USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 565 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 Set 1.1: A 61 ASN : amide:sc= 0.128 X(o=0.4,f=0.16) USER MOD Set 1.2: A 63 SER OG : rot 180:sc= 0.277 USER MOD Single : A 4 SER OG : rot 25:sc= 0.113 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.0745 F(o=-1.4!,f=-0.075) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= -1.27 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0999 USER MOD Single : A 27 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 179:sc= 1.03 (180deg=1.03) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot -55:sc= -1.21! USER MOD Single : A 42 TYR OH : rot 60:sc= 0.561 USER MOD Single : A 54 LYS NZ :NH3+ -154:sc= 1.23 (180deg=0.806) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.281 USER MOD Single : A 67 MET CE :methyl -165:sc= 0 (180deg=-0.318) USER MOD Single : A 69 THR OG1 : rot -130:sc= 0.374 USER MOD Single : A 71 SER OG : rot 170:sc= 0.0311 USER MOD ----------------------------------------------------------------- ATOM 38 N SER A 4 8.280 -6.061 1.024 1.00 71.02 N ATOM 39 CA SER A 4 8.031 -6.844 2.214 1.00 42.34 C ATOM 40 C SER A 4 9.338 -7.055 2.962 1.00 25.41 C ATOM 41 O SER A 4 10.144 -7.914 2.599 1.00 72.11 O ATOM 42 CB SER A 4 7.398 -8.187 1.848 1.00 74.12 C ATOM 43 OG SER A 4 6.229 -7.999 1.062 1.00 34.13 O ATOM 0 HA SER A 4 7.334 -6.307 2.858 1.00 42.34 H new ATOM 0 HB2 SER A 4 8.117 -8.795 1.298 1.00 74.12 H new ATOM 0 HB3 SER A 4 7.146 -8.735 2.756 1.00 74.12 H new ATOM 0 HG SER A 4 6.282 -7.137 0.598 1.00 34.13 H new ATOM 49 N GLU A 5 9.556 -6.243 3.983 1.00 73.11 N ATOM 50 CA GLU A 5 10.763 -6.337 4.782 1.00 2.22 C ATOM 51 C GLU A 5 10.556 -7.313 5.923 1.00 63.11 C ATOM 52 O GLU A 5 9.730 -7.086 6.809 1.00 33.12 O ATOM 53 CB GLU A 5 11.175 -4.969 5.331 1.00 74.03 C ATOM 54 CG GLU A 5 11.770 -4.029 4.293 1.00 3.23 C ATOM 55 CD GLU A 5 10.782 -3.615 3.224 1.00 61.35 C ATOM 56 OE1 GLU A 5 9.889 -2.795 3.527 1.00 21.51 O ATOM 57 OE2 GLU A 5 10.900 -4.096 2.079 1.00 22.25 O1- ATOM 0 H GLU A 5 8.910 -5.510 4.277 1.00 73.11 H new ATOM 0 HA GLU A 5 11.566 -6.698 4.139 1.00 2.22 H new ATOM 0 HB2 GLU A 5 10.302 -4.492 5.777 1.00 74.03 H new ATOM 0 HB3 GLU A 5 11.902 -5.115 6.130 1.00 74.03 H new ATOM 0 HG2 GLU A 5 12.147 -3.138 4.794 1.00 3.23 H new ATOM 0 HG3 GLU A 5 12.624 -4.514 3.820 1.00 3.23 H new ATOM 64 N GLY A 6 11.293 -8.403 5.878 1.00 13.15 N ATOM 65 CA GLY A 6 11.197 -9.408 6.905 1.00 42.42 C ATOM 66 C GLY A 6 12.517 -10.105 7.119 1.00 52.24 C ATOM 67 O GLY A 6 13.511 -9.795 6.452 1.00 3.43 O ATOM 0 H GLY A 6 11.964 -8.612 5.139 1.00 13.15 H new ATOM 0 HA2 GLY A 6 10.872 -8.947 7.838 1.00 42.42 H new ATOM 0 HA3 GLY A 6 10.438 -10.140 6.630 1.00 42.42 H new ATOM 71 N CYS A 7 12.531 -11.045 8.037 1.00 10.20 N ATOM 72 CA CYS A 7 13.737 -11.778 8.357 1.00 70.11 C ATOM 73 C CYS A 7 13.754 -13.109 7.615 1.00 4.44 C ATOM 74 O CYS A 7 12.738 -13.796 7.538 1.00 72.14 O ATOM 75 CB CYS A 7 13.810 -12.000 9.864 1.00 4.33 C ATOM 76 SG CYS A 7 13.510 -10.492 10.844 1.00 21.12 S ATOM 0 H CYS A 7 11.713 -11.322 8.580 1.00 10.20 H new ATOM 0 HA CYS A 7 14.607 -11.202 8.042 1.00 70.11 H new ATOM 0 HB2 CYS A 7 13.079 -12.757 10.146 1.00 4.33 H new ATOM 0 HB3 CYS A 7 14.793 -12.397 10.116 1.00 4.33 H new ATOM 81 N GLN A 8 14.901 -13.455 7.049 1.00 15.12 N ATOM 82 CA GLN A 8 15.044 -14.701 6.305 1.00 64.14 C ATOM 83 C GLN A 8 15.067 -15.908 7.237 1.00 64.22 C ATOM 84 O GLN A 8 15.044 -15.770 8.464 1.00 1.10 O ATOM 85 CB GLN A 8 16.327 -14.688 5.470 1.00 50.41 C ATOM 86 CG GLN A 8 17.585 -14.459 6.299 1.00 43.35 C ATOM 87 CD GLN A 8 18.861 -14.885 5.593 1.00 51.10 C ATOM 88 OE1 GLN A 8 18.796 -15.966 4.828 1.00 41.23 O flip ATOM 89 NE2 GLN A 8 19.911 -14.268 5.768 1.00 23.50 N flip ATOM 0 H GLN A 8 15.749 -12.890 7.090 1.00 15.12 H new ATOM 0 HA GLN A 8 14.180 -14.783 5.646 1.00 64.14 H new ATOM 0 HB2 GLN A 8 16.417 -15.637 4.941 1.00 50.41 H new ATOM 0 HB3 GLN A 8 16.252 -13.907 4.714 1.00 50.41 H new ATOM 0 HG2 GLN A 8 17.656 -13.401 6.553 1.00 43.35 H new ATOM 0 HG3 GLN A 8 17.497 -15.007 7.237 1.00 43.35 H new ATOM 0 HE21 GLN A 8 19.923 -13.440 6.364 1.00 23.50 H new ATOM 0 HE22 GLN A 8 20.770 -14.584 5.317 1.00 23.50 H new ATOM 98 N ILE A 9 15.144 -17.092 6.644 1.00 54.54 N ATOM 99 CA ILE A 9 15.235 -18.322 7.406 1.00 64.42 C ATOM 100 C ILE A 9 16.693 -18.647 7.707 1.00 73.43 C ATOM 101 O ILE A 9 17.497 -18.869 6.797 1.00 71.43 O ATOM 102 CB ILE A 9 14.587 -19.511 6.656 1.00 54.42 C ATOM 103 CG1 ILE A 9 13.072 -19.317 6.551 1.00 1.03 C ATOM 104 CG2 ILE A 9 14.913 -20.828 7.347 1.00 60.45 C ATOM 105 CD1 ILE A 9 12.354 -20.465 5.870 1.00 23.41 C ATOM 0 H ILE A 9 15.145 -17.223 5.632 1.00 54.54 H new ATOM 0 HA ILE A 9 14.690 -18.170 8.338 1.00 64.42 H new ATOM 0 HB ILE A 9 15.001 -19.546 5.648 1.00 54.42 H new ATOM 0 HG12 ILE A 9 12.662 -19.187 7.552 1.00 1.03 H new ATOM 0 HG13 ILE A 9 12.870 -18.397 6.002 1.00 1.03 H new ATOM 0 HG21 ILE A 9 14.447 -21.650 6.803 1.00 60.45 H new ATOM 0 HG22 ILE A 9 15.993 -20.971 7.366 1.00 60.45 H new ATOM 0 HG23 ILE A 9 14.532 -20.807 8.368 1.00 60.45 H new ATOM 0 HD11 ILE A 9 11.285 -20.255 5.833 1.00 23.41 H new ATOM 0 HD12 ILE A 9 12.736 -20.583 4.856 1.00 23.41 H new ATOM 0 HD13 ILE A 9 12.524 -21.384 6.431 1.00 23.41 H new ATOM 117 N ILE A 10 17.021 -18.647 8.987 1.00 1.44 N ATOM 118 CA ILE A 10 18.365 -18.960 9.443 1.00 53.14 C ATOM 119 C ILE A 10 18.657 -20.440 9.218 1.00 15.30 C ATOM 120 O ILE A 10 17.776 -21.283 9.397 1.00 44.43 O ATOM 121 CB ILE A 10 18.520 -18.640 10.947 1.00 44.30 C ATOM 122 CG1 ILE A 10 18.031 -17.223 11.241 1.00 13.24 C ATOM 123 CG2 ILE A 10 19.970 -18.800 11.386 1.00 25.05 C ATOM 124 CD1 ILE A 10 17.947 -16.903 12.718 1.00 42.33 C ATOM 0 H ILE A 10 16.366 -18.431 9.738 1.00 1.44 H new ATOM 0 HA ILE A 10 19.068 -18.351 8.874 1.00 53.14 H new ATOM 0 HB ILE A 10 17.911 -19.346 11.512 1.00 44.30 H new ATOM 0 HG12 ILE A 10 18.701 -16.510 10.761 1.00 13.24 H new ATOM 0 HG13 ILE A 10 17.047 -17.087 10.792 1.00 13.24 H new ATOM 0 HG21 ILE A 10 20.056 -18.570 12.448 1.00 25.05 H new ATOM 0 HG22 ILE A 10 20.292 -19.826 11.210 1.00 25.05 H new ATOM 0 HG23 ILE A 10 20.600 -18.119 10.815 1.00 25.05 H new ATOM 0 HD11 ILE A 10 17.593 -15.881 12.849 1.00 42.33 H new ATOM 0 HD12 ILE A 10 17.254 -17.592 13.201 1.00 42.33 H new ATOM 0 HD13 ILE A 10 18.934 -17.006 13.169 1.00 42.33 H new ATOM 136 N HIS A 11 19.876 -20.751 8.807 1.00 11.24 N ATOM 137 CA HIS A 11 20.288 -22.138 8.654 1.00 24.14 C ATOM 138 C HIS A 11 20.500 -22.758 10.024 1.00 73.03 C ATOM 139 O HIS A 11 21.064 -22.115 10.910 1.00 11.43 O ATOM 140 CB HIS A 11 21.578 -22.251 7.837 1.00 24.23 C ATOM 141 CG HIS A 11 21.397 -22.043 6.365 1.00 51.10 C ATOM 142 ND1 HIS A 11 22.336 -22.432 5.436 1.00 34.40 N ATOM 143 CD2 HIS A 11 20.384 -21.486 5.659 1.00 73.31 C ATOM 144 CE1 HIS A 11 21.911 -22.122 4.226 1.00 41.44 C ATOM 145 NE2 HIS A 11 20.730 -21.547 4.335 1.00 32.35 N ATOM 0 H HIS A 11 20.595 -20.066 8.574 1.00 11.24 H new ATOM 0 HA HIS A 11 19.500 -22.669 8.120 1.00 24.14 H new ATOM 0 HB2 HIS A 11 22.295 -21.520 8.210 1.00 24.23 H new ATOM 0 HB3 HIS A 11 22.013 -23.237 8.002 1.00 24.23 H new ATOM 0 HD2 HIS A 11 19.473 -21.071 6.065 1.00 73.31 H new ATOM 0 HE1 HIS A 11 22.441 -22.308 3.303 1.00 41.44 H new ATOM 0 HE2 HIS A 11 20.165 -21.203 3.559 1.00 32.35 H new ATOM 154 N PRO A 12 20.035 -24.000 10.222 1.00 62.10 N ATOM 155 CA PRO A 12 20.190 -24.705 11.495 1.00 31.33 C ATOM 156 C PRO A 12 21.654 -24.814 11.900 1.00 62.52 C ATOM 157 O PRO A 12 22.460 -25.420 11.192 1.00 11.24 O ATOM 158 CB PRO A 12 19.601 -26.093 11.221 1.00 52.40 C ATOM 159 CG PRO A 12 18.705 -25.907 10.048 1.00 51.45 C ATOM 160 CD PRO A 12 19.326 -24.814 9.224 1.00 4.22 C ATOM 0 HA PRO A 12 19.696 -24.185 12.316 1.00 31.33 H new ATOM 0 HB2 PRO A 12 20.385 -26.819 11.007 1.00 52.40 H new ATOM 0 HB3 PRO A 12 19.049 -26.465 12.084 1.00 52.40 H new ATOM 0 HG2 PRO A 12 18.619 -26.829 9.473 1.00 51.45 H new ATOM 0 HG3 PRO A 12 17.699 -25.633 10.365 1.00 51.45 H new ATOM 0 HD2 PRO A 12 20.008 -25.214 8.473 1.00 4.22 H new ATOM 0 HD3 PRO A 12 18.572 -24.233 8.693 1.00 4.22 H new ATOM 168 N PRO A 13 22.018 -24.209 13.035 1.00 72.42 N ATOM 169 CA PRO A 13 23.394 -24.209 13.526 1.00 11.03 C ATOM 170 C PRO A 13 23.757 -25.533 14.190 1.00 21.12 C ATOM 171 O PRO A 13 23.291 -26.598 13.772 1.00 10.42 O ATOM 172 CB PRO A 13 23.388 -23.070 14.546 1.00 63.12 C ATOM 173 CG PRO A 13 21.996 -23.043 15.073 1.00 12.24 C ATOM 174 CD PRO A 13 21.107 -23.477 13.936 1.00 11.22 C ATOM 0 HA PRO A 13 24.128 -24.081 12.731 1.00 11.03 H new ATOM 0 HB2 PRO A 13 24.110 -23.248 15.343 1.00 63.12 H new ATOM 0 HB3 PRO A 13 23.654 -22.121 14.081 1.00 63.12 H new ATOM 0 HG2 PRO A 13 21.890 -23.712 15.927 1.00 12.24 H new ATOM 0 HG3 PRO A 13 21.729 -22.043 15.416 1.00 12.24 H new ATOM 0 HD2 PRO A 13 20.293 -24.113 14.285 1.00 11.22 H new ATOM 0 HD3 PRO A 13 20.651 -22.622 13.436 1.00 11.22 H new ATOM 182 N TRP A 14 24.598 -25.464 15.214 1.00 13.53 N ATOM 183 CA TRP A 14 24.978 -26.651 15.964 1.00 55.11 C ATOM 184 C TRP A 14 23.728 -27.339 16.509 1.00 13.40 C ATOM 185 O TRP A 14 22.737 -26.670 16.810 1.00 31.14 O ATOM 186 CB TRP A 14 25.927 -26.275 17.105 1.00 53.25 C ATOM 187 CG TRP A 14 26.535 -27.462 17.791 1.00 30.52 C ATOM 188 CD1 TRP A 14 26.161 -28.003 18.987 1.00 34.14 C ATOM 189 CD2 TRP A 14 27.619 -28.262 17.309 1.00 32.13 C ATOM 190 NE1 TRP A 14 26.952 -29.088 19.279 1.00 11.25 N ATOM 191 CE2 TRP A 14 27.855 -29.267 18.265 1.00 72.24 C ATOM 192 CE3 TRP A 14 28.415 -28.227 16.161 1.00 52.43 C ATOM 193 CZ2 TRP A 14 28.849 -30.228 18.107 1.00 61.11 C ATOM 194 CZ3 TRP A 14 29.405 -29.178 16.006 1.00 24.33 C ATOM 195 CH2 TRP A 14 29.615 -30.166 16.974 1.00 71.42 C ATOM 0 H TRP A 14 25.029 -24.600 15.543 1.00 13.53 H new ATOM 0 HA TRP A 14 25.498 -27.342 15.301 1.00 55.11 H new ATOM 0 HB2 TRP A 14 26.724 -25.645 16.711 1.00 53.25 H new ATOM 0 HB3 TRP A 14 25.383 -25.680 17.839 1.00 53.25 H new ATOM 0 HD1 TRP A 14 25.361 -27.633 19.612 1.00 34.14 H new ATOM 0 HE1 TRP A 14 26.879 -29.667 20.116 1.00 11.25 H new ATOM 0 HE3 TRP A 14 28.259 -27.469 15.408 1.00 52.43 H new ATOM 0 HZ2 TRP A 14 29.010 -30.994 18.851 1.00 61.11 H new ATOM 0 HZ3 TRP A 14 30.027 -29.158 15.123 1.00 24.33 H new ATOM 0 HH2 TRP A 14 30.398 -30.895 16.824 1.00 71.42 H new ATOM 206 N GLU A 15 23.795 -28.666 16.625 1.00 44.34 N ATOM 207 CA GLU A 15 22.642 -29.503 16.973 1.00 22.34 C ATOM 208 C GLU A 15 21.799 -28.945 18.114 1.00 24.33 C ATOM 209 O GLU A 15 22.150 -29.046 19.291 1.00 3.10 O ATOM 210 CB GLU A 15 23.088 -30.929 17.295 1.00 35.12 C ATOM 211 CG GLU A 15 23.527 -31.706 16.067 1.00 53.31 C ATOM 212 CD GLU A 15 22.489 -31.657 14.964 1.00 41.30 C ATOM 213 OE1 GLU A 15 21.460 -32.358 15.075 1.00 63.35 O ATOM 214 OE2 GLU A 15 22.694 -30.912 13.980 1.00 74.13 O1- ATOM 0 H GLU A 15 24.655 -29.195 16.480 1.00 44.34 H new ATOM 0 HA GLU A 15 22.001 -29.508 16.091 1.00 22.34 H new ATOM 0 HB2 GLU A 15 23.911 -30.894 18.009 1.00 35.12 H new ATOM 0 HB3 GLU A 15 22.268 -31.459 17.780 1.00 35.12 H new ATOM 0 HG2 GLU A 15 24.468 -31.299 15.698 1.00 53.31 H new ATOM 0 HG3 GLU A 15 23.715 -32.744 16.342 1.00 53.31 H new ATOM 221 N GLY A 16 20.689 -28.341 17.725 1.00 71.54 N ATOM 222 CA GLY A 16 19.706 -27.855 18.662 1.00 11.25 C ATOM 223 C GLY A 16 18.342 -27.812 18.010 1.00 0.41 C ATOM 224 O GLY A 16 17.845 -28.837 17.544 1.00 33.22 O ATOM 0 H GLY A 16 20.449 -28.176 16.747 1.00 71.54 H new ATOM 0 HA2 GLY A 16 19.678 -28.501 19.539 1.00 11.25 H new ATOM 0 HA3 GLY A 16 19.984 -26.859 19.008 1.00 11.25 H new ATOM 228 N GLY A 17 17.746 -26.634 17.964 1.00 23.54 N ATOM 229 CA GLY A 17 16.507 -26.459 17.238 1.00 23.21 C ATOM 230 C GLY A 17 16.007 -25.036 17.324 1.00 4.21 C ATOM 231 O GLY A 17 16.706 -24.162 17.841 1.00 73.45 O ATOM 0 H GLY A 17 18.099 -25.792 18.418 1.00 23.54 H new ATOM 0 HA2 GLY A 17 16.656 -26.730 16.193 1.00 23.21 H new ATOM 0 HA3 GLY A 17 15.752 -27.135 17.638 1.00 23.21 H new ATOM 235 N ILE A 18 14.798 -24.801 16.837 1.00 13.11 N ATOM 236 CA ILE A 18 14.187 -23.484 16.908 1.00 4.12 C ATOM 237 C ILE A 18 12.700 -23.591 17.183 1.00 21.53 C ATOM 238 O ILE A 18 11.974 -24.330 16.519 1.00 64.33 O ATOM 239 CB ILE A 18 14.441 -22.645 15.631 1.00 60.43 C ATOM 240 CG1 ILE A 18 15.856 -22.076 15.680 1.00 33.34 C ATOM 241 CG2 ILE A 18 13.416 -21.521 15.490 1.00 50.32 C ATOM 242 CD1 ILE A 18 16.198 -21.163 14.521 1.00 70.34 C ATOM 0 H ILE A 18 14.219 -25.510 16.386 1.00 13.11 H new ATOM 0 HA ILE A 18 14.663 -22.962 17.738 1.00 4.12 H new ATOM 0 HB ILE A 18 14.336 -23.291 14.760 1.00 60.43 H new ATOM 0 HG12 ILE A 18 15.982 -21.525 16.612 1.00 33.34 H new ATOM 0 HG13 ILE A 18 16.567 -22.902 15.700 1.00 33.34 H new ATOM 0 HG21 ILE A 18 13.623 -20.952 14.584 1.00 50.32 H new ATOM 0 HG22 ILE A 18 12.415 -21.947 15.430 1.00 50.32 H new ATOM 0 HG23 ILE A 18 13.478 -20.861 16.355 1.00 50.32 H new ATOM 0 HD11 ILE A 18 17.220 -20.802 14.632 1.00 70.34 H new ATOM 0 HD12 ILE A 18 16.107 -21.714 13.585 1.00 70.34 H new ATOM 0 HD13 ILE A 18 15.513 -20.315 14.511 1.00 70.34 H new ATOM 254 N ARG A 19 12.268 -22.848 18.177 1.00 44.43 N ATOM 255 CA ARG A 19 10.884 -22.830 18.589 1.00 12.34 C ATOM 256 C ARG A 19 10.231 -21.571 18.046 1.00 54.31 C ATOM 257 O ARG A 19 10.857 -20.515 18.025 1.00 14.40 O ATOM 258 CB ARG A 19 10.828 -22.843 20.111 1.00 21.13 C ATOM 259 CG ARG A 19 9.495 -23.287 20.688 1.00 74.22 C ATOM 260 CD ARG A 19 9.221 -24.762 20.426 1.00 2.13 C ATOM 261 NE ARG A 19 7.977 -25.195 21.057 1.00 34.34 N ATOM 262 CZ ARG A 19 7.845 -26.310 21.769 1.00 15.24 C ATOM 263 NH1 ARG A 19 8.853 -27.172 21.865 1.00 45.21 N1+ ATOM 264 NH2 ARG A 19 6.687 -26.572 22.361 1.00 45.00 N ATOM 0 H ARG A 19 12.872 -22.235 18.725 1.00 44.43 H new ATOM 0 HA ARG A 19 10.354 -23.701 18.205 1.00 12.34 H new ATOM 0 HB2 ARG A 19 11.610 -23.504 20.485 1.00 21.13 H new ATOM 0 HB3 ARG A 19 11.054 -21.842 20.479 1.00 21.13 H new ATOM 0 HG2 ARG A 19 9.486 -23.102 21.762 1.00 74.22 H new ATOM 0 HG3 ARG A 19 8.695 -22.687 20.254 1.00 74.22 H new ATOM 0 HD2 ARG A 19 9.166 -24.938 19.352 1.00 2.13 H new ATOM 0 HD3 ARG A 19 10.050 -25.360 20.805 1.00 2.13 H new ATOM 0 HE ARG A 19 7.155 -24.602 20.944 1.00 34.34 H new ATOM 0 HH11 ARG A 19 9.735 -26.980 21.391 1.00 45.21 H new ATOM 0 HH12 ARG A 19 8.744 -28.025 22.413 1.00 45.21 H new ATOM 0 HH21 ARG A 19 5.908 -25.921 22.268 1.00 45.00 H new ATOM 0 HH22 ARG A 19 6.576 -27.425 22.909 1.00 45.00 H new ATOM 278 N TYR A 20 8.997 -21.665 17.591 1.00 74.35 N ATOM 279 CA TYR A 20 8.339 -20.501 17.028 1.00 40.55 C ATOM 280 C TYR A 20 7.274 -19.982 17.986 1.00 34.25 C ATOM 281 O TYR A 20 7.144 -20.482 19.107 1.00 72.21 O ATOM 282 CB TYR A 20 7.748 -20.855 15.659 1.00 12.44 C ATOM 283 CG TYR A 20 8.792 -21.360 14.688 1.00 42.23 C ATOM 284 CD1 TYR A 20 9.014 -22.722 14.521 1.00 24.23 C ATOM 285 CD2 TYR A 20 9.574 -20.475 13.959 1.00 1.23 C ATOM 286 CE1 TYR A 20 9.987 -23.185 13.656 1.00 54.01 C ATOM 287 CE2 TYR A 20 10.546 -20.931 13.087 1.00 52.11 C ATOM 288 CZ TYR A 20 10.749 -22.286 12.943 1.00 34.52 C ATOM 289 OH TYR A 20 11.723 -22.745 12.084 1.00 22.43 O ATOM 0 H TYR A 20 8.438 -22.518 17.599 1.00 74.35 H new ATOM 0 HA TYR A 20 9.067 -19.702 16.886 1.00 40.55 H new ATOM 0 HB2 TYR A 20 6.977 -21.615 15.786 1.00 12.44 H new ATOM 0 HB3 TYR A 20 7.262 -19.975 15.239 1.00 12.44 H new ATOM 0 HD1 TYR A 20 8.416 -23.430 15.076 1.00 24.23 H new ATOM 0 HD2 TYR A 20 9.421 -19.412 14.075 1.00 1.23 H new ATOM 0 HE1 TYR A 20 10.149 -24.246 13.540 1.00 54.01 H new ATOM 0 HE2 TYR A 20 11.142 -20.229 12.523 1.00 52.11 H new ATOM 0 HH TYR A 20 12.169 -21.983 11.658 1.00 22.43 H new ATOM 299 N ARG A 21 6.499 -19.001 17.549 1.00 4.04 N ATOM 300 CA ARG A 21 5.524 -18.369 18.430 1.00 43.13 C ATOM 301 C ARG A 21 4.171 -18.250 17.733 1.00 4.10 C ATOM 302 O ARG A 21 3.145 -18.013 18.371 1.00 52.41 O ATOM 303 CB ARG A 21 6.047 -16.993 18.877 1.00 74.30 C ATOM 304 CG ARG A 21 5.343 -16.425 20.103 1.00 52.33 C ATOM 305 CD ARG A 21 4.260 -15.427 19.726 1.00 1.31 C ATOM 306 NE ARG A 21 4.817 -14.161 19.242 1.00 72.30 N ATOM 307 CZ ARG A 21 4.333 -13.481 18.203 1.00 63.53 C ATOM 308 NH1 ARG A 21 3.297 -13.952 17.517 1.00 42.32 N1+ ATOM 309 NH2 ARG A 21 4.879 -12.322 17.859 1.00 24.04 N ATOM 0 H ARG A 21 6.524 -18.627 16.600 1.00 4.04 H new ATOM 0 HA ARG A 21 5.383 -18.989 19.316 1.00 43.13 H new ATOM 0 HB2 ARG A 21 7.113 -17.073 19.089 1.00 74.30 H new ATOM 0 HB3 ARG A 21 5.938 -16.290 18.051 1.00 74.30 H new ATOM 0 HG2 ARG A 21 4.902 -17.239 20.677 1.00 52.33 H new ATOM 0 HG3 ARG A 21 6.075 -15.939 20.749 1.00 52.33 H new ATOM 0 HD2 ARG A 21 3.622 -15.860 18.955 1.00 1.31 H new ATOM 0 HD3 ARG A 21 3.627 -15.236 20.593 1.00 1.31 H new ATOM 0 HE ARG A 21 5.625 -13.776 19.731 1.00 72.30 H new ATOM 0 HH11 ARG A 21 2.868 -14.838 17.785 1.00 42.32 H new ATOM 0 HH12 ARG A 21 2.930 -13.428 16.723 1.00 42.32 H new ATOM 0 HH21 ARG A 21 5.668 -11.953 18.389 1.00 24.04 H new ATOM 0 HH22 ARG A 21 4.510 -11.800 17.064 1.00 24.04 H new ATOM 323 N GLY A 22 4.177 -18.429 16.422 1.00 11.55 N ATOM 324 CA GLY A 22 2.948 -18.403 15.658 1.00 50.05 C ATOM 325 C GLY A 22 2.996 -19.367 14.496 1.00 71.12 C ATOM 326 O GLY A 22 2.338 -19.161 13.480 1.00 54.54 O ATOM 0 H GLY A 22 5.018 -18.593 15.869 1.00 11.55 H new ATOM 0 HA2 GLY A 22 2.110 -18.656 16.307 1.00 50.05 H new ATOM 0 HA3 GLY A 22 2.771 -17.394 15.287 1.00 50.05 H new ATOM 330 N LEU A 23 3.793 -20.418 14.648 1.00 51.01 N ATOM 331 CA LEU A 23 3.961 -21.421 13.607 1.00 52.44 C ATOM 332 C LEU A 23 4.106 -22.803 14.225 1.00 5.12 C ATOM 333 O LEU A 23 4.864 -22.989 15.180 1.00 0.51 O ATOM 334 CB LEU A 23 5.190 -21.115 12.740 1.00 44.13 C ATOM 335 CG LEU A 23 5.075 -19.884 11.836 1.00 45.22 C ATOM 336 CD1 LEU A 23 6.401 -19.605 11.151 1.00 34.31 C ATOM 337 CD2 LEU A 23 3.976 -20.079 10.801 1.00 3.33 C ATOM 0 H LEU A 23 4.337 -20.597 15.492 1.00 51.01 H new ATOM 0 HA LEU A 23 3.074 -21.398 12.974 1.00 52.44 H new ATOM 0 HB2 LEU A 23 6.050 -20.982 13.396 1.00 44.13 H new ATOM 0 HB3 LEU A 23 5.396 -21.984 12.115 1.00 44.13 H new ATOM 0 HG LEU A 23 4.815 -19.026 12.456 1.00 45.22 H new ATOM 0 HD11 LEU A 23 6.303 -18.727 10.512 1.00 34.31 H new ATOM 0 HD12 LEU A 23 7.168 -19.422 11.904 1.00 34.31 H new ATOM 0 HD13 LEU A 23 6.685 -20.465 10.545 1.00 34.31 H new ATOM 0 HD21 LEU A 23 3.910 -19.194 10.169 1.00 3.33 H new ATOM 0 HD22 LEU A 23 4.206 -20.948 10.185 1.00 3.33 H new ATOM 0 HD23 LEU A 23 3.023 -20.235 11.307 1.00 3.33 H new ATOM 349 N THR A 24 3.368 -23.759 13.687 1.00 45.31 N ATOM 350 CA THR A 24 3.453 -25.137 14.136 1.00 75.32 C ATOM 351 C THR A 24 4.493 -25.897 13.303 1.00 64.12 C ATOM 352 O THR A 24 5.141 -25.312 12.429 1.00 23.12 O ATOM 353 CB THR A 24 2.076 -25.839 14.059 1.00 73.21 C ATOM 354 OG1 THR A 24 2.107 -27.064 14.804 1.00 0.00 O ATOM 355 CG2 THR A 24 1.671 -26.121 12.615 1.00 12.52 C ATOM 0 H THR A 24 2.699 -23.604 12.933 1.00 45.31 H new ATOM 0 HA THR A 24 3.766 -25.137 15.180 1.00 75.32 H new ATOM 0 HB THR A 24 1.335 -25.167 14.492 1.00 73.21 H new ATOM 0 HG1 THR A 24 1.231 -27.501 14.752 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.699 -26.614 12.599 1.00 12.52 H new ATOM 0 HG22 THR A 24 1.610 -25.182 12.064 1.00 12.52 H new ATOM 0 HG23 THR A 24 2.414 -26.768 12.148 1.00 12.52 H new ATOM 363 N ARG A 25 4.663 -27.190 13.580 1.00 3.14 N ATOM 364 CA ARG A 25 5.688 -27.990 12.908 1.00 73.32 C ATOM 365 C ARG A 25 5.311 -28.295 11.454 1.00 50.00 C ATOM 366 O ARG A 25 4.287 -27.826 10.954 1.00 5.42 O ATOM 367 CB ARG A 25 5.899 -29.300 13.677 1.00 33.05 C ATOM 368 CG ARG A 25 6.544 -29.116 15.041 1.00 24.32 C ATOM 369 CD ARG A 25 6.469 -30.389 15.870 1.00 10.33 C ATOM 370 NE ARG A 25 5.101 -30.669 16.319 1.00 33.14 N ATOM 371 CZ ARG A 25 4.613 -31.894 16.519 1.00 2.41 C ATOM 372 NH1 ARG A 25 5.369 -32.964 16.314 1.00 13.30 N1+ ATOM 373 NH2 ARG A 25 3.365 -32.054 16.938 1.00 62.54 N ATOM 0 H ARG A 25 4.106 -27.705 14.263 1.00 3.14 H new ATOM 0 HA ARG A 25 6.612 -27.411 12.894 1.00 73.32 H new ATOM 0 HB2 ARG A 25 4.936 -29.794 13.805 1.00 33.05 H new ATOM 0 HB3 ARG A 25 6.521 -29.965 13.078 1.00 33.05 H new ATOM 0 HG2 ARG A 25 7.586 -28.824 14.915 1.00 24.32 H new ATOM 0 HG3 ARG A 25 6.047 -28.305 15.573 1.00 24.32 H new ATOM 0 HD2 ARG A 25 6.837 -31.229 15.280 1.00 10.33 H new ATOM 0 HD3 ARG A 25 7.124 -30.297 16.736 1.00 10.33 H new ATOM 0 HE ARG A 25 4.483 -29.876 16.489 1.00 33.14 H new ATOM 0 HH11 ARG A 25 6.333 -32.855 16.000 1.00 13.30 H new ATOM 0 HH12 ARG A 25 4.986 -33.896 16.470 1.00 13.30 H new ATOM 0 HH21 ARG A 25 2.776 -31.239 17.108 1.00 62.54 H new ATOM 0 HH22 ARG A 25 2.994 -32.992 17.090 1.00 62.54 H new ATOM 387 N ASP A 26 6.133 -29.124 10.800 1.00 11.55 N ATOM 388 CA ASP A 26 5.947 -29.490 9.389 1.00 13.41 C ATOM 389 C ASP A 26 5.777 -28.249 8.505 1.00 2.54 C ATOM 390 O ASP A 26 5.087 -28.271 7.487 1.00 54.04 O ATOM 391 CB ASP A 26 4.756 -30.445 9.230 1.00 51.21 C ATOM 392 CG ASP A 26 4.630 -30.986 7.817 1.00 14.41 C ATOM 393 OD1 ASP A 26 5.642 -31.488 7.273 1.00 15.50 O ATOM 394 OD2 ASP A 26 3.521 -30.916 7.244 1.00 15.44 O1- ATOM 0 H ASP A 26 6.947 -29.561 11.233 1.00 11.55 H new ATOM 0 HA ASP A 26 6.848 -30.007 9.057 1.00 13.41 H new ATOM 0 HB2 ASP A 26 4.866 -31.277 9.926 1.00 51.21 H new ATOM 0 HB3 ASP A 26 3.838 -29.923 9.499 1.00 51.21 H new ATOM 399 N GLN A 27 6.443 -27.174 8.880 1.00 2.23 N ATOM 400 CA GLN A 27 6.370 -25.932 8.132 1.00 4.51 C ATOM 401 C GLN A 27 7.763 -25.368 7.905 1.00 2.23 C ATOM 402 O GLN A 27 8.750 -26.091 8.053 1.00 21.25 O ATOM 403 CB GLN A 27 5.498 -24.915 8.871 1.00 41.02 C ATOM 404 CG GLN A 27 4.006 -25.156 8.693 1.00 12.33 C ATOM 405 CD GLN A 27 3.155 -24.118 9.396 1.00 33.35 C ATOM 406 OE1 GLN A 27 3.616 -23.645 10.538 1.00 70.15 O flip ATOM 407 NE2 GLN A 27 2.076 -23.761 8.928 1.00 42.30 N flip ATOM 0 H GLN A 27 7.044 -27.135 9.703 1.00 2.23 H new ATOM 0 HA GLN A 27 5.917 -26.138 7.162 1.00 4.51 H new ATOM 0 HB2 GLN A 27 5.739 -24.945 9.934 1.00 41.02 H new ATOM 0 HB3 GLN A 27 5.742 -23.913 8.517 1.00 41.02 H new ATOM 0 HG2 GLN A 27 3.767 -25.155 7.630 1.00 12.33 H new ATOM 0 HG3 GLN A 27 3.754 -26.145 9.076 1.00 12.33 H new ATOM 0 HE21 GLN A 27 1.751 -24.148 8.042 1.00 42.30 H new ATOM 0 HE22 GLN A 27 1.505 -23.077 9.426 1.00 42.30 H new ATOM 416 N VAL A 28 7.818 -24.090 7.518 1.00 40.51 N ATOM 417 CA VAL A 28 9.071 -23.351 7.293 1.00 21.23 C ATOM 418 C VAL A 28 10.057 -24.128 6.414 1.00 20.45 C ATOM 419 O VAL A 28 11.273 -24.048 6.592 1.00 35.23 O ATOM 420 CB VAL A 28 9.756 -22.889 8.617 1.00 75.00 C ATOM 421 CG1 VAL A 28 8.825 -21.984 9.405 1.00 3.34 C ATOM 422 CG2 VAL A 28 10.217 -24.051 9.489 1.00 12.44 C ATOM 0 H VAL A 28 6.983 -23.529 7.349 1.00 40.51 H new ATOM 0 HA VAL A 28 8.779 -22.450 6.753 1.00 21.23 H new ATOM 0 HB VAL A 28 10.650 -22.337 8.328 1.00 75.00 H new ATOM 0 HG11 VAL A 28 9.316 -21.670 10.326 1.00 3.34 H new ATOM 0 HG12 VAL A 28 8.579 -21.106 8.807 1.00 3.34 H new ATOM 0 HG13 VAL A 28 7.911 -22.526 9.648 1.00 3.34 H new ATOM 0 HG21 VAL A 28 10.685 -23.663 10.394 1.00 12.44 H new ATOM 0 HG22 VAL A 28 9.359 -24.666 9.759 1.00 12.44 H new ATOM 0 HG23 VAL A 28 10.938 -24.656 8.938 1.00 12.44 H new ATOM 432 N LYS A 29 9.520 -24.845 5.430 1.00 1.44 N ATOM 433 CA LYS A 29 10.346 -25.584 4.483 1.00 53.22 C ATOM 434 C LYS A 29 10.904 -24.623 3.440 1.00 71.12 C ATOM 435 O LYS A 29 12.063 -24.724 3.028 1.00 33.02 O ATOM 436 CB LYS A 29 9.536 -26.685 3.788 1.00 54.41 C ATOM 437 CG LYS A 29 8.796 -27.614 4.739 1.00 70.52 C ATOM 438 CD LYS A 29 8.072 -28.717 3.981 1.00 33.02 C ATOM 439 CE LYS A 29 7.135 -29.512 4.881 1.00 11.13 C ATOM 440 NZ LYS A 29 7.850 -30.220 5.975 1.00 21.55 N1+ ATOM 0 H LYS A 29 8.516 -24.929 5.269 1.00 1.44 H new ATOM 0 HA LYS A 29 11.163 -26.054 5.030 1.00 53.22 H new ATOM 0 HB2 LYS A 29 8.813 -26.220 3.118 1.00 54.41 H new ATOM 0 HB3 LYS A 29 10.209 -27.279 3.169 1.00 54.41 H new ATOM 0 HG2 LYS A 29 9.502 -28.056 5.442 1.00 70.52 H new ATOM 0 HG3 LYS A 29 8.078 -27.041 5.326 1.00 70.52 H new ATOM 0 HD2 LYS A 29 7.502 -28.279 3.162 1.00 33.02 H new ATOM 0 HD3 LYS A 29 8.804 -29.391 3.536 1.00 33.02 H new ATOM 0 HE2 LYS A 29 6.395 -28.838 5.313 1.00 11.13 H new ATOM 0 HE3 LYS A 29 6.590 -30.239 4.279 1.00 11.13 H new ATOM 0 HZ1 LYS A 29 7.163 -30.730 6.566 1.00 21.55 H new ATOM 0 HZ2 LYS A 29 8.526 -30.897 5.567 1.00 21.55 H new ATOM 0 HZ3 LYS A 29 8.362 -29.529 6.559 1.00 21.55 H new ATOM 454 N ALA A 30 10.065 -23.689 3.019 1.00 52.32 N ATOM 455 CA ALA A 30 10.467 -22.657 2.079 1.00 14.13 C ATOM 456 C ALA A 30 9.654 -21.388 2.295 1.00 61.32 C ATOM 457 O ALA A 30 8.581 -21.214 1.713 1.00 75.11 O ATOM 458 CB ALA A 30 10.324 -23.145 0.644 1.00 4.23 C ATOM 0 H ALA A 30 9.092 -23.626 3.318 1.00 52.32 H new ATOM 0 HA ALA A 30 11.518 -22.428 2.257 1.00 14.13 H new ATOM 0 HB1 ALA A 30 10.631 -22.355 -0.041 1.00 4.23 H new ATOM 0 HB2 ALA A 30 10.954 -24.021 0.493 1.00 4.23 H new ATOM 0 HB3 ALA A 30 9.284 -23.409 0.451 1.00 4.23 H new ATOM 464 N ILE A 31 10.151 -20.528 3.168 1.00 25.12 N ATOM 465 CA ILE A 31 9.540 -19.230 3.409 1.00 40.14 C ATOM 466 C ILE A 31 10.555 -18.141 3.096 1.00 74.23 C ATOM 467 O ILE A 31 11.724 -18.261 3.461 1.00 4.24 O ATOM 468 CB ILE A 31 9.045 -19.085 4.869 1.00 34.44 C ATOM 469 CG1 ILE A 31 8.016 -20.173 5.190 1.00 11.21 C ATOM 470 CG2 ILE A 31 8.447 -17.701 5.099 1.00 41.23 C ATOM 471 CD1 ILE A 31 7.431 -20.071 6.581 1.00 3.32 C ATOM 0 H ILE A 31 10.985 -20.708 3.727 1.00 25.12 H new ATOM 0 HA ILE A 31 8.669 -19.136 2.760 1.00 40.14 H new ATOM 0 HB ILE A 31 9.898 -19.204 5.537 1.00 34.44 H new ATOM 0 HG12 ILE A 31 7.207 -20.121 4.461 1.00 11.21 H new ATOM 0 HG13 ILE A 31 8.486 -21.150 5.075 1.00 11.21 H new ATOM 0 HG21 ILE A 31 8.105 -17.619 6.131 1.00 41.23 H new ATOM 0 HG22 ILE A 31 9.204 -16.941 4.906 1.00 41.23 H new ATOM 0 HG23 ILE A 31 7.604 -17.552 4.425 1.00 41.23 H new ATOM 0 HD11 ILE A 31 6.711 -20.875 6.733 1.00 3.32 H new ATOM 0 HD12 ILE A 31 8.229 -20.154 7.318 1.00 3.32 H new ATOM 0 HD13 ILE A 31 6.930 -19.110 6.696 1.00 3.32 H new ATOM 483 N ASN A 32 10.121 -17.100 2.409 1.00 72.34 N ATOM 484 CA ASN A 32 11.035 -16.056 1.969 1.00 15.12 C ATOM 485 C ASN A 32 11.349 -15.095 3.105 1.00 73.04 C ATOM 486 O ASN A 32 12.513 -14.797 3.374 1.00 13.03 O ATOM 487 CB ASN A 32 10.445 -15.293 0.783 1.00 71.30 C ATOM 488 CG ASN A 32 10.158 -16.198 -0.399 1.00 3.15 C ATOM 489 OD1 ASN A 32 11.026 -16.448 -1.233 1.00 51.12 O ATOM 490 ND2 ASN A 32 8.933 -16.697 -0.474 1.00 22.03 N ATOM 0 H ASN A 32 9.147 -16.953 2.144 1.00 72.34 H new ATOM 0 HA ASN A 32 11.964 -16.532 1.654 1.00 15.12 H new ATOM 0 HB2 ASN A 32 9.523 -14.801 1.093 1.00 71.30 H new ATOM 0 HB3 ASN A 32 11.138 -14.509 0.477 1.00 71.30 H new ATOM 0 HD21 ASN A 32 8.680 -17.314 -1.246 1.00 22.03 H new ATOM 0 HD22 ASN A 32 8.243 -16.464 0.240 1.00 22.03 H new ATOM 497 N PHE A 33 10.306 -14.620 3.776 1.00 4.32 N ATOM 498 CA PHE A 33 10.469 -13.676 4.872 1.00 60.13 C ATOM 499 C PHE A 33 9.528 -13.998 6.022 1.00 71.25 C ATOM 500 O PHE A 33 8.364 -14.347 5.811 1.00 43.02 O ATOM 501 CB PHE A 33 10.212 -12.237 4.402 1.00 25.12 C ATOM 502 CG PHE A 33 11.234 -11.709 3.434 1.00 51.52 C ATOM 503 CD1 PHE A 33 10.894 -11.450 2.117 1.00 50.10 C ATOM 504 CD2 PHE A 33 12.535 -11.468 3.846 1.00 1.10 C ATOM 505 CE1 PHE A 33 11.832 -10.963 1.227 1.00 3.21 C ATOM 506 CE2 PHE A 33 13.477 -10.982 2.961 1.00 62.54 C ATOM 507 CZ PHE A 33 13.125 -10.726 1.651 1.00 65.33 C ATOM 0 H PHE A 33 9.338 -14.874 3.579 1.00 4.32 H new ATOM 0 HA PHE A 33 11.499 -13.764 5.219 1.00 60.13 H new ATOM 0 HB2 PHE A 33 9.228 -12.190 3.935 1.00 25.12 H new ATOM 0 HB3 PHE A 33 10.182 -11.583 5.273 1.00 25.12 H new ATOM 0 HD1 PHE A 33 9.884 -11.631 1.781 1.00 50.10 H new ATOM 0 HD2 PHE A 33 12.815 -11.662 4.871 1.00 1.10 H new ATOM 0 HE1 PHE A 33 11.555 -10.768 0.202 1.00 3.21 H new ATOM 0 HE2 PHE A 33 14.489 -10.802 3.294 1.00 62.54 H new ATOM 0 HZ PHE A 33 13.859 -10.341 0.959 1.00 65.33 H new ATOM 517 N LEU A 34 10.048 -13.901 7.233 1.00 45.21 N ATOM 518 CA LEU A 34 9.228 -13.976 8.427 1.00 44.33 C ATOM 519 C LEU A 34 8.686 -12.586 8.736 1.00 61.32 C ATOM 520 O LEU A 34 9.407 -11.597 8.600 1.00 5.11 O ATOM 521 CB LEU A 34 10.031 -14.511 9.627 1.00 2.10 C ATOM 522 CG LEU A 34 10.276 -16.028 9.659 1.00 42.44 C ATOM 523 CD1 LEU A 34 8.958 -16.785 9.583 1.00 10.42 C ATOM 524 CD2 LEU A 34 11.216 -16.463 8.540 1.00 73.11 C ATOM 0 H LEU A 34 11.043 -13.769 7.415 1.00 45.21 H new ATOM 0 HA LEU A 34 8.406 -14.669 8.248 1.00 44.33 H new ATOM 0 HB2 LEU A 34 10.998 -14.008 9.644 1.00 2.10 H new ATOM 0 HB3 LEU A 34 9.509 -14.229 10.541 1.00 2.10 H new ATOM 0 HG LEU A 34 10.758 -16.269 10.607 1.00 42.44 H new ATOM 0 HD11 LEU A 34 9.152 -17.857 9.607 1.00 10.42 H new ATOM 0 HD12 LEU A 34 8.331 -16.511 10.432 1.00 10.42 H new ATOM 0 HD13 LEU A 34 8.445 -16.530 8.656 1.00 10.42 H new ATOM 0 HD21 LEU A 34 11.368 -17.541 8.591 1.00 73.11 H new ATOM 0 HD22 LEU A 34 10.779 -16.204 7.576 1.00 73.11 H new ATOM 0 HD23 LEU A 34 12.174 -15.956 8.652 1.00 73.11 H new ATOM 536 N PRO A 35 7.407 -12.488 9.131 1.00 32.22 N ATOM 537 CA PRO A 35 6.759 -11.201 9.404 1.00 5.03 C ATOM 538 C PRO A 35 7.460 -10.406 10.506 1.00 10.23 C ATOM 539 O PRO A 35 8.000 -10.976 11.456 1.00 63.24 O ATOM 540 CB PRO A 35 5.341 -11.588 9.844 1.00 22.10 C ATOM 541 CG PRO A 35 5.420 -13.031 10.207 1.00 24.21 C ATOM 542 CD PRO A 35 6.492 -13.619 9.337 1.00 34.40 C ATOM 0 HA PRO A 35 6.784 -10.551 8.529 1.00 5.03 H new ATOM 0 HB2 PRO A 35 5.015 -10.987 10.693 1.00 22.10 H new ATOM 0 HB3 PRO A 35 4.622 -11.423 9.042 1.00 22.10 H new ATOM 0 HG2 PRO A 35 5.663 -13.155 11.262 1.00 24.21 H new ATOM 0 HG3 PRO A 35 4.465 -13.528 10.039 1.00 24.21 H new ATOM 0 HD2 PRO A 35 6.990 -14.458 9.822 1.00 34.40 H new ATOM 0 HD3 PRO A 35 6.089 -13.989 8.394 1.00 34.40 H new ATOM 550 N VAL A 36 7.459 -9.089 10.362 1.00 60.55 N ATOM 551 CA VAL A 36 8.035 -8.208 11.366 1.00 53.33 C ATOM 552 C VAL A 36 7.280 -8.345 12.690 1.00 1.10 C ATOM 553 O VAL A 36 6.070 -8.587 12.693 1.00 72.31 O ATOM 554 CB VAL A 36 8.017 -6.735 10.883 1.00 4.21 C ATOM 555 CG1 VAL A 36 6.603 -6.289 10.547 1.00 64.12 C ATOM 556 CG2 VAL A 36 8.641 -5.808 11.916 1.00 25.11 C ATOM 0 H VAL A 36 7.064 -8.606 9.556 1.00 60.55 H new ATOM 0 HA VAL A 36 9.073 -8.502 11.523 1.00 53.33 H new ATOM 0 HB VAL A 36 8.617 -6.679 9.975 1.00 4.21 H new ATOM 0 HG11 VAL A 36 6.619 -5.252 10.211 1.00 64.12 H new ATOM 0 HG12 VAL A 36 6.201 -6.921 9.755 1.00 64.12 H new ATOM 0 HG13 VAL A 36 5.974 -6.374 11.434 1.00 64.12 H new ATOM 0 HG21 VAL A 36 8.614 -4.782 11.548 1.00 25.11 H new ATOM 0 HG22 VAL A 36 8.082 -5.874 12.849 1.00 25.11 H new ATOM 0 HG23 VAL A 36 9.676 -6.103 12.092 1.00 25.11 H new ATOM 566 N ASP A 37 8.018 -8.225 13.801 1.00 75.53 N ATOM 567 CA ASP A 37 7.460 -8.330 15.157 1.00 0.24 C ATOM 568 C ASP A 37 7.247 -9.798 15.548 1.00 61.43 C ATOM 569 O ASP A 37 6.751 -10.106 16.632 1.00 74.15 O ATOM 570 CB ASP A 37 6.157 -7.516 15.280 1.00 1.03 C ATOM 571 CG ASP A 37 5.565 -7.517 16.675 1.00 73.54 C ATOM 572 OD1 ASP A 37 6.153 -6.882 17.575 1.00 11.24 O ATOM 573 OD2 ASP A 37 4.491 -8.127 16.867 1.00 24.30 O1- ATOM 0 H ASP A 37 9.023 -8.052 13.785 1.00 75.53 H new ATOM 0 HA ASP A 37 8.180 -7.905 15.856 1.00 0.24 H new ATOM 0 HB2 ASP A 37 6.353 -6.487 14.979 1.00 1.03 H new ATOM 0 HB3 ASP A 37 5.422 -7.917 14.583 1.00 1.03 H new ATOM 578 N TYR A 38 7.649 -10.708 14.672 1.00 64.13 N ATOM 579 CA TYR A 38 7.577 -12.129 14.976 1.00 64.04 C ATOM 580 C TYR A 38 8.748 -12.532 15.872 1.00 13.41 C ATOM 581 O TYR A 38 9.832 -11.951 15.784 1.00 72.14 O ATOM 582 CB TYR A 38 7.583 -12.955 13.687 1.00 31.23 C ATOM 583 CG TYR A 38 7.221 -14.404 13.899 1.00 53.15 C ATOM 584 CD1 TYR A 38 8.198 -15.391 13.949 1.00 63.21 C ATOM 585 CD2 TYR A 38 5.896 -14.785 14.059 1.00 42.20 C ATOM 586 CE1 TYR A 38 7.862 -16.714 14.156 1.00 51.34 C ATOM 587 CE2 TYR A 38 5.554 -16.104 14.264 1.00 74.11 C ATOM 588 CZ TYR A 38 6.540 -17.063 14.313 1.00 52.12 C ATOM 589 OH TYR A 38 6.201 -18.380 14.521 1.00 52.04 O ATOM 0 H TYR A 38 8.026 -10.489 13.750 1.00 64.13 H new ATOM 0 HA TYR A 38 6.645 -12.326 15.505 1.00 64.04 H new ATOM 0 HB2 TYR A 38 6.882 -12.513 12.979 1.00 31.23 H new ATOM 0 HB3 TYR A 38 8.572 -12.899 13.233 1.00 31.23 H new ATOM 0 HD1 TYR A 38 9.236 -15.119 13.824 1.00 63.21 H new ATOM 0 HD2 TYR A 38 5.120 -14.035 14.022 1.00 42.20 H new ATOM 0 HE1 TYR A 38 8.632 -17.470 14.194 1.00 51.34 H new ATOM 0 HE2 TYR A 38 4.518 -16.384 14.386 1.00 74.11 H new ATOM 0 HH TYR A 38 6.569 -18.931 13.799 1.00 52.04 H new ATOM 599 N GLU A 39 8.521 -13.523 16.728 1.00 24.42 N ATOM 600 CA GLU A 39 9.527 -13.963 17.690 1.00 12.31 C ATOM 601 C GLU A 39 9.808 -15.454 17.539 1.00 14.54 C ATOM 602 O GLU A 39 8.902 -16.236 17.247 1.00 3.41 O ATOM 603 CB GLU A 39 9.038 -13.697 19.113 1.00 45.13 C ATOM 604 CG GLU A 39 8.586 -12.271 19.358 1.00 72.52 C ATOM 605 CD GLU A 39 7.827 -12.139 20.658 1.00 31.14 C ATOM 606 OE1 GLU A 39 6.625 -12.486 20.680 1.00 5.53 O ATOM 607 OE2 GLU A 39 8.425 -11.692 21.660 1.00 51.15 O1- ATOM 0 H GLU A 39 7.643 -14.040 16.775 1.00 24.42 H new ATOM 0 HA GLU A 39 10.443 -13.405 17.498 1.00 12.31 H new ATOM 0 HB2 GLU A 39 8.210 -14.371 19.333 1.00 45.13 H new ATOM 0 HB3 GLU A 39 9.839 -13.937 19.812 1.00 45.13 H new ATOM 0 HG2 GLU A 39 9.454 -11.612 19.375 1.00 72.52 H new ATOM 0 HG3 GLU A 39 7.954 -11.943 18.533 1.00 72.52 H new ATOM 614 N ILE A 40 11.062 -15.840 17.738 1.00 4.54 N ATOM 615 CA ILE A 40 11.440 -17.250 17.748 1.00 42.33 C ATOM 616 C ILE A 40 12.403 -17.542 18.901 1.00 75.11 C ATOM 617 O ILE A 40 13.124 -16.650 19.365 1.00 0.45 O ATOM 618 CB ILE A 40 12.092 -17.697 16.416 1.00 22.13 C ATOM 619 CG1 ILE A 40 13.289 -16.811 16.087 1.00 63.20 C ATOM 620 CG2 ILE A 40 11.078 -17.673 15.282 1.00 63.11 C ATOM 621 CD1 ILE A 40 14.001 -17.191 14.808 1.00 11.34 C ATOM 0 H ILE A 40 11.837 -15.196 17.895 1.00 4.54 H new ATOM 0 HA ILE A 40 10.518 -17.817 17.880 1.00 42.33 H new ATOM 0 HB ILE A 40 12.442 -18.722 16.533 1.00 22.13 H new ATOM 0 HG12 ILE A 40 12.953 -15.777 16.010 1.00 63.20 H new ATOM 0 HG13 ILE A 40 13.999 -16.855 16.913 1.00 63.20 H new ATOM 0 HG21 ILE A 40 11.559 -17.991 14.357 1.00 63.11 H new ATOM 0 HG22 ILE A 40 10.256 -18.350 15.515 1.00 63.11 H new ATOM 0 HG23 ILE A 40 10.691 -16.661 15.161 1.00 63.11 H new ATOM 0 HD11 ILE A 40 14.840 -16.515 14.644 1.00 11.34 H new ATOM 0 HD12 ILE A 40 14.370 -18.214 14.887 1.00 11.34 H new ATOM 0 HD13 ILE A 40 13.307 -17.119 13.970 1.00 11.34 H new ATOM 633 N GLU A 41 12.404 -18.786 19.354 1.00 61.12 N ATOM 634 CA GLU A 41 13.247 -19.215 20.463 1.00 13.03 C ATOM 635 C GLU A 41 14.250 -20.268 19.987 1.00 60.15 C ATOM 636 O GLU A 41 14.019 -20.947 18.989 1.00 54.15 O ATOM 637 CB GLU A 41 12.375 -19.790 21.586 1.00 74.33 C ATOM 638 CG GLU A 41 13.151 -20.148 22.843 1.00 15.40 C ATOM 639 CD GLU A 41 12.298 -20.833 23.891 1.00 2.52 C ATOM 640 OE1 GLU A 41 11.227 -20.302 24.231 1.00 21.53 O ATOM 641 OE2 GLU A 41 12.716 -21.897 24.401 1.00 65.45 O1- ATOM 0 H GLU A 41 11.822 -19.527 18.965 1.00 61.12 H new ATOM 0 HA GLU A 41 13.797 -18.354 20.843 1.00 13.03 H new ATOM 0 HB2 GLU A 41 11.603 -19.064 21.841 1.00 74.33 H new ATOM 0 HB3 GLU A 41 11.866 -20.681 21.218 1.00 74.33 H new ATOM 0 HG2 GLU A 41 13.983 -20.800 22.576 1.00 15.40 H new ATOM 0 HG3 GLU A 41 13.581 -19.241 23.268 1.00 15.40 H new ATOM 648 N TYR A 42 15.365 -20.391 20.693 1.00 75.13 N ATOM 649 CA TYR A 42 16.366 -21.405 20.379 1.00 70.02 C ATOM 650 C TYR A 42 16.311 -22.546 21.380 1.00 70.13 C ATOM 651 O TYR A 42 16.812 -22.424 22.496 1.00 31.24 O ATOM 652 CB TYR A 42 17.772 -20.806 20.372 1.00 71.13 C ATOM 653 CG TYR A 42 18.097 -20.021 19.128 1.00 14.45 C ATOM 654 CD1 TYR A 42 18.958 -20.534 18.165 1.00 42.45 C ATOM 655 CD2 TYR A 42 17.540 -18.774 18.913 1.00 74.53 C ATOM 656 CE1 TYR A 42 19.256 -19.816 17.024 1.00 52.40 C ATOM 657 CE2 TYR A 42 17.832 -18.055 17.778 1.00 60.14 C ATOM 658 CZ TYR A 42 18.688 -18.577 16.835 1.00 71.20 C ATOM 659 OH TYR A 42 18.983 -17.848 15.706 1.00 33.12 O ATOM 0 H TYR A 42 15.601 -19.800 21.490 1.00 75.13 H new ATOM 0 HA TYR A 42 16.140 -21.789 19.384 1.00 70.02 H new ATOM 0 HB2 TYR A 42 17.883 -20.155 21.239 1.00 71.13 H new ATOM 0 HB3 TYR A 42 18.499 -21.610 20.482 1.00 71.13 H new ATOM 0 HD1 TYR A 42 19.400 -21.508 18.311 1.00 42.45 H new ATOM 0 HD2 TYR A 42 16.866 -18.359 19.647 1.00 74.53 H new ATOM 0 HE1 TYR A 42 19.930 -20.224 16.285 1.00 52.40 H new ATOM 0 HE2 TYR A 42 17.390 -17.081 17.627 1.00 60.14 H new ATOM 0 HH TYR A 42 18.716 -18.354 14.911 1.00 33.12 H new ATOM 669 N VAL A 43 15.691 -23.643 20.987 1.00 14.33 N ATOM 670 CA VAL A 43 15.639 -24.822 21.834 1.00 13.01 C ATOM 671 C VAL A 43 16.826 -25.729 21.530 1.00 43.53 C ATOM 672 O VAL A 43 17.564 -25.501 20.567 1.00 23.35 O ATOM 673 CB VAL A 43 14.319 -25.610 21.660 1.00 2.42 C ATOM 674 CG1 VAL A 43 13.133 -24.766 22.100 1.00 12.10 C ATOM 675 CG2 VAL A 43 14.145 -26.073 20.221 1.00 10.23 C ATOM 0 H VAL A 43 15.217 -23.743 20.089 1.00 14.33 H new ATOM 0 HA VAL A 43 15.684 -24.484 22.869 1.00 13.01 H new ATOM 0 HB VAL A 43 14.367 -26.496 22.294 1.00 2.42 H new ATOM 0 HG11 VAL A 43 12.213 -25.336 21.971 1.00 12.10 H new ATOM 0 HG12 VAL A 43 13.248 -24.496 23.150 1.00 12.10 H new ATOM 0 HG13 VAL A 43 13.087 -23.860 21.495 1.00 12.10 H new ATOM 0 HG21 VAL A 43 13.209 -26.624 20.127 1.00 10.23 H new ATOM 0 HG22 VAL A 43 14.124 -25.207 19.560 1.00 10.23 H new ATOM 0 HG23 VAL A 43 14.977 -26.720 19.944 1.00 10.23 H new ATOM 685 N CYS A 44 17.020 -26.739 22.354 1.00 44.41 N ATOM 686 CA CYS A 44 18.103 -27.684 22.150 1.00 33.42 C ATOM 687 C CYS A 44 17.552 -28.948 21.503 1.00 23.24 C ATOM 688 O CYS A 44 16.337 -29.081 21.351 1.00 51.42 O ATOM 689 CB CYS A 44 18.765 -28.010 23.489 1.00 2.24 C ATOM 690 SG CYS A 44 20.435 -28.726 23.355 1.00 3.51 S ATOM 0 H CYS A 44 16.442 -26.928 23.173 1.00 44.41 H new ATOM 0 HA CYS A 44 18.854 -27.248 21.492 1.00 33.42 H new ATOM 0 HB2 CYS A 44 18.822 -27.098 24.083 1.00 2.24 H new ATOM 0 HB3 CYS A 44 18.128 -28.706 24.034 1.00 2.24 H new ATOM 695 N ARG A 45 18.433 -29.866 21.116 1.00 62.05 N ATOM 696 CA ARG A 45 18.004 -31.124 20.515 1.00 5.01 C ATOM 697 C ARG A 45 17.113 -31.906 21.475 1.00 54.03 C ATOM 698 O ARG A 45 17.544 -32.312 22.557 1.00 24.32 O ATOM 699 CB ARG A 45 19.208 -31.979 20.106 1.00 71.44 C ATOM 700 CG ARG A 45 19.659 -31.762 18.667 1.00 42.32 C ATOM 701 CD ARG A 45 18.559 -32.142 17.689 1.00 12.32 C ATOM 702 NE ARG A 45 18.979 -32.036 16.292 1.00 32.41 N ATOM 703 CZ ARG A 45 18.126 -31.944 15.272 1.00 70.05 C ATOM 704 NH1 ARG A 45 16.818 -31.875 15.493 1.00 54.35 N1+ ATOM 705 NH2 ARG A 45 18.581 -31.907 14.027 1.00 35.41 N ATOM 0 H ARG A 45 19.444 -29.763 21.207 1.00 62.05 H new ATOM 0 HA ARG A 45 17.431 -30.883 19.620 1.00 5.01 H new ATOM 0 HB2 ARG A 45 20.041 -31.760 20.774 1.00 71.44 H new ATOM 0 HB3 ARG A 45 18.958 -33.031 20.243 1.00 71.44 H new ATOM 0 HG2 ARG A 45 19.935 -30.717 18.522 1.00 42.32 H new ATOM 0 HG3 ARG A 45 20.550 -32.358 18.467 1.00 42.32 H new ATOM 0 HD2 ARG A 45 18.238 -33.164 17.890 1.00 12.32 H new ATOM 0 HD3 ARG A 45 17.695 -31.498 17.853 1.00 12.32 H new ATOM 0 HE ARG A 45 19.978 -32.032 16.087 1.00 32.41 H new ATOM 0 HH11 ARG A 45 16.461 -31.892 16.448 1.00 54.35 H new ATOM 0 HH12 ARG A 45 16.171 -31.805 14.708 1.00 54.35 H new ATOM 0 HH21 ARG A 45 19.585 -31.949 13.849 1.00 35.41 H new ATOM 0 HH22 ARG A 45 17.927 -31.837 13.247 1.00 35.41 H new ATOM 719 N GLY A 46 15.866 -32.095 21.076 1.00 62.21 N ATOM 720 CA GLY A 46 14.914 -32.795 21.910 1.00 35.13 C ATOM 721 C GLY A 46 14.214 -31.862 22.879 1.00 50.42 C ATOM 722 O GLY A 46 13.765 -30.780 22.501 1.00 24.32 O ATOM 0 H GLY A 46 15.494 -31.773 20.182 1.00 62.21 H new ATOM 0 HA2 GLY A 46 14.172 -33.286 21.280 1.00 35.13 H new ATOM 0 HA3 GLY A 46 15.428 -33.578 22.468 1.00 35.13 H new ATOM 726 N GLU A 47 14.148 -32.269 24.136 1.00 62.41 N ATOM 727 CA GLU A 47 13.456 -31.500 25.161 1.00 21.42 C ATOM 728 C GLU A 47 14.429 -30.989 26.220 1.00 12.53 C ATOM 729 O GLU A 47 14.088 -30.880 27.399 1.00 4.41 O ATOM 730 CB GLU A 47 12.366 -32.355 25.800 1.00 22.13 C ATOM 731 CG GLU A 47 12.828 -33.750 26.181 1.00 11.01 C ATOM 732 CD GLU A 47 11.703 -34.600 26.723 1.00 54.23 C ATOM 733 OE1 GLU A 47 10.655 -34.705 26.051 1.00 31.03 O ATOM 734 OE2 GLU A 47 11.866 -35.178 27.816 1.00 71.43 O1- ATOM 0 H GLU A 47 14.568 -33.135 24.474 1.00 62.41 H new ATOM 0 HA GLU A 47 12.997 -30.631 24.690 1.00 21.42 H new ATOM 0 HB2 GLU A 47 11.996 -31.849 26.691 1.00 22.13 H new ATOM 0 HB3 GLU A 47 11.528 -32.436 25.108 1.00 22.13 H new ATOM 0 HG2 GLU A 47 13.260 -34.238 25.308 1.00 11.01 H new ATOM 0 HG3 GLU A 47 13.618 -33.677 26.929 1.00 11.01 H new ATOM 741 N ARG A 48 15.635 -30.653 25.781 1.00 3.22 N ATOM 742 CA ARG A 48 16.646 -30.094 26.666 1.00 11.31 C ATOM 743 C ARG A 48 16.516 -28.579 26.687 1.00 51.34 C ATOM 744 O ARG A 48 16.615 -27.930 25.647 1.00 74.21 O ATOM 745 CB ARG A 48 18.049 -30.489 26.193 1.00 14.32 C ATOM 746 CG ARG A 48 18.268 -31.991 26.131 1.00 42.31 C ATOM 747 CD ARG A 48 18.273 -32.620 27.516 1.00 42.54 C ATOM 748 NE ARG A 48 19.481 -32.289 28.271 1.00 62.44 N ATOM 749 CZ ARG A 48 19.958 -33.026 29.273 1.00 10.24 C ATOM 750 NH1 ARG A 48 19.314 -34.119 29.674 1.00 25.54 N1+ ATOM 751 NH2 ARG A 48 21.081 -32.665 29.879 1.00 20.12 N ATOM 0 H ARG A 48 15.937 -30.759 24.812 1.00 3.22 H new ATOM 0 HA ARG A 48 16.495 -30.488 27.671 1.00 11.31 H new ATOM 0 HB2 ARG A 48 18.224 -30.063 25.205 1.00 14.32 H new ATOM 0 HB3 ARG A 48 18.787 -30.050 26.864 1.00 14.32 H new ATOM 0 HG2 ARG A 48 17.484 -32.448 25.527 1.00 42.31 H new ATOM 0 HG3 ARG A 48 19.215 -32.200 25.634 1.00 42.31 H new ATOM 0 HD2 ARG A 48 17.397 -32.282 28.070 1.00 42.54 H new ATOM 0 HD3 ARG A 48 18.192 -33.703 27.421 1.00 42.54 H new ATOM 0 HE ARG A 48 19.989 -31.442 28.015 1.00 62.44 H new ATOM 0 HH11 ARG A 48 18.448 -34.398 29.213 1.00 25.54 H new ATOM 0 HH12 ARG A 48 19.686 -34.677 30.442 1.00 25.54 H new ATOM 0 HH21 ARG A 48 21.576 -31.826 29.578 1.00 20.12 H new ATOM 0 HH22 ARG A 48 21.450 -33.227 30.647 1.00 20.12 H new ATOM 765 N GLU A 49 16.270 -28.026 27.861 1.00 44.11 N ATOM 766 CA GLU A 49 16.099 -26.589 28.007 1.00 30.02 C ATOM 767 C GLU A 49 17.452 -25.894 28.011 1.00 63.13 C ATOM 768 O GLU A 49 18.454 -26.449 28.472 1.00 72.31 O ATOM 769 CB GLU A 49 15.345 -26.257 29.301 1.00 5.24 C ATOM 770 CG GLU A 49 14.114 -27.119 29.547 1.00 21.11 C ATOM 771 CD GLU A 49 14.424 -28.352 30.374 1.00 74.41 C ATOM 772 OE1 GLU A 49 13.999 -28.404 31.547 1.00 50.41 O ATOM 773 OE2 GLU A 49 15.109 -29.263 29.866 1.00 41.04 O1- ATOM 0 H GLU A 49 16.184 -28.551 28.731 1.00 44.11 H new ATOM 0 HA GLU A 49 15.513 -26.232 27.160 1.00 30.02 H new ATOM 0 HB2 GLU A 49 16.027 -26.369 30.144 1.00 5.24 H new ATOM 0 HB3 GLU A 49 15.042 -25.210 29.273 1.00 5.24 H new ATOM 0 HG2 GLU A 49 13.355 -26.525 30.056 1.00 21.11 H new ATOM 0 HG3 GLU A 49 13.691 -27.424 28.590 1.00 21.11 H new ATOM 780 N VAL A 50 17.484 -24.682 27.484 1.00 34.14 N ATOM 781 CA VAL A 50 18.722 -23.928 27.404 1.00 54.31 C ATOM 782 C VAL A 50 18.651 -22.677 28.270 1.00 4.42 C ATOM 783 O VAL A 50 17.586 -22.078 28.423 1.00 41.03 O ATOM 784 CB VAL A 50 19.049 -23.518 25.949 1.00 15.41 C ATOM 785 CG1 VAL A 50 19.124 -24.740 25.048 1.00 14.02 C ATOM 786 CG2 VAL A 50 18.030 -22.520 25.418 1.00 31.42 C ATOM 0 H VAL A 50 16.668 -24.200 27.106 1.00 34.14 H new ATOM 0 HA VAL A 50 19.514 -24.581 27.769 1.00 54.31 H new ATOM 0 HB VAL A 50 20.025 -23.033 25.950 1.00 15.41 H new ATOM 0 HG11 VAL A 50 19.355 -24.428 24.030 1.00 14.02 H new ATOM 0 HG12 VAL A 50 19.905 -25.410 25.408 1.00 14.02 H new ATOM 0 HG13 VAL A 50 18.166 -25.260 25.059 1.00 14.02 H new ATOM 0 HG21 VAL A 50 18.285 -22.250 24.393 1.00 31.42 H new ATOM 0 HG22 VAL A 50 17.037 -22.968 25.438 1.00 31.42 H new ATOM 0 HG23 VAL A 50 18.037 -21.626 26.042 1.00 31.42 H new ATOM 796 N VAL A 51 19.775 -22.294 28.850 1.00 23.20 N ATOM 797 CA VAL A 51 19.855 -21.026 29.551 1.00 2.24 C ATOM 798 C VAL A 51 20.630 -20.025 28.698 1.00 12.52 C ATOM 799 O VAL A 51 21.861 -20.013 28.662 1.00 73.23 O ATOM 800 CB VAL A 51 20.493 -21.179 30.957 1.00 35.20 C ATOM 801 CG1 VAL A 51 21.844 -21.876 30.885 1.00 24.00 C ATOM 802 CG2 VAL A 51 20.619 -19.828 31.647 1.00 4.13 C ATOM 0 H VAL A 51 20.638 -22.838 28.850 1.00 23.20 H new ATOM 0 HA VAL A 51 18.843 -20.655 29.710 1.00 2.24 H new ATOM 0 HB VAL A 51 19.829 -21.806 31.551 1.00 35.20 H new ATOM 0 HG11 VAL A 51 22.261 -21.966 31.888 1.00 24.00 H new ATOM 0 HG12 VAL A 51 21.718 -22.869 30.454 1.00 24.00 H new ATOM 0 HG13 VAL A 51 22.521 -21.293 30.261 1.00 24.00 H new ATOM 0 HG21 VAL A 51 21.069 -19.962 32.631 1.00 4.13 H new ATOM 0 HG22 VAL A 51 21.248 -19.170 31.047 1.00 4.13 H new ATOM 0 HG23 VAL A 51 19.630 -19.383 31.758 1.00 4.13 H new ATOM 812 N GLY A 52 19.889 -19.220 27.965 1.00 43.00 N ATOM 813 CA GLY A 52 20.495 -18.267 27.070 1.00 12.21 C ATOM 814 C GLY A 52 19.587 -17.090 26.808 1.00 21.54 C ATOM 815 O GLY A 52 18.427 -17.107 27.217 1.00 21.14 O ATOM 0 H GLY A 52 18.869 -19.209 27.974 1.00 43.00 H new ATOM 0 HA2 GLY A 52 21.434 -17.914 27.496 1.00 12.21 H new ATOM 0 HA3 GLY A 52 20.737 -18.757 26.127 1.00 12.21 H new ATOM 819 N PRO A 53 20.088 -16.053 26.130 1.00 41.45 N ATOM 820 CA PRO A 53 19.260 -14.945 25.652 1.00 13.20 C ATOM 821 C PRO A 53 18.438 -15.381 24.440 1.00 34.33 C ATOM 822 O PRO A 53 18.509 -14.779 23.364 1.00 53.40 O ATOM 823 CB PRO A 53 20.289 -13.884 25.261 1.00 30.31 C ATOM 824 CG PRO A 53 21.506 -14.659 24.896 1.00 70.42 C ATOM 825 CD PRO A 53 21.505 -15.885 25.770 1.00 22.42 C ATOM 0 HA PRO A 53 18.543 -14.588 26.391 1.00 13.20 H new ATOM 0 HB2 PRO A 53 19.938 -13.280 24.424 1.00 30.31 H new ATOM 0 HB3 PRO A 53 20.487 -13.200 26.087 1.00 30.31 H new ATOM 0 HG2 PRO A 53 21.490 -14.934 23.841 1.00 70.42 H new ATOM 0 HG3 PRO A 53 22.407 -14.067 25.058 1.00 70.42 H new ATOM 0 HD2 PRO A 53 21.890 -16.756 25.239 1.00 22.42 H new ATOM 0 HD3 PRO A 53 22.129 -15.748 26.653 1.00 22.42 H new ATOM 833 N LYS A 54 17.662 -16.438 24.632 1.00 53.33 N ATOM 834 CA LYS A 54 16.947 -17.075 23.542 1.00 53.43 C ATOM 835 C LYS A 54 15.701 -16.289 23.149 1.00 54.24 C ATOM 836 O LYS A 54 14.598 -16.542 23.630 1.00 72.35 O ATOM 837 CB LYS A 54 16.575 -18.513 23.929 1.00 14.34 C ATOM 838 CG LYS A 54 15.876 -18.623 25.279 1.00 2.25 C ATOM 839 CD LYS A 54 15.321 -20.016 25.516 1.00 62.01 C ATOM 840 CE LYS A 54 14.435 -20.054 26.751 1.00 22.54 C ATOM 841 NZ LYS A 54 13.722 -21.352 26.886 1.00 20.32 N1+ ATOM 0 H LYS A 54 17.513 -16.874 25.542 1.00 53.33 H new ATOM 0 HA LYS A 54 17.606 -17.096 22.674 1.00 53.43 H new ATOM 0 HB2 LYS A 54 15.927 -18.931 23.159 1.00 14.34 H new ATOM 0 HB3 LYS A 54 17.480 -19.120 23.948 1.00 14.34 H new ATOM 0 HG2 LYS A 54 16.579 -18.372 26.073 1.00 2.25 H new ATOM 0 HG3 LYS A 54 15.066 -17.896 25.329 1.00 2.25 H new ATOM 0 HD2 LYS A 54 14.749 -20.335 24.645 1.00 62.01 H new ATOM 0 HD3 LYS A 54 16.143 -20.722 25.633 1.00 62.01 H new ATOM 0 HE2 LYS A 54 15.043 -19.880 27.639 1.00 22.54 H new ATOM 0 HE3 LYS A 54 13.707 -19.244 26.700 1.00 22.54 H new ATOM 0 HZ1 LYS A 54 12.845 -21.212 27.427 1.00 20.32 H new ATOM 0 HZ2 LYS A 54 13.491 -21.721 25.942 1.00 20.32 H new ATOM 0 HZ3 LYS A 54 14.331 -22.032 27.384 1.00 20.32 H new ATOM 855 N VAL A 55 15.898 -15.323 22.276 1.00 2.14 N ATOM 856 CA VAL A 55 14.797 -14.598 21.680 1.00 11.43 C ATOM 857 C VAL A 55 15.271 -13.871 20.429 1.00 43.22 C ATOM 858 O VAL A 55 16.278 -13.162 20.454 1.00 65.24 O ATOM 859 CB VAL A 55 14.157 -13.595 22.675 1.00 34.24 C ATOM 860 CG1 VAL A 55 15.183 -12.602 23.208 1.00 71.14 C ATOM 861 CG2 VAL A 55 12.984 -12.866 22.029 1.00 74.12 C ATOM 0 H VAL A 55 16.820 -15.020 21.962 1.00 2.14 H new ATOM 0 HA VAL A 55 14.029 -15.323 21.410 1.00 11.43 H new ATOM 0 HB VAL A 55 13.782 -14.168 23.523 1.00 34.24 H new ATOM 0 HG11 VAL A 55 14.698 -11.915 23.902 1.00 71.14 H new ATOM 0 HG12 VAL A 55 15.976 -13.141 23.726 1.00 71.14 H new ATOM 0 HG13 VAL A 55 15.609 -12.038 22.378 1.00 71.14 H new ATOM 0 HG21 VAL A 55 12.551 -12.168 22.745 1.00 74.12 H new ATOM 0 HG22 VAL A 55 13.334 -12.318 21.154 1.00 74.12 H new ATOM 0 HG23 VAL A 55 12.228 -13.590 21.725 1.00 74.12 H new ATOM 871 N ARG A 56 14.566 -14.069 19.335 1.00 3.44 N ATOM 872 CA ARG A 56 14.845 -13.342 18.112 1.00 30.34 C ATOM 873 C ARG A 56 13.634 -12.512 17.748 1.00 34.22 C ATOM 874 O ARG A 56 12.547 -13.054 17.547 1.00 45.24 O ATOM 875 CB ARG A 56 15.164 -14.290 16.958 1.00 31.13 C ATOM 876 CG ARG A 56 16.385 -15.164 17.164 1.00 60.22 C ATOM 877 CD ARG A 56 17.676 -14.370 17.097 1.00 12.52 C ATOM 878 NE ARG A 56 18.833 -15.257 16.989 1.00 73.32 N ATOM 879 CZ ARG A 56 19.898 -15.202 17.786 1.00 41.54 C ATOM 880 NH1 ARG A 56 19.967 -14.300 18.751 1.00 41.24 N1+ ATOM 881 NH2 ARG A 56 20.891 -16.063 17.621 1.00 53.04 N ATOM 0 H ARG A 56 13.792 -14.730 19.267 1.00 3.44 H new ATOM 0 HA ARG A 56 15.714 -12.706 18.281 1.00 30.34 H new ATOM 0 HB2 ARG A 56 14.301 -14.933 16.787 1.00 31.13 H new ATOM 0 HB3 ARG A 56 15.307 -13.700 16.052 1.00 31.13 H new ATOM 0 HG2 ARG A 56 16.315 -15.660 18.132 1.00 60.22 H new ATOM 0 HG3 ARG A 56 16.402 -15.946 16.405 1.00 60.22 H new ATOM 0 HD2 ARG A 56 17.649 -13.697 16.240 1.00 12.52 H new ATOM 0 HD3 ARG A 56 17.772 -13.749 17.988 1.00 12.52 H new ATOM 0 HE ARG A 56 18.824 -15.965 16.255 1.00 73.32 H new ATOM 0 HH11 ARG A 56 19.201 -13.641 18.888 1.00 41.24 H new ATOM 0 HH12 ARG A 56 20.786 -14.264 19.358 1.00 41.24 H new ATOM 0 HH21 ARG A 56 20.839 -16.767 16.884 1.00 53.04 H new ATOM 0 HH22 ARG A 56 21.708 -16.022 18.231 1.00 53.04 H new ATOM 895 N LYS A 57 13.811 -11.210 17.684 1.00 33.31 N ATOM 896 CA LYS A 57 12.730 -10.322 17.316 1.00 4.11 C ATOM 897 C LYS A 57 12.933 -9.842 15.889 1.00 15.33 C ATOM 898 O LYS A 57 13.967 -9.252 15.571 1.00 3.22 O ATOM 899 CB LYS A 57 12.679 -9.136 18.284 1.00 43.11 C ATOM 900 CG LYS A 57 11.503 -8.198 18.067 1.00 71.30 C ATOM 901 CD LYS A 57 11.626 -6.956 18.937 1.00 14.43 C ATOM 902 CE LYS A 57 11.689 -7.304 20.418 1.00 11.33 C ATOM 903 NZ LYS A 57 12.012 -6.118 21.254 1.00 52.31 N1+ ATOM 0 H LYS A 57 14.695 -10.742 17.883 1.00 33.31 H new ATOM 0 HA LYS A 57 11.781 -10.855 17.375 1.00 4.11 H new ATOM 0 HB2 LYS A 57 12.640 -9.517 19.304 1.00 43.11 H new ATOM 0 HB3 LYS A 57 13.604 -8.567 18.191 1.00 43.11 H new ATOM 0 HG2 LYS A 57 11.454 -7.907 17.018 1.00 71.30 H new ATOM 0 HG3 LYS A 57 10.573 -8.717 18.298 1.00 71.30 H new ATOM 0 HD2 LYS A 57 12.522 -6.403 18.656 1.00 14.43 H new ATOM 0 HD3 LYS A 57 10.776 -6.299 18.754 1.00 14.43 H new ATOM 0 HE2 LYS A 57 10.733 -7.721 20.734 1.00 11.33 H new ATOM 0 HE3 LYS A 57 12.442 -8.076 20.578 1.00 11.33 H new ATOM 0 HZ1 LYS A 57 12.045 -6.398 22.255 1.00 52.31 H new ATOM 0 HZ2 LYS A 57 12.936 -5.735 20.971 1.00 52.31 H new ATOM 0 HZ3 LYS A 57 11.281 -5.391 21.122 1.00 52.31 H new ATOM 917 N CYS A 58 11.971 -10.125 15.028 1.00 72.13 N ATOM 918 CA CYS A 58 12.071 -9.724 13.636 1.00 62.31 C ATOM 919 C CYS A 58 11.730 -8.248 13.494 1.00 74.10 C ATOM 920 O CYS A 58 10.733 -7.772 14.043 1.00 14.35 O ATOM 921 CB CYS A 58 11.157 -10.573 12.754 1.00 65.03 C ATOM 922 SG CYS A 58 11.484 -10.393 10.973 1.00 34.12 S ATOM 0 H CYS A 58 11.116 -10.628 15.266 1.00 72.13 H new ATOM 0 HA CYS A 58 13.097 -9.883 13.304 1.00 62.31 H new ATOM 0 HB2 CYS A 58 11.271 -11.621 13.031 1.00 65.03 H new ATOM 0 HB3 CYS A 58 10.120 -10.302 12.953 1.00 65.03 H new ATOM 927 N LEU A 59 12.559 -7.530 12.757 1.00 20.31 N ATOM 928 CA LEU A 59 12.433 -6.086 12.648 1.00 35.20 C ATOM 929 C LEU A 59 12.133 -5.675 11.213 1.00 35.41 C ATOM 930 O LEU A 59 11.992 -6.522 10.334 1.00 75.32 O ATOM 931 CB LEU A 59 13.718 -5.417 13.132 1.00 75.13 C ATOM 932 CG LEU A 59 14.095 -5.717 14.584 1.00 73.02 C ATOM 933 CD1 LEU A 59 15.447 -5.114 14.921 1.00 24.20 C ATOM 934 CD2 LEU A 59 13.028 -5.194 15.537 1.00 11.24 C ATOM 0 H LEU A 59 13.332 -7.926 12.222 1.00 20.31 H new ATOM 0 HA LEU A 59 11.602 -5.761 13.274 1.00 35.20 H new ATOM 0 HB2 LEU A 59 14.539 -5.731 12.487 1.00 75.13 H new ATOM 0 HB3 LEU A 59 13.615 -4.338 13.014 1.00 75.13 H new ATOM 0 HG LEU A 59 14.160 -6.799 14.701 1.00 73.02 H new ATOM 0 HD11 LEU A 59 15.697 -5.338 15.958 1.00 24.20 H new ATOM 0 HD12 LEU A 59 16.208 -5.537 14.265 1.00 24.20 H new ATOM 0 HD13 LEU A 59 15.408 -4.033 14.783 1.00 24.20 H new ATOM 0 HD21 LEU A 59 13.316 -5.418 16.564 1.00 11.24 H new ATOM 0 HD22 LEU A 59 12.928 -4.115 15.415 1.00 11.24 H new ATOM 0 HD23 LEU A 59 12.075 -5.674 15.315 1.00 11.24 H new ATOM 946 N ALA A 60 12.024 -4.368 10.984 1.00 33.55 N ATOM 947 CA ALA A 60 11.761 -3.848 9.649 1.00 14.42 C ATOM 948 C ALA A 60 13.028 -3.879 8.805 1.00 34.01 C ATOM 949 O ALA A 60 12.997 -3.625 7.603 1.00 3.23 O ATOM 950 CB ALA A 60 11.202 -2.437 9.725 1.00 21.55 C ATOM 0 H ALA A 60 12.114 -3.653 11.706 1.00 33.55 H new ATOM 0 HA ALA A 60 11.016 -4.485 9.173 1.00 14.42 H new ATOM 0 HB1 ALA A 60 11.012 -2.066 8.718 1.00 21.55 H new ATOM 0 HB2 ALA A 60 10.270 -2.445 10.290 1.00 21.55 H new ATOM 0 HB3 ALA A 60 11.922 -1.787 10.221 1.00 21.55 H new ATOM 956 N ASN A 61 14.148 -4.171 9.452 1.00 62.21 N ATOM 957 CA ASN A 61 15.402 -4.389 8.752 1.00 25.33 C ATOM 958 C ASN A 61 15.583 -5.879 8.501 1.00 24.31 C ATOM 959 O ASN A 61 15.078 -6.705 9.261 1.00 33.40 O ATOM 960 CB ASN A 61 16.590 -3.816 9.545 1.00 32.31 C ATOM 961 CG ASN A 61 16.610 -4.254 11.001 1.00 74.35 C ATOM 962 OD1 ASN A 61 16.036 -3.591 11.867 1.00 1.31 O ATOM 963 ND2 ASN A 61 17.283 -5.357 11.286 1.00 4.55 N ATOM 0 H ASN A 61 14.211 -4.262 10.466 1.00 62.21 H new ATOM 0 HA ASN A 61 15.370 -3.865 7.797 1.00 25.33 H new ATOM 0 HB2 ASN A 61 17.520 -4.125 9.067 1.00 32.31 H new ATOM 0 HB3 ASN A 61 16.556 -2.727 9.501 1.00 32.31 H new ATOM 0 HD21 ASN A 61 17.340 -5.685 12.250 1.00 4.55 H new ATOM 0 HD22 ASN A 61 17.745 -5.879 10.542 1.00 4.55 H new ATOM 970 N GLY A 62 16.297 -6.216 7.438 1.00 21.23 N ATOM 971 CA GLY A 62 16.425 -7.606 7.029 1.00 43.34 C ATOM 972 C GLY A 62 17.403 -8.404 7.872 1.00 30.15 C ATOM 973 O GLY A 62 18.310 -9.047 7.337 1.00 74.22 O ATOM 0 H GLY A 62 16.794 -5.550 6.846 1.00 21.23 H new ATOM 0 HA2 GLY A 62 15.445 -8.081 7.078 1.00 43.34 H new ATOM 0 HA3 GLY A 62 16.745 -7.641 5.987 1.00 43.34 H new ATOM 977 N SER A 63 17.201 -8.388 9.178 1.00 32.44 N ATOM 978 CA SER A 63 18.024 -9.150 10.101 1.00 55.04 C ATOM 979 C SER A 63 17.355 -9.182 11.466 1.00 64.31 C ATOM 980 O SER A 63 16.578 -8.288 11.801 1.00 34.44 O ATOM 981 CB SER A 63 19.427 -8.539 10.206 1.00 2.41 C ATOM 982 OG SER A 63 19.373 -7.180 10.612 1.00 62.04 O ATOM 0 H SER A 63 16.463 -7.847 9.628 1.00 32.44 H new ATOM 0 HA SER A 63 18.128 -10.169 9.727 1.00 55.04 H new ATOM 0 HB2 SER A 63 20.021 -9.110 10.920 1.00 2.41 H new ATOM 0 HB3 SER A 63 19.930 -8.612 9.242 1.00 2.41 H new ATOM 0 HG SER A 63 20.283 -6.820 10.671 1.00 62.04 H new ATOM 988 N TRP A 64 17.645 -10.210 12.246 1.00 43.33 N ATOM 989 CA TRP A 64 17.085 -10.321 13.581 1.00 43.33 C ATOM 990 C TRP A 64 17.790 -9.344 14.521 1.00 14.23 C ATOM 991 O TRP A 64 18.845 -8.806 14.180 1.00 63.32 O ATOM 992 CB TRP A 64 17.207 -11.758 14.095 1.00 65.43 C ATOM 993 CG TRP A 64 16.498 -12.760 13.226 1.00 63.21 C ATOM 994 CD1 TRP A 64 17.029 -13.461 12.179 1.00 40.32 C ATOM 995 CD2 TRP A 64 15.126 -13.169 13.323 1.00 51.21 C ATOM 996 NE1 TRP A 64 16.074 -14.278 11.623 1.00 61.14 N ATOM 997 CE2 TRP A 64 14.899 -14.118 12.308 1.00 3.21 C ATOM 998 CE3 TRP A 64 14.071 -12.829 14.172 1.00 55.00 C ATOM 999 CZ2 TRP A 64 13.659 -14.726 12.121 1.00 45.44 C ATOM 1000 CZ3 TRP A 64 12.842 -13.433 13.985 1.00 13.34 C ATOM 1001 CH2 TRP A 64 12.645 -14.372 12.968 1.00 30.45 C ATOM 0 H TRP A 64 18.263 -10.976 11.979 1.00 43.33 H new ATOM 0 HA TRP A 64 16.026 -10.066 13.545 1.00 43.33 H new ATOM 0 HB2 TRP A 64 18.262 -12.025 14.160 1.00 65.43 H new ATOM 0 HB3 TRP A 64 16.801 -11.811 15.105 1.00 65.43 H new ATOM 0 HD1 TRP A 64 18.051 -13.384 11.838 1.00 40.32 H new ATOM 0 HE1 TRP A 64 16.217 -14.902 10.829 1.00 61.14 H new ATOM 0 HE3 TRP A 64 14.213 -12.106 14.962 1.00 55.00 H new ATOM 0 HZ2 TRP A 64 13.504 -15.451 11.335 1.00 45.44 H new ATOM 0 HZ3 TRP A 64 12.020 -13.175 14.636 1.00 13.34 H new ATOM 0 HH2 TRP A 64 11.673 -14.827 12.849 1.00 30.45 H new ATOM 1012 N THR A 65 17.199 -9.123 15.690 1.00 64.24 N ATOM 1013 CA THR A 65 17.712 -8.167 16.671 1.00 62.45 C ATOM 1014 C THR A 65 19.201 -8.361 16.976 1.00 71.12 C ATOM 1015 O THR A 65 19.948 -7.388 17.088 1.00 30.41 O ATOM 1016 CB THR A 65 16.907 -8.261 17.977 1.00 0.54 C ATOM 1017 OG1 THR A 65 16.466 -9.614 18.180 1.00 14.20 O ATOM 1018 CG2 THR A 65 15.710 -7.327 17.944 1.00 4.51 C ATOM 0 H THR A 65 16.349 -9.602 15.987 1.00 64.24 H new ATOM 0 HA THR A 65 17.598 -7.178 16.227 1.00 62.45 H new ATOM 0 HB THR A 65 17.553 -7.961 18.802 1.00 0.54 H new ATOM 0 HG1 THR A 65 15.955 -9.670 19.014 1.00 14.20 H new ATOM 0 HG21 THR A 65 15.156 -7.412 18.879 1.00 4.51 H new ATOM 0 HG22 THR A 65 16.053 -6.300 17.817 1.00 4.51 H new ATOM 0 HG23 THR A 65 15.060 -7.598 17.112 1.00 4.51 H new ATOM 1026 N ASP A 66 19.617 -9.610 17.128 1.00 71.12 N ATOM 1027 CA ASP A 66 21.020 -9.934 17.377 1.00 34.33 C ATOM 1028 C ASP A 66 21.289 -11.370 16.973 1.00 13.42 C ATOM 1029 O ASP A 66 21.398 -12.241 17.829 1.00 3.12 O ATOM 1030 CB ASP A 66 21.367 -9.752 18.863 1.00 63.41 C ATOM 1031 CG ASP A 66 22.817 -10.073 19.182 1.00 40.15 C ATOM 1032 OD1 ASP A 66 23.708 -9.327 18.726 1.00 25.14 O ATOM 1033 OD2 ASP A 66 23.070 -11.059 19.911 1.00 24.04 O1- ATOM 0 H ASP A 66 19.001 -10.422 17.083 1.00 71.12 H new ATOM 0 HA ASP A 66 21.640 -9.258 16.787 1.00 34.33 H new ATOM 0 HB2 ASP A 66 21.156 -8.723 19.155 1.00 63.41 H new ATOM 0 HB3 ASP A 66 20.719 -10.392 19.462 1.00 63.41 H new ATOM 1038 N MET A 67 21.372 -11.647 15.680 1.00 22.12 N ATOM 1039 CA MET A 67 21.486 -13.034 15.267 1.00 54.13 C ATOM 1040 C MET A 67 22.946 -13.483 15.209 1.00 53.22 C ATOM 1041 O MET A 67 23.581 -13.505 14.155 1.00 32.02 O ATOM 1042 CB MET A 67 20.776 -13.265 13.924 1.00 11.22 C ATOM 1043 CG MET A 67 21.275 -12.385 12.785 1.00 72.34 C ATOM 1044 SD MET A 67 20.325 -12.622 11.268 1.00 2.02 S ATOM 1045 CE MET A 67 21.326 -11.712 10.094 1.00 10.45 C ATOM 0 H MET A 67 21.363 -10.959 14.927 1.00 22.12 H new ATOM 0 HA MET A 67 20.989 -13.647 16.019 1.00 54.13 H new ATOM 0 HB2 MET A 67 20.897 -14.310 13.639 1.00 11.22 H new ATOM 0 HB3 MET A 67 19.708 -13.093 14.058 1.00 11.22 H new ATOM 0 HG2 MET A 67 21.219 -11.339 13.086 1.00 72.34 H new ATOM 0 HG3 MET A 67 22.325 -12.606 12.592 1.00 72.34 H new ATOM 0 HE1 MET A 67 20.751 -11.537 9.185 1.00 10.45 H new ATOM 0 HE2 MET A 67 21.618 -10.756 10.529 1.00 10.45 H new ATOM 0 HE3 MET A 67 22.219 -12.289 9.853 1.00 10.45 H new ATOM 1055 N ASP A 68 23.465 -13.800 16.385 1.00 24.31 N ATOM 1056 CA ASP A 68 24.689 -14.571 16.555 1.00 2.01 C ATOM 1057 C ASP A 68 24.783 -14.973 18.012 1.00 63.14 C ATOM 1058 O ASP A 68 25.326 -14.233 18.834 1.00 55.15 O ATOM 1059 CB ASP A 68 25.937 -13.790 16.126 1.00 13.54 C ATOM 1060 CG ASP A 68 27.208 -14.602 16.285 1.00 11.43 C ATOM 1061 OD1 ASP A 68 28.066 -14.223 17.116 1.00 34.44 O ATOM 1062 OD2 ASP A 68 27.359 -15.627 15.587 1.00 51.53 O1- ATOM 0 H ASP A 68 23.038 -13.522 17.269 1.00 24.31 H new ATOM 0 HA ASP A 68 24.649 -15.450 15.912 1.00 2.01 H new ATOM 0 HB2 ASP A 68 25.832 -13.485 15.085 1.00 13.54 H new ATOM 0 HB3 ASP A 68 26.014 -12.879 16.719 1.00 13.54 H new ATOM 1067 N THR A 69 24.211 -16.109 18.352 1.00 35.52 N ATOM 1068 CA THR A 69 24.049 -16.462 19.752 1.00 74.33 C ATOM 1069 C THR A 69 23.874 -17.966 19.925 1.00 61.54 C ATOM 1070 O THR A 69 22.902 -18.542 19.436 1.00 13.04 O ATOM 1071 CB THR A 69 22.811 -15.752 20.345 1.00 11.41 C ATOM 1072 OG1 THR A 69 22.558 -14.518 19.658 1.00 32.14 O ATOM 1073 CG2 THR A 69 23.002 -15.456 21.819 1.00 22.51 C ATOM 0 H THR A 69 23.854 -16.798 17.690 1.00 35.52 H new ATOM 0 HA THR A 69 24.951 -16.143 20.275 1.00 74.33 H new ATOM 0 HB THR A 69 21.963 -16.425 20.221 1.00 11.41 H new ATOM 0 HG1 THR A 69 22.446 -13.797 20.312 1.00 32.14 H new ATOM 0 HG21 THR A 69 22.115 -14.956 22.208 1.00 22.51 H new ATOM 0 HG22 THR A 69 23.160 -16.389 22.360 1.00 22.51 H new ATOM 0 HG23 THR A 69 23.869 -14.809 21.951 1.00 22.51 H new ATOM 1081 N PRO A 70 24.825 -18.624 20.601 1.00 34.41 N ATOM 1082 CA PRO A 70 24.712 -20.037 20.935 1.00 42.43 C ATOM 1083 C PRO A 70 23.855 -20.259 22.179 1.00 23.34 C ATOM 1084 O PRO A 70 24.104 -19.672 23.235 1.00 64.14 O ATOM 1085 CB PRO A 70 26.162 -20.449 21.188 1.00 61.51 C ATOM 1086 CG PRO A 70 26.847 -19.209 21.659 1.00 11.35 C ATOM 1087 CD PRO A 70 26.092 -18.039 21.078 1.00 41.03 C ATOM 0 HA PRO A 70 24.226 -20.617 20.150 1.00 42.43 H new ATOM 0 HB2 PRO A 70 26.222 -21.240 21.936 1.00 61.51 H new ATOM 0 HB3 PRO A 70 26.626 -20.834 20.280 1.00 61.51 H new ATOM 0 HG2 PRO A 70 26.853 -19.162 22.748 1.00 11.35 H new ATOM 0 HG3 PRO A 70 27.887 -19.196 21.334 1.00 11.35 H new ATOM 0 HD2 PRO A 70 25.917 -17.267 21.827 1.00 41.03 H new ATOM 0 HD3 PRO A 70 26.646 -17.573 20.264 1.00 41.03 H new ATOM 1095 N SER A 71 22.827 -21.082 22.050 1.00 21.45 N ATOM 1096 CA SER A 71 21.973 -21.400 23.176 1.00 53.41 C ATOM 1097 C SER A 71 22.624 -22.478 24.040 1.00 14.12 C ATOM 1098 O SER A 71 23.127 -23.481 23.531 1.00 73.30 O ATOM 1099 CB SER A 71 20.598 -21.832 22.678 1.00 41.55 C ATOM 1100 OG SER A 71 20.714 -22.789 21.639 1.00 70.34 O ATOM 0 H SER A 71 22.566 -21.540 21.177 1.00 21.45 H new ATOM 0 HA SER A 71 21.842 -20.513 23.796 1.00 53.41 H new ATOM 0 HB2 SER A 71 20.024 -22.253 23.503 1.00 41.55 H new ATOM 0 HB3 SER A 71 20.048 -20.963 22.318 1.00 41.55 H new ATOM 0 HG SER A 71 19.832 -23.170 21.446 1.00 70.34 H new ATOM 1106 N ARG A 72 22.627 -22.261 25.345 1.00 45.03 N ATOM 1107 CA ARG A 72 23.376 -23.117 26.250 1.00 4.44 C ATOM 1108 C ARG A 72 22.485 -24.196 26.860 1.00 75.30 C ATOM 1109 O ARG A 72 21.746 -23.932 27.808 1.00 23.40 O ATOM 1110 CB ARG A 72 24.005 -22.267 27.355 1.00 34.44 C ATOM 1111 CG ARG A 72 24.637 -20.980 26.845 1.00 12.31 C ATOM 1112 CD ARG A 72 25.290 -20.200 27.970 1.00 24.33 C ATOM 1113 NE ARG A 72 26.445 -20.909 28.516 1.00 52.22 N ATOM 1114 CZ ARG A 72 26.692 -21.052 29.816 1.00 64.42 C ATOM 1115 NH1 ARG A 72 25.844 -20.559 30.716 1.00 45.44 N1+ ATOM 1116 NH2 ARG A 72 27.786 -21.687 30.217 1.00 31.31 N ATOM 0 H ARG A 72 22.121 -21.502 25.800 1.00 45.03 H new ATOM 0 HA ARG A 72 24.160 -23.616 25.681 1.00 4.44 H new ATOM 0 HB2 ARG A 72 23.241 -22.020 28.092 1.00 34.44 H new ATOM 0 HB3 ARG A 72 24.764 -22.857 27.868 1.00 34.44 H new ATOM 0 HG2 ARG A 72 25.381 -21.215 26.084 1.00 12.31 H new ATOM 0 HG3 ARG A 72 23.876 -20.364 26.367 1.00 12.31 H new ATOM 0 HD2 ARG A 72 25.603 -19.223 27.602 1.00 24.33 H new ATOM 0 HD3 ARG A 72 24.562 -20.025 28.762 1.00 24.33 H new ATOM 0 HE ARG A 72 27.106 -21.322 27.857 1.00 52.22 H new ATOM 0 HH11 ARG A 72 25.003 -20.070 30.410 1.00 45.44 H new ATOM 0 HH12 ARG A 72 26.036 -20.670 31.712 1.00 45.44 H new ATOM 0 HH21 ARG A 72 28.437 -22.065 29.529 1.00 31.31 H new ATOM 0 HH22 ARG A 72 27.976 -21.797 31.213 1.00 31.31 H new ATOM 1130 N CYS A 73 22.548 -25.401 26.301 1.00 4.41 N ATOM 1131 CA CYS A 73 21.780 -26.534 26.816 1.00 74.22 C ATOM 1132 C CYS A 73 22.332 -26.958 28.175 1.00 15.32 C ATOM 1133 O CYS A 73 23.372 -27.617 28.247 1.00 21.44 O ATOM 1134 CB CYS A 73 21.853 -27.714 25.841 1.00 72.10 C ATOM 1135 SG CYS A 73 21.631 -27.259 24.088 1.00 53.24 S ATOM 0 H CYS A 73 23.125 -25.620 25.489 1.00 4.41 H new ATOM 0 HA CYS A 73 20.739 -26.230 26.926 1.00 74.22 H new ATOM 0 HB2 CYS A 73 22.819 -28.206 25.957 1.00 72.10 H new ATOM 0 HB3 CYS A 73 21.090 -28.443 26.114 1.00 72.10 H new ATOM 1140 N VAL A 74 21.649 -26.569 29.249 1.00 70.53 N ATOM 1141 CA VAL A 74 22.161 -26.804 30.593 1.00 64.52 C ATOM 1142 C VAL A 74 21.073 -27.308 31.533 1.00 43.42 C ATOM 1143 O VAL A 74 20.059 -26.638 31.750 1.00 34.31 O ATOM 1144 CB VAL A 74 22.784 -25.523 31.201 1.00 54.13 C ATOM 1145 CG1 VAL A 74 23.273 -25.775 32.621 1.00 11.41 C ATOM 1146 CG2 VAL A 74 23.923 -25.005 30.336 1.00 43.31 C ATOM 0 H VAL A 74 20.747 -26.094 29.214 1.00 70.53 H new ATOM 0 HA VAL A 74 22.932 -27.568 30.492 1.00 64.52 H new ATOM 0 HB VAL A 74 22.005 -24.762 31.235 1.00 54.13 H new ATOM 0 HG11 VAL A 74 23.706 -24.860 33.025 1.00 11.41 H new ATOM 0 HG12 VAL A 74 22.435 -26.086 33.245 1.00 11.41 H new ATOM 0 HG13 VAL A 74 24.029 -26.560 32.612 1.00 11.41 H new ATOM 0 HG21 VAL A 74 24.342 -24.105 30.787 1.00 43.31 H new ATOM 0 HG22 VAL A 74 24.698 -25.768 30.260 1.00 43.31 H new ATOM 0 HG23 VAL A 74 23.546 -24.771 29.340 1.00 43.31 H new ATOM 1156 N ARG A 75 21.291 -28.496 32.077 1.00 64.45 N ATOM 1157 CA ARG A 75 20.450 -29.029 33.138 1.00 54.13 C ATOM 1158 C ARG A 75 21.295 -29.302 34.374 1.00 45.21 C ATOM 1159 O ARG A 75 21.222 -28.514 35.334 1.00 37.22 O ATOM 1160 CB ARG A 75 19.746 -30.317 32.703 1.00 55.34 C ATOM 1161 CG ARG A 75 18.472 -30.096 31.904 1.00 43.51 C ATOM 1162 CD ARG A 75 17.743 -31.409 31.676 1.00 51.22 C ATOM 1163 NE ARG A 75 16.418 -31.220 31.094 1.00 74.41 N ATOM 1164 CZ ARG A 75 15.441 -32.117 31.167 1.00 23.14 C ATOM 1165 NH1 ARG A 75 15.600 -33.224 31.879 1.00 33.54 N1+ ATOM 1166 NH2 ARG A 75 14.291 -31.886 30.550 1.00 4.05 N ATOM 1167 OXT ARG A 75 22.057 -30.291 34.366 1.00 37.22 O ATOM 0 H ARG A 75 22.052 -29.115 31.797 1.00 64.45 H new ATOM 0 HA ARG A 75 19.686 -28.286 33.366 1.00 54.13 H new ATOM 0 HB2 ARG A 75 20.437 -30.911 32.105 1.00 55.34 H new ATOM 0 HB3 ARG A 75 19.507 -30.904 33.590 1.00 55.34 H new ATOM 0 HG2 ARG A 75 17.821 -29.401 32.434 1.00 43.51 H new ATOM 0 HG3 ARG A 75 18.714 -29.638 30.945 1.00 43.51 H new ATOM 0 HD2 ARG A 75 18.338 -32.042 31.018 1.00 51.22 H new ATOM 0 HD3 ARG A 75 17.647 -31.937 32.625 1.00 51.22 H new ATOM 0 HE ARG A 75 16.231 -30.347 30.602 1.00 74.41 H new ATOM 0 HH11 ARG A 75 16.476 -33.390 32.374 1.00 33.54 H new ATOM 0 HH12 ARG A 75 14.846 -33.909 31.931 1.00 33.54 H new ATOM 0 HH21 ARG A 75 14.160 -31.023 30.022 1.00 4.05 H new ATOM 0 HH22 ARG A 75 13.537 -32.571 30.603 1.00 4.05 H new