HG23 ILE A 73 -1.356 -5.576 -14.532 1.00 20.33 H new ATOM 0 HD11 ILE A 73 1.064 -6.019 -17.352 1.00 14.12 H new ATOM 0 HD12 ILE A 73 0.400 -5.873 -15.707 1.00 14.12 H new ATOM 0 HD13 ILE A 73 0.079 -7.335 -16.670 1.00 14.12 H new ATOM 1156 N LYS A 74 -4.838 -7.938 -16.035 1.00 3.40 N ATOM 1157 CA LYS A 74 -6.089 -8.190 -15.331 1.00 33.21 C ATOM 1158 C LYS A 74 -6.137 -9.620 -14.802 1.00 1.04 C ATOM 1159 O LYS A 74 -6.675 -9.876 -13.724 1.00 55.33 O ATOM 1160 CB LYS A 74 -7.280 -7.939 -16.259 1.00 10.21 C ATOM 1161 CG LYS A 74 -8.623 -8.252 -15.623 1.00 74.11 C ATOM 1162 CD LYS A 74 -9.061 -9.677 -15.917 1.00 63.32 C ATOM 1163 CE LYS A 74 -9.726 -10.317 -14.708 1.00 42.02 C ATOM 1164 NZ LYS A 74 -11.198 -10.096 -14.704 1.00 15.15 N ATOM 0 H LYS A 74 -4.903 -8.017 -17.050 1.00 3.40 H new ATOM 0 HA LYS A 74 -6.145 -7.505 -14.485 1.00 33.21 H new ATOM 0 HB2 LYS A 74 -7.271 -6.896 -16.574 1.00 10.21 H new ATOM 0 HB3 LYS A 74 -7.163 -8.544 -17.158 1.00 10.21 H new ATOM 0 HG2 LYS A 74 -8.559 -8.105 -14.545 1.00 74.11 H new ATOM 0 HG3 LYS A 74 -9.374 -7.555 -15.995 1.00 74.11 H new ATOM 0 HD2 LYS A 74 -9.754 -9.679 -16.758 1.00 63.32 H new ATOM 0 HD3 LYS A 74 -8.196 -10.270 -16.214 1.00 63.32 H new ATOM 0 HE2 LYS A 74 -9.519 -11.387 -14.704 1.00 42.02 H new ATOM 0 HE3 LYS A 74 -9.294 -9.905 -13.796 1.00 42.02 H new ATOM 0 HZ1 LYS A 74 -11.615 -10.547 -13.865 1.00 15.15 H new ATOM 0 HZ2 LYS A 74 -11.396 -9.075 -14.682 1.00 15.15 H new ATOM 0 HZ3 LYS A 74 -11.614 -10.511 -15.562 1.00 15.15 H new ATOM 1178 N TYR A 75 -5.569 -10.547 -15.564 1.00 72.44 N ATOM 1179 CA TYR A 75 -5.548 -11.952 -15.172 1.00 41.42 C ATOM 1180 C TYR A 75 -4.402 -12.230 -14.205 1.00 5.44 C ATOM 1181 O TYR A 75 -4.623 -12.622 -13.059 1.00 14.13 O ATOM 1182 CB TYR A 75 -5.416 -12.846 -16.406 1.00 54.44 C ATOM 1183 CG TYR A 75 -5.395 -14.323 -16.085 1.00 10.25 C ATOM 1184 CD1 TYR A 75 -6.575 -15.052 -15.996 1.00 41.51 C ATOM 1185 CD2 TYR A 75 -4.196 -14.990 -15.868 1.00 4.41 C ATOM 1186 CE1 TYR A 75 -6.560 -16.401 -15.702 1.00 34.24 C ATOM 1187 CE2 TYR A 75 -4.172 -16.339 -15.574 1.00 65.24 C ATOM 1188 CZ TYR A 75 -5.356 -17.041 -15.492 1.00 54.41 C ATOM 1189 OH TYR A 75 -5.337 -18.385 -15.199 1.00 3.24 O ATOM 0 H TYR A 75 -5.117 -10.352 -16.457 1.00 72.44 H new ATOM 0 HA TYR A 75 -6.488 -12.176 -14.668 1.00 41.42 H new ATOM 0 HB2 TYR A 75 -6.246 -12.642 -17.083 1.00 54.44 H new ATOM 0 HB3 TYR A 75 -4.500 -12.585 -16.937 1.00 54.44 H new ATOM 0 HD1 TYR A 75 -7.520 -14.555 -16.160 1.00 41.51 H new ATOM 0 HD2 TYR A 75 -3.266 -14.444 -15.930 1.00 4.41 H new ATOM 0 HE1 TYR A 75 -7.486 -16.952 -15.637 1.00 34.24 H new ATOM 0 HE2 TYR A 75 -3.231 -16.842 -15.409 1.00 65.24 H new ATOM 0 HH TYR A 75 -4.813 -18.860 -15.877 1.00 3.24 H new ATOM 1199 N ILE A 76 -3.176 -12.023 -14.675 1.00 11.24 N ATOM 1200 CA ILE A 76 -1.995 -12.249 -13.852 1.00 25.04 C ATOM 1201 C ILE A 76 -2.143 -11.591 -12.484 1.00 41.21 C ATOM 1202 O ILE A 76 -1.621 -12.085 -11.485 1.00 21.14 O ATOM 1203 CB ILE A 76 -0.722 -11.711 -14.533 1.00 15.53 C ATOM 1204 CG1 ILE A 76 -0.475 -12.443 -15.853 1.00 35.30 C ATOM 1205 CG2 ILE A 76 0.476 -11.857 -13.607 1.00 41.42 C ATOM 1206 CD1 ILE A 76 0.775 -11.988 -16.572 1.00 52.42 C ATOM 0 H ILE A 76 -2.975 -11.699 -15.621 1.00 11.24 H new ATOM 0 HA ILE A 76 -1.901 -13.328 -13.725 1.00 25.04 H new ATOM 0 HB ILE A 76 -0.863 -10.652 -14.748 1.00 15.53 H new ATOM 0 HG12 ILE A 76 -0.403 -13.513 -15.658 1.00 35.30 H new ATOM 0 HG13 ILE A 76 -1.334 -12.296 -16.507 1.00 35.30 H new ATOM 0 HG21 ILE A 76 1.368 -11.473 -14.102 1.00 41.42 H new ATOM 0 HG22 ILE A 76 0.298 -11.294 -12.691 1.00 41.42 H new ATOM 0 HG23 ILE A 76 0.621 -12.909 -13.363 1.00 41.42 H new ATOM 0 HD11 ILE A 76 0.886 -12.550 -17.499 1.00 52.42 H new ATOM 0 HD12 ILE A 76 0.698 -10.925 -16.799 1.00 52.42 H new ATOM 0 HD13 ILE A 76 1.644 -12.161 -15.937 1.00 52.42 H new ATOM 1218 N LYS A 77 -2.860 -10.473 -12.446 1.00 40.24 N ATOM 1219 CA LYS A 77 -3.081 -9.747 -11.201 1.00 52.25 C ATOM 1220 C LYS A 77 -3.761 -10.637 -10.166 1.00 55.31 C ATOM 1221 O LYS A 77 -3.218 -10.877 -9.089 1.00 22.22 O ATOM 1222 CB LYS A 77 -3.933 -8.502 -11.458 1.00 11.52 C ATOM 1223 CG LYS A 77 -4.542 -7.911 -10.198 1.00 30.23 C ATOM 1224 CD LYS A 77 -4.712 -6.406 -10.313 1.00 3.31 C ATOM 1225 CE LYS A 77 -6.056 -6.041 -10.924 1.00 70.41 C ATOM 1226 NZ LYS A 77 -5.988 -5.969 -12.410 1.00 13.10 N ATOM 0 H LYS A 77 -3.298 -10.050 -13.264 1.00 40.24 H new ATOM 0 HA LYS A 77 -2.111 -9.441 -10.810 1.00 52.25 H new ATOM 0 HB2 LYS A 77 -3.318 -7.745 -11.944 1.00 11.52 H new ATOM 0 HB3 LYS A 77 -4.733 -8.757 -12.153 1.00 11.52 H new ATOM 0 HG2 LYS A 77 -5.511 -8.374 -10.009 1.00 30.23 H new ATOM 0 HG3 LYS A 77 -3.907 -8.142 -9.343 1.00 30.23 H new ATOM 0 HD2 LYS A 77 -4.625 -5.953 -9.326 1.00 3.31 H new ATOM 0 HD3 LYS A 77 -3.909 -5.994 -10.925 1.00 3.31 H new ATOM 0 HE2 LYS A 77 -6.801 -6.780 -10.630 1.00 70.41 H new ATOM 0 HE3 LYS A 77 -6.386 -5.080 -10.528 1.00 70.41 H new ATOM 0 HZ1 LYS A 77 -6.872 -6.337 -12.816 1.00 13.10 H new ATOM 0 HZ2 LYS A 77 -5.857 -4.980 -12.704 1.00 13.10 H new ATOM 0 HZ3 LYS A 77 -5.187 -6.540 -12.749 1.00 13.10 H new ATOM 1240 N GLU A 78 -4.952 -11.123 -10.501 1.00 74.13 N ATOM 1241 CA GLU A 78 -5.705 -11.987 -9.600 1.00 33.14 C ATOM 1242 C GLU A 78 -5.035 -13.351 -9.467 1.00 24.40 C ATOM 1243 O GLU A 78 -5.220 -14.052 -8.472 1.00 14.02 O ATOM 1244 CB GLU A 78 -7.140 -12.159 -10.102 1.00 14.33 C ATOM 1245 CG GLU A 78 -7.835 -10.845 -10.421 1.00 65.45 C ATOM 1246 CD GLU A 78 -9.341 -10.930 -10.272 1.00 31.23 C ATOM 1247 OE1 GLU A 78 -10.011 -11.336 -11.244 1.00 73.41 O ATOM 1248 OE2 GLU A 78 -9.850 -10.590 -9.183 1.00 63.41 O ATOM 0 H GLU A 78 -5.416 -10.933 -11.389 1.00 74.13 H new ATOM 0 HA GLU A 78 -5.725 -11.514 -8.618 1.00 33.14 H new ATOM 0 HB2 GLU A 78 -7.131 -12.782 -10.996 1.00 14.33 H new ATOM 0 HB3 GLU A 78 -7.718 -12.693 -9.348 1.00 14.33 H new ATOM 0 HG2 GLU A 78 -7.452 -10.066 -9.761 1.00 65.45 H new ATOM 0 HG3 GLU A 78 -7.591 -10.548 -11.441 1.00 65.45 H new ATOM 1255 N ARG A 79 -4.255 -13.722 -10.478 1.00 1.45 N ATOM 1256 CA ARG A 79 -3.558 -15.002 -10.475 1.00 60.14 C ATOM 1257 C ARG A 79 -2.390 -14.984 -9.494 1.00 11.25 C ATOM 1258 O ARG A 79 -2.053 -16.006 -8.897 1.00 34.03 O ATOM 1259 CB ARG A 79 -3.052 -15.334 -11.880 1.00 43.34 C ATOM 1260 CG ARG A 79 -2.985 -16.825 -12.168 1.00 3.24 C ATOM 1261 CD ARG A 79 -1.615 -17.395 -11.836 1.00 3.05 C ATOM 1262 NE ARG A 79 -1.649 -18.846 -11.678 1.00 75.50 N ATOM 1263 CZ ARG A 79 -0.668 -19.549 -11.124 1.00 64.45 C ATOM 1264 NH1 ARG A 79 0.420 -18.937 -10.678 1.00 22.04 N ATOM 1265 NH2 ARG A 79 -0.773 -20.868 -11.017 1.00 1.34 N ATOM 0 H ARG A 79 -4.090 -13.154 -11.309 1.00 1.45 H new ATOM 0 HA ARG A 79 -4.264 -15.770 -10.158 1.00 60.14 H new ATOM 0 HB2 ARG A 79 -3.705 -14.860 -12.613 1.00 43.34 H new ATOM 0 HB3 ARG A 79 -2.060 -14.903 -12.011 1.00 43.34 H new ATOM 0 HG2 ARG A 79 -3.747 -17.344 -11.586 1.00 3.24 H new ATOM 0 HG3 ARG A 79 -3.210 -17.004 -13.219 1.00 3.24 H new ATOM 0 HD2 ARG A 79 -0.912 -17.133 -12.627 1.00 3.05 H new ATOM 0 HD3 ARG A 79 -1.246 -16.939 -10.917 1.00 3.05 H new ATOM 0 HE ARG A 79 -2.472 -19.348 -12.012 1.00 75.50 H new ATOM 0 HH11 ARG A 79 0.505 -17.924 -10.760 1.00 22.04 H new ATOM 0 HH12 ARG A 79 1.172 -19.479 -10.253 1.00 22.04 H new ATOM 0 HH21 ARG A 79 -1.608 -21.343 -11.361 1.00 1.34 H new ATOM 0 HH22 ARG A 79 -0.019 -21.407 -10.591 1.00 1.34 H new ATOM 1279 N GLN A 80 -1.777 -13.816 -9.333 1.00 12.43 N ATOM 1280 CA GLN A 80 -0.647 -13.665 -8.424 1.00 65.33 C ATOM 1281 C GLN A 80 -1.071 -13.913 -6.981 1.00 34.13 C ATOM 1282 O GLN A 80 -1.734 -13.077 -6.366 1.00 72.43 O ATOM 1283 CB GLN A 80 -0.041 -12.267 -8.557 1.00 64.13 C ATOM 1284 CG GLN A 80 0.886 -12.117 -9.753 1.00 2.11 C ATOM 1285 CD GLN A 80 2.254 -12.723 -9.511 1.00 23.24 C ATOM 1286 OE1 GLN A 80 2.842 -12.552 -8.442 1.00 53.41 O ATOM 1287 NE2 GLN A 80 2.770 -13.438 -10.504 1.00 51.31 N ATOM 0 H GLN A 80 -2.044 -12.960 -9.820 1.00 12.43 H new ATOM 0 HA GLN A 80 0.105 -14.406 -8.694 1.00 65.33 H new ATOM 0 HB2 GLN A 80 -0.846 -11.537 -8.638 1.00 64.13 H new ATOM 0 HB3 GLN A 80 0.512 -12.032 -7.648 1.00 64.13 H new ATOM 0 HG2 GLN A 80 0.431 -12.592 -10.622 1.00 2.11 H new ATOM 0 HG3 GLN A 80 0.998 -11.059 -9.990 1.00 2.11 H new ATOM 0 HE21 GLN A 80 2.249 -13.554 -11.373 1.00 51.31 H new ATOM 0 HE22 GLN A 80 3.687 -13.871 -10.398 1.00 51.31 H new