USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 857 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.379 K(o=-0.38,f=-1.7!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -20:sc= -1.27 USER MOD Single : A 31 TYR OH : rot -140:sc= -0.479 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.546 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -173:sc= -1.56 (180deg=-1.66) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 52 TYR OH : rot 165:sc= -0.663 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0274 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 72 ASN :FLIP amide:sc= -0.0779 F(o=-4.5,f=-0.078) USER MOD Single : A 74 GLN : amide:sc= -0.573 K(o=-0.57,f=-3.7!) USER MOD Single : A 78 SER OG : rot 136:sc= -4.94! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= -0.0176 USER MOD Single : A 100 ASN : amide:sc= -0.388 X(o=-0.39,f=-0.59) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.427 USER MOD Single : A 106 LYS NZ :NH3+ -125:sc= -0.277 (180deg=-1.69!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= -0.0667 X(o=-0.067,f=-0.18) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.885 -8.868 -1.933 1.00 75.05 N ATOM 2 CA GLY A 1 19.170 -8.845 -3.196 1.00 62.45 C ATOM 3 C GLY A 1 20.083 -9.084 -4.383 1.00 73.21 C ATOM 4 O GLY A 1 20.821 -8.190 -4.797 1.00 74.21 O ATOM 0 H1 GLY A 1 19.218 -8.700 -1.153 1.00 75.05 H new ATOM 0 H2 GLY A 1 20.338 -9.796 -1.807 1.00 75.05 H new ATOM 0 H3 GLY A 1 20.613 -8.125 -1.932 1.00 75.05 H new ATOM 0 HA2 GLY A 1 18.390 -9.606 -3.182 1.00 62.45 H new ATOM 0 HA3 GLY A 1 18.673 -7.882 -3.312 1.00 62.45 H new ATOM 8 N SER A 2 20.034 -10.294 -4.931 1.00 23.42 N ATOM 9 CA SER A 2 20.867 -10.650 -6.074 1.00 22.14 C ATOM 10 C SER A 2 20.702 -9.637 -7.202 1.00 61.14 C ATOM 11 O SER A 2 19.584 -9.316 -7.604 1.00 61.12 O ATOM 12 CB SER A 2 20.512 -12.051 -6.574 1.00 75.24 C ATOM 13 OG SER A 2 21.097 -12.304 -7.840 1.00 32.31 O ATOM 0 H SER A 2 19.426 -11.044 -4.602 1.00 23.42 H new ATOM 0 HA SER A 2 21.908 -10.641 -5.751 1.00 22.14 H new ATOM 0 HB2 SER A 2 20.856 -12.795 -5.856 1.00 75.24 H new ATOM 0 HB3 SER A 2 19.429 -12.152 -6.644 1.00 75.24 H new ATOM 0 HG SER A 2 20.856 -13.206 -8.137 1.00 32.31 H new ATOM 19 N MET A 3 21.824 -9.137 -7.709 1.00 64.33 N ATOM 20 CA MET A 3 21.805 -8.161 -8.793 1.00 30.42 C ATOM 21 C MET A 3 21.597 -8.848 -10.139 1.00 52.30 C ATOM 22 O MET A 3 22.341 -9.758 -10.504 1.00 40.31 O ATOM 23 CB MET A 3 23.109 -7.362 -8.811 1.00 42.21 C ATOM 24 CG MET A 3 23.482 -6.776 -7.459 1.00 21.32 C ATOM 25 SD MET A 3 22.335 -5.495 -6.916 1.00 60.33 S ATOM 26 CE MET A 3 23.431 -4.083 -6.808 1.00 24.14 C ATOM 0 H MET A 3 22.758 -9.391 -7.387 1.00 64.33 H new ATOM 0 HA MET A 3 20.972 -7.479 -8.621 1.00 30.42 H new ATOM 0 HB2 MET A 3 23.917 -8.009 -9.153 1.00 42.21 H new ATOM 0 HB3 MET A 3 23.020 -6.553 -9.536 1.00 42.21 H new ATOM 0 HG2 MET A 3 23.508 -7.574 -6.716 1.00 21.32 H new ATOM 0 HG3 MET A 3 24.487 -6.359 -7.513 1.00 21.32 H new ATOM 0 HE1 MET A 3 22.867 -3.209 -6.483 1.00 24.14 H new ATOM 0 HE2 MET A 3 24.223 -4.292 -6.089 1.00 24.14 H new ATOM 0 HE3 MET A 3 23.871 -3.888 -7.786 1.00 24.14 H new ATOM 36 N SER A 4 20.580 -8.406 -10.873 1.00 2.14 N ATOM 37 CA SER A 4 20.272 -8.981 -12.177 1.00 11.13 C ATOM 38 C SER A 4 20.690 -8.036 -13.299 1.00 71.14 C ATOM 39 O SER A 4 21.032 -8.472 -14.398 1.00 25.14 O ATOM 40 CB SER A 4 18.777 -9.287 -12.282 1.00 54.33 C ATOM 41 OG SER A 4 18.425 -10.397 -11.475 1.00 12.43 O ATOM 0 H SER A 4 19.956 -7.652 -10.587 1.00 2.14 H new ATOM 0 HA SER A 4 20.833 -9.910 -12.280 1.00 11.13 H new ATOM 0 HB2 SER A 4 18.202 -8.414 -11.975 1.00 54.33 H new ATOM 0 HB3 SER A 4 18.517 -9.492 -13.321 1.00 54.33 H new ATOM 0 HG SER A 4 17.464 -10.571 -11.559 1.00 12.43 H new ATOM 47 N GLY A 5 20.659 -6.738 -13.014 1.00 54.34 N ATOM 48 CA GLY A 5 21.036 -5.751 -14.009 1.00 51.40 C ATOM 49 C GLY A 5 19.993 -4.663 -14.171 1.00 11.41 C ATOM 50 O GLY A 5 18.900 -4.913 -14.678 1.00 43.23 O ATOM 0 H GLY A 5 20.380 -6.352 -12.112 1.00 54.34 H new ATOM 0 HA2 GLY A 5 21.987 -5.299 -13.726 1.00 51.40 H new ATOM 0 HA3 GLY A 5 21.191 -6.247 -14.967 1.00 51.40 H new ATOM 54 N GLU A 6 20.330 -3.452 -13.737 1.00 23.21 N ATOM 55 CA GLU A 6 19.413 -2.323 -13.834 1.00 74.25 C ATOM 56 C GLU A 6 20.022 -1.071 -13.211 1.00 22.02 C ATOM 57 O GLU A 6 20.192 -0.041 -13.864 1.00 34.12 O ATOM 58 CB GLU A 6 18.086 -2.655 -13.147 1.00 43.31 C ATOM 59 CG GLU A 6 17.381 -1.440 -12.568 1.00 13.01 C ATOM 60 CD GLU A 6 17.166 -0.345 -13.595 1.00 24.02 C ATOM 61 OE1 GLU A 6 16.751 -0.668 -14.727 1.00 54.14 O ATOM 62 OE2 GLU A 6 17.414 0.834 -13.267 1.00 24.15 O ATOM 0 H GLU A 6 21.231 -3.228 -13.315 1.00 23.21 H new ATOM 0 HA GLU A 6 19.228 -2.128 -14.890 1.00 74.25 H new ATOM 0 HB2 GLU A 6 17.425 -3.140 -13.866 1.00 43.31 H new ATOM 0 HB3 GLU A 6 18.270 -3.373 -12.348 1.00 43.31 H new ATOM 0 HG2 GLU A 6 16.417 -1.744 -12.160 1.00 13.01 H new ATOM 0 HG3 GLU A 6 17.968 -1.045 -11.739 1.00 13.01 H new ATOM 69 N PRO A 7 20.360 -1.160 -11.916 1.00 13.13 N ATOM 70 CA PRO A 7 20.956 -0.044 -11.175 1.00 35.24 C ATOM 71 C PRO A 7 22.381 0.257 -11.626 1.00 75.44 C ATOM 72 O PRO A 7 23.147 -0.653 -11.942 1.00 0.52 O ATOM 73 CB PRO A 7 20.947 -0.536 -9.725 1.00 72.32 C ATOM 74 CG PRO A 7 20.959 -2.022 -9.830 1.00 23.35 C ATOM 75 CD PRO A 7 20.186 -2.356 -11.075 1.00 62.52 C ATOM 0 HA PRO A 7 20.408 0.885 -11.328 1.00 35.24 H new ATOM 0 HB2 PRO A 7 21.816 -0.171 -9.177 1.00 72.32 H new ATOM 0 HB3 PRO A 7 20.063 -0.184 -9.193 1.00 72.32 H new ATOM 0 HG2 PRO A 7 21.979 -2.401 -9.891 1.00 23.35 H new ATOM 0 HG3 PRO A 7 20.502 -2.479 -8.952 1.00 23.35 H new ATOM 0 HD2 PRO A 7 20.576 -3.250 -11.562 1.00 62.52 H new ATOM 0 HD3 PRO A 7 19.135 -2.544 -10.857 1.00 62.52 H new ATOM 83 N GLY A 8 22.729 1.539 -11.655 1.00 4.42 N ATOM 84 CA GLY A 8 24.062 1.937 -12.069 1.00 62.32 C ATOM 85 C GLY A 8 24.232 3.442 -12.110 1.00 1.44 C ATOM 86 O GLY A 8 23.252 4.185 -12.065 1.00 34.32 O ATOM 0 H GLY A 8 22.112 2.310 -11.399 1.00 4.42 H new ATOM 0 HA2 GLY A 8 24.794 1.510 -11.383 1.00 62.32 H new ATOM 0 HA3 GLY A 8 24.271 1.524 -13.056 1.00 62.32 H new ATOM 90 N GLN A 9 25.479 3.894 -12.193 1.00 24.40 N ATOM 91 CA GLN A 9 25.774 5.321 -12.237 1.00 14.12 C ATOM 92 C GLN A 9 26.833 5.627 -13.291 1.00 34.41 C ATOM 93 O GLN A 9 28.016 5.347 -13.097 1.00 42.12 O ATOM 94 CB GLN A 9 26.246 5.808 -10.866 1.00 1.20 C ATOM 95 CG GLN A 9 25.109 6.147 -9.915 1.00 61.25 C ATOM 96 CD GLN A 9 24.523 4.919 -9.246 1.00 54.44 C ATOM 97 OE1 GLN A 9 25.211 3.918 -9.046 1.00 44.43 O ATOM 98 NE2 GLN A 9 23.244 4.990 -8.896 1.00 32.11 N ATOM 0 H GLN A 9 26.302 3.292 -12.231 1.00 24.40 H new ATOM 0 HA GLN A 9 24.858 5.847 -12.506 1.00 14.12 H new ATOM 0 HB2 GLN A 9 26.871 5.039 -10.412 1.00 1.20 H new ATOM 0 HB3 GLN A 9 26.872 6.690 -10.999 1.00 1.20 H new ATOM 0 HG2 GLN A 9 25.472 6.834 -9.151 1.00 61.25 H new ATOM 0 HG3 GLN A 9 24.324 6.667 -10.464 1.00 61.25 H new ATOM 0 HE21 GLN A 9 22.711 5.840 -9.081 1.00 32.11 H new ATOM 0 HE22 GLN A 9 22.795 4.195 -8.442 1.00 32.11 H new ATOM 107 N THR A 10 26.400 6.202 -14.408 1.00 55.05 N ATOM 108 CA THR A 10 27.310 6.544 -15.494 1.00 54.12 C ATOM 109 C THR A 10 27.354 8.051 -15.720 1.00 41.01 C ATOM 110 O THR A 10 26.316 8.703 -15.826 1.00 13.43 O ATOM 111 CB THR A 10 26.902 5.851 -16.808 1.00 40.32 C ATOM 112 OG1 THR A 10 25.480 5.693 -16.858 1.00 32.22 O ATOM 113 CG2 THR A 10 27.574 4.492 -16.934 1.00 54.22 C ATOM 0 H THR A 10 25.424 6.441 -14.585 1.00 55.05 H new ATOM 0 HA THR A 10 28.299 6.194 -15.199 1.00 54.12 H new ATOM 0 HB THR A 10 27.226 6.477 -17.639 1.00 40.32 H new ATOM 0 HG1 THR A 10 25.229 5.253 -17.697 1.00 32.22 H new ATOM 0 HG21 THR A 10 27.271 4.022 -17.869 1.00 54.22 H new ATOM 0 HG22 THR A 10 28.657 4.619 -16.926 1.00 54.22 H new ATOM 0 HG23 THR A 10 27.277 3.860 -16.097 1.00 54.22 H new ATOM 121 N SER A 11 28.563 8.598 -15.794 1.00 42.21 N ATOM 122 CA SER A 11 28.743 10.030 -16.005 1.00 32.14 C ATOM 123 C SER A 11 28.703 10.369 -17.491 1.00 44.55 C ATOM 124 O SER A 11 29.740 10.433 -18.153 1.00 55.42 O ATOM 125 CB SER A 11 30.069 10.494 -15.399 1.00 30.40 C ATOM 126 OG SER A 11 29.979 11.831 -14.938 1.00 64.33 O ATOM 0 H SER A 11 29.433 8.071 -15.711 1.00 42.21 H new ATOM 0 HA SER A 11 27.924 10.551 -15.509 1.00 32.14 H new ATOM 0 HB2 SER A 11 30.344 9.839 -14.572 1.00 30.40 H new ATOM 0 HB3 SER A 11 30.860 10.416 -16.144 1.00 30.40 H new ATOM 0 HG SER A 11 30.838 12.103 -14.554 1.00 64.33 H new ATOM 132 N VAL A 12 27.499 10.586 -18.011 1.00 1.52 N ATOM 133 CA VAL A 12 27.323 10.921 -19.419 1.00 72.40 C ATOM 134 C VAL A 12 26.080 11.778 -19.629 1.00 12.12 C ATOM 135 O VAL A 12 25.259 11.931 -18.725 1.00 73.51 O ATOM 136 CB VAL A 12 27.211 9.653 -20.287 1.00 1.10 C ATOM 137 CG1 VAL A 12 28.522 8.882 -20.277 1.00 61.21 C ATOM 138 CG2 VAL A 12 26.064 8.777 -19.805 1.00 42.54 C ATOM 0 H VAL A 12 26.631 10.536 -17.478 1.00 1.52 H new ATOM 0 HA VAL A 12 28.205 11.485 -19.723 1.00 72.40 H new ATOM 0 HB VAL A 12 27.002 9.954 -21.314 1.00 1.10 H new ATOM 0 HG11 VAL A 12 28.424 7.990 -20.895 1.00 61.21 H new ATOM 0 HG12 VAL A 12 29.318 9.512 -20.673 1.00 61.21 H new ATOM 0 HG13 VAL A 12 28.765 8.591 -19.255 1.00 61.21 H new ATOM 0 HG21 VAL A 12 25.999 7.886 -20.429 1.00 42.54 H new ATOM 0 HG22 VAL A 12 26.241 8.483 -18.770 1.00 42.54 H new ATOM 0 HG23 VAL A 12 25.129 9.334 -19.870 1.00 42.54 H new ATOM 148 N ALA A 13 25.948 12.336 -20.828 1.00 30.11 N ATOM 149 CA ALA A 13 24.804 13.176 -21.158 1.00 14.31 C ATOM 150 C ALA A 13 24.739 14.398 -20.247 1.00 73.41 C ATOM 151 O ALA A 13 23.863 14.517 -19.390 1.00 51.11 O ATOM 152 CB ALA A 13 23.514 12.374 -21.061 1.00 3.10 C ATOM 0 H ALA A 13 26.620 12.221 -21.587 1.00 30.11 H new ATOM 0 HA ALA A 13 24.925 13.525 -22.183 1.00 14.31 H new ATOM 0 HB1 ALA A 13 22.668 13.014 -21.310 1.00 3.10 H new ATOM 0 HB2 ALA A 13 23.553 11.537 -21.758 1.00 3.10 H new ATOM 0 HB3 ALA A 13 23.396 11.996 -20.046 1.00 3.10 H new ATOM 158 N PRO A 14 25.687 15.327 -20.434 1.00 43.32 N ATOM 159 CA PRO A 14 25.759 16.556 -19.638 1.00 41.33 C ATOM 160 C PRO A 14 24.617 17.517 -19.952 1.00 4.33 C ATOM 161 O PRO A 14 23.889 17.356 -20.931 1.00 63.13 O ATOM 162 CB PRO A 14 27.101 17.167 -20.050 1.00 12.51 C ATOM 163 CG PRO A 14 27.359 16.631 -21.416 1.00 35.15 C ATOM 164 CD PRO A 14 26.763 15.251 -21.437 1.00 74.53 C ATOM 0 HA PRO A 14 25.676 16.356 -18.570 1.00 41.33 H new ATOM 0 HB2 PRO A 14 27.055 18.256 -20.054 1.00 12.51 H new ATOM 0 HB3 PRO A 14 27.894 16.884 -19.358 1.00 12.51 H new ATOM 0 HG2 PRO A 14 26.903 17.265 -22.177 1.00 35.15 H new ATOM 0 HG3 PRO A 14 28.428 16.598 -21.627 1.00 35.15 H new ATOM 0 HD2 PRO A 14 26.375 14.996 -22.423 1.00 74.53 H new ATOM 0 HD3 PRO A 14 27.500 14.491 -21.178 1.00 74.53 H new ATOM 172 N PRO A 15 24.456 18.542 -19.102 1.00 14.41 N ATOM 173 CA PRO A 15 23.404 19.550 -19.269 1.00 3.34 C ATOM 174 C PRO A 15 23.656 20.457 -20.469 1.00 14.15 C ATOM 175 O PRO A 15 24.740 20.469 -21.052 1.00 32.11 O ATOM 176 CB PRO A 15 23.474 20.354 -17.967 1.00 72.34 C ATOM 177 CG PRO A 15 24.873 20.179 -17.488 1.00 65.53 C ATOM 178 CD PRO A 15 25.287 18.797 -17.913 1.00 73.42 C ATOM 0 HA PRO A 15 22.430 19.097 -19.455 1.00 3.34 H new ATOM 0 HB2 PRO A 15 23.243 21.405 -18.138 1.00 72.34 H new ATOM 0 HB3 PRO A 15 22.756 19.985 -17.235 1.00 72.34 H new ATOM 0 HG2 PRO A 15 25.531 20.933 -17.920 1.00 65.53 H new ATOM 0 HG3 PRO A 15 24.931 20.288 -16.405 1.00 65.53 H new ATOM 0 HD2 PRO A 15 26.350 18.751 -18.149 1.00 73.42 H new ATOM 0 HD3 PRO A 15 25.102 18.063 -17.129 1.00 73.42 H new ATOM 186 N PRO A 16 22.632 21.236 -20.847 1.00 54.13 N ATOM 187 CA PRO A 16 22.718 22.162 -21.981 1.00 21.41 C ATOM 188 C PRO A 16 23.639 23.343 -21.696 1.00 22.12 C ATOM 189 O PRO A 16 24.342 23.363 -20.686 1.00 44.13 O ATOM 190 CB PRO A 16 21.275 22.640 -22.159 1.00 70.34 C ATOM 191 CG PRO A 16 20.653 22.477 -20.815 1.00 60.15 C ATOM 192 CD PRO A 16 21.311 21.274 -20.198 1.00 34.02 C ATOM 0 HA PRO A 16 23.135 21.684 -22.867 1.00 21.41 H new ATOM 0 HB2 PRO A 16 21.240 23.679 -22.488 1.00 70.34 H new ATOM 0 HB3 PRO A 16 20.752 22.049 -22.911 1.00 70.34 H new ATOM 0 HG2 PRO A 16 20.809 23.365 -20.202 1.00 60.15 H new ATOM 0 HG3 PRO A 16 19.576 22.333 -20.898 1.00 60.15 H new ATOM 0 HD2 PRO A 16 21.398 21.374 -19.116 1.00 34.02 H new ATOM 0 HD3 PRO A 16 20.743 20.363 -20.389 1.00 34.02 H new ATOM 200 N GLU A 17 23.629 24.325 -22.592 1.00 1.03 N ATOM 201 CA GLU A 17 24.465 25.510 -22.435 1.00 31.41 C ATOM 202 C GLU A 17 24.268 26.136 -21.057 1.00 62.23 C ATOM 203 O GLU A 17 23.300 25.834 -20.360 1.00 42.01 O ATOM 204 CB GLU A 17 24.144 26.535 -23.524 1.00 12.30 C ATOM 205 CG GLU A 17 22.655 26.748 -23.740 1.00 72.43 C ATOM 206 CD GLU A 17 22.342 28.095 -24.362 1.00 72.43 C ATOM 207 OE1 GLU A 17 23.293 28.800 -24.759 1.00 64.41 O ATOM 208 OE2 GLU A 17 21.146 28.444 -24.452 1.00 64.11 O ATOM 0 H GLU A 17 23.052 24.324 -23.433 1.00 1.03 H new ATOM 0 HA GLU A 17 25.507 25.204 -22.530 1.00 31.41 H new ATOM 0 HB2 GLU A 17 24.604 27.488 -23.262 1.00 12.30 H new ATOM 0 HB3 GLU A 17 24.596 26.210 -24.461 1.00 12.30 H new ATOM 0 HG2 GLU A 17 22.268 25.957 -24.382 1.00 72.43 H new ATOM 0 HG3 GLU A 17 22.138 26.664 -22.784 1.00 72.43 H new ATOM 215 N GLU A 18 25.194 27.009 -20.673 1.00 22.33 N ATOM 216 CA GLU A 18 25.123 27.676 -19.378 1.00 41.12 C ATOM 217 C GLU A 18 24.120 28.826 -19.413 1.00 20.50 C ATOM 218 O GLU A 18 24.424 29.915 -19.898 1.00 2.41 O ATOM 219 CB GLU A 18 26.502 28.200 -18.973 1.00 44.54 C ATOM 220 CG GLU A 18 26.617 28.536 -17.496 1.00 34.22 C ATOM 221 CD GLU A 18 28.053 28.551 -17.010 1.00 70.52 C ATOM 222 OE1 GLU A 18 28.698 27.481 -17.031 1.00 12.53 O ATOM 223 OE2 GLU A 18 28.532 29.632 -16.610 1.00 1.22 O ATOM 0 H GLU A 18 26.001 27.271 -21.239 1.00 22.33 H new ATOM 0 HA GLU A 18 24.788 26.947 -18.640 1.00 41.12 H new ATOM 0 HB2 GLU A 18 27.254 27.453 -19.226 1.00 44.54 H new ATOM 0 HB3 GLU A 18 26.729 29.091 -19.558 1.00 44.54 H new ATOM 0 HG2 GLU A 18 26.166 29.511 -17.313 1.00 34.22 H new ATOM 0 HG3 GLU A 18 26.049 27.808 -16.917 1.00 34.22 H new ATOM 230 N VAL A 19 22.922 28.573 -18.895 1.00 52.44 N ATOM 231 CA VAL A 19 21.873 29.586 -18.866 1.00 42.02 C ATOM 232 C VAL A 19 21.024 29.462 -17.606 1.00 24.10 C ATOM 233 O VAL A 19 20.645 28.361 -17.208 1.00 12.20 O ATOM 234 CB VAL A 19 20.958 29.482 -20.101 1.00 0.13 C ATOM 235 CG1 VAL A 19 20.013 30.672 -20.167 1.00 33.14 C ATOM 236 CG2 VAL A 19 21.788 29.379 -21.371 1.00 71.05 C ATOM 0 H VAL A 19 22.654 27.676 -18.490 1.00 52.44 H new ATOM 0 HA VAL A 19 22.370 30.556 -18.872 1.00 42.02 H new ATOM 0 HB VAL A 19 20.358 28.577 -20.012 1.00 0.13 H new ATOM 0 HG11 VAL A 19 19.375 30.581 -21.046 1.00 33.14 H new ATOM 0 HG12 VAL A 19 19.394 30.696 -19.270 1.00 33.14 H new ATOM 0 HG13 VAL A 19 20.592 31.593 -20.233 1.00 33.14 H new ATOM 0 HG21 VAL A 19 21.126 29.306 -22.234 1.00 71.05 H new ATOM 0 HG22 VAL A 19 22.415 30.265 -21.469 1.00 71.05 H new ATOM 0 HG23 VAL A 19 22.419 28.492 -21.322 1.00 71.05 H new ATOM 246 N GLU A 20 20.730 30.599 -16.983 1.00 20.21 N ATOM 247 CA GLU A 20 19.926 30.616 -15.767 1.00 14.52 C ATOM 248 C GLU A 20 18.600 31.335 -16.002 1.00 2.44 C ATOM 249 O GLU A 20 18.373 32.445 -15.520 1.00 2.43 O ATOM 250 CB GLU A 20 20.693 31.296 -14.631 1.00 40.40 C ATOM 251 CG GLU A 20 21.281 32.644 -15.015 1.00 64.32 C ATOM 252 CD GLU A 20 21.674 33.474 -13.809 1.00 3.03 C ATOM 253 OE1 GLU A 20 21.906 32.883 -12.733 1.00 0.41 O ATOM 254 OE2 GLU A 20 21.750 34.713 -13.940 1.00 12.41 O ATOM 0 H GLU A 20 21.036 31.519 -17.300 1.00 20.21 H new ATOM 0 HA GLU A 20 19.716 29.584 -15.487 1.00 14.52 H new ATOM 0 HB2 GLU A 20 20.024 31.430 -13.781 1.00 40.40 H new ATOM 0 HB3 GLU A 20 21.498 30.638 -14.303 1.00 40.40 H new ATOM 0 HG2 GLU A 20 22.157 32.488 -15.645 1.00 64.32 H new ATOM 0 HG3 GLU A 20 20.554 33.197 -15.611 1.00 64.32 H new ATOM 261 N PRO A 21 17.703 30.689 -16.761 1.00 22.33 N ATOM 262 CA PRO A 21 16.385 31.247 -17.077 1.00 62.24 C ATOM 263 C PRO A 21 15.468 31.293 -15.860 1.00 53.13 C ATOM 264 O PRO A 21 14.716 32.249 -15.674 1.00 31.25 O ATOM 265 CB PRO A 21 15.833 30.279 -18.127 1.00 30.12 C ATOM 266 CG PRO A 21 16.535 28.992 -17.862 1.00 44.11 C ATOM 267 CD PRO A 21 17.906 29.363 -17.368 1.00 64.30 C ATOM 0 HA PRO A 21 16.451 32.279 -17.422 1.00 62.24 H new ATOM 0 HB2 PRO A 21 14.753 30.167 -18.033 1.00 30.12 H new ATOM 0 HB3 PRO A 21 16.030 30.637 -19.138 1.00 30.12 H new ATOM 0 HG2 PRO A 21 15.999 28.401 -17.119 1.00 44.11 H new ATOM 0 HG3 PRO A 21 16.596 28.387 -18.767 1.00 44.11 H new ATOM 0 HD2 PRO A 21 18.280 28.642 -16.642 1.00 64.30 H new ATOM 0 HD3 PRO A 21 18.630 29.400 -18.182 1.00 64.30 H new ATOM 275 N GLY A 22 15.535 30.254 -15.034 1.00 21.41 N ATOM 276 CA GLY A 22 14.705 30.196 -13.845 1.00 2.22 C ATOM 277 C GLY A 22 14.915 31.389 -12.933 1.00 64.20 C ATOM 278 O GLY A 22 14.062 31.702 -12.103 1.00 2.10 O ATOM 0 H GLY A 22 16.150 29.451 -15.167 1.00 21.41 H new ATOM 0 HA2 GLY A 22 13.657 30.148 -14.139 1.00 2.22 H new ATOM 0 HA3 GLY A 22 14.925 29.280 -13.297 1.00 2.22 H new ATOM 282 N SER A 23 16.055 32.055 -13.086 1.00 24.11 N ATOM 283 CA SER A 23 16.378 33.217 -12.266 1.00 32.34 C ATOM 284 C SER A 23 15.218 34.207 -12.247 1.00 52.41 C ATOM 285 O SER A 23 14.795 34.705 -13.290 1.00 31.03 O ATOM 286 CB SER A 23 17.641 33.903 -12.790 1.00 31.35 C ATOM 287 OG SER A 23 18.757 33.032 -12.728 1.00 22.14 O ATOM 0 H SER A 23 16.771 31.810 -13.770 1.00 24.11 H new ATOM 0 HA SER A 23 16.557 32.874 -11.247 1.00 32.34 H new ATOM 0 HB2 SER A 23 17.483 34.225 -13.819 1.00 31.35 H new ATOM 0 HB3 SER A 23 17.842 34.799 -12.203 1.00 31.35 H new ATOM 0 HG SER A 23 18.575 32.313 -12.088 1.00 22.14 H new ATOM 293 N GLY A 24 14.707 34.489 -11.052 1.00 41.11 N ATOM 294 CA GLY A 24 13.601 35.419 -10.919 1.00 33.45 C ATOM 295 C GLY A 24 12.534 34.917 -9.966 1.00 32.03 C ATOM 296 O GLY A 24 11.347 35.186 -10.154 1.00 22.15 O ATOM 0 H GLY A 24 15.039 34.090 -10.174 1.00 41.11 H new ATOM 0 HA2 GLY A 24 13.978 36.379 -10.565 1.00 33.45 H new ATOM 0 HA3 GLY A 24 13.156 35.593 -11.899 1.00 33.45 H new ATOM 300 N VAL A 25 12.956 34.184 -8.940 1.00 73.02 N ATOM 301 CA VAL A 25 12.028 33.643 -7.954 1.00 73.35 C ATOM 302 C VAL A 25 12.670 33.577 -6.573 1.00 54.42 C ATOM 303 O VAL A 25 13.894 33.563 -6.447 1.00 21.14 O ATOM 304 CB VAL A 25 11.545 32.235 -8.351 1.00 65.34 C ATOM 305 CG1 VAL A 25 10.351 31.821 -7.505 1.00 25.31 C ATOM 306 CG2 VAL A 25 11.201 32.188 -9.832 1.00 64.25 C ATOM 0 H VAL A 25 13.935 33.951 -8.770 1.00 73.02 H new ATOM 0 HA VAL A 25 11.172 34.317 -7.922 1.00 73.35 H new ATOM 0 HB VAL A 25 12.353 31.527 -8.166 1.00 65.34 H new ATOM 0 HG11 VAL A 25 10.024 30.824 -7.800 1.00 25.31 H new ATOM 0 HG12 VAL A 25 10.636 31.813 -6.453 1.00 25.31 H new ATOM 0 HG13 VAL A 25 9.536 32.529 -7.655 1.00 25.31 H new ATOM 0 HG21 VAL A 25 10.862 31.186 -10.095 1.00 64.25 H new ATOM 0 HG22 VAL A 25 10.410 32.907 -10.045 1.00 64.25 H new ATOM 0 HG23 VAL A 25 12.085 32.437 -10.419 1.00 64.25 H new ATOM 316 N ARG A 26 11.835 33.538 -5.540 1.00 74.30 N ATOM 317 CA ARG A 26 12.321 33.475 -4.167 1.00 35.41 C ATOM 318 C ARG A 26 11.747 32.260 -3.442 1.00 53.54 C ATOM 319 O ARG A 26 10.668 32.330 -2.852 1.00 3.31 O ATOM 320 CB ARG A 26 11.951 34.753 -3.413 1.00 52.53 C ATOM 321 CG ARG A 26 12.213 34.677 -1.918 1.00 60.31 C ATOM 322 CD ARG A 26 12.961 35.903 -1.420 1.00 1.40 C ATOM 323 NE ARG A 26 12.770 36.117 0.012 1.00 21.11 N ATOM 324 CZ ARG A 26 11.643 36.577 0.543 1.00 54.14 C ATOM 325 NH1 ARG A 26 10.611 36.870 -0.237 1.00 13.24 N ATOM 326 NH2 ARG A 26 11.546 36.745 1.855 1.00 35.43 N ATOM 0 H ARG A 26 10.819 33.549 -5.628 1.00 74.30 H new ATOM 0 HA ARG A 26 13.406 33.380 -4.197 1.00 35.41 H new ATOM 0 HB2 ARG A 26 12.516 35.587 -3.830 1.00 52.53 H new ATOM 0 HB3 ARG A 26 10.895 34.969 -3.578 1.00 52.53 H new ATOM 0 HG2 ARG A 26 11.266 34.586 -1.386 1.00 60.31 H new ATOM 0 HG3 ARG A 26 12.792 33.781 -1.694 1.00 60.31 H new ATOM 0 HD2 ARG A 26 14.024 35.789 -1.631 1.00 1.40 H new ATOM 0 HD3 ARG A 26 12.620 36.782 -1.966 1.00 1.40 H new ATOM 0 HE ARG A 26 13.545 35.901 0.639 1.00 21.11 H new ATOM 0 HH11 ARG A 26 10.682 36.742 -1.246 1.00 13.24 H new ATOM 0 HH12 ARG A 26 9.746 37.223 0.173 1.00 13.24 H new ATOM 0 HH21 ARG A 26 12.338 36.521 2.458 1.00 35.43 H new ATOM 0 HH22 ARG A 26 10.680 37.098 2.261 1.00 35.43 H new ATOM 340 N ILE A 27 12.474 31.150 -3.493 1.00 20.34 N ATOM 341 CA ILE A 27 12.037 29.921 -2.841 1.00 5.22 C ATOM 342 C ILE A 27 12.334 29.957 -1.345 1.00 63.25 C ATOM 343 O ILE A 27 13.344 30.514 -0.915 1.00 64.31 O ATOM 344 CB ILE A 27 12.716 28.684 -3.458 1.00 44.42 C ATOM 345 CG1 ILE A 27 12.753 28.804 -4.983 1.00 64.12 C ATOM 346 CG2 ILE A 27 11.989 27.416 -3.038 1.00 71.13 C ATOM 347 CD1 ILE A 27 13.428 27.634 -5.665 1.00 35.22 C ATOM 0 H ILE A 27 13.368 31.076 -3.979 1.00 20.34 H new ATOM 0 HA ILE A 27 10.960 29.848 -2.994 1.00 5.22 H new ATOM 0 HB ILE A 27 13.741 28.629 -3.092 1.00 44.42 H new ATOM 0 HG12 ILE A 27 11.733 28.893 -5.357 1.00 64.12 H new ATOM 0 HG13 ILE A 27 13.274 29.722 -5.255 1.00 64.12 H new ATOM 0 HG21 ILE A 27 12.481 26.551 -3.482 1.00 71.13 H new ATOM 0 HG22 ILE A 27 12.010 27.327 -1.952 1.00 71.13 H new ATOM 0 HG23 ILE A 27 10.955 27.460 -3.379 1.00 71.13 H new ATOM 0 HD11 ILE A 27 13.418 27.787 -6.744 1.00 35.22 H new ATOM 0 HD12 ILE A 27 14.459 27.557 -5.319 1.00 35.22 H new ATOM 0 HD13 ILE A 27 12.894 26.715 -5.423 1.00 35.22 H new ATOM 359 N VAL A 28 11.448 29.357 -0.557 1.00 71.12 N ATOM 360 CA VAL A 28 11.616 29.317 0.891 1.00 72.05 C ATOM 361 C VAL A 28 11.011 28.048 1.479 1.00 32.51 C ATOM 362 O VAL A 28 9.823 28.003 1.798 1.00 14.34 O ATOM 363 CB VAL A 28 10.969 30.541 1.565 1.00 53.44 C ATOM 364 CG1 VAL A 28 11.122 30.462 3.076 1.00 42.41 C ATOM 365 CG2 VAL A 28 11.575 31.828 1.025 1.00 12.35 C ATOM 0 H VAL A 28 10.606 28.892 -0.897 1.00 71.12 H new ATOM 0 HA VAL A 28 12.688 29.329 1.086 1.00 72.05 H new ATOM 0 HB VAL A 28 9.904 30.542 1.332 1.00 53.44 H new ATOM 0 HG11 VAL A 28 10.659 31.335 3.535 1.00 42.41 H new ATOM 0 HG12 VAL A 28 10.636 29.558 3.444 1.00 42.41 H new ATOM 0 HG13 VAL A 28 12.181 30.436 3.334 1.00 42.41 H new ATOM 0 HG21 VAL A 28 11.106 32.683 1.512 1.00 12.35 H new ATOM 0 HG22 VAL A 28 12.646 31.838 1.226 1.00 12.35 H new ATOM 0 HG23 VAL A 28 11.407 31.886 -0.050 1.00 12.35 H new ATOM 375 N VAL A 29 11.837 27.015 1.621 1.00 55.52 N ATOM 376 CA VAL A 29 11.384 25.744 2.173 1.00 53.31 C ATOM 377 C VAL A 29 11.017 25.884 3.646 1.00 5.32 C ATOM 378 O VAL A 29 11.888 25.875 4.515 1.00 3.24 O ATOM 379 CB VAL A 29 12.460 24.653 2.024 1.00 21.43 C ATOM 380 CG1 VAL A 29 11.957 23.328 2.576 1.00 33.51 C ATOM 381 CG2 VAL A 29 12.876 24.510 0.568 1.00 32.30 C ATOM 0 H VAL A 29 12.823 27.034 1.361 1.00 55.52 H new ATOM 0 HA VAL A 29 10.499 25.451 1.608 1.00 53.31 H new ATOM 0 HB VAL A 29 13.336 24.950 2.600 1.00 21.43 H new ATOM 0 HG11 VAL A 29 12.731 22.569 2.462 1.00 33.51 H new ATOM 0 HG12 VAL A 29 11.714 23.443 3.632 1.00 33.51 H new ATOM 0 HG13 VAL A 29 11.065 23.021 2.030 1.00 33.51 H new ATOM 0 HG21 VAL A 29 13.637 23.735 0.482 1.00 32.30 H new ATOM 0 HG22 VAL A 29 12.009 24.236 -0.033 1.00 32.30 H new ATOM 0 HG23 VAL A 29 13.281 25.457 0.211 1.00 32.30 H new ATOM 391 N GLU A 30 9.723 26.013 3.919 1.00 52.21 N ATOM 392 CA GLU A 30 9.242 26.156 5.288 1.00 33.51 C ATOM 393 C GLU A 30 9.106 24.793 5.961 1.00 31.24 C ATOM 394 O GLU A 30 8.209 24.014 5.636 1.00 4.10 O ATOM 395 CB GLU A 30 7.895 26.882 5.306 1.00 22.02 C ATOM 396 CG GLU A 30 7.581 27.548 6.635 1.00 33.02 C ATOM 397 CD GLU A 30 6.318 28.385 6.584 1.00 54.33 C ATOM 398 OE1 GLU A 30 5.599 28.314 5.565 1.00 11.11 O ATOM 399 OE2 GLU A 30 6.048 29.112 7.563 1.00 31.12 O ATOM 0 H GLU A 30 8.989 26.021 3.211 1.00 52.21 H new ATOM 0 HA GLU A 30 9.972 26.746 5.843 1.00 33.51 H new ATOM 0 HB2 GLU A 30 7.888 27.637 4.520 1.00 22.02 H new ATOM 0 HB3 GLU A 30 7.104 26.170 5.070 1.00 22.02 H new ATOM 0 HG2 GLU A 30 7.475 26.783 7.404 1.00 33.02 H new ATOM 0 HG3 GLU A 30 8.420 28.180 6.928 1.00 33.02 H new ATOM 406 N TYR A 31 10.002 24.512 6.901 1.00 61.03 N ATOM 407 CA TYR A 31 9.985 23.243 7.618 1.00 22.22 C ATOM 408 C TYR A 31 10.388 23.436 9.077 1.00 43.11 C ATOM 409 O TYR A 31 10.964 24.461 9.444 1.00 62.12 O ATOM 410 CB TYR A 31 10.925 22.240 6.946 1.00 2.53 C ATOM 411 CG TYR A 31 12.387 22.609 7.062 1.00 11.35 C ATOM 412 CD1 TYR A 31 13.149 22.179 8.142 1.00 52.04 C ATOM 413 CD2 TYR A 31 13.006 23.388 6.092 1.00 23.51 C ATOM 414 CE1 TYR A 31 14.484 22.514 8.252 1.00 3.41 C ATOM 415 CE2 TYR A 31 14.342 23.726 6.194 1.00 53.54 C ATOM 416 CZ TYR A 31 15.076 23.288 7.276 1.00 62.05 C ATOM 417 OH TYR A 31 16.407 23.623 7.381 1.00 33.02 O ATOM 0 H TYR A 31 10.749 25.146 7.184 1.00 61.03 H new ATOM 0 HA TYR A 31 8.968 22.853 7.589 1.00 22.22 H new ATOM 0 HB2 TYR A 31 10.771 21.256 7.390 1.00 2.53 H new ATOM 0 HB3 TYR A 31 10.662 22.159 5.891 1.00 2.53 H new ATOM 0 HD1 TYR A 31 12.689 21.573 8.908 1.00 52.04 H new ATOM 0 HD2 TYR A 31 12.434 23.735 5.244 1.00 23.51 H new ATOM 0 HE1 TYR A 31 15.062 22.172 9.098 1.00 3.41 H new ATOM 0 HE2 TYR A 31 14.809 24.330 5.430 1.00 53.54 H new ATOM 0 HH TYR A 31 16.534 24.552 7.097 1.00 33.02 H new ATOM 427 N CYS A 32 10.082 22.443 9.905 1.00 11.21 N ATOM 428 CA CYS A 32 10.411 22.501 11.324 1.00 2.11 C ATOM 429 C CYS A 32 11.901 22.260 11.547 1.00 64.10 C ATOM 430 O CYS A 32 12.375 21.127 11.466 1.00 44.44 O ATOM 431 CB CYS A 32 9.594 21.467 12.101 1.00 1.12 C ATOM 432 SG CYS A 32 10.155 21.212 13.816 1.00 41.24 S ATOM 0 H CYS A 32 9.606 21.588 9.617 1.00 11.21 H new ATOM 0 HA CYS A 32 10.164 23.498 11.688 1.00 2.11 H new ATOM 0 HB2 CYS A 32 8.550 21.780 12.114 1.00 1.12 H new ATOM 0 HB3 CYS A 32 9.635 20.515 11.571 1.00 1.12 H new ATOM 437 N GLU A 33 12.633 23.333 11.829 1.00 44.33 N ATOM 438 CA GLU A 33 14.069 23.238 12.063 1.00 65.23 C ATOM 439 C GLU A 33 14.376 22.221 13.159 1.00 53.13 C ATOM 440 O GLU A 33 15.034 21.206 12.932 1.00 21.33 O ATOM 441 CB GLU A 33 14.638 24.605 12.447 1.00 1.30 C ATOM 442 CG GLU A 33 15.511 25.226 11.370 1.00 44.14 C ATOM 443 CD GLU A 33 16.421 26.313 11.910 1.00 73.41 C ATOM 444 OE1 GLU A 33 15.929 27.436 12.144 1.00 43.44 O ATOM 445 OE2 GLU A 33 17.624 26.038 12.099 1.00 4.30 O ATOM 0 H GLU A 33 12.255 24.278 11.901 1.00 44.33 H new ATOM 0 HA GLU A 33 14.540 22.904 11.139 1.00 65.23 H new ATOM 0 HB2 GLU A 33 13.814 25.282 12.670 1.00 1.30 H new ATOM 0 HB3 GLU A 33 15.222 24.502 13.361 1.00 1.30 H new ATOM 0 HG2 GLU A 33 16.117 24.448 10.906 1.00 44.14 H new ATOM 0 HG3 GLU A 33 14.876 25.644 10.589 1.00 44.14 H new ATOM 452 N PRO A 34 13.887 22.500 14.377 1.00 64.44 N ATOM 453 CA PRO A 34 14.096 21.622 15.532 1.00 13.45 C ATOM 454 C PRO A 34 13.322 20.314 15.414 1.00 70.20 C ATOM 455 O PRO A 34 12.479 20.001 16.255 1.00 33.20 O ATOM 456 CB PRO A 34 13.568 22.451 16.706 1.00 0.23 C ATOM 457 CG PRO A 34 12.578 23.383 16.097 1.00 3.32 C ATOM 458 CD PRO A 34 13.094 23.692 14.719 1.00 71.12 C ATOM 0 HA PRO A 34 15.140 21.326 15.635 1.00 13.45 H new ATOM 0 HB2 PRO A 34 13.103 21.817 17.461 1.00 0.23 H new ATOM 0 HB3 PRO A 34 14.373 22.996 17.200 1.00 0.23 H new ATOM 0 HG2 PRO A 34 11.589 22.926 16.050 1.00 3.32 H new ATOM 0 HG3 PRO A 34 12.481 24.292 16.691 1.00 3.32 H new ATOM 0 HD2 PRO A 34 12.280 23.850 14.011 1.00 71.12 H new ATOM 0 HD3 PRO A 34 13.703 24.596 14.711 1.00 71.12 H new ATOM 466 N CYS A 35 13.614 19.552 14.365 1.00 1.01 N ATOM 467 CA CYS A 35 12.946 18.277 14.136 1.00 61.40 C ATOM 468 C CYS A 35 13.872 17.298 13.419 1.00 5.52 C ATOM 469 O CYS A 35 13.934 16.119 13.764 1.00 4.22 O ATOM 470 CB CYS A 35 11.672 18.485 13.315 1.00 61.52 C ATOM 471 SG CYS A 35 10.277 19.167 14.267 1.00 72.41 S ATOM 0 H CYS A 35 14.309 19.796 13.660 1.00 1.01 H new ATOM 0 HA CYS A 35 12.681 17.855 15.106 1.00 61.40 H new ATOM 0 HB2 CYS A 35 11.893 19.155 12.484 1.00 61.52 H new ATOM 0 HB3 CYS A 35 11.371 17.531 12.883 1.00 61.52 H new ATOM 476 N GLY A 36 14.592 17.798 12.419 1.00 51.13 N ATOM 477 CA GLY A 36 15.505 16.956 11.669 1.00 24.30 C ATOM 478 C GLY A 36 15.245 17.003 10.177 1.00 72.45 C ATOM 479 O GLY A 36 15.814 16.221 9.415 1.00 62.23 O ATOM 0 H GLY A 36 14.559 18.771 12.115 1.00 51.13 H new ATOM 0 HA2 GLY A 36 16.530 17.271 11.866 1.00 24.30 H new ATOM 0 HA3 GLY A 36 15.415 15.927 12.018 1.00 24.30 H new ATOM 483 N PHE A 37 14.380 17.921 9.757 1.00 64.51 N ATOM 484 CA PHE A 37 14.043 18.065 8.346 1.00 61.55 C ATOM 485 C PHE A 37 14.989 19.044 7.657 1.00 24.13 C ATOM 486 O PHE A 37 14.737 19.481 6.535 1.00 3.32 O ATOM 487 CB PHE A 37 12.597 18.541 8.191 1.00 63.22 C ATOM 488 CG PHE A 37 11.599 17.666 8.894 1.00 24.21 C ATOM 489 CD1 PHE A 37 11.365 16.371 8.459 1.00 2.30 C ATOM 490 CD2 PHE A 37 10.895 18.138 9.990 1.00 61.00 C ATOM 491 CE1 PHE A 37 10.448 15.563 9.104 1.00 11.31 C ATOM 492 CE2 PHE A 37 9.977 17.334 10.639 1.00 0.53 C ATOM 493 CZ PHE A 37 9.752 16.046 10.195 1.00 2.11 C ATOM 0 H PHE A 37 13.900 18.576 10.374 1.00 64.51 H new ATOM 0 HA PHE A 37 14.150 17.089 7.872 1.00 61.55 H new ATOM 0 HB2 PHE A 37 12.514 19.557 8.578 1.00 63.22 H new ATOM 0 HB3 PHE A 37 12.348 18.583 7.131 1.00 63.22 H new ATOM 0 HD1 PHE A 37 11.906 15.989 7.606 1.00 2.30 H new ATOM 0 HD2 PHE A 37 11.065 19.145 10.341 1.00 61.00 H new ATOM 0 HE1 PHE A 37 10.276 14.555 8.756 1.00 11.31 H new ATOM 0 HE2 PHE A 37 9.436 17.713 11.493 1.00 0.53 H new ATOM 0 HZ PHE A 37 9.033 15.417 10.700 1.00 2.11 H new ATOM 503 N GLU A 38 16.079 19.384 8.340 1.00 72.55 N ATOM 504 CA GLU A 38 17.062 20.312 7.795 1.00 50.25 C ATOM 505 C GLU A 38 18.129 19.568 6.997 1.00 42.43 C ATOM 506 O GLU A 38 18.771 20.139 6.115 1.00 11.45 O ATOM 507 CB GLU A 38 17.718 21.114 8.921 1.00 52.25 C ATOM 508 CG GLU A 38 18.764 22.103 8.434 1.00 14.30 C ATOM 509 CD GLU A 38 18.958 23.265 9.390 1.00 74.53 C ATOM 510 OE1 GLU A 38 18.190 23.362 10.370 1.00 71.24 O ATOM 511 OE2 GLU A 38 19.878 24.076 9.157 1.00 0.10 O ATOM 0 H GLU A 38 16.302 19.031 9.270 1.00 72.55 H new ATOM 0 HA GLU A 38 16.544 20.998 7.124 1.00 50.25 H new ATOM 0 HB2 GLU A 38 16.946 21.655 9.468 1.00 52.25 H new ATOM 0 HB3 GLU A 38 18.183 20.423 9.625 1.00 52.25 H new ATOM 0 HG2 GLU A 38 19.714 21.585 8.300 1.00 14.30 H new ATOM 0 HG3 GLU A 38 18.469 22.486 7.457 1.00 14.30 H new ATOM 518 N ALA A 39 18.313 18.291 7.313 1.00 22.14 N ATOM 519 CA ALA A 39 19.301 17.468 6.626 1.00 13.12 C ATOM 520 C ALA A 39 18.834 17.110 5.219 1.00 12.14 C ATOM 521 O ALA A 39 19.634 16.724 4.367 1.00 45.00 O ATOM 522 CB ALA A 39 19.585 16.206 7.427 1.00 45.10 C ATOM 0 H ALA A 39 17.791 17.803 8.041 1.00 22.14 H new ATOM 0 HA ALA A 39 20.222 18.045 6.539 1.00 13.12 H new ATOM 0 HB1 ALA A 39 20.324 15.601 6.902 1.00 45.10 H new ATOM 0 HB2 ALA A 39 19.970 16.478 8.410 1.00 45.10 H new ATOM 0 HB3 ALA A 39 18.664 15.634 7.543 1.00 45.10 H new ATOM 528 N THR A 40 17.532 17.240 4.982 1.00 61.22 N ATOM 529 CA THR A 40 16.958 16.928 3.679 1.00 42.21 C ATOM 530 C THR A 40 16.866 18.175 2.806 1.00 20.34 C ATOM 531 O THR A 40 16.873 18.087 1.578 1.00 24.43 O ATOM 532 CB THR A 40 15.555 16.307 3.817 1.00 44.10 C ATOM 533 OG1 THR A 40 15.631 15.088 4.564 1.00 72.31 O ATOM 534 CG2 THR A 40 14.948 16.033 2.449 1.00 11.34 C ATOM 0 H THR A 40 16.856 17.559 5.675 1.00 61.22 H new ATOM 0 HA THR A 40 17.622 16.205 3.206 1.00 42.21 H new ATOM 0 HB THR A 40 14.917 17.017 4.344 1.00 44.10 H new ATOM 0 HG1 THR A 40 14.735 14.700 4.649 1.00 72.31 H new ATOM 0 HG21 THR A 40 13.958 15.595 2.572 1.00 11.34 H new ATOM 0 HG22 THR A 40 14.865 16.967 1.894 1.00 11.34 H new ATOM 0 HG23 THR A 40 15.586 15.340 1.900 1.00 11.34 H new ATOM 542 N TYR A 41 16.780 19.335 3.448 1.00 71.23 N ATOM 543 CA TYR A 41 16.685 20.600 2.729 1.00 35.02 C ATOM 544 C TYR A 41 18.049 21.028 2.197 1.00 54.24 C ATOM 545 O TYR A 41 18.157 21.569 1.095 1.00 34.02 O ATOM 546 CB TYR A 41 16.117 21.688 3.643 1.00 71.33 C ATOM 547 CG TYR A 41 16.363 23.092 3.138 1.00 22.40 C ATOM 548 CD1 TYR A 41 16.016 23.456 1.843 1.00 71.01 C ATOM 549 CD2 TYR A 41 16.944 24.053 3.956 1.00 50.15 C ATOM 550 CE1 TYR A 41 16.240 24.737 1.377 1.00 14.20 C ATOM 551 CE2 TYR A 41 17.170 25.337 3.499 1.00 40.03 C ATOM 552 CZ TYR A 41 16.816 25.674 2.209 1.00 44.22 C ATOM 553 OH TYR A 41 17.041 26.952 1.750 1.00 63.35 O ATOM 0 H TYR A 41 16.774 19.425 4.464 1.00 71.23 H new ATOM 0 HA TYR A 41 16.013 20.458 1.882 1.00 35.02 H new ATOM 0 HB2 TYR A 41 15.044 21.534 3.754 1.00 71.33 H new ATOM 0 HB3 TYR A 41 16.558 21.585 4.634 1.00 71.33 H new ATOM 0 HD1 TYR A 41 15.563 22.725 1.189 1.00 71.01 H new ATOM 0 HD2 TYR A 41 17.224 23.792 4.966 1.00 50.15 H new ATOM 0 HE1 TYR A 41 15.966 25.003 0.367 1.00 14.20 H new ATOM 0 HE2 TYR A 41 17.621 26.073 4.148 1.00 40.03 H new ATOM 0 HH TYR A 41 17.452 27.487 2.461 1.00 63.35 H new ATOM 563 N LEU A 42 19.088 20.782 2.986 1.00 62.11 N ATOM 564 CA LEU A 42 20.447 21.140 2.595 1.00 3.53 C ATOM 565 C LEU A 42 20.992 20.163 1.559 1.00 21.42 C ATOM 566 O LEU A 42 21.590 20.569 0.563 1.00 31.33 O ATOM 567 CB LEU A 42 21.362 21.164 3.821 1.00 11.23 C ATOM 568 CG LEU A 42 21.738 22.548 4.351 1.00 3.31 C ATOM 569 CD1 LEU A 42 20.503 23.286 4.842 1.00 14.13 C ATOM 570 CD2 LEU A 42 22.769 22.431 5.464 1.00 23.02 C ATOM 0 H LEU A 42 19.016 20.336 3.901 1.00 62.11 H new ATOM 0 HA LEU A 42 20.420 22.134 2.150 1.00 3.53 H new ATOM 0 HB2 LEU A 42 20.875 20.610 4.623 1.00 11.23 H new ATOM 0 HB3 LEU A 42 22.280 20.630 3.575 1.00 11.23 H new ATOM 0 HG LEU A 42 22.177 23.121 3.534 1.00 3.31 H new ATOM 0 HD11 LEU A 42 20.791 24.269 5.215 1.00 14.13 H new ATOM 0 HD12 LEU A 42 19.798 23.403 4.019 1.00 14.13 H new ATOM 0 HD13 LEU A 42 20.034 22.716 5.644 1.00 14.13 H new ATOM 0 HD21 LEU A 42 23.025 23.426 5.829 1.00 23.02 H new ATOM 0 HD22 LEU A 42 22.357 21.839 6.281 1.00 23.02 H new ATOM 0 HD23 LEU A 42 23.665 21.944 5.080 1.00 23.02 H new ATOM 582 N GLU A 43 20.779 18.873 1.801 1.00 71.24 N ATOM 583 CA GLU A 43 21.248 17.838 0.887 1.00 71.40 C ATOM 584 C GLU A 43 20.802 18.131 -0.543 1.00 4.43 C ATOM 585 O GLU A 43 21.595 18.047 -1.482 1.00 30.31 O ATOM 586 CB GLU A 43 20.727 16.467 1.324 1.00 60.34 C ATOM 587 CG GLU A 43 21.587 15.798 2.383 1.00 15.45 C ATOM 588 CD GLU A 43 22.809 15.118 1.799 1.00 3.13 C ATOM 589 OE1 GLU A 43 22.658 14.371 0.810 1.00 33.14 O ATOM 590 OE2 GLU A 43 23.918 15.334 2.332 1.00 65.35 O ATOM 0 H GLU A 43 20.285 18.520 2.621 1.00 71.24 H new ATOM 0 HA GLU A 43 22.338 17.831 0.915 1.00 71.40 H new ATOM 0 HB2 GLU A 43 19.713 16.579 1.709 1.00 60.34 H new ATOM 0 HB3 GLU A 43 20.667 15.816 0.452 1.00 60.34 H new ATOM 0 HG2 GLU A 43 21.905 16.544 3.112 1.00 15.45 H new ATOM 0 HG3 GLU A 43 20.988 15.062 2.920 1.00 15.45 H new ATOM 597 N LEU A 44 19.529 18.476 -0.700 1.00 43.22 N ATOM 598 CA LEU A 44 18.977 18.782 -2.015 1.00 54.31 C ATOM 599 C LEU A 44 19.353 20.196 -2.448 1.00 71.44 C ATOM 600 O LEU A 44 19.463 20.481 -3.640 1.00 40.33 O ATOM 601 CB LEU A 44 17.455 18.630 -1.998 1.00 54.04 C ATOM 602 CG LEU A 44 16.677 19.737 -1.286 1.00 0.21 C ATOM 603 CD1 LEU A 44 16.350 20.866 -2.251 1.00 42.11 C ATOM 604 CD2 LEU A 44 15.405 19.180 -0.664 1.00 0.14 C ATOM 0 H LEU A 44 18.860 18.551 0.066 1.00 43.22 H new ATOM 0 HA LEU A 44 19.399 18.078 -2.732 1.00 54.31 H new ATOM 0 HB2 LEU A 44 17.104 18.572 -3.028 1.00 54.04 H new ATOM 0 HB3 LEU A 44 17.210 17.679 -1.524 1.00 54.04 H new ATOM 0 HG LEU A 44 17.302 20.138 -0.488 1.00 0.21 H new ATOM 0 HD11 LEU A 44 15.796 21.644 -1.726 1.00 42.11 H new ATOM 0 HD12 LEU A 44 17.275 21.284 -2.649 1.00 42.11 H new ATOM 0 HD13 LEU A 44 15.744 20.480 -3.071 1.00 42.11 H new ATOM 0 HD21 LEU A 44 14.864 19.982 -0.162 1.00 0.14 H new ATOM 0 HD22 LEU A 44 14.776 18.751 -1.444 1.00 0.14 H new ATOM 0 HD23 LEU A 44 15.662 18.407 0.060 1.00 0.14 H new ATOM 616 N ALA A 45 19.551 21.075 -1.472 1.00 51.31 N ATOM 617 CA ALA A 45 19.919 22.457 -1.752 1.00 43.44 C ATOM 618 C ALA A 45 21.316 22.541 -2.359 1.00 10.23 C ATOM 619 O ALA A 45 21.592 23.407 -3.189 1.00 12.43 O ATOM 620 CB ALA A 45 19.842 23.292 -0.483 1.00 1.05 C ATOM 0 H ALA A 45 19.463 20.855 -0.480 1.00 51.31 H new ATOM 0 HA ALA A 45 19.211 22.855 -2.479 1.00 43.44 H new ATOM 0 HB1 ALA A 45 20.120 24.322 -0.708 1.00 1.05 H new ATOM 0 HB2 ALA A 45 18.825 23.267 -0.092 1.00 1.05 H new ATOM 0 HB3 ALA A 45 20.527 22.886 0.262 1.00 1.05 H new ATOM 626 N SER A 46 22.194 21.636 -1.938 1.00 51.11 N ATOM 627 CA SER A 46 23.564 21.611 -2.437 1.00 30.23 C ATOM 628 C SER A 46 23.590 21.356 -3.941 1.00 22.43 C ATOM 629 O SER A 46 24.587 21.626 -4.610 1.00 13.41 O ATOM 630 CB SER A 46 24.373 20.534 -1.711 1.00 44.31 C ATOM 631 OG SER A 46 24.848 19.555 -2.618 1.00 60.25 O ATOM 0 H SER A 46 21.981 20.911 -1.253 1.00 51.11 H new ATOM 0 HA SER A 46 24.013 22.585 -2.244 1.00 30.23 H new ATOM 0 HB2 SER A 46 25.215 20.994 -1.194 1.00 44.31 H new ATOM 0 HB3 SER A 46 23.753 20.059 -0.951 1.00 44.31 H new ATOM 0 HG SER A 46 25.363 18.879 -2.130 1.00 60.25 H new ATOM 637 N ALA A 47 22.487 20.832 -4.465 1.00 12.31 N ATOM 638 CA ALA A 47 22.381 20.542 -5.889 1.00 62.14 C ATOM 639 C ALA A 47 21.389 21.480 -6.569 1.00 25.11 C ATOM 640 O ALA A 47 21.531 21.801 -7.749 1.00 25.20 O ATOM 641 CB ALA A 47 21.971 19.092 -6.104 1.00 4.35 C ATOM 0 H ALA A 47 21.654 20.600 -3.924 1.00 12.31 H new ATOM 0 HA ALA A 47 23.360 20.702 -6.340 1.00 62.14 H new ATOM 0 HB1 ALA A 47 21.896 18.890 -7.172 1.00 4.35 H new ATOM 0 HB2 ALA A 47 22.718 18.433 -5.662 1.00 4.35 H new ATOM 0 HB3 ALA A 47 21.005 18.913 -5.632 1.00 4.35 H new ATOM 647 N VAL A 48 20.384 21.917 -5.817 1.00 21.52 N ATOM 648 CA VAL A 48 19.369 22.818 -6.347 1.00 15.43 C ATOM 649 C VAL A 48 19.993 24.117 -6.846 1.00 32.34 C ATOM 650 O VAL A 48 19.440 24.791 -7.714 1.00 55.33 O ATOM 651 CB VAL A 48 18.302 23.149 -5.285 1.00 65.12 C ATOM 652 CG1 VAL A 48 18.721 24.361 -4.467 1.00 23.22 C ATOM 653 CG2 VAL A 48 16.950 23.381 -5.943 1.00 25.22 C ATOM 0 H VAL A 48 20.251 21.661 -4.839 1.00 21.52 H new ATOM 0 HA VAL A 48 18.893 22.303 -7.181 1.00 15.43 H new ATOM 0 HB VAL A 48 18.210 22.299 -4.609 1.00 65.12 H new ATOM 0 HG11 VAL A 48 17.956 24.580 -3.722 1.00 23.22 H new ATOM 0 HG12 VAL A 48 19.666 24.152 -3.965 1.00 23.22 H new ATOM 0 HG13 VAL A 48 18.842 25.221 -5.126 1.00 23.22 H new ATOM 0 HG21 VAL A 48 16.208 23.613 -5.179 1.00 25.22 H new ATOM 0 HG22 VAL A 48 17.024 24.214 -6.642 1.00 25.22 H new ATOM 0 HG23 VAL A 48 16.648 22.482 -6.480 1.00 25.22 H new ATOM 663 N LYS A 49 21.150 24.462 -6.291 1.00 33.23 N ATOM 664 CA LYS A 49 21.852 25.679 -6.679 1.00 64.25 C ATOM 665 C LYS A 49 22.455 25.537 -8.074 1.00 0.44 C ATOM 666 O LYS A 49 22.860 26.524 -8.687 1.00 5.13 O ATOM 667 CB LYS A 49 22.953 26.002 -5.667 1.00 3.32 C ATOM 668 CG LYS A 49 23.220 27.490 -5.512 1.00 75.41 C ATOM 669 CD LYS A 49 22.306 28.114 -4.470 1.00 45.13 C ATOM 670 CE LYS A 49 21.020 28.632 -5.095 1.00 42.12 C ATOM 671 NZ LYS A 49 20.419 29.734 -4.294 1.00 35.53 N ATOM 0 H LYS A 49 21.621 23.915 -5.570 1.00 33.23 H new ATOM 0 HA LYS A 49 21.131 26.496 -6.695 1.00 64.25 H new ATOM 0 HB2 LYS A 49 22.676 25.588 -4.697 1.00 3.32 H new ATOM 0 HB3 LYS A 49 23.874 25.506 -5.974 1.00 3.32 H new ATOM 0 HG2 LYS A 49 24.260 27.646 -5.226 1.00 75.41 H new ATOM 0 HG3 LYS A 49 23.075 27.989 -6.470 1.00 75.41 H new ATOM 0 HD2 LYS A 49 22.068 27.376 -3.704 1.00 45.13 H new ATOM 0 HD3 LYS A 49 22.826 28.933 -3.972 1.00 45.13 H new ATOM 0 HE2 LYS A 49 21.224 28.987 -6.105 1.00 42.12 H new ATOM 0 HE3 LYS A 49 20.304 27.815 -5.183 1.00 42.12 H new ATOM 0 HZ1 LYS A 49 19.487 29.979 -4.685 1.00 35.53 H new ATOM 0 HZ2 LYS A 49 20.310 29.426 -3.307 1.00 35.53 H new ATOM 0 HZ3 LYS A 49 21.040 30.568 -4.330 1.00 35.53 H new ATOM 685 N GLU A 50 22.509 24.304 -8.568 1.00 11.51 N ATOM 686 CA GLU A 50 23.062 24.036 -9.890 1.00 74.13 C ATOM 687 C GLU A 50 22.005 24.238 -10.973 1.00 3.22 C ATOM 688 O GLU A 50 22.319 24.263 -12.163 1.00 32.44 O ATOM 689 CB GLU A 50 23.610 22.609 -9.958 1.00 2.10 C ATOM 690 CG GLU A 50 24.294 22.282 -11.275 1.00 24.14 C ATOM 691 CD GLU A 50 25.060 20.974 -11.225 1.00 2.11 C ATOM 692 OE1 GLU A 50 24.414 19.911 -11.125 1.00 35.40 O ATOM 693 OE2 GLU A 50 26.307 21.015 -11.286 1.00 70.32 O ATOM 0 H GLU A 50 22.177 23.476 -8.073 1.00 11.51 H new ATOM 0 HA GLU A 50 23.876 24.739 -10.065 1.00 74.13 H new ATOM 0 HB2 GLU A 50 24.319 22.462 -9.144 1.00 2.10 H new ATOM 0 HB3 GLU A 50 22.792 21.907 -9.799 1.00 2.10 H new ATOM 0 HG2 GLU A 50 23.546 22.231 -12.066 1.00 24.14 H new ATOM 0 HG3 GLU A 50 24.978 23.090 -11.535 1.00 24.14 H new ATOM 700 N GLN A 51 20.753 24.382 -10.550 1.00 44.02 N ATOM 701 CA GLN A 51 19.651 24.581 -11.483 1.00 73.24 C ATOM 702 C GLN A 51 19.403 26.066 -11.725 1.00 12.24 C ATOM 703 O GLN A 51 19.380 26.524 -12.867 1.00 52.32 O ATOM 704 CB GLN A 51 18.379 23.919 -10.951 1.00 15.12 C ATOM 705 CG GLN A 51 18.620 22.558 -10.319 1.00 34.30 C ATOM 706 CD GLN A 51 19.240 21.567 -11.285 1.00 55.51 C ATOM 707 OE1 GLN A 51 20.461 21.422 -11.344 1.00 72.32 O ATOM 708 NE2 GLN A 51 18.399 20.880 -12.049 1.00 72.12 N ATOM 0 H GLN A 51 20.477 24.365 -9.568 1.00 44.02 H new ATOM 0 HA GLN A 51 19.924 24.118 -12.432 1.00 73.24 H new ATOM 0 HB2 GLN A 51 17.919 24.576 -10.213 1.00 15.12 H new ATOM 0 HB3 GLN A 51 17.667 23.809 -11.769 1.00 15.12 H new ATOM 0 HG2 GLN A 51 19.273 22.674 -9.454 1.00 34.30 H new ATOM 0 HG3 GLN A 51 17.674 22.159 -9.953 1.00 34.30 H new ATOM 0 HE21 GLN A 51 17.394 21.033 -11.966 1.00 72.12 H new ATOM 0 HE22 GLN A 51 18.758 20.199 -12.719 1.00 72.12 H new ATOM 717 N TYR A 52 19.217 26.813 -10.642 1.00 43.21 N ATOM 718 CA TYR A 52 18.968 28.247 -10.736 1.00 60.32 C ATOM 719 C TYR A 52 19.790 29.012 -9.704 1.00 24.44 C ATOM 720 O TYR A 52 19.293 29.419 -8.654 1.00 15.31 O ATOM 721 CB TYR A 52 17.480 28.541 -10.539 1.00 70.11 C ATOM 722 CG TYR A 52 16.766 27.512 -9.692 1.00 63.31 C ATOM 723 CD1 TYR A 52 17.289 27.106 -8.470 1.00 14.31 C ATOM 724 CD2 TYR A 52 15.571 26.944 -10.114 1.00 75.00 C ATOM 725 CE1 TYR A 52 16.640 26.166 -7.693 1.00 25.32 C ATOM 726 CE2 TYR A 52 14.915 26.004 -9.343 1.00 32.11 C ATOM 727 CZ TYR A 52 15.454 25.618 -8.133 1.00 72.14 C ATOM 728 OH TYR A 52 14.804 24.681 -7.363 1.00 24.30 O ATOM 0 H TYR A 52 19.234 26.449 -9.689 1.00 43.21 H new ATOM 0 HA TYR A 52 19.269 28.578 -11.730 1.00 60.32 H new ATOM 0 HB2 TYR A 52 17.370 29.521 -10.074 1.00 70.11 H new ATOM 0 HB3 TYR A 52 16.997 28.595 -11.515 1.00 70.11 H new ATOM 0 HD1 TYR A 52 18.218 27.532 -8.122 1.00 14.31 H new ATOM 0 HD2 TYR A 52 15.147 27.242 -11.061 1.00 75.00 H new ATOM 0 HE1 TYR A 52 17.060 25.862 -6.745 1.00 25.32 H new ATOM 0 HE2 TYR A 52 13.985 25.574 -9.685 1.00 32.11 H new ATOM 0 HH TYR A 52 13.885 24.573 -7.686 1.00 24.30 H new ATOM 738 N PRO A 53 21.081 29.212 -10.008 1.00 2.23 N ATOM 739 CA PRO A 53 22.001 29.930 -9.120 1.00 42.15 C ATOM 740 C PRO A 53 21.687 31.420 -9.042 1.00 53.12 C ATOM 741 O PRO A 53 22.279 32.149 -8.247 1.00 33.50 O ATOM 742 CB PRO A 53 23.369 29.706 -9.771 1.00 34.33 C ATOM 743 CG PRO A 53 23.069 29.461 -11.209 1.00 55.53 C ATOM 744 CD PRO A 53 21.742 28.754 -11.241 1.00 40.13 C ATOM 0 HA PRO A 53 21.938 29.572 -8.092 1.00 42.15 H new ATOM 0 HB2 PRO A 53 24.015 30.575 -9.644 1.00 34.33 H new ATOM 0 HB3 PRO A 53 23.886 28.857 -9.324 1.00 34.33 H new ATOM 0 HG2 PRO A 53 23.025 30.398 -11.764 1.00 55.53 H new ATOM 0 HG3 PRO A 53 23.846 28.853 -11.672 1.00 55.53 H new ATOM 0 HD2 PRO A 53 21.167 29.020 -12.128 1.00 40.13 H new ATOM 0 HD3 PRO A 53 21.864 27.671 -11.253 1.00 40.13 H new ATOM 752 N GLY A 54 20.750 31.867 -9.873 1.00 51.23 N ATOM 753 CA GLY A 54 20.373 33.269 -9.881 1.00 70.44 C ATOM 754 C GLY A 54 19.277 33.580 -8.882 1.00 33.00 C ATOM 755 O GLY A 54 19.202 34.693 -8.360 1.00 35.31 O ATOM 0 H GLY A 54 20.245 31.284 -10.541 1.00 51.23 H new ATOM 0 HA2 GLY A 54 21.248 33.879 -9.657 1.00 70.44 H new ATOM 0 HA3 GLY A 54 20.039 33.546 -10.881 1.00 70.44 H new ATOM 759 N ILE A 55 18.424 32.596 -8.616 1.00 51.41 N ATOM 760 CA ILE A 55 17.326 32.772 -7.673 1.00 62.32 C ATOM 761 C ILE A 55 17.840 32.852 -6.240 1.00 4.31 C ATOM 762 O ILE A 55 19.045 32.943 -6.007 1.00 2.50 O ATOM 763 CB ILE A 55 16.306 31.623 -7.777 1.00 21.41 C ATOM 764 CG1 ILE A 55 16.921 30.318 -7.267 1.00 23.21 C ATOM 765 CG2 ILE A 55 15.831 31.464 -9.213 1.00 54.44 C ATOM 766 CD1 ILE A 55 16.242 29.772 -6.030 1.00 52.15 C ATOM 0 H ILE A 55 18.472 31.669 -9.040 1.00 51.41 H new ATOM 0 HA ILE A 55 16.834 33.709 -7.933 1.00 62.32 H new ATOM 0 HB ILE A 55 15.445 31.865 -7.155 1.00 21.41 H new ATOM 0 HG12 ILE A 55 16.873 29.570 -8.058 1.00 23.21 H new ATOM 0 HG13 ILE A 55 17.976 30.484 -7.049 1.00 23.21 H new ATOM 0 HG21 ILE A 55 15.111 30.648 -9.270 1.00 54.44 H new ATOM 0 HG22 ILE A 55 15.359 32.389 -9.544 1.00 54.44 H new ATOM 0 HG23 ILE A 55 16.683 31.241 -9.855 1.00 54.44 H new ATOM 0 HD11 ILE A 55 16.730 28.846 -5.725 1.00 52.15 H new ATOM 0 HD12 ILE A 55 16.313 30.502 -5.224 1.00 52.15 H new ATOM 0 HD13 ILE A 55 15.193 29.574 -6.248 1.00 52.15 H new ATOM 778 N GLU A 56 16.918 32.816 -5.283 1.00 41.31 N ATOM 779 CA GLU A 56 17.279 32.884 -3.872 1.00 41.30 C ATOM 780 C GLU A 56 16.455 31.897 -3.051 1.00 72.33 C ATOM 781 O GLU A 56 15.255 32.090 -2.850 1.00 5.01 O ATOM 782 CB GLU A 56 17.074 34.304 -3.338 1.00 65.42 C ATOM 783 CG GLU A 56 18.370 35.012 -2.980 1.00 41.02 C ATOM 784 CD GLU A 56 18.138 36.309 -2.229 1.00 72.23 C ATOM 785 OE1 GLU A 56 17.686 36.249 -1.067 1.00 5.23 O ATOM 786 OE2 GLU A 56 18.408 37.384 -2.805 1.00 60.43 O ATOM 0 H GLU A 56 15.916 32.740 -5.459 1.00 41.31 H new ATOM 0 HA GLU A 56 18.332 32.617 -3.780 1.00 41.30 H new ATOM 0 HB2 GLU A 56 16.543 34.892 -4.087 1.00 65.42 H new ATOM 0 HB3 GLU A 56 16.436 34.263 -2.455 1.00 65.42 H new ATOM 0 HG2 GLU A 56 18.986 34.349 -2.372 1.00 41.02 H new ATOM 0 HG3 GLU A 56 18.930 35.220 -3.892 1.00 41.02 H new ATOM 793 N ILE A 57 17.107 30.839 -2.581 1.00 75.40 N ATOM 794 CA ILE A 57 16.435 29.821 -1.782 1.00 53.12 C ATOM 795 C ILE A 57 16.940 29.829 -0.344 1.00 2.45 C ATOM 796 O ILE A 57 18.042 29.360 -0.060 1.00 52.31 O ATOM 797 CB ILE A 57 16.636 28.415 -2.377 1.00 31.20 C ATOM 798 CG1 ILE A 57 16.268 27.344 -1.347 1.00 41.54 C ATOM 799 CG2 ILE A 57 18.073 28.237 -2.843 1.00 42.51 C ATOM 800 CD1 ILE A 57 14.885 27.520 -0.761 1.00 74.24 C ATOM 0 H ILE A 57 18.099 30.664 -2.739 1.00 75.40 H new ATOM 0 HA ILE A 57 15.372 30.063 -1.793 1.00 53.12 H new ATOM 0 HB ILE A 57 15.979 28.305 -3.239 1.00 31.20 H new ATOM 0 HG12 ILE A 57 16.333 26.362 -1.816 1.00 41.54 H new ATOM 0 HG13 ILE A 57 17.001 27.360 -0.540 1.00 41.54 H new ATOM 0 HG21 ILE A 57 18.199 27.238 -3.261 1.00 42.51 H new ATOM 0 HG22 ILE A 57 18.303 28.981 -3.606 1.00 42.51 H new ATOM 0 HG23 ILE A 57 18.748 28.364 -1.997 1.00 42.51 H new ATOM 0 HD11 ILE A 57 14.692 26.726 -0.039 1.00 74.24 H new ATOM 0 HD12 ILE A 57 14.822 28.487 -0.262 1.00 74.24 H new ATOM 0 HD13 ILE A 57 14.143 27.474 -1.558 1.00 74.24 H new ATOM 812 N GLU A 58 16.126 30.364 0.561 1.00 50.50 N ATOM 813 CA GLU A 58 16.491 30.432 1.971 1.00 0.41 C ATOM 814 C GLU A 58 15.606 29.513 2.807 1.00 32.32 C ATOM 815 O GLU A 58 14.677 28.890 2.292 1.00 44.13 O ATOM 816 CB GLU A 58 16.377 31.870 2.482 1.00 41.44 C ATOM 817 CG GLU A 58 17.594 32.725 2.170 1.00 50.22 C ATOM 818 CD GLU A 58 17.318 34.209 2.316 1.00 74.03 C ATOM 819 OE1 GLU A 58 16.130 34.583 2.418 1.00 44.43 O ATOM 820 OE2 GLU A 58 18.287 34.995 2.328 1.00 43.43 O ATOM 0 H GLU A 58 15.210 30.756 0.343 1.00 50.50 H new ATOM 0 HA GLU A 58 17.525 30.100 2.068 1.00 0.41 H new ATOM 0 HB2 GLU A 58 15.495 32.334 2.042 1.00 41.44 H new ATOM 0 HB3 GLU A 58 16.223 31.852 3.561 1.00 41.44 H new ATOM 0 HG2 GLU A 58 18.411 32.444 2.835 1.00 50.22 H new ATOM 0 HG3 GLU A 58 17.926 32.520 1.152 1.00 50.22 H new ATOM 827 N SER A 59 15.901 29.432 4.101 1.00 50.43 N ATOM 828 CA SER A 59 15.136 28.586 5.008 1.00 34.23 C ATOM 829 C SER A 59 14.175 29.421 5.850 1.00 72.44 C ATOM 830 O SER A 59 14.320 30.639 5.952 1.00 20.21 O ATOM 831 CB SER A 59 16.077 27.798 5.921 1.00 64.43 C ATOM 832 OG SER A 59 17.334 28.443 6.037 1.00 55.22 O ATOM 0 H SER A 59 16.665 29.943 4.544 1.00 50.43 H new ATOM 0 HA SER A 59 14.553 27.887 4.408 1.00 34.23 H new ATOM 0 HB2 SER A 59 15.627 27.692 6.908 1.00 64.43 H new ATOM 0 HB3 SER A 59 16.216 26.792 5.524 1.00 64.43 H new ATOM 0 HG SER A 59 17.917 27.921 6.627 1.00 55.22 H new ATOM 838 N ARG A 60 13.193 28.756 6.450 1.00 60.42 N ATOM 839 CA ARG A 60 12.207 29.435 7.281 1.00 11.23 C ATOM 840 C ARG A 60 11.464 28.439 8.167 1.00 12.40 C ATOM 841 O ARG A 60 11.222 27.299 7.770 1.00 75.13 O ATOM 842 CB ARG A 60 11.211 30.199 6.407 1.00 34.10 C ATOM 843 CG ARG A 60 10.054 30.803 7.187 1.00 61.22 C ATOM 844 CD ARG A 60 10.544 31.784 8.240 1.00 44.21 C ATOM 845 NE ARG A 60 10.079 33.144 7.980 1.00 63.13 N ATOM 846 CZ ARG A 60 10.706 33.993 7.173 1.00 10.33 C ATOM 847 NH1 ARG A 60 11.817 33.625 6.551 1.00 25.25 N ATOM 848 NH2 ARG A 60 10.221 35.214 6.987 1.00 14.11 N ATOM 0 H ARG A 60 13.059 27.748 6.376 1.00 60.42 H new ATOM 0 HA ARG A 60 12.734 30.142 7.922 1.00 11.23 H new ATOM 0 HB2 ARG A 60 11.738 30.995 5.881 1.00 34.10 H new ATOM 0 HB3 ARG A 60 10.814 29.524 5.649 1.00 34.10 H new ATOM 0 HG2 ARG A 60 9.378 31.312 6.501 1.00 61.22 H new ATOM 0 HG3 ARG A 60 9.483 30.008 7.666 1.00 61.22 H new ATOM 0 HD2 ARG A 60 10.197 31.464 9.223 1.00 44.21 H new ATOM 0 HD3 ARG A 60 11.634 31.772 8.267 1.00 44.21 H new ATOM 0 HE ARG A 60 9.227 33.459 8.443 1.00 63.13 H new ATOM 0 HH11 ARG A 60 12.193 32.687 6.691 1.00 25.25 H new ATOM 0 HH12 ARG A 60 12.296 34.279 5.932 1.00 25.25 H new ATOM 0 HH21 ARG A 60 9.366 35.501 7.464 1.00 14.11 H new ATOM 0 HH22 ARG A 60 10.703 35.865 6.367 1.00 14.11 H new ATOM 862 N LEU A 61 11.105 28.878 9.369 1.00 61.53 N ATOM 863 CA LEU A 61 10.390 28.025 10.312 1.00 73.12 C ATOM 864 C LEU A 61 8.942 27.826 9.876 1.00 54.01 C ATOM 865 O LEU A 61 8.371 28.666 9.181 1.00 32.24 O ATOM 866 CB LEU A 61 10.433 28.634 11.714 1.00 21.24 C ATOM 867 CG LEU A 61 10.445 27.641 12.877 1.00 30.22 C ATOM 868 CD1 LEU A 61 11.674 26.749 12.805 1.00 63.55 C ATOM 869 CD2 LEU A 61 10.396 28.377 14.208 1.00 41.31 C ATOM 0 H LEU A 61 11.297 29.819 9.713 1.00 61.53 H new ATOM 0 HA LEU A 61 10.882 27.052 10.330 1.00 73.12 H new ATOM 0 HB2 LEU A 61 11.321 29.261 11.789 1.00 21.24 H new ATOM 0 HB3 LEU A 61 9.570 29.289 11.831 1.00 21.24 H new ATOM 0 HG LEU A 61 9.559 27.011 12.800 1.00 30.22 H new ATOM 0 HD11 LEU A 61 11.665 26.049 13.641 1.00 63.55 H new ATOM 0 HD12 LEU A 61 11.666 26.194 11.867 1.00 63.55 H new ATOM 0 HD13 LEU A 61 12.573 27.363 12.856 1.00 63.55 H new ATOM 0 HD21 LEU A 61 10.405 27.654 15.024 1.00 41.31 H new ATOM 0 HD22 LEU A 61 11.263 29.032 14.294 1.00 41.31 H new ATOM 0 HD23 LEU A 61 9.485 28.973 14.261 1.00 41.31 H new ATOM 881 N GLY A 62 8.352 26.709 10.291 1.00 70.21 N ATOM 882 CA GLY A 62 6.975 26.421 9.935 1.00 32.34 C ATOM 883 C GLY A 62 6.060 26.384 11.143 1.00 13.13 C ATOM 884 O GLY A 62 5.012 27.028 11.157 1.00 51.51 O ATOM 0 H GLY A 62 8.803 25.999 10.867 1.00 70.21 H new ATOM 0 HA2 GLY A 62 6.618 27.177 9.236 1.00 32.34 H new ATOM 0 HA3 GLY A 62 6.929 25.462 9.419 1.00 32.34 H new ATOM 888 N GLY A 63 6.456 25.626 12.161 1.00 33.32 N ATOM 889 CA GLY A 63 5.651 25.520 13.364 1.00 22.04 C ATOM 890 C GLY A 63 5.939 24.253 14.145 1.00 62.21 C ATOM 891 O GLY A 63 6.411 24.307 15.281 1.00 11.42 O ATOM 0 H GLY A 63 7.320 25.084 12.174 1.00 33.32 H new ATOM 0 HA2 GLY A 63 5.838 26.385 14.000 1.00 22.04 H new ATOM 0 HA3 GLY A 63 4.595 25.545 13.094 1.00 22.04 H new ATOM 895 N THR A 64 5.654 23.106 13.536 1.00 55.35 N ATOM 896 CA THR A 64 5.882 21.820 14.181 1.00 32.13 C ATOM 897 C THR A 64 5.605 20.667 13.223 1.00 23.12 C ATOM 898 O THR A 64 4.456 20.396 12.878 1.00 60.11 O ATOM 899 CB THR A 64 4.999 21.655 15.433 1.00 42.20 C ATOM 900 OG1 THR A 64 3.935 22.612 15.411 1.00 15.41 O ATOM 901 CG2 THR A 64 5.821 21.832 16.701 1.00 34.52 C ATOM 0 H THR A 64 5.264 23.042 12.596 1.00 55.35 H new ATOM 0 HA THR A 64 6.930 21.798 14.479 1.00 32.13 H new ATOM 0 HB THR A 64 4.582 20.648 15.427 1.00 42.20 H new ATOM 0 HG1 THR A 64 3.377 22.500 16.209 1.00 15.41 H new ATOM 0 HG21 THR A 64 5.177 21.711 17.572 1.00 34.52 H new ATOM 0 HG22 THR A 64 6.613 21.083 16.729 1.00 34.52 H new ATOM 0 HG23 THR A 64 6.263 22.828 16.712 1.00 34.52 H new ATOM 909 N GLY A 65 6.667 19.990 12.797 1.00 63.20 N ATOM 910 CA GLY A 65 6.517 18.873 11.883 1.00 60.13 C ATOM 911 C GLY A 65 5.762 19.252 10.624 1.00 63.41 C ATOM 912 O GLY A 65 4.725 18.666 10.314 1.00 1.12 O ATOM 0 H GLY A 65 7.629 20.195 13.069 1.00 63.20 H new ATOM 0 HA2 GLY A 65 7.503 18.494 11.612 1.00 60.13 H new ATOM 0 HA3 GLY A 65 5.992 18.062 12.388 1.00 60.13 H new ATOM 916 N ALA A 66 6.283 20.235 9.897 1.00 72.10 N ATOM 917 CA ALA A 66 5.651 20.691 8.665 1.00 63.21 C ATOM 918 C ALA A 66 6.664 20.777 7.528 1.00 2.43 C ATOM 919 O ALA A 66 7.869 20.653 7.747 1.00 65.34 O ATOM 920 CB ALA A 66 4.983 22.040 8.882 1.00 13.15 C ATOM 0 H ALA A 66 7.141 20.731 10.140 1.00 72.10 H new ATOM 0 HA ALA A 66 4.890 19.962 8.385 1.00 63.21 H new ATOM 0 HB1 ALA A 66 4.515 22.368 7.954 1.00 13.15 H new ATOM 0 HB2 ALA A 66 4.224 21.949 9.659 1.00 13.15 H new ATOM 0 HB3 ALA A 66 5.731 22.771 9.190 1.00 13.15 H new ATOM 926 N PHE A 67 6.168 20.991 6.314 1.00 34.13 N ATOM 927 CA PHE A 67 7.030 21.092 5.143 1.00 53.34 C ATOM 928 C PHE A 67 6.384 21.960 4.066 1.00 63.10 C ATOM 929 O PHE A 67 6.364 21.595 2.891 1.00 50.41 O ATOM 930 CB PHE A 67 7.328 19.701 4.581 1.00 63.31 C ATOM 931 CG PHE A 67 8.510 19.669 3.654 1.00 53.31 C ATOM 932 CD1 PHE A 67 9.795 19.841 4.142 1.00 11.42 C ATOM 933 CD2 PHE A 67 8.335 19.467 2.294 1.00 1.14 C ATOM 934 CE1 PHE A 67 10.884 19.814 3.291 1.00 35.21 C ATOM 935 CE2 PHE A 67 9.420 19.438 1.438 1.00 1.04 C ATOM 936 CZ PHE A 67 10.696 19.611 1.938 1.00 60.42 C ATOM 0 H PHE A 67 5.173 21.098 6.116 1.00 34.13 H new ATOM 0 HA PHE A 67 7.965 21.560 5.450 1.00 53.34 H new ATOM 0 HB2 PHE A 67 7.507 19.014 5.408 1.00 63.31 H new ATOM 0 HB3 PHE A 67 6.449 19.337 4.049 1.00 63.31 H new ATOM 0 HD1 PHE A 67 9.948 19.998 5.200 1.00 11.42 H new ATOM 0 HD2 PHE A 67 7.339 19.331 1.898 1.00 1.14 H new ATOM 0 HE1 PHE A 67 11.881 19.951 3.684 1.00 35.21 H new ATOM 0 HE2 PHE A 67 9.270 19.280 0.380 1.00 1.04 H new ATOM 0 HZ PHE A 67 11.546 19.588 1.272 1.00 60.42 H new ATOM 946 N GLU A 68 5.858 23.109 4.477 1.00 12.24 N ATOM 947 CA GLU A 68 5.210 24.028 3.548 1.00 24.04 C ATOM 948 C GLU A 68 6.220 24.601 2.558 1.00 52.12 C ATOM 949 O GLU A 68 7.138 25.326 2.941 1.00 4.11 O ATOM 950 CB GLU A 68 4.528 25.164 4.313 1.00 52.33 C ATOM 951 CG GLU A 68 3.291 24.726 5.078 1.00 31.35 C ATOM 952 CD GLU A 68 2.433 25.895 5.521 1.00 44.42 C ATOM 953 OE1 GLU A 68 2.808 27.050 5.228 1.00 14.24 O ATOM 954 OE2 GLU A 68 1.387 25.655 6.160 1.00 43.24 O ATOM 0 H GLU A 68 5.868 23.426 5.446 1.00 12.24 H new ATOM 0 HA GLU A 68 4.456 23.471 2.991 1.00 24.04 H new ATOM 0 HB2 GLU A 68 5.242 25.600 5.012 1.00 52.33 H new ATOM 0 HB3 GLU A 68 4.251 25.949 3.610 1.00 52.33 H new ATOM 0 HG2 GLU A 68 2.697 24.062 4.450 1.00 31.35 H new ATOM 0 HG3 GLU A 68 3.594 24.151 5.953 1.00 31.35 H new ATOM 961 N ILE A 69 6.042 24.270 1.283 1.00 4.13 N ATOM 962 CA ILE A 69 6.937 24.752 0.238 1.00 74.22 C ATOM 963 C ILE A 69 6.465 26.093 -0.315 1.00 33.55 C ATOM 964 O ILE A 69 5.424 26.174 -0.966 1.00 10.42 O ATOM 965 CB ILE A 69 7.045 23.742 -0.920 1.00 32.21 C ATOM 966 CG1 ILE A 69 7.581 22.403 -0.409 1.00 75.20 C ATOM 967 CG2 ILE A 69 7.940 24.292 -2.020 1.00 70.54 C ATOM 968 CD1 ILE A 69 7.316 21.248 -1.350 1.00 24.15 C ATOM 0 H ILE A 69 5.287 23.671 0.949 1.00 4.13 H new ATOM 0 HA ILE A 69 7.919 24.875 0.695 1.00 74.22 H new ATOM 0 HB ILE A 69 6.050 23.579 -1.335 1.00 32.21 H new ATOM 0 HG12 ILE A 69 8.655 22.489 -0.246 1.00 75.20 H new ATOM 0 HG13 ILE A 69 7.128 22.185 0.558 1.00 75.20 H new ATOM 0 HG21 ILE A 69 8.007 23.567 -2.831 1.00 70.54 H new ATOM 0 HG22 ILE A 69 7.520 25.224 -2.399 1.00 70.54 H new ATOM 0 HG23 ILE A 69 8.936 24.480 -1.619 1.00 70.54 H new ATOM 0 HD11 ILE A 69 7.723 20.331 -0.924 1.00 24.15 H new ATOM 0 HD12 ILE A 69 6.241 21.135 -1.494 1.00 24.15 H new ATOM 0 HD13 ILE A 69 7.792 21.445 -2.311 1.00 24.15 H new ATOM 980 N GLU A 70 7.239 27.141 -0.051 1.00 31.42 N ATOM 981 CA GLU A 70 6.900 28.478 -0.523 1.00 32.12 C ATOM 982 C GLU A 70 7.767 28.870 -1.716 1.00 31.12 C ATOM 983 O GLU A 70 8.956 29.153 -1.566 1.00 30.42 O ATOM 984 CB GLU A 70 7.071 29.499 0.604 1.00 41.24 C ATOM 985 CG GLU A 70 6.210 29.212 1.822 1.00 73.11 C ATOM 986 CD GLU A 70 6.339 30.278 2.892 1.00 12.22 C ATOM 987 OE1 GLU A 70 7.437 30.858 3.022 1.00 44.04 O ATOM 988 OE2 GLU A 70 5.342 30.533 3.600 1.00 23.32 O ATOM 0 H GLU A 70 8.104 27.090 0.487 1.00 31.42 H new ATOM 0 HA GLU A 70 5.857 28.470 -0.841 1.00 32.12 H new ATOM 0 HB2 GLU A 70 8.118 29.521 0.907 1.00 41.24 H new ATOM 0 HB3 GLU A 70 6.828 30.491 0.224 1.00 41.24 H new ATOM 0 HG2 GLU A 70 5.167 29.135 1.515 1.00 73.11 H new ATOM 0 HG3 GLU A 70 6.491 28.246 2.241 1.00 73.11 H new ATOM 995 N ILE A 71 7.163 28.884 -2.899 1.00 61.33 N ATOM 996 CA ILE A 71 7.879 29.241 -4.117 1.00 43.25 C ATOM 997 C ILE A 71 8.168 30.738 -4.166 1.00 65.42 C ATOM 998 O ILE A 71 9.121 31.175 -4.811 1.00 15.34 O ATOM 999 CB ILE A 71 7.085 28.842 -5.375 1.00 51.11 C ATOM 1000 CG1 ILE A 71 7.904 29.130 -6.635 1.00 40.00 C ATOM 1001 CG2 ILE A 71 5.757 29.582 -5.420 1.00 14.53 C ATOM 1002 CD1 ILE A 71 9.236 28.414 -6.667 1.00 31.34 C ATOM 0 H ILE A 71 6.180 28.652 -3.040 1.00 61.33 H new ATOM 0 HA ILE A 71 8.820 28.691 -4.102 1.00 43.25 H new ATOM 0 HB ILE A 71 6.881 27.772 -5.333 1.00 51.11 H new ATOM 0 HG12 ILE A 71 7.323 28.839 -7.510 1.00 40.00 H new ATOM 0 HG13 ILE A 71 8.076 30.204 -6.709 1.00 40.00 H new ATOM 0 HG21 ILE A 71 5.208 29.289 -6.315 1.00 14.53 H new ATOM 0 HG22 ILE A 71 5.171 29.331 -4.536 1.00 14.53 H new ATOM 0 HG23 ILE A 71 5.940 30.656 -5.442 1.00 14.53 H new ATOM 0 HD11 ILE A 71 9.762 28.665 -7.588 1.00 31.34 H new ATOM 0 HD12 ILE A 71 9.836 28.723 -5.811 1.00 31.34 H new ATOM 0 HD13 ILE A 71 9.071 27.337 -6.625 1.00 31.34 H new ATOM 1014 N ASN A 72 7.341 31.517 -3.478 1.00 53.44 N ATOM 1015 CA ASN A 72 7.508 32.966 -3.442 1.00 22.31 C ATOM 1016 C ASN A 72 7.286 33.504 -2.031 1.00 64.45 C ATOM 1017 O ASN A 72 6.792 34.616 -1.850 1.00 61.55 O ATOM 1018 CB ASN A 72 6.536 33.637 -4.414 1.00 44.05 C ATOM 1019 CG ASN A 72 7.132 33.812 -5.798 1.00 72.22 C ATOM 1020 OD1 ASN A 72 7.354 32.701 -6.491 1.00 5.43 O flip ATOM 1021 ND2 ASN A 72 7.388 34.932 -6.239 1.00 40.01 N flip ATOM 0 H ASN A 72 6.548 31.170 -2.938 1.00 53.44 H new ATOM 0 HA ASN A 72 8.530 33.196 -3.744 1.00 22.31 H new ATOM 0 HB2 ASN A 72 5.627 33.039 -4.485 1.00 44.05 H new ATOM 0 HB3 ASN A 72 6.247 34.611 -4.020 1.00 44.05 H new ATOM 0 HD21 ASN A 72 7.201 35.759 -5.671 1.00 40.01 H new ATOM 0 HD22 ASN A 72 7.787 35.034 -7.172 1.00 40.01 H new ATOM 1028 N GLY A 73 7.657 32.706 -1.034 1.00 73.44 N ATOM 1029 CA GLY A 73 7.491 33.119 0.347 1.00 71.51 C ATOM 1030 C GLY A 73 6.112 32.796 0.887 1.00 52.11 C ATOM 1031 O GLY A 73 5.846 32.979 2.074 1.00 33.25 O ATOM 0 H GLY A 73 8.069 31.781 -1.158 1.00 73.44 H new ATOM 0 HA2 GLY A 73 8.244 32.627 0.963 1.00 71.51 H new ATOM 0 HA3 GLY A 73 7.667 34.192 0.426 1.00 71.51 H new ATOM 1035 N GLN A 74 5.233 32.317 0.013 1.00 72.03 N ATOM 1036 CA GLN A 74 3.873 31.971 0.409 1.00 12.10 C ATOM 1037 C GLN A 74 3.575 30.505 0.112 1.00 43.24 C ATOM 1038 O GLN A 74 4.140 29.922 -0.815 1.00 30.44 O ATOM 1039 CB GLN A 74 2.865 32.865 -0.315 1.00 40.51 C ATOM 1040 CG GLN A 74 2.856 34.301 0.185 1.00 44.13 C ATOM 1041 CD GLN A 74 3.743 35.212 -0.641 1.00 71.04 C ATOM 1042 OE1 GLN A 74 4.206 34.836 -1.719 1.00 4.35 O ATOM 1043 NE2 GLN A 74 3.984 36.418 -0.140 1.00 75.13 N ATOM 0 H GLN A 74 5.438 32.160 -0.974 1.00 72.03 H new ATOM 0 HA GLN A 74 3.783 32.130 1.484 1.00 12.10 H new ATOM 0 HB2 GLN A 74 3.090 32.862 -1.382 1.00 40.51 H new ATOM 0 HB3 GLN A 74 1.867 32.442 -0.198 1.00 40.51 H new ATOM 0 HG2 GLN A 74 1.835 34.681 0.168 1.00 44.13 H new ATOM 0 HG3 GLN A 74 3.187 34.322 1.223 1.00 44.13 H new ATOM 0 HE21 GLN A 74 3.580 36.688 0.757 1.00 75.13 H new ATOM 0 HE22 GLN A 74 4.573 37.075 -0.652 1.00 75.13 H new ATOM 1052 N LEU A 75 2.686 29.915 0.903 1.00 61.04 N ATOM 1053 CA LEU A 75 2.313 28.516 0.724 1.00 22.14 C ATOM 1054 C LEU A 75 1.663 28.295 -0.638 1.00 21.24 C ATOM 1055 O LEU A 75 0.574 28.801 -0.907 1.00 35.32 O ATOM 1056 CB LEU A 75 1.358 28.077 1.835 1.00 31.25 C ATOM 1057 CG LEU A 75 0.987 26.593 1.854 1.00 1.55 C ATOM 1058 CD1 LEU A 75 2.238 25.731 1.920 1.00 42.33 C ATOM 1059 CD2 LEU A 75 0.066 26.289 3.027 1.00 53.04 C ATOM 0 H LEU A 75 2.210 30.383 1.674 1.00 61.04 H new ATOM 0 HA LEU A 75 3.221 27.914 0.774 1.00 22.14 H new ATOM 0 HB2 LEU A 75 1.808 28.331 2.795 1.00 31.25 H new ATOM 0 HB3 LEU A 75 0.441 28.659 1.749 1.00 31.25 H new ATOM 0 HG LEU A 75 0.457 26.359 0.931 1.00 1.55 H new ATOM 0 HD11 LEU A 75 1.954 24.679 1.933 1.00 42.33 H new ATOM 0 HD12 LEU A 75 2.862 25.928 1.048 1.00 42.33 H new ATOM 0 HD13 LEU A 75 2.795 25.968 2.826 1.00 42.33 H new ATOM 0 HD21 LEU A 75 -0.188 25.229 3.025 1.00 53.04 H new ATOM 0 HD22 LEU A 75 0.570 26.540 3.960 1.00 53.04 H new ATOM 0 HD23 LEU A 75 -0.845 26.880 2.937 1.00 53.04 H new ATOM 1071 N VAL A 76 2.338 27.534 -1.493 1.00 62.14 N ATOM 1072 CA VAL A 76 1.825 27.242 -2.827 1.00 1.54 C ATOM 1073 C VAL A 76 1.594 25.747 -3.012 1.00 22.11 C ATOM 1074 O VAL A 76 0.805 25.330 -3.860 1.00 63.01 O ATOM 1075 CB VAL A 76 2.788 27.741 -3.920 1.00 43.41 C ATOM 1076 CG1 VAL A 76 2.225 27.448 -5.302 1.00 41.23 C ATOM 1077 CG2 VAL A 76 3.061 29.228 -3.751 1.00 43.30 C ATOM 0 H VAL A 76 3.242 27.108 -1.286 1.00 62.14 H new ATOM 0 HA VAL A 76 0.875 27.768 -2.923 1.00 1.54 H new ATOM 0 HB VAL A 76 3.733 27.207 -3.818 1.00 43.41 H new ATOM 0 HG11 VAL A 76 2.919 27.808 -6.061 1.00 41.23 H new ATOM 0 HG12 VAL A 76 2.086 26.373 -5.418 1.00 41.23 H new ATOM 0 HG13 VAL A 76 1.266 27.953 -5.419 1.00 41.23 H new ATOM 0 HG21 VAL A 76 3.743 29.564 -4.532 1.00 43.30 H new ATOM 0 HG22 VAL A 76 2.124 29.781 -3.825 1.00 43.30 H new ATOM 0 HG23 VAL A 76 3.511 29.407 -2.774 1.00 43.30 H new ATOM 1087 N PHE A 77 2.287 24.943 -2.212 1.00 45.32 N ATOM 1088 CA PHE A 77 2.159 23.493 -2.288 1.00 33.32 C ATOM 1089 C PHE A 77 2.628 22.837 -0.993 1.00 21.34 C ATOM 1090 O PHE A 77 3.824 22.627 -0.788 1.00 73.24 O ATOM 1091 CB PHE A 77 2.964 22.949 -3.469 1.00 64.24 C ATOM 1092 CG PHE A 77 2.213 22.974 -4.770 1.00 2.52 C ATOM 1093 CD1 PHE A 77 1.123 22.144 -4.972 1.00 21.42 C ATOM 1094 CD2 PHE A 77 2.598 23.829 -5.790 1.00 54.33 C ATOM 1095 CE1 PHE A 77 0.429 22.165 -6.167 1.00 63.12 C ATOM 1096 CE2 PHE A 77 1.907 23.855 -6.987 1.00 45.35 C ATOM 1097 CZ PHE A 77 0.823 23.021 -7.177 1.00 12.34 C ATOM 0 H PHE A 77 2.943 25.272 -1.504 1.00 45.32 H new ATOM 0 HA PHE A 77 1.106 23.254 -2.435 1.00 33.32 H new ATOM 0 HB2 PHE A 77 3.878 23.533 -3.575 1.00 64.24 H new ATOM 0 HB3 PHE A 77 3.265 21.924 -3.252 1.00 64.24 H new ATOM 0 HD1 PHE A 77 0.811 21.472 -4.186 1.00 21.42 H new ATOM 0 HD2 PHE A 77 3.447 24.482 -5.648 1.00 54.33 H new ATOM 0 HE1 PHE A 77 -0.420 21.513 -6.311 1.00 63.12 H new ATOM 0 HE2 PHE A 77 2.215 24.528 -7.774 1.00 45.35 H new ATOM 0 HZ PHE A 77 0.285 23.038 -8.113 1.00 12.34 H new ATOM 1107 N SER A 78 1.678 22.516 -0.120 1.00 73.15 N ATOM 1108 CA SER A 78 1.993 21.888 1.157 1.00 21.12 C ATOM 1109 C SER A 78 2.145 20.378 0.998 1.00 40.23 C ATOM 1110 O SER A 78 1.519 19.767 0.131 1.00 11.14 O ATOM 1111 CB SER A 78 0.902 22.196 2.184 1.00 0.43 C ATOM 1112 OG SER A 78 0.388 23.505 2.005 1.00 73.54 O ATOM 0 H SER A 78 0.683 22.681 -0.274 1.00 73.15 H new ATOM 0 HA SER A 78 2.940 22.296 1.510 1.00 21.12 H new ATOM 0 HB2 SER A 78 0.095 21.469 2.091 1.00 0.43 H new ATOM 0 HB3 SER A 78 1.307 22.095 3.191 1.00 0.43 H new ATOM 0 HG SER A 78 -0.590 23.484 2.070 1.00 73.54 H new ATOM 1118 N LYS A 79 2.982 19.782 1.840 1.00 32.11 N ATOM 1119 CA LYS A 79 3.217 18.344 1.796 1.00 62.42 C ATOM 1120 C LYS A 79 2.417 17.628 2.879 1.00 74.42 C ATOM 1121 O LYS A 79 2.212 16.415 2.814 1.00 31.33 O ATOM 1122 CB LYS A 79 4.708 18.045 1.967 1.00 22.41 C ATOM 1123 CG LYS A 79 5.013 16.571 2.174 1.00 2.12 C ATOM 1124 CD LYS A 79 5.139 16.230 3.649 1.00 30.34 C ATOM 1125 CE LYS A 79 6.072 15.049 3.871 1.00 72.24 C ATOM 1126 NZ LYS A 79 5.741 14.307 5.119 1.00 4.20 N ATOM 0 H LYS A 79 3.509 20.273 2.562 1.00 32.11 H new ATOM 0 HA LYS A 79 2.888 17.977 0.824 1.00 62.42 H new ATOM 0 HB2 LYS A 79 5.244 18.398 1.086 1.00 22.41 H new ATOM 0 HB3 LYS A 79 5.088 18.609 2.819 1.00 22.41 H new ATOM 0 HG2 LYS A 79 4.222 15.969 1.727 1.00 2.12 H new ATOM 0 HG3 LYS A 79 5.939 16.314 1.660 1.00 2.12 H new ATOM 0 HD2 LYS A 79 5.513 17.097 4.193 1.00 30.34 H new ATOM 0 HD3 LYS A 79 4.154 15.998 4.055 1.00 30.34 H new ATOM 0 HE2 LYS A 79 6.010 14.372 3.019 1.00 72.24 H new ATOM 0 HE3 LYS A 79 7.101 15.404 3.922 1.00 72.24 H new ATOM 0 HZ1 LYS A 79 6.399 13.510 5.234 1.00 4.20 H new ATOM 0 HZ2 LYS A 79 5.825 14.946 5.935 1.00 4.20 H new ATOM 0 HZ3 LYS A 79 4.767 13.946 5.060 1.00 4.20 H new ATOM 1140 N LEU A 80 1.965 18.385 3.872 1.00 12.02 N ATOM 1141 CA LEU A 80 1.185 17.823 4.969 1.00 35.22 C ATOM 1142 C LEU A 80 -0.223 17.460 4.506 1.00 0.34 C ATOM 1143 O LEU A 80 -0.990 16.845 5.246 1.00 60.21 O ATOM 1144 CB LEU A 80 1.112 18.815 6.131 1.00 51.53 C ATOM 1145 CG LEU A 80 2.054 18.546 7.304 1.00 24.42 C ATOM 1146 CD1 LEU A 80 3.492 18.437 6.820 1.00 0.32 C ATOM 1147 CD2 LEU A 80 1.924 19.639 8.355 1.00 63.41 C ATOM 0 H LEU A 80 2.125 19.390 3.940 1.00 12.02 H new ATOM 0 HA LEU A 80 1.683 16.914 5.307 1.00 35.22 H new ATOM 0 HB2 LEU A 80 1.321 19.812 5.744 1.00 51.53 H new ATOM 0 HB3 LEU A 80 0.089 18.827 6.508 1.00 51.53 H new ATOM 0 HG LEU A 80 1.773 17.597 7.760 1.00 24.42 H new ATOM 0 HD11 LEU A 80 4.148 18.245 7.669 1.00 0.32 H new ATOM 0 HD12 LEU A 80 3.574 17.618 6.106 1.00 0.32 H new ATOM 0 HD13 LEU A 80 3.785 19.370 6.338 1.00 0.32 H new ATOM 0 HD21 LEU A 80 2.602 19.431 9.183 1.00 63.41 H new ATOM 0 HD22 LEU A 80 2.178 20.602 7.912 1.00 63.41 H new ATOM 0 HD23 LEU A 80 0.899 19.668 8.725 1.00 63.41 H new ATOM 1159 N GLU A 81 -0.554 17.845 3.278 1.00 62.25 N ATOM 1160 CA GLU A 81 -1.869 17.558 2.716 1.00 1.53 C ATOM 1161 C GLU A 81 -1.768 16.537 1.587 1.00 42.32 C ATOM 1162 O GLU A 81 -2.504 15.552 1.559 1.00 54.42 O ATOM 1163 CB GLU A 81 -2.518 18.844 2.200 1.00 74.02 C ATOM 1164 CG GLU A 81 -1.643 19.621 1.231 1.00 54.22 C ATOM 1165 CD GLU A 81 -2.170 21.017 0.960 1.00 73.03 C ATOM 1166 OE1 GLU A 81 -2.578 21.695 1.926 1.00 30.44 O ATOM 1167 OE2 GLU A 81 -2.175 21.432 -0.218 1.00 73.41 O ATOM 0 H GLU A 81 0.070 18.356 2.653 1.00 62.25 H new ATOM 0 HA GLU A 81 -2.490 17.138 3.507 1.00 1.53 H new ATOM 0 HB2 GLU A 81 -3.458 18.594 1.708 1.00 74.02 H new ATOM 0 HB3 GLU A 81 -2.763 19.483 3.048 1.00 74.02 H new ATOM 0 HG2 GLU A 81 -0.633 19.690 1.635 1.00 54.22 H new ATOM 0 HG3 GLU A 81 -1.574 19.074 0.291 1.00 54.22 H new ATOM 1174 N ASN A 82 -0.850 16.781 0.657 1.00 51.21 N ATOM 1175 CA ASN A 82 -0.653 15.884 -0.476 1.00 2.20 C ATOM 1176 C ASN A 82 -0.426 14.452 -0.002 1.00 62.25 C ATOM 1177 O ASN A 82 -1.123 13.530 -0.423 1.00 74.12 O ATOM 1178 CB ASN A 82 0.536 16.349 -1.320 1.00 30.31 C ATOM 1179 CG ASN A 82 0.784 15.448 -2.515 1.00 12.14 C ATOM 1180 OD1 ASN A 82 -0.135 15.135 -3.271 1.00 75.02 O ATOM 1181 ND2 ASN A 82 2.031 15.027 -2.689 1.00 60.11 N ATOM 0 H ASN A 82 -0.231 17.592 0.666 1.00 51.21 H new ATOM 0 HA ASN A 82 -1.555 15.907 -1.088 1.00 2.20 H new ATOM 0 HB2 ASN A 82 0.356 17.367 -1.667 1.00 30.31 H new ATOM 0 HB3 ASN A 82 1.431 16.378 -0.698 1.00 30.31 H new ATOM 0 HD21 ASN A 82 2.259 14.418 -3.475 1.00 60.11 H new ATOM 0 HD22 ASN A 82 2.761 15.312 -2.037 1.00 60.11 H new ATOM 1188 N GLY A 83 0.555 14.273 0.877 1.00 45.21 N ATOM 1189 CA GLY A 83 0.857 12.951 1.394 1.00 51.03 C ATOM 1190 C GLY A 83 2.339 12.635 1.349 1.00 13.14 C ATOM 1191 O GLY A 83 2.766 11.566 1.784 1.00 50.35 O ATOM 0 H GLY A 83 1.146 15.020 1.241 1.00 45.21 H new ATOM 0 HA2 GLY A 83 0.504 12.877 2.423 1.00 51.03 H new ATOM 0 HA3 GLY A 83 0.312 12.205 0.816 1.00 51.03 H new ATOM 1195 N GLY A 84 3.126 13.568 0.821 1.00 33.40 N ATOM 1196 CA GLY A 84 4.560 13.363 0.729 1.00 14.45 C ATOM 1197 C GLY A 84 4.984 12.829 -0.624 1.00 52.32 C ATOM 1198 O GLY A 84 4.258 12.967 -1.609 1.00 60.42 O ATOM 0 H GLY A 84 2.796 14.461 0.456 1.00 33.40 H new ATOM 0 HA2 GLY A 84 5.072 14.306 0.920 1.00 14.45 H new ATOM 0 HA3 GLY A 84 4.875 12.666 1.506 1.00 14.45 H new ATOM 1202 N PHE A 85 6.164 12.220 -0.675 1.00 35.43 N ATOM 1203 CA PHE A 85 6.685 11.665 -1.919 1.00 10.34 C ATOM 1204 C PHE A 85 6.866 12.759 -2.968 1.00 20.45 C ATOM 1205 O PHE A 85 6.188 12.787 -3.995 1.00 21.12 O ATOM 1206 CB PHE A 85 5.746 10.582 -2.452 1.00 73.41 C ATOM 1207 CG PHE A 85 5.319 9.591 -1.407 1.00 15.01 C ATOM 1208 CD1 PHE A 85 6.255 8.982 -0.587 1.00 72.32 C ATOM 1209 CD2 PHE A 85 3.981 9.270 -1.244 1.00 33.42 C ATOM 1210 CE1 PHE A 85 5.864 8.069 0.375 1.00 43.43 C ATOM 1211 CE2 PHE A 85 3.584 8.358 -0.283 1.00 41.23 C ATOM 1212 CZ PHE A 85 4.527 7.758 0.528 1.00 43.13 C ATOM 0 H PHE A 85 6.778 12.098 0.131 1.00 35.43 H new ATOM 0 HA PHE A 85 7.658 11.221 -1.710 1.00 10.34 H new ATOM 0 HB2 PHE A 85 4.860 11.056 -2.875 1.00 73.41 H new ATOM 0 HB3 PHE A 85 6.242 10.050 -3.264 1.00 73.41 H new ATOM 0 HD1 PHE A 85 7.302 9.223 -0.700 1.00 72.32 H new ATOM 0 HD2 PHE A 85 3.239 9.737 -1.875 1.00 33.42 H new ATOM 0 HE1 PHE A 85 6.604 7.599 1.006 1.00 43.43 H new ATOM 0 HE2 PHE A 85 2.538 8.115 -0.167 1.00 41.23 H new ATOM 0 HZ PHE A 85 4.220 7.047 1.281 1.00 43.13 H new ATOM 1222 N PRO A 86 7.803 13.682 -2.704 1.00 33.34 N ATOM 1223 CA PRO A 86 8.095 14.795 -3.612 1.00 25.52 C ATOM 1224 C PRO A 86 8.774 14.331 -4.896 1.00 43.22 C ATOM 1225 O PRO A 86 9.124 13.159 -5.037 1.00 52.02 O ATOM 1226 CB PRO A 86 9.042 15.679 -2.796 1.00 33.22 C ATOM 1227 CG PRO A 86 9.684 14.750 -1.824 1.00 42.20 C ATOM 1228 CD PRO A 86 8.648 13.710 -1.498 1.00 63.14 C ATOM 0 HA PRO A 86 7.188 15.305 -3.937 1.00 25.52 H new ATOM 0 HB2 PRO A 86 9.784 16.159 -3.434 1.00 33.22 H new ATOM 0 HB3 PRO A 86 8.499 16.474 -2.285 1.00 33.22 H new ATOM 0 HG2 PRO A 86 10.575 14.292 -2.253 1.00 42.20 H new ATOM 0 HG3 PRO A 86 9.999 15.282 -0.926 1.00 42.20 H new ATOM 0 HD2 PRO A 86 9.101 12.738 -1.302 1.00 63.14 H new ATOM 0 HD3 PRO A 86 8.074 13.978 -0.611 1.00 63.14 H new ATOM 1236 N TYR A 87 8.958 15.258 -5.830 1.00 23.11 N ATOM 1237 CA TYR A 87 9.594 14.944 -7.104 1.00 31.40 C ATOM 1238 C TYR A 87 10.522 16.072 -7.543 1.00 1.02 C ATOM 1239 O TYR A 87 10.145 17.243 -7.524 1.00 34.01 O ATOM 1240 CB TYR A 87 8.534 14.693 -8.178 1.00 63.13 C ATOM 1241 CG TYR A 87 7.391 13.822 -7.709 1.00 70.44 C ATOM 1242 CD1 TYR A 87 7.552 12.449 -7.565 1.00 11.03 C ATOM 1243 CD2 TYR A 87 6.150 14.370 -7.412 1.00 53.41 C ATOM 1244 CE1 TYR A 87 6.510 11.649 -7.137 1.00 60.24 C ATOM 1245 CE2 TYR A 87 5.103 13.578 -6.983 1.00 12.23 C ATOM 1246 CZ TYR A 87 5.288 12.218 -6.847 1.00 53.11 C ATOM 1247 OH TYR A 87 4.247 11.425 -6.421 1.00 52.21 O ATOM 0 H TYR A 87 8.676 16.233 -5.729 1.00 23.11 H new ATOM 0 HA TYR A 87 10.189 14.040 -6.971 1.00 31.40 H new ATOM 0 HB2 TYR A 87 8.136 15.650 -8.514 1.00 63.13 H new ATOM 0 HB3 TYR A 87 9.007 14.224 -9.041 1.00 63.13 H new ATOM 0 HD1 TYR A 87 8.508 12.000 -7.791 1.00 11.03 H new ATOM 0 HD2 TYR A 87 6.001 15.434 -7.518 1.00 53.41 H new ATOM 0 HE1 TYR A 87 6.652 10.584 -7.030 1.00 60.24 H new ATOM 0 HE2 TYR A 87 4.145 14.021 -6.755 1.00 12.23 H new ATOM 0 HH TYR A 87 3.457 11.982 -6.259 1.00 52.21 H new ATOM 1257 N GLU A 88 11.738 15.709 -7.938 1.00 44.11 N ATOM 1258 CA GLU A 88 12.721 16.691 -8.382 1.00 23.43 C ATOM 1259 C GLU A 88 12.137 17.595 -9.464 1.00 24.43 C ATOM 1260 O GLU A 88 12.514 18.760 -9.585 1.00 42.43 O ATOM 1261 CB GLU A 88 13.974 15.988 -8.910 1.00 11.21 C ATOM 1262 CG GLU A 88 13.731 15.179 -10.173 1.00 21.13 C ATOM 1263 CD GLU A 88 14.882 14.246 -10.498 1.00 53.43 C ATOM 1264 OE1 GLU A 88 16.047 14.665 -10.338 1.00 4.12 O ATOM 1265 OE2 GLU A 88 14.617 13.099 -10.913 1.00 70.04 O ATOM 0 H GLU A 88 12.066 14.743 -7.960 1.00 44.11 H new ATOM 0 HA GLU A 88 12.993 17.308 -7.526 1.00 23.43 H new ATOM 0 HB2 GLU A 88 14.743 16.735 -9.109 1.00 11.21 H new ATOM 0 HB3 GLU A 88 14.364 15.328 -8.135 1.00 11.21 H new ATOM 0 HG2 GLU A 88 12.817 14.596 -10.057 1.00 21.13 H new ATOM 0 HG3 GLU A 88 13.571 15.858 -11.010 1.00 21.13 H new ATOM 1272 N LYS A 89 11.215 17.048 -10.248 1.00 50.15 N ATOM 1273 CA LYS A 89 10.577 17.803 -11.321 1.00 20.15 C ATOM 1274 C LYS A 89 9.407 18.623 -10.787 1.00 10.13 C ATOM 1275 O LYS A 89 9.104 19.698 -11.304 1.00 15.53 O ATOM 1276 CB LYS A 89 10.090 16.856 -12.419 1.00 63.44 C ATOM 1277 CG LYS A 89 8.896 16.011 -12.010 1.00 11.52 C ATOM 1278 CD LYS A 89 8.563 14.968 -13.063 1.00 53.32 C ATOM 1279 CE LYS A 89 7.926 13.734 -12.443 1.00 73.03 C ATOM 1280 NZ LYS A 89 7.561 12.722 -13.473 1.00 23.42 N ATOM 0 H LYS A 89 10.892 16.084 -10.161 1.00 50.15 H new ATOM 0 HA LYS A 89 11.316 18.486 -11.740 1.00 20.15 H new ATOM 0 HB2 LYS A 89 9.826 17.441 -13.300 1.00 63.44 H new ATOM 0 HB3 LYS A 89 10.909 16.197 -12.708 1.00 63.44 H new ATOM 0 HG2 LYS A 89 9.107 15.517 -11.061 1.00 11.52 H new ATOM 0 HG3 LYS A 89 8.032 16.655 -11.849 1.00 11.52 H new ATOM 0 HD2 LYS A 89 7.885 15.397 -13.800 1.00 53.32 H new ATOM 0 HD3 LYS A 89 9.471 14.682 -13.594 1.00 53.32 H new ATOM 0 HE2 LYS A 89 8.617 13.290 -11.726 1.00 73.03 H new ATOM 0 HE3 LYS A 89 7.034 14.025 -11.888 1.00 73.03 H new ATOM 0 HZ1 LYS A 89 7.130 11.896 -13.011 1.00 23.42 H new ATOM 0 HZ2 LYS A 89 6.882 13.137 -14.143 1.00 23.42 H new ATOM 0 HZ3 LYS A 89 8.416 12.425 -13.986 1.00 23.42 H new ATOM 1294 N ASP A 90 8.755 18.110 -9.750 1.00 31.54 N ATOM 1295 CA ASP A 90 7.620 18.796 -9.144 1.00 73.01 C ATOM 1296 C ASP A 90 8.090 19.840 -8.136 1.00 24.52 C ATOM 1297 O ASP A 90 7.286 20.591 -7.583 1.00 22.14 O ATOM 1298 CB ASP A 90 6.693 17.789 -8.460 1.00 44.30 C ATOM 1299 CG ASP A 90 5.342 18.386 -8.117 1.00 64.32 C ATOM 1300 OD1 ASP A 90 4.457 18.395 -8.998 1.00 34.42 O ATOM 1301 OD2 ASP A 90 5.170 18.843 -6.968 1.00 65.21 O ATOM 0 H ASP A 90 8.993 17.221 -9.311 1.00 31.54 H new ATOM 0 HA ASP A 90 7.070 19.304 -9.936 1.00 73.01 H new ATOM 0 HB2 ASP A 90 6.551 16.928 -9.113 1.00 44.30 H new ATOM 0 HB3 ASP A 90 7.167 17.423 -7.549 1.00 44.30 H new ATOM 1306 N LEU A 91 9.397 19.880 -7.901 1.00 1.04 N ATOM 1307 CA LEU A 91 9.976 20.831 -6.958 1.00 33.03 C ATOM 1308 C LEU A 91 10.729 21.935 -7.692 1.00 5.54 C ATOM 1309 O LEU A 91 11.161 22.915 -7.084 1.00 0.54 O ATOM 1310 CB LEU A 91 10.917 20.111 -5.990 1.00 41.42 C ATOM 1311 CG LEU A 91 10.314 19.702 -4.646 1.00 54.12 C ATOM 1312 CD1 LEU A 91 9.610 18.359 -4.764 1.00 52.00 C ATOM 1313 CD2 LEU A 91 11.390 19.650 -3.572 1.00 21.20 C ATOM 0 H LEU A 91 10.076 19.265 -8.350 1.00 1.04 H new ATOM 0 HA LEU A 91 9.163 21.286 -6.393 1.00 33.03 H new ATOM 0 HB2 LEU A 91 11.297 19.216 -6.482 1.00 41.42 H new ATOM 0 HB3 LEU A 91 11.774 20.758 -5.799 1.00 41.42 H new ATOM 0 HG LEU A 91 9.577 20.451 -4.357 1.00 54.12 H new ATOM 0 HD11 LEU A 91 9.187 18.084 -3.798 1.00 52.00 H new ATOM 0 HD12 LEU A 91 8.812 18.430 -5.503 1.00 52.00 H new ATOM 0 HD13 LEU A 91 10.326 17.599 -5.076 1.00 52.00 H new ATOM 0 HD21 LEU A 91 10.942 19.357 -2.622 1.00 21.20 H new ATOM 0 HD22 LEU A 91 12.151 18.922 -3.854 1.00 21.20 H new ATOM 0 HD23 LEU A 91 11.849 20.633 -3.469 1.00 21.20 H new ATOM 1325 N ILE A 92 10.882 21.771 -9.001 1.00 61.12 N ATOM 1326 CA ILE A 92 11.580 22.756 -9.818 1.00 65.31 C ATOM 1327 C ILE A 92 10.659 23.337 -10.885 1.00 45.51 C ATOM 1328 O ILE A 92 11.001 24.318 -11.546 1.00 20.23 O ATOM 1329 CB ILE A 92 12.818 22.144 -10.502 1.00 12.43 C ATOM 1330 CG1 ILE A 92 13.880 23.220 -10.739 1.00 73.04 C ATOM 1331 CG2 ILE A 92 12.425 21.481 -11.813 1.00 53.44 C ATOM 1332 CD1 ILE A 92 15.103 22.711 -11.469 1.00 72.33 C ATOM 0 H ILE A 92 10.532 20.965 -9.519 1.00 61.12 H new ATOM 0 HA ILE A 92 11.902 23.552 -9.147 1.00 65.31 H new ATOM 0 HB ILE A 92 13.239 21.383 -9.845 1.00 12.43 H new ATOM 0 HG12 ILE A 92 13.438 24.035 -11.312 1.00 73.04 H new ATOM 0 HG13 ILE A 92 14.186 23.635 -9.779 1.00 73.04 H new ATOM 0 HG21 ILE A 92 13.310 21.054 -12.284 1.00 53.44 H new ATOM 0 HG22 ILE A 92 11.700 20.691 -11.618 1.00 53.44 H new ATOM 0 HG23 ILE A 92 11.983 22.223 -12.478 1.00 53.44 H new ATOM 0 HD11 ILE A 92 15.813 23.527 -11.602 1.00 72.33 H new ATOM 0 HD12 ILE A 92 15.569 21.916 -10.887 1.00 72.33 H new ATOM 0 HD13 ILE A 92 14.809 22.323 -12.444 1.00 72.33 H new ATOM 1344 N GLU A 93 9.490 22.727 -11.046 1.00 55.02 N ATOM 1345 CA GLU A 93 8.519 23.186 -12.033 1.00 33.13 C ATOM 1346 C GLU A 93 7.748 24.397 -11.515 1.00 72.30 C ATOM 1347 O GLU A 93 6.908 24.958 -12.218 1.00 42.21 O ATOM 1348 CB GLU A 93 7.545 22.060 -12.385 1.00 34.55 C ATOM 1349 CG GLU A 93 6.678 21.618 -11.217 1.00 73.14 C ATOM 1350 CD GLU A 93 5.678 20.546 -11.606 1.00 24.41 C ATOM 1351 OE1 GLU A 93 6.075 19.593 -12.310 1.00 0.04 O ATOM 1352 OE2 GLU A 93 4.501 20.659 -11.207 1.00 33.20 O ATOM 0 H GLU A 93 9.192 21.914 -10.507 1.00 55.02 H new ATOM 0 HA GLU A 93 9.063 23.480 -12.931 1.00 33.13 H new ATOM 0 HB2 GLU A 93 6.901 22.390 -13.200 1.00 34.55 H new ATOM 0 HB3 GLU A 93 8.110 21.203 -12.752 1.00 34.55 H new ATOM 0 HG2 GLU A 93 7.316 21.241 -10.418 1.00 73.14 H new ATOM 0 HG3 GLU A 93 6.144 22.481 -10.819 1.00 73.14 H new ATOM 1359 N ALA A 94 8.039 24.793 -10.280 1.00 63.24 N ATOM 1360 CA ALA A 94 7.375 25.937 -9.668 1.00 45.14 C ATOM 1361 C ALA A 94 7.938 27.249 -10.204 1.00 51.32 C ATOM 1362 O ALA A 94 7.215 28.046 -10.803 1.00 43.42 O ATOM 1363 CB ALA A 94 7.514 25.880 -8.154 1.00 44.23 C ATOM 0 H ALA A 94 8.730 24.338 -9.684 1.00 63.24 H new ATOM 0 HA ALA A 94 6.317 25.893 -9.926 1.00 45.14 H new ATOM 0 HB1 ALA A 94 7.013 26.740 -7.710 1.00 44.23 H new ATOM 0 HB2 ALA A 94 7.058 24.963 -7.781 1.00 44.23 H new ATOM 0 HB3 ALA A 94 8.570 25.896 -7.885 1.00 44.23 H new ATOM 1369 N ILE A 95 9.230 27.467 -9.984 1.00 41.34 N ATOM 1370 CA ILE A 95 9.888 28.683 -10.446 1.00 5.00 C ATOM 1371 C ILE A 95 9.634 28.916 -11.931 1.00 54.32 C ATOM 1372 O ILE A 95 9.563 30.058 -12.388 1.00 32.55 O ATOM 1373 CB ILE A 95 11.408 28.629 -10.200 1.00 32.33 C ATOM 1374 CG1 ILE A 95 12.043 27.517 -11.037 1.00 73.40 C ATOM 1375 CG2 ILE A 95 11.697 28.417 -8.721 1.00 44.12 C ATOM 1376 CD1 ILE A 95 12.741 28.020 -12.281 1.00 2.44 C ATOM 0 H ILE A 95 9.842 26.818 -9.489 1.00 41.34 H new ATOM 0 HA ILE A 95 9.464 29.508 -9.873 1.00 5.00 H new ATOM 0 HB ILE A 95 11.845 29.580 -10.503 1.00 32.33 H new ATOM 0 HG12 ILE A 95 12.761 26.975 -10.421 1.00 73.40 H new ATOM 0 HG13 ILE A 95 11.270 26.805 -11.327 1.00 73.40 H new ATOM 0 HG21 ILE A 95 12.775 28.381 -8.562 1.00 44.12 H new ATOM 0 HG22 ILE A 95 11.273 29.240 -8.146 1.00 44.12 H new ATOM 0 HG23 ILE A 95 11.251 27.478 -8.394 1.00 44.12 H new ATOM 0 HD11 ILE A 95 13.167 27.177 -12.825 1.00 2.44 H new ATOM 0 HD12 ILE A 95 12.023 28.537 -12.918 1.00 2.44 H new ATOM 0 HD13 ILE A 95 13.537 28.709 -11.998 1.00 2.44 H new ATOM 1388 N ARG A 96 9.495 27.827 -12.680 1.00 53.33 N ATOM 1389 CA ARG A 96 9.247 27.913 -14.114 1.00 52.14 C ATOM 1390 C ARG A 96 7.987 28.726 -14.401 1.00 23.42 C ATOM 1391 O ARG A 96 7.873 29.365 -15.447 1.00 24.51 O ATOM 1392 CB ARG A 96 9.110 26.513 -14.715 1.00 25.54 C ATOM 1393 CG ARG A 96 8.726 26.515 -16.185 1.00 60.11 C ATOM 1394 CD ARG A 96 9.773 27.220 -17.033 1.00 55.44 C ATOM 1395 NE ARG A 96 9.555 27.006 -18.462 1.00 15.45 N ATOM 1396 CZ ARG A 96 10.408 27.395 -19.402 1.00 4.53 C ATOM 1397 NH1 ARG A 96 11.532 28.015 -19.066 1.00 72.24 N ATOM 1398 NH2 ARG A 96 10.140 27.165 -20.680 1.00 74.35 N ATOM 0 H ARG A 96 9.550 26.875 -12.318 1.00 53.33 H new ATOM 0 HA ARG A 96 10.097 28.417 -14.574 1.00 52.14 H new ATOM 0 HB2 ARG A 96 10.054 25.982 -14.596 1.00 25.54 H new ATOM 0 HB3 ARG A 96 8.359 25.958 -14.153 1.00 25.54 H new ATOM 0 HG2 ARG A 96 8.606 25.489 -16.532 1.00 60.11 H new ATOM 0 HG3 ARG A 96 7.762 27.009 -16.310 1.00 60.11 H new ATOM 0 HD2 ARG A 96 9.753 28.289 -16.819 1.00 55.44 H new ATOM 0 HD3 ARG A 96 10.764 26.859 -16.759 1.00 55.44 H new ATOM 0 HE ARG A 96 8.700 26.532 -18.753 1.00 15.45 H new ATOM 0 HH11 ARG A 96 11.742 28.194 -18.084 1.00 72.24 H new ATOM 0 HH12 ARG A 96 12.186 28.313 -19.790 1.00 72.24 H new ATOM 0 HH21 ARG A 96 9.277 26.688 -20.942 1.00 74.35 H new ATOM 0 HH22 ARG A 96 10.797 27.465 -21.401 1.00 74.35 H new ATOM 1412 N ARG A 97 7.044 28.695 -13.465 1.00 4.53 N ATOM 1413 CA ARG A 97 5.793 29.427 -13.617 1.00 52.42 C ATOM 1414 C ARG A 97 5.902 30.823 -13.010 1.00 53.12 C ATOM 1415 O ARG A 97 5.533 31.815 -13.639 1.00 63.30 O ATOM 1416 CB ARG A 97 4.645 28.661 -12.957 1.00 63.31 C ATOM 1417 CG ARG A 97 4.845 27.154 -12.949 1.00 73.10 C ATOM 1418 CD ARG A 97 5.014 26.607 -14.358 1.00 25.13 C ATOM 1419 NE ARG A 97 3.995 27.118 -15.270 1.00 33.32 N ATOM 1420 CZ ARG A 97 2.740 26.682 -15.287 1.00 52.43 C ATOM 1421 NH1 ARG A 97 2.352 25.734 -14.446 1.00 70.43 N ATOM 1422 NH2 ARG A 97 1.870 27.197 -16.147 1.00 33.20 N ATOM 0 H ARG A 97 7.123 28.171 -12.594 1.00 4.53 H new ATOM 0 HA ARG A 97 5.588 29.528 -14.683 1.00 52.42 H new ATOM 0 HB2 ARG A 97 4.529 29.009 -11.931 1.00 63.31 H new ATOM 0 HB3 ARG A 97 3.717 28.893 -13.479 1.00 63.31 H new ATOM 0 HG2 ARG A 97 5.723 26.906 -12.353 1.00 73.10 H new ATOM 0 HG3 ARG A 97 3.990 26.675 -12.472 1.00 73.10 H new ATOM 0 HD2 ARG A 97 6.002 26.872 -14.734 1.00 25.13 H new ATOM 0 HD3 ARG A 97 4.964 25.518 -14.332 1.00 25.13 H new ATOM 0 HE ARG A 97 4.261 27.849 -15.930 1.00 33.32 H new ATOM 0 HH11 ARG A 97 3.018 25.337 -13.783 1.00 70.43 H new ATOM 0 HH12 ARG A 97 1.388 25.402 -14.462 1.00 70.43 H new ATOM 0 HH21 ARG A 97 2.165 27.928 -16.795 1.00 33.20 H new ATOM 0 HH22 ARG A 97 0.907 26.862 -16.160 1.00 33.20 H new ATOM 1436 N ALA A 98 6.410 30.891 -11.784 1.00 14.50 N ATOM 1437 CA ALA A 98 6.568 32.165 -11.093 1.00 23.12 C ATOM 1438 C ALA A 98 7.391 33.143 -11.925 1.00 61.51 C ATOM 1439 O ALA A 98 7.028 34.310 -12.067 1.00 40.13 O ATOM 1440 CB ALA A 98 7.217 31.950 -9.733 1.00 50.33 C ATOM 0 H ALA A 98 6.719 30.079 -11.249 1.00 14.50 H new ATOM 0 HA ALA A 98 5.578 32.597 -10.947 1.00 23.12 H new ATOM 0 HB1 ALA A 98 7.329 32.909 -9.228 1.00 50.33 H new ATOM 0 HB2 ALA A 98 6.590 31.293 -9.130 1.00 50.33 H new ATOM 0 HB3 ALA A 98 8.198 31.493 -9.866 1.00 50.33 H new ATOM 1446 N SER A 99 8.501 32.658 -12.473 1.00 1.14 N ATOM 1447 CA SER A 99 9.378 33.491 -13.287 1.00 60.14 C ATOM 1448 C SER A 99 8.760 33.752 -14.658 1.00 11.45 C ATOM 1449 O SER A 99 9.212 34.624 -15.398 1.00 41.42 O ATOM 1450 CB SER A 99 10.744 32.822 -13.451 1.00 3.21 C ATOM 1451 OG SER A 99 11.465 33.391 -14.531 1.00 15.03 O ATOM 0 H SER A 99 8.814 31.693 -12.368 1.00 1.14 H new ATOM 0 HA SER A 99 9.507 34.446 -12.777 1.00 60.14 H new ATOM 0 HB2 SER A 99 11.318 32.929 -12.530 1.00 3.21 H new ATOM 0 HB3 SER A 99 10.611 31.754 -13.621 1.00 3.21 H new ATOM 0 HG SER A 99 12.335 32.947 -14.614 1.00 15.03 H new ATOM 1457 N ASN A 100 7.723 32.990 -14.987 1.00 73.52 N ATOM 1458 CA ASN A 100 7.042 33.137 -16.268 1.00 52.43 C ATOM 1459 C ASN A 100 6.305 34.471 -16.342 1.00 42.41 C ATOM 1460 O ASN A 100 6.190 35.071 -17.410 1.00 64.23 O ATOM 1461 CB ASN A 100 6.057 31.986 -16.482 1.00 62.10 C ATOM 1462 CG ASN A 100 5.765 31.740 -17.950 1.00 30.14 C ATOM 1463 OD1 ASN A 100 5.937 32.627 -18.785 1.00 41.25 O ATOM 1464 ND2 ASN A 100 5.320 30.530 -18.269 1.00 50.34 N ATOM 0 H ASN A 100 7.335 32.264 -14.384 1.00 73.52 H new ATOM 0 HA ASN A 100 7.795 33.113 -17.056 1.00 52.43 H new ATOM 0 HB2 ASN A 100 6.463 31.077 -16.038 1.00 62.10 H new ATOM 0 HB3 ASN A 100 5.125 32.207 -15.961 1.00 62.10 H new ATOM 0 HD21 ASN A 100 5.106 30.305 -19.241 1.00 50.34 H new ATOM 0 HD22 ASN A 100 5.193 29.826 -17.542 1.00 50.34 H new ATOM 1471 N GLY A 101 5.808 34.931 -15.198 1.00 32.13 N ATOM 1472 CA GLY A 101 5.089 36.191 -15.154 1.00 61.11 C ATOM 1473 C GLY A 101 3.620 36.010 -14.826 1.00 24.51 C ATOM 1474 O GLY A 101 2.917 36.979 -14.543 1.00 25.14 O ATOM 0 H GLY A 101 5.890 34.453 -14.300 1.00 32.13 H new ATOM 0 HA2 GLY A 101 5.547 36.841 -14.409 1.00 61.11 H new ATOM 0 HA3 GLY A 101 5.184 36.694 -16.117 1.00 61.11 H new ATOM 1478 N GLU A 102 3.156 34.765 -14.866 1.00 30.42 N ATOM 1479 CA GLU A 102 1.760 34.461 -14.572 1.00 62.15 C ATOM 1480 C GLU A 102 1.556 34.230 -13.078 1.00 1.11 C ATOM 1481 O GLU A 102 2.360 33.564 -12.425 1.00 3.44 O ATOM 1482 CB GLU A 102 1.308 33.227 -15.357 1.00 11.34 C ATOM 1483 CG GLU A 102 1.046 33.503 -16.828 1.00 5.43 C ATOM 1484 CD GLU A 102 2.325 33.676 -17.625 1.00 72.00 C ATOM 1485 OE1 GLU A 102 3.385 33.216 -17.152 1.00 20.32 O ATOM 1486 OE2 GLU A 102 2.265 34.271 -18.721 1.00 63.01 O ATOM 0 H GLU A 102 3.725 33.951 -15.099 1.00 30.42 H new ATOM 0 HA GLU A 102 1.157 35.317 -14.875 1.00 62.15 H new ATOM 0 HB2 GLU A 102 2.071 32.453 -15.272 1.00 11.34 H new ATOM 0 HB3 GLU A 102 0.400 32.831 -14.903 1.00 11.34 H new ATOM 0 HG2 GLU A 102 0.467 32.682 -17.251 1.00 5.43 H new ATOM 0 HG3 GLU A 102 0.439 34.403 -16.923 1.00 5.43 H new ATOM 1493 N THR A 103 0.474 34.786 -12.542 1.00 30.15 N ATOM 1494 CA THR A 103 0.164 34.643 -11.125 1.00 11.13 C ATOM 1495 C THR A 103 -0.126 33.189 -10.769 1.00 52.41 C ATOM 1496 O THR A 103 -0.308 32.348 -11.650 1.00 53.35 O ATOM 1497 CB THR A 103 -1.046 35.509 -10.724 1.00 65.22 C ATOM 1498 OG1 THR A 103 -1.390 35.266 -9.356 1.00 34.21 O ATOM 1499 CG2 THR A 103 -2.243 35.211 -11.615 1.00 5.43 C ATOM 0 H THR A 103 -0.202 35.340 -13.068 1.00 30.15 H new ATOM 0 HA THR A 103 1.042 34.981 -10.574 1.00 11.13 H new ATOM 0 HB THR A 103 -0.773 36.557 -10.848 1.00 65.22 H new ATOM 0 HG1 THR A 103 -2.159 35.821 -9.108 1.00 34.21 H new ATOM 0 HG21 THR A 103 -3.085 35.834 -11.313 1.00 5.43 H new ATOM 0 HG22 THR A 103 -1.987 35.425 -12.653 1.00 5.43 H new ATOM 0 HG23 THR A 103 -2.516 34.160 -11.518 1.00 5.43 H new ATOM 1507 N LEU A 104 -0.169 32.899 -9.473 1.00 42.45 N ATOM 1508 CA LEU A 104 -0.438 31.546 -9.001 1.00 30.21 C ATOM 1509 C LEU A 104 -1.440 31.560 -7.851 1.00 72.30 C ATOM 1510 O LEU A 104 -1.343 32.383 -6.941 1.00 75.34 O ATOM 1511 CB LEU A 104 0.861 30.873 -8.552 1.00 54.24 C ATOM 1512 CG LEU A 104 2.100 31.178 -9.395 1.00 72.50 C ATOM 1513 CD1 LEU A 104 3.349 30.627 -8.725 1.00 2.41 C ATOM 1514 CD2 LEU A 104 1.947 30.603 -10.796 1.00 34.23 C ATOM 0 H LEU A 104 -0.021 33.583 -8.731 1.00 42.45 H new ATOM 0 HA LEU A 104 -0.867 30.979 -9.827 1.00 30.21 H new ATOM 0 HB2 LEU A 104 1.064 31.170 -7.523 1.00 54.24 H new ATOM 0 HB3 LEU A 104 0.705 29.794 -8.548 1.00 54.24 H new ATOM 0 HG LEU A 104 2.203 32.260 -9.477 1.00 72.50 H new ATOM 0 HD11 LEU A 104 4.221 30.853 -9.339 1.00 2.41 H new ATOM 0 HD12 LEU A 104 3.468 31.085 -7.743 1.00 2.41 H new ATOM 0 HD13 LEU A 104 3.255 29.547 -8.612 1.00 2.41 H new ATOM 0 HD21 LEU A 104 2.838 30.830 -11.382 1.00 34.23 H new ATOM 0 HD22 LEU A 104 1.819 29.522 -10.734 1.00 34.23 H new ATOM 0 HD23 LEU A 104 1.074 31.045 -11.277 1.00 34.23 H new ATOM 1526 N GLU A 105 -2.400 30.642 -7.898 1.00 75.45 N ATOM 1527 CA GLU A 105 -3.419 30.548 -6.859 1.00 53.44 C ATOM 1528 C GLU A 105 -3.580 29.108 -6.383 1.00 22.35 C ATOM 1529 O GLU A 105 -3.567 28.172 -7.182 1.00 71.41 O ATOM 1530 CB GLU A 105 -4.758 31.078 -7.378 1.00 30.32 C ATOM 1531 CG GLU A 105 -5.399 30.187 -8.428 1.00 71.25 C ATOM 1532 CD GLU A 105 -6.647 30.802 -9.032 1.00 61.41 C ATOM 1533 OE1 GLU A 105 -7.471 31.345 -8.267 1.00 41.04 O ATOM 1534 OE2 GLU A 105 -6.799 30.739 -10.270 1.00 42.22 O ATOM 0 H GLU A 105 -2.494 29.953 -8.644 1.00 75.45 H new ATOM 0 HA GLU A 105 -3.097 31.157 -6.014 1.00 53.44 H new ATOM 0 HB2 GLU A 105 -5.445 31.189 -6.539 1.00 30.32 H new ATOM 0 HB3 GLU A 105 -4.607 32.072 -7.800 1.00 30.32 H new ATOM 0 HG2 GLU A 105 -4.677 29.988 -9.220 1.00 71.25 H new ATOM 0 HG3 GLU A 105 -5.653 29.227 -7.979 1.00 71.25 H new ATOM 1541 N LYS A 106 -3.730 28.937 -5.073 1.00 52.44 N ATOM 1542 CA LYS A 106 -3.894 27.612 -4.488 1.00 0.35 C ATOM 1543 C LYS A 106 -4.560 27.701 -3.118 1.00 5.41 C ATOM 1544 O LYS A 106 -4.090 28.421 -2.235 1.00 74.34 O ATOM 1545 CB LYS A 106 -2.537 26.916 -4.363 1.00 1.15 C ATOM 1546 CG LYS A 106 -2.638 25.453 -3.967 1.00 0.22 C ATOM 1547 CD LYS A 106 -3.172 24.603 -5.107 1.00 62.42 C ATOM 1548 CE LYS A 106 -2.071 24.235 -6.091 1.00 55.40 C ATOM 1549 NZ LYS A 106 -1.937 25.247 -7.176 1.00 75.50 N ATOM 0 H LYS A 106 -3.741 29.700 -4.397 1.00 52.44 H new ATOM 0 HA LYS A 106 -4.536 27.028 -5.147 1.00 0.35 H new ATOM 0 HB2 LYS A 106 -2.011 26.991 -5.315 1.00 1.15 H new ATOM 0 HB3 LYS A 106 -1.934 27.443 -3.623 1.00 1.15 H new ATOM 0 HG2 LYS A 106 -1.656 25.087 -3.668 1.00 0.22 H new ATOM 0 HG3 LYS A 106 -3.292 25.354 -3.101 1.00 0.22 H new ATOM 0 HD2 LYS A 106 -3.621 23.695 -4.706 1.00 62.42 H new ATOM 0 HD3 LYS A 106 -3.961 25.145 -5.628 1.00 62.42 H new ATOM 0 HE2 LYS A 106 -1.124 24.145 -5.559 1.00 55.40 H new ATOM 0 HE3 LYS A 106 -2.285 23.260 -6.528 1.00 55.40 H new ATOM 0 HZ1 LYS A 106 -2.020 24.778 -8.100 1.00 75.50 H new ATOM 0 HZ2 LYS A 106 -2.688 25.960 -7.081 1.00 75.50 H new ATOM 0 HZ3 LYS A 106 -1.009 25.711 -7.105 1.00 75.50 H new ATOM 1563 N ILE A 107 -5.653 26.966 -2.948 1.00 22.15 N ATOM 1564 CA ILE A 107 -6.380 26.961 -1.684 1.00 72.44 C ATOM 1565 C ILE A 107 -5.649 26.133 -0.632 1.00 51.45 C ATOM 1566 O ILE A 107 -5.310 24.972 -0.864 1.00 55.20 O ATOM 1567 CB ILE A 107 -7.806 26.405 -1.858 1.00 51.21 C ATOM 1568 CG1 ILE A 107 -8.578 27.235 -2.886 1.00 72.43 C ATOM 1569 CG2 ILE A 107 -8.536 26.393 -0.523 1.00 51.14 C ATOM 1570 CD1 ILE A 107 -8.514 26.671 -4.288 1.00 70.25 C ATOM 0 H ILE A 107 -6.055 26.366 -3.669 1.00 22.15 H new ATOM 0 HA ILE A 107 -6.440 27.997 -1.350 1.00 72.44 H new ATOM 0 HB ILE A 107 -7.739 25.380 -2.223 1.00 51.21 H new ATOM 0 HG12 ILE A 107 -9.621 27.302 -2.577 1.00 72.43 H new ATOM 0 HG13 ILE A 107 -8.182 28.250 -2.893 1.00 72.43 H new ATOM 0 HG21 ILE A 107 -9.542 25.998 -0.662 1.00 51.14 H new ATOM 0 HG22 ILE A 107 -7.993 25.764 0.183 1.00 51.14 H new ATOM 0 HG23 ILE A 107 -8.596 27.409 -0.132 1.00 51.14 H new ATOM 0 HD11 ILE A 107 -9.083 27.310 -4.964 1.00 70.25 H new ATOM 0 HD12 ILE A 107 -7.475 26.629 -4.616 1.00 70.25 H new ATOM 0 HD13 ILE A 107 -8.937 25.667 -4.296 1.00 70.25 H new ATOM 1582 N THR A 108 -5.409 26.738 0.527 1.00 54.41 N ATOM 1583 CA THR A 108 -4.719 26.058 1.616 1.00 53.34 C ATOM 1584 C THR A 108 -5.373 24.717 1.928 1.00 63.12 C ATOM 1585 O THR A 108 -4.702 23.769 2.334 1.00 10.00 O ATOM 1586 CB THR A 108 -4.702 26.918 2.894 1.00 71.13 C ATOM 1587 OG1 THR A 108 -3.885 26.296 3.891 1.00 4.03 O ATOM 1588 CG2 THR A 108 -6.111 27.112 3.434 1.00 3.50 C ATOM 0 H THR A 108 -5.683 27.698 0.736 1.00 54.41 H new ATOM 0 HA THR A 108 -3.694 25.891 1.286 1.00 53.34 H new ATOM 0 HB THR A 108 -4.288 27.895 2.643 1.00 71.13 H new ATOM 0 HG1 THR A 108 -3.878 26.849 4.700 1.00 4.03 H new ATOM 0 HG21 THR A 108 -6.074 27.722 4.336 1.00 3.50 H new ATOM 0 HG22 THR A 108 -6.723 27.612 2.683 1.00 3.50 H new ATOM 0 HG23 THR A 108 -6.547 26.141 3.670 1.00 3.50 H new ATOM 1596 N ASN A 109 -6.686 24.644 1.735 1.00 43.23 N ATOM 1597 CA ASN A 109 -7.430 23.417 1.996 1.00 41.51 C ATOM 1598 C ASN A 109 -7.143 22.896 3.401 1.00 52.03 C ATOM 1599 O ASN A 109 -6.903 21.704 3.595 1.00 54.33 O ATOM 1600 CB ASN A 109 -7.072 22.349 0.960 1.00 15.25 C ATOM 1601 CG ASN A 109 -8.116 21.252 0.878 1.00 52.23 C ATOM 1602 OD1 ASN A 109 -8.008 20.225 1.548 1.00 41.21 O ATOM 1603 ND2 ASN A 109 -9.134 21.466 0.052 1.00 34.53 N ATOM 0 H ASN A 109 -7.257 25.420 1.399 1.00 43.23 H new ATOM 0 HA ASN A 109 -8.494 23.643 1.922 1.00 41.51 H new ATOM 0 HB2 ASN A 109 -6.963 22.817 -0.018 1.00 15.25 H new ATOM 0 HB3 ASN A 109 -6.107 21.910 1.213 1.00 15.25 H new ATOM 0 HD21 ASN A 109 -9.867 20.764 -0.046 1.00 34.53 H new ATOM 0 HD22 ASN A 109 -9.182 22.333 -0.484 1.00 34.53 H new ATOM 1610 N SER A 110 -7.170 23.797 4.378 1.00 54.15 N ATOM 1611 CA SER A 110 -6.910 23.429 5.764 1.00 15.14 C ATOM 1612 C SER A 110 -7.856 22.322 6.219 1.00 35.11 C ATOM 1613 O SER A 110 -8.748 21.909 5.478 1.00 71.24 O ATOM 1614 CB SER A 110 -7.061 24.650 6.675 1.00 65.53 C ATOM 1615 OG SER A 110 -6.246 24.529 7.828 1.00 34.53 O ATOM 0 H SER A 110 -7.369 24.787 4.235 1.00 54.15 H new ATOM 0 HA SER A 110 -5.887 23.059 5.830 1.00 15.14 H new ATOM 0 HB2 SER A 110 -6.790 25.552 6.127 1.00 65.53 H new ATOM 0 HB3 SER A 110 -8.104 24.759 6.973 1.00 65.53 H new ATOM 0 HG SER A 110 -6.359 25.322 8.393 1.00 34.53 H new ATOM 1621 N ARG A 111 -7.655 21.846 7.443 1.00 22.25 N ATOM 1622 CA ARG A 111 -8.488 20.786 7.998 1.00 71.32 C ATOM 1623 C ARG A 111 -8.280 20.662 9.504 1.00 0.24 C ATOM 1624 O ARG A 111 -7.280 21.121 10.057 1.00 20.43 O ATOM 1625 CB ARG A 111 -8.173 19.452 7.318 1.00 54.13 C ATOM 1626 CG ARG A 111 -6.755 19.363 6.780 1.00 64.32 C ATOM 1627 CD ARG A 111 -5.727 19.506 7.892 1.00 72.33 C ATOM 1628 NE ARG A 111 -5.836 18.435 8.879 1.00 70.45 N ATOM 1629 CZ ARG A 111 -4.851 18.090 9.701 1.00 52.02 C ATOM 1630 NH1 ARG A 111 -3.691 18.729 9.655 1.00 44.31 N ATOM 1631 NH2 ARG A 111 -5.027 17.104 10.572 1.00 43.43 N ATOM 0 H ARG A 111 -6.922 22.178 8.070 1.00 22.25 H new ATOM 0 HA ARG A 111 -9.531 21.044 7.813 1.00 71.32 H new ATOM 0 HB2 ARG A 111 -8.333 18.643 8.031 1.00 54.13 H new ATOM 0 HB3 ARG A 111 -8.874 19.297 6.498 1.00 54.13 H new ATOM 0 HG2 ARG A 111 -6.616 18.407 6.275 1.00 64.32 H new ATOM 0 HG3 ARG A 111 -6.598 20.143 6.035 1.00 64.32 H new ATOM 0 HD2 ARG A 111 -4.725 19.502 7.462 1.00 72.33 H new ATOM 0 HD3 ARG A 111 -5.859 20.469 8.386 1.00 72.33 H new ATOM 0 HE ARG A 111 -6.717 17.924 8.941 1.00 70.45 H new ATOM 0 HH11 ARG A 111 -3.553 19.488 8.987 1.00 44.31 H new ATOM 0 HH12 ARG A 111 -2.936 18.462 10.287 1.00 44.31 H new ATOM 0 HH21 ARG A 111 -5.919 16.611 10.610 1.00 43.43 H new ATOM 0 HH22 ARG A 111 -4.270 16.840 11.203 1.00 43.43 H new ATOM 1645 N PRO A 112 -9.246 20.029 10.186 1.00 73.34 N ATOM 1646 CA PRO A 112 -9.192 19.830 11.637 1.00 42.20 C ATOM 1647 C PRO A 112 -8.114 18.832 12.045 1.00 21.15 C ATOM 1648 O PRO A 112 -7.550 18.117 11.217 1.00 42.11 O ATOM 1649 CB PRO A 112 -10.582 19.284 11.973 1.00 64.34 C ATOM 1650 CG PRO A 112 -11.051 18.643 10.712 1.00 14.32 C ATOM 1651 CD PRO A 112 -10.466 19.457 9.591 1.00 32.03 C ATOM 0 HA PRO A 112 -8.942 20.750 12.165 1.00 42.20 H new ATOM 0 HB2 PRO A 112 -10.538 18.564 12.791 1.00 64.34 H new ATOM 0 HB3 PRO A 112 -11.256 20.081 12.286 1.00 64.34 H new ATOM 0 HG2 PRO A 112 -10.720 17.606 10.655 1.00 14.32 H new ATOM 0 HG3 PRO A 112 -12.140 18.634 10.661 1.00 14.32 H new ATOM 0 HD2 PRO A 112 -10.238 18.839 8.722 1.00 32.03 H new ATOM 0 HD3 PRO A 112 -11.153 20.235 9.258 1.00 32.03 H new ATOM 1659 N PRO A 113 -7.820 18.780 13.353 1.00 24.40 N ATOM 1660 CA PRO A 113 -6.808 17.871 13.901 1.00 41.30 C ATOM 1661 C PRO A 113 -7.246 16.412 13.841 1.00 64.11 C ATOM 1662 O PRO A 113 -8.301 16.049 14.361 1.00 31.34 O ATOM 1663 CB PRO A 113 -6.671 18.329 15.355 1.00 4.02 C ATOM 1664 CG PRO A 113 -7.977 18.969 15.676 1.00 40.43 C ATOM 1665 CD PRO A 113 -8.452 19.603 14.397 1.00 34.33 C ATOM 0 HA PRO A 113 -5.876 17.911 13.337 1.00 41.30 H new ATOM 0 HB2 PRO A 113 -6.469 17.487 16.018 1.00 4.02 H new ATOM 0 HB3 PRO A 113 -5.846 19.032 15.472 1.00 4.02 H new ATOM 0 HG2 PRO A 113 -8.695 18.232 16.037 1.00 40.43 H new ATOM 0 HG3 PRO A 113 -7.863 19.715 16.463 1.00 40.43 H new ATOM 0 HD2 PRO A 113 -9.539 19.585 14.319 1.00 34.33 H new ATOM 0 HD3 PRO A 113 -8.144 20.646 14.327 1.00 34.33 H new ATOM 1673 N CYS A 114 -6.429 15.580 13.204 1.00 20.01 N ATOM 1674 CA CYS A 114 -6.733 14.159 13.076 1.00 4.11 C ATOM 1675 C CYS A 114 -5.460 13.349 12.853 1.00 3.00 C ATOM 1676 O CYS A 114 -4.901 13.340 11.756 1.00 2.52 O ATOM 1677 CB CYS A 114 -7.708 13.927 11.921 1.00 33.25 C ATOM 1678 SG CYS A 114 -8.356 12.241 11.830 1.00 14.34 S ATOM 0 H CYS A 114 -5.552 15.865 12.768 1.00 20.01 H new ATOM 0 HA CYS A 114 -7.196 13.826 14.005 1.00 4.11 H new ATOM 0 HB2 CYS A 114 -8.543 14.621 12.019 1.00 33.25 H new ATOM 0 HB3 CYS A 114 -7.206 14.163 10.983 1.00 33.25 H new ATOM 0 HG CYS A 114 -9.173 12.144 10.823 1.00 14.34 H new ATOM 1684 N VAL A 115 -5.005 12.670 13.902 1.00 72.15 N ATOM 1685 CA VAL A 115 -3.798 11.857 13.821 1.00 64.02 C ATOM 1686 C VAL A 115 -4.111 10.383 14.051 1.00 30.15 C ATOM 1687 O VAL A 115 -5.246 10.021 14.361 1.00 33.53 O ATOM 1688 CB VAL A 115 -2.744 12.313 14.848 1.00 51.35 C ATOM 1689 CG1 VAL A 115 -2.375 13.772 14.622 1.00 35.23 C ATOM 1690 CG2 VAL A 115 -3.253 12.096 16.265 1.00 42.14 C ATOM 0 H VAL A 115 -5.455 12.667 14.818 1.00 72.15 H new ATOM 0 HA VAL A 115 -3.396 11.987 12.816 1.00 64.02 H new ATOM 0 HB VAL A 115 -1.845 11.711 14.713 1.00 51.35 H new ATOM 0 HG11 VAL A 115 -1.629 14.077 15.356 1.00 35.23 H new ATOM 0 HG12 VAL A 115 -1.966 13.893 13.619 1.00 35.23 H new ATOM 0 HG13 VAL A 115 -3.264 14.393 14.729 1.00 35.23 H new ATOM 0 HG21 VAL A 115 -2.496 12.423 16.978 1.00 42.14 H new ATOM 0 HG22 VAL A 115 -4.166 12.672 16.416 1.00 42.14 H new ATOM 0 HG23 VAL A 115 -3.462 11.037 16.418 1.00 42.14 H new ATOM 1700 N ILE A 116 -3.097 9.537 13.899 1.00 55.41 N ATOM 1701 CA ILE A 116 -3.265 8.102 14.092 1.00 3.43 C ATOM 1702 C ILE A 116 -2.506 7.622 15.324 1.00 24.43 C ATOM 1703 O ILE A 116 -1.276 7.679 15.371 1.00 10.12 O ATOM 1704 CB ILE A 116 -2.782 7.309 12.864 1.00 72.33 C ATOM 1705 CG1 ILE A 116 -3.549 7.745 11.614 1.00 54.21 C ATOM 1706 CG2 ILE A 116 -2.949 5.815 13.099 1.00 23.04 C ATOM 1707 CD1 ILE A 116 -5.045 7.547 11.723 1.00 31.10 C ATOM 0 H ILE A 116 -2.151 9.821 13.643 1.00 55.41 H new ATOM 0 HA ILE A 116 -4.331 7.924 14.232 1.00 3.43 H new ATOM 0 HB ILE A 116 -1.723 7.517 12.709 1.00 72.33 H new ATOM 0 HG12 ILE A 116 -3.343 8.798 11.420 1.00 54.21 H new ATOM 0 HG13 ILE A 116 -3.178 7.184 10.756 1.00 54.21 H new ATOM 0 HG21 ILE A 116 -2.603 5.268 12.222 1.00 23.04 H new ATOM 0 HG22 ILE A 116 -2.363 5.516 13.968 1.00 23.04 H new ATOM 0 HG23 ILE A 116 -4.001 5.590 13.276 1.00 23.04 H new ATOM 0 HD11 ILE A 116 -5.524 7.877 10.801 1.00 31.10 H new ATOM 0 HD12 ILE A 116 -5.261 6.491 11.886 1.00 31.10 H new ATOM 0 HD13 ILE A 116 -5.429 8.130 12.560 1.00 31.10 H new ATOM 1719 N LEU A 117 -3.245 7.146 16.320 1.00 74.23 N ATOM 1720 CA LEU A 117 -2.642 6.652 17.553 1.00 53.10 C ATOM 1721 C LEU A 117 -2.998 5.187 17.785 1.00 42.05 C ATOM 1722 O LEU A 117 -4.159 4.848 18.009 1.00 34.42 O ATOM 1723 CB LEU A 117 -3.104 7.495 18.743 1.00 55.12 C ATOM 1724 CG LEU A 117 -2.537 8.913 18.822 1.00 73.14 C ATOM 1725 CD1 LEU A 117 -3.343 9.757 19.796 1.00 35.05 C ATOM 1726 CD2 LEU A 117 -1.071 8.879 19.228 1.00 33.04 C ATOM 0 H LEU A 117 -4.263 7.092 16.298 1.00 74.23 H new ATOM 0 HA LEU A 117 -1.559 6.733 17.456 1.00 53.10 H new ATOM 0 HB2 LEU A 117 -4.192 7.561 18.715 1.00 55.12 H new ATOM 0 HB3 LEU A 117 -2.840 6.968 19.660 1.00 55.12 H new ATOM 0 HG LEU A 117 -2.609 9.368 17.834 1.00 73.14 H new ATOM 0 HD11 LEU A 117 -2.925 10.763 19.839 1.00 35.05 H new ATOM 0 HD12 LEU A 117 -4.379 9.809 19.461 1.00 35.05 H new ATOM 0 HD13 LEU A 117 -3.304 9.305 20.787 1.00 35.05 H new ATOM 0 HD21 LEU A 117 -0.684 9.897 19.279 1.00 33.04 H new ATOM 0 HD22 LEU A 117 -0.975 8.405 20.205 1.00 33.04 H new ATOM 0 HD23 LEU A 117 -0.503 8.311 18.491 1.00 33.04 H new TER 1738 LEU A 117