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 63 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 67 MET CE :methyl -106:sc= -0.437 (180deg=-1.04) USER MOD Single : A 4 SER OG : rot 28:sc= 0.00352 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.096 F(o=-1.6!,f=-0.096) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0896 USER MOD Single : A 27 GLN :FLIP amide:sc= -0.0295 F(o=-1.1,f=-0.03) USER MOD Single : A 29 LYS NZ :NH3+ -170:sc= 0.001 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot -100:sc= -0.27 USER MOD Single : A 42 TYR OH : rot 130:sc= 0.448 USER MOD Single : A 54 LYS NZ :NH3+ 158:sc= 1.18 (180deg=0.887) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.362 USER MOD Single : A 69 THR OG1 : rot -130:sc= 0.842 USER MOD Single : A 71 SER OG : rot 48:sc= 0.173 USER MOD ----------------------------------------------------------------- ATOM 38 N SER A 4 6.707 -5.584 2.069 1.00 71.02 N ATOM 39 CA SER A 4 7.291 -6.872 2.394 1.00 42.34 C ATOM 40 C SER A 4 8.499 -6.671 3.298 1.00 25.41 C ATOM 41 O SER A 4 9.590 -6.332 2.840 1.00 72.11 O ATOM 42 CB SER A 4 7.685 -7.632 1.126 1.00 74.12 C ATOM 43 OG SER A 4 6.537 -8.012 0.383 1.00 34.13 O ATOM 0 HA SER A 4 6.548 -7.471 2.920 1.00 42.34 H new ATOM 0 HB2 SER A 4 8.331 -7.007 0.509 1.00 74.12 H new ATOM 0 HB3 SER A 4 8.260 -8.519 1.393 1.00 74.12 H new ATOM 0 HG SER A 4 5.810 -7.378 0.557 1.00 34.13 H new ATOM 49 N GLU A 5 8.285 -6.849 4.588 1.00 73.11 N ATOM 50 CA GLU A 5 9.344 -6.697 5.568 1.00 2.22 C ATOM 51 C GLU A 5 9.424 -7.950 6.417 1.00 63.11 C ATOM 52 O GLU A 5 8.523 -8.229 7.216 1.00 33.12 O ATOM 53 CB GLU A 5 9.086 -5.477 6.452 1.00 74.03 C ATOM 54 CG GLU A 5 8.870 -4.193 5.672 1.00 3.23 C ATOM 55 CD GLU A 5 8.727 -2.982 6.566 1.00 61.35 C ATOM 56 OE1 GLU A 5 9.659 -2.149 6.598 1.00 21.51 O ATOM 57 OE2 GLU A 5 7.681 -2.851 7.233 1.00 22.25 O1- ATOM 0 H GLU A 5 7.379 -7.101 4.984 1.00 73.11 H new ATOM 0 HA GLU A 5 10.291 -6.548 5.050 1.00 2.22 H new ATOM 0 HB2 GLU A 5 8.210 -5.667 7.072 1.00 74.03 H new ATOM 0 HB3 GLU A 5 9.931 -5.344 7.127 1.00 74.03 H new ATOM 0 HG2 GLU A 5 9.709 -4.040 4.993 1.00 3.23 H new ATOM 0 HG3 GLU A 5 7.976 -4.293 5.057 1.00 3.23 H new ATOM 64 N GLY A 6 10.479 -8.717 6.226 1.00 13.15 N ATOM 65 CA GLY A 6 10.600 -9.964 6.931 1.00 42.42 C ATOM 66 C GLY A 6 12.025 -10.441 7.035 1.00 52.24 C ATOM 67 O GLY A 6 12.892 -10.021 6.268 1.00 3.43 O ATOM 0 H GLY A 6 11.251 -8.498 5.597 1.00 13.15 H new ATOM 0 HA2 GLY A 6 10.186 -9.851 7.933 1.00 42.42 H new ATOM 0 HA3 GLY A 6 10.004 -10.722 6.423 1.00 42.42 H new ATOM 71 N CYS A 7 12.253 -11.318 7.986 1.00 10.20 N ATOM 72 CA CYS A 7 13.560 -11.896 8.211 1.00 70.11 C ATOM 73 C CYS A 7 13.572 -13.335 7.716 1.00 4.44 C ATOM 74 O CYS A 7 12.580 -14.047 7.850 1.00 72.14 O ATOM 75 CB CYS A 7 13.901 -11.835 9.700 1.00 4.33 C ATOM 76 SG CYS A 7 13.828 -10.156 10.410 1.00 21.12 S ATOM 0 H CYS A 7 11.535 -11.652 8.628 1.00 10.20 H new ATOM 0 HA CYS A 7 14.311 -11.330 7.660 1.00 70.11 H new ATOM 0 HB2 CYS A 7 13.213 -12.480 10.247 1.00 4.33 H new ATOM 0 HB3 CYS A 7 14.902 -12.238 9.850 1.00 4.33 H new ATOM 81 N GLN A 8 14.683 -13.758 7.137 1.00 15.12 N ATOM 82 CA GLN A 8 14.769 -15.086 6.539 1.00 64.14 C ATOM 83 C GLN A 8 14.878 -16.183 7.598 1.00 64.22 C ATOM 84 O GLN A 8 14.878 -15.912 8.805 1.00 1.10 O ATOM 85 CB GLN A 8 15.968 -15.177 5.598 1.00 50.41 C ATOM 86 CG GLN A 8 17.300 -14.977 6.301 1.00 43.35 C ATOM 87 CD GLN A 8 18.484 -15.443 5.476 1.00 51.10 C ATOM 88 OE1 GLN A 8 18.292 -16.492 4.690 1.00 41.23 O flip ATOM 89 NE2 GLN A 8 19.573 -14.879 5.569 1.00 23.50 N flip ATOM 0 H GLN A 8 15.537 -13.205 7.067 1.00 15.12 H new ATOM 0 HA GLN A 8 13.848 -15.240 5.977 1.00 64.14 H new ATOM 0 HB2 GLN A 8 15.965 -16.152 5.110 1.00 50.41 H new ATOM 0 HB3 GLN A 8 15.863 -14.428 4.813 1.00 50.41 H new ATOM 0 HG2 GLN A 8 17.424 -13.920 6.538 1.00 43.35 H new ATOM 0 HG3 GLN A 8 17.289 -15.517 7.248 1.00 43.35 H new ATOM 0 HE21 GLN A 8 19.679 -14.074 6.186 1.00 23.50 H new ATOM 0 HE22 GLN A 8 20.370 -15.216 5.029 1.00 23.50 H new ATOM 98 N ILE A 9 14.994 -17.421 7.130 1.00 54.54 N ATOM 99 CA ILE A 9 15.103 -18.576 8.007 1.00 64.42 C ATOM 100 C ILE A 9 16.566 -18.837 8.361 1.00 73.43 C ATOM 101 O ILE A 9 17.400 -19.079 7.485 1.00 71.43 O ATOM 102 CB ILE A 9 14.488 -19.831 7.341 1.00 54.42 C ATOM 103 CG1 ILE A 9 12.966 -19.689 7.243 1.00 1.03 C ATOM 104 CG2 ILE A 9 14.865 -21.106 8.086 1.00 60.45 C ATOM 105 CD1 ILE A 9 12.276 -20.903 6.660 1.00 23.41 C ATOM 0 H ILE A 9 15.015 -17.649 6.136 1.00 54.54 H new ATOM 0 HA ILE A 9 14.549 -18.362 8.921 1.00 64.42 H new ATOM 0 HB ILE A 9 14.899 -19.910 6.334 1.00 54.42 H new ATOM 0 HG12 ILE A 9 12.564 -19.497 8.238 1.00 1.03 H new ATOM 0 HG13 ILE A 9 12.730 -18.819 6.630 1.00 1.03 H new ATOM 0 HG21 ILE A 9 14.415 -21.965 7.588 1.00 60.45 H new ATOM 0 HG22 ILE A 9 15.949 -21.217 8.091 1.00 60.45 H new ATOM 0 HG23 ILE A 9 14.501 -21.049 9.112 1.00 60.45 H new ATOM 0 HD11 ILE A 9 11.201 -20.727 6.623 1.00 23.41 H new ATOM 0 HD12 ILE A 9 12.649 -21.085 5.652 1.00 23.41 H new ATOM 0 HD13 ILE A 9 12.480 -21.773 7.285 1.00 23.41 H new ATOM 117 N ILE A 10 16.864 -18.772 9.653 1.00 1.44 N ATOM 118 CA ILE A 10 18.225 -18.933 10.149 1.00 53.14 C ATOM 119 C ILE A 10 18.633 -20.403 10.146 1.00 15.30 C ATOM 120 O ILE A 10 17.819 -21.281 10.427 1.00 44.43 O ATOM 121 CB ILE A 10 18.352 -18.382 11.589 1.00 44.30 C ATOM 122 CG1 ILE A 10 17.802 -16.956 11.667 1.00 13.24 C ATOM 123 CG2 ILE A 10 19.805 -18.418 12.056 1.00 25.05 C ATOM 124 CD1 ILE A 10 17.774 -16.394 13.071 1.00 42.33 C ATOM 0 H ILE A 10 16.172 -18.607 10.384 1.00 1.44 H new ATOM 0 HA ILE A 10 18.884 -18.373 9.485 1.00 53.14 H new ATOM 0 HB ILE A 10 17.764 -19.018 12.250 1.00 44.30 H new ATOM 0 HG12 ILE A 10 18.409 -16.306 11.037 1.00 13.24 H new ATOM 0 HG13 ILE A 10 16.791 -16.942 11.259 1.00 13.24 H new ATOM 0 HG21 ILE A 10 19.871 -18.026 13.071 1.00 25.05 H new ATOM 0 HG22 ILE A 10 20.167 -19.446 12.040 1.00 25.05 H new ATOM 0 HG23 ILE A 10 20.416 -17.808 11.391 1.00 25.05 H new ATOM 0 HD11 ILE A 10 17.373 -15.381 13.049 1.00 42.33 H new ATOM 0 HD12 ILE A 10 17.143 -17.021 13.701 1.00 42.33 H new ATOM 0 HD13 ILE A 10 18.786 -16.375 13.475 1.00 42.33 H new ATOM 136 N HIS A 11 19.893 -20.662 9.813 1.00 11.24 N ATOM 137 CA HIS A 11 20.432 -22.015 9.858 1.00 24.14 C ATOM 138 C HIS A 11 20.795 -22.380 11.291 1.00 73.03 C ATOM 139 O HIS A 11 21.515 -21.638 11.957 1.00 11.43 O ATOM 140 CB HIS A 11 21.688 -22.142 8.987 1.00 24.23 C ATOM 141 CG HIS A 11 21.480 -21.818 7.539 1.00 51.10 C ATOM 142 ND1 HIS A 11 22.431 -21.174 6.775 1.00 34.40 N ATOM 143 CD2 HIS A 11 20.444 -22.076 6.705 1.00 73.31 C ATOM 144 CE1 HIS A 11 21.988 -21.052 5.537 1.00 41.44 C ATOM 145 NE2 HIS A 11 20.788 -21.591 5.470 1.00 32.35 N ATOM 0 H HIS A 11 20.560 -19.952 9.509 1.00 11.24 H new ATOM 0 HA HIS A 11 19.666 -22.690 9.477 1.00 24.14 H new ATOM 0 HB2 HIS A 11 22.459 -21.482 9.386 1.00 24.23 H new ATOM 0 HB3 HIS A 11 22.068 -23.161 9.067 1.00 24.23 H new ATOM 0 HD2 HIS A 11 19.520 -22.571 6.965 1.00 73.31 H new ATOM 0 HE1 HIS A 11 22.519 -20.589 4.719 1.00 41.44 H new ATOM 0 HE2 HIS A 11 20.207 -21.640 4.633 1.00 32.35 H new ATOM 154 N PRO A 12 20.288 -23.512 11.794 1.00 62.10 N ATOM 155 CA PRO A 12 20.649 -24.013 13.122 1.00 31.33 C ATOM 156 C PRO A 12 22.138 -24.346 13.207 1.00 62.52 C ATOM 157 O PRO A 12 22.616 -25.255 12.524 1.00 11.24 O ATOM 158 CB PRO A 12 19.804 -25.283 13.279 1.00 52.40 C ATOM 159 CG PRO A 12 18.723 -25.162 12.259 1.00 51.45 C ATOM 160 CD PRO A 12 19.314 -24.385 11.121 1.00 4.22 C ATOM 0 HA PRO A 12 20.464 -23.277 13.905 1.00 31.33 H new ATOM 0 HB2 PRO A 12 20.404 -26.178 13.113 1.00 52.40 H new ATOM 0 HB3 PRO A 12 19.390 -25.359 14.284 1.00 52.40 H new ATOM 0 HG2 PRO A 12 18.387 -26.145 11.928 1.00 51.45 H new ATOM 0 HG3 PRO A 12 17.853 -24.650 12.671 1.00 51.45 H new ATOM 0 HD2 PRO A 12 19.793 -25.038 10.391 1.00 4.22 H new ATOM 0 HD3 PRO A 12 18.557 -23.811 10.587 1.00 4.22 H new ATOM 168 N PRO A 13 22.894 -23.595 14.025 1.00 72.42 N ATOM 169 CA PRO A 13 24.344 -23.781 14.150 1.00 11.03 C ATOM 170 C PRO A 13 24.709 -25.133 14.760 1.00 21.12 C ATOM 171 O PRO A 13 25.245 -26.012 14.083 1.00 10.42 O ATOM 172 CB PRO A 13 24.780 -22.632 15.069 1.00 63.12 C ATOM 173 CG PRO A 13 23.546 -22.224 15.801 1.00 12.24 C ATOM 174 CD PRO A 13 22.395 -22.497 14.874 1.00 11.22 C ATOM 0 HA PRO A 13 24.839 -23.771 13.179 1.00 11.03 H new ATOM 0 HB2 PRO A 13 25.559 -22.955 15.760 1.00 63.12 H new ATOM 0 HB3 PRO A 13 25.189 -21.801 14.494 1.00 63.12 H new ATOM 0 HG2 PRO A 13 23.440 -22.787 16.728 1.00 12.24 H new ATOM 0 HG3 PRO A 13 23.585 -21.169 16.071 1.00 12.24 H new ATOM 0 HD2 PRO A 13 21.498 -22.788 15.421 1.00 11.22 H new ATOM 0 HD3 PRO A 13 22.137 -21.618 14.284 1.00 11.22 H new ATOM 182 N TRP A 14 24.409 -25.296 16.038 1.00 13.53 N ATOM 183 CA TRP A 14 24.664 -26.547 16.730 1.00 55.11 C ATOM 184 C TRP A 14 23.361 -27.341 16.825 1.00 13.40 C ATOM 185 O TRP A 14 22.331 -26.894 16.323 1.00 31.14 O ATOM 186 CB TRP A 14 25.263 -26.265 18.115 1.00 53.25 C ATOM 187 CG TRP A 14 25.793 -27.484 18.812 1.00 30.52 C ATOM 188 CD1 TRP A 14 25.516 -27.878 20.085 1.00 34.14 C ATOM 189 CD2 TRP A 14 26.677 -28.475 18.267 1.00 32.13 C ATOM 190 NE1 TRP A 14 26.173 -29.048 20.370 1.00 11.25 N ATOM 191 CE2 TRP A 14 26.892 -29.436 19.272 1.00 72.24 C ATOM 192 CE3 TRP A 14 27.305 -28.643 17.028 1.00 52.43 C ATOM 193 CZ2 TRP A 14 27.708 -30.547 19.076 1.00 61.11 C ATOM 194 CZ3 TRP A 14 28.116 -29.746 16.836 1.00 24.33 C ATOM 195 CH2 TRP A 14 28.310 -30.685 17.855 1.00 71.42 C ATOM 0 H TRP A 14 23.986 -24.572 16.619 1.00 13.53 H new ATOM 0 HA TRP A 14 25.388 -27.144 16.176 1.00 55.11 H new ATOM 0 HB2 TRP A 14 26.070 -25.540 18.009 1.00 53.25 H new ATOM 0 HB3 TRP A 14 24.500 -25.804 18.742 1.00 53.25 H new ATOM 0 HD1 TRP A 14 24.873 -27.347 20.771 1.00 34.14 H new ATOM 0 HE1 TRP A 14 26.132 -29.549 21.258 1.00 11.25 H new ATOM 0 HE3 TRP A 14 27.159 -27.924 16.236 1.00 52.43 H new ATOM 0 HZ2 TRP A 14 27.860 -31.274 19.860 1.00 61.11 H new ATOM 0 HZ3 TRP A 14 28.608 -29.885 15.884 1.00 24.33 H new ATOM 0 HH2 TRP A 14 28.949 -31.537 17.674 1.00 71.42 H new ATOM 206 N GLU A 15 23.411 -28.514 17.446 1.00 44.34 N ATOM 207 CA GLU A 15 22.242 -29.374 17.558 1.00 22.34 C ATOM 208 C GLU A 15 21.159 -28.732 18.418 1.00 24.33 C ATOM 209 O GLU A 15 21.150 -28.857 19.645 1.00 3.10 O ATOM 210 CB GLU A 15 22.631 -30.745 18.117 1.00 35.12 C ATOM 211 CG GLU A 15 23.569 -31.518 17.203 1.00 53.31 C ATOM 212 CD GLU A 15 23.022 -31.631 15.795 1.00 41.30 C ATOM 213 OE1 GLU A 15 22.107 -32.454 15.571 1.00 63.35 O ATOM 214 OE2 GLU A 15 23.496 -30.892 14.907 1.00 74.13 O1- ATOM 0 H GLU A 15 24.253 -28.891 17.881 1.00 44.34 H new ATOM 0 HA GLU A 15 21.834 -29.511 16.556 1.00 22.34 H new ATOM 0 HB2 GLU A 15 23.107 -30.613 19.088 1.00 35.12 H new ATOM 0 HB3 GLU A 15 21.728 -31.333 18.282 1.00 35.12 H new ATOM 0 HG2 GLU A 15 24.540 -31.023 17.176 1.00 53.31 H new ATOM 0 HG3 GLU A 15 23.732 -32.516 17.610 1.00 53.31 H new ATOM 221 N GLY A 16 20.264 -28.027 17.749 1.00 71.54 N ATOM 222 CA GLY A 16 19.159 -27.373 18.405 1.00 11.25 C ATOM 223 C GLY A 16 18.064 -27.065 17.413 1.00 0.41 C ATOM 224 O GLY A 16 17.943 -27.744 16.394 1.00 33.22 O ATOM 0 H GLY A 16 20.287 -27.895 16.738 1.00 71.54 H new ATOM 0 HA2 GLY A 16 18.770 -28.011 19.199 1.00 11.25 H new ATOM 0 HA3 GLY A 16 19.501 -26.451 18.876 1.00 11.25 H new ATOM 228 N GLY A 17 17.268 -26.052 17.691 1.00 23.54 N ATOM 229 CA GLY A 17 16.246 -25.653 16.754 1.00 23.21 C ATOM 230 C GLY A 17 15.689 -24.287 17.072 1.00 4.21 C ATOM 231 O GLY A 17 16.198 -23.594 17.957 1.00 73.45 O ATOM 0 H GLY A 17 17.310 -25.499 18.547 1.00 23.54 H new ATOM 0 HA2 GLY A 17 16.660 -25.650 15.746 1.00 23.21 H new ATOM 0 HA3 GLY A 17 15.439 -26.385 16.765 1.00 23.21 H new ATOM 235 N ILE A 18 14.634 -23.909 16.373 1.00 13.11 N ATOM 236 CA ILE A 18 14.019 -22.615 16.579 1.00 4.12 C ATOM 237 C ILE A 18 12.522 -22.741 16.797 1.00 21.53 C ATOM 238 O ILE A 18 11.827 -23.477 16.098 1.00 64.33 O ATOM 239 CB ILE A 18 14.323 -21.651 15.413 1.00 60.43 C ATOM 240 CG1 ILE A 18 15.776 -21.195 15.521 1.00 33.34 C ATOM 241 CG2 ILE A 18 13.377 -20.455 15.415 1.00 50.32 C ATOM 242 CD1 ILE A 18 16.183 -20.170 14.484 1.00 70.34 C ATOM 0 H ILE A 18 14.187 -24.482 15.658 1.00 13.11 H new ATOM 0 HA ILE A 18 14.456 -22.192 17.484 1.00 4.12 H new ATOM 0 HB ILE A 18 14.170 -22.174 14.469 1.00 60.43 H new ATOM 0 HG12 ILE A 18 15.941 -20.776 16.514 1.00 33.34 H new ATOM 0 HG13 ILE A 18 16.426 -22.065 15.430 1.00 33.34 H new ATOM 0 HG21 ILE A 18 13.620 -19.797 14.580 1.00 50.32 H new ATOM 0 HG22 ILE A 18 12.349 -20.804 15.315 1.00 50.32 H new ATOM 0 HG23 ILE A 18 13.484 -19.908 16.351 1.00 50.32 H new ATOM 0 HD11 ILE A 18 17.229 -19.900 14.631 1.00 70.34 H new ATOM 0 HD12 ILE A 18 16.053 -20.590 13.487 1.00 70.34 H new ATOM 0 HD13 ILE A 18 15.561 -19.281 14.587 1.00 70.34 H new ATOM 254 N ARG A 19 12.048 -22.019 17.793 1.00 44.43 N ATOM 255 CA ARG A 19 10.657 -22.034 18.175 1.00 12.34 C ATOM 256 C ARG A 19 9.936 -20.827 17.593 1.00 54.31 C ATOM 257 O ARG A 19 10.372 -19.691 17.775 1.00 14.40 O ATOM 258 CB ARG A 19 10.560 -22.004 19.696 1.00 21.13 C ATOM 259 CG ARG A 19 9.158 -22.266 20.230 1.00 74.22 C ATOM 260 CD ARG A 19 8.715 -23.693 19.962 1.00 2.13 C ATOM 261 NE ARG A 19 9.458 -24.660 20.766 1.00 34.34 N ATOM 262 CZ ARG A 19 9.730 -25.904 20.371 1.00 15.24 C ATOM 263 NH1 ARG A 19 9.351 -26.322 19.171 1.00 45.21 N1+ ATOM 264 NH2 ARG A 19 10.376 -26.737 21.177 1.00 45.00 N ATOM 0 H ARG A 19 12.626 -21.401 18.363 1.00 44.43 H new ATOM 0 HA ARG A 19 10.188 -22.939 17.790 1.00 12.34 H new ATOM 0 HB2 ARG A 19 11.240 -22.749 20.108 1.00 21.13 H new ATOM 0 HB3 ARG A 19 10.898 -21.031 20.053 1.00 21.13 H new ATOM 0 HG2 ARG A 19 9.135 -22.073 21.302 1.00 74.22 H new ATOM 0 HG3 ARG A 19 8.456 -21.573 19.766 1.00 74.22 H new ATOM 0 HD2 ARG A 19 7.650 -23.787 20.175 1.00 2.13 H new ATOM 0 HD3 ARG A 19 8.850 -23.921 18.905 1.00 2.13 H new ATOM 0 HE ARG A 19 9.789 -24.366 21.685 1.00 34.34 H new ATOM 0 HH11 ARG A 19 8.849 -25.691 18.546 1.00 45.21 H new ATOM 0 HH12 ARG A 19 9.561 -27.275 18.873 1.00 45.21 H new ATOM 0 HH21 ARG A 19 10.667 -26.427 22.104 1.00 45.00 H new ATOM 0 HH22 ARG A 19 10.581 -27.688 20.870 1.00 45.00 H new ATOM 278 N TYR A 20 8.847 -21.073 16.888 1.00 74.35 N ATOM 279 CA TYR A 20 8.026 -19.995 16.364 1.00 40.55 C ATOM 280 C TYR A 20 6.832 -19.781 17.285 1.00 34.25 C ATOM 281 O TYR A 20 6.776 -20.358 18.375 1.00 72.21 O ATOM 282 CB TYR A 20 7.567 -20.318 14.942 1.00 12.44 C ATOM 283 CG TYR A 20 8.710 -20.461 13.960 1.00 42.23 C ATOM 284 CD1 TYR A 20 9.290 -21.699 13.714 1.00 24.23 C ATOM 285 CD2 TYR A 20 9.211 -19.356 13.282 1.00 1.23 C ATOM 286 CE1 TYR A 20 10.337 -21.831 12.821 1.00 54.01 C ATOM 287 CE2 TYR A 20 10.256 -19.480 12.388 1.00 52.11 C ATOM 288 CZ TYR A 20 10.816 -20.719 12.161 1.00 34.52 C ATOM 289 OH TYR A 20 11.856 -20.845 11.269 1.00 22.43 O ATOM 0 H TYR A 20 8.510 -22.009 16.665 1.00 74.35 H new ATOM 0 HA TYR A 20 8.612 -19.077 16.324 1.00 40.55 H new ATOM 0 HB2 TYR A 20 6.991 -21.243 14.955 1.00 12.44 H new ATOM 0 HB3 TYR A 20 6.897 -19.531 14.597 1.00 12.44 H new ATOM 0 HD1 TYR A 20 8.917 -22.572 14.229 1.00 24.23 H new ATOM 0 HD2 TYR A 20 8.775 -18.383 13.457 1.00 1.23 H new ATOM 0 HE1 TYR A 20 10.778 -22.800 12.641 1.00 54.01 H new ATOM 0 HE2 TYR A 20 10.633 -18.611 11.869 1.00 52.11 H new ATOM 0 HH TYR A 20 12.071 -19.967 10.891 1.00 22.43 H new ATOM 299 N ARG A 21 5.877 -18.964 16.867 1.00 4.04 N ATOM 300 CA ARG A 21 4.715 -18.703 17.703 1.00 43.13 C ATOM 301 C ARG A 21 3.506 -19.479 17.191 1.00 4.10 C ATOM 302 O ARG A 21 3.012 -20.390 17.857 1.00 52.41 O ATOM 303 CB ARG A 21 4.397 -17.207 17.759 1.00 74.30 C ATOM 304 CG ARG A 21 3.540 -16.839 18.960 1.00 52.33 C ATOM 305 CD ARG A 21 3.053 -15.400 18.909 1.00 1.31 C ATOM 306 NE ARG A 21 4.133 -14.434 18.686 1.00 72.30 N ATOM 307 CZ ARG A 21 4.873 -13.890 19.655 1.00 63.53 C ATOM 308 NH1 ARG A 21 4.776 -14.324 20.905 1.00 42.32 N1+ ATOM 309 NH2 ARG A 21 5.726 -12.918 19.364 1.00 24.04 N ATOM 0 H ARG A 21 5.882 -18.478 15.970 1.00 4.04 H new ATOM 0 HA ARG A 21 4.949 -19.038 18.714 1.00 43.13 H new ATOM 0 HB2 ARG A 21 5.328 -16.642 17.794 1.00 74.30 H new ATOM 0 HB3 ARG A 21 3.881 -16.914 16.845 1.00 74.30 H new ATOM 0 HG2 ARG A 21 2.681 -17.508 19.008 1.00 52.33 H new ATOM 0 HG3 ARG A 21 4.115 -16.992 19.873 1.00 52.33 H new ATOM 0 HD2 ARG A 21 2.315 -15.301 18.113 1.00 1.31 H new ATOM 0 HD3 ARG A 21 2.547 -15.161 19.844 1.00 1.31 H new ATOM 0 HE ARG A 21 4.333 -14.159 17.724 1.00 72.30 H new ATOM 0 HH11 ARG A 21 4.131 -15.081 21.134 1.00 42.32 H new ATOM 0 HH12 ARG A 21 5.346 -13.901 21.637 1.00 42.32 H new ATOM 0 HH21 ARG A 21 5.815 -12.588 18.403 1.00 24.04 H new ATOM 0 HH22 ARG A 21 6.293 -12.500 20.101 1.00 24.04 H new ATOM 323 N GLY A 22 3.044 -19.128 15.999 1.00 11.55 N ATOM 324 CA GLY A 22 1.886 -19.789 15.431 1.00 50.05 C ATOM 325 C GLY A 22 2.248 -20.650 14.244 1.00 71.12 C ATOM 326 O GLY A 22 1.604 -20.582 13.198 1.00 54.54 O ATOM 0 H GLY A 22 3.450 -18.397 15.415 1.00 11.55 H new ATOM 0 HA2 GLY A 22 1.411 -20.406 16.194 1.00 50.05 H new ATOM 0 HA3 GLY A 22 1.155 -19.040 15.126 1.00 50.05 H new ATOM 330 N LEU A 23 3.288 -21.458 14.402 1.00 51.01 N ATOM 331 CA LEU A 23 3.753 -22.321 13.327 1.00 52.44 C ATOM 332 C LEU A 23 4.057 -23.720 13.848 1.00 5.12 C ATOM 333 O LEU A 23 5.063 -23.936 14.529 1.00 0.51 O ATOM 334 CB LEU A 23 5.001 -21.732 12.657 1.00 44.13 C ATOM 335 CG LEU A 23 4.781 -20.426 11.887 1.00 45.22 C ATOM 336 CD1 LEU A 23 6.101 -19.888 11.358 1.00 34.31 C ATOM 337 CD2 LEU A 23 3.802 -20.637 10.740 1.00 3.33 C ATOM 0 H LEU A 23 3.825 -21.533 15.266 1.00 51.01 H new ATOM 0 HA LEU A 23 2.956 -22.389 12.587 1.00 52.44 H new ATOM 0 HB2 LEU A 23 5.756 -21.559 13.424 1.00 44.13 H new ATOM 0 HB3 LEU A 23 5.408 -22.474 11.970 1.00 44.13 H new ATOM 0 HG LEU A 23 4.357 -19.694 12.575 1.00 45.22 H new ATOM 0 HD11 LEU A 23 5.924 -18.960 10.814 1.00 34.31 H new ATOM 0 HD12 LEU A 23 6.776 -19.697 12.192 1.00 34.31 H new ATOM 0 HD13 LEU A 23 6.550 -20.621 10.688 1.00 34.31 H new ATOM 0 HD21 LEU A 23 3.659 -19.698 10.206 1.00 3.33 H new ATOM 0 HD22 LEU A 23 4.199 -21.387 10.056 1.00 3.33 H new ATOM 0 HD23 LEU A 23 2.845 -20.978 11.136 1.00 3.33 H new ATOM 349 N THR A 24 3.161 -24.651 13.554 1.00 45.31 N ATOM 350 CA THR A 24 3.367 -26.054 13.886 1.00 75.32 C ATOM 351 C THR A 24 4.140 -26.752 12.760 1.00 64.12 C ATOM 352 O THR A 24 4.543 -26.104 11.788 1.00 23.12 O ATOM 353 CB THR A 24 2.022 -26.774 14.147 1.00 73.21 C ATOM 354 OG1 THR A 24 2.252 -28.035 14.790 1.00 0.00 O ATOM 355 CG2 THR A 24 1.248 -26.994 12.851 1.00 12.52 C ATOM 0 H THR A 24 2.277 -24.458 13.082 1.00 45.31 H new ATOM 0 HA THR A 24 3.953 -26.104 14.804 1.00 75.32 H new ATOM 0 HB THR A 24 1.425 -26.136 14.798 1.00 73.21 H new ATOM 0 HG1 THR A 24 1.394 -28.481 14.952 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.309 -27.502 13.070 1.00 12.52 H new ATOM 0 HG22 THR A 24 1.040 -26.032 12.384 1.00 12.52 H new ATOM 0 HG23 THR A 24 1.842 -27.606 12.172 1.00 12.52 H new ATOM 363 N ARG A 25 4.365 -28.060 12.903 1.00 3.14 N ATOM 364 CA ARG A 25 5.154 -28.821 11.928 1.00 73.32 C ATOM 365 C ARG A 25 4.473 -28.871 10.554 1.00 50.00 C ATOM 366 O ARG A 25 3.443 -28.227 10.337 1.00 5.42 O ATOM 367 CB ARG A 25 5.409 -30.242 12.447 1.00 33.05 C ATOM 368 CG ARG A 25 4.141 -31.014 12.779 1.00 24.32 C ATOM 369 CD ARG A 25 4.454 -32.399 13.322 1.00 10.33 C ATOM 370 NE ARG A 25 3.245 -33.108 13.728 1.00 33.14 N ATOM 371 CZ ARG A 25 3.236 -34.222 14.461 1.00 2.41 C ATOM 372 NH1 ARG A 25 4.374 -34.779 14.856 1.00 13.30 N1+ ATOM 373 NH2 ARG A 25 2.082 -34.780 14.803 1.00 62.54 N ATOM 0 H ARG A 25 4.013 -28.615 13.683 1.00 3.14 H new ATOM 0 HA ARG A 25 6.107 -28.307 11.803 1.00 73.32 H new ATOM 0 HB2 ARG A 25 5.974 -30.796 11.697 1.00 33.05 H new ATOM 0 HB3 ARG A 25 6.033 -30.186 13.339 1.00 33.05 H new ATOM 0 HG2 ARG A 25 3.558 -30.458 13.513 1.00 24.32 H new ATOM 0 HG3 ARG A 25 3.525 -31.104 11.885 1.00 24.32 H new ATOM 0 HD2 ARG A 25 4.977 -32.978 12.561 1.00 10.33 H new ATOM 0 HD3 ARG A 25 5.128 -32.311 14.174 1.00 10.33 H new ATOM 0 HE ARG A 25 2.347 -32.726 13.431 1.00 33.14 H new ATOM 0 HH11 ARG A 25 5.265 -34.355 14.599 1.00 13.30 H new ATOM 0 HH12 ARG A 25 4.357 -35.631 15.416 1.00 13.30 H new ATOM 0 HH21 ARG A 25 1.203 -34.357 14.505 1.00 62.54 H new ATOM 0 HH22 ARG A 25 2.074 -35.632 15.364 1.00 62.54 H new ATOM 387 N ASP A 26 5.049 -29.664 9.643 1.00 11.55 N ATOM 388 CA ASP A 26 4.658 -29.687 8.220 1.00 13.41 C ATOM 389 C ASP A 26 5.048 -28.383 7.528 1.00 2.54 C ATOM 390 O ASP A 26 5.602 -28.398 6.430 1.00 54.04 O ATOM 391 CB ASP A 26 3.164 -29.960 8.030 1.00 51.21 C ATOM 392 CG ASP A 26 2.706 -29.734 6.598 1.00 14.41 C ATOM 393 OD1 ASP A 26 3.215 -30.413 5.679 1.00 15.50 O ATOM 394 OD2 ASP A 26 1.819 -28.884 6.384 1.00 15.44 O1- ATOM 0 H ASP A 26 5.803 -30.312 9.869 1.00 11.55 H new ATOM 0 HA ASP A 26 5.202 -30.511 7.759 1.00 13.41 H new ATOM 0 HB2 ASP A 26 2.947 -30.988 8.319 1.00 51.21 H new ATOM 0 HB3 ASP A 26 2.593 -29.314 8.697 1.00 51.21 H new ATOM 399 N GLN A 27 4.757 -27.262 8.178 1.00 2.23 N ATOM 400 CA GLN A 27 5.160 -25.949 7.696 1.00 4.51 C ATOM 401 C GLN A 27 6.647 -25.713 7.965 1.00 2.23 C ATOM 402 O GLN A 27 7.414 -26.671 8.071 1.00 21.25 O ATOM 403 CB GLN A 27 4.322 -24.869 8.380 1.00 41.02 C ATOM 404 CG GLN A 27 2.864 -24.881 7.963 1.00 12.33 C ATOM 405 CD GLN A 27 2.021 -23.888 8.740 1.00 33.35 C ATOM 406 OE1 GLN A 27 2.343 -23.695 10.011 1.00 70.15 O flip ATOM 407 NE2 GLN A 27 1.077 -23.307 8.206 1.00 42.30 N flip ATOM 0 H GLN A 27 4.235 -27.239 9.054 1.00 2.23 H new ATOM 0 HA GLN A 27 4.994 -25.903 6.620 1.00 4.51 H new ATOM 0 HB2 GLN A 27 4.384 -25.002 9.460 1.00 41.02 H new ATOM 0 HB3 GLN A 27 4.748 -23.892 8.154 1.00 41.02 H new ATOM 0 HG2 GLN A 27 2.794 -24.656 6.899 1.00 12.33 H new ATOM 0 HG3 GLN A 27 2.459 -25.883 8.104 1.00 12.33 H new ATOM 0 HE21 GLN A 27 0.860 -23.482 7.225 1.00 42.30 H new ATOM 0 HE22 GLN A 27 0.512 -22.651 8.744 1.00 42.30 H new ATOM 416 N VAL A 28 7.034 -24.431 8.045 1.00 40.51 N ATOM 417 CA VAL A 28 8.425 -23.996 8.300 1.00 21.23 C ATOM 418 C VAL A 28 9.426 -24.705 7.380 1.00 20.45 C ATOM 419 O VAL A 28 10.610 -24.837 7.695 1.00 35.23 O ATOM 420 CB VAL A 28 8.846 -24.146 9.794 1.00 75.00 C ATOM 421 CG1 VAL A 28 7.832 -23.465 10.698 1.00 3.34 C ATOM 422 CG2 VAL A 28 9.044 -25.601 10.211 1.00 12.44 C ATOM 0 H VAL A 28 6.384 -23.653 7.934 1.00 40.51 H new ATOM 0 HA VAL A 28 8.447 -22.931 8.068 1.00 21.23 H new ATOM 0 HB VAL A 28 9.814 -23.656 9.902 1.00 75.00 H new ATOM 0 HG11 VAL A 28 8.138 -23.578 11.738 1.00 3.34 H new ATOM 0 HG12 VAL A 28 7.776 -22.405 10.449 1.00 3.34 H new ATOM 0 HG13 VAL A 28 6.853 -23.923 10.557 1.00 3.34 H new ATOM 0 HG21 VAL A 28 9.336 -25.642 11.260 1.00 12.44 H new ATOM 0 HG22 VAL A 28 8.112 -26.149 10.072 1.00 12.44 H new ATOM 0 HG23 VAL A 28 9.825 -26.052 9.599 1.00 12.44 H new ATOM 432 N LYS A 29 8.944 -25.099 6.212 1.00 1.44 N ATOM 433 CA LYS A 29 9.753 -25.828 5.248 1.00 53.22 C ATOM 434 C LYS A 29 10.324 -24.883 4.204 1.00 71.12 C ATOM 435 O LYS A 29 11.400 -25.121 3.656 1.00 33.02 O ATOM 436 CB LYS A 29 8.911 -26.925 4.585 1.00 54.41 C ATOM 437 CG LYS A 29 7.549 -26.444 4.108 1.00 70.52 C ATOM 438 CD LYS A 29 6.656 -27.606 3.706 1.00 33.02 C ATOM 439 CE LYS A 29 5.221 -27.157 3.480 1.00 11.13 C ATOM 440 NZ LYS A 29 4.298 -28.310 3.306 1.00 21.55 N1+ ATOM 0 H LYS A 29 7.987 -24.924 5.907 1.00 1.44 H new ATOM 0 HA LYS A 29 10.588 -26.295 5.771 1.00 53.22 H new ATOM 0 HB2 LYS A 29 9.461 -27.330 3.736 1.00 54.41 H new ATOM 0 HB3 LYS A 29 8.771 -27.742 5.293 1.00 54.41 H new ATOM 0 HG2 LYS A 29 7.067 -25.871 4.900 1.00 70.52 H new ATOM 0 HG3 LYS A 29 7.676 -25.771 3.260 1.00 70.52 H new ATOM 0 HD2 LYS A 29 7.042 -28.064 2.796 1.00 33.02 H new ATOM 0 HD3 LYS A 29 6.681 -28.370 4.483 1.00 33.02 H new ATOM 0 HE2 LYS A 29 4.892 -26.554 4.326 1.00 11.13 H new ATOM 0 HE3 LYS A 29 5.175 -26.519 2.597 1.00 11.13 H new ATOM 0 HZ1 LYS A 29 3.369 -27.966 2.988 1.00 21.55 H new ATOM 0 HZ2 LYS A 29 4.687 -28.962 2.596 1.00 21.55 H new ATOM 0 HZ3 LYS A 29 4.191 -28.809 4.212 1.00 21.55 H new ATOM 454 N ALA A 30 9.608 -23.802 3.943 1.00 52.32 N ATOM 455 CA ALA A 30 10.051 -22.817 2.976 1.00 14.13 C ATOM 456 C ALA A 30 9.430 -21.460 3.256 1.00 61.32 C ATOM 457 O ALA A 30 8.295 -21.182 2.868 1.00 75.11 O ATOM 458 CB ALA A 30 9.736 -23.266 1.561 1.00 4.23 C ATOM 0 H ALA A 30 8.716 -23.586 4.389 1.00 52.32 H new ATOM 0 HA ALA A 30 11.133 -22.721 3.071 1.00 14.13 H new ATOM 0 HB1 ALA A 30 10.078 -22.510 0.855 1.00 4.23 H new ATOM 0 HB2 ALA A 30 10.243 -24.209 1.357 1.00 4.23 H new ATOM 0 HB3 ALA A 30 8.660 -23.402 1.454 1.00 4.23 H new ATOM 464 N ILE A 31 10.172 -20.634 3.968 1.00 25.12 N ATOM 465 CA ILE A 31 9.759 -19.270 4.248 1.00 40.14 C ATOM 466 C ILE A 31 10.902 -18.335 3.882 1.00 74.23 C ATOM 467 O ILE A 31 12.068 -18.662 4.102 1.00 4.24 O ATOM 468 CB ILE A 31 9.378 -19.069 5.735 1.00 34.44 C ATOM 469 CG1 ILE A 31 8.365 -20.131 6.179 1.00 11.21 C ATOM 470 CG2 ILE A 31 8.808 -17.670 5.952 1.00 41.23 C ATOM 471 CD1 ILE A 31 8.000 -20.053 7.646 1.00 3.32 C ATOM 0 H ILE A 31 11.075 -20.887 4.368 1.00 25.12 H new ATOM 0 HA ILE A 31 8.871 -19.051 3.655 1.00 40.14 H new ATOM 0 HB ILE A 31 10.279 -19.177 6.339 1.00 34.44 H new ATOM 0 HG12 ILE A 31 7.459 -20.026 5.583 1.00 11.21 H new ATOM 0 HG13 ILE A 31 8.773 -21.119 5.968 1.00 11.21 H new ATOM 0 HG21 ILE A 31 8.545 -17.543 7.002 1.00 41.23 H new ATOM 0 HG22 ILE A 31 9.554 -16.926 5.673 1.00 41.23 H new ATOM 0 HG23 ILE A 31 7.918 -17.540 5.336 1.00 41.23 H new ATOM 0 HD11 ILE A 31 7.280 -20.836 7.884 1.00 3.32 H new ATOM 0 HD12 ILE A 31 8.896 -20.188 8.252 1.00 3.32 H new ATOM 0 HD13 ILE A 31 7.561 -19.079 7.860 1.00 3.32 H new ATOM 483 N ASN A 32 10.584 -17.194 3.300 1.00 72.34 N ATOM 484 CA ASN A 32 11.618 -16.264 2.881 1.00 15.12 C ATOM 485 C ASN A 32 11.644 -15.053 3.792 1.00 73.04 C ATOM 486 O ASN A 32 12.712 -14.527 4.104 1.00 13.03 O ATOM 487 CB ASN A 32 11.420 -15.837 1.424 1.00 71.30 C ATOM 488 CG ASN A 32 11.490 -17.009 0.465 1.00 3.15 C ATOM 489 OD1 ASN A 32 12.575 -17.447 0.080 1.00 51.12 O ATOM 490 ND2 ASN A 32 10.335 -17.509 0.051 1.00 22.03 N ATOM 0 H ASN A 32 9.629 -16.890 3.108 1.00 72.34 H new ATOM 0 HA ASN A 32 12.579 -16.774 2.953 1.00 15.12 H new ATOM 0 HB2 ASN A 32 10.454 -15.343 1.321 1.00 71.30 H new ATOM 0 HB3 ASN A 32 12.182 -15.105 1.156 1.00 71.30 H new ATOM 0 HD21 ASN A 32 10.323 -18.285 -0.611 1.00 22.03 H new ATOM 0 HD22 ASN A 32 9.458 -17.118 0.394 1.00 22.03 H new ATOM 497 N PHE A 33 10.473 -14.618 4.233 1.00 4.32 N ATOM 498 CA PHE A 33 10.382 -13.458 5.101 1.00 60.13 C ATOM 499 C PHE A 33 9.415 -13.709 6.253 1.00 71.25 C ATOM 500 O PHE A 33 8.203 -13.799 6.050 1.00 43.02 O ATOM 501 CB PHE A 33 9.929 -12.230 4.307 1.00 25.12 C ATOM 502 CG PHE A 33 10.853 -11.856 3.180 1.00 51.52 C ATOM 503 CD1 PHE A 33 10.530 -12.170 1.871 1.00 50.10 C ATOM 504 CD2 PHE A 33 12.045 -11.198 3.433 1.00 1.10 C ATOM 505 CE1 PHE A 33 11.380 -11.834 0.833 1.00 3.21 C ATOM 506 CE2 PHE A 33 12.899 -10.859 2.401 1.00 62.54 C ATOM 507 CZ PHE A 33 12.564 -11.177 1.098 1.00 65.33 C ATOM 0 H PHE A 33 9.578 -15.050 4.004 1.00 4.32 H new ATOM 0 HA PHE A 33 11.374 -13.273 5.514 1.00 60.13 H new ATOM 0 HB2 PHE A 33 8.935 -12.419 3.901 1.00 25.12 H new ATOM 0 HB3 PHE A 33 9.840 -11.383 4.987 1.00 25.12 H new ATOM 0 HD1 PHE A 33 9.604 -12.683 1.658 1.00 50.10 H new ATOM 0 HD2 PHE A 33 12.310 -10.947 4.449 1.00 1.10 H new ATOM 0 HE1 PHE A 33 11.117 -12.086 -0.184 1.00 3.21 H new ATOM 0 HE2 PHE A 33 13.826 -10.347 2.612 1.00 62.54 H new ATOM 0 HZ PHE A 33 13.228 -10.912 0.289 1.00 65.33 H new ATOM 517 N LEU A 34 9.959 -13.844 7.454 1.00 45.21 N ATOM 518 CA LEU A 34 9.149 -13.863 8.663 1.00 44.33 C ATOM 519 C LEU A 34 8.800 -12.433 9.030 1.00 61.32 C ATOM 520 O LEU A 34 9.697 -11.615 9.210 1.00 5.11 O ATOM 521 CB LEU A 34 9.890 -14.532 9.833 1.00 2.10 C ATOM 522 CG LEU A 34 9.951 -16.068 9.816 1.00 42.44 C ATOM 523 CD1 LEU A 34 8.556 -16.661 9.697 1.00 10.42 C ATOM 524 CD2 LEU A 34 10.846 -16.575 8.695 1.00 73.11 C ATOM 0 H LEU A 34 10.961 -13.942 7.617 1.00 45.21 H new ATOM 0 HA LEU A 34 8.247 -14.444 8.471 1.00 44.33 H new ATOM 0 HB2 LEU A 34 10.911 -14.150 9.854 1.00 2.10 H new ATOM 0 HB3 LEU A 34 9.414 -14.219 10.762 1.00 2.10 H new ATOM 0 HG LEU A 34 10.385 -16.393 10.762 1.00 42.44 H new ATOM 0 HD11 LEU A 34 8.623 -17.749 9.687 1.00 10.42 H new ATOM 0 HD12 LEU A 34 7.952 -16.342 10.546 1.00 10.42 H new ATOM 0 HD13 LEU A 34 8.092 -16.317 8.772 1.00 10.42 H new ATOM 0 HD21 LEU A 34 10.867 -17.665 8.711 1.00 73.11 H new ATOM 0 HD22 LEU A 34 10.457 -16.234 7.736 1.00 73.11 H new ATOM 0 HD23 LEU A 34 11.856 -16.190 8.834 1.00 73.11 H new ATOM 536 N PRO A 35 7.500 -12.117 9.133 1.00 32.22 N ATOM 537 CA PRO A 35 7.016 -10.747 9.333 1.00 5.03 C ATOM 538 C PRO A 35 7.757 -9.991 10.433 1.00 10.23 C ATOM 539 O PRO A 35 8.073 -10.547 11.484 1.00 63.24 O ATOM 540 CB PRO A 35 5.539 -10.927 9.714 1.00 22.10 C ATOM 541 CG PRO A 35 5.340 -12.395 9.907 1.00 24.21 C ATOM 542 CD PRO A 35 6.387 -13.070 9.074 1.00 34.40 C ATOM 0 HA PRO A 35 7.174 -10.148 8.436 1.00 5.03 H new ATOM 0 HB2 PRO A 35 5.301 -10.378 10.625 1.00 22.10 H new ATOM 0 HB3 PRO A 35 4.885 -10.544 8.931 1.00 22.10 H new ATOM 0 HG2 PRO A 35 5.443 -12.667 10.957 1.00 24.21 H new ATOM 0 HG3 PRO A 35 4.340 -12.697 9.596 1.00 24.21 H new ATOM 0 HD2 PRO A 35 6.664 -14.043 9.480 1.00 34.40 H new ATOM 0 HD3 PRO A 35 6.048 -13.236 8.051 1.00 34.40 H new ATOM 550 N VAL A 36 8.043 -8.722 10.166 1.00 60.55 N ATOM 551 CA VAL A 36 8.670 -7.836 11.143 1.00 53.33 C ATOM 552 C VAL A 36 7.929 -7.884 12.483 1.00 1.10 C ATOM 553 O VAL A 36 6.703 -8.032 12.510 1.00 72.31 O ATOM 554 CB VAL A 36 8.719 -6.382 10.606 1.00 4.21 C ATOM 555 CG1 VAL A 36 7.321 -5.880 10.277 1.00 64.12 C ATOM 556 CG2 VAL A 36 9.404 -5.446 11.590 1.00 25.11 C ATOM 0 H VAL A 36 7.848 -8.278 9.269 1.00 60.55 H new ATOM 0 HA VAL A 36 9.690 -8.183 11.306 1.00 53.33 H new ATOM 0 HB VAL A 36 9.309 -6.391 9.690 1.00 4.21 H new ATOM 0 HG11 VAL A 36 7.380 -4.858 9.902 1.00 64.12 H new ATOM 0 HG12 VAL A 36 6.874 -6.520 9.516 1.00 64.12 H new ATOM 0 HG13 VAL A 36 6.706 -5.901 11.176 1.00 64.12 H new ATOM 0 HG21 VAL A 36 9.420 -4.436 11.180 1.00 25.11 H new ATOM 0 HG22 VAL A 36 8.858 -5.446 12.533 1.00 25.11 H new ATOM 0 HG23 VAL A 36 10.426 -5.784 11.762 1.00 25.11 H new ATOM 566 N ASP A 37 8.693 -7.798 13.579 1.00 75.53 N ATOM 567 CA ASP A 37 8.158 -7.819 14.952 1.00 0.24 C ATOM 568 C ASP A 37 7.846 -9.249 15.419 1.00 61.43 C ATOM 569 O ASP A 37 7.485 -9.470 16.576 1.00 74.15 O ATOM 570 CB ASP A 37 6.926 -6.905 15.082 1.00 1.03 C ATOM 571 CG ASP A 37 6.412 -6.780 16.505 1.00 73.54 C ATOM 572 OD1 ASP A 37 7.020 -6.032 17.302 1.00 11.24 O ATOM 573 OD2 ASP A 37 5.383 -7.408 16.824 1.00 24.30 O1- ATOM 0 H ASP A 37 9.709 -7.711 13.541 1.00 75.53 H new ATOM 0 HA ASP A 37 8.934 -7.428 15.610 1.00 0.24 H new ATOM 0 HB2 ASP A 37 7.178 -5.913 14.707 1.00 1.03 H new ATOM 0 HB3 ASP A 37 6.128 -7.292 14.449 1.00 1.03 H new ATOM 578 N TYR A 38 8.014 -10.223 14.527 1.00 64.13 N ATOM 579 CA TYR A 38 7.844 -11.631 14.890 1.00 64.04 C ATOM 580 C TYR A 38 8.941 -12.040 15.871 1.00 13.41 C ATOM 581 O TYR A 38 10.090 -11.614 15.731 1.00 72.14 O ATOM 582 CB TYR A 38 7.905 -12.518 13.638 1.00 31.23 C ATOM 583 CG TYR A 38 7.324 -13.905 13.819 1.00 53.15 C ATOM 584 CD1 TYR A 38 8.057 -14.927 14.413 1.00 63.21 C ATOM 585 CD2 TYR A 38 6.034 -14.192 13.391 1.00 42.20 C ATOM 586 CE1 TYR A 38 7.519 -16.192 14.574 1.00 51.34 C ATOM 587 CE2 TYR A 38 5.491 -15.452 13.549 1.00 74.11 C ATOM 588 CZ TYR A 38 6.236 -16.449 14.142 1.00 52.12 C ATOM 589 OH TYR A 38 5.692 -17.707 14.307 1.00 52.04 O ATOM 0 H TYR A 38 8.267 -10.066 13.551 1.00 64.13 H new ATOM 0 HA TYR A 38 6.869 -11.761 15.360 1.00 64.04 H new ATOM 0 HB2 TYR A 38 7.373 -12.018 12.828 1.00 31.23 H new ATOM 0 HB3 TYR A 38 8.945 -12.612 13.326 1.00 31.23 H new ATOM 0 HD1 TYR A 38 9.063 -14.730 14.754 1.00 63.21 H new ATOM 0 HD2 TYR A 38 5.445 -13.415 12.926 1.00 42.20 H new ATOM 0 HE1 TYR A 38 8.102 -16.974 15.036 1.00 51.34 H new ATOM 0 HE2 TYR A 38 4.486 -15.656 13.209 1.00 74.11 H new ATOM 0 HH TYR A 38 5.750 -18.202 13.463 1.00 52.04 H new ATOM 599 N GLU A 39 8.588 -12.857 16.855 1.00 24.42 N ATOM 600 CA GLU A 39 9.535 -13.267 17.884 1.00 12.31 C ATOM 601 C GLU A 39 9.742 -14.779 17.872 1.00 14.54 C ATOM 602 O GLU A 39 8.794 -15.545 18.055 1.00 3.41 O ATOM 603 CB GLU A 39 9.046 -12.826 19.263 1.00 45.13 C ATOM 604 CG GLU A 39 8.845 -11.326 19.393 1.00 72.52 C ATOM 605 CD GLU A 39 8.252 -10.941 20.727 1.00 31.14 C ATOM 606 OE1 GLU A 39 7.049 -11.198 20.939 1.00 5.53 O ATOM 607 OE2 GLU A 39 8.985 -10.386 21.572 1.00 51.15 O1- ATOM 0 H GLU A 39 7.652 -13.249 16.962 1.00 24.42 H new ATOM 0 HA GLU A 39 10.489 -12.786 17.669 1.00 12.31 H new ATOM 0 HB2 GLU A 39 8.104 -13.329 19.482 1.00 45.13 H new ATOM 0 HB3 GLU A 39 9.765 -13.153 20.014 1.00 45.13 H new ATOM 0 HG2 GLU A 39 9.802 -10.821 19.264 1.00 72.52 H new ATOM 0 HG3 GLU A 39 8.191 -10.979 18.593 1.00 72.52 H new ATOM 614 N ILE A 40 10.983 -15.202 17.662 1.00 4.54 N ATOM 615 CA ILE A 40 11.322 -16.621 17.682 1.00 42.33 C ATOM 616 C ILE A 40 12.221 -16.941 18.871 1.00 75.11 C ATOM 617 O ILE A 40 12.851 -16.047 19.448 1.00 0.45 O ATOM 618 CB ILE A 40 12.018 -17.080 16.384 1.00 22.13 C ATOM 619 CG1 ILE A 40 13.310 -16.291 16.155 1.00 63.20 C ATOM 620 CG2 ILE A 40 11.075 -16.929 15.200 1.00 63.11 C ATOM 621 CD1 ILE A 40 14.136 -16.794 14.991 1.00 11.34 C ATOM 0 H ILE A 40 11.772 -14.583 17.476 1.00 4.54 H new ATOM 0 HA ILE A 40 10.380 -17.163 17.770 1.00 42.33 H new ATOM 0 HB ILE A 40 12.280 -18.133 16.484 1.00 22.13 H new ATOM 0 HG12 ILE A 40 13.060 -15.244 15.985 1.00 63.20 H new ATOM 0 HG13 ILE A 40 13.914 -16.331 17.061 1.00 63.20 H new ATOM 0 HG21 ILE A 40 11.578 -17.256 14.290 1.00 63.11 H new ATOM 0 HG22 ILE A 40 10.186 -17.539 15.363 1.00 63.11 H new ATOM 0 HG23 ILE A 40 10.784 -15.884 15.098 1.00 63.11 H new ATOM 0 HD11 ILE A 40 15.035 -16.185 14.892 1.00 11.34 H new ATOM 0 HD12 ILE A 40 14.419 -17.832 15.167 1.00 11.34 H new ATOM 0 HD13 ILE A 40 13.551 -16.728 14.074 1.00 11.34 H new ATOM 633 N GLU A 41 12.286 -18.216 19.222 1.00 61.12 N ATOM 634 CA GLU A 41 13.031 -18.657 20.394 1.00 13.03 C ATOM 635 C GLU A 41 14.045 -19.742 20.024 1.00 60.15 C ATOM 636 O GLU A 41 13.850 -20.475 19.059 1.00 54.15 O ATOM 637 CB GLU A 41 12.044 -19.166 21.447 1.00 74.33 C ATOM 638 CG GLU A 41 12.688 -19.680 22.720 1.00 15.40 C ATOM 639 CD GLU A 41 11.675 -19.944 23.810 1.00 2.52 C ATOM 640 OE1 GLU A 41 11.648 -19.176 24.793 1.00 21.53 O ATOM 641 OE2 GLU A 41 10.902 -20.916 23.692 1.00 65.45 O1- ATOM 0 H GLU A 41 11.829 -18.969 18.709 1.00 61.12 H new ATOM 0 HA GLU A 41 13.593 -17.816 20.801 1.00 13.03 H new ATOM 0 HB2 GLU A 41 11.358 -18.359 21.703 1.00 74.33 H new ATOM 0 HB3 GLU A 41 11.446 -19.966 21.009 1.00 74.33 H new ATOM 0 HG2 GLU A 41 13.233 -20.599 22.503 1.00 15.40 H new ATOM 0 HG3 GLU A 41 13.418 -18.952 23.074 1.00 15.40 H new ATOM 648 N TYR A 42 15.126 -19.826 20.793 1.00 75.13 N ATOM 649 CA TYR A 42 16.187 -20.802 20.553 1.00 70.02 C ATOM 650 C TYR A 42 16.069 -21.984 21.504 1.00 70.13 C ATOM 651 O TYR A 42 16.411 -21.880 22.682 1.00 31.24 O ATOM 652 CB TYR A 42 17.569 -20.165 20.715 1.00 71.13 C ATOM 653 CG TYR A 42 17.988 -19.301 19.553 1.00 14.45 C ATOM 654 CD1 TYR A 42 19.016 -19.698 18.708 1.00 42.45 C ATOM 655 CD2 TYR A 42 17.359 -18.093 19.299 1.00 74.53 C ATOM 656 CE1 TYR A 42 19.406 -18.910 17.642 1.00 52.40 C ATOM 657 CE2 TYR A 42 17.741 -17.304 18.237 1.00 60.14 C ATOM 658 CZ TYR A 42 18.763 -17.714 17.413 1.00 71.20 C ATOM 659 OH TYR A 42 19.143 -16.916 16.356 1.00 33.12 O ATOM 0 H TYR A 42 15.292 -19.222 21.598 1.00 75.13 H new ATOM 0 HA TYR A 42 16.073 -21.154 19.528 1.00 70.02 H new ATOM 0 HB2 TYR A 42 17.575 -19.562 21.623 1.00 71.13 H new ATOM 0 HB3 TYR A 42 18.308 -20.955 20.852 1.00 71.13 H new ATOM 0 HD1 TYR A 42 19.518 -20.637 18.887 1.00 42.45 H new ATOM 0 HD2 TYR A 42 16.557 -17.765 19.944 1.00 74.53 H new ATOM 0 HE1 TYR A 42 20.209 -19.229 16.994 1.00 52.40 H new ATOM 0 HE2 TYR A 42 17.239 -16.366 18.052 1.00 60.14 H new ATOM 0 HH TYR A 42 18.351 -16.661 15.837 1.00 33.12 H new ATOM 669 N VAL A 43 15.556 -23.090 20.999 1.00 14.33 N ATOM 670 CA VAL A 43 15.449 -24.309 21.786 1.00 13.01 C ATOM 671 C VAL A 43 16.529 -25.303 21.374 1.00 43.53 C ATOM 672 O VAL A 43 17.178 -25.130 20.341 1.00 23.35 O ATOM 673 CB VAL A 43 14.059 -24.966 21.640 1.00 2.42 C ATOM 674 CG1 VAL A 43 12.977 -24.055 22.200 1.00 12.10 C ATOM 675 CG2 VAL A 43 13.769 -25.305 20.185 1.00 10.23 C ATOM 0 H VAL A 43 15.205 -23.172 20.045 1.00 14.33 H new ATOM 0 HA VAL A 43 15.585 -24.032 22.831 1.00 13.01 H new ATOM 0 HB VAL A 43 14.061 -25.894 22.211 1.00 2.42 H new ATOM 0 HG11 VAL A 43 12.004 -24.534 22.089 1.00 12.10 H new ATOM 0 HG12 VAL A 43 13.170 -23.867 23.256 1.00 12.10 H new ATOM 0 HG13 VAL A 43 12.980 -23.110 21.657 1.00 12.10 H new ATOM 0 HG21 VAL A 43 12.785 -25.767 20.108 1.00 10.23 H new ATOM 0 HG22 VAL A 43 13.790 -24.393 19.588 1.00 10.23 H new ATOM 0 HG23 VAL A 43 14.525 -25.998 19.815 1.00 10.23 H new ATOM 685 N CYS A 44 16.725 -26.336 22.175 1.00 44.41 N ATOM 686 CA CYS A 44 17.707 -27.355 21.856 1.00 33.42 C ATOM 687 C CYS A 44 17.043 -28.475 21.066 1.00 23.24 C ATOM 688 O CYS A 44 15.821 -28.494 20.910 1.00 51.42 O ATOM 689 CB CYS A 44 18.355 -27.901 23.130 1.00 2.24 C ATOM 690 SG CYS A 44 19.785 -28.999 22.831 1.00 3.51 S ATOM 0 H CYS A 44 16.219 -26.490 23.047 1.00 44.41 H new ATOM 0 HA CYS A 44 18.494 -26.910 21.247 1.00 33.42 H new ATOM 0 HB2 CYS A 44 18.677 -27.063 23.748 1.00 2.24 H new ATOM 0 HB3 CYS A 44 17.604 -28.448 23.701 1.00 2.24 H new ATOM 695 N ARG A 45 17.843 -29.402 20.567 1.00 62.05 N ATOM 696 CA ARG A 45 17.335 -30.462 19.719 1.00 5.01 C ATOM 697 C ARG A 45 16.630 -31.529 20.553 1.00 54.03 C ATOM 698 O ARG A 45 17.273 -32.390 21.153 1.00 24.32 O ATOM 699 CB ARG A 45 18.480 -31.077 18.901 1.00 71.44 C ATOM 700 CG ARG A 45 18.024 -31.777 17.627 1.00 42.32 C ATOM 701 CD ARG A 45 17.332 -33.098 17.914 1.00 12.32 C ATOM 702 NE ARG A 45 16.574 -33.583 16.764 1.00 32.41 N ATOM 703 CZ ARG A 45 15.710 -34.593 16.821 1.00 70.05 C ATOM 704 NH1 ARG A 45 15.569 -35.288 17.944 1.00 54.35 N1+ ATOM 705 NH2 ARG A 45 15.010 -34.928 15.745 1.00 35.41 N ATOM 0 H ARG A 45 18.848 -29.440 20.736 1.00 62.05 H new ATOM 0 HA ARG A 45 16.605 -30.038 19.030 1.00 5.01 H new ATOM 0 HB2 ARG A 45 19.188 -30.291 18.638 1.00 71.44 H new ATOM 0 HB3 ARG A 45 19.015 -31.793 19.525 1.00 71.44 H new ATOM 0 HG2 ARG A 45 17.344 -31.124 17.079 1.00 42.32 H new ATOM 0 HG3 ARG A 45 18.886 -31.953 16.983 1.00 42.32 H new ATOM 0 HD2 ARG A 45 18.076 -33.842 18.197 1.00 12.32 H new ATOM 0 HD3 ARG A 45 16.661 -32.978 18.765 1.00 12.32 H new ATOM 0 HE ARG A 45 16.715 -33.121 15.866 1.00 32.41 H new ATOM 0 HH11 ARG A 45 16.124 -35.048 18.765 1.00 54.35 H new ATOM 0 HH12 ARG A 45 14.906 -36.062 17.985 1.00 54.35 H new ATOM 0 HH21 ARG A 45 15.134 -34.411 14.874 1.00 35.41 H new ATOM 0 HH22 ARG A 45 14.347 -35.702 15.788 1.00 35.41 H new ATOM 719 N GLY A 46 15.308 -31.439 20.611 1.00 62.21 N ATOM 720 CA GLY A 46 14.517 -32.478 21.237 1.00 35.13 C ATOM 721 C GLY A 46 14.078 -32.132 22.645 1.00 50.42 C ATOM 722 O GLY A 46 13.417 -31.119 22.870 1.00 24.32 O ATOM 0 H GLY A 46 14.768 -30.661 20.233 1.00 62.21 H new ATOM 0 HA2 GLY A 46 13.635 -32.671 20.626 1.00 35.13 H new ATOM 0 HA3 GLY A 46 15.096 -33.401 21.261 1.00 35.13 H new ATOM 726 N GLU A 47 14.457 -32.978 23.591 1.00 62.41 N ATOM 727 CA GLU A 47 14.022 -32.841 24.976 1.00 21.42 C ATOM 728 C GLU A 47 15.149 -32.304 25.851 1.00 12.53 C ATOM 729 O GLU A 47 15.252 -32.633 27.034 1.00 4.41 O ATOM 730 CB GLU A 47 13.523 -34.195 25.492 1.00 22.13 C ATOM 731 CG GLU A 47 14.498 -35.340 25.258 1.00 11.01 C ATOM 732 CD GLU A 47 13.917 -36.690 25.624 1.00 54.23 C ATOM 733 OE1 GLU A 47 13.178 -37.272 24.796 1.00 31.03 O ATOM 734 OE2 GLU A 47 14.202 -37.184 26.734 1.00 71.43 O1- ATOM 0 H GLU A 47 15.071 -33.775 23.424 1.00 62.41 H new ATOM 0 HA GLU A 47 13.204 -32.122 25.021 1.00 21.42 H new ATOM 0 HB2 GLU A 47 13.322 -34.114 26.560 1.00 22.13 H new ATOM 0 HB3 GLU A 47 12.576 -34.432 25.006 1.00 22.13 H new ATOM 0 HG2 GLU A 47 14.795 -35.350 24.209 1.00 11.01 H new ATOM 0 HG3 GLU A 47 15.401 -35.167 25.843 1.00 11.01 H new ATOM 741 N ARG A 48 15.983 -31.461 25.262 1.00 3.22 N ATOM 742 CA ARG A 48 17.091 -30.843 25.976 1.00 11.31 C ATOM 743 C ARG A 48 16.844 -29.343 26.091 1.00 51.34 C ATOM 744 O ARG A 48 16.289 -28.732 25.177 1.00 74.21 O ATOM 745 CB ARG A 48 18.409 -31.103 25.242 1.00 14.32 C ATOM 746 CG ARG A 48 18.648 -32.569 24.912 1.00 42.31 C ATOM 747 CD ARG A 48 18.750 -33.420 26.167 1.00 42.54 C ATOM 748 NE ARG A 48 19.970 -33.142 26.922 1.00 62.44 N ATOM 749 CZ ARG A 48 20.243 -33.669 28.112 1.00 10.24 C ATOM 750 NH1 ARG A 48 19.358 -34.448 28.716 1.00 25.54 N1+ ATOM 751 NH2 ARG A 48 21.401 -33.413 28.705 1.00 20.12 N ATOM 0 H ARG A 48 15.912 -31.187 24.282 1.00 3.22 H new ATOM 0 HA ARG A 48 17.160 -31.277 26.973 1.00 11.31 H new ATOM 0 HB2 ARG A 48 18.420 -30.526 24.318 1.00 14.32 H new ATOM 0 HB3 ARG A 48 19.234 -30.739 25.855 1.00 14.32 H new ATOM 0 HG2 ARG A 48 17.835 -32.938 24.287 1.00 42.31 H new ATOM 0 HG3 ARG A 48 19.565 -32.666 24.331 1.00 42.31 H new ATOM 0 HD2 ARG A 48 17.882 -33.236 26.801 1.00 42.54 H new ATOM 0 HD3 ARG A 48 18.727 -34.475 25.892 1.00 42.54 H new ATOM 0 HE ARG A 48 20.653 -32.505 26.512 1.00 62.44 H new ATOM 0 HH11 ARG A 48 18.463 -34.646 28.268 1.00 25.54 H new ATOM 0 HH12 ARG A 48 19.572 -34.850 29.629 1.00 25.54 H new ATOM 0 HH21 ARG A 48 22.086 -32.810 28.248 1.00 20.12 H new ATOM 0 HH22 ARG A 48 21.607 -33.819 29.618 1.00 20.12 H new ATOM 765 N GLU A 49 17.240 -28.751 27.208 1.00 44.11 N ATOM 766 CA GLU A 49 17.022 -27.328 27.425 1.00 30.02 C ATOM 767 C GLU A 49 18.320 -26.533 27.303 1.00 63.13 C ATOM 768 O GLU A 49 19.419 -27.092 27.342 1.00 72.31 O ATOM 769 CB GLU A 49 16.381 -27.083 28.793 1.00 5.24 C ATOM 770 CG GLU A 49 15.028 -27.758 28.964 1.00 21.11 C ATOM 771 CD GLU A 49 15.107 -29.072 29.715 1.00 74.41 C ATOM 772 OE1 GLU A 49 14.165 -29.375 30.480 1.00 50.41 O ATOM 773 OE2 GLU A 49 16.112 -29.798 29.564 1.00 41.04 O1- ATOM 0 H GLU A 49 17.712 -29.231 27.975 1.00 44.11 H new ATOM 0 HA GLU A 49 16.342 -26.981 26.647 1.00 30.02 H new ATOM 0 HB2 GLU A 49 17.056 -27.441 29.570 1.00 5.24 H new ATOM 0 HB3 GLU A 49 16.263 -26.010 28.942 1.00 5.24 H new ATOM 0 HG2 GLU A 49 14.357 -27.083 29.495 1.00 21.11 H new ATOM 0 HG3 GLU A 49 14.590 -27.934 27.981 1.00 21.11 H new ATOM 780 N VAL A 50 18.172 -25.221 27.163 1.00 34.14 N ATOM 781 CA VAL A 50 19.300 -24.314 26.997 1.00 54.31 C ATOM 782 C VAL A 50 19.198 -23.165 27.990 1.00 4.42 C ATOM 783 O VAL A 50 18.100 -22.825 28.435 1.00 41.03 O ATOM 784 CB VAL A 50 19.362 -23.716 25.570 1.00 15.41 C ATOM 785 CG1 VAL A 50 19.553 -24.802 24.528 1.00 14.02 C ATOM 786 CG2 VAL A 50 18.114 -22.897 25.265 1.00 31.42 C ATOM 0 H VAL A 50 17.264 -24.756 27.161 1.00 34.14 H new ATOM 0 HA VAL A 50 20.203 -24.899 27.172 1.00 54.31 H new ATOM 0 HB VAL A 50 20.225 -23.052 25.529 1.00 15.41 H new ATOM 0 HG11 VAL A 50 19.593 -24.352 23.536 1.00 14.02 H new ATOM 0 HG12 VAL A 50 20.485 -25.333 24.723 1.00 14.02 H new ATOM 0 HG13 VAL A 50 18.719 -25.502 24.575 1.00 14.02 H new ATOM 0 HG21 VAL A 50 18.184 -22.489 24.257 1.00 31.42 H new ATOM 0 HG22 VAL A 50 17.233 -23.535 25.338 1.00 31.42 H new ATOM 0 HG23 VAL A 50 18.031 -22.080 25.982 1.00 31.42 H new ATOM 796 N VAL A 51 20.328 -22.594 28.370 1.00 23.20 N ATOM 797 CA VAL A 51 20.314 -21.375 29.165 1.00 2.24 C ATOM 798 C VAL A 51 20.930 -20.223 28.365 1.00 12.52 C ATOM 799 O VAL A 51 22.150 -20.097 28.244 1.00 73.23 O ATOM 800 CB VAL A 51 21.032 -21.555 30.530 1.00 35.20 C ATOM 801 CG1 VAL A 51 22.464 -22.042 30.357 1.00 24.00 C ATOM 802 CG2 VAL A 51 21.001 -20.263 31.330 1.00 4.13 C ATOM 0 H VAL A 51 21.258 -22.949 28.145 1.00 23.20 H new ATOM 0 HA VAL A 51 19.275 -21.135 29.390 1.00 2.24 H new ATOM 0 HB VAL A 51 20.489 -22.321 31.083 1.00 35.20 H new ATOM 0 HG11 VAL A 51 22.931 -22.155 31.336 1.00 24.00 H new ATOM 0 HG12 VAL A 51 22.462 -23.003 29.843 1.00 24.00 H new ATOM 0 HG13 VAL A 51 23.026 -21.317 29.768 1.00 24.00 H new ATOM 0 HG21 VAL A 51 21.510 -20.412 32.282 1.00 4.13 H new ATOM 0 HG22 VAL A 51 21.505 -19.476 30.769 1.00 4.13 H new ATOM 0 HG23 VAL A 51 19.966 -19.973 31.513 1.00 4.13 H new ATOM 812 N GLY A 52 20.070 -19.426 27.753 1.00 43.00 N ATOM 813 CA GLY A 52 20.529 -18.288 26.986 1.00 12.21 C ATOM 814 C GLY A 52 19.477 -17.208 26.887 1.00 21.54 C ATOM 815 O GLY A 52 18.314 -17.451 27.212 1.00 21.14 O ATOM 0 H GLY A 52 19.057 -19.547 27.774 1.00 43.00 H new ATOM 0 HA2 GLY A 52 21.427 -17.878 27.449 1.00 12.21 H new ATOM 0 HA3 GLY A 52 20.808 -18.615 25.984 1.00 12.21 H new ATOM 819 N PRO A 53 19.847 -15.998 26.445 1.00 41.45 N ATOM 820 CA PRO A 53 18.876 -14.957 26.111 1.00 13.20 C ATOM 821 C PRO A 53 18.185 -15.269 24.781 1.00 34.33 C ATOM 822 O PRO A 53 18.355 -14.558 23.787 1.00 53.40 O ATOM 823 CB PRO A 53 19.727 -13.692 26.004 1.00 30.31 C ATOM 824 CG PRO A 53 21.093 -14.175 25.652 1.00 70.42 C ATOM 825 CD PRO A 53 21.238 -15.544 26.263 1.00 22.42 C ATOM 0 HA PRO A 53 18.078 -14.866 26.848 1.00 13.20 H new ATOM 0 HB2 PRO A 53 19.338 -13.018 25.241 1.00 30.31 H new ATOM 0 HB3 PRO A 53 19.733 -13.140 26.944 1.00 30.31 H new ATOM 0 HG2 PRO A 53 21.222 -14.218 24.570 1.00 70.42 H new ATOM 0 HG3 PRO A 53 21.855 -13.497 26.037 1.00 70.42 H new ATOM 0 HD2 PRO A 53 21.796 -16.216 25.611 1.00 22.42 H new ATOM 0 HD3 PRO A 53 21.773 -15.504 27.212 1.00 22.42 H new ATOM 833 N LYS A 54 17.420 -16.354 24.780 1.00 53.33 N ATOM 834 CA LYS A 54 16.786 -16.861 23.571 1.00 53.43 C ATOM 835 C LYS A 54 15.550 -16.048 23.202 1.00 54.24 C ATOM 836 O LYS A 54 14.436 -16.348 23.632 1.00 72.35 O ATOM 837 CB LYS A 54 16.425 -18.344 23.741 1.00 14.34 C ATOM 838 CG LYS A 54 15.815 -18.674 25.099 1.00 2.25 C ATOM 839 CD LYS A 54 15.254 -20.086 25.145 1.00 62.01 C ATOM 840 CE LYS A 54 14.595 -20.379 26.486 1.00 22.54 C ATOM 841 NZ LYS A 54 13.441 -19.478 26.759 1.00 20.32 N1+ ATOM 0 H LYS A 54 17.223 -16.905 25.615 1.00 53.33 H new ATOM 0 HA LYS A 54 17.500 -16.762 22.753 1.00 53.43 H new ATOM 0 HB2 LYS A 54 15.723 -18.630 22.958 1.00 14.34 H new ATOM 0 HB3 LYS A 54 17.323 -18.946 23.600 1.00 14.34 H new ATOM 0 HG2 LYS A 54 16.573 -18.560 25.874 1.00 2.25 H new ATOM 0 HG3 LYS A 54 15.021 -17.961 25.322 1.00 2.25 H new ATOM 0 HD2 LYS A 54 14.526 -20.216 24.344 1.00 62.01 H new ATOM 0 HD3 LYS A 54 16.055 -20.803 24.967 1.00 62.01 H new ATOM 0 HE2 LYS A 54 14.256 -21.415 26.503 1.00 22.54 H new ATOM 0 HE3 LYS A 54 15.332 -20.272 27.282 1.00 22.54 H new ATOM 0 HZ1 LYS A 54 12.811 -19.923 27.457 1.00 20.32 H new ATOM 0 HZ2 LYS A 54 13.789 -18.573 27.134 1.00 20.32 H new ATOM 0 HZ3 LYS A 54 12.917 -19.309 25.877 1.00 20.32 H new ATOM 855 N VAL A 55 15.764 -15.009 22.413 1.00 2.14 N ATOM 856 CA VAL A 55 14.679 -14.182 21.916 1.00 11.43 C ATOM 857 C VAL A 55 15.133 -13.394 20.689 1.00 43.22 C ATOM 858 O VAL A 55 16.194 -12.763 20.692 1.00 65.24 O ATOM 859 CB VAL A 55 14.149 -13.216 23.007 1.00 34.24 C ATOM 860 CG1 VAL A 55 15.257 -12.319 23.542 1.00 71.14 C ATOM 861 CG2 VAL A 55 12.989 -12.381 22.478 1.00 74.12 C ATOM 0 H VAL A 55 16.690 -14.716 22.100 1.00 2.14 H new ATOM 0 HA VAL A 55 13.861 -14.845 21.634 1.00 11.43 H new ATOM 0 HB VAL A 55 13.784 -13.824 23.835 1.00 34.24 H new ATOM 0 HG11 VAL A 55 14.851 -11.655 24.305 1.00 71.14 H new ATOM 0 HG12 VAL A 55 16.044 -12.934 23.978 1.00 71.14 H new ATOM 0 HG13 VAL A 55 15.670 -11.725 22.727 1.00 71.14 H new ATOM 0 HG21 VAL A 55 12.635 -11.712 23.262 1.00 74.12 H new ATOM 0 HG22 VAL A 55 13.324 -11.793 21.623 1.00 74.12 H new ATOM 0 HG23 VAL A 55 12.177 -13.040 22.170 1.00 74.12 H new ATOM 871 N ARG A 56 14.348 -13.466 19.629 1.00 3.44 N ATOM 872 CA ARG A 56 14.632 -12.718 18.414 1.00 30.34 C ATOM 873 C ARG A 56 13.402 -11.965 17.968 1.00 34.22 C ATOM 874 O ARG A 56 12.306 -12.514 17.977 1.00 45.24 O ATOM 875 CB ARG A 56 15.063 -13.648 17.280 1.00 31.13 C ATOM 876 CG ARG A 56 16.318 -14.440 17.558 1.00 60.22 C ATOM 877 CD ARG A 56 17.527 -13.543 17.714 1.00 12.52 C ATOM 878 NE ARG A 56 18.757 -14.321 17.791 1.00 73.32 N ATOM 879 CZ ARG A 56 19.701 -14.131 18.703 1.00 41.54 C ATOM 880 NH1 ARG A 56 19.538 -13.225 19.659 1.00 41.24 N1+ ATOM 881 NH2 ARG A 56 20.798 -14.865 18.674 1.00 53.04 N ATOM 0 H ARG A 56 13.504 -14.037 19.584 1.00 3.44 H new ATOM 0 HA ARG A 56 15.442 -12.024 18.639 1.00 30.34 H new ATOM 0 HB2 ARG A 56 14.250 -14.343 17.069 1.00 31.13 H new ATOM 0 HB3 ARG A 56 15.216 -13.054 16.379 1.00 31.13 H new ATOM 0 HG2 ARG A 56 16.183 -15.028 18.466 1.00 60.22 H new ATOM 0 HG3 ARG A 56 16.491 -15.144 16.744 1.00 60.22 H new ATOM 0 HD2 ARG A 56 17.582 -12.854 16.871 1.00 12.52 H new ATOM 0 HD3 ARG A 56 17.420 -12.938 18.614 1.00 12.52 H new ATOM 0 HE ARG A 56 18.901 -15.058 17.100 1.00 73.32 H new ATOM 0 HH11 ARG A 56 18.683 -12.670 19.695 1.00 41.24 H new ATOM 0 HH12 ARG A 56 20.268 -13.084 20.357 1.00 41.24 H new ATOM 0 HH21 ARG A 56 20.917 -15.575 17.952 1.00 53.04 H new ATOM 0 HH22 ARG A 56 21.526 -14.722 19.374 1.00 53.04 H new ATOM 895 N LYS A 57 13.584 -10.721 17.575 1.00 33.31 N ATOM 896 CA LYS A 57 12.500 -9.946 17.010 1.00 4.11 C ATOM 897 C LYS A 57 12.904 -9.453 15.634 1.00 15.33 C ATOM 898 O LYS A 57 13.956 -8.837 15.472 1.00 3.22 O ATOM 899 CB LYS A 57 12.138 -8.778 17.929 1.00 43.11 C ATOM 900 CG LYS A 57 10.938 -7.976 17.454 1.00 71.30 C ATOM 901 CD LYS A 57 10.463 -7.009 18.522 1.00 14.43 C ATOM 902 CE LYS A 57 9.960 -7.751 19.749 1.00 11.33 C ATOM 903 NZ LYS A 57 9.576 -6.821 20.839 1.00 52.31 N1+ ATOM 0 H LYS A 57 14.473 -10.225 17.637 1.00 33.31 H new ATOM 0 HA LYS A 57 11.615 -10.575 16.915 1.00 4.11 H new ATOM 0 HB2 LYS A 57 11.934 -9.163 18.928 1.00 43.11 H new ATOM 0 HB3 LYS A 57 12.998 -8.113 18.013 1.00 43.11 H new ATOM 0 HG2 LYS A 57 11.201 -7.424 16.552 1.00 71.30 H new ATOM 0 HG3 LYS A 57 10.127 -8.654 17.188 1.00 71.30 H new ATOM 0 HD2 LYS A 57 11.280 -6.345 18.805 1.00 14.43 H new ATOM 0 HD3 LYS A 57 9.667 -6.382 18.121 1.00 14.43 H new ATOM 0 HE2 LYS A 57 9.101 -8.364 19.476 1.00 11.33 H new ATOM 0 HE3 LYS A 57 10.735 -8.429 20.106 1.00 11.33 H new ATOM 0 HZ1 LYS A 57 9.238 -7.366 21.658 1.00 52.31 H new ATOM 0 HZ2 LYS A 57 10.401 -6.253 21.118 1.00 52.31 H new ATOM 0 HZ3 LYS A 57 8.818 -6.191 20.507 1.00 52.31 H new ATOM 917 N CYS A 58 12.094 -9.771 14.641 1.00 72.13 N ATOM 918 CA CYS A 58 12.399 -9.397 13.269 1.00 62.31 C ATOM 919 C CYS A 58 12.327 -7.884 13.094 1.00 74.10 C ATOM 920 O CYS A 58 11.417 -7.232 13.611 1.00 14.35 O ATOM 921 CB CYS A 58 11.451 -10.091 12.295 1.00 65.03 C ATOM 922 SG CYS A 58 11.840 -9.766 10.548 1.00 34.12 S ATOM 0 H CYS A 58 11.221 -10.286 14.757 1.00 72.13 H new ATOM 0 HA CYS A 58 13.416 -9.722 13.049 1.00 62.31 H new ATOM 0 HB2 CYS A 58 11.484 -11.166 12.472 1.00 65.03 H new ATOM 0 HB3 CYS A 58 10.431 -9.765 12.499 1.00 65.03 H new ATOM 927 N LEU A 59 13.291 -7.337 12.370 1.00 20.31 N ATOM 928 CA LEU A 59 13.388 -5.899 12.179 1.00 35.20 C ATOM 929 C LEU A 59 12.901 -5.502 10.792 1.00 35.41 C ATOM 930 O LEU A 59 12.477 -6.348 10.009 1.00 75.32 O ATOM 931 CB LEU A 59 14.834 -5.444 12.371 1.00 75.13 C ATOM 932 CG LEU A 59 15.419 -5.713 13.759 1.00 73.02 C ATOM 933 CD1 LEU A 59 16.882 -5.305 13.808 1.00 24.20 C ATOM 934 CD2 LEU A 59 14.624 -4.980 14.830 1.00 11.24 C ATOM 0 H LEU A 59 14.022 -7.872 11.902 1.00 20.31 H new ATOM 0 HA LEU A 59 12.754 -5.411 12.920 1.00 35.20 H new ATOM 0 HB2 LEU A 59 15.457 -5.942 11.628 1.00 75.13 H new ATOM 0 HB3 LEU A 59 14.892 -4.374 12.170 1.00 75.13 H new ATOM 0 HG LEU A 59 15.352 -6.783 13.957 1.00 73.02 H new ATOM 0 HD11 LEU A 59 17.282 -5.503 14.802 1.00 24.20 H new ATOM 0 HD12 LEU A 59 17.444 -5.877 13.070 1.00 24.20 H new ATOM 0 HD13 LEU A 59 16.971 -4.241 13.587 1.00 24.20 H new ATOM 0 HD21 LEU A 59 15.057 -5.185 15.809 1.00 11.24 H new ATOM 0 HD22 LEU A 59 14.656 -3.908 14.637 1.00 11.24 H new ATOM 0 HD23 LEU A 59 13.589 -5.321 14.812 1.00 11.24 H new ATOM 946 N ALA A 60 12.962 -4.210 10.497 1.00 33.55 N ATOM 947 CA ALA A 60 12.560 -3.691 9.193 1.00 14.42 C ATOM 948 C ALA A 60 13.668 -3.885 8.155 1.00 34.01 C ATOM 949 O ALA A 60 13.712 -3.195 7.135 1.00 3.23 O ATOM 950 CB ALA A 60 12.187 -2.219 9.308 1.00 21.55 C ATOM 0 H ALA A 60 13.289 -3.496 11.148 1.00 33.55 H new ATOM 0 HA ALA A 60 11.687 -4.251 8.857 1.00 14.42 H new ATOM 0 HB1 ALA A 60 11.889 -1.842 8.330 1.00 21.55 H new ATOM 0 HB2 ALA A 60 11.359 -2.107 10.008 1.00 21.55 H new ATOM 0 HB3 ALA A 60 13.046 -1.653 9.669 1.00 21.55 H new ATOM 956 N ASN A 61 14.547 -4.837 8.420 1.00 62.21 N ATOM 957 CA ASN A 61 15.644 -5.160 7.522 1.00 25.33 C ATOM 958 C ASN A 61 15.809 -6.672 7.457 1.00 24.31 C ATOM 959 O ASN A 61 15.184 -7.396 8.231 1.00 33.40 O ATOM 960 CB ASN A 61 16.948 -4.488 7.982 1.00 32.31 C ATOM 961 CG ASN A 61 17.357 -4.886 9.389 1.00 74.35 C ATOM 962 OD1 ASN A 61 16.953 -4.254 10.366 1.00 1.31 O ATOM 963 ND2 ASN A 61 18.180 -5.916 9.504 1.00 4.55 N ATOM 0 H ASN A 61 14.520 -5.408 9.264 1.00 62.21 H new ATOM 0 HA ASN A 61 15.414 -4.780 6.527 1.00 25.33 H new ATOM 0 HB2 ASN A 61 17.748 -4.749 7.290 1.00 32.31 H new ATOM 0 HB3 ASN A 61 16.828 -3.406 7.937 1.00 32.31 H new ATOM 0 HD21 ASN A 61 18.502 -6.211 10.426 1.00 4.55 H new ATOM 0 HD22 ASN A 61 18.493 -6.415 8.671 1.00 4.55 H new ATOM 970 N GLY A 62 16.656 -7.143 6.555 1.00 21.23 N ATOM 971 CA GLY A 62 16.790 -8.571 6.329 1.00 43.34 C ATOM 972 C GLY A 62 17.648 -9.276 7.369 1.00 30.15 C ATOM 973 O GLY A 62 18.586 -9.994 7.016 1.00 74.22 O ATOM 0 H GLY A 62 17.257 -6.561 5.972 1.00 21.23 H new ATOM 0 HA2 GLY A 62 15.798 -9.023 6.321 1.00 43.34 H new ATOM 0 HA3 GLY A 62 17.223 -8.735 5.342 1.00 43.34 H new ATOM 977 N SER A 63 17.329 -9.079 8.645 1.00 32.44 N ATOM 978 CA SER A 63 18.033 -9.744 9.737 1.00 55.04 C ATOM 979 C SER A 63 17.296 -9.505 11.052 1.00 64.31 C ATOM 980 O SER A 63 16.511 -8.564 11.171 1.00 34.44 O ATOM 981 CB SER A 63 19.482 -9.246 9.844 1.00 2.41 C ATOM 982 OG SER A 63 20.243 -10.059 10.723 1.00 62.04 O ATOM 0 H SER A 63 16.580 -8.458 8.950 1.00 32.44 H new ATOM 0 HA SER A 63 18.058 -10.813 9.528 1.00 55.04 H new ATOM 0 HB2 SER A 63 19.942 -9.245 8.856 1.00 2.41 H new ATOM 0 HB3 SER A 63 19.489 -8.216 10.200 1.00 2.41 H new ATOM 0 HG SER A 63 21.161 -9.719 10.770 1.00 62.04 H new ATOM 988 N TRP A 64 17.554 -10.361 12.033 1.00 43.33 N ATOM 989 CA TRP A 64 16.892 -10.268 13.326 1.00 43.33 C ATOM 990 C TRP A 64 17.662 -9.317 14.243 1.00 14.23 C ATOM 991 O TRP A 64 18.704 -8.781 13.855 1.00 63.32 O ATOM 992 CB TRP A 64 16.776 -11.660 13.964 1.00 65.43 C ATOM 993 CG TRP A 64 15.991 -12.637 13.135 1.00 63.21 C ATOM 994 CD1 TRP A 64 16.440 -13.346 12.059 1.00 40.32 C ATOM 995 CD2 TRP A 64 14.620 -13.016 13.319 1.00 51.21 C ATOM 996 NE1 TRP A 64 15.438 -14.147 11.565 1.00 61.14 N ATOM 997 CE2 TRP A 64 14.311 -13.960 12.320 1.00 3.21 C ATOM 998 CE3 TRP A 64 13.627 -12.654 14.229 1.00 55.00 C ATOM 999 CZ2 TRP A 64 13.050 -14.540 12.207 1.00 45.44 C ATOM 1000 CZ3 TRP A 64 12.376 -13.228 14.115 1.00 13.34 C ATOM 1001 CH2 TRP A 64 12.098 -14.164 13.113 1.00 30.45 C ATOM 0 H TRP A 64 18.220 -11.130 11.956 1.00 43.33 H new ATOM 0 HA TRP A 64 15.887 -9.871 13.182 1.00 43.33 H new ATOM 0 HB2 TRP A 64 17.777 -12.059 14.130 1.00 65.43 H new ATOM 0 HB3 TRP A 64 16.304 -11.564 14.942 1.00 65.43 H new ATOM 0 HD1 TRP A 64 17.439 -13.286 11.654 1.00 40.32 H new ATOM 0 HE1 TRP A 64 15.520 -14.777 10.767 1.00 61.14 H new ATOM 0 HE3 TRP A 64 13.833 -11.937 15.010 1.00 55.00 H new ATOM 0 HZ2 TRP A 64 12.832 -15.260 11.432 1.00 45.44 H new ATOM 0 HZ3 TRP A 64 11.599 -12.949 14.811 1.00 13.34 H new ATOM 0 HH2 TRP A 64 11.111 -14.598 13.054 1.00 30.45 H new ATOM 1012 N THR A 65 17.152 -9.123 15.455 1.00 64.24 N ATOM 1013 CA THR A 65 17.742 -8.191 16.414 1.00 62.45 C ATOM 1014 C THR A 65 19.203 -8.518 16.730 1.00 71.12 C ATOM 1015 O THR A 65 20.020 -7.619 16.934 1.00 30.41 O ATOM 1016 CB THR A 65 16.922 -8.175 17.718 1.00 0.54 C ATOM 1017 OG1 THR A 65 16.389 -9.486 17.981 1.00 14.20 O ATOM 1018 CG2 THR A 65 15.787 -7.165 17.638 1.00 4.51 C ATOM 0 H THR A 65 16.322 -9.604 15.801 1.00 64.24 H new ATOM 0 HA THR A 65 17.720 -7.205 15.949 1.00 62.45 H new ATOM 0 HB THR A 65 17.585 -7.883 18.532 1.00 0.54 H new ATOM 0 HG1 THR A 65 15.871 -9.468 18.812 1.00 14.20 H new ATOM 0 HG21 THR A 65 15.225 -7.175 18.572 1.00 4.51 H new ATOM 0 HG22 THR A 65 16.197 -6.169 17.472 1.00 4.51 H new ATOM 0 HG23 THR A 65 15.125 -7.427 16.813 1.00 4.51 H new ATOM 1026 N ASP A 66 19.532 -9.797 16.767 1.00 71.12 N ATOM 1027 CA ASP A 66 20.891 -10.224 17.067 1.00 34.33 C ATOM 1028 C ASP A 66 21.197 -11.531 16.361 1.00 13.42 C ATOM 1029 O ASP A 66 20.307 -12.365 16.196 1.00 3.12 O ATOM 1030 CB ASP A 66 21.073 -10.423 18.582 1.00 63.41 C ATOM 1031 CG ASP A 66 22.464 -10.905 18.948 1.00 40.15 C ATOM 1032 OD1 ASP A 66 22.675 -12.133 19.018 1.00 25.14 O ATOM 1033 OD2 ASP A 66 23.356 -10.059 19.170 1.00 24.04 O1- ATOM 0 H ASP A 66 18.878 -10.560 16.593 1.00 71.12 H new ATOM 0 HA ASP A 66 21.573 -9.448 16.719 1.00 34.33 H new ATOM 0 HB2 ASP A 66 20.873 -9.482 19.094 1.00 63.41 H new ATOM 0 HB3 ASP A 66 20.338 -11.143 18.940 1.00 63.41 H new ATOM 1038 N MET A 67 22.431 -11.701 15.912 1.00 22.12 N ATOM 1039 CA MET A 67 22.903 -13.028 15.566 1.00 54.13 C ATOM 1040 C MET A 67 24.313 -13.235 16.105 1.00 53.22 C ATOM 1041 O MET A 67 25.298 -13.140 15.369 1.00 32.02 O ATOM 1042 CB MET A 67 22.912 -13.229 14.042 1.00 11.22 C ATOM 1043 CG MET A 67 21.549 -13.127 13.371 1.00 72.34 C ATOM 1044 SD MET A 67 21.652 -13.356 11.584 1.00 2.02 S ATOM 1045 CE MET A 67 19.922 -13.294 11.132 1.00 10.45 C ATOM 0 H MET A 67 23.110 -10.952 15.781 1.00 22.12 H new ATOM 0 HA MET A 67 22.224 -13.754 16.013 1.00 54.13 H new ATOM 0 HB2 MET A 67 23.576 -12.488 13.597 1.00 11.22 H new ATOM 0 HB3 MET A 67 23.336 -14.209 13.822 1.00 11.22 H new ATOM 0 HG2 MET A 67 20.880 -13.877 13.794 1.00 72.34 H new ATOM 0 HG3 MET A 67 21.112 -12.152 13.586 1.00 72.34 H new ATOM 0 HE1 MET A 67 19.573 -14.298 10.890 1.00 10.45 H new ATOM 0 HE2 MET A 67 19.342 -12.900 11.966 1.00 10.45 H new ATOM 0 HE3 MET A 67 19.796 -12.647 10.264 1.00 10.45 H new ATOM 1055 N ASP A 68 24.389 -13.471 17.408 1.00 24.31 N ATOM 1056 CA ASP A 68 25.560 -14.040 18.068 1.00 2.01 C ATOM 1057 C ASP A 68 25.187 -14.393 19.498 1.00 63.14 C ATOM 1058 O ASP A 68 25.306 -13.557 20.395 1.00 55.15 O ATOM 1059 CB ASP A 68 26.762 -13.090 18.060 1.00 13.54 C ATOM 1060 CG ASP A 68 27.983 -13.707 18.727 1.00 11.43 C ATOM 1061 OD1 ASP A 68 28.557 -13.075 19.638 1.00 34.44 O ATOM 1062 OD2 ASP A 68 28.376 -14.831 18.343 1.00 51.53 O1- ATOM 0 H ASP A 68 23.623 -13.269 18.050 1.00 24.31 H new ATOM 0 HA ASP A 68 25.861 -14.929 17.515 1.00 2.01 H new ATOM 0 HB2 ASP A 68 27.007 -12.824 17.032 1.00 13.54 H new ATOM 0 HB3 ASP A 68 26.497 -12.166 18.574 1.00 13.54 H new ATOM 1067 N THR A 69 24.702 -15.593 19.726 1.00 35.52 N ATOM 1068 CA THR A 69 24.241 -15.956 21.052 1.00 74.33 C ATOM 1069 C THR A 69 24.546 -17.417 21.347 1.00 61.54 C ATOM 1070 O THR A 69 23.992 -18.318 20.715 1.00 13.04 O ATOM 1071 CB THR A 69 22.730 -15.692 21.200 1.00 11.41 C ATOM 1072 OG1 THR A 69 22.416 -14.390 20.695 1.00 32.14 O ATOM 1073 CG2 THR A 69 22.292 -15.762 22.652 1.00 22.51 C ATOM 0 H THR A 69 24.616 -16.327 19.023 1.00 35.52 H new ATOM 0 HA THR A 69 24.774 -15.335 21.772 1.00 74.33 H new ATOM 0 HB THR A 69 22.204 -16.462 20.635 1.00 11.41 H new ATOM 0 HG1 THR A 69 21.882 -13.902 21.357 1.00 32.14 H new ATOM 0 HG21 THR A 69 21.221 -15.571 22.719 1.00 22.51 H new ATOM 0 HG22 THR A 69 22.509 -16.753 23.050 1.00 22.51 H new ATOM 0 HG23 THR A 69 22.831 -15.012 23.231 1.00 22.51 H new ATOM 1081 N PRO A 70 25.442 -17.663 22.313 1.00 34.41 N ATOM 1082 CA PRO A 70 25.871 -19.010 22.690 1.00 42.43 C ATOM 1083 C PRO A 70 24.837 -19.733 23.550 1.00 23.34 C ATOM 1084 O PRO A 70 25.119 -20.112 24.688 1.00 64.14 O ATOM 1085 CB PRO A 70 27.164 -18.773 23.492 1.00 61.51 C ATOM 1086 CG PRO A 70 27.434 -17.305 23.420 1.00 11.35 C ATOM 1087 CD PRO A 70 26.121 -16.647 23.118 1.00 41.03 C ATOM 0 HA PRO A 70 26.009 -19.646 21.816 1.00 42.43 H new ATOM 0 HB2 PRO A 70 27.046 -19.097 24.526 1.00 61.51 H new ATOM 0 HB3 PRO A 70 27.993 -19.343 23.072 1.00 61.51 H new ATOM 0 HG2 PRO A 70 27.844 -16.939 24.361 1.00 11.35 H new ATOM 0 HG3 PRO A 70 28.167 -17.083 22.645 1.00 11.35 H new ATOM 0 HD2 PRO A 70 25.566 -16.410 24.026 1.00 41.03 H new ATOM 0 HD3 PRO A 70 26.250 -15.713 22.570 1.00 41.03 H new ATOM 1095 N SER A 71 23.641 -19.910 23.007 1.00 21.45 N ATOM 1096 CA SER A 71 22.608 -20.674 23.680 1.00 53.41 C ATOM 1097 C SER A 71 22.989 -22.147 23.680 1.00 14.12 C ATOM 1098 O SER A 71 22.812 -22.852 22.685 1.00 73.30 O ATOM 1099 CB SER A 71 21.265 -20.452 22.986 1.00 41.55 C ATOM 1100 OG SER A 71 21.399 -20.558 21.580 1.00 70.34 O ATOM 0 H SER A 71 23.365 -19.533 22.100 1.00 21.45 H new ATOM 0 HA SER A 71 22.514 -20.341 24.714 1.00 53.41 H new ATOM 0 HB2 SER A 71 20.541 -21.185 23.343 1.00 41.55 H new ATOM 0 HB3 SER A 71 20.876 -19.467 23.245 1.00 41.55 H new ATOM 0 HG SER A 71 21.908 -21.366 21.360 1.00 70.34 H new ATOM 1106 N ARG A 72 23.538 -22.595 24.794 1.00 45.03 N ATOM 1107 CA ARG A 72 24.092 -23.933 24.881 1.00 4.44 C ATOM 1108 C ARG A 72 23.150 -24.885 25.599 1.00 75.30 C ATOM 1109 O ARG A 72 22.487 -24.514 26.571 1.00 23.40 O ATOM 1110 CB ARG A 72 25.453 -23.888 25.578 1.00 34.44 C ATOM 1111 CG ARG A 72 25.431 -23.183 26.925 1.00 12.31 C ATOM 1112 CD ARG A 72 26.837 -22.962 27.459 1.00 24.33 C ATOM 1113 NE ARG A 72 27.665 -22.213 26.513 1.00 52.22 N ATOM 1114 CZ ARG A 72 28.260 -21.051 26.783 1.00 64.42 C ATOM 1115 NH1 ARG A 72 28.145 -20.499 27.984 1.00 45.44 N1+ ATOM 1116 NH2 ARG A 72 28.987 -20.450 25.845 1.00 31.31 N ATOM 0 H ARG A 72 23.612 -22.050 25.653 1.00 45.03 H new ATOM 0 HA ARG A 72 24.223 -24.313 23.868 1.00 4.44 H new ATOM 0 HB2 ARG A 72 25.813 -24.907 25.718 1.00 34.44 H new ATOM 0 HB3 ARG A 72 26.168 -23.385 24.927 1.00 34.44 H new ATOM 0 HG2 ARG A 72 24.923 -22.224 26.827 1.00 12.31 H new ATOM 0 HG3 ARG A 72 24.858 -23.776 27.638 1.00 12.31 H new ATOM 0 HD2 ARG A 72 26.786 -22.422 28.405 1.00 24.33 H new ATOM 0 HD3 ARG A 72 27.303 -23.925 27.667 1.00 24.33 H new ATOM 0 HE ARG A 72 27.796 -22.608 25.582 1.00 52.22 H new ATOM 0 HH11 ARG A 72 27.598 -20.964 28.709 1.00 45.44 H new ATOM 0 HH12 ARG A 72 28.603 -19.610 28.183 1.00 45.44 H new ATOM 0 HH21 ARG A 72 29.087 -20.878 24.925 1.00 31.31 H new ATOM 0 HH22 ARG A 72 29.444 -19.561 26.046 1.00 31.31 H new ATOM 1130 N CYS A 73 23.093 -26.109 25.099 1.00 4.41 N ATOM 1131 CA CYS A 73 22.264 -27.146 25.689 1.00 74.22 C ATOM 1132 C CYS A 73 22.913 -27.669 26.961 1.00 15.32 C ATOM 1133 O CYS A 73 23.999 -28.251 26.921 1.00 21.44 O ATOM 1134 CB CYS A 73 22.064 -28.293 24.700 1.00 72.10 C ATOM 1135 SG CYS A 73 21.387 -27.779 23.090 1.00 53.24 S ATOM 0 H CYS A 73 23.617 -26.410 24.277 1.00 4.41 H new ATOM 0 HA CYS A 73 21.291 -26.718 25.933 1.00 74.22 H new ATOM 0 HB2 CYS A 73 23.021 -28.789 24.538 1.00 72.10 H new ATOM 0 HB3 CYS A 73 21.395 -29.029 25.145 1.00 72.10 H new ATOM 1140 N VAL A 74 22.256 -27.452 28.086 1.00 70.53 N ATOM 1141 CA VAL A 74 22.785 -27.875 29.371 1.00 64.52 C ATOM 1142 C VAL A 74 21.643 -28.206 30.324 1.00 43.42 C ATOM 1143 O VAL A 74 20.711 -27.418 30.500 1.00 34.31 O ATOM 1144 CB VAL A 74 23.715 -26.798 29.987 1.00 54.13 C ATOM 1145 CG1 VAL A 74 23.002 -25.458 30.108 1.00 11.41 C ATOM 1146 CG2 VAL A 74 24.253 -27.253 31.337 1.00 43.31 C ATOM 0 H VAL A 74 21.351 -26.983 28.136 1.00 70.53 H new ATOM 0 HA VAL A 74 23.384 -28.771 29.210 1.00 64.52 H new ATOM 0 HB VAL A 74 24.561 -26.664 29.313 1.00 54.13 H new ATOM 0 HG11 VAL A 74 23.680 -24.723 30.543 1.00 11.41 H new ATOM 0 HG12 VAL A 74 22.689 -25.122 29.120 1.00 11.41 H new ATOM 0 HG13 VAL A 74 22.127 -25.568 30.748 1.00 11.41 H new ATOM 0 HG21 VAL A 74 24.903 -26.481 31.749 1.00 43.31 H new ATOM 0 HG22 VAL A 74 23.421 -27.430 32.019 1.00 43.31 H new ATOM 0 HG23 VAL A 74 24.821 -28.175 31.211 1.00 43.31 H new ATOM 1156 N ARG A 75 21.709 -29.384 30.917 1.00 64.45 N ATOM 1157 CA ARG A 75 20.667 -29.843 31.811 1.00 54.13 C ATOM 1158 C ARG A 75 21.130 -29.736 33.253 1.00 45.21 C ATOM 1159 O ARG A 75 20.635 -28.840 33.970 1.00 37.22 O ATOM 1160 CB ARG A 75 20.271 -31.283 31.478 1.00 55.34 C ATOM 1161 CG ARG A 75 18.802 -31.436 31.126 1.00 43.51 C ATOM 1162 CD ARG A 75 17.911 -31.112 32.313 1.00 51.22 C ATOM 1163 NE ARG A 75 16.501 -31.049 31.943 1.00 74.41 N ATOM 1164 CZ ARG A 75 15.507 -31.516 32.698 1.00 23.14 C ATOM 1165 NH1 ARG A 75 15.771 -32.143 33.839 1.00 33.54 N1+ ATOM 1166 NH2 ARG A 75 14.250 -31.343 32.311 1.00 4.05 N ATOM 1167 OXT ARG A 75 22.006 -30.529 33.659 1.00 37.22 O ATOM 0 H ARG A 75 22.479 -30.042 30.793 1.00 64.45 H new ATOM 0 HA ARG A 75 19.790 -29.209 31.680 1.00 54.13 H new ATOM 0 HB2 ARG A 75 20.876 -31.635 30.643 1.00 55.34 H new ATOM 0 HB3 ARG A 75 20.502 -31.922 32.330 1.00 55.34 H new ATOM 0 HG2 ARG A 75 18.555 -30.777 30.293 1.00 43.51 H new ATOM 0 HG3 ARG A 75 18.610 -32.456 30.793 1.00 43.51 H new ATOM 0 HD2 ARG A 75 18.049 -31.868 33.086 1.00 51.22 H new ATOM 0 HD3 ARG A 75 18.215 -30.158 32.743 1.00 51.22 H new ATOM 0 HE ARG A 75 16.261 -30.620 31.049 1.00 74.41 H new ATOM 0 HH11 ARG A 75 16.737 -32.269 34.140 1.00 33.54 H new ATOM 0 HH12 ARG A 75 15.007 -32.499 34.414 1.00 33.54 H new ATOM 0 HH21 ARG A 75 14.048 -30.854 31.439 1.00 4.05 H new ATOM 0 HH22 ARG A 75 13.486 -31.699 32.886 1.00 4.05 H new