USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=19 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 23:sc= 0.201 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.676 K(o=-0.68,f=-4.1!) USER MOD Single : A 10 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0488) USER MOD Single : A 14 MET CE :methyl -118:sc= -5.17 (180deg=-13.5!) USER MOD Single : A 18 LYS NZ :NH3+ 138:sc= 0.366 (180deg=-0.24) USER MOD Single : A 20 ASN : amide:sc= -0.0019 X(o=-0.0019,f=-0.27) USER MOD Single : A 21 LYS NZ :NH3+ 160:sc= -0.171 (180deg=-1.01) 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 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.0714 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -84:sc= 0.00288 USER MOD Single : A 47 MET CE :methyl -178:sc= 0 (180deg=-0.0154) USER MOD Single : A 48 MET CE :methyl 145:sc= -2.91! (180deg=-5.78!) USER MOD Single : A 54 TYR OH : rot 180:sc= -1.22 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 153:sc= -0.186 (180deg=-0.765) USER MOD Single : A 67 LYS NZ :NH3+ -179:sc= -0.376 (180deg=-0.39) USER MOD Single : A 68 THR OG1 : rot 120:sc= 1.13 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 180:sc= -0.632 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.786 X(o=-0.79,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 4 1.693 -5.101 -6.907 1.00 75.35 N ATOM 44 CA THR A 4 1.535 -5.483 -8.305 1.00 62.41 C ATOM 45 C THR A 4 1.127 -4.288 -9.159 1.00 62.41 C ATOM 46 O THR A 4 0.083 -4.307 -9.812 1.00 24.23 O ATOM 47 CB THR A 4 0.485 -6.599 -8.468 1.00 2.42 C ATOM 48 OG1 THR A 4 0.719 -7.635 -7.508 1.00 33.11 O ATOM 49 CG2 THR A 4 0.528 -7.182 -9.872 1.00 45.22 C ATOM 0 HA THR A 4 2.503 -5.853 -8.642 1.00 62.41 H new ATOM 0 HB THR A 4 -0.502 -6.166 -8.302 1.00 2.42 H new ATOM 0 HG1 THR A 4 1.229 -7.273 -6.754 1.00 33.11 H new ATOM 0 HG21 THR A 4 -0.222 -7.968 -9.963 1.00 45.22 H new ATOM 0 HG22 THR A 4 0.320 -6.397 -10.599 1.00 45.22 H new ATOM 0 HG23 THR A 4 1.516 -7.600 -10.062 1.00 45.22 H new ATOM 57 N ASP A 5 1.957 -3.251 -9.151 1.00 53.20 N ATOM 58 CA ASP A 5 1.683 -2.047 -9.927 1.00 52.10 C ATOM 59 C ASP A 5 2.667 -1.911 -11.084 1.00 43.43 C ATOM 60 O ASP A 5 2.272 -1.675 -12.226 1.00 75.22 O ATOM 61 CB ASP A 5 1.755 -0.809 -9.031 1.00 63.41 C ATOM 62 CG ASP A 5 3.081 -0.698 -8.303 1.00 74.35 C ATOM 63 OD1 ASP A 5 3.276 -1.431 -7.311 1.00 64.11 O ATOM 64 OD2 ASP A 5 3.923 0.121 -8.727 1.00 35.22 O ATOM 0 H ASP A 5 2.825 -3.220 -8.616 1.00 53.20 H new ATOM 0 HA ASP A 5 0.677 -2.130 -10.337 1.00 52.10 H new ATOM 0 HB2 ASP A 5 1.600 0.084 -9.637 1.00 63.41 H new ATOM 0 HB3 ASP A 5 0.945 -0.844 -8.302 1.00 63.41 H new ATOM 69 N LYS A 6 3.953 -2.059 -10.782 1.00 35.24 N ATOM 70 CA LYS A 6 4.995 -1.953 -11.795 1.00 61.24 C ATOM 71 C LYS A 6 4.730 -2.913 -12.951 1.00 20.12 C ATOM 72 O LYS A 6 5.013 -2.600 -14.108 1.00 10.34 O ATOM 73 CB LYS A 6 6.365 -2.245 -11.180 1.00 24.32 C ATOM 74 CG LYS A 6 7.440 -1.252 -11.588 1.00 33.30 C ATOM 75 CD LYS A 6 8.143 -1.685 -12.863 1.00 44.13 C ATOM 76 CE LYS A 6 9.594 -1.227 -12.883 1.00 13.34 C ATOM 77 NZ LYS A 6 10.156 -1.223 -14.262 1.00 12.34 N ATOM 0 H LYS A 6 4.298 -2.253 -9.842 1.00 35.24 H new ATOM 0 HA LYS A 6 4.987 -0.934 -12.183 1.00 61.24 H new ATOM 0 HB2 LYS A 6 6.274 -2.243 -10.094 1.00 24.32 H new ATOM 0 HB3 LYS A 6 6.679 -3.247 -11.472 1.00 24.32 H new ATOM 0 HG2 LYS A 6 6.992 -0.269 -11.734 1.00 33.30 H new ATOM 0 HG3 LYS A 6 8.170 -1.154 -10.784 1.00 33.30 H new ATOM 0 HD2 LYS A 6 8.102 -2.771 -12.952 1.00 44.13 H new ATOM 0 HD3 LYS A 6 7.619 -1.275 -13.726 1.00 44.13 H new ATOM 0 HE2 LYS A 6 9.664 -0.225 -12.459 1.00 13.34 H new ATOM 0 HE3 LYS A 6 10.191 -1.883 -12.250 1.00 13.34 H new ATOM 0 HZ1 LYS A 6 11.146 -0.905 -14.233 1.00 12.34 H new ATOM 0 HZ2 LYS A 6 10.113 -2.184 -14.657 1.00 12.34 H new ATOM 0 HZ3 LYS A 6 9.603 -0.577 -14.861 1.00 12.34 H new ATOM 91 N ILE A 7 4.185 -4.082 -12.630 1.00 53.51 N ATOM 92 CA ILE A 7 3.879 -5.085 -13.642 1.00 65.02 C ATOM 93 C ILE A 7 3.011 -4.501 -14.751 1.00 52.11 C ATOM 94 O ILE A 7 3.125 -4.891 -15.912 1.00 61.14 O ATOM 95 CB ILE A 7 3.161 -6.302 -13.030 1.00 11.12 C ATOM 96 CG1 ILE A 7 3.998 -6.899 -11.897 1.00 1.12 C ATOM 97 CG2 ILE A 7 2.885 -7.348 -14.100 1.00 10.33 C ATOM 98 CD1 ILE A 7 3.324 -8.055 -11.192 1.00 31.20 C ATOM 0 H ILE A 7 3.947 -4.357 -11.677 1.00 53.51 H new ATOM 0 HA ILE A 7 4.831 -5.409 -14.062 1.00 65.02 H new ATOM 0 HB ILE A 7 2.207 -5.973 -12.617 1.00 11.12 H new ATOM 0 HG12 ILE A 7 4.953 -7.237 -12.301 1.00 1.12 H new ATOM 0 HG13 ILE A 7 4.218 -6.118 -11.169 1.00 1.12 H new ATOM 0 HG21 ILE A 7 2.377 -8.202 -13.652 1.00 10.33 H new ATOM 0 HG22 ILE A 7 2.253 -6.917 -14.876 1.00 10.33 H new ATOM 0 HG23 ILE A 7 3.827 -7.676 -14.540 1.00 10.33 H new ATOM 0 HD11 ILE A 7 3.975 -8.428 -10.401 1.00 31.20 H new ATOM 0 HD12 ILE A 7 2.383 -7.718 -10.758 1.00 31.20 H new ATOM 0 HD13 ILE A 7 3.128 -8.853 -11.908 1.00 31.20 H new ATOM 110 N GLU A 8 2.144 -3.562 -14.384 1.00 61.20 N ATOM 111 CA GLU A 8 1.257 -2.923 -15.349 1.00 33.42 C ATOM 112 C GLU A 8 2.050 -2.341 -16.515 1.00 0.41 C ATOM 113 O GLU A 8 1.934 -2.803 -17.650 1.00 0.35 O ATOM 114 CB GLU A 8 0.440 -1.821 -14.672 1.00 12.22 C ATOM 115 CG GLU A 8 -0.851 -1.485 -15.400 1.00 20.41 C ATOM 116 CD GLU A 8 -0.608 -0.882 -16.770 1.00 32.41 C ATOM 117 OE1 GLU A 8 0.092 0.149 -16.849 1.00 74.44 O ATOM 118 OE2 GLU A 8 -1.119 -1.442 -17.763 1.00 24.42 O ATOM 0 H GLU A 8 2.037 -3.227 -13.426 1.00 61.20 H new ATOM 0 HA GLU A 8 0.578 -3.682 -15.738 1.00 33.42 H new ATOM 0 HB2 GLU A 8 0.203 -2.130 -13.654 1.00 12.22 H new ATOM 0 HB3 GLU A 8 1.050 -0.921 -14.598 1.00 12.22 H new ATOM 0 HG2 GLU A 8 -1.450 -2.390 -15.506 1.00 20.41 H new ATOM 0 HG3 GLU A 8 -1.432 -0.787 -14.798 1.00 20.41 H new ATOM 125 N GLN A 9 2.855 -1.323 -16.226 1.00 31.35 N ATOM 126 CA GLN A 9 3.666 -0.676 -17.250 1.00 23.50 C ATOM 127 C GLN A 9 4.769 -1.609 -17.740 1.00 4.23 C ATOM 128 O GLN A 9 5.275 -1.460 -18.853 1.00 14.34 O ATOM 129 CB GLN A 9 4.278 0.615 -16.705 1.00 44.34 C ATOM 130 CG GLN A 9 3.371 1.826 -16.849 1.00 13.32 C ATOM 131 CD GLN A 9 3.260 2.306 -18.282 1.00 45.55 C ATOM 132 OE1 GLN A 9 3.443 1.534 -19.224 1.00 3.11 O ATOM 133 NE2 GLN A 9 2.960 3.588 -18.456 1.00 52.23 N ATOM 0 H GLN A 9 2.963 -0.929 -15.291 1.00 31.35 H new ATOM 0 HA GLN A 9 3.018 -0.435 -18.093 1.00 23.50 H new ATOM 0 HB2 GLN A 9 4.520 0.476 -15.651 1.00 44.34 H new ATOM 0 HB3 GLN A 9 5.216 0.810 -17.225 1.00 44.34 H new ATOM 0 HG2 GLN A 9 2.378 1.577 -16.475 1.00 13.32 H new ATOM 0 HG3 GLN A 9 3.752 2.636 -16.227 1.00 13.32 H new ATOM 0 HE21 GLN A 9 2.817 4.193 -17.647 1.00 52.23 H new ATOM 0 HE22 GLN A 9 2.873 3.968 -19.399 1.00 52.23 H new ATOM 142 N LYS A 10 5.139 -2.571 -16.901 1.00 45.14 N ATOM 143 CA LYS A 10 6.182 -3.529 -17.248 1.00 64.22 C ATOM 144 C LYS A 10 5.715 -4.463 -18.360 1.00 22.21 C ATOM 145 O LYS A 10 6.516 -5.182 -18.958 1.00 41.54 O ATOM 146 CB LYS A 10 6.584 -4.345 -16.017 1.00 53.02 C ATOM 147 CG LYS A 10 7.853 -5.156 -16.212 1.00 41.04 C ATOM 148 CD LYS A 10 7.544 -6.621 -16.470 1.00 65.34 C ATOM 149 CE LYS A 10 7.024 -7.310 -15.218 1.00 63.21 C ATOM 150 NZ LYS A 10 8.107 -7.542 -14.222 1.00 51.31 N ATOM 0 H LYS A 10 4.732 -2.708 -15.976 1.00 45.14 H new ATOM 0 HA LYS A 10 7.048 -2.972 -17.605 1.00 64.22 H new ATOM 0 HB2 LYS A 10 6.721 -3.669 -15.173 1.00 53.02 H new ATOM 0 HB3 LYS A 10 5.768 -5.019 -15.757 1.00 53.02 H new ATOM 0 HG2 LYS A 10 8.420 -4.750 -17.049 1.00 41.04 H new ATOM 0 HG3 LYS A 10 8.483 -5.066 -15.327 1.00 41.04 H new ATOM 0 HD2 LYS A 10 6.804 -6.703 -17.266 1.00 65.34 H new ATOM 0 HD3 LYS A 10 8.444 -7.128 -16.818 1.00 65.34 H new ATOM 0 HE2 LYS A 10 6.240 -6.701 -14.767 1.00 63.21 H new ATOM 0 HE3 LYS A 10 6.570 -8.263 -15.490 1.00 63.21 H new ATOM 0 HZ1 LYS A 10 7.754 -8.159 -13.463 1.00 51.31 H new ATOM 0 HZ2 LYS A 10 8.917 -7.997 -14.689 1.00 51.31 H new ATOM 0 HZ3 LYS A 10 8.407 -6.632 -13.817 1.00 51.31 H new ATOM 164 N VAL A 11 4.414 -4.447 -18.633 1.00 23.24 N ATOM 165 CA VAL A 11 3.841 -5.291 -19.674 1.00 41.14 C ATOM 166 C VAL A 11 4.505 -5.028 -21.022 1.00 13.15 C ATOM 167 O VAL A 11 4.595 -5.920 -21.865 1.00 75.32 O ATOM 168 CB VAL A 11 2.324 -5.064 -19.809 1.00 53.30 C ATOM 169 CG1 VAL A 11 2.039 -3.691 -20.400 1.00 64.43 C ATOM 170 CG2 VAL A 11 1.694 -6.159 -20.656 1.00 64.24 C ATOM 0 H VAL A 11 3.737 -3.858 -18.147 1.00 23.24 H new ATOM 0 HA VAL A 11 4.021 -6.325 -19.378 1.00 41.14 H new ATOM 0 HB VAL A 11 1.879 -5.104 -18.815 1.00 53.30 H new ATOM 0 HG11 VAL A 11 0.962 -3.549 -20.488 1.00 64.43 H new ATOM 0 HG12 VAL A 11 2.455 -2.921 -19.749 1.00 64.43 H new ATOM 0 HG13 VAL A 11 2.496 -3.618 -21.387 1.00 64.43 H new ATOM 0 HG21 VAL A 11 0.622 -5.982 -20.740 1.00 64.24 H new ATOM 0 HG22 VAL A 11 2.142 -6.154 -21.650 1.00 64.24 H new ATOM 0 HG23 VAL A 11 1.866 -7.127 -20.186 1.00 64.24 H new ATOM 180 N ILE A 12 4.969 -3.798 -21.216 1.00 74.12 N ATOM 181 CA ILE A 12 5.626 -3.418 -22.461 1.00 32.24 C ATOM 182 C ILE A 12 6.931 -4.184 -22.649 1.00 74.53 C ATOM 183 O ILE A 12 7.272 -4.583 -23.762 1.00 53.14 O ATOM 184 CB ILE A 12 5.920 -1.907 -22.503 1.00 62.11 C ATOM 185 CG1 ILE A 12 6.599 -1.535 -23.823 1.00 3.43 C ATOM 186 CG2 ILE A 12 6.789 -1.503 -21.321 1.00 63.35 C ATOM 187 CD1 ILE A 12 7.083 -0.102 -23.870 1.00 70.21 C ATOM 0 H ILE A 12 4.902 -3.048 -20.528 1.00 74.12 H new ATOM 0 HA ILE A 12 4.940 -3.669 -23.270 1.00 32.24 H new ATOM 0 HB ILE A 12 4.976 -1.366 -22.436 1.00 62.11 H new ATOM 0 HG12 ILE A 12 7.446 -2.202 -23.987 1.00 3.43 H new ATOM 0 HG13 ILE A 12 5.899 -1.701 -24.642 1.00 3.43 H new ATOM 0 HG21 ILE A 12 6.988 -0.432 -21.365 1.00 63.35 H new ATOM 0 HG22 ILE A 12 6.271 -1.738 -20.391 1.00 63.35 H new ATOM 0 HG23 ILE A 12 7.732 -2.049 -21.359 1.00 63.35 H new ATOM 0 HD11 ILE A 12 7.554 0.092 -24.834 1.00 70.21 H new ATOM 0 HD12 ILE A 12 6.237 0.572 -23.737 1.00 70.21 H new ATOM 0 HD13 ILE A 12 7.808 0.064 -23.073 1.00 70.21 H new ATOM 199 N GLU A 13 7.655 -4.388 -21.553 1.00 72.23 N ATOM 200 CA GLU A 13 8.922 -5.108 -21.599 1.00 20.22 C ATOM 201 C GLU A 13 8.690 -6.611 -21.731 1.00 13.34 C ATOM 202 O GLU A 13 9.575 -7.351 -22.159 1.00 13.13 O ATOM 203 CB GLU A 13 9.745 -4.817 -20.342 1.00 41.43 C ATOM 204 CG GLU A 13 11.118 -5.468 -20.349 1.00 51.02 C ATOM 205 CD GLU A 13 12.021 -4.937 -19.253 1.00 32.54 C ATOM 206 OE1 GLU A 13 12.256 -3.711 -19.220 1.00 32.31 O ATOM 207 OE2 GLU A 13 12.492 -5.748 -18.428 1.00 4.42 O ATOM 0 H GLU A 13 7.386 -4.065 -20.624 1.00 72.23 H new ATOM 0 HA GLU A 13 9.474 -4.765 -22.474 1.00 20.22 H new ATOM 0 HB2 GLU A 13 9.864 -3.739 -20.238 1.00 41.43 H new ATOM 0 HB3 GLU A 13 9.193 -5.163 -19.468 1.00 41.43 H new ATOM 0 HG2 GLU A 13 11.006 -6.546 -20.232 1.00 51.02 H new ATOM 0 HG3 GLU A 13 11.590 -5.300 -21.317 1.00 51.02 H new ATOM 214 N MET A 14 7.493 -7.053 -21.359 1.00 30.22 N ATOM 215 CA MET A 14 7.144 -8.467 -21.436 1.00 14.01 C ATOM 216 C MET A 14 6.711 -8.844 -22.849 1.00 50.23 C ATOM 217 O MET A 14 7.342 -9.676 -23.501 1.00 41.44 O ATOM 218 CB MET A 14 6.026 -8.793 -20.444 1.00 15.12 C ATOM 219 CG MET A 14 5.648 -10.265 -20.416 1.00 30.03 C ATOM 220 SD MET A 14 6.660 -11.220 -19.269 1.00 42.11 S ATOM 221 CE MET A 14 7.693 -12.135 -20.411 1.00 5.22 C ATOM 0 H MET A 14 6.749 -6.453 -21.002 1.00 30.22 H new ATOM 0 HA MET A 14 8.029 -9.048 -21.179 1.00 14.01 H new ATOM 0 HB2 MET A 14 6.337 -8.487 -19.445 1.00 15.12 H new ATOM 0 HB3 MET A 14 5.144 -8.205 -20.697 1.00 15.12 H new ATOM 0 HG2 MET A 14 4.599 -10.362 -20.136 1.00 30.03 H new ATOM 0 HG3 MET A 14 5.750 -10.682 -21.418 1.00 30.03 H new ATOM 0 HE1 MET A 14 7.513 -13.203 -20.289 1.00 5.22 H new ATOM 0 HE2 MET A 14 7.454 -11.841 -21.433 1.00 5.22 H new ATOM 0 HE3 MET A 14 8.742 -11.918 -20.207 1.00 5.22 H new ATOM 231 N VAL A 15 5.631 -8.227 -23.317 1.00 55.41 N ATOM 232 CA VAL A 15 5.114 -8.497 -24.654 1.00 2.15 C ATOM 233 C VAL A 15 6.205 -8.338 -25.707 1.00 21.44 C ATOM 234 O VAL A 15 6.285 -9.119 -26.655 1.00 12.23 O ATOM 235 CB VAL A 15 3.940 -7.562 -25.001 1.00 65.14 C ATOM 236 CG1 VAL A 15 3.446 -7.829 -26.415 1.00 32.22 C ATOM 237 CG2 VAL A 15 2.813 -7.725 -23.993 1.00 60.43 C ATOM 0 H VAL A 15 5.097 -7.536 -22.790 1.00 55.41 H new ATOM 0 HA VAL A 15 4.760 -9.528 -24.655 1.00 2.15 H new ATOM 0 HB VAL A 15 4.292 -6.531 -24.953 1.00 65.14 H new ATOM 0 HG11 VAL A 15 2.617 -7.160 -26.643 1.00 32.22 H new ATOM 0 HG12 VAL A 15 4.257 -7.656 -27.122 1.00 32.22 H new ATOM 0 HG13 VAL A 15 3.110 -8.863 -26.494 1.00 32.22 H new ATOM 0 HG21 VAL A 15 1.992 -7.057 -24.254 1.00 60.43 H new ATOM 0 HG22 VAL A 15 2.460 -8.756 -24.006 1.00 60.43 H new ATOM 0 HG23 VAL A 15 3.178 -7.479 -22.996 1.00 60.43 H new ATOM 247 N ALA A 16 7.045 -7.323 -25.533 1.00 14.12 N ATOM 248 CA ALA A 16 8.133 -7.063 -26.467 1.00 21.22 C ATOM 249 C ALA A 16 9.052 -8.274 -26.590 1.00 33.23 C ATOM 250 O ALA A 16 9.741 -8.442 -27.595 1.00 52.32 O ATOM 251 CB ALA A 16 8.925 -5.840 -26.028 1.00 33.23 C ATOM 0 H ALA A 16 6.993 -6.667 -24.753 1.00 14.12 H new ATOM 0 HA ALA A 16 7.698 -6.868 -27.447 1.00 21.22 H new ATOM 0 HB1 ALA A 16 9.734 -5.658 -26.735 1.00 33.23 H new ATOM 0 HB2 ALA A 16 8.267 -4.972 -25.998 1.00 33.23 H new ATOM 0 HB3 ALA A 16 9.342 -6.013 -25.036 1.00 33.23 H new ATOM 257 N GLU A 17 9.056 -9.115 -25.560 1.00 2.22 N ATOM 258 CA GLU A 17 9.892 -10.310 -25.554 1.00 1.54 C ATOM 259 C GLU A 17 9.053 -11.562 -25.787 1.00 35.34 C ATOM 260 O GLU A 17 9.571 -12.606 -26.184 1.00 34.23 O ATOM 261 CB GLU A 17 10.644 -10.426 -24.226 1.00 40.10 C ATOM 262 CG GLU A 17 12.026 -11.042 -24.361 1.00 62.34 C ATOM 263 CD GLU A 17 12.887 -10.821 -23.133 1.00 13.44 C ATOM 264 OE1 GLU A 17 13.505 -9.741 -23.029 1.00 43.44 O ATOM 265 OE2 GLU A 17 12.942 -11.726 -22.275 1.00 31.41 O ATOM 0 H GLU A 17 8.491 -8.991 -24.720 1.00 2.22 H new ATOM 0 HA GLU A 17 10.614 -10.222 -26.366 1.00 1.54 H new ATOM 0 HB2 GLU A 17 10.739 -9.434 -23.784 1.00 40.10 H new ATOM 0 HB3 GLU A 17 10.053 -11.027 -23.535 1.00 40.10 H new ATOM 0 HG2 GLU A 17 11.926 -12.112 -24.542 1.00 62.34 H new ATOM 0 HG3 GLU A 17 12.526 -10.617 -25.231 1.00 62.34 H new ATOM 272 N LYS A 18 7.752 -11.451 -25.536 1.00 44.12 N ATOM 273 CA LYS A 18 6.839 -12.573 -25.719 1.00 12.44 C ATOM 274 C LYS A 18 6.749 -12.967 -27.189 1.00 74.32 C ATOM 275 O LYS A 18 7.006 -14.116 -27.551 1.00 64.11 O ATOM 276 CB LYS A 18 5.448 -12.215 -25.189 1.00 60.42 C ATOM 277 CG LYS A 18 4.435 -13.337 -25.336 1.00 32.43 C ATOM 278 CD LYS A 18 3.059 -12.803 -25.697 1.00 42.21 C ATOM 279 CE LYS A 18 2.196 -12.604 -24.461 1.00 1.44 C ATOM 280 NZ LYS A 18 1.067 -11.668 -24.717 1.00 52.54 N ATOM 0 H LYS A 18 7.307 -10.595 -25.205 1.00 44.12 H new ATOM 0 HA LYS A 18 7.228 -13.422 -25.157 1.00 12.44 H new ATOM 0 HB2 LYS A 18 5.528 -11.944 -24.136 1.00 60.42 H new ATOM 0 HB3 LYS A 18 5.082 -11.335 -25.718 1.00 60.42 H new ATOM 0 HG2 LYS A 18 4.770 -14.032 -26.106 1.00 32.43 H new ATOM 0 HG3 LYS A 18 4.375 -13.899 -24.404 1.00 32.43 H new ATOM 0 HD2 LYS A 18 3.163 -11.856 -26.226 1.00 42.21 H new ATOM 0 HD3 LYS A 18 2.566 -13.496 -26.378 1.00 42.21 H new ATOM 0 HE2 LYS A 18 1.803 -13.567 -24.134 1.00 1.44 H new ATOM 0 HE3 LYS A 18 2.810 -12.218 -23.648 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 0.203 -12.036 -24.270 1.00 52.54 H new ATOM 0 HZ2 LYS A 18 1.293 -10.735 -24.318 1.00 52.54 H new ATOM 0 HZ3 LYS A 18 0.916 -11.579 -25.742 1.00 52.54 H new ATOM 294 N LEU A 19 6.383 -12.009 -28.033 1.00 13.42 N ATOM 295 CA LEU A 19 6.260 -12.256 -29.465 1.00 42.13 C ATOM 296 C LEU A 19 7.275 -11.430 -30.249 1.00 52.32 C ATOM 297 O LEU A 19 7.131 -11.233 -31.455 1.00 71.21 O ATOM 298 CB LEU A 19 4.843 -11.929 -29.940 1.00 3.40 C ATOM 299 CG LEU A 19 4.158 -12.996 -30.794 1.00 44.25 C ATOM 300 CD1 LEU A 19 5.063 -13.424 -31.940 1.00 54.40 C ATOM 301 CD2 LEU A 19 3.772 -14.195 -29.941 1.00 71.13 C ATOM 0 H LEU A 19 6.166 -11.053 -27.750 1.00 13.42 H new ATOM 0 HA LEU A 19 6.462 -13.312 -29.645 1.00 42.13 H new ATOM 0 HB2 LEU A 19 4.222 -11.740 -29.064 1.00 3.40 H new ATOM 0 HB3 LEU A 19 4.878 -11.002 -30.512 1.00 3.40 H new ATOM 0 HG LEU A 19 3.249 -12.568 -31.216 1.00 44.25 H new ATOM 0 HD11 LEU A 19 4.559 -14.184 -32.537 1.00 54.40 H new ATOM 0 HD12 LEU A 19 5.289 -12.561 -32.567 1.00 54.40 H new ATOM 0 HD13 LEU A 19 5.990 -13.834 -31.538 1.00 54.40 H new ATOM 0 HD21 LEU A 19 3.286 -14.944 -30.566 1.00 71.13 H new ATOM 0 HD22 LEU A 19 4.667 -14.624 -29.490 1.00 71.13 H new ATOM 0 HD23 LEU A 19 3.086 -13.877 -29.155 1.00 71.13 H new ATOM 313 N ASN A 20 8.302 -10.950 -29.556 1.00 21.14 N ATOM 314 CA ASN A 20 9.342 -10.146 -30.187 1.00 64.53 C ATOM 315 C ASN A 20 8.741 -8.933 -30.889 1.00 50.32 C ATOM 316 O ASN A 20 8.952 -8.725 -32.084 1.00 52.23 O ATOM 317 CB ASN A 20 10.130 -10.991 -31.191 1.00 20.55 C ATOM 318 CG ASN A 20 11.512 -10.429 -31.461 1.00 1.10 C ATOM 319 OD1 ASN A 20 12.273 -10.148 -30.534 1.00 75.43 O ATOM 320 ND2 ASN A 20 11.843 -10.261 -32.736 1.00 24.21 N ATOM 0 H ASN A 20 8.436 -11.104 -28.557 1.00 21.14 H new ATOM 0 HA ASN A 20 10.018 -9.795 -29.407 1.00 64.53 H new ATOM 0 HB2 ASN A 20 10.222 -12.009 -30.812 1.00 20.55 H new ATOM 0 HB3 ASN A 20 9.575 -11.049 -32.127 1.00 20.55 H new ATOM 0 HD21 ASN A 20 12.760 -9.886 -32.980 1.00 24.21 H new ATOM 0 HD22 ASN A 20 11.181 -10.508 -33.472 1.00 24.21 H new ATOM 327 N LYS A 21 7.991 -8.133 -30.138 1.00 63.12 N ATOM 328 CA LYS A 21 7.360 -6.938 -30.686 1.00 21.31 C ATOM 329 C LYS A 21 8.130 -5.684 -30.285 1.00 50.13 C ATOM 330 O LYS A 21 8.295 -5.398 -29.099 1.00 40.23 O ATOM 331 CB LYS A 21 5.911 -6.836 -30.204 1.00 40.34 C ATOM 332 CG LYS A 21 4.980 -6.185 -31.212 1.00 52.34 C ATOM 333 CD LYS A 21 4.916 -6.979 -32.506 1.00 54.23 C ATOM 334 CE LYS A 21 3.494 -7.419 -32.820 1.00 50.12 C ATOM 335 NZ LYS A 21 2.881 -6.590 -33.894 1.00 51.44 N ATOM 0 H LYS A 21 7.805 -8.291 -29.148 1.00 63.12 H new ATOM 0 HA LYS A 21 7.370 -7.017 -31.773 1.00 21.31 H new ATOM 0 HB2 LYS A 21 5.542 -7.836 -29.974 1.00 40.34 H new ATOM 0 HB3 LYS A 21 5.885 -6.265 -29.276 1.00 40.34 H new ATOM 0 HG2 LYS A 21 3.981 -6.102 -30.785 1.00 52.34 H new ATOM 0 HG3 LYS A 21 5.322 -5.172 -31.422 1.00 52.34 H new ATOM 0 HD2 LYS A 21 5.300 -6.372 -33.326 1.00 54.23 H new ATOM 0 HD3 LYS A 21 5.560 -7.855 -32.429 1.00 54.23 H new ATOM 0 HE2 LYS A 21 3.497 -8.465 -33.126 1.00 50.12 H new ATOM 0 HE3 LYS A 21 2.886 -7.352 -31.918 1.00 50.12 H new ATOM 0 HZ1 LYS A 21 2.079 -7.103 -34.314 1.00 51.44 H new ATOM 0 HZ2 LYS A 21 2.545 -5.692 -33.490 1.00 51.44 H new ATOM 0 HZ3 LYS A 21 3.590 -6.395 -34.629 1.00 51.44 H new ATOM 349 N ASP A 22 8.597 -4.939 -31.281 1.00 23.01 N ATOM 350 CA ASP A 22 9.348 -3.714 -31.032 1.00 54.50 C ATOM 351 C ASP A 22 8.598 -2.805 -30.062 1.00 61.04 C ATOM 352 O ASP A 22 7.368 -2.754 -30.067 1.00 30.22 O ATOM 353 CB ASP A 22 9.608 -2.974 -32.345 1.00 62.13 C ATOM 354 CG ASP A 22 10.901 -2.183 -32.318 1.00 0.25 C ATOM 355 OD1 ASP A 22 11.932 -2.744 -31.890 1.00 34.13 O ATOM 356 OD2 ASP A 22 10.883 -1.003 -32.724 1.00 55.53 O ATOM 0 H ASP A 22 8.469 -5.162 -32.268 1.00 23.01 H new ATOM 0 HA ASP A 22 10.303 -3.987 -30.583 1.00 54.50 H new ATOM 0 HB2 ASP A 22 9.643 -3.693 -33.163 1.00 62.13 H new ATOM 0 HB3 ASP A 22 8.777 -2.299 -32.549 1.00 62.13 H new ATOM 361 N LYS A 23 9.348 -2.089 -29.231 1.00 34.31 N ATOM 362 CA LYS A 23 8.756 -1.182 -28.255 1.00 12.00 C ATOM 363 C LYS A 23 7.902 -0.123 -28.945 1.00 1.43 C ATOM 364 O LYS A 23 6.988 0.439 -28.343 1.00 13.42 O ATOM 365 CB LYS A 23 9.851 -0.509 -27.424 1.00 54.45 C ATOM 366 CG LYS A 23 10.709 0.459 -28.220 1.00 41.32 C ATOM 367 CD LYS A 23 11.975 0.831 -27.467 1.00 1.14 C ATOM 368 CE LYS A 23 13.046 -0.238 -27.615 1.00 65.30 C ATOM 369 NZ LYS A 23 14.120 -0.094 -26.593 1.00 12.40 N ATOM 0 H LYS A 23 10.367 -2.119 -29.214 1.00 34.31 H new ATOM 0 HA LYS A 23 8.115 -1.766 -27.595 1.00 12.00 H new ATOM 0 HB2 LYS A 23 9.389 0.026 -26.594 1.00 54.45 H new ATOM 0 HB3 LYS A 23 10.491 -1.278 -26.991 1.00 54.45 H new ATOM 0 HG2 LYS A 23 10.973 0.010 -29.178 1.00 41.32 H new ATOM 0 HG3 LYS A 23 10.136 1.360 -28.438 1.00 41.32 H new ATOM 0 HD2 LYS A 23 12.355 1.782 -27.840 1.00 1.14 H new ATOM 0 HD3 LYS A 23 11.744 0.972 -26.411 1.00 1.14 H new ATOM 0 HE2 LYS A 23 12.590 -1.224 -27.526 1.00 65.30 H new ATOM 0 HE3 LYS A 23 13.483 -0.178 -28.612 1.00 65.30 H new ATOM 0 HZ1 LYS A 23 14.830 -0.841 -26.728 1.00 12.40 H new ATOM 0 HZ2 LYS A 23 14.573 0.837 -26.694 1.00 12.40 H new ATOM 0 HZ3 LYS A 23 13.707 -0.176 -25.642 1.00 12.40 H new ATOM 383 N ALA A 24 8.206 0.144 -30.211 1.00 23.33 N ATOM 384 CA ALA A 24 7.464 1.133 -30.983 1.00 24.23 C ATOM 385 C ALA A 24 6.185 0.534 -31.558 1.00 24.33 C ATOM 386 O ALA A 24 5.437 1.208 -32.266 1.00 61.11 O ATOM 387 CB ALA A 24 8.335 1.693 -32.098 1.00 12.02 C ATOM 0 H ALA A 24 8.961 -0.311 -30.724 1.00 23.33 H new ATOM 0 HA ALA A 24 7.184 1.946 -30.313 1.00 24.23 H new ATOM 0 HB1 ALA A 24 7.769 2.430 -32.667 1.00 12.02 H new ATOM 0 HB2 ALA A 24 9.217 2.166 -31.667 1.00 12.02 H new ATOM 0 HB3 ALA A 24 8.644 0.884 -32.760 1.00 12.02 H new ATOM 393 N ILE A 25 5.941 -0.735 -31.249 1.00 64.52 N ATOM 394 CA ILE A 25 4.752 -1.424 -31.735 1.00 64.35 C ATOM 395 C ILE A 25 3.874 -1.887 -30.579 1.00 34.55 C ATOM 396 O ILE A 25 2.674 -2.106 -30.746 1.00 75.24 O ATOM 397 CB ILE A 25 5.122 -2.641 -32.604 1.00 24.44 C ATOM 398 CG1 ILE A 25 5.945 -2.200 -33.816 1.00 10.43 C ATOM 399 CG2 ILE A 25 3.867 -3.376 -33.048 1.00 74.31 C ATOM 400 CD1 ILE A 25 7.022 -3.187 -34.207 1.00 50.14 C ATOM 0 H ILE A 25 6.551 -1.307 -30.664 1.00 64.52 H new ATOM 0 HA ILE A 25 4.199 -0.708 -32.343 1.00 64.35 H new ATOM 0 HB ILE A 25 5.727 -3.323 -32.007 1.00 24.44 H new ATOM 0 HG12 ILE A 25 5.276 -2.050 -34.664 1.00 10.43 H new ATOM 0 HG13 ILE A 25 6.407 -1.237 -33.600 1.00 10.43 H new ATOM 0 HG21 ILE A 25 4.145 -4.233 -33.661 1.00 74.31 H new ATOM 0 HG22 ILE A 25 3.317 -3.720 -32.172 1.00 74.31 H new ATOM 0 HG23 ILE A 25 3.238 -2.703 -33.630 1.00 74.31 H new ATOM 0 HD11 ILE A 25 7.565 -2.809 -35.073 1.00 50.14 H new ATOM 0 HD12 ILE A 25 7.713 -3.320 -33.375 1.00 50.14 H new ATOM 0 HD13 ILE A 25 6.565 -4.145 -34.455 1.00 50.14 H new ATOM 412 N ILE A 26 4.479 -2.033 -29.405 1.00 32.23 N ATOM 413 CA ILE A 26 3.751 -2.467 -28.219 1.00 74.30 C ATOM 414 C ILE A 26 2.485 -1.641 -28.018 1.00 73.22 C ATOM 415 O ILE A 26 2.546 -0.427 -27.822 1.00 22.02 O ATOM 416 CB ILE A 26 4.623 -2.365 -26.954 1.00 32.22 C ATOM 417 CG1 ILE A 26 5.885 -3.216 -27.108 1.00 61.00 C ATOM 418 CG2 ILE A 26 3.832 -2.799 -25.729 1.00 13.33 C ATOM 419 CD1 ILE A 26 5.604 -4.697 -27.239 1.00 14.54 C ATOM 0 H ILE A 26 5.472 -1.857 -29.250 1.00 32.23 H new ATOM 0 HA ILE A 26 3.480 -3.510 -28.380 1.00 74.30 H new ATOM 0 HB ILE A 26 4.922 -1.325 -26.820 1.00 32.22 H new ATOM 0 HG12 ILE A 26 6.435 -2.880 -27.987 1.00 61.00 H new ATOM 0 HG13 ILE A 26 6.531 -3.052 -26.246 1.00 61.00 H new ATOM 0 HG21 ILE A 26 4.462 -2.721 -24.843 1.00 13.33 H new ATOM 0 HG22 ILE A 26 2.960 -2.155 -25.612 1.00 13.33 H new ATOM 0 HG23 ILE A 26 3.506 -3.832 -25.853 1.00 13.33 H new ATOM 0 HD11 ILE A 26 6.544 -5.238 -27.345 1.00 14.54 H new ATOM 0 HD12 ILE A 26 5.081 -5.048 -26.349 1.00 14.54 H new ATOM 0 HD13 ILE A 26 4.984 -4.873 -28.118 1.00 14.54 H new ATOM 431 N THR A 27 1.335 -2.308 -28.067 1.00 4.10 N ATOM 432 CA THR A 27 0.054 -1.636 -27.890 1.00 22.41 C ATOM 433 C THR A 27 -0.877 -2.453 -27.001 1.00 25.30 C ATOM 434 O THR A 27 -0.811 -3.683 -26.979 1.00 1.11 O ATOM 435 CB THR A 27 -0.638 -1.382 -29.242 1.00 54.10 C ATOM 436 OG1 THR A 27 -0.563 -2.555 -30.060 1.00 23.03 O ATOM 437 CG2 THR A 27 0.005 -0.210 -29.967 1.00 40.34 C ATOM 0 H THR A 27 1.265 -3.313 -28.228 1.00 4.10 H new ATOM 0 HA THR A 27 0.262 -0.679 -27.411 1.00 22.41 H new ATOM 0 HB THR A 27 -1.683 -1.141 -29.050 1.00 54.10 H new ATOM 0 HG1 THR A 27 -1.007 -2.385 -30.917 1.00 23.03 H new ATOM 0 HG21 THR A 27 -0.501 -0.050 -30.919 1.00 40.34 H new ATOM 0 HG22 THR A 27 -0.081 0.688 -29.355 1.00 40.34 H new ATOM 0 HG23 THR A 27 1.058 -0.427 -30.147 1.00 40.34 H new ATOM 445 N THR A 28 -1.745 -1.763 -26.268 1.00 42.23 N ATOM 446 CA THR A 28 -2.689 -2.424 -25.377 1.00 31.41 C ATOM 447 C THR A 28 -3.475 -3.505 -26.112 1.00 4.51 C ATOM 448 O THR A 28 -3.728 -4.580 -25.568 1.00 44.23 O ATOM 449 CB THR A 28 -3.678 -1.418 -24.758 1.00 44.14 C ATOM 450 OG1 THR A 28 -4.427 -0.769 -25.792 1.00 3.22 O ATOM 451 CG2 THR A 28 -2.942 -0.377 -23.929 1.00 5.15 C ATOM 0 H THR A 28 -1.813 -0.745 -26.274 1.00 42.23 H new ATOM 0 HA THR A 28 -2.103 -2.882 -24.581 1.00 31.41 H new ATOM 0 HB THR A 28 -4.358 -1.965 -24.105 1.00 44.14 H new ATOM 0 HG1 THR A 28 -5.055 -0.132 -25.391 1.00 3.22 H new ATOM 0 HG21 THR A 28 -3.661 0.323 -23.502 1.00 5.15 H new ATOM 0 HG22 THR A 28 -2.396 -0.871 -23.126 1.00 5.15 H new ATOM 0 HG23 THR A 28 -2.242 0.165 -24.564 1.00 5.15 H new ATOM 459 N ASP A 29 -3.857 -3.212 -27.350 1.00 33.11 N ATOM 460 CA ASP A 29 -4.613 -4.160 -28.161 1.00 11.14 C ATOM 461 C ASP A 29 -3.703 -4.865 -29.162 1.00 33.24 C ATOM 462 O ASP A 29 -4.141 -5.262 -30.241 1.00 54.34 O ATOM 463 CB ASP A 29 -5.745 -3.443 -28.898 1.00 73.52 C ATOM 464 CG ASP A 29 -6.820 -4.399 -29.378 1.00 22.42 C ATOM 465 OD1 ASP A 29 -6.710 -5.609 -29.087 1.00 14.44 O ATOM 466 OD2 ASP A 29 -7.770 -3.938 -30.045 1.00 63.50 O ATOM 0 H ASP A 29 -3.656 -2.326 -27.814 1.00 33.11 H new ATOM 0 HA ASP A 29 -5.041 -4.910 -27.496 1.00 11.14 H new ATOM 0 HB2 ASP A 29 -6.192 -2.700 -28.237 1.00 73.52 H new ATOM 0 HB3 ASP A 29 -5.335 -2.904 -29.752 1.00 73.52 H new ATOM 471 N SER A 30 -2.435 -5.017 -28.796 1.00 24.24 N ATOM 472 CA SER A 30 -1.462 -5.670 -29.664 1.00 24.25 C ATOM 473 C SER A 30 -1.999 -7.003 -30.176 1.00 10.01 C ATOM 474 O SER A 30 -2.281 -7.912 -29.395 1.00 65.55 O ATOM 475 CB SER A 30 -0.146 -5.892 -28.914 1.00 52.24 C ATOM 476 OG SER A 30 0.764 -6.647 -29.695 1.00 21.22 O ATOM 0 H SER A 30 -2.057 -4.697 -27.904 1.00 24.24 H new ATOM 0 HA SER A 30 -1.280 -5.019 -30.519 1.00 24.25 H new ATOM 0 HB2 SER A 30 0.299 -4.930 -28.660 1.00 52.24 H new ATOM 0 HB3 SER A 30 -0.342 -6.410 -27.975 1.00 52.24 H new ATOM 0 HG SER A 30 1.597 -6.774 -29.195 1.00 21.22 H new ATOM 482 N ARG A 31 -2.139 -7.110 -31.493 1.00 64.32 N ATOM 483 CA ARG A 31 -2.643 -8.331 -32.111 1.00 53.40 C ATOM 484 C ARG A 31 -1.533 -9.058 -32.864 1.00 31.34 C ATOM 485 O ARG A 31 -1.696 -9.428 -34.027 1.00 32.25 O ATOM 486 CB ARG A 31 -3.794 -8.006 -33.066 1.00 25.10 C ATOM 487 CG ARG A 31 -5.108 -7.716 -32.360 1.00 2.21 C ATOM 488 CD ARG A 31 -6.274 -7.706 -33.336 1.00 10.52 C ATOM 489 NE ARG A 31 -6.227 -6.554 -34.233 1.00 11.14 N ATOM 490 CZ ARG A 31 -7.144 -6.308 -35.161 1.00 55.23 C ATOM 491 NH1 ARG A 31 -8.175 -7.128 -35.314 1.00 22.11 N ATOM 492 NH2 ARG A 31 -7.032 -5.239 -35.939 1.00 55.33 N ATOM 0 H ARG A 31 -1.911 -6.366 -32.153 1.00 64.32 H new ATOM 0 HA ARG A 31 -3.009 -8.985 -31.320 1.00 53.40 H new ATOM 0 HB2 ARG A 31 -3.519 -7.143 -33.672 1.00 25.10 H new ATOM 0 HB3 ARG A 31 -3.936 -8.843 -33.749 1.00 25.10 H new ATOM 0 HG2 ARG A 31 -5.283 -8.468 -31.590 1.00 2.21 H new ATOM 0 HG3 ARG A 31 -5.046 -6.752 -31.855 1.00 2.21 H new ATOM 0 HD2 ARG A 31 -6.263 -8.624 -33.924 1.00 10.52 H new ATOM 0 HD3 ARG A 31 -7.212 -7.695 -32.780 1.00 10.52 H new ATOM 0 HE ARG A 31 -5.447 -5.903 -34.141 1.00 11.14 H new ATOM 0 HH11 ARG A 31 -8.265 -7.951 -34.718 1.00 22.11 H new ATOM 0 HH12 ARG A 31 -8.878 -6.936 -36.028 1.00 22.11 H new ATOM 0 HH21 ARG A 31 -6.241 -4.605 -35.824 1.00 55.33 H new ATOM 0 HH22 ARG A 31 -7.737 -5.051 -36.652 1.00 55.33 H new ATOM 506 N PHE A 32 -0.404 -9.260 -32.192 1.00 50.24 N ATOM 507 CA PHE A 32 0.734 -9.942 -32.798 1.00 10.32 C ATOM 508 C PHE A 32 0.295 -11.238 -33.473 1.00 41.31 C ATOM 509 O PHE A 32 0.857 -11.640 -34.492 1.00 51.14 O ATOM 510 CB PHE A 32 1.799 -10.240 -31.740 1.00 53.31 C ATOM 511 CG PHE A 32 1.232 -10.756 -30.448 1.00 44.32 C ATOM 512 CD1 PHE A 32 0.876 -12.088 -30.316 1.00 24.31 C ATOM 513 CD2 PHE A 32 1.057 -9.909 -29.366 1.00 55.41 C ATOM 514 CE1 PHE A 32 0.354 -12.565 -29.129 1.00 23.45 C ATOM 515 CE2 PHE A 32 0.535 -10.380 -28.176 1.00 23.21 C ATOM 516 CZ PHE A 32 0.185 -11.711 -28.057 1.00 13.32 C ATOM 0 H PHE A 32 -0.253 -8.961 -31.228 1.00 50.24 H new ATOM 0 HA PHE A 32 1.159 -9.284 -33.556 1.00 10.32 H new ATOM 0 HB2 PHE A 32 2.500 -10.973 -32.138 1.00 53.31 H new ATOM 0 HB3 PHE A 32 2.367 -9.331 -31.541 1.00 53.31 H new ATOM 0 HD1 PHE A 32 1.008 -12.761 -31.150 1.00 24.31 H new ATOM 0 HD2 PHE A 32 1.332 -8.868 -29.453 1.00 55.41 H new ATOM 0 HE1 PHE A 32 0.078 -13.605 -29.040 1.00 23.45 H new ATOM 0 HE2 PHE A 32 0.401 -9.709 -27.341 1.00 23.21 H new ATOM 0 HZ PHE A 32 -0.220 -12.083 -27.127 1.00 13.32 H new ATOM 526 N ILE A 33 -0.711 -11.886 -32.897 1.00 74.42 N ATOM 527 CA ILE A 33 -1.226 -13.136 -33.443 1.00 70.11 C ATOM 528 C ILE A 33 -1.653 -12.966 -34.897 1.00 61.31 C ATOM 529 O ILE A 33 -1.364 -13.813 -35.742 1.00 23.34 O ATOM 530 CB ILE A 33 -2.423 -13.657 -32.626 1.00 11.32 C ATOM 531 CG1 ILE A 33 -2.986 -14.930 -33.260 1.00 75.01 C ATOM 532 CG2 ILE A 33 -3.501 -12.587 -32.525 1.00 24.33 C ATOM 533 CD1 ILE A 33 -1.965 -16.036 -33.404 1.00 30.42 C ATOM 0 H ILE A 33 -1.186 -11.567 -32.053 1.00 74.42 H new ATOM 0 HA ILE A 33 -0.415 -13.862 -33.387 1.00 70.11 H new ATOM 0 HB ILE A 33 -2.080 -13.896 -31.619 1.00 11.32 H new ATOM 0 HG12 ILE A 33 -3.817 -15.291 -32.654 1.00 75.01 H new ATOM 0 HG13 ILE A 33 -3.389 -14.689 -34.243 1.00 75.01 H new ATOM 0 HG21 ILE A 33 -4.341 -12.970 -31.945 1.00 24.33 H new ATOM 0 HG22 ILE A 33 -3.093 -11.704 -32.033 1.00 24.33 H new ATOM 0 HG23 ILE A 33 -3.843 -12.320 -33.525 1.00 24.33 H new ATOM 0 HD11 ILE A 33 -2.434 -16.907 -33.861 1.00 30.42 H new ATOM 0 HD12 ILE A 33 -1.144 -15.694 -34.035 1.00 30.42 H new ATOM 0 HD13 ILE A 33 -1.579 -16.305 -32.421 1.00 30.42 H new ATOM 545 N GLU A 34 -2.341 -11.865 -35.182 1.00 31.15 N ATOM 546 CA GLU A 34 -2.807 -11.584 -36.535 1.00 23.15 C ATOM 547 C GLU A 34 -1.774 -10.768 -37.307 1.00 21.41 C ATOM 548 O GLU A 34 -1.317 -11.177 -38.375 1.00 22.05 O ATOM 549 CB GLU A 34 -4.139 -10.833 -36.494 1.00 11.15 C ATOM 550 CG GLU A 34 -5.324 -11.714 -36.136 1.00 71.32 C ATOM 551 CD GLU A 34 -6.654 -11.015 -36.340 1.00 1.45 C ATOM 552 OE1 GLU A 34 -7.020 -10.179 -35.487 1.00 10.40 O ATOM 553 OE2 GLU A 34 -7.328 -11.303 -37.350 1.00 53.21 O ATOM 0 H GLU A 34 -2.588 -11.153 -34.494 1.00 31.15 H new ATOM 0 HA GLU A 34 -2.951 -12.535 -37.047 1.00 23.15 H new ATOM 0 HB2 GLU A 34 -4.067 -10.023 -35.769 1.00 11.15 H new ATOM 0 HB3 GLU A 34 -4.318 -10.375 -37.467 1.00 11.15 H new ATOM 0 HG2 GLU A 34 -5.296 -12.618 -36.744 1.00 71.32 H new ATOM 0 HG3 GLU A 34 -5.238 -12.027 -35.095 1.00 71.32 H new ATOM 560 N ASP A 35 -1.412 -9.613 -36.760 1.00 22.42 N ATOM 561 CA ASP A 35 -0.433 -8.740 -37.396 1.00 41.50 C ATOM 562 C ASP A 35 0.855 -9.498 -37.702 1.00 0.24 C ATOM 563 O ASP A 35 1.310 -9.534 -38.846 1.00 22.24 O ATOM 564 CB ASP A 35 -0.131 -7.538 -36.499 1.00 54.23 C ATOM 565 CG ASP A 35 0.837 -6.564 -37.142 1.00 30.31 C ATOM 566 OD1 ASP A 35 0.654 -6.246 -38.336 1.00 24.31 O ATOM 567 OD2 ASP A 35 1.777 -6.120 -36.451 1.00 0.23 O ATOM 0 H ASP A 35 -1.782 -9.260 -35.878 1.00 22.42 H new ATOM 0 HA ASP A 35 -0.856 -8.385 -38.336 1.00 41.50 H new ATOM 0 HB2 ASP A 35 -1.061 -7.020 -36.265 1.00 54.23 H new ATOM 0 HB3 ASP A 35 0.285 -7.889 -35.554 1.00 54.23 H new ATOM 572 N LEU A 36 1.439 -10.101 -36.672 1.00 34.11 N ATOM 573 CA LEU A 36 2.675 -10.858 -36.830 1.00 25.44 C ATOM 574 C LEU A 36 2.390 -12.270 -37.331 1.00 75.14 C ATOM 575 O LEU A 36 3.309 -13.046 -37.594 1.00 51.31 O ATOM 576 CB LEU A 36 3.431 -10.920 -35.501 1.00 64.42 C ATOM 577 CG LEU A 36 4.911 -10.538 -35.553 1.00 21.45 C ATOM 578 CD1 LEU A 36 5.081 -9.132 -36.107 1.00 35.35 C ATOM 579 CD2 LEU A 36 5.539 -10.648 -34.171 1.00 34.35 C ATOM 0 H LEU A 36 1.076 -10.080 -35.719 1.00 34.11 H new ATOM 0 HA LEU A 36 3.292 -10.348 -37.570 1.00 25.44 H new ATOM 0 HB2 LEU A 36 2.931 -10.262 -34.790 1.00 64.42 H new ATOM 0 HB3 LEU A 36 3.351 -11.933 -35.107 1.00 64.42 H new ATOM 0 HG LEU A 36 5.422 -11.233 -36.219 1.00 21.45 H new ATOM 0 HD11 LEU A 36 6.141 -8.878 -36.136 1.00 35.35 H new ATOM 0 HD12 LEU A 36 4.669 -9.086 -37.115 1.00 35.35 H new ATOM 0 HD13 LEU A 36 4.556 -8.423 -35.467 1.00 35.35 H new ATOM 0 HD21 LEU A 36 6.592 -10.373 -34.227 1.00 34.35 H new ATOM 0 HD22 LEU A 36 5.024 -9.977 -33.483 1.00 34.35 H new ATOM 0 HD23 LEU A 36 5.451 -11.673 -33.812 1.00 34.35 H new ATOM 591 N LYS A 37 1.109 -12.597 -37.465 1.00 15.14 N ATOM 592 CA LYS A 37 0.700 -13.914 -37.938 1.00 54.25 C ATOM 593 C LYS A 37 1.390 -15.017 -37.143 1.00 2.10 C ATOM 594 O LYS A 37 2.001 -15.918 -37.716 1.00 23.52 O ATOM 595 CB LYS A 37 1.022 -14.066 -39.427 1.00 12.42 C ATOM 596 CG LYS A 37 0.290 -15.218 -40.093 1.00 65.10 C ATOM 597 CD LYS A 37 -1.216 -15.032 -40.032 1.00 53.13 C ATOM 598 CE LYS A 37 -1.932 -15.958 -41.003 1.00 60.44 C ATOM 599 NZ LYS A 37 -2.157 -15.310 -42.325 1.00 1.00 N ATOM 0 H LYS A 37 0.336 -11.967 -37.252 1.00 15.14 H new ATOM 0 HA LYS A 37 -0.376 -14.006 -37.793 1.00 54.25 H new ATOM 0 HB2 LYS A 37 0.768 -13.139 -39.941 1.00 12.42 H new ATOM 0 HB3 LYS A 37 2.096 -14.212 -39.545 1.00 12.42 H new ATOM 0 HG2 LYS A 37 0.606 -15.298 -41.133 1.00 65.10 H new ATOM 0 HG3 LYS A 37 0.562 -16.154 -39.605 1.00 65.10 H new ATOM 0 HD2 LYS A 37 -1.567 -15.225 -39.018 1.00 53.13 H new ATOM 0 HD3 LYS A 37 -1.465 -13.997 -40.264 1.00 53.13 H new ATOM 0 HE2 LYS A 37 -1.344 -16.866 -41.139 1.00 60.44 H new ATOM 0 HE3 LYS A 37 -2.890 -16.259 -40.578 1.00 60.44 H new ATOM 0 HZ1 LYS A 37 -2.647 -15.974 -42.958 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -2.739 -14.457 -42.199 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -1.242 -15.046 -42.742 1.00 1.00 H new ATOM 613 N ALA A 38 1.287 -14.939 -35.820 1.00 64.42 N ATOM 614 CA ALA A 38 1.899 -15.933 -34.947 1.00 21.31 C ATOM 615 C ALA A 38 1.307 -17.317 -35.191 1.00 62.31 C ATOM 616 O ALA A 38 0.126 -17.551 -34.936 1.00 32.50 O ATOM 617 CB ALA A 38 1.726 -15.533 -33.489 1.00 42.13 C ATOM 0 H ALA A 38 0.786 -14.198 -35.330 1.00 64.42 H new ATOM 0 HA ALA A 38 2.964 -15.976 -35.177 1.00 21.31 H new ATOM 0 HB1 ALA A 38 2.188 -16.284 -32.848 1.00 42.13 H new ATOM 0 HB2 ALA A 38 2.202 -14.568 -33.318 1.00 42.13 H new ATOM 0 HB3 ALA A 38 0.664 -15.460 -33.255 1.00 42.13 H new ATOM 623 N ASP A 39 2.135 -18.230 -35.687 1.00 71.31 N ATOM 624 CA ASP A 39 1.693 -19.592 -35.966 1.00 2.14 C ATOM 625 C ASP A 39 1.074 -20.227 -34.724 1.00 63.03 C ATOM 626 O ASP A 39 1.062 -19.628 -33.649 1.00 22.21 O ATOM 627 CB ASP A 39 2.867 -20.441 -36.457 1.00 75.10 C ATOM 628 CG ASP A 39 3.298 -20.074 -37.863 1.00 40.22 C ATOM 629 OD1 ASP A 39 3.973 -19.035 -38.025 1.00 32.21 O ATOM 630 OD2 ASP A 39 2.962 -20.825 -38.802 1.00 32.32 O ATOM 0 H ASP A 39 3.116 -18.052 -35.904 1.00 71.31 H new ATOM 0 HA ASP A 39 0.934 -19.549 -36.747 1.00 2.14 H new ATOM 0 HB2 ASP A 39 3.710 -20.317 -35.778 1.00 75.10 H new ATOM 0 HB3 ASP A 39 2.587 -21.494 -36.429 1.00 75.10 H new ATOM 635 N SER A 40 0.560 -21.443 -34.881 1.00 43.34 N ATOM 636 CA SER A 40 -0.065 -22.157 -33.775 1.00 21.33 C ATOM 637 C SER A 40 0.977 -22.920 -32.963 1.00 4.05 C ATOM 638 O SER A 40 0.917 -22.959 -31.733 1.00 1.42 O ATOM 639 CB SER A 40 -1.127 -23.125 -34.300 1.00 20.12 C ATOM 640 OG SER A 40 -2.185 -22.427 -34.932 1.00 53.44 O ATOM 0 H SER A 40 0.564 -21.954 -35.764 1.00 43.34 H new ATOM 0 HA SER A 40 -0.542 -21.423 -33.125 1.00 21.33 H new ATOM 0 HB2 SER A 40 -0.673 -23.820 -35.006 1.00 20.12 H new ATOM 0 HB3 SER A 40 -1.521 -23.720 -33.476 1.00 20.12 H new ATOM 0 HG SER A 40 -2.850 -23.068 -35.260 1.00 53.44 H new ATOM 646 N LEU A 41 1.933 -23.526 -33.659 1.00 11.13 N ATOM 647 CA LEU A 41 2.990 -24.289 -33.004 1.00 1.52 C ATOM 648 C LEU A 41 4.009 -23.359 -32.352 1.00 54.40 C ATOM 649 O LEU A 41 4.662 -23.725 -31.375 1.00 44.22 O ATOM 650 CB LEU A 41 3.689 -25.201 -34.014 1.00 15.33 C ATOM 651 CG LEU A 41 4.764 -24.544 -34.879 1.00 64.15 C ATOM 652 CD1 LEU A 41 5.578 -25.600 -35.612 1.00 53.32 C ATOM 653 CD2 LEU A 41 4.135 -23.573 -35.867 1.00 54.32 C ATOM 0 H LEU A 41 1.998 -23.504 -34.677 1.00 11.13 H new ATOM 0 HA LEU A 41 2.533 -24.901 -32.226 1.00 1.52 H new ATOM 0 HB2 LEU A 41 4.144 -26.030 -33.471 1.00 15.33 H new ATOM 0 HB3 LEU A 41 2.932 -25.628 -34.672 1.00 15.33 H new ATOM 0 HG LEU A 41 5.435 -23.984 -34.227 1.00 64.15 H new ATOM 0 HD11 LEU A 41 6.339 -25.114 -36.223 1.00 53.32 H new ATOM 0 HD12 LEU A 41 6.060 -26.256 -34.887 1.00 53.32 H new ATOM 0 HD13 LEU A 41 4.920 -26.188 -36.252 1.00 53.32 H new ATOM 0 HD21 LEU A 41 4.916 -23.115 -36.474 1.00 54.32 H new ATOM 0 HD22 LEU A 41 3.441 -24.110 -36.513 1.00 54.32 H new ATOM 0 HD23 LEU A 41 3.597 -22.797 -35.322 1.00 54.32 H new ATOM 665 N ASP A 42 4.136 -22.154 -32.898 1.00 21.24 N ATOM 666 CA ASP A 42 5.072 -21.170 -32.367 1.00 45.14 C ATOM 667 C ASP A 42 4.470 -20.434 -31.175 1.00 12.03 C ATOM 668 O ASP A 42 5.154 -20.163 -30.187 1.00 63.33 O ATOM 669 CB ASP A 42 5.464 -20.169 -33.456 1.00 13.25 C ATOM 670 CG ASP A 42 6.361 -20.783 -34.512 1.00 74.31 C ATOM 671 OD1 ASP A 42 7.566 -20.959 -34.238 1.00 11.15 O ATOM 672 OD2 ASP A 42 5.857 -21.088 -35.614 1.00 4.10 O ATOM 0 H ASP A 42 3.603 -21.836 -33.707 1.00 21.24 H new ATOM 0 HA ASP A 42 5.964 -21.698 -32.031 1.00 45.14 H new ATOM 0 HB2 ASP A 42 4.562 -19.781 -33.930 1.00 13.25 H new ATOM 0 HB3 ASP A 42 5.974 -19.321 -32.999 1.00 13.25 H new ATOM 677 N THR A 43 3.184 -20.111 -31.273 1.00 31.20 N ATOM 678 CA THR A 43 2.489 -19.405 -30.204 1.00 43.31 C ATOM 679 C THR A 43 2.695 -20.098 -28.862 1.00 72.54 C ATOM 680 O THR A 43 3.134 -19.480 -27.893 1.00 13.32 O ATOM 681 CB THR A 43 0.979 -19.300 -30.489 1.00 2.51 C ATOM 682 OG1 THR A 43 0.541 -20.440 -31.235 1.00 33.41 O ATOM 683 CG2 THR A 43 0.662 -18.029 -31.263 1.00 13.24 C ATOM 0 H THR A 43 2.603 -20.327 -32.083 1.00 31.20 H new ATOM 0 HA THR A 43 2.913 -18.402 -30.160 1.00 43.31 H new ATOM 0 HB THR A 43 0.453 -19.267 -29.535 1.00 2.51 H new ATOM 0 HG1 THR A 43 0.707 -20.290 -32.189 1.00 33.41 H new ATOM 0 HG21 THR A 43 -0.410 -17.976 -31.453 1.00 13.24 H new ATOM 0 HG22 THR A 43 0.970 -17.161 -30.680 1.00 13.24 H new ATOM 0 HG23 THR A 43 1.198 -18.037 -32.212 1.00 13.24 H new ATOM 691 N VAL A 44 2.375 -21.388 -28.813 1.00 3.10 N ATOM 692 CA VAL A 44 2.527 -22.167 -27.590 1.00 13.32 C ATOM 693 C VAL A 44 3.919 -21.990 -26.994 1.00 51.43 C ATOM 694 O VAL A 44 4.098 -22.060 -25.779 1.00 11.20 O ATOM 695 CB VAL A 44 2.276 -23.665 -27.844 1.00 33.03 C ATOM 696 CG1 VAL A 44 3.373 -24.249 -28.721 1.00 33.34 C ATOM 697 CG2 VAL A 44 2.177 -24.419 -26.526 1.00 53.02 C ATOM 0 H VAL A 44 2.009 -21.915 -29.606 1.00 3.10 H new ATOM 0 HA VAL A 44 1.784 -21.796 -26.885 1.00 13.32 H new ATOM 0 HB VAL A 44 1.328 -23.773 -28.370 1.00 33.03 H new ATOM 0 HG11 VAL A 44 3.179 -25.308 -28.890 1.00 33.34 H new ATOM 0 HG12 VAL A 44 3.391 -23.727 -29.677 1.00 33.34 H new ATOM 0 HG13 VAL A 44 4.337 -24.131 -28.225 1.00 33.34 H new ATOM 0 HG21 VAL A 44 1.999 -25.476 -26.724 1.00 53.02 H new ATOM 0 HG22 VAL A 44 3.108 -24.305 -25.971 1.00 53.02 H new ATOM 0 HG23 VAL A 44 1.352 -24.017 -25.938 1.00 53.02 H new ATOM 707 N GLU A 45 4.902 -21.759 -27.859 1.00 73.24 N ATOM 708 CA GLU A 45 6.279 -21.572 -27.418 1.00 32.21 C ATOM 709 C GLU A 45 6.525 -20.125 -27.000 1.00 35.30 C ATOM 710 O GLU A 45 7.211 -19.860 -26.012 1.00 63.34 O ATOM 711 CB GLU A 45 7.252 -21.965 -28.531 1.00 25.51 C ATOM 712 CG GLU A 45 8.703 -21.642 -28.213 1.00 53.23 C ATOM 713 CD GLU A 45 9.675 -22.555 -28.934 1.00 25.14 C ATOM 714 OE1 GLU A 45 9.502 -22.763 -30.153 1.00 14.41 O ATOM 715 OE2 GLU A 45 10.610 -23.062 -28.279 1.00 32.42 O ATOM 0 H GLU A 45 4.770 -21.697 -28.869 1.00 73.24 H new ATOM 0 HA GLU A 45 6.447 -22.215 -26.554 1.00 32.21 H new ATOM 0 HB2 GLU A 45 7.160 -23.034 -28.722 1.00 25.51 H new ATOM 0 HB3 GLU A 45 6.967 -21.452 -29.449 1.00 25.51 H new ATOM 0 HG2 GLU A 45 8.910 -20.608 -28.488 1.00 53.23 H new ATOM 0 HG3 GLU A 45 8.862 -21.724 -27.138 1.00 53.23 H new ATOM 722 N LEU A 46 5.959 -19.193 -27.759 1.00 4.33 N ATOM 723 CA LEU A 46 6.117 -17.772 -27.469 1.00 14.44 C ATOM 724 C LEU A 46 5.439 -17.406 -26.152 1.00 74.40 C ATOM 725 O LEU A 46 6.073 -16.872 -25.243 1.00 63.01 O ATOM 726 CB LEU A 46 5.534 -16.931 -28.606 1.00 74.20 C ATOM 727 CG LEU A 46 6.116 -17.187 -29.996 1.00 61.34 C ATOM 728 CD1 LEU A 46 5.069 -16.931 -31.069 1.00 60.33 C ATOM 729 CD2 LEU A 46 7.344 -16.319 -30.229 1.00 13.43 C ATOM 0 H LEU A 46 5.387 -19.395 -28.579 1.00 4.33 H new ATOM 0 HA LEU A 46 7.183 -17.562 -27.379 1.00 14.44 H new ATOM 0 HB2 LEU A 46 4.459 -17.106 -28.646 1.00 74.20 H new ATOM 0 HB3 LEU A 46 5.677 -15.878 -28.362 1.00 74.20 H new ATOM 0 HG LEU A 46 6.419 -18.233 -30.055 1.00 61.34 H new ATOM 0 HD11 LEU A 46 5.502 -17.118 -32.052 1.00 60.33 H new ATOM 0 HD12 LEU A 46 4.219 -17.596 -30.914 1.00 60.33 H new ATOM 0 HD13 LEU A 46 4.735 -15.895 -31.011 1.00 60.33 H new ATOM 0 HD21 LEU A 46 7.745 -16.515 -31.224 1.00 13.43 H new ATOM 0 HD22 LEU A 46 7.067 -15.268 -30.150 1.00 13.43 H new ATOM 0 HD23 LEU A 46 8.101 -16.552 -29.480 1.00 13.43 H new ATOM 741 N MET A 47 4.146 -17.700 -26.057 1.00 20.45 N ATOM 742 CA MET A 47 3.383 -17.406 -24.849 1.00 51.23 C ATOM 743 C MET A 47 3.972 -18.131 -23.643 1.00 40.43 C ATOM 744 O MET A 47 3.927 -17.626 -22.522 1.00 21.13 O ATOM 745 CB MET A 47 1.918 -17.808 -25.035 1.00 44.32 C ATOM 746 CG MET A 47 1.306 -17.292 -26.327 1.00 51.31 C ATOM 747 SD MET A 47 -0.496 -17.249 -26.273 1.00 2.41 S ATOM 748 CE MET A 47 -0.872 -18.995 -26.138 1.00 12.53 C ATOM 0 H MET A 47 3.605 -18.141 -26.801 1.00 20.45 H new ATOM 0 HA MET A 47 3.438 -16.333 -24.667 1.00 51.23 H new ATOM 0 HB2 MET A 47 1.843 -18.895 -25.016 1.00 44.32 H new ATOM 0 HB3 MET A 47 1.337 -17.433 -24.192 1.00 44.32 H new ATOM 0 HG2 MET A 47 1.684 -16.290 -26.528 1.00 51.31 H new ATOM 0 HG3 MET A 47 1.626 -17.925 -27.154 1.00 51.31 H new ATOM 0 HE1 MET A 47 -1.953 -19.135 -26.130 1.00 12.53 H new ATOM 0 HE2 MET A 47 -0.444 -19.526 -26.988 1.00 12.53 H new ATOM 0 HE3 MET A 47 -0.448 -19.388 -25.214 1.00 12.53 H new ATOM 758 N MET A 48 4.523 -19.316 -23.882 1.00 44.12 N ATOM 759 CA MET A 48 5.122 -20.109 -22.815 1.00 1.13 C ATOM 760 C MET A 48 6.144 -19.288 -22.035 1.00 41.41 C ATOM 761 O MET A 48 6.282 -19.441 -20.822 1.00 13.32 O ATOM 762 CB MET A 48 5.789 -21.359 -23.392 1.00 35.44 C ATOM 763 CG MET A 48 6.731 -22.049 -22.419 1.00 21.32 C ATOM 764 SD MET A 48 5.917 -22.524 -20.881 1.00 63.05 S ATOM 765 CE MET A 48 7.334 -22.871 -19.842 1.00 32.42 C ATOM 0 H MET A 48 4.567 -19.748 -24.805 1.00 44.12 H new ATOM 0 HA MET A 48 4.328 -20.412 -22.132 1.00 1.13 H new ATOM 0 HB2 MET A 48 5.017 -22.064 -23.699 1.00 35.44 H new ATOM 0 HB3 MET A 48 6.344 -21.084 -24.289 1.00 35.44 H new ATOM 0 HG2 MET A 48 7.150 -22.937 -22.893 1.00 21.32 H new ATOM 0 HG3 MET A 48 7.565 -21.384 -22.194 1.00 21.32 H new ATOM 0 HE1 MET A 48 7.115 -22.574 -18.816 1.00 32.42 H new ATOM 0 HE2 MET A 48 7.554 -23.938 -19.871 1.00 32.42 H new ATOM 0 HE3 MET A 48 8.197 -22.312 -20.205 1.00 32.42 H new ATOM 775 N ALA A 49 6.859 -18.417 -22.740 1.00 54.41 N ATOM 776 CA ALA A 49 7.866 -17.570 -22.113 1.00 64.43 C ATOM 777 C ALA A 49 7.261 -16.737 -20.989 1.00 42.30 C ATOM 778 O ALA A 49 7.922 -16.453 -19.989 1.00 71.23 O ATOM 779 CB ALA A 49 8.517 -16.668 -23.151 1.00 1.31 C ATOM 0 H ALA A 49 6.759 -18.280 -23.746 1.00 54.41 H new ATOM 0 HA ALA A 49 8.629 -18.216 -21.679 1.00 64.43 H new ATOM 0 HB1 ALA A 49 9.267 -16.041 -22.669 1.00 1.31 H new ATOM 0 HB2 ALA A 49 8.993 -17.280 -23.917 1.00 1.31 H new ATOM 0 HB3 ALA A 49 7.758 -16.036 -23.612 1.00 1.31 H new ATOM 785 N ILE A 50 6.003 -16.347 -21.160 1.00 14.43 N ATOM 786 CA ILE A 50 5.309 -15.546 -20.159 1.00 2.44 C ATOM 787 C ILE A 50 5.216 -16.287 -18.829 1.00 61.14 C ATOM 788 O ILE A 50 5.083 -15.671 -17.772 1.00 72.35 O ATOM 789 CB ILE A 50 3.890 -15.168 -20.624 1.00 23.34 C ATOM 790 CG1 ILE A 50 3.955 -14.337 -21.906 1.00 54.33 C ATOM 791 CG2 ILE A 50 3.159 -14.407 -19.528 1.00 40.42 C ATOM 792 CD1 ILE A 50 4.610 -12.986 -21.719 1.00 22.52 C ATOM 0 H ILE A 50 5.443 -16.572 -21.982 1.00 14.43 H new ATOM 0 HA ILE A 50 5.893 -14.635 -20.025 1.00 2.44 H new ATOM 0 HB ILE A 50 3.336 -16.083 -20.835 1.00 23.34 H new ATOM 0 HG12 ILE A 50 4.504 -14.896 -22.664 1.00 54.33 H new ATOM 0 HG13 ILE A 50 2.944 -14.192 -22.287 1.00 54.33 H new ATOM 0 HG21 ILE A 50 2.158 -14.147 -19.871 1.00 40.42 H new ATOM 0 HG22 ILE A 50 3.086 -15.032 -18.638 1.00 40.42 H new ATOM 0 HG23 ILE A 50 3.708 -13.497 -19.289 1.00 40.42 H new ATOM 0 HD11 ILE A 50 4.621 -12.452 -22.669 1.00 22.52 H new ATOM 0 HD12 ILE A 50 4.049 -12.408 -20.985 1.00 22.52 H new ATOM 0 HD13 ILE A 50 5.633 -13.123 -21.368 1.00 22.52 H new ATOM 804 N GLU A 51 5.289 -17.613 -18.891 1.00 61.12 N ATOM 805 CA GLU A 51 5.214 -18.438 -17.691 1.00 60.34 C ATOM 806 C GLU A 51 6.568 -18.505 -16.991 1.00 42.30 C ATOM 807 O GLU A 51 6.669 -18.273 -15.786 1.00 53.42 O ATOM 808 CB GLU A 51 4.741 -19.850 -18.045 1.00 52.21 C ATOM 809 CG GLU A 51 3.462 -19.875 -18.866 1.00 22.34 C ATOM 810 CD GLU A 51 2.654 -21.139 -18.647 1.00 32.41 C ATOM 811 OE1 GLU A 51 2.698 -21.686 -17.525 1.00 14.31 O ATOM 812 OE2 GLU A 51 1.977 -21.582 -19.599 1.00 32.04 O ATOM 0 H GLU A 51 5.400 -18.138 -19.758 1.00 61.12 H new ATOM 0 HA GLU A 51 4.495 -17.981 -17.011 1.00 60.34 H new ATOM 0 HB2 GLU A 51 5.529 -20.360 -18.600 1.00 52.21 H new ATOM 0 HB3 GLU A 51 4.583 -20.413 -17.125 1.00 52.21 H new ATOM 0 HG2 GLU A 51 2.852 -19.009 -18.608 1.00 22.34 H new ATOM 0 HG3 GLU A 51 3.711 -19.786 -19.923 1.00 22.34 H new ATOM 819 N VAL A 52 7.608 -18.824 -17.755 1.00 40.11 N ATOM 820 CA VAL A 52 8.957 -18.921 -17.209 1.00 54.34 C ATOM 821 C VAL A 52 9.514 -17.542 -16.874 1.00 41.02 C ATOM 822 O VAL A 52 10.496 -17.420 -16.143 1.00 64.32 O ATOM 823 CB VAL A 52 9.911 -19.623 -18.193 1.00 41.03 C ATOM 824 CG1 VAL A 52 9.572 -21.102 -18.303 1.00 4.24 C ATOM 825 CG2 VAL A 52 9.857 -18.953 -19.558 1.00 14.11 C ATOM 0 H VAL A 52 7.542 -19.020 -18.754 1.00 40.11 H new ATOM 0 HA VAL A 52 8.888 -19.513 -16.297 1.00 54.34 H new ATOM 0 HB VAL A 52 10.928 -19.535 -17.810 1.00 41.03 H new ATOM 0 HG11 VAL A 52 10.257 -21.581 -19.003 1.00 4.24 H new ATOM 0 HG12 VAL A 52 9.667 -21.571 -17.324 1.00 4.24 H new ATOM 0 HG13 VAL A 52 8.549 -21.215 -18.662 1.00 4.24 H new ATOM 0 HG21 VAL A 52 10.537 -19.462 -20.240 1.00 14.11 H new ATOM 0 HG22 VAL A 52 8.841 -19.008 -19.950 1.00 14.11 H new ATOM 0 HG23 VAL A 52 10.153 -17.908 -19.463 1.00 14.11 H new ATOM 835 N GLU A 53 8.880 -16.506 -17.414 1.00 15.24 N ATOM 836 CA GLU A 53 9.313 -15.135 -17.171 1.00 42.13 C ATOM 837 C GLU A 53 8.706 -14.592 -15.881 1.00 24.45 C ATOM 838 O GLU A 53 9.423 -14.136 -14.989 1.00 54.32 O ATOM 839 CB GLU A 53 8.923 -14.238 -18.348 1.00 11.53 C ATOM 840 CG GLU A 53 9.903 -14.294 -19.508 1.00 32.14 C ATOM 841 CD GLU A 53 10.995 -13.247 -19.401 1.00 35.14 C ATOM 842 OE1 GLU A 53 10.685 -12.107 -18.994 1.00 72.44 O ATOM 843 OE2 GLU A 53 12.158 -13.567 -19.723 1.00 14.10 O ATOM 0 H GLU A 53 8.065 -16.590 -18.022 1.00 15.24 H new ATOM 0 HA GLU A 53 10.398 -15.137 -17.068 1.00 42.13 H new ATOM 0 HB2 GLU A 53 7.935 -14.530 -18.704 1.00 11.53 H new ATOM 0 HB3 GLU A 53 8.845 -13.208 -17.999 1.00 11.53 H new ATOM 0 HG2 GLU A 53 10.357 -15.284 -19.548 1.00 32.14 H new ATOM 0 HG3 GLU A 53 9.361 -14.154 -20.443 1.00 32.14 H new ATOM 850 N TYR A 54 7.382 -14.646 -15.788 1.00 44.43 N ATOM 851 CA TYR A 54 6.678 -14.157 -14.609 1.00 22.23 C ATOM 852 C TYR A 54 6.792 -15.151 -13.456 1.00 53.53 C ATOM 853 O TYR A 54 6.695 -14.777 -12.288 1.00 74.40 O ATOM 854 CB TYR A 54 5.205 -13.905 -14.936 1.00 64.11 C ATOM 855 CG TYR A 54 4.914 -12.483 -15.359 1.00 41.10 C ATOM 856 CD1 TYR A 54 5.145 -11.419 -14.495 1.00 64.42 C ATOM 857 CD2 TYR A 54 4.407 -12.203 -16.622 1.00 13.34 C ATOM 858 CE1 TYR A 54 4.880 -10.118 -14.877 1.00 21.52 C ATOM 859 CE2 TYR A 54 4.140 -10.905 -17.012 1.00 52.13 C ATOM 860 CZ TYR A 54 4.378 -9.866 -16.136 1.00 70.34 C ATOM 861 OH TYR A 54 4.112 -8.572 -16.521 1.00 61.23 O ATOM 0 H TYR A 54 6.775 -15.024 -16.515 1.00 44.43 H new ATOM 0 HA TYR A 54 7.141 -13.219 -14.304 1.00 22.23 H new ATOM 0 HB2 TYR A 54 4.897 -14.582 -15.733 1.00 64.11 H new ATOM 0 HB3 TYR A 54 4.601 -14.146 -14.061 1.00 64.11 H new ATOM 0 HD1 TYR A 54 5.538 -11.613 -13.508 1.00 64.42 H new ATOM 0 HD2 TYR A 54 4.219 -13.014 -17.310 1.00 13.34 H new ATOM 0 HE1 TYR A 54 5.065 -9.303 -14.193 1.00 21.52 H new ATOM 0 HE2 TYR A 54 3.747 -10.704 -17.998 1.00 52.13 H new ATOM 0 HH TYR A 54 3.764 -8.568 -17.437 1.00 61.23 H new ATOM 871 N GLY A 55 6.999 -16.419 -13.795 1.00 71.54 N ATOM 872 CA GLY A 55 7.123 -17.448 -12.779 1.00 61.12 C ATOM 873 C GLY A 55 5.780 -18.001 -12.346 1.00 54.43 C ATOM 874 O GLY A 55 5.665 -18.609 -11.282 1.00 63.41 O ATOM 0 H GLY A 55 7.083 -16.753 -14.755 1.00 71.54 H new ATOM 0 HA2 GLY A 55 7.740 -18.260 -13.163 1.00 61.12 H new ATOM 0 HA3 GLY A 55 7.640 -17.037 -11.912 1.00 61.12 H new ATOM 878 N ILE A 56 4.760 -17.787 -13.171 1.00 42.13 N ATOM 879 CA ILE A 56 3.418 -18.268 -12.867 1.00 42.31 C ATOM 880 C ILE A 56 2.989 -19.355 -13.846 1.00 32.31 C ATOM 881 O ILE A 56 3.751 -19.744 -14.731 1.00 52.14 O ATOM 882 CB ILE A 56 2.388 -17.123 -12.904 1.00 62.35 C ATOM 883 CG1 ILE A 56 2.510 -16.341 -14.214 1.00 2.23 C ATOM 884 CG2 ILE A 56 2.578 -16.201 -11.710 1.00 2.51 C ATOM 885 CD1 ILE A 56 1.302 -15.483 -14.520 1.00 5.25 C ATOM 0 H ILE A 56 4.838 -17.284 -14.055 1.00 42.13 H new ATOM 0 HA ILE A 56 3.452 -18.683 -11.860 1.00 42.31 H new ATOM 0 HB ILE A 56 1.387 -17.552 -12.851 1.00 62.35 H new ATOM 0 HG12 ILE A 56 3.394 -15.706 -14.168 1.00 2.23 H new ATOM 0 HG13 ILE A 56 2.664 -17.043 -15.034 1.00 2.23 H new ATOM 0 HG21 ILE A 56 1.843 -15.397 -11.750 1.00 2.51 H new ATOM 0 HG22 ILE A 56 2.446 -16.768 -10.788 1.00 2.51 H new ATOM 0 HG23 ILE A 56 3.582 -15.776 -11.734 1.00 2.51 H new ATOM 0 HD11 ILE A 56 1.458 -14.958 -15.462 1.00 5.25 H new ATOM 0 HD12 ILE A 56 0.417 -16.115 -14.599 1.00 5.25 H new ATOM 0 HD13 ILE A 56 1.159 -14.757 -13.719 1.00 5.25 H new ATOM 897 N ASP A 57 1.763 -19.841 -13.681 1.00 65.24 N ATOM 898 CA ASP A 57 1.230 -20.882 -14.552 1.00 65.34 C ATOM 899 C ASP A 57 -0.001 -20.385 -15.302 1.00 74.35 C ATOM 900 O ASP A 57 -0.795 -19.611 -14.768 1.00 11.45 O ATOM 901 CB ASP A 57 0.879 -22.128 -13.738 1.00 12.03 C ATOM 902 CG ASP A 57 2.077 -22.697 -13.003 1.00 51.14 C ATOM 903 OD1 ASP A 57 2.909 -23.363 -13.653 1.00 43.25 O ATOM 904 OD2 ASP A 57 2.182 -22.477 -11.778 1.00 52.23 O ATOM 0 H ASP A 57 1.120 -19.531 -12.952 1.00 65.24 H new ATOM 0 HA ASP A 57 1.998 -21.139 -15.281 1.00 65.34 H new ATOM 0 HB2 ASP A 57 0.099 -21.880 -13.018 1.00 12.03 H new ATOM 0 HB3 ASP A 57 0.469 -22.889 -14.402 1.00 12.03 H new ATOM 909 N ILE A 58 -0.154 -20.835 -16.543 1.00 64.24 N ATOM 910 CA ILE A 58 -1.289 -20.436 -17.366 1.00 64.03 C ATOM 911 C ILE A 58 -1.750 -21.583 -18.259 1.00 55.42 C ATOM 912 O ILE A 58 -1.221 -21.806 -19.348 1.00 72.41 O ATOM 913 CB ILE A 58 -0.945 -19.220 -18.247 1.00 73.33 C ATOM 914 CG1 ILE A 58 -0.556 -18.025 -17.375 1.00 55.44 C ATOM 915 CG2 ILE A 58 -2.122 -18.868 -19.145 1.00 42.21 C ATOM 916 CD1 ILE A 58 0.917 -17.979 -17.035 1.00 14.04 C ATOM 0 H ILE A 58 0.494 -21.476 -17.001 1.00 64.24 H new ATOM 0 HA ILE A 58 -2.094 -20.164 -16.684 1.00 64.03 H new ATOM 0 HB ILE A 58 -0.095 -19.476 -18.879 1.00 73.33 H new ATOM 0 HG12 ILE A 58 -0.830 -17.105 -17.891 1.00 55.44 H new ATOM 0 HG13 ILE A 58 -1.133 -18.057 -16.451 1.00 55.44 H new ATOM 0 HG21 ILE A 58 -1.864 -18.007 -19.762 1.00 42.21 H new ATOM 0 HG22 ILE A 58 -2.356 -19.717 -19.787 1.00 42.21 H new ATOM 0 HG23 ILE A 58 -2.989 -18.627 -18.530 1.00 42.21 H new ATOM 0 HD11 ILE A 58 1.120 -17.106 -16.415 1.00 14.04 H new ATOM 0 HD12 ILE A 58 1.193 -18.882 -16.491 1.00 14.04 H new ATOM 0 HD13 ILE A 58 1.501 -17.915 -17.953 1.00 14.04 H new ATOM 928 N PRO A 59 -2.763 -22.327 -17.790 1.00 51.23 N ATOM 929 CA PRO A 59 -3.321 -23.462 -18.532 1.00 1.33 C ATOM 930 C PRO A 59 -4.090 -23.022 -19.773 1.00 3.21 C ATOM 931 O PRO A 59 -4.450 -21.852 -19.910 1.00 22.53 O ATOM 932 CB PRO A 59 -4.266 -24.115 -17.521 1.00 34.51 C ATOM 933 CG PRO A 59 -4.644 -23.016 -16.589 1.00 52.14 C ATOM 934 CD PRO A 59 -3.442 -22.117 -16.500 1.00 61.25 C ATOM 0 HA PRO A 59 -2.543 -24.129 -18.902 1.00 1.33 H new ATOM 0 HB2 PRO A 59 -5.143 -24.535 -18.013 1.00 34.51 H new ATOM 0 HB3 PRO A 59 -3.776 -24.932 -16.991 1.00 34.51 H new ATOM 0 HG2 PRO A 59 -5.512 -22.471 -16.960 1.00 52.14 H new ATOM 0 HG3 PRO A 59 -4.910 -23.410 -15.608 1.00 52.14 H new ATOM 0 HD2 PRO A 59 -3.729 -21.075 -16.362 1.00 61.25 H new ATOM 0 HD3 PRO A 59 -2.801 -22.385 -15.660 1.00 61.25 H new ATOM 942 N ASP A 60 -4.338 -23.965 -20.674 1.00 72.34 N ATOM 943 CA ASP A 60 -5.066 -23.675 -21.904 1.00 71.13 C ATOM 944 C ASP A 60 -6.376 -22.954 -21.603 1.00 51.20 C ATOM 945 O ASP A 60 -6.801 -22.078 -22.356 1.00 55.05 O ATOM 946 CB ASP A 60 -5.346 -24.967 -22.673 1.00 70.15 C ATOM 947 CG ASP A 60 -4.186 -25.377 -23.559 1.00 4.30 C ATOM 948 OD1 ASP A 60 -3.965 -24.712 -24.593 1.00 64.22 O ATOM 949 OD2 ASP A 60 -3.498 -26.361 -23.217 1.00 61.23 O ATOM 0 H ASP A 60 -4.046 -24.937 -20.576 1.00 72.34 H new ATOM 0 HA ASP A 60 -4.446 -23.023 -22.519 1.00 71.13 H new ATOM 0 HB2 ASP A 60 -5.560 -25.768 -21.966 1.00 70.15 H new ATOM 0 HB3 ASP A 60 -6.238 -24.836 -23.285 1.00 70.15 H new ATOM 954 N ASP A 61 -7.011 -23.328 -20.498 1.00 72.51 N ATOM 955 CA ASP A 61 -8.273 -22.718 -20.097 1.00 11.50 C ATOM 956 C ASP A 61 -8.114 -21.211 -19.916 1.00 72.11 C ATOM 957 O ASP A 61 -9.026 -20.441 -20.217 1.00 63.31 O ATOM 958 CB ASP A 61 -8.780 -23.349 -18.799 1.00 53.25 C ATOM 959 CG ASP A 61 -10.276 -23.181 -18.620 1.00 12.41 C ATOM 960 OD1 ASP A 61 -10.801 -22.108 -18.987 1.00 33.25 O ATOM 961 OD2 ASP A 61 -10.922 -24.122 -18.113 1.00 50.55 O ATOM 0 H ASP A 61 -6.672 -24.051 -19.864 1.00 72.51 H new ATOM 0 HA ASP A 61 -9.002 -22.897 -20.887 1.00 11.50 H new ATOM 0 HB2 ASP A 61 -8.533 -24.411 -18.794 1.00 53.25 H new ATOM 0 HB3 ASP A 61 -8.263 -22.897 -17.953 1.00 53.25 H new ATOM 966 N GLU A 62 -6.951 -20.799 -19.422 1.00 11.14 N ATOM 967 CA GLU A 62 -6.675 -19.385 -19.199 1.00 43.50 C ATOM 968 C GLU A 62 -5.710 -18.847 -20.252 1.00 1.52 C ATOM 969 O GLU A 62 -5.181 -17.743 -20.118 1.00 74.25 O ATOM 970 CB GLU A 62 -6.092 -19.170 -17.800 1.00 53.25 C ATOM 971 CG GLU A 62 -6.881 -19.861 -16.700 1.00 45.53 C ATOM 972 CD GLU A 62 -8.253 -19.249 -16.494 1.00 23.12 C ATOM 973 OE1 GLU A 62 -9.016 -19.159 -17.478 1.00 62.54 O ATOM 974 OE2 GLU A 62 -8.563 -18.860 -15.349 1.00 34.34 O ATOM 0 H GLU A 62 -6.185 -21.424 -19.169 1.00 11.14 H new ATOM 0 HA GLU A 62 -7.616 -18.840 -19.280 1.00 43.50 H new ATOM 0 HB2 GLU A 62 -5.065 -19.535 -17.783 1.00 53.25 H new ATOM 0 HB3 GLU A 62 -6.054 -18.101 -17.592 1.00 53.25 H new ATOM 0 HG2 GLU A 62 -6.992 -20.917 -16.946 1.00 45.53 H new ATOM 0 HG3 GLU A 62 -6.320 -19.808 -15.767 1.00 45.53 H new ATOM 981 N ALA A 63 -5.485 -19.635 -21.298 1.00 12.21 N ATOM 982 CA ALA A 63 -4.586 -19.238 -22.374 1.00 62.11 C ATOM 983 C ALA A 63 -5.075 -17.966 -23.057 1.00 40.44 C ATOM 984 O ALA A 63 -4.283 -17.198 -23.605 1.00 62.12 O ATOM 985 CB ALA A 63 -4.447 -20.364 -23.388 1.00 71.01 C ATOM 0 H ALA A 63 -5.913 -20.552 -21.423 1.00 12.21 H new ATOM 0 HA ALA A 63 -3.608 -19.032 -21.939 1.00 62.11 H new ATOM 0 HB1 ALA A 63 -3.773 -20.054 -24.186 1.00 71.01 H new ATOM 0 HB2 ALA A 63 -4.044 -21.249 -22.896 1.00 71.01 H new ATOM 0 HB3 ALA A 63 -5.425 -20.597 -23.809 1.00 71.01 H new ATOM 991 N THR A 64 -6.386 -17.747 -23.022 1.00 61.05 N ATOM 992 CA THR A 64 -6.981 -16.569 -23.640 1.00 0.42 C ATOM 993 C THR A 64 -7.306 -15.506 -22.596 1.00 73.12 C ATOM 994 O THR A 64 -8.087 -14.589 -22.851 1.00 51.11 O ATOM 995 CB THR A 64 -8.266 -16.926 -24.410 1.00 33.22 C ATOM 996 OG1 THR A 64 -9.325 -17.214 -23.489 1.00 63.23 O ATOM 997 CG2 THR A 64 -8.037 -18.125 -25.318 1.00 52.21 C ATOM 0 H THR A 64 -7.056 -18.371 -22.572 1.00 61.05 H new ATOM 0 HA THR A 64 -6.245 -16.174 -24.341 1.00 0.42 H new ATOM 0 HB THR A 64 -8.544 -16.071 -25.026 1.00 33.22 H new ATOM 0 HG1 THR A 64 -10.139 -17.438 -23.986 1.00 63.23 H new ATOM 0 HG21 THR A 64 -8.958 -18.359 -25.852 1.00 52.21 H new ATOM 0 HG22 THR A 64 -7.251 -17.893 -26.036 1.00 52.21 H new ATOM 0 HG23 THR A 64 -7.738 -18.984 -24.718 1.00 52.21 H new ATOM 1005 N LYS A 65 -6.702 -15.635 -21.420 1.00 14.33 N ATOM 1006 CA LYS A 65 -6.926 -14.684 -20.337 1.00 22.54 C ATOM 1007 C LYS A 65 -5.681 -13.838 -20.090 1.00 51.11 C ATOM 1008 O LYS A 65 -5.650 -13.016 -19.174 1.00 23.24 O ATOM 1009 CB LYS A 65 -7.315 -15.424 -19.054 1.00 40.43 C ATOM 1010 CG LYS A 65 -8.201 -14.609 -18.128 1.00 3.24 C ATOM 1011 CD LYS A 65 -9.607 -14.464 -18.685 1.00 43.42 C ATOM 1012 CE LYS A 65 -10.518 -15.580 -18.197 1.00 42.44 C ATOM 1013 NZ LYS A 65 -10.668 -15.565 -16.716 1.00 14.01 N ATOM 0 H LYS A 65 -6.054 -16.389 -21.192 1.00 14.33 H new ATOM 0 HA LYS A 65 -7.741 -14.023 -20.630 1.00 22.54 H new ATOM 0 HB2 LYS A 65 -7.832 -16.347 -19.319 1.00 40.43 H new ATOM 0 HB3 LYS A 65 -6.409 -15.708 -18.519 1.00 40.43 H new ATOM 0 HG2 LYS A 65 -8.244 -15.088 -17.150 1.00 3.24 H new ATOM 0 HG3 LYS A 65 -7.764 -13.622 -17.981 1.00 3.24 H new ATOM 0 HD2 LYS A 65 -10.020 -13.500 -18.388 1.00 43.42 H new ATOM 0 HD3 LYS A 65 -9.571 -14.473 -19.774 1.00 43.42 H new ATOM 0 HE2 LYS A 65 -11.498 -15.478 -18.662 1.00 42.44 H new ATOM 0 HE3 LYS A 65 -10.114 -16.542 -18.511 1.00 42.44 H new ATOM 0 HZ1 LYS A 65 -11.583 -15.985 -16.455 1.00 14.01 H new ATOM 0 HZ2 LYS A 65 -9.899 -16.115 -16.284 1.00 14.01 H new ATOM 0 HZ3 LYS A 65 -10.627 -14.584 -16.373 1.00 14.01 H new ATOM 1027 N ILE A 66 -4.659 -14.043 -20.914 1.00 20.00 N ATOM 1028 CA ILE A 66 -3.414 -13.296 -20.786 1.00 63.41 C ATOM 1029 C ILE A 66 -2.808 -12.999 -22.154 1.00 13.23 C ATOM 1030 O ILE A 66 -1.645 -12.610 -22.259 1.00 22.20 O ATOM 1031 CB ILE A 66 -2.383 -14.063 -19.937 1.00 4.45 C ATOM 1032 CG1 ILE A 66 -1.659 -15.105 -20.791 1.00 72.51 C ATOM 1033 CG2 ILE A 66 -3.063 -14.724 -18.747 1.00 41.12 C ATOM 1034 CD1 ILE A 66 -2.595 -16.009 -21.563 1.00 13.20 C ATOM 0 H ILE A 66 -4.669 -14.720 -21.677 1.00 20.00 H new ATOM 0 HA ILE A 66 -3.658 -12.358 -20.288 1.00 63.41 H new ATOM 0 HB ILE A 66 -1.645 -13.354 -19.561 1.00 4.45 H new ATOM 0 HG12 ILE A 66 -1.000 -14.594 -21.493 1.00 72.51 H new ATOM 0 HG13 ILE A 66 -1.027 -15.715 -20.146 1.00 72.51 H new ATOM 0 HG21 ILE A 66 -2.321 -15.262 -18.157 1.00 41.12 H new ATOM 0 HG22 ILE A 66 -3.535 -13.961 -18.128 1.00 41.12 H new ATOM 0 HG23 ILE A 66 -3.820 -15.423 -19.103 1.00 41.12 H new ATOM 0 HD11 ILE A 66 -2.013 -16.723 -22.146 1.00 13.20 H new ATOM 0 HD12 ILE A 66 -3.237 -16.548 -20.866 1.00 13.20 H new ATOM 0 HD13 ILE A 66 -3.210 -15.409 -22.233 1.00 13.20 H new ATOM 1046 N LYS A 67 -3.606 -13.182 -23.200 1.00 52.13 N ATOM 1047 CA LYS A 67 -3.152 -12.930 -24.563 1.00 23.43 C ATOM 1048 C LYS A 67 -3.010 -11.434 -24.822 1.00 15.24 C ATOM 1049 O LYS A 67 -1.963 -10.966 -25.270 1.00 72.54 O ATOM 1050 CB LYS A 67 -4.128 -13.543 -25.569 1.00 52.03 C ATOM 1051 CG LYS A 67 -3.558 -13.667 -26.972 1.00 13.43 C ATOM 1052 CD LYS A 67 -2.888 -15.014 -27.185 1.00 0.55 C ATOM 1053 CE LYS A 67 -3.132 -15.542 -28.590 1.00 11.22 C ATOM 1054 NZ LYS A 67 -1.987 -15.253 -29.497 1.00 73.25 N ATOM 0 H LYS A 67 -4.571 -13.504 -23.130 1.00 52.13 H new ATOM 0 HA LYS A 67 -2.174 -13.396 -24.685 1.00 23.43 H new ATOM 0 HB2 LYS A 67 -4.425 -14.531 -25.218 1.00 52.03 H new ATOM 0 HB3 LYS A 67 -5.030 -12.933 -25.605 1.00 52.03 H new ATOM 0 HG2 LYS A 67 -4.356 -13.537 -27.703 1.00 13.43 H new ATOM 0 HG3 LYS A 67 -2.836 -12.869 -27.144 1.00 13.43 H new ATOM 0 HD2 LYS A 67 -1.816 -14.920 -27.012 1.00 0.55 H new ATOM 0 HD3 LYS A 67 -3.267 -15.730 -26.455 1.00 0.55 H new ATOM 0 HE2 LYS A 67 -3.301 -16.618 -28.549 1.00 11.22 H new ATOM 0 HE3 LYS A 67 -4.039 -15.092 -28.995 1.00 11.22 H new ATOM 0 HZ1 LYS A 67 -2.199 -15.614 -30.449 1.00 73.25 H new ATOM 0 HZ2 LYS A 67 -1.831 -14.226 -29.543 1.00 73.25 H new ATOM 0 HZ3 LYS A 67 -1.130 -15.718 -29.134 1.00 73.25 H new ATOM 1068 N THR A 68 -4.071 -10.685 -24.535 1.00 32.43 N ATOM 1069 CA THR A 68 -4.065 -9.242 -24.736 1.00 52.01 C ATOM 1070 C THR A 68 -3.350 -8.530 -23.593 1.00 73.32 C ATOM 1071 O THR A 68 -3.404 -8.970 -22.445 1.00 24.04 O ATOM 1072 CB THR A 68 -5.496 -8.686 -24.857 1.00 14.41 C ATOM 1073 OG1 THR A 68 -6.439 -9.763 -24.894 1.00 52.24 O ATOM 1074 CG2 THR A 68 -5.642 -7.834 -26.109 1.00 10.32 C ATOM 0 H THR A 68 -4.945 -11.055 -24.162 1.00 32.43 H new ATOM 0 HA THR A 68 -3.530 -9.055 -25.667 1.00 52.01 H new ATOM 0 HB THR A 68 -5.694 -8.061 -23.986 1.00 14.41 H new ATOM 0 HG1 THR A 68 -7.054 -9.686 -24.135 1.00 52.24 H new ATOM 0 HG21 THR A 68 -6.661 -7.453 -26.173 1.00 10.32 H new ATOM 0 HG22 THR A 68 -4.944 -6.998 -26.064 1.00 10.32 H new ATOM 0 HG23 THR A 68 -5.426 -8.440 -26.989 1.00 10.32 H new ATOM 1082 N VAL A 69 -2.681 -7.428 -23.915 1.00 55.50 N ATOM 1083 CA VAL A 69 -1.957 -6.653 -22.914 1.00 60.42 C ATOM 1084 C VAL A 69 -2.863 -6.279 -21.747 1.00 34.10 C ATOM 1085 O VAL A 69 -2.401 -6.109 -20.619 1.00 15.13 O ATOM 1086 CB VAL A 69 -1.363 -5.368 -23.521 1.00 25.41 C ATOM 1087 CG1 VAL A 69 -0.480 -4.657 -22.506 1.00 73.32 C ATOM 1088 CG2 VAL A 69 -0.582 -5.689 -24.786 1.00 42.05 C ATOM 0 H VAL A 69 -2.625 -7.051 -24.861 1.00 55.50 H new ATOM 0 HA VAL A 69 -1.145 -7.284 -22.552 1.00 60.42 H new ATOM 0 HB VAL A 69 -2.182 -4.699 -23.786 1.00 25.41 H new ATOM 0 HG11 VAL A 69 -0.069 -3.751 -22.952 1.00 73.32 H new ATOM 0 HG12 VAL A 69 -1.072 -4.393 -21.630 1.00 73.32 H new ATOM 0 HG13 VAL A 69 0.335 -5.316 -22.208 1.00 73.32 H new ATOM 0 HG21 VAL A 69 -0.169 -4.770 -25.202 1.00 42.05 H new ATOM 0 HG22 VAL A 69 0.230 -6.376 -24.548 1.00 42.05 H new ATOM 0 HG23 VAL A 69 -1.246 -6.151 -25.516 1.00 42.05 H new ATOM 1098 N SER A 70 -4.157 -6.153 -22.026 1.00 42.11 N ATOM 1099 CA SER A 70 -5.129 -5.795 -21.000 1.00 21.44 C ATOM 1100 C SER A 70 -5.485 -7.007 -20.143 1.00 52.24 C ATOM 1101 O SER A 70 -5.749 -6.880 -18.948 1.00 2.45 O ATOM 1102 CB SER A 70 -6.393 -5.221 -21.642 1.00 70.34 C ATOM 1103 OG SER A 70 -7.294 -6.253 -22.007 1.00 25.13 O ATOM 0 H SER A 70 -4.556 -6.294 -22.954 1.00 42.11 H new ATOM 0 HA SER A 70 -4.680 -5.037 -20.358 1.00 21.44 H new ATOM 0 HB2 SER A 70 -6.880 -4.538 -20.946 1.00 70.34 H new ATOM 0 HB3 SER A 70 -6.125 -4.639 -22.524 1.00 70.34 H new ATOM 0 HG SER A 70 -8.094 -5.860 -22.413 1.00 25.13 H new ATOM 1109 N ASP A 71 -5.491 -8.181 -20.764 1.00 71.05 N ATOM 1110 CA ASP A 71 -5.814 -9.417 -20.061 1.00 2.34 C ATOM 1111 C ASP A 71 -4.590 -9.961 -19.330 1.00 34.32 C ATOM 1112 O ASP A 71 -4.715 -10.723 -18.371 1.00 71.51 O ATOM 1113 CB ASP A 71 -6.345 -10.463 -21.041 1.00 74.40 C ATOM 1114 CG ASP A 71 -7.627 -10.023 -21.720 1.00 14.43 C ATOM 1115 OD1 ASP A 71 -8.321 -9.144 -21.165 1.00 41.02 O ATOM 1116 OD2 ASP A 71 -7.937 -10.555 -22.806 1.00 21.44 O ATOM 0 H ASP A 71 -5.276 -8.303 -21.754 1.00 71.05 H new ATOM 0 HA ASP A 71 -6.587 -9.196 -19.325 1.00 2.34 H new ATOM 0 HB2 ASP A 71 -5.587 -10.665 -21.798 1.00 74.40 H new ATOM 0 HB3 ASP A 71 -6.521 -11.398 -20.509 1.00 74.40 H new ATOM 1121 N VAL A 72 -3.408 -9.566 -19.790 1.00 42.31 N ATOM 1122 CA VAL A 72 -2.161 -10.014 -19.181 1.00 14.25 C ATOM 1123 C VAL A 72 -2.072 -9.572 -17.724 1.00 70.21 C ATOM 1124 O VAL A 72 -2.086 -10.400 -16.812 1.00 44.43 O ATOM 1125 CB VAL A 72 -0.937 -9.475 -19.945 1.00 34.31 C ATOM 1126 CG1 VAL A 72 0.350 -9.870 -19.238 1.00 21.51 C ATOM 1127 CG2 VAL A 72 -0.943 -9.978 -21.381 1.00 1.14 C ATOM 0 H VAL A 72 -3.287 -8.936 -20.583 1.00 42.31 H new ATOM 0 HA VAL A 72 -2.159 -11.103 -19.229 1.00 14.25 H new ATOM 0 HB VAL A 72 -0.992 -8.387 -19.965 1.00 34.31 H new ATOM 0 HG11 VAL A 72 1.204 -9.480 -19.792 1.00 21.51 H new ATOM 0 HG12 VAL A 72 0.353 -9.457 -18.229 1.00 21.51 H new ATOM 0 HG13 VAL A 72 0.417 -10.957 -19.185 1.00 21.51 H new ATOM 0 HG21 VAL A 72 -0.072 -9.588 -21.907 1.00 1.14 H new ATOM 0 HG22 VAL A 72 -0.912 -11.068 -21.385 1.00 1.14 H new ATOM 0 HG23 VAL A 72 -1.850 -9.639 -21.881 1.00 1.14 H new ATOM 1137 N ILE A 73 -1.981 -8.264 -17.513 1.00 52.50 N ATOM 1138 CA ILE A 73 -1.891 -7.712 -16.167 1.00 13.22 C ATOM 1139 C ILE A 73 -3.187 -7.933 -15.394 1.00 73.14 C ATOM 1140 O ILE A 73 -3.194 -7.954 -14.163 1.00 62.54 O ATOM 1141 CB ILE A 73 -1.575 -6.205 -16.196 1.00 11.20 C ATOM 1142 CG1 ILE A 73 -0.374 -5.931 -17.103 1.00 40.14 C ATOM 1143 CG2 ILE A 73 -1.310 -5.692 -14.788 1.00 53.14 C ATOM 1144 CD1 ILE A 73 0.897 -6.610 -16.644 1.00 44.13 C ATOM 0 H ILE A 73 -1.968 -7.566 -18.257 1.00 52.50 H new ATOM 0 HA ILE A 73 -1.077 -8.236 -15.665 1.00 13.22 H new ATOM 0 HB ILE A 73 -2.439 -5.675 -16.598 1.00 11.20 H new ATOM 0 HG12 ILE A 73 -0.609 -6.263 -18.114 1.00 40.14 H new ATOM 0 HG13 ILE A 73 -0.204 -4.855 -17.153 1.00 40.14 H new ATOM 0 HG21 ILE A 73 -1.088 -4.625 -14.825 1.00 53.14 H new ATOM 0 HG22 ILE A 73 -2.191 -5.858 -14.168 1.00 53.14 H new ATOM 0 HG23 ILE A 73 -0.460 -6.225 -14.361 1.00 53.14 H new ATOM 0 HD11 ILE A 73 1.706 -6.372 -17.334 1.00 44.13 H new ATOM 0 HD12 ILE A 73 1.157 -6.259 -15.645 1.00 44.13 H new ATOM 0 HD13 ILE A 73 0.745 -7.689 -16.622 1.00 44.13 H new ATOM 1156 N LYS A 74 -4.284 -8.099 -16.125 1.00 73.35 N ATOM 1157 CA LYS A 74 -5.587 -8.323 -15.511 1.00 15.42 C ATOM 1158 C LYS A 74 -5.645 -9.691 -14.840 1.00 32.22 C ATOM 1159 O LYS A 74 -5.964 -9.800 -13.655 1.00 45.43 O ATOM 1160 CB LYS A 74 -6.695 -8.210 -16.560 1.00 74.34 C ATOM 1161 CG LYS A 74 -8.073 -8.568 -16.031 1.00 73.21 C ATOM 1162 CD LYS A 74 -8.401 -10.032 -16.274 1.00 53.24 C ATOM 1163 CE LYS A 74 -8.850 -10.722 -14.996 1.00 20.53 C ATOM 1164 NZ LYS A 74 -10.334 -10.801 -14.899 1.00 61.22 N ATOM 0 H LYS A 74 -4.296 -8.083 -17.145 1.00 73.35 H new ATOM 0 HA LYS A 74 -5.737 -7.558 -14.749 1.00 15.42 H new ATOM 0 HB2 LYS A 74 -6.717 -7.190 -16.945 1.00 74.34 H new ATOM 0 HB3 LYS A 74 -6.457 -8.863 -17.400 1.00 74.34 H new ATOM 0 HG2 LYS A 74 -8.120 -8.356 -14.963 1.00 73.21 H new ATOM 0 HG3 LYS A 74 -8.823 -7.941 -16.513 1.00 73.21 H new ATOM 0 HD2 LYS A 74 -9.186 -10.110 -17.026 1.00 53.24 H new ATOM 0 HD3 LYS A 74 -7.524 -10.541 -16.675 1.00 53.24 H new ATOM 0 HE2 LYS A 74 -8.430 -11.727 -14.959 1.00 20.53 H new ATOM 0 HE3 LYS A 74 -8.458 -10.181 -14.135 1.00 20.53 H new ATOM 0 HZ1 LYS A 74 -10.599 -11.278 -14.014 1.00 61.22 H new ATOM 0 HZ2 LYS A 74 -10.734 -9.841 -14.908 1.00 61.22 H new ATOM 0 HZ3 LYS A 74 -10.707 -11.339 -15.707 1.00 61.22 H new ATOM 1178 N TYR A 75 -5.334 -10.733 -15.603 1.00 53.32 N ATOM 1179 CA TYR A 75 -5.352 -12.094 -15.082 1.00 61.54 C ATOM 1180 C TYR A 75 -4.136 -12.356 -14.199 1.00 3.41 C ATOM 1181 O TYR A 75 -4.269 -12.771 -13.048 1.00 30.54 O ATOM 1182 CB TYR A 75 -5.387 -13.102 -16.232 1.00 65.44 C ATOM 1183 CG TYR A 75 -5.250 -14.539 -15.782 1.00 74.45 C ATOM 1184 CD1 TYR A 75 -6.364 -15.276 -15.398 1.00 12.35 C ATOM 1185 CD2 TYR A 75 -4.008 -15.161 -15.741 1.00 54.32 C ATOM 1186 CE1 TYR A 75 -6.245 -16.589 -14.985 1.00 2.20 C ATOM 1187 CE2 TYR A 75 -3.880 -16.474 -15.332 1.00 3.44 C ATOM 1188 CZ TYR A 75 -5.001 -17.183 -14.954 1.00 64.42 C ATOM 1189 OH TYR A 75 -4.876 -18.491 -14.544 1.00 74.01 O ATOM 0 H TYR A 75 -5.066 -10.661 -16.585 1.00 53.32 H new ATOM 0 HA TYR A 75 -6.250 -12.212 -14.476 1.00 61.54 H new ATOM 0 HB2 TYR A 75 -6.325 -12.988 -16.775 1.00 65.44 H new ATOM 0 HB3 TYR A 75 -4.583 -12.871 -16.931 1.00 65.44 H new ATOM 0 HD1 TYR A 75 -7.340 -14.814 -15.423 1.00 12.35 H new ATOM 0 HD2 TYR A 75 -3.128 -14.608 -16.034 1.00 54.32 H new ATOM 0 HE1 TYR A 75 -7.121 -17.147 -14.688 1.00 2.20 H new ATOM 0 HE2 TYR A 75 -2.907 -16.943 -15.308 1.00 3.44 H new ATOM 0 HH TYR A 75 -3.934 -18.757 -14.582 1.00 74.01 H new ATOM 1199 N ILE A 76 -2.951 -12.108 -14.747 1.00 2.34 N ATOM 1200 CA ILE A 76 -1.711 -12.314 -14.009 1.00 3.11 C ATOM 1201 C ILE A 76 -1.778 -11.669 -12.629 1.00 14.12 C ATOM 1202 O ILE A 76 -1.134 -12.126 -11.685 1.00 22.42 O ATOM 1203 CB ILE A 76 -0.501 -11.743 -14.771 1.00 45.23 C ATOM 1204 CG1 ILE A 76 -0.267 -12.528 -16.064 1.00 15.03 C ATOM 1205 CG2 ILE A 76 0.742 -11.776 -13.894 1.00 11.42 C ATOM 1206 CD1 ILE A 76 0.881 -11.999 -16.894 1.00 1.35 C ATOM 0 H ILE A 76 -2.824 -11.764 -15.699 1.00 2.34 H new ATOM 0 HA ILE A 76 -1.586 -13.391 -13.898 1.00 3.11 H new ATOM 0 HB ILE A 76 -0.712 -10.706 -15.031 1.00 45.23 H new ATOM 0 HG12 ILE A 76 -0.074 -13.572 -15.816 1.00 15.03 H new ATOM 0 HG13 ILE A 76 -1.178 -12.506 -16.663 1.00 15.03 H new ATOM 0 HG21 ILE A 76 1.588 -11.369 -14.447 1.00 11.42 H new ATOM 0 HG22 ILE A 76 0.572 -11.177 -12.999 1.00 11.42 H new ATOM 0 HG23 ILE A 76 0.957 -12.805 -13.607 1.00 11.42 H new ATOM 0 HD11 ILE A 76 0.988 -12.604 -17.794 1.00 1.35 H new ATOM 0 HD12 ILE A 76 0.682 -10.964 -17.173 1.00 1.35 H new ATOM 0 HD13 ILE A 76 1.802 -12.047 -16.313 1.00 1.35 H new ATOM 1218 N LYS A 77 -2.565 -10.604 -12.518 1.00 1.35 N ATOM 1219 CA LYS A 77 -2.721 -9.896 -11.252 1.00 62.03 C ATOM 1220 C LYS A 77 -3.319 -10.810 -10.188 1.00 23.24 C ATOM 1221 O LYS A 77 -2.659 -11.146 -9.205 1.00 34.24 O ATOM 1222 CB LYS A 77 -3.609 -8.664 -11.440 1.00 35.25 C ATOM 1223 CG LYS A 77 -4.183 -8.125 -10.141 1.00 3.34 C ATOM 1224 CD LYS A 77 -4.722 -6.715 -10.312 1.00 54.34 C ATOM 1225 CE LYS A 77 -5.284 -6.170 -9.008 1.00 3.11 C ATOM 1226 NZ LYS A 77 -5.414 -4.687 -9.037 1.00 13.23 N ATOM 0 H LYS A 77 -3.105 -10.212 -13.289 1.00 1.35 H new ATOM 0 HA LYS A 77 -1.734 -9.577 -10.918 1.00 62.03 H new ATOM 0 HB2 LYS A 77 -3.029 -7.879 -11.925 1.00 35.25 H new ATOM 0 HB3 LYS A 77 -4.429 -8.916 -12.113 1.00 35.25 H new ATOM 0 HG2 LYS A 77 -4.982 -8.781 -9.795 1.00 3.34 H new ATOM 0 HG3 LYS A 77 -3.411 -8.130 -9.372 1.00 3.34 H new ATOM 0 HD2 LYS A 77 -3.926 -6.061 -10.668 1.00 54.34 H new ATOM 0 HD3 LYS A 77 -5.501 -6.712 -11.074 1.00 54.34 H new ATOM 0 HE2 LYS A 77 -6.260 -6.616 -8.819 1.00 3.11 H new ATOM 0 HE3 LYS A 77 -4.635 -6.462 -8.183 1.00 3.11 H new ATOM 0 HZ1 LYS A 77 -5.800 -4.355 -8.130 1.00 13.23 H new ATOM 0 HZ2 LYS A 77 -4.479 -4.260 -9.192 1.00 13.23 H new ATOM 0 HZ3 LYS A 77 -6.054 -4.410 -9.808 1.00 13.23 H new ATOM 1240 N GLU A 78 -4.570 -11.210 -10.392 1.00 12.42 N ATOM 1241 CA GLU A 78 -5.255 -12.086 -9.449 1.00 12.44 C ATOM 1242 C GLU A 78 -4.521 -13.416 -9.311 1.00 34.44 C ATOM 1243 O GLU A 78 -4.605 -14.079 -8.277 1.00 33.34 O ATOM 1244 CB GLU A 78 -6.697 -12.330 -9.900 1.00 3.12 C ATOM 1245 CG GLU A 78 -7.417 -13.393 -9.088 1.00 22.24 C ATOM 1246 CD GLU A 78 -7.585 -13.001 -7.632 1.00 61.44 C ATOM 1247 OE1 GLU A 78 -6.558 -12.791 -6.953 1.00 32.21 O ATOM 1248 OE2 GLU A 78 -8.742 -12.905 -7.173 1.00 60.11 O ATOM 0 H GLU A 78 -5.130 -10.942 -11.201 1.00 12.42 H new ATOM 0 HA GLU A 78 -5.265 -11.594 -8.476 1.00 12.44 H new ATOM 0 HB2 GLU A 78 -7.253 -11.395 -9.833 1.00 3.12 H new ATOM 0 HB3 GLU A 78 -6.696 -12.625 -10.949 1.00 3.12 H new ATOM 0 HG2 GLU A 78 -8.398 -13.577 -9.526 1.00 22.24 H new ATOM 0 HG3 GLU A 78 -6.861 -14.329 -9.147 1.00 22.24 H new ATOM 1255 N ARG A 79 -3.803 -13.801 -10.360 1.00 42.24 N ATOM 1256 CA ARG A 79 -3.056 -15.053 -10.358 1.00 3.32 C ATOM 1257 C ARG A 79 -1.820 -14.947 -9.468 1.00 53.24 C ATOM 1258 O ARG A 79 -1.424 -15.917 -8.824 1.00 24.12 O ATOM 1259 CB ARG A 79 -2.641 -15.427 -11.782 1.00 52.01 C ATOM 1260 CG ARG A 79 -2.576 -16.926 -12.023 1.00 72.24 C ATOM 1261 CD ARG A 79 -1.221 -17.495 -11.633 1.00 0.00 C ATOM 1262 NE ARG A 79 -1.314 -18.889 -11.208 1.00 73.22 N ATOM 1263 CZ ARG A 79 -0.390 -19.497 -10.473 1.00 11.35 C ATOM 1264 NH1 ARG A 79 0.691 -18.836 -10.082 1.00 11.23 N ATOM 1265 NH2 ARG A 79 -0.546 -20.768 -10.126 1.00 14.02 N ATOM 0 H ARG A 79 -3.722 -13.264 -11.223 1.00 42.24 H new ATOM 0 HA ARG A 79 -3.705 -15.833 -9.959 1.00 3.32 H new ATOM 0 HB2 ARG A 79 -3.347 -14.985 -12.485 1.00 52.01 H new ATOM 0 HB3 ARG A 79 -1.665 -14.991 -11.993 1.00 52.01 H new ATOM 0 HG2 ARG A 79 -3.359 -17.422 -11.449 1.00 72.24 H new ATOM 0 HG3 ARG A 79 -2.771 -17.135 -13.075 1.00 72.24 H new ATOM 0 HD2 ARG A 79 -0.539 -17.419 -12.480 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.796 -16.898 -10.826 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.134 -19.425 -11.491 1.00 73.22 H new ATOM 0 HH11 ARG A 79 0.814 -17.858 -10.346 1.00 11.23 H new ATOM 0 HH12 ARG A 79 1.399 -19.305 -9.518 1.00 11.23 H new ATOM 0 HH21 ARG A 79 -1.377 -21.280 -10.424 1.00 14.02 H new ATOM 0 HH22 ARG A 79 0.165 -21.233 -9.561 1.00 14.02 H new ATOM 1279 N GLN A 80 -1.218 -13.762 -9.440 1.00 63.51 N ATOM 1280 CA GLN A 80 -0.027 -13.531 -8.631 1.00 11.01 C ATOM 1281 C GLN A 80 -0.347 -13.654 -7.145 1.00 24.03 C ATOM 1282 O GLN A 80 -1.435 -13.289 -6.701 1.00 53.35 O ATOM 1283 CB GLN A 80 0.555 -12.148 -8.927 1.00 3.24 C ATOM 1284 CG GLN A 80 1.407 -12.103 -10.185 1.00 4.33 C ATOM 1285 CD GLN A 80 2.827 -12.579 -9.946 1.00 35.43 C ATOM 1286 OE1 GLN A 80 3.441 -12.251 -8.931 1.00 24.04 O ATOM 1287 NE2 GLN A 80 3.355 -13.359 -10.882 1.00 1.21 N ATOM 0 H GLN A 80 -1.535 -12.948 -9.967 1.00 63.51 H new ATOM 0 HA GLN A 80 0.711 -14.291 -8.889 1.00 11.01 H new ATOM 0 HB2 GLN A 80 -0.262 -11.433 -9.026 1.00 3.24 H new ATOM 0 HB3 GLN A 80 1.159 -11.828 -8.078 1.00 3.24 H new ATOM 0 HG2 GLN A 80 0.945 -12.722 -10.954 1.00 4.33 H new ATOM 0 HG3 GLN A 80 1.429 -11.083 -10.568 1.00 4.33 H new ATOM 0 HE21 GLN A 80 2.809 -13.606 -11.708 1.00 1.21 H new ATOM 0 HE22 GLN A 80 4.306 -13.711 -10.775 1.00 1.21 H new