USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 779 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 41 MET CE :methyl 160:sc= -0.122 (180deg=-0.657) USER MOD Set 1.2: A 43 MET CE :methyl 150:sc= -0.733 (180deg=-1.4) USER MOD Single : A 4 GLN : amide:sc= -0.992 K(o=-0.99,f=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.311 X(o=-0.31,f=-0.74) USER MOD Single : A 11 LYS NZ :NH3+ -116:sc= 1.05 (180deg=-1.03) USER MOD Single : A 12 SER OG : rot 71:sc= 1.06 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc=-0.00148 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 36 HIS : no HE2:sc= 0.232 K(o=0.23,f=-5.5!) USER MOD Single : A 38 MET CE :methyl -161:sc= -0.115 (180deg=-0.601) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -160:sc= 1.22 (180deg=0.784) USER MOD Single : A 59 SER OG : rot -50:sc= 1.05 USER MOD Single : A 63 TYR OH : rot 30:sc= 0 USER MOD Single : A 65 TYR OH : rot 100:sc= 1.52 USER MOD Single : A 71 GLN : amide:sc= -2.11! C(o=-2.1!,f=-14!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.21 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 77 ASN : amide:sc= -0.0225 X(o=-0.022,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HE2:sc= -0.636 K(o=-0.64,f=-1.5!) USER MOD Single : A 88 SER OG : rot 170:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N GLN A 4 4.799 -0.067 10.918 1.00 64.50 N ATOM 50 CA GLN A 4 5.124 -0.919 9.769 1.00 33.22 C ATOM 51 C GLN A 4 4.414 -2.275 9.842 1.00 2.12 C ATOM 52 O GLN A 4 4.471 -2.971 10.857 1.00 4.24 O ATOM 53 CB GLN A 4 6.634 -1.149 9.674 1.00 22.32 C ATOM 54 CG GLN A 4 7.441 0.114 9.398 1.00 50.40 C ATOM 55 CD GLN A 4 8.928 -0.163 9.260 1.00 62.14 C ATOM 56 OE1 GLN A 4 9.639 0.523 8.533 1.00 21.13 O ATOM 57 NE2 GLN A 4 9.408 -1.181 9.950 1.00 62.22 N ATOM 0 HA GLN A 4 4.775 -0.394 8.880 1.00 33.22 H new ATOM 0 HB2 GLN A 4 6.982 -1.593 10.607 1.00 22.32 H new ATOM 0 HB3 GLN A 4 6.831 -1.873 8.883 1.00 22.32 H new ATOM 0 HG2 GLN A 4 7.076 0.582 8.484 1.00 50.40 H new ATOM 0 HG3 GLN A 4 7.281 0.827 10.207 1.00 50.40 H new ATOM 0 HE21 GLN A 4 8.789 -1.731 10.545 1.00 62.22 H new ATOM 0 HE22 GLN A 4 10.398 -1.418 9.888 1.00 62.22 H new ATOM 66 N SER A 5 3.761 -2.651 8.750 1.00 50.03 N ATOM 67 CA SER A 5 3.135 -3.975 8.633 1.00 15.20 C ATOM 68 C SER A 5 4.006 -4.910 7.784 1.00 0.32 C ATOM 69 O SER A 5 4.617 -4.478 6.809 1.00 63.32 O ATOM 70 CB SER A 5 1.741 -3.856 7.997 1.00 14.22 C ATOM 71 OG SER A 5 1.121 -5.130 7.857 1.00 71.24 O ATOM 0 H SER A 5 3.647 -2.060 7.926 1.00 50.03 H new ATOM 0 HA SER A 5 3.037 -4.392 9.635 1.00 15.20 H new ATOM 0 HB2 SER A 5 1.114 -3.210 8.611 1.00 14.22 H new ATOM 0 HB3 SER A 5 1.825 -3.382 7.019 1.00 14.22 H new ATOM 0 HG SER A 5 0.236 -5.020 7.451 1.00 71.24 H new ATOM 77 N ASP A 6 4.076 -6.185 8.158 1.00 64.41 N ATOM 78 CA ASP A 6 4.808 -7.176 7.360 1.00 42.42 C ATOM 79 C ASP A 6 3.906 -7.758 6.255 1.00 42.42 C ATOM 80 O ASP A 6 2.675 -7.675 6.330 1.00 60.02 O ATOM 81 CB ASP A 6 5.341 -8.296 8.263 1.00 43.53 C ATOM 82 CG ASP A 6 6.263 -9.252 7.524 1.00 74.54 C ATOM 83 OD1 ASP A 6 5.758 -10.147 6.813 1.00 23.51 O ATOM 84 OD2 ASP A 6 7.495 -9.103 7.637 1.00 11.24 O ATOM 0 H ASP A 6 3.640 -6.558 9.001 1.00 64.41 H new ATOM 0 HA ASP A 6 5.653 -6.679 6.884 1.00 42.42 H new ATOM 0 HB2 ASP A 6 5.878 -7.856 9.103 1.00 43.53 H new ATOM 0 HB3 ASP A 6 4.502 -8.854 8.678 1.00 43.53 H new ATOM 89 N ALA A 7 4.526 -8.357 5.239 1.00 73.45 N ATOM 90 CA ALA A 7 3.799 -8.916 4.097 1.00 33.45 C ATOM 91 C ALA A 7 2.784 -9.993 4.521 1.00 53.42 C ATOM 92 O ALA A 7 1.611 -9.924 4.155 1.00 12.04 O ATOM 93 CB ALA A 7 4.788 -9.484 3.084 1.00 61.20 C ATOM 0 H ALA A 7 5.538 -8.469 5.183 1.00 73.45 H new ATOM 0 HA ALA A 7 3.230 -8.107 3.639 1.00 33.45 H new ATOM 0 HB1 ALA A 7 4.243 -9.899 2.236 1.00 61.20 H new ATOM 0 HB2 ALA A 7 5.449 -8.690 2.737 1.00 61.20 H new ATOM 0 HB3 ALA A 7 5.380 -10.269 3.554 1.00 61.20 H new ATOM 99 N HIS A 8 3.221 -10.985 5.305 1.00 42.44 N ATOM 100 CA HIS A 8 2.309 -12.060 5.728 1.00 44.31 C ATOM 101 C HIS A 8 1.316 -11.592 6.796 1.00 33.51 C ATOM 102 O HIS A 8 0.226 -12.144 6.911 1.00 13.54 O ATOM 103 CB HIS A 8 3.051 -13.333 6.176 1.00 1.21 C ATOM 104 CG HIS A 8 4.331 -13.106 6.914 1.00 64.22 C ATOM 105 ND1 HIS A 8 5.547 -13.487 6.401 1.00 12.15 N ATOM 106 CD2 HIS A 8 4.590 -12.579 8.136 1.00 52.15 C ATOM 107 CE1 HIS A 8 6.498 -13.205 7.258 1.00 74.41 C ATOM 108 NE2 HIS A 8 5.949 -12.652 8.322 1.00 74.11 N ATOM 0 H HIS A 8 4.176 -11.069 5.654 1.00 42.44 H new ATOM 0 HA HIS A 8 1.735 -12.325 4.840 1.00 44.31 H new ATOM 0 HB2 HIS A 8 2.384 -13.917 6.811 1.00 1.21 H new ATOM 0 HB3 HIS A 8 3.263 -13.938 5.295 1.00 1.21 H new ATOM 0 HD2 HIS A 8 3.866 -12.178 8.830 1.00 52.15 H new ATOM 0 HE1 HIS A 8 7.552 -13.393 7.117 1.00 74.41 H new ATOM 0 HE2 HIS A 8 6.452 -12.331 9.149 1.00 74.11 H new ATOM 117 N VAL A 9 1.688 -10.582 7.574 1.00 31.11 N ATOM 118 CA VAL A 9 0.753 -9.979 8.530 1.00 25.54 C ATOM 119 C VAL A 9 -0.463 -9.392 7.794 1.00 74.41 C ATOM 120 O VAL A 9 -1.613 -9.669 8.143 1.00 54.32 O ATOM 121 CB VAL A 9 1.438 -8.871 9.374 1.00 45.51 C ATOM 122 CG1 VAL A 9 0.437 -8.187 10.306 1.00 42.04 C ATOM 123 CG2 VAL A 9 2.605 -9.451 10.168 1.00 3.33 C ATOM 0 H VAL A 9 2.618 -10.164 7.566 1.00 31.11 H new ATOM 0 HA VAL A 9 0.421 -10.767 9.206 1.00 25.54 H new ATOM 0 HB VAL A 9 1.825 -8.116 8.690 1.00 45.51 H new ATOM 0 HG11 VAL A 9 0.946 -7.416 10.884 1.00 42.04 H new ATOM 0 HG12 VAL A 9 -0.358 -7.732 9.715 1.00 42.04 H new ATOM 0 HG13 VAL A 9 0.008 -8.925 10.984 1.00 42.04 H new ATOM 0 HG21 VAL A 9 3.074 -8.661 10.754 1.00 3.33 H new ATOM 0 HG22 VAL A 9 2.239 -10.230 10.836 1.00 3.33 H new ATOM 0 HG23 VAL A 9 3.337 -9.877 9.481 1.00 3.33 H new ATOM 133 N LEU A 10 -0.201 -8.600 6.755 1.00 33.14 N ATOM 134 CA LEU A 10 -1.272 -8.047 5.922 1.00 30.21 C ATOM 135 C LEU A 10 -1.981 -9.160 5.124 1.00 22.32 C ATOM 136 O LEU A 10 -3.205 -9.148 4.981 1.00 13.44 O ATOM 137 CB LEU A 10 -0.704 -6.983 4.972 1.00 4.22 C ATOM 138 CG LEU A 10 -1.739 -6.254 4.091 1.00 61.14 C ATOM 139 CD1 LEU A 10 -2.768 -5.517 4.948 1.00 42.12 C ATOM 140 CD2 LEU A 10 -1.044 -5.290 3.131 1.00 61.33 C ATOM 0 H LEU A 10 0.739 -8.327 6.469 1.00 33.14 H new ATOM 0 HA LEU A 10 -2.009 -7.580 6.575 1.00 30.21 H new ATOM 0 HB2 LEU A 10 -0.171 -6.240 5.565 1.00 4.22 H new ATOM 0 HB3 LEU A 10 0.030 -7.458 4.321 1.00 4.22 H new ATOM 0 HG LEU A 10 -2.269 -7.003 3.502 1.00 61.14 H new ATOM 0 HD11 LEU A 10 -3.485 -5.012 4.301 1.00 42.12 H new ATOM 0 HD12 LEU A 10 -3.292 -6.232 5.583 1.00 42.12 H new ATOM 0 HD13 LEU A 10 -2.261 -4.781 5.572 1.00 42.12 H new ATOM 0 HD21 LEU A 10 -1.791 -4.785 2.518 1.00 61.33 H new ATOM 0 HD22 LEU A 10 -0.483 -4.550 3.701 1.00 61.33 H new ATOM 0 HD23 LEU A 10 -0.362 -5.846 2.488 1.00 61.33 H new ATOM 152 N LYS A 11 -1.205 -10.124 4.615 1.00 1.34 N ATOM 153 CA LYS A 11 -1.767 -11.264 3.874 1.00 65.12 C ATOM 154 C LYS A 11 -2.767 -12.053 4.735 1.00 22.11 C ATOM 155 O LYS A 11 -3.867 -12.382 4.287 1.00 70.45 O ATOM 156 CB LYS A 11 -0.648 -12.198 3.382 1.00 62.41 C ATOM 157 CG LYS A 11 -1.155 -13.335 2.497 1.00 52.40 C ATOM 158 CD LYS A 11 -0.067 -14.357 2.175 1.00 32.25 C ATOM 159 CE LYS A 11 -0.658 -15.604 1.521 1.00 41.32 C ATOM 160 NZ LYS A 11 0.360 -16.656 1.284 1.00 12.54 N ATOM 0 H LYS A 11 -0.189 -10.139 4.701 1.00 1.34 H new ATOM 0 HA LYS A 11 -2.299 -10.863 3.011 1.00 65.12 H new ATOM 0 HB2 LYS A 11 0.085 -11.614 2.826 1.00 62.41 H new ATOM 0 HB3 LYS A 11 -0.132 -12.620 4.244 1.00 62.41 H new ATOM 0 HG2 LYS A 11 -1.984 -13.837 2.996 1.00 52.40 H new ATOM 0 HG3 LYS A 11 -1.546 -12.921 1.568 1.00 52.40 H new ATOM 0 HD2 LYS A 11 0.671 -13.909 1.510 1.00 32.25 H new ATOM 0 HD3 LYS A 11 0.456 -14.636 3.090 1.00 32.25 H new ATOM 0 HE2 LYS A 11 -1.448 -16.004 2.156 1.00 41.32 H new ATOM 0 HE3 LYS A 11 -1.120 -15.329 0.573 1.00 41.32 H new ATOM 0 HZ1 LYS A 11 0.462 -16.817 0.262 1.00 12.54 H new ATOM 0 HZ2 LYS A 11 1.273 -16.351 1.679 1.00 12.54 H new ATOM 0 HZ3 LYS A 11 0.061 -17.539 1.745 1.00 12.54 H new ATOM 174 N SER A 12 -2.384 -12.333 5.983 1.00 51.12 N ATOM 175 CA SER A 12 -3.264 -13.043 6.921 1.00 3.23 C ATOM 176 C SER A 12 -4.518 -12.214 7.209 1.00 61.03 C ATOM 177 O SER A 12 -5.592 -12.757 7.442 1.00 4.32 O ATOM 178 CB SER A 12 -2.540 -13.364 8.243 1.00 24.33 C ATOM 179 OG SER A 12 -1.367 -14.134 8.026 1.00 11.33 O ATOM 0 H SER A 12 -1.474 -12.081 6.369 1.00 51.12 H new ATOM 0 HA SER A 12 -3.551 -13.984 6.451 1.00 3.23 H new ATOM 0 HB2 SER A 12 -2.277 -12.435 8.749 1.00 24.33 H new ATOM 0 HB3 SER A 12 -3.215 -13.907 8.905 1.00 24.33 H new ATOM 0 HG SER A 12 -0.681 -13.574 7.606 1.00 11.33 H new ATOM 185 N ARG A 13 -4.378 -10.893 7.188 1.00 44.11 N ATOM 186 CA ARG A 13 -5.525 -9.994 7.349 1.00 53.22 C ATOM 187 C ARG A 13 -6.438 -10.015 6.108 1.00 72.01 C ATOM 188 O ARG A 13 -7.643 -9.797 6.212 1.00 12.10 O ATOM 189 CB ARG A 13 -5.045 -8.569 7.643 1.00 1.00 C ATOM 190 CG ARG A 13 -4.369 -8.429 9.001 1.00 20.52 C ATOM 191 CD ARG A 13 -3.802 -7.027 9.214 1.00 42.31 C ATOM 192 NE ARG A 13 -3.149 -6.899 10.514 1.00 43.33 N ATOM 193 CZ ARG A 13 -2.252 -6.001 10.807 1.00 25.44 C ATOM 194 NH1 ARG A 13 -1.891 -5.115 9.937 1.00 53.54 N ATOM 195 NH2 ARG A 13 -1.713 -5.994 11.978 1.00 54.21 N ATOM 0 H ARG A 13 -3.485 -10.417 7.061 1.00 44.11 H new ATOM 0 HA ARG A 13 -6.113 -10.349 8.195 1.00 53.22 H new ATOM 0 HB2 ARG A 13 -4.348 -8.260 6.864 1.00 1.00 H new ATOM 0 HB3 ARG A 13 -5.896 -7.890 7.597 1.00 1.00 H new ATOM 0 HG2 ARG A 13 -5.088 -8.653 9.789 1.00 20.52 H new ATOM 0 HG3 ARG A 13 -3.566 -9.162 9.084 1.00 20.52 H new ATOM 0 HD2 ARG A 13 -3.086 -6.800 8.424 1.00 42.31 H new ATOM 0 HD3 ARG A 13 -4.605 -6.294 9.137 1.00 42.31 H new ATOM 0 HE ARG A 13 -3.414 -7.560 11.244 1.00 43.33 H new ATOM 0 HH11 ARG A 13 -2.310 -5.113 9.007 1.00 53.54 H new ATOM 0 HH12 ARG A 13 -1.187 -4.418 10.181 1.00 53.54 H new ATOM 0 HH21 ARG A 13 -1.989 -6.690 12.671 1.00 54.21 H new ATOM 0 HH22 ARG A 13 -1.010 -5.293 12.212 1.00 54.21 H new ATOM 209 N LEU A 14 -5.862 -10.267 4.937 1.00 55.34 N ATOM 210 CA LEU A 14 -6.646 -10.421 3.711 1.00 32.34 C ATOM 211 C LEU A 14 -7.431 -11.749 3.737 1.00 44.53 C ATOM 212 O LEU A 14 -8.650 -11.769 3.562 1.00 34.14 O ATOM 213 CB LEU A 14 -5.706 -10.364 2.489 1.00 60.44 C ATOM 214 CG LEU A 14 -6.347 -9.889 1.172 1.00 0.22 C ATOM 215 CD1 LEU A 14 -5.283 -9.641 0.106 1.00 12.23 C ATOM 216 CD2 LEU A 14 -7.387 -10.884 0.656 1.00 44.33 C ATOM 0 H LEU A 14 -4.855 -10.369 4.808 1.00 55.34 H new ATOM 0 HA LEU A 14 -7.367 -9.607 3.640 1.00 32.34 H new ATOM 0 HB2 LEU A 14 -4.873 -9.702 2.725 1.00 60.44 H new ATOM 0 HB3 LEU A 14 -5.287 -11.358 2.330 1.00 60.44 H new ATOM 0 HG LEU A 14 -6.858 -8.950 1.385 1.00 0.22 H new ATOM 0 HD11 LEU A 14 -5.761 -9.306 -0.815 1.00 12.23 H new ATOM 0 HD12 LEU A 14 -4.591 -8.875 0.454 1.00 12.23 H new ATOM 0 HD13 LEU A 14 -4.736 -10.565 -0.084 1.00 12.23 H new ATOM 0 HD21 LEU A 14 -7.816 -10.512 -0.275 1.00 44.33 H new ATOM 0 HD22 LEU A 14 -6.911 -11.848 0.477 1.00 44.33 H new ATOM 0 HD23 LEU A 14 -8.177 -11.002 1.398 1.00 44.33 H new ATOM 228 N GLU A 15 -6.717 -12.847 3.975 1.00 50.33 N ATOM 229 CA GLU A 15 -7.315 -14.190 3.969 1.00 0.54 C ATOM 230 C GLU A 15 -8.144 -14.467 5.242 1.00 71.45 C ATOM 231 O GLU A 15 -9.306 -14.873 5.168 1.00 1.14 O ATOM 232 CB GLU A 15 -6.209 -15.249 3.855 1.00 54.53 C ATOM 233 CG GLU A 15 -5.270 -15.056 2.670 1.00 53.40 C ATOM 234 CD GLU A 15 -4.144 -16.079 2.659 1.00 32.21 C ATOM 235 OE1 GLU A 15 -3.205 -15.945 3.470 1.00 34.14 O ATOM 236 OE2 GLU A 15 -4.196 -17.028 1.849 1.00 3.14 O ATOM 0 H GLU A 15 -5.717 -12.837 4.176 1.00 50.33 H new ATOM 0 HA GLU A 15 -7.986 -14.241 3.112 1.00 0.54 H new ATOM 0 HB2 GLU A 15 -5.621 -15.243 4.773 1.00 54.53 H new ATOM 0 HB3 GLU A 15 -6.672 -16.233 3.779 1.00 54.53 H new ATOM 0 HG2 GLU A 15 -5.837 -15.132 1.742 1.00 53.40 H new ATOM 0 HG3 GLU A 15 -4.847 -14.052 2.703 1.00 53.40 H new ATOM 243 N TRP A 16 -7.526 -14.257 6.402 1.00 73.34 N ATOM 244 CA TRP A 16 -8.138 -14.587 7.704 1.00 44.14 C ATOM 245 C TRP A 16 -8.758 -13.358 8.390 1.00 52.11 C ATOM 246 O TRP A 16 -9.710 -13.480 9.165 1.00 24.41 O ATOM 247 CB TRP A 16 -7.076 -15.201 8.631 1.00 73.55 C ATOM 248 CG TRP A 16 -6.469 -16.465 8.097 1.00 25.44 C ATOM 249 CD1 TRP A 16 -5.627 -16.584 7.032 1.00 53.41 C ATOM 250 CD2 TRP A 16 -6.649 -17.784 8.615 1.00 23.34 C ATOM 251 NE1 TRP A 16 -5.292 -17.901 6.841 1.00 20.34 N ATOM 252 CE2 TRP A 16 -5.904 -18.658 7.806 1.00 25.54 C ATOM 253 CE3 TRP A 16 -7.374 -18.306 9.685 1.00 24.34 C ATOM 254 CZ2 TRP A 16 -5.867 -20.030 8.031 1.00 10.52 C ATOM 255 CZ3 TRP A 16 -7.337 -19.669 9.911 1.00 32.11 C ATOM 256 CH2 TRP A 16 -6.588 -20.517 9.087 1.00 31.11 C ATOM 0 H TRP A 16 -6.591 -13.856 6.475 1.00 73.34 H new ATOM 0 HA TRP A 16 -8.941 -15.299 7.513 1.00 44.14 H new ATOM 0 HB2 TRP A 16 -6.285 -14.470 8.797 1.00 73.55 H new ATOM 0 HB3 TRP A 16 -7.528 -15.407 9.601 1.00 73.55 H new ATOM 0 HD1 TRP A 16 -5.275 -15.762 6.427 1.00 53.41 H new ATOM 0 HE1 TRP A 16 -4.687 -18.258 6.102 1.00 20.34 H new ATOM 0 HE3 TRP A 16 -7.954 -17.658 10.325 1.00 24.34 H new ATOM 0 HZ2 TRP A 16 -5.291 -20.686 7.396 1.00 10.52 H new ATOM 0 HZ3 TRP A 16 -7.895 -20.086 10.736 1.00 32.11 H new ATOM 0 HH2 TRP A 16 -6.579 -21.578 9.289 1.00 31.11 H new ATOM 267 N GLY A 17 -8.205 -12.181 8.107 1.00 41.45 N ATOM 268 CA GLY A 17 -8.664 -10.948 8.742 1.00 43.43 C ATOM 269 C GLY A 17 -9.989 -10.427 8.186 1.00 70.54 C ATOM 270 O GLY A 17 -10.717 -11.144 7.495 1.00 13.23 O ATOM 0 H GLY A 17 -7.440 -12.055 7.444 1.00 41.45 H new ATOM 0 HA2 GLY A 17 -8.772 -11.120 9.813 1.00 43.43 H new ATOM 0 HA3 GLY A 17 -7.901 -10.180 8.618 1.00 43.43 H new ATOM 274 N GLU A 18 -10.301 -9.174 8.492 1.00 74.32 N ATOM 275 CA GLU A 18 -11.538 -8.539 8.027 1.00 62.32 C ATOM 276 C GLU A 18 -11.253 -7.486 6.943 1.00 21.11 C ATOM 277 O GLU A 18 -10.303 -6.712 7.057 1.00 12.31 O ATOM 278 CB GLU A 18 -12.259 -7.889 9.212 1.00 54.41 C ATOM 279 CG GLU A 18 -12.715 -8.888 10.268 1.00 72.14 C ATOM 280 CD GLU A 18 -13.221 -8.215 11.530 1.00 73.50 C ATOM 281 OE1 GLU A 18 -14.369 -7.725 11.529 1.00 34.42 O ATOM 282 OE2 GLU A 18 -12.469 -8.168 12.526 1.00 13.04 O ATOM 0 H GLU A 18 -9.712 -8.569 9.065 1.00 74.32 H new ATOM 0 HA GLU A 18 -12.173 -9.308 7.588 1.00 62.32 H new ATOM 0 HB2 GLU A 18 -11.595 -7.160 9.676 1.00 54.41 H new ATOM 0 HB3 GLU A 18 -13.126 -7.341 8.843 1.00 54.41 H new ATOM 0 HG2 GLU A 18 -13.505 -9.514 9.853 1.00 72.14 H new ATOM 0 HG3 GLU A 18 -11.885 -9.548 10.521 1.00 72.14 H new ATOM 289 N PRO A 19 -12.095 -7.415 5.891 1.00 3.20 N ATOM 290 CA PRO A 19 -11.898 -6.475 4.764 1.00 3.05 C ATOM 291 C PRO A 19 -12.232 -5.005 5.111 1.00 73.12 C ATOM 292 O PRO A 19 -12.751 -4.260 4.274 1.00 0.41 O ATOM 293 CB PRO A 19 -12.870 -7.017 3.705 1.00 51.40 C ATOM 294 CG PRO A 19 -13.965 -7.654 4.491 1.00 30.12 C ATOM 295 CD PRO A 19 -13.301 -8.252 5.705 1.00 64.14 C ATOM 0 HA PRO A 19 -10.855 -6.435 4.449 1.00 3.05 H new ATOM 0 HB2 PRO A 19 -13.251 -6.217 3.070 1.00 51.40 H new ATOM 0 HB3 PRO A 19 -12.381 -7.738 3.050 1.00 51.40 H new ATOM 0 HG2 PRO A 19 -14.719 -6.921 4.778 1.00 30.12 H new ATOM 0 HG3 PRO A 19 -14.473 -8.420 3.905 1.00 30.12 H new ATOM 0 HD2 PRO A 19 -13.953 -8.215 6.578 1.00 64.14 H new ATOM 0 HD3 PRO A 19 -13.042 -9.299 5.545 1.00 64.14 H new ATOM 303 N ALA A 20 -11.897 -4.581 6.330 1.00 53.02 N ATOM 304 CA ALA A 20 -12.186 -3.216 6.788 1.00 15.21 C ATOM 305 C ALA A 20 -10.993 -2.264 6.576 1.00 34.13 C ATOM 306 O ALA A 20 -11.033 -1.104 6.993 1.00 14.43 O ATOM 307 CB ALA A 20 -12.589 -3.241 8.258 1.00 70.15 C ATOM 0 H ALA A 20 -11.424 -5.163 7.022 1.00 53.02 H new ATOM 0 HA ALA A 20 -13.011 -2.833 6.187 1.00 15.21 H new ATOM 0 HB1 ALA A 20 -12.803 -2.226 8.594 1.00 70.15 H new ATOM 0 HB2 ALA A 20 -13.479 -3.859 8.381 1.00 70.15 H new ATOM 0 HB3 ALA A 20 -11.774 -3.656 8.852 1.00 70.15 H new ATOM 313 N PHE A 21 -9.937 -2.757 5.929 1.00 1.34 N ATOM 314 CA PHE A 21 -8.736 -1.949 5.658 1.00 22.01 C ATOM 315 C PHE A 21 -8.558 -1.672 4.151 1.00 13.14 C ATOM 316 O PHE A 21 -9.099 -2.390 3.306 1.00 33.23 O ATOM 317 CB PHE A 21 -7.487 -2.640 6.231 1.00 11.52 C ATOM 318 CG PHE A 21 -7.334 -4.091 5.832 1.00 72.33 C ATOM 319 CD1 PHE A 21 -7.010 -4.441 4.529 1.00 12.53 C ATOM 320 CD2 PHE A 21 -7.520 -5.107 6.762 1.00 1.44 C ATOM 321 CE1 PHE A 21 -6.875 -5.764 4.160 1.00 22.13 C ATOM 322 CE2 PHE A 21 -7.387 -6.431 6.396 1.00 2.13 C ATOM 323 CZ PHE A 21 -7.064 -6.761 5.094 1.00 11.13 C ATOM 0 H PHE A 21 -9.884 -3.714 5.580 1.00 1.34 H new ATOM 0 HA PHE A 21 -8.868 -0.987 6.152 1.00 22.01 H new ATOM 0 HB2 PHE A 21 -6.603 -2.092 5.906 1.00 11.52 H new ATOM 0 HB3 PHE A 21 -7.519 -2.577 7.319 1.00 11.52 H new ATOM 0 HD1 PHE A 21 -6.861 -3.666 3.792 1.00 12.53 H new ATOM 0 HD2 PHE A 21 -7.771 -4.858 7.782 1.00 1.44 H new ATOM 0 HE1 PHE A 21 -6.622 -6.018 3.141 1.00 22.13 H new ATOM 0 HE2 PHE A 21 -7.536 -7.210 7.129 1.00 2.13 H new ATOM 0 HZ PHE A 21 -6.960 -7.797 4.808 1.00 11.13 H new ATOM 333 N THR A 22 -7.792 -0.628 3.827 1.00 62.45 N ATOM 334 CA THR A 22 -7.568 -0.222 2.427 1.00 22.32 C ATOM 335 C THR A 22 -6.071 -0.211 2.072 1.00 13.41 C ATOM 336 O THR A 22 -5.284 0.462 2.726 1.00 33.34 O ATOM 337 CB THR A 22 -8.149 1.189 2.159 1.00 4.03 C ATOM 338 OG1 THR A 22 -9.545 1.221 2.486 1.00 73.45 O ATOM 339 CG2 THR A 22 -7.958 1.600 0.702 1.00 22.54 C ATOM 0 H THR A 22 -7.313 -0.044 4.512 1.00 62.45 H new ATOM 0 HA THR A 22 -8.078 -0.956 1.803 1.00 22.32 H new ATOM 0 HB THR A 22 -7.609 1.895 2.791 1.00 4.03 H new ATOM 0 HG1 THR A 22 -9.901 2.118 2.314 1.00 73.45 H new ATOM 0 HG21 THR A 22 -8.376 2.594 0.547 1.00 22.54 H new ATOM 0 HG22 THR A 22 -6.894 1.612 0.464 1.00 22.54 H new ATOM 0 HG23 THR A 22 -8.467 0.887 0.053 1.00 22.54 H new ATOM 347 N ILE A 23 -5.682 -0.951 1.032 1.00 64.00 N ATOM 348 CA ILE A 23 -4.274 -0.988 0.587 1.00 0.12 C ATOM 349 C ILE A 23 -4.056 -0.069 -0.631 1.00 71.31 C ATOM 350 O ILE A 23 -4.876 -0.046 -1.546 1.00 60.22 O ATOM 351 CB ILE A 23 -3.814 -2.429 0.207 1.00 34.22 C ATOM 352 CG1 ILE A 23 -4.077 -3.430 1.352 1.00 41.20 C ATOM 353 CG2 ILE A 23 -2.333 -2.437 -0.175 1.00 45.42 C ATOM 354 CD1 ILE A 23 -5.523 -3.873 1.465 1.00 45.02 C ATOM 0 H ILE A 23 -6.313 -1.532 0.480 1.00 64.00 H new ATOM 0 HA ILE A 23 -3.679 -0.639 1.431 1.00 0.12 H new ATOM 0 HB ILE A 23 -4.403 -2.745 -0.654 1.00 34.22 H new ATOM 0 HG12 ILE A 23 -3.449 -4.309 1.204 1.00 41.20 H new ATOM 0 HG13 ILE A 23 -3.772 -2.976 2.295 1.00 41.20 H new ATOM 0 HG21 ILE A 23 -2.030 -3.451 -0.437 1.00 45.42 H new ATOM 0 HG22 ILE A 23 -2.174 -1.779 -1.029 1.00 45.42 H new ATOM 0 HG23 ILE A 23 -1.738 -2.087 0.668 1.00 45.42 H new ATOM 0 HD11 ILE A 23 -5.625 -4.575 2.293 1.00 45.02 H new ATOM 0 HD12 ILE A 23 -6.157 -3.005 1.646 1.00 45.02 H new ATOM 0 HD13 ILE A 23 -5.828 -4.358 0.538 1.00 45.02 H new ATOM 366 N LEU A 24 -2.947 0.681 -0.643 1.00 32.43 N ATOM 367 CA LEU A 24 -2.629 1.591 -1.763 1.00 74.33 C ATOM 368 C LEU A 24 -1.251 1.280 -2.383 1.00 33.11 C ATOM 369 O LEU A 24 -0.300 0.933 -1.676 1.00 24.35 O ATOM 370 CB LEU A 24 -2.664 3.054 -1.291 1.00 11.15 C ATOM 371 CG LEU A 24 -3.995 3.526 -0.674 1.00 14.25 C ATOM 372 CD1 LEU A 24 -3.965 5.022 -0.397 1.00 15.24 C ATOM 373 CD2 LEU A 24 -5.172 3.188 -1.579 1.00 24.23 C ATOM 0 H LEU A 24 -2.254 0.680 0.105 1.00 32.43 H new ATOM 0 HA LEU A 24 -3.387 1.436 -2.530 1.00 74.33 H new ATOM 0 HB2 LEU A 24 -1.873 3.198 -0.555 1.00 11.15 H new ATOM 0 HB3 LEU A 24 -2.431 3.696 -2.140 1.00 11.15 H new ATOM 0 HG LEU A 24 -4.123 2.997 0.271 1.00 14.25 H new ATOM 0 HD11 LEU A 24 -4.916 5.331 0.038 1.00 15.24 H new ATOM 0 HD12 LEU A 24 -3.157 5.247 0.299 1.00 15.24 H new ATOM 0 HD13 LEU A 24 -3.801 5.562 -1.330 1.00 15.24 H new ATOM 0 HD21 LEU A 24 -6.097 3.533 -1.117 1.00 24.23 H new ATOM 0 HD22 LEU A 24 -5.042 3.679 -2.543 1.00 24.23 H new ATOM 0 HD23 LEU A 24 -5.220 2.109 -1.725 1.00 24.23 H new ATOM 385 N ASP A 25 -1.154 1.420 -3.708 1.00 23.11 N ATOM 386 CA ASP A 25 0.077 1.120 -4.453 1.00 13.13 C ATOM 387 C ASP A 25 0.818 2.412 -4.852 1.00 15.41 C ATOM 388 O ASP A 25 0.399 3.122 -5.767 1.00 33.14 O ATOM 389 CB ASP A 25 -0.290 0.322 -5.707 1.00 53.15 C ATOM 390 CG ASP A 25 0.884 -0.422 -6.320 1.00 73.13 C ATOM 391 OD1 ASP A 25 2.043 0.039 -6.199 1.00 31.44 O ATOM 392 OD2 ASP A 25 0.647 -1.498 -6.904 1.00 55.11 O ATOM 0 H ASP A 25 -1.923 1.743 -4.295 1.00 23.11 H new ATOM 0 HA ASP A 25 0.743 0.539 -3.816 1.00 13.13 H new ATOM 0 HB2 ASP A 25 -1.072 -0.394 -5.456 1.00 53.15 H new ATOM 0 HB3 ASP A 25 -0.707 1.001 -6.451 1.00 53.15 H new ATOM 397 N VAL A 26 1.937 2.703 -4.188 1.00 2.53 N ATOM 398 CA VAL A 26 2.640 3.976 -4.407 1.00 73.14 C ATOM 399 C VAL A 26 3.867 3.833 -5.321 1.00 61.41 C ATOM 400 O VAL A 26 4.589 4.803 -5.552 1.00 53.54 O ATOM 401 CB VAL A 26 3.068 4.613 -3.065 1.00 32.34 C ATOM 402 CG1 VAL A 26 1.838 4.965 -2.237 1.00 14.01 C ATOM 403 CG2 VAL A 26 4.001 3.683 -2.291 1.00 21.21 C ATOM 0 H VAL A 26 2.374 2.087 -3.503 1.00 2.53 H new ATOM 0 HA VAL A 26 1.927 4.629 -4.911 1.00 73.14 H new ATOM 0 HB VAL A 26 3.618 5.530 -3.276 1.00 32.34 H new ATOM 0 HG11 VAL A 26 2.150 5.413 -1.294 1.00 14.01 H new ATOM 0 HG12 VAL A 26 1.219 5.673 -2.788 1.00 14.01 H new ATOM 0 HG13 VAL A 26 1.263 4.061 -2.036 1.00 14.01 H new ATOM 0 HG21 VAL A 26 4.287 4.155 -1.351 1.00 21.21 H new ATOM 0 HG22 VAL A 26 3.489 2.743 -2.084 1.00 21.21 H new ATOM 0 HG23 VAL A 26 4.894 3.486 -2.885 1.00 21.21 H new ATOM 413 N ARG A 27 4.087 2.636 -5.863 1.00 0.33 N ATOM 414 CA ARG A 27 5.229 2.389 -6.755 1.00 32.11 C ATOM 415 C ARG A 27 5.164 3.257 -8.017 1.00 1.44 C ATOM 416 O ARG A 27 6.018 4.119 -8.253 1.00 4.12 O ATOM 417 CB ARG A 27 5.277 0.909 -7.155 1.00 13.34 C ATOM 418 CG ARG A 27 5.717 -0.020 -6.034 1.00 0.41 C ATOM 419 CD ARG A 27 5.565 -1.483 -6.424 1.00 24.25 C ATOM 420 NE ARG A 27 4.170 -1.885 -6.475 1.00 51.22 N ATOM 421 CZ ARG A 27 3.764 -2.996 -6.999 1.00 54.43 C ATOM 422 NH1 ARG A 27 4.604 -3.812 -7.544 1.00 44.13 N ATOM 423 NH2 ARG A 27 2.516 -3.285 -6.988 1.00 54.53 N ATOM 0 H ARG A 27 3.494 1.822 -5.703 1.00 0.33 H new ATOM 0 HA ARG A 27 6.133 2.654 -6.207 1.00 32.11 H new ATOM 0 HB2 ARG A 27 4.289 0.604 -7.499 1.00 13.34 H new ATOM 0 HB3 ARG A 27 5.958 0.793 -7.998 1.00 13.34 H new ATOM 0 HG2 ARG A 27 6.757 0.183 -5.780 1.00 0.41 H new ATOM 0 HG3 ARG A 27 5.126 0.182 -5.141 1.00 0.41 H new ATOM 0 HD2 ARG A 27 6.027 -1.650 -7.397 1.00 24.25 H new ATOM 0 HD3 ARG A 27 6.097 -2.108 -5.707 1.00 24.25 H new ATOM 0 HE ARG A 27 3.472 -1.257 -6.076 1.00 51.22 H new ATOM 0 HH11 ARG A 27 5.598 -3.583 -7.564 1.00 44.13 H new ATOM 0 HH12 ARG A 27 4.274 -4.685 -7.954 1.00 44.13 H new ATOM 0 HH21 ARG A 27 1.847 -2.640 -6.567 1.00 54.53 H new ATOM 0 HH22 ARG A 27 2.191 -4.160 -7.400 1.00 54.53 H new ATOM 437 N ASP A 28 4.142 3.008 -8.820 1.00 15.21 N ATOM 438 CA ASP A 28 3.949 3.700 -10.089 1.00 5.42 C ATOM 439 C ASP A 28 2.613 3.291 -10.705 1.00 53.35 C ATOM 440 O ASP A 28 2.117 2.197 -10.447 1.00 71.32 O ATOM 441 CB ASP A 28 5.085 3.364 -11.061 1.00 50.33 C ATOM 442 CG ASP A 28 4.909 4.032 -12.408 1.00 2.02 C ATOM 443 OD1 ASP A 28 5.014 5.268 -12.479 1.00 33.03 O ATOM 444 OD2 ASP A 28 4.630 3.323 -13.396 1.00 32.23 O ATOM 0 H ASP A 28 3.420 2.319 -8.612 1.00 15.21 H new ATOM 0 HA ASP A 28 3.950 4.774 -9.902 1.00 5.42 H new ATOM 0 HB2 ASP A 28 6.035 3.674 -10.626 1.00 50.33 H new ATOM 0 HB3 ASP A 28 5.135 2.284 -11.198 1.00 50.33 H new ATOM 449 N ARG A 29 2.040 4.159 -11.528 1.00 61.11 N ATOM 450 CA ARG A 29 0.782 3.847 -12.202 1.00 73.52 C ATOM 451 C ARG A 29 0.919 2.595 -13.090 1.00 64.45 C ATOM 452 O ARG A 29 0.087 1.685 -13.048 1.00 53.03 O ATOM 453 CB ARG A 29 0.332 5.040 -13.051 1.00 53.21 C ATOM 454 CG ARG A 29 -1.049 4.853 -13.654 1.00 31.42 C ATOM 455 CD ARG A 29 -2.133 4.892 -12.578 1.00 30.54 C ATOM 456 NE ARG A 29 -3.470 4.652 -13.113 1.00 62.31 N ATOM 457 CZ ARG A 29 -4.547 5.285 -12.718 1.00 12.11 C ATOM 458 NH1 ARG A 29 -4.467 6.270 -11.876 1.00 71.23 N ATOM 459 NH2 ARG A 29 -5.703 4.943 -13.182 1.00 63.31 N ATOM 0 H ARG A 29 2.421 5.080 -11.746 1.00 61.11 H new ATOM 0 HA ARG A 29 0.032 3.641 -11.438 1.00 73.52 H new ATOM 0 HB2 ARG A 29 0.334 5.939 -12.434 1.00 53.21 H new ATOM 0 HB3 ARG A 29 1.053 5.201 -13.852 1.00 53.21 H new ATOM 0 HG2 ARG A 29 -1.236 5.635 -14.390 1.00 31.42 H new ATOM 0 HG3 ARG A 29 -1.092 3.901 -14.182 1.00 31.42 H new ATOM 0 HD2 ARG A 29 -1.911 4.143 -11.818 1.00 30.54 H new ATOM 0 HD3 ARG A 29 -2.113 5.863 -12.084 1.00 30.54 H new ATOM 0 HE ARG A 29 -3.572 3.946 -13.842 1.00 62.31 H new ATOM 0 HH11 ARG A 29 -3.558 6.559 -11.514 1.00 71.23 H new ATOM 0 HH12 ARG A 29 -5.313 6.755 -11.576 1.00 71.23 H new ATOM 0 HH21 ARG A 29 -5.777 4.181 -13.855 1.00 63.31 H new ATOM 0 HH22 ARG A 29 -6.542 5.435 -12.875 1.00 63.31 H new ATOM 473 N SER A 30 1.984 2.550 -13.881 1.00 74.03 N ATOM 474 CA SER A 30 2.207 1.446 -14.816 1.00 62.23 C ATOM 475 C SER A 30 2.776 0.211 -14.110 1.00 12.22 C ATOM 476 O SER A 30 2.481 -0.920 -14.498 1.00 22.02 O ATOM 477 CB SER A 30 3.138 1.889 -15.950 1.00 74.44 C ATOM 478 OG SER A 30 2.607 3.004 -16.647 1.00 75.21 O ATOM 0 H SER A 30 2.711 3.266 -13.896 1.00 74.03 H new ATOM 0 HA SER A 30 1.240 1.169 -15.237 1.00 62.23 H new ATOM 0 HB2 SER A 30 4.116 2.145 -15.542 1.00 74.44 H new ATOM 0 HB3 SER A 30 3.289 1.062 -16.644 1.00 74.44 H new ATOM 0 HG SER A 30 3.223 3.266 -17.363 1.00 75.21 H new ATOM 484 N THR A 31 3.601 0.425 -13.082 1.00 71.24 N ATOM 485 CA THR A 31 4.086 -0.683 -12.242 1.00 64.14 C ATOM 486 C THR A 31 2.925 -1.317 -11.456 1.00 2.51 C ATOM 487 O THR A 31 2.919 -2.522 -11.193 1.00 12.03 O ATOM 488 CB THR A 31 5.195 -0.224 -11.259 1.00 33.22 C ATOM 489 OG1 THR A 31 6.341 0.229 -11.998 1.00 15.13 O ATOM 490 CG2 THR A 31 5.618 -1.348 -10.313 1.00 23.22 C ATOM 0 H THR A 31 3.947 1.345 -12.810 1.00 71.24 H new ATOM 0 HA THR A 31 4.517 -1.426 -12.913 1.00 64.14 H new ATOM 0 HB THR A 31 4.787 0.589 -10.658 1.00 33.22 H new ATOM 0 HG1 THR A 31 7.039 0.520 -11.374 1.00 15.13 H new ATOM 0 HG21 THR A 31 6.396 -0.985 -9.641 1.00 23.22 H new ATOM 0 HG22 THR A 31 4.758 -1.675 -9.729 1.00 23.22 H new ATOM 0 HG23 THR A 31 6.002 -2.187 -10.893 1.00 23.22 H new ATOM 498 N TYR A 32 1.945 -0.492 -11.087 1.00 70.21 N ATOM 499 CA TYR A 32 0.683 -0.979 -10.519 1.00 43.05 C ATOM 500 C TYR A 32 0.011 -1.967 -11.483 1.00 75.23 C ATOM 501 O TYR A 32 -0.399 -3.060 -11.090 1.00 71.23 O ATOM 502 CB TYR A 32 -0.246 0.208 -10.215 1.00 12.00 C ATOM 503 CG TYR A 32 -1.699 -0.168 -9.960 1.00 23.44 C ATOM 504 CD1 TYR A 32 -2.097 -0.746 -8.759 1.00 61.42 C ATOM 505 CD2 TYR A 32 -2.673 0.068 -10.926 1.00 63.25 C ATOM 506 CE1 TYR A 32 -3.420 -1.077 -8.530 1.00 72.42 C ATOM 507 CE2 TYR A 32 -3.996 -0.262 -10.703 1.00 51.33 C ATOM 508 CZ TYR A 32 -4.364 -0.834 -9.505 1.00 73.34 C ATOM 509 OH TYR A 32 -5.685 -1.156 -9.277 1.00 11.02 O ATOM 0 H TYR A 32 2.000 0.523 -11.171 1.00 70.21 H new ATOM 0 HA TYR A 32 0.890 -1.504 -9.587 1.00 43.05 H new ATOM 0 HB2 TYR A 32 0.137 0.736 -9.342 1.00 12.00 H new ATOM 0 HB3 TYR A 32 -0.207 0.905 -11.052 1.00 12.00 H new ATOM 0 HD1 TYR A 32 -1.361 -0.939 -7.993 1.00 61.42 H new ATOM 0 HD2 TYR A 32 -2.390 0.517 -11.866 1.00 63.25 H new ATOM 0 HE1 TYR A 32 -3.713 -1.524 -7.591 1.00 72.42 H new ATOM 0 HE2 TYR A 32 -4.738 -0.072 -11.464 1.00 51.33 H new ATOM 0 HH TYR A 32 -6.220 -0.920 -10.064 1.00 11.02 H new ATOM 519 N ASN A 33 -0.102 -1.575 -12.753 1.00 14.43 N ATOM 520 CA ASN A 33 -0.598 -2.480 -13.797 1.00 13.40 C ATOM 521 C ASN A 33 0.290 -3.736 -13.912 1.00 73.44 C ATOM 522 O ASN A 33 -0.218 -4.852 -13.979 1.00 3.35 O ATOM 523 CB ASN A 33 -0.676 -1.756 -15.149 1.00 33.32 C ATOM 524 CG ASN A 33 -1.667 -0.605 -15.131 1.00 23.51 C ATOM 525 OD1 ASN A 33 -2.646 -0.622 -14.394 1.00 61.34 O ATOM 526 ND2 ASN A 33 -1.434 0.394 -15.954 1.00 64.34 N ATOM 0 H ASN A 33 0.141 -0.642 -13.085 1.00 14.43 H new ATOM 0 HA ASN A 33 -1.601 -2.798 -13.514 1.00 13.40 H new ATOM 0 HB2 ASN A 33 0.312 -1.378 -15.414 1.00 33.32 H new ATOM 0 HB3 ASN A 33 -0.963 -2.467 -15.923 1.00 33.32 H new ATOM 0 HD21 ASN A 33 -2.077 1.185 -15.991 1.00 64.34 H new ATOM 0 HD22 ASN A 33 -0.610 0.378 -16.555 1.00 64.34 H new ATOM 533 N ASP A 34 1.611 -3.542 -13.903 1.00 31.33 N ATOM 534 CA ASP A 34 2.583 -4.644 -13.976 1.00 21.10 C ATOM 535 C ASP A 34 2.285 -5.722 -12.919 1.00 62.43 C ATOM 536 O ASP A 34 2.204 -6.912 -13.237 1.00 44.12 O ATOM 537 CB ASP A 34 3.995 -4.059 -13.776 1.00 62.05 C ATOM 538 CG ASP A 34 5.090 -5.109 -13.674 1.00 63.31 C ATOM 539 OD1 ASP A 34 5.383 -5.563 -12.550 1.00 2.12 O ATOM 540 OD2 ASP A 34 5.689 -5.452 -14.709 1.00 21.14 O ATOM 0 H ASP A 34 2.040 -2.619 -13.845 1.00 31.33 H new ATOM 0 HA ASP A 34 2.514 -5.126 -14.951 1.00 21.10 H new ATOM 0 HB2 ASP A 34 4.222 -3.392 -14.607 1.00 62.05 H new ATOM 0 HB3 ASP A 34 4.001 -3.453 -12.870 1.00 62.05 H new ATOM 545 N GLY A 35 2.075 -5.291 -11.677 1.00 2.35 N ATOM 546 CA GLY A 35 1.672 -6.209 -10.620 1.00 21.33 C ATOM 547 C GLY A 35 1.239 -5.475 -9.363 1.00 34.12 C ATOM 548 O GLY A 35 1.794 -4.433 -9.042 1.00 23.52 O ATOM 0 H GLY A 35 2.177 -4.320 -11.382 1.00 2.35 H new ATOM 0 HA2 GLY A 35 0.853 -6.834 -10.975 1.00 21.33 H new ATOM 0 HA3 GLY A 35 2.501 -6.876 -10.383 1.00 21.33 H new ATOM 552 N HIS A 36 0.248 -6.006 -8.654 1.00 5.52 N ATOM 553 CA HIS A 36 -0.265 -5.364 -7.435 1.00 62.34 C ATOM 554 C HIS A 36 -1.007 -6.358 -6.534 1.00 35.31 C ATOM 555 O HIS A 36 -1.454 -7.408 -6.991 1.00 42.13 O ATOM 556 CB HIS A 36 -1.187 -4.186 -7.793 1.00 42.42 C ATOM 557 CG HIS A 36 -2.333 -4.545 -8.695 1.00 21.33 C ATOM 558 ND1 HIS A 36 -2.212 -4.622 -10.066 1.00 43.11 N ATOM 559 CD2 HIS A 36 -3.632 -4.820 -8.422 1.00 0.34 C ATOM 560 CE1 HIS A 36 -3.379 -4.923 -10.597 1.00 15.41 C ATOM 561 NE2 HIS A 36 -4.258 -5.050 -9.625 1.00 2.12 N ATOM 0 H HIS A 36 -0.220 -6.879 -8.897 1.00 5.52 H new ATOM 0 HA HIS A 36 0.595 -4.990 -6.880 1.00 62.34 H new ATOM 0 HB2 HIS A 36 -1.585 -3.760 -6.872 1.00 42.42 H new ATOM 0 HB3 HIS A 36 -0.593 -3.409 -8.273 1.00 42.42 H new ATOM 0 HD1 HIS A 36 -1.350 -4.469 -10.589 1.00 43.11 H new ATOM 0 HD2 HIS A 36 -4.089 -4.852 -7.444 1.00 0.34 H new ATOM 0 HE1 HIS A 36 -3.581 -5.045 -11.651 1.00 15.41 H new ATOM 570 N ILE A 37 -1.139 -6.016 -5.253 1.00 53.31 N ATOM 571 CA ILE A 37 -1.864 -6.853 -4.289 1.00 71.34 C ATOM 572 C ILE A 37 -3.339 -7.032 -4.699 1.00 2.22 C ATOM 573 O ILE A 37 -3.989 -6.082 -5.140 1.00 33.52 O ATOM 574 CB ILE A 37 -1.787 -6.247 -2.860 1.00 3.01 C ATOM 575 CG1 ILE A 37 -0.341 -6.299 -2.341 1.00 24.01 C ATOM 576 CG2 ILE A 37 -2.730 -6.974 -1.900 1.00 65.53 C ATOM 577 CD1 ILE A 37 -0.145 -5.648 -0.987 1.00 74.20 C ATOM 0 H ILE A 37 -0.752 -5.161 -4.854 1.00 53.31 H new ATOM 0 HA ILE A 37 -1.384 -7.832 -4.285 1.00 71.34 H new ATOM 0 HB ILE A 37 -2.105 -5.206 -2.913 1.00 3.01 H new ATOM 0 HG12 ILE A 37 -0.026 -7.341 -2.280 1.00 24.01 H new ATOM 0 HG13 ILE A 37 0.311 -5.810 -3.065 1.00 24.01 H new ATOM 0 HG21 ILE A 37 -2.654 -6.528 -0.908 1.00 65.53 H new ATOM 0 HG22 ILE A 37 -3.755 -6.886 -2.260 1.00 65.53 H new ATOM 0 HG23 ILE A 37 -2.454 -8.027 -1.846 1.00 65.53 H new ATOM 0 HD11 ILE A 37 0.902 -5.728 -0.693 1.00 74.20 H new ATOM 0 HD12 ILE A 37 -0.427 -4.597 -1.045 1.00 74.20 H new ATOM 0 HD13 ILE A 37 -0.769 -6.151 -0.248 1.00 74.20 H new ATOM 589 N MET A 38 -3.857 -8.252 -4.561 1.00 24.43 N ATOM 590 CA MET A 38 -5.244 -8.551 -4.936 1.00 33.33 C ATOM 591 C MET A 38 -6.245 -7.783 -4.056 1.00 11.32 C ATOM 592 O MET A 38 -6.371 -8.049 -2.857 1.00 21.13 O ATOM 593 CB MET A 38 -5.505 -10.061 -4.849 1.00 4.12 C ATOM 594 CG MET A 38 -6.903 -10.477 -5.293 1.00 42.24 C ATOM 595 SD MET A 38 -7.132 -12.270 -5.288 1.00 34.53 S ATOM 596 CE MET A 38 -5.987 -12.768 -6.574 1.00 2.12 C ATOM 0 H MET A 38 -3.340 -9.050 -4.193 1.00 24.43 H new ATOM 0 HA MET A 38 -5.389 -8.224 -5.966 1.00 33.33 H new ATOM 0 HB2 MET A 38 -4.770 -10.582 -5.463 1.00 4.12 H new ATOM 0 HB3 MET A 38 -5.350 -10.387 -3.821 1.00 4.12 H new ATOM 0 HG2 MET A 38 -7.640 -10.019 -4.634 1.00 42.24 H new ATOM 0 HG3 MET A 38 -7.090 -10.094 -6.296 1.00 42.24 H new ATOM 0 HE1 MET A 38 -6.245 -13.768 -6.924 1.00 2.12 H new ATOM 0 HE2 MET A 38 -6.046 -12.066 -7.406 1.00 2.12 H new ATOM 0 HE3 MET A 38 -4.972 -12.773 -6.176 1.00 2.12 H new ATOM 606 N GLY A 39 -6.958 -6.837 -4.663 1.00 53.24 N ATOM 607 CA GLY A 39 -7.911 -6.010 -3.926 1.00 63.12 C ATOM 608 C GLY A 39 -7.359 -4.633 -3.558 1.00 13.41 C ATOM 609 O GLY A 39 -8.077 -3.798 -3.004 1.00 53.22 O ATOM 0 H GLY A 39 -6.895 -6.624 -5.659 1.00 53.24 H new ATOM 0 HA2 GLY A 39 -8.812 -5.884 -4.526 1.00 63.12 H new ATOM 0 HA3 GLY A 39 -8.205 -6.531 -3.015 1.00 63.12 H new ATOM 613 N ALA A 40 -6.087 -4.390 -3.869 1.00 31.50 N ATOM 614 CA ALA A 40 -5.439 -3.113 -3.548 1.00 30.01 C ATOM 615 C ALA A 40 -5.793 -2.015 -4.564 1.00 43.14 C ATOM 616 O ALA A 40 -6.100 -2.298 -5.724 1.00 0.55 O ATOM 617 CB ALA A 40 -3.927 -3.293 -3.480 1.00 1.35 C ATOM 0 H ALA A 40 -5.481 -5.060 -4.344 1.00 31.50 H new ATOM 0 HA ALA A 40 -5.812 -2.794 -2.575 1.00 30.01 H new ATOM 0 HB1 ALA A 40 -3.457 -2.339 -3.241 1.00 1.35 H new ATOM 0 HB2 ALA A 40 -3.682 -4.022 -2.707 1.00 1.35 H new ATOM 0 HB3 ALA A 40 -3.559 -3.648 -4.443 1.00 1.35 H new ATOM 623 N MET A 41 -5.742 -0.763 -4.118 1.00 5.45 N ATOM 624 CA MET A 41 -6.020 0.389 -4.983 1.00 45.40 C ATOM 625 C MET A 41 -4.737 0.898 -5.655 1.00 60.44 C ATOM 626 O MET A 41 -3.630 0.546 -5.247 1.00 42.11 O ATOM 627 CB MET A 41 -6.636 1.531 -4.163 1.00 20.30 C ATOM 628 CG MET A 41 -7.800 1.113 -3.278 1.00 61.13 C ATOM 629 SD MET A 41 -8.494 2.489 -2.333 1.00 61.42 S ATOM 630 CE MET A 41 -9.068 3.557 -3.652 1.00 54.21 C ATOM 0 H MET A 41 -5.509 -0.515 -3.156 1.00 5.45 H new ATOM 0 HA MET A 41 -6.720 0.063 -5.753 1.00 45.40 H new ATOM 0 HB2 MET A 41 -5.860 1.972 -3.537 1.00 20.30 H new ATOM 0 HB3 MET A 41 -6.976 2.310 -4.846 1.00 20.30 H new ATOM 0 HG2 MET A 41 -8.582 0.674 -3.898 1.00 61.13 H new ATOM 0 HG3 MET A 41 -7.466 0.337 -2.589 1.00 61.13 H new ATOM 0 HE1 MET A 41 -9.814 4.249 -3.261 1.00 54.21 H new ATOM 0 HE2 MET A 41 -8.227 4.120 -4.056 1.00 54.21 H new ATOM 0 HE3 MET A 41 -9.513 2.952 -4.442 1.00 54.21 H new ATOM 640 N ALA A 42 -4.893 1.726 -6.686 1.00 32.52 N ATOM 641 CA ALA A 42 -3.748 2.379 -7.324 1.00 64.11 C ATOM 642 C ALA A 42 -3.160 3.473 -6.422 1.00 1.12 C ATOM 643 O ALA A 42 -2.527 3.180 -5.410 1.00 52.04 O ATOM 644 CB ALA A 42 -4.140 2.928 -8.695 1.00 3.42 C ATOM 0 H ALA A 42 -5.796 1.961 -7.097 1.00 32.52 H new ATOM 0 HA ALA A 42 -2.967 1.633 -7.474 1.00 64.11 H new ATOM 0 HB1 ALA A 42 -3.277 3.410 -9.154 1.00 3.42 H new ATOM 0 HB2 ALA A 42 -4.480 2.110 -9.331 1.00 3.42 H new ATOM 0 HB3 ALA A 42 -4.943 3.656 -8.579 1.00 3.42 H new ATOM 650 N MET A 43 -3.400 4.725 -6.786 1.00 51.31 N ATOM 651 CA MET A 43 -2.908 5.880 -6.019 1.00 12.11 C ATOM 652 C MET A 43 -1.370 5.909 -5.939 1.00 74.03 C ATOM 653 O MET A 43 -0.776 5.616 -4.901 1.00 71.33 O ATOM 654 CB MET A 43 -3.542 5.910 -4.617 1.00 4.14 C ATOM 655 CG MET A 43 -4.944 6.492 -4.610 1.00 61.42 C ATOM 656 SD MET A 43 -5.865 6.122 -3.111 1.00 43.55 S ATOM 657 CE MET A 43 -7.417 6.925 -3.485 1.00 3.43 C ATOM 0 H MET A 43 -3.938 4.977 -7.616 1.00 51.31 H new ATOM 0 HA MET A 43 -3.212 6.781 -6.552 1.00 12.11 H new ATOM 0 HB2 MET A 43 -3.574 4.896 -4.217 1.00 4.14 H new ATOM 0 HB3 MET A 43 -2.909 6.496 -3.951 1.00 4.14 H new ATOM 0 HG2 MET A 43 -4.881 7.573 -4.731 1.00 61.42 H new ATOM 0 HG3 MET A 43 -5.493 6.107 -5.469 1.00 61.42 H new ATOM 0 HE1 MET A 43 -8.230 6.396 -2.987 1.00 3.43 H new ATOM 0 HE2 MET A 43 -7.387 7.957 -3.134 1.00 3.43 H new ATOM 0 HE3 MET A 43 -7.583 6.913 -4.562 1.00 3.43 H new ATOM 667 N PRO A 44 -0.713 6.294 -7.052 1.00 73.51 N ATOM 668 CA PRO A 44 0.755 6.325 -7.148 1.00 72.31 C ATOM 669 C PRO A 44 1.357 7.459 -6.300 1.00 55.32 C ATOM 670 O PRO A 44 0.737 8.507 -6.122 1.00 12.13 O ATOM 671 CB PRO A 44 1.020 6.531 -8.661 1.00 61.35 C ATOM 672 CG PRO A 44 -0.317 6.392 -9.327 1.00 35.25 C ATOM 673 CD PRO A 44 -1.341 6.758 -8.294 1.00 31.11 C ATOM 0 HA PRO A 44 1.220 5.418 -6.763 1.00 72.31 H new ATOM 0 HB2 PRO A 44 1.453 7.513 -8.853 1.00 61.35 H new ATOM 0 HB3 PRO A 44 1.725 5.791 -9.040 1.00 61.35 H new ATOM 0 HG2 PRO A 44 -0.389 7.047 -10.195 1.00 35.25 H new ATOM 0 HG3 PRO A 44 -0.470 5.373 -9.683 1.00 35.25 H new ATOM 0 HD2 PRO A 44 -1.535 7.831 -8.276 1.00 31.11 H new ATOM 0 HD3 PRO A 44 -2.296 6.265 -8.476 1.00 31.11 H new ATOM 681 N ILE A 45 2.574 7.244 -5.799 1.00 1.11 N ATOM 682 CA ILE A 45 3.202 8.126 -4.796 1.00 33.41 C ATOM 683 C ILE A 45 3.100 9.634 -5.128 1.00 14.03 C ATOM 684 O ILE A 45 3.031 10.469 -4.222 1.00 72.14 O ATOM 685 CB ILE A 45 4.685 7.731 -4.600 1.00 4.34 C ATOM 686 CG1 ILE A 45 5.307 8.469 -3.401 1.00 34.03 C ATOM 687 CG2 ILE A 45 5.484 7.990 -5.876 1.00 21.43 C ATOM 688 CD1 ILE A 45 6.673 7.947 -3.007 1.00 15.30 C ATOM 0 H ILE A 45 3.158 6.454 -6.073 1.00 1.11 H new ATOM 0 HA ILE A 45 2.640 7.980 -3.873 1.00 33.41 H new ATOM 0 HB ILE A 45 4.722 6.663 -4.384 1.00 4.34 H new ATOM 0 HG12 ILE A 45 5.388 9.529 -3.641 1.00 34.03 H new ATOM 0 HG13 ILE A 45 4.636 8.386 -2.546 1.00 34.03 H new ATOM 0 HG21 ILE A 45 6.524 7.706 -5.718 1.00 21.43 H new ATOM 0 HG22 ILE A 45 5.067 7.400 -6.692 1.00 21.43 H new ATOM 0 HG23 ILE A 45 5.432 9.049 -6.129 1.00 21.43 H new ATOM 0 HD11 ILE A 45 7.048 8.515 -2.156 1.00 15.30 H new ATOM 0 HD12 ILE A 45 6.596 6.894 -2.735 1.00 15.30 H new ATOM 0 HD13 ILE A 45 7.360 8.055 -3.846 1.00 15.30 H new ATOM 700 N GLU A 46 3.070 9.984 -6.413 1.00 44.03 N ATOM 701 CA GLU A 46 2.980 11.394 -6.817 1.00 64.11 C ATOM 702 C GLU A 46 1.538 11.935 -6.722 1.00 61.03 C ATOM 703 O GLU A 46 1.323 13.050 -6.242 1.00 3.21 O ATOM 704 CB GLU A 46 3.590 11.607 -8.219 1.00 42.12 C ATOM 705 CG GLU A 46 3.356 10.475 -9.222 1.00 24.43 C ATOM 706 CD GLU A 46 1.961 10.458 -9.821 1.00 2.51 C ATOM 707 OE1 GLU A 46 1.700 11.252 -10.748 1.00 25.14 O ATOM 708 OE2 GLU A 46 1.129 9.640 -9.384 1.00 52.33 O ATOM 0 H GLU A 46 3.106 9.322 -7.188 1.00 44.03 H new ATOM 0 HA GLU A 46 3.571 11.976 -6.110 1.00 64.11 H new ATOM 0 HB2 GLU A 46 3.183 12.528 -8.636 1.00 42.12 H new ATOM 0 HB3 GLU A 46 4.664 11.755 -8.109 1.00 42.12 H new ATOM 0 HG2 GLU A 46 4.085 10.561 -10.028 1.00 24.43 H new ATOM 0 HG3 GLU A 46 3.539 9.521 -8.727 1.00 24.43 H new ATOM 715 N ASP A 47 0.553 11.143 -7.135 1.00 42.20 N ATOM 716 CA ASP A 47 -0.863 11.531 -7.012 1.00 52.43 C ATOM 717 C ASP A 47 -1.444 11.177 -5.630 1.00 24.55 C ATOM 718 O ASP A 47 -2.508 11.669 -5.260 1.00 62.44 O ATOM 719 CB ASP A 47 -1.706 10.841 -8.095 1.00 43.53 C ATOM 720 CG ASP A 47 -1.770 11.603 -9.404 1.00 1.44 C ATOM 721 OD1 ASP A 47 -1.433 12.805 -9.427 1.00 53.54 O ATOM 722 OD2 ASP A 47 -2.204 11.006 -10.414 1.00 61.50 O ATOM 0 H ASP A 47 0.701 10.227 -7.559 1.00 42.20 H new ATOM 0 HA ASP A 47 -0.903 12.613 -7.137 1.00 52.43 H new ATOM 0 HB2 ASP A 47 -1.296 9.849 -8.283 1.00 43.53 H new ATOM 0 HB3 ASP A 47 -2.719 10.701 -7.718 1.00 43.53 H new ATOM 727 N LEU A 48 -0.734 10.331 -4.888 1.00 73.24 N ATOM 728 CA LEU A 48 -1.231 9.735 -3.632 1.00 21.24 C ATOM 729 C LEU A 48 -2.036 10.714 -2.749 1.00 73.43 C ATOM 730 O LEU A 48 -3.214 10.478 -2.476 1.00 42.41 O ATOM 731 CB LEU A 48 -0.048 9.172 -2.833 1.00 21.35 C ATOM 732 CG LEU A 48 -0.413 8.486 -1.510 1.00 34.04 C ATOM 733 CD1 LEU A 48 -1.274 7.247 -1.750 1.00 30.03 C ATOM 734 CD2 LEU A 48 0.845 8.127 -0.728 1.00 3.14 C ATOM 0 H LEU A 48 0.209 10.032 -5.135 1.00 73.24 H new ATOM 0 HA LEU A 48 -1.924 8.943 -3.917 1.00 21.24 H new ATOM 0 HB2 LEU A 48 0.483 8.455 -3.459 1.00 21.35 H new ATOM 0 HB3 LEU A 48 0.645 9.986 -2.621 1.00 21.35 H new ATOM 0 HG LEU A 48 -0.999 9.188 -0.917 1.00 34.04 H new ATOM 0 HD11 LEU A 48 -1.517 6.782 -0.795 1.00 30.03 H new ATOM 0 HD12 LEU A 48 -2.194 7.536 -2.257 1.00 30.03 H new ATOM 0 HD13 LEU A 48 -0.726 6.537 -2.370 1.00 30.03 H new ATOM 0 HD21 LEU A 48 0.566 7.641 0.207 1.00 3.14 H new ATOM 0 HD22 LEU A 48 1.460 7.449 -1.320 1.00 3.14 H new ATOM 0 HD23 LEU A 48 1.410 9.034 -0.512 1.00 3.14 H new ATOM 746 N VAL A 49 -1.406 11.802 -2.304 1.00 33.35 N ATOM 747 CA VAL A 49 -2.067 12.780 -1.418 1.00 53.43 C ATOM 748 C VAL A 49 -3.384 13.304 -2.019 1.00 41.10 C ATOM 749 O VAL A 49 -4.439 13.260 -1.379 1.00 2.13 O ATOM 750 CB VAL A 49 -1.130 13.980 -1.121 1.00 73.45 C ATOM 751 CG1 VAL A 49 -1.826 15.024 -0.246 1.00 14.15 C ATOM 752 CG2 VAL A 49 0.166 13.500 -0.471 1.00 2.44 C ATOM 0 H VAL A 49 -0.441 12.034 -2.538 1.00 33.35 H new ATOM 0 HA VAL A 49 -2.295 12.256 -0.490 1.00 53.43 H new ATOM 0 HB VAL A 49 -0.882 14.457 -2.069 1.00 73.45 H new ATOM 0 HG11 VAL A 49 -1.144 15.852 -0.055 1.00 14.15 H new ATOM 0 HG12 VAL A 49 -2.713 15.395 -0.759 1.00 14.15 H new ATOM 0 HG13 VAL A 49 -2.118 14.569 0.701 1.00 14.15 H new ATOM 0 HG21 VAL A 49 0.811 14.356 -0.270 1.00 2.44 H new ATOM 0 HG22 VAL A 49 -0.063 12.991 0.465 1.00 2.44 H new ATOM 0 HG23 VAL A 49 0.677 12.811 -1.143 1.00 2.44 H new ATOM 762 N ASP A 50 -3.303 13.792 -3.254 1.00 52.14 N ATOM 763 CA ASP A 50 -4.470 14.299 -3.986 1.00 24.34 C ATOM 764 C ASP A 50 -5.574 13.228 -4.098 1.00 44.03 C ATOM 765 O ASP A 50 -6.728 13.464 -3.739 1.00 5.31 O ATOM 766 CB ASP A 50 -4.024 14.755 -5.383 1.00 14.53 C ATOM 767 CG ASP A 50 -5.163 15.311 -6.216 1.00 15.42 C ATOM 768 OD1 ASP A 50 -5.492 16.504 -6.064 1.00 21.33 O ATOM 769 OD2 ASP A 50 -5.733 14.563 -7.034 1.00 74.02 O ATOM 0 H ASP A 50 -2.430 13.849 -3.779 1.00 52.14 H new ATOM 0 HA ASP A 50 -4.889 15.142 -3.437 1.00 24.34 H new ATOM 0 HB2 ASP A 50 -3.250 15.516 -5.281 1.00 14.53 H new ATOM 0 HB3 ASP A 50 -3.575 13.912 -5.908 1.00 14.53 H new ATOM 774 N ARG A 51 -5.197 12.050 -4.589 1.00 21.20 N ATOM 775 CA ARG A 51 -6.128 10.925 -4.756 1.00 33.30 C ATOM 776 C ARG A 51 -6.824 10.559 -3.438 1.00 43.44 C ATOM 777 O ARG A 51 -8.052 10.510 -3.353 1.00 35.12 O ATOM 778 CB ARG A 51 -5.367 9.692 -5.253 1.00 73.40 C ATOM 779 CG ARG A 51 -4.644 9.878 -6.577 1.00 5.22 C ATOM 780 CD ARG A 51 -5.581 9.764 -7.769 1.00 70.32 C ATOM 781 NE ARG A 51 -4.947 10.240 -8.998 1.00 0.32 N ATOM 782 CZ ARG A 51 -5.581 10.806 -9.984 1.00 45.30 C ATOM 783 NH1 ARG A 51 -6.860 10.993 -9.930 1.00 53.10 N ATOM 784 NH2 ARG A 51 -4.923 11.198 -11.025 1.00 43.34 N ATOM 0 H ARG A 51 -4.242 11.844 -4.883 1.00 21.20 H new ATOM 0 HA ARG A 51 -6.883 11.235 -5.479 1.00 33.30 H new ATOM 0 HB2 ARG A 51 -4.639 9.402 -4.495 1.00 73.40 H new ATOM 0 HB3 ARG A 51 -6.070 8.865 -5.352 1.00 73.40 H new ATOM 0 HG2 ARG A 51 -4.161 10.855 -6.590 1.00 5.22 H new ATOM 0 HG3 ARG A 51 -3.855 9.131 -6.665 1.00 5.22 H new ATOM 0 HD2 ARG A 51 -5.886 8.725 -7.895 1.00 70.32 H new ATOM 0 HD3 ARG A 51 -6.486 10.341 -7.578 1.00 70.32 H new ATOM 0 HE ARG A 51 -3.938 10.120 -9.089 1.00 0.32 H new ATOM 0 HH11 ARG A 51 -7.385 10.696 -9.107 1.00 53.10 H new ATOM 0 HH12 ARG A 51 -7.344 11.438 -10.710 1.00 53.10 H new ATOM 0 HH21 ARG A 51 -3.913 11.063 -11.071 1.00 43.34 H new ATOM 0 HH22 ARG A 51 -5.414 11.642 -11.801 1.00 43.34 H new ATOM 798 N ALA A 52 -6.017 10.291 -2.417 1.00 74.00 N ATOM 799 CA ALA A 52 -6.514 9.845 -1.118 1.00 4.31 C ATOM 800 C ALA A 52 -7.459 10.876 -0.483 1.00 21.10 C ATOM 801 O ALA A 52 -8.569 10.543 -0.083 1.00 10.14 O ATOM 802 CB ALA A 52 -5.340 9.541 -0.193 1.00 23.45 C ATOM 0 H ALA A 52 -5.002 10.376 -2.465 1.00 74.00 H new ATOM 0 HA ALA A 52 -7.094 8.935 -1.271 1.00 4.31 H new ATOM 0 HB1 ALA A 52 -5.716 9.209 0.775 1.00 23.45 H new ATOM 0 HB2 ALA A 52 -4.724 8.756 -0.632 1.00 23.45 H new ATOM 0 HB3 ALA A 52 -4.740 10.441 -0.059 1.00 23.45 H new ATOM 808 N SER A 53 -7.030 12.132 -0.412 1.00 13.03 N ATOM 809 CA SER A 53 -7.875 13.193 0.155 1.00 15.03 C ATOM 810 C SER A 53 -9.149 13.402 -0.686 1.00 22.21 C ATOM 811 O SER A 53 -10.156 13.918 -0.197 1.00 73.33 O ATOM 812 CB SER A 53 -7.095 14.511 0.254 1.00 22.11 C ATOM 813 OG SER A 53 -7.860 15.517 0.902 1.00 23.54 O ATOM 0 H SER A 53 -6.114 12.444 -0.734 1.00 13.03 H new ATOM 0 HA SER A 53 -8.171 12.878 1.156 1.00 15.03 H new ATOM 0 HB2 SER A 53 -6.168 14.347 0.803 1.00 22.11 H new ATOM 0 HB3 SER A 53 -6.819 14.848 -0.745 1.00 22.11 H new ATOM 0 HG SER A 53 -7.337 16.344 0.952 1.00 23.54 H new ATOM 819 N SER A 54 -9.095 12.984 -1.953 1.00 51.23 N ATOM 820 CA SER A 54 -10.234 13.118 -2.879 1.00 2.34 C ATOM 821 C SER A 54 -11.196 11.914 -2.815 1.00 71.03 C ATOM 822 O SER A 54 -12.372 12.040 -3.162 1.00 73.31 O ATOM 823 CB SER A 54 -9.722 13.287 -4.321 1.00 74.33 C ATOM 824 OG SER A 54 -10.782 13.264 -5.268 1.00 61.35 O ATOM 0 H SER A 54 -8.272 12.547 -2.368 1.00 51.23 H new ATOM 0 HA SER A 54 -10.793 14.001 -2.569 1.00 2.34 H new ATOM 0 HB2 SER A 54 -9.181 14.229 -4.406 1.00 74.33 H new ATOM 0 HB3 SER A 54 -9.014 12.491 -4.550 1.00 74.33 H new ATOM 0 HG SER A 54 -10.417 13.376 -6.171 1.00 61.35 H new ATOM 830 N SER A 55 -10.711 10.748 -2.377 1.00 31.35 N ATOM 831 CA SER A 55 -11.534 9.521 -2.418 1.00 22.44 C ATOM 832 C SER A 55 -11.333 8.592 -1.204 1.00 63.05 C ATOM 833 O SER A 55 -11.745 7.432 -1.239 1.00 32.33 O ATOM 834 CB SER A 55 -11.236 8.739 -3.709 1.00 43.23 C ATOM 835 OG SER A 55 -11.504 9.522 -4.866 1.00 55.50 O ATOM 0 H SER A 55 -9.773 10.621 -1.996 1.00 31.35 H new ATOM 0 HA SER A 55 -12.572 9.852 -2.390 1.00 22.44 H new ATOM 0 HB2 SER A 55 -10.192 8.427 -3.714 1.00 43.23 H new ATOM 0 HB3 SER A 55 -11.840 7.832 -3.734 1.00 43.23 H new ATOM 0 HG SER A 55 -11.303 8.998 -5.669 1.00 55.50 H new ATOM 841 N LEU A 56 -10.727 9.088 -0.129 1.00 50.22 N ATOM 842 CA LEU A 56 -10.485 8.260 1.068 1.00 53.52 C ATOM 843 C LEU A 56 -10.721 9.030 2.374 1.00 73.34 C ATOM 844 O LEU A 56 -10.667 10.262 2.413 1.00 34.53 O ATOM 845 CB LEU A 56 -9.055 7.695 1.059 1.00 62.40 C ATOM 846 CG LEU A 56 -8.817 6.506 0.115 1.00 65.21 C ATOM 847 CD1 LEU A 56 -7.335 6.156 0.051 1.00 44.02 C ATOM 848 CD2 LEU A 56 -9.632 5.295 0.561 1.00 62.42 C ATOM 0 H LEU A 56 -10.394 10.049 -0.053 1.00 50.22 H new ATOM 0 HA LEU A 56 -11.205 7.442 1.028 1.00 53.52 H new ATOM 0 HB2 LEU A 56 -8.369 8.496 0.785 1.00 62.40 H new ATOM 0 HB3 LEU A 56 -8.798 7.388 2.073 1.00 62.40 H new ATOM 0 HG LEU A 56 -9.145 6.794 -0.884 1.00 65.21 H new ATOM 0 HD11 LEU A 56 -7.189 5.312 -0.623 1.00 44.02 H new ATOM 0 HD12 LEU A 56 -6.774 7.015 -0.317 1.00 44.02 H new ATOM 0 HD13 LEU A 56 -6.980 5.891 1.047 1.00 44.02 H new ATOM 0 HD21 LEU A 56 -9.450 4.463 -0.120 1.00 62.42 H new ATOM 0 HD22 LEU A 56 -9.336 5.009 1.570 1.00 62.42 H new ATOM 0 HD23 LEU A 56 -10.693 5.547 0.551 1.00 62.42 H new ATOM 860 N GLU A 57 -10.973 8.279 3.443 1.00 72.34 N ATOM 861 CA GLU A 57 -11.154 8.845 4.779 1.00 55.42 C ATOM 862 C GLU A 57 -9.825 8.847 5.549 1.00 64.05 C ATOM 863 O GLU A 57 -9.097 7.857 5.543 1.00 73.30 O ATOM 864 CB GLU A 57 -12.202 8.025 5.541 1.00 13.53 C ATOM 865 CG GLU A 57 -12.428 8.475 6.975 1.00 13.23 C ATOM 866 CD GLU A 57 -13.433 7.600 7.708 1.00 21.23 C ATOM 867 OE1 GLU A 57 -14.645 7.898 7.644 1.00 2.20 O ATOM 868 OE2 GLU A 57 -13.018 6.611 8.341 1.00 50.01 O ATOM 0 H GLU A 57 -11.058 7.263 3.409 1.00 72.34 H new ATOM 0 HA GLU A 57 -11.496 9.876 4.684 1.00 55.42 H new ATOM 0 HB2 GLU A 57 -13.148 8.077 5.003 1.00 13.53 H new ATOM 0 HB3 GLU A 57 -11.895 6.979 5.545 1.00 13.53 H new ATOM 0 HG2 GLU A 57 -11.479 8.460 7.511 1.00 13.23 H new ATOM 0 HG3 GLU A 57 -12.779 9.507 6.978 1.00 13.23 H new ATOM 875 N LYS A 58 -9.519 9.951 6.222 1.00 22.14 N ATOM 876 CA LYS A 58 -8.265 10.069 6.971 1.00 11.10 C ATOM 877 C LYS A 58 -8.267 9.168 8.221 1.00 51.44 C ATOM 878 O LYS A 58 -7.214 8.841 8.777 1.00 61.50 O ATOM 879 CB LYS A 58 -8.011 11.540 7.335 1.00 0.33 C ATOM 880 CG LYS A 58 -7.931 12.446 6.106 1.00 43.02 C ATOM 881 CD LYS A 58 -7.552 13.883 6.459 1.00 44.42 C ATOM 882 CE LYS A 58 -7.494 14.766 5.215 1.00 41.20 C ATOM 883 NZ LYS A 58 -6.966 16.123 5.511 1.00 11.41 N ATOM 0 H LYS A 58 -10.117 10.776 6.267 1.00 22.14 H new ATOM 0 HA LYS A 58 -7.448 9.724 6.337 1.00 11.10 H new ATOM 0 HB2 LYS A 58 -8.809 11.891 7.989 1.00 0.33 H new ATOM 0 HB3 LYS A 58 -7.081 11.615 7.898 1.00 0.33 H new ATOM 0 HG2 LYS A 58 -7.198 12.042 5.408 1.00 43.02 H new ATOM 0 HG3 LYS A 58 -8.893 12.443 5.594 1.00 43.02 H new ATOM 0 HD2 LYS A 58 -8.278 14.290 7.162 1.00 44.42 H new ATOM 0 HD3 LYS A 58 -6.584 13.893 6.959 1.00 44.42 H new ATOM 0 HE2 LYS A 58 -6.865 14.290 4.463 1.00 41.20 H new ATOM 0 HE3 LYS A 58 -8.493 14.853 4.787 1.00 41.20 H new ATOM 0 HZ1 LYS A 58 -7.251 16.779 4.756 1.00 11.41 H new ATOM 0 HZ2 LYS A 58 -7.349 16.454 6.419 1.00 11.41 H new ATOM 0 HZ3 LYS A 58 -5.928 16.087 5.566 1.00 11.41 H new ATOM 897 N SER A 59 -9.458 8.748 8.642 1.00 3.13 N ATOM 898 CA SER A 59 -9.598 7.810 9.766 1.00 74.25 C ATOM 899 C SER A 59 -9.490 6.356 9.286 1.00 3.42 C ATOM 900 O SER A 59 -9.289 5.442 10.086 1.00 51.24 O ATOM 901 CB SER A 59 -10.943 8.014 10.477 1.00 60.42 C ATOM 902 OG SER A 59 -11.078 9.342 10.968 1.00 1.02 O ATOM 0 H SER A 59 -10.342 9.039 8.226 1.00 3.13 H new ATOM 0 HA SER A 59 -8.787 8.011 10.466 1.00 74.25 H new ATOM 0 HB2 SER A 59 -11.757 7.796 9.786 1.00 60.42 H new ATOM 0 HB3 SER A 59 -11.029 7.309 11.304 1.00 60.42 H new ATOM 0 HG SER A 59 -10.278 9.585 11.479 1.00 1.02 H new ATOM 908 N ARG A 60 -9.609 6.154 7.973 1.00 1.54 N ATOM 909 CA ARG A 60 -9.566 4.812 7.379 1.00 60.53 C ATOM 910 C ARG A 60 -8.190 4.157 7.554 1.00 63.03 C ATOM 911 O ARG A 60 -7.169 4.755 7.231 1.00 11.20 O ATOM 912 CB ARG A 60 -9.913 4.891 5.883 1.00 32.11 C ATOM 913 CG ARG A 60 -9.860 3.550 5.153 1.00 72.23 C ATOM 914 CD ARG A 60 -10.840 2.546 5.747 1.00 54.42 C ATOM 915 NE ARG A 60 -12.220 3.014 5.657 1.00 42.32 N ATOM 916 CZ ARG A 60 -13.077 2.986 6.642 1.00 21.41 C ATOM 917 NH1 ARG A 60 -12.725 2.557 7.815 1.00 62.12 N ATOM 918 NH2 ARG A 60 -14.287 3.395 6.449 1.00 42.03 N ATOM 0 H ARG A 60 -9.737 6.906 7.295 1.00 1.54 H new ATOM 0 HA ARG A 60 -10.300 4.196 7.898 1.00 60.53 H new ATOM 0 HB2 ARG A 60 -10.913 5.310 5.776 1.00 32.11 H new ATOM 0 HB3 ARG A 60 -9.224 5.583 5.398 1.00 32.11 H new ATOM 0 HG2 ARG A 60 -10.088 3.701 4.098 1.00 72.23 H new ATOM 0 HG3 ARG A 60 -8.849 3.147 5.206 1.00 72.23 H new ATOM 0 HD2 ARG A 60 -10.745 1.594 5.225 1.00 54.42 H new ATOM 0 HD3 ARG A 60 -10.586 2.364 6.791 1.00 54.42 H new ATOM 0 HE ARG A 60 -12.537 3.389 4.763 1.00 42.32 H new ATOM 0 HH11 ARG A 60 -11.770 2.237 7.976 1.00 62.12 H new ATOM 0 HH12 ARG A 60 -13.403 2.540 8.577 1.00 62.12 H new ATOM 0 HH21 ARG A 60 -14.569 3.738 5.531 1.00 42.03 H new ATOM 0 HH22 ARG A 60 -14.960 3.375 7.215 1.00 42.03 H new ATOM 932 N ASP A 61 -8.176 2.929 8.072 1.00 45.44 N ATOM 933 CA ASP A 61 -6.935 2.165 8.222 1.00 53.42 C ATOM 934 C ASP A 61 -6.349 1.781 6.853 1.00 51.22 C ATOM 935 O ASP A 61 -6.752 0.789 6.235 1.00 24.24 O ATOM 936 CB ASP A 61 -7.191 0.925 9.077 1.00 61.22 C ATOM 937 CG ASP A 61 -7.693 1.293 10.463 1.00 34.43 C ATOM 938 OD1 ASP A 61 -8.894 1.615 10.600 1.00 20.15 O ATOM 939 OD2 ASP A 61 -6.886 1.284 11.418 1.00 41.43 O ATOM 0 H ASP A 61 -9.011 2.440 8.396 1.00 45.44 H new ATOM 0 HA ASP A 61 -6.199 2.792 8.725 1.00 53.42 H new ATOM 0 HB2 ASP A 61 -7.923 0.286 8.582 1.00 61.22 H new ATOM 0 HB3 ASP A 61 -6.271 0.347 9.165 1.00 61.22 H new ATOM 944 N ILE A 62 -5.414 2.596 6.380 1.00 31.04 N ATOM 945 CA ILE A 62 -4.797 2.413 5.066 1.00 13.22 C ATOM 946 C ILE A 62 -3.390 1.796 5.167 1.00 24.21 C ATOM 947 O ILE A 62 -2.537 2.275 5.915 1.00 44.34 O ATOM 948 CB ILE A 62 -4.705 3.768 4.319 1.00 23.41 C ATOM 949 CG1 ILE A 62 -6.108 4.376 4.135 1.00 62.14 C ATOM 950 CG2 ILE A 62 -4.007 3.599 2.968 1.00 0.30 C ATOM 951 CD1 ILE A 62 -6.104 5.772 3.549 1.00 53.23 C ATOM 0 H ILE A 62 -5.060 3.403 6.894 1.00 31.04 H new ATOM 0 HA ILE A 62 -5.433 1.723 4.511 1.00 13.22 H new ATOM 0 HB ILE A 62 -4.109 4.452 4.923 1.00 23.41 H new ATOM 0 HG12 ILE A 62 -6.693 3.723 3.487 1.00 62.14 H new ATOM 0 HG13 ILE A 62 -6.611 4.401 5.101 1.00 62.14 H new ATOM 0 HG21 ILE A 62 -3.954 4.563 2.463 1.00 0.30 H new ATOM 0 HG22 ILE A 62 -2.999 3.216 3.125 1.00 0.30 H new ATOM 0 HG23 ILE A 62 -4.570 2.897 2.353 1.00 0.30 H new ATOM 0 HD11 ILE A 62 -7.129 6.129 3.451 1.00 53.23 H new ATOM 0 HD12 ILE A 62 -5.548 6.441 4.206 1.00 53.23 H new ATOM 0 HD13 ILE A 62 -5.631 5.753 2.567 1.00 53.23 H new ATOM 963 N TYR A 63 -3.160 0.728 4.410 1.00 44.43 N ATOM 964 CA TYR A 63 -1.841 0.099 4.317 1.00 55.52 C ATOM 965 C TYR A 63 -1.188 0.411 2.963 1.00 3.31 C ATOM 966 O TYR A 63 -1.711 0.056 1.908 1.00 32.21 O ATOM 967 CB TYR A 63 -1.956 -1.419 4.513 1.00 11.34 C ATOM 968 CG TYR A 63 -2.444 -1.811 5.897 1.00 73.04 C ATOM 969 CD1 TYR A 63 -3.802 -1.934 6.170 1.00 2.31 C ATOM 970 CD2 TYR A 63 -1.544 -2.043 6.932 1.00 0.21 C ATOM 971 CE1 TYR A 63 -4.246 -2.280 7.431 1.00 74.04 C ATOM 972 CE2 TYR A 63 -1.983 -2.388 8.195 1.00 52.21 C ATOM 973 CZ TYR A 63 -3.334 -2.503 8.438 1.00 32.04 C ATOM 974 OH TYR A 63 -3.774 -2.846 9.696 1.00 53.12 O ATOM 0 H TYR A 63 -3.877 0.273 3.845 1.00 44.43 H new ATOM 0 HA TYR A 63 -1.211 0.507 5.108 1.00 55.52 H new ATOM 0 HB2 TYR A 63 -2.639 -1.824 3.766 1.00 11.34 H new ATOM 0 HB3 TYR A 63 -0.982 -1.876 4.336 1.00 11.34 H new ATOM 0 HD1 TYR A 63 -4.521 -1.756 5.384 1.00 2.31 H new ATOM 0 HD2 TYR A 63 -0.484 -1.952 6.745 1.00 0.21 H new ATOM 0 HE1 TYR A 63 -5.304 -2.375 7.626 1.00 74.04 H new ATOM 0 HE2 TYR A 63 -1.271 -2.567 8.988 1.00 52.21 H new ATOM 0 HH TYR A 63 -4.618 -3.338 9.624 1.00 53.12 H new ATOM 984 N VAL A 64 -0.045 1.079 3.003 1.00 23.42 N ATOM 985 CA VAL A 64 0.648 1.520 1.791 1.00 53.13 C ATOM 986 C VAL A 64 1.909 0.687 1.524 1.00 55.04 C ATOM 987 O VAL A 64 2.734 0.494 2.417 1.00 34.20 O ATOM 988 CB VAL A 64 1.036 3.013 1.907 1.00 72.11 C ATOM 989 CG1 VAL A 64 1.881 3.457 0.719 1.00 11.45 C ATOM 990 CG2 VAL A 64 -0.211 3.884 2.045 1.00 14.43 C ATOM 0 H VAL A 64 0.430 1.332 3.869 1.00 23.42 H new ATOM 0 HA VAL A 64 -0.039 1.381 0.956 1.00 53.13 H new ATOM 0 HB VAL A 64 1.640 3.135 2.806 1.00 72.11 H new ATOM 0 HG11 VAL A 64 2.138 4.511 0.829 1.00 11.45 H new ATOM 0 HG12 VAL A 64 2.794 2.863 0.680 1.00 11.45 H new ATOM 0 HG13 VAL A 64 1.316 3.316 -0.202 1.00 11.45 H new ATOM 0 HG21 VAL A 64 0.083 4.930 2.125 1.00 14.43 H new ATOM 0 HG22 VAL A 64 -0.846 3.752 1.169 1.00 14.43 H new ATOM 0 HG23 VAL A 64 -0.761 3.592 2.939 1.00 14.43 H new ATOM 1000 N TYR A 65 2.068 0.206 0.291 1.00 0.23 N ATOM 1001 CA TYR A 65 3.262 -0.558 -0.074 1.00 41.41 C ATOM 1002 C TYR A 65 3.963 0.033 -1.306 1.00 62.14 C ATOM 1003 O TYR A 65 3.333 0.348 -2.323 1.00 23.43 O ATOM 1004 CB TYR A 65 2.922 -2.045 -0.286 1.00 44.24 C ATOM 1005 CG TYR A 65 2.105 -2.368 -1.528 1.00 72.22 C ATOM 1006 CD1 TYR A 65 0.808 -1.898 -1.686 1.00 61.31 C ATOM 1007 CD2 TYR A 65 2.636 -3.166 -2.536 1.00 52.40 C ATOM 1008 CE1 TYR A 65 0.067 -2.210 -2.812 1.00 31.13 C ATOM 1009 CE2 TYR A 65 1.903 -3.484 -3.661 1.00 12.24 C ATOM 1010 CZ TYR A 65 0.618 -3.006 -3.794 1.00 1.44 C ATOM 1011 OH TYR A 65 -0.116 -3.327 -4.914 1.00 71.33 O ATOM 0 H TYR A 65 1.394 0.329 -0.465 1.00 0.23 H new ATOM 0 HA TYR A 65 3.962 -0.487 0.759 1.00 41.41 H new ATOM 0 HB2 TYR A 65 3.854 -2.608 -0.331 1.00 44.24 H new ATOM 0 HB3 TYR A 65 2.376 -2.401 0.588 1.00 44.24 H new ATOM 0 HD1 TYR A 65 0.370 -1.279 -0.917 1.00 61.31 H new ATOM 0 HD2 TYR A 65 3.643 -3.544 -2.436 1.00 52.40 H new ATOM 0 HE1 TYR A 65 -0.939 -1.832 -2.921 1.00 31.13 H new ATOM 0 HE2 TYR A 65 2.334 -4.104 -4.433 1.00 12.24 H new ATOM 0 HH TYR A 65 0.148 -2.744 -5.656 1.00 71.33 H new ATOM 1021 N GLY A 66 5.275 0.210 -1.181 1.00 54.21 N ATOM 1022 CA GLY A 66 6.089 0.721 -2.275 1.00 31.55 C ATOM 1023 C GLY A 66 7.078 -0.312 -2.808 1.00 11.45 C ATOM 1024 O GLY A 66 6.906 -1.516 -2.607 1.00 60.04 O ATOM 0 H GLY A 66 5.797 0.006 -0.329 1.00 54.21 H new ATOM 0 HA2 GLY A 66 5.437 1.046 -3.086 1.00 31.55 H new ATOM 0 HA3 GLY A 66 6.637 1.600 -1.935 1.00 31.55 H new ATOM 1028 N ALA A 67 8.111 0.160 -3.498 1.00 52.43 N ATOM 1029 CA ALA A 67 9.174 -0.713 -4.011 1.00 30.32 C ATOM 1030 C ALA A 67 10.357 -0.808 -3.031 1.00 1.31 C ATOM 1031 O ALA A 67 11.263 -1.622 -3.213 1.00 31.24 O ATOM 1032 CB ALA A 67 9.649 -0.210 -5.370 1.00 25.41 C ATOM 0 H ALA A 67 8.240 1.148 -3.719 1.00 52.43 H new ATOM 0 HA ALA A 67 8.760 -1.715 -4.121 1.00 30.32 H new ATOM 0 HB1 ALA A 67 10.438 -0.863 -5.744 1.00 25.41 H new ATOM 0 HB2 ALA A 67 8.814 -0.211 -6.071 1.00 25.41 H new ATOM 0 HB3 ALA A 67 10.035 0.804 -5.268 1.00 25.41 H new ATOM 1038 N GLY A 68 10.336 0.031 -1.994 1.00 30.32 N ATOM 1039 CA GLY A 68 11.411 0.047 -1.006 1.00 20.03 C ATOM 1040 C GLY A 68 11.079 0.892 0.222 1.00 61.15 C ATOM 1041 O GLY A 68 10.111 1.660 0.212 1.00 73.12 O ATOM 0 H GLY A 68 9.590 0.704 -1.819 1.00 30.32 H new ATOM 0 HA2 GLY A 68 11.623 -0.975 -0.691 1.00 20.03 H new ATOM 0 HA3 GLY A 68 12.319 0.432 -1.471 1.00 20.03 H new ATOM 1045 N ASP A 69 11.898 0.761 1.270 1.00 43.41 N ATOM 1046 CA ASP A 69 11.694 1.483 2.536 1.00 64.44 C ATOM 1047 C ASP A 69 11.568 3.003 2.337 1.00 54.33 C ATOM 1048 O ASP A 69 10.749 3.655 2.987 1.00 65.20 O ATOM 1049 CB ASP A 69 12.844 1.183 3.501 1.00 4.25 C ATOM 1050 CG ASP A 69 12.821 -0.246 4.017 1.00 42.42 C ATOM 1051 OD1 ASP A 69 12.985 -1.184 3.211 1.00 53.25 O ATOM 1052 OD2 ASP A 69 12.643 -0.440 5.237 1.00 73.30 O ATOM 0 H ASP A 69 12.718 0.155 1.268 1.00 43.41 H new ATOM 0 HA ASP A 69 10.751 1.131 2.955 1.00 64.44 H new ATOM 0 HB2 ASP A 69 13.793 1.367 2.997 1.00 4.25 H new ATOM 0 HB3 ASP A 69 12.793 1.870 4.345 1.00 4.25 H new ATOM 1057 N GLU A 70 12.383 3.570 1.445 1.00 44.13 N ATOM 1058 CA GLU A 70 12.282 4.999 1.125 1.00 52.24 C ATOM 1059 C GLU A 70 10.876 5.343 0.640 1.00 4.15 C ATOM 1060 O GLU A 70 10.229 6.235 1.171 1.00 61.44 O ATOM 1061 CB GLU A 70 13.291 5.397 0.040 1.00 14.04 C ATOM 1062 CG GLU A 70 13.116 6.833 -0.476 1.00 71.24 C ATOM 1063 CD GLU A 70 13.960 7.112 -1.708 1.00 41.31 C ATOM 1064 OE1 GLU A 70 13.491 6.822 -2.830 1.00 50.24 O ATOM 1065 OE2 GLU A 70 15.094 7.611 -1.562 1.00 21.21 O ATOM 0 H GLU A 70 13.112 3.071 0.936 1.00 44.13 H new ATOM 0 HA GLU A 70 12.502 5.552 2.038 1.00 52.24 H new ATOM 0 HB2 GLU A 70 14.300 5.284 0.437 1.00 14.04 H new ATOM 0 HB3 GLU A 70 13.199 4.706 -0.798 1.00 14.04 H new ATOM 0 HG2 GLU A 70 12.066 7.006 -0.711 1.00 71.24 H new ATOM 0 HG3 GLU A 70 13.386 7.535 0.313 1.00 71.24 H new ATOM 1072 N GLN A 71 10.405 4.599 -0.353 1.00 22.32 N ATOM 1073 CA GLN A 71 9.117 4.879 -0.983 1.00 12.01 C ATOM 1074 C GLN A 71 7.940 4.687 -0.009 1.00 4.13 C ATOM 1075 O GLN A 71 6.976 5.452 -0.045 1.00 52.33 O ATOM 1076 CB GLN A 71 8.944 4.001 -2.226 1.00 41.30 C ATOM 1077 CG GLN A 71 7.710 4.344 -3.051 1.00 4.33 C ATOM 1078 CD GLN A 71 7.672 3.601 -4.368 1.00 64.45 C ATOM 1079 OE1 GLN A 71 7.150 2.500 -4.451 1.00 35.33 O ATOM 1080 NE2 GLN A 71 8.231 4.185 -5.401 1.00 21.01 N ATOM 0 H GLN A 71 10.896 3.794 -0.742 1.00 22.32 H new ATOM 0 HA GLN A 71 9.112 5.928 -1.280 1.00 12.01 H new ATOM 0 HB2 GLN A 71 9.829 4.098 -2.855 1.00 41.30 H new ATOM 0 HB3 GLN A 71 8.885 2.957 -1.917 1.00 41.30 H new ATOM 0 HG2 GLN A 71 6.815 4.106 -2.477 1.00 4.33 H new ATOM 0 HG3 GLN A 71 7.690 5.417 -3.242 1.00 4.33 H new ATOM 0 HE21 GLN A 71 8.658 5.105 -5.297 1.00 21.01 H new ATOM 0 HE22 GLN A 71 8.238 3.719 -6.308 1.00 21.01 H new ATOM 1089 N THR A 72 8.018 3.676 0.864 1.00 12.42 N ATOM 1090 CA THR A 72 6.971 3.470 1.879 1.00 2.42 C ATOM 1091 C THR A 72 6.946 4.624 2.878 1.00 11.21 C ATOM 1092 O THR A 72 5.924 5.285 3.055 1.00 50.04 O ATOM 1093 CB THR A 72 7.165 2.163 2.685 1.00 52.43 C ATOM 1094 OG1 THR A 72 8.488 2.110 3.237 1.00 14.30 O ATOM 1095 CG2 THR A 72 6.918 0.935 1.832 1.00 15.21 C ATOM 0 H THR A 72 8.779 2.997 0.892 1.00 12.42 H new ATOM 0 HA THR A 72 6.035 3.411 1.324 1.00 2.42 H new ATOM 0 HB THR A 72 6.433 2.166 3.492 1.00 52.43 H new ATOM 0 HG1 THR A 72 8.597 1.279 3.746 1.00 14.30 H new ATOM 0 HG21 THR A 72 7.064 0.038 2.434 1.00 15.21 H new ATOM 0 HG22 THR A 72 5.896 0.955 1.453 1.00 15.21 H new ATOM 0 HG23 THR A 72 7.616 0.927 0.995 1.00 15.21 H new ATOM 1103 N SER A 73 8.092 4.872 3.505 1.00 54.14 N ATOM 1104 CA SER A 73 8.229 5.954 4.486 1.00 40.12 C ATOM 1105 C SER A 73 7.844 7.307 3.878 1.00 51.33 C ATOM 1106 O SER A 73 7.125 8.092 4.488 1.00 71.11 O ATOM 1107 CB SER A 73 9.671 6.010 5.012 1.00 13.05 C ATOM 1108 OG SER A 73 9.872 7.108 5.893 1.00 12.14 O ATOM 0 H SER A 73 8.947 4.337 3.353 1.00 54.14 H new ATOM 0 HA SER A 73 7.550 5.746 5.313 1.00 40.12 H new ATOM 0 HB2 SER A 73 9.904 5.080 5.531 1.00 13.05 H new ATOM 0 HB3 SER A 73 10.361 6.088 4.172 1.00 13.05 H new ATOM 0 HG SER A 73 10.800 7.109 6.208 1.00 12.14 H new ATOM 1114 N GLN A 74 8.317 7.551 2.658 1.00 45.12 N ATOM 1115 CA GLN A 74 8.070 8.804 1.941 1.00 63.44 C ATOM 1116 C GLN A 74 6.576 8.989 1.618 1.00 54.32 C ATOM 1117 O GLN A 74 5.979 10.005 1.963 1.00 70.13 O ATOM 1118 CB GLN A 74 8.906 8.807 0.647 1.00 32.21 C ATOM 1119 CG GLN A 74 9.603 10.123 0.347 1.00 30.22 C ATOM 1120 CD GLN A 74 8.650 11.214 -0.085 1.00 35.55 C ATOM 1121 OE1 GLN A 74 8.143 11.982 0.728 1.00 72.32 O ATOM 1122 NE2 GLN A 74 8.401 11.284 -1.372 1.00 62.13 N ATOM 0 H GLN A 74 8.885 6.884 2.135 1.00 45.12 H new ATOM 0 HA GLN A 74 8.365 9.638 2.578 1.00 63.44 H new ATOM 0 HB2 GLN A 74 9.657 8.020 0.714 1.00 32.21 H new ATOM 0 HB3 GLN A 74 8.255 8.556 -0.191 1.00 32.21 H new ATOM 0 HG2 GLN A 74 10.144 10.452 1.235 1.00 30.22 H new ATOM 0 HG3 GLN A 74 10.344 9.965 -0.437 1.00 30.22 H new ATOM 0 HE21 GLN A 74 8.844 10.626 -2.014 1.00 62.13 H new ATOM 0 HE22 GLN A 74 7.765 11.996 -1.730 1.00 62.13 H new ATOM 1131 N ALA A 75 5.976 7.999 0.965 1.00 23.22 N ATOM 1132 CA ALA A 75 4.559 8.069 0.587 1.00 4.52 C ATOM 1133 C ALA A 75 3.646 8.153 1.814 1.00 53.15 C ATOM 1134 O ALA A 75 2.771 9.019 1.895 1.00 35.12 O ATOM 1135 CB ALA A 75 4.192 6.863 -0.261 1.00 31.25 C ATOM 0 H ALA A 75 6.444 7.137 0.684 1.00 23.22 H new ATOM 0 HA ALA A 75 4.411 8.980 0.007 1.00 4.52 H new ATOM 0 HB1 ALA A 75 3.139 6.920 -0.539 1.00 31.25 H new ATOM 0 HB2 ALA A 75 4.805 6.852 -1.162 1.00 31.25 H new ATOM 0 HB3 ALA A 75 4.368 5.951 0.309 1.00 31.25 H new ATOM 1141 N VAL A 76 3.846 7.252 2.764 1.00 20.03 N ATOM 1142 CA VAL A 76 3.080 7.271 4.009 1.00 45.32 C ATOM 1143 C VAL A 76 3.308 8.586 4.779 1.00 12.53 C ATOM 1144 O VAL A 76 2.382 9.122 5.393 1.00 53.12 O ATOM 1145 CB VAL A 76 3.426 6.054 4.897 1.00 61.33 C ATOM 1146 CG1 VAL A 76 2.647 6.090 6.202 1.00 55.23 C ATOM 1147 CG2 VAL A 76 3.146 4.756 4.143 1.00 52.13 C ATOM 0 H VAL A 76 4.530 6.498 2.700 1.00 20.03 H new ATOM 0 HA VAL A 76 2.024 7.208 3.747 1.00 45.32 H new ATOM 0 HB VAL A 76 4.488 6.099 5.139 1.00 61.33 H new ATOM 0 HG11 VAL A 76 2.910 5.222 6.807 1.00 55.23 H new ATOM 0 HG12 VAL A 76 2.893 7.001 6.748 1.00 55.23 H new ATOM 0 HG13 VAL A 76 1.578 6.073 5.988 1.00 55.23 H new ATOM 0 HG21 VAL A 76 3.393 3.906 4.778 1.00 52.13 H new ATOM 0 HG22 VAL A 76 2.091 4.712 3.873 1.00 52.13 H new ATOM 0 HG23 VAL A 76 3.754 4.722 3.239 1.00 52.13 H new ATOM 1157 N ASN A 77 4.540 9.109 4.724 1.00 72.44 N ATOM 1158 CA ASN A 77 4.849 10.453 5.243 1.00 63.21 C ATOM 1159 C ASN A 77 3.874 11.481 4.674 1.00 2.24 C ATOM 1160 O ASN A 77 3.293 12.284 5.399 1.00 74.32 O ATOM 1161 CB ASN A 77 6.283 10.849 4.862 1.00 62.14 C ATOM 1162 CG ASN A 77 6.591 12.312 5.135 1.00 71.22 C ATOM 1163 OD1 ASN A 77 6.950 12.696 6.243 1.00 1.54 O ATOM 1164 ND2 ASN A 77 6.467 13.140 4.116 1.00 51.44 N ATOM 0 H ASN A 77 5.343 8.622 4.325 1.00 72.44 H new ATOM 0 HA ASN A 77 4.754 10.432 6.329 1.00 63.21 H new ATOM 0 HB2 ASN A 77 6.985 10.227 5.417 1.00 62.14 H new ATOM 0 HB3 ASN A 77 6.441 10.642 3.804 1.00 62.14 H new ATOM 0 HD21 ASN A 77 6.672 14.132 4.237 1.00 51.44 H new ATOM 0 HD22 ASN A 77 6.166 12.789 3.207 1.00 51.44 H new ATOM 1171 N LEU A 78 3.700 11.420 3.365 1.00 50.24 N ATOM 1172 CA LEU A 78 2.837 12.341 2.634 1.00 43.14 C ATOM 1173 C LEU A 78 1.364 12.210 3.064 1.00 73.31 C ATOM 1174 O LEU A 78 0.640 13.206 3.140 1.00 33.30 O ATOM 1175 CB LEU A 78 3.020 12.066 1.138 1.00 1.24 C ATOM 1176 CG LEU A 78 4.465 12.256 0.641 1.00 62.12 C ATOM 1177 CD1 LEU A 78 4.679 11.568 -0.699 1.00 30.23 C ATOM 1178 CD2 LEU A 78 4.823 13.740 0.553 1.00 2.51 C ATOM 0 H LEU A 78 4.156 10.726 2.772 1.00 50.24 H new ATOM 0 HA LEU A 78 3.119 13.370 2.859 1.00 43.14 H new ATOM 0 HB2 LEU A 78 2.704 11.045 0.925 1.00 1.24 H new ATOM 0 HB3 LEU A 78 2.362 12.727 0.574 1.00 1.24 H new ATOM 0 HG LEU A 78 5.130 11.790 1.368 1.00 62.12 H new ATOM 0 HD11 LEU A 78 5.708 11.719 -1.025 1.00 30.23 H new ATOM 0 HD12 LEU A 78 4.484 10.501 -0.595 1.00 30.23 H new ATOM 0 HD13 LEU A 78 3.998 11.991 -1.438 1.00 30.23 H new ATOM 0 HD21 LEU A 78 5.849 13.847 0.200 1.00 2.51 H new ATOM 0 HD22 LEU A 78 4.146 14.237 -0.142 1.00 2.51 H new ATOM 0 HD23 LEU A 78 4.730 14.196 1.539 1.00 2.51 H new ATOM 1190 N LEU A 79 0.927 10.986 3.370 1.00 41.34 N ATOM 1191 CA LEU A 79 -0.443 10.754 3.849 1.00 53.13 C ATOM 1192 C LEU A 79 -0.647 11.260 5.288 1.00 53.42 C ATOM 1193 O LEU A 79 -1.571 12.033 5.551 1.00 40.35 O ATOM 1194 CB LEU A 79 -0.810 9.267 3.756 1.00 1.15 C ATOM 1195 CG LEU A 79 -1.076 8.748 2.335 1.00 2.54 C ATOM 1196 CD1 LEU A 79 -1.384 7.251 2.357 1.00 2.10 C ATOM 1197 CD2 LEU A 79 -2.215 9.529 1.679 1.00 15.13 C ATOM 0 H LEU A 79 1.496 10.143 3.296 1.00 41.34 H new ATOM 0 HA LEU A 79 -1.106 11.325 3.200 1.00 53.13 H new ATOM 0 HB2 LEU A 79 -0.002 8.681 4.194 1.00 1.15 H new ATOM 0 HB3 LEU A 79 -1.698 9.089 4.363 1.00 1.15 H new ATOM 0 HG LEU A 79 -0.175 8.900 1.740 1.00 2.54 H new ATOM 0 HD11 LEU A 79 -1.569 6.903 1.341 1.00 2.10 H new ATOM 0 HD12 LEU A 79 -0.535 6.711 2.776 1.00 2.10 H new ATOM 0 HD13 LEU A 79 -2.267 7.070 2.969 1.00 2.10 H new ATOM 0 HD21 LEU A 79 -2.387 9.146 0.673 1.00 15.13 H new ATOM 0 HD22 LEU A 79 -3.123 9.415 2.271 1.00 15.13 H new ATOM 0 HD23 LEU A 79 -1.948 10.584 1.624 1.00 15.13 H new ATOM 1209 N ARG A 80 0.211 10.840 6.225 1.00 14.14 N ATOM 1210 CA ARG A 80 0.109 11.335 7.607 1.00 14.50 C ATOM 1211 C ARG A 80 0.319 12.862 7.650 1.00 32.34 C ATOM 1212 O ARG A 80 -0.252 13.556 8.491 1.00 32.21 O ATOM 1213 CB ARG A 80 1.075 10.593 8.560 1.00 24.31 C ATOM 1214 CG ARG A 80 2.529 10.555 8.107 1.00 0.33 C ATOM 1215 CD ARG A 80 3.416 9.744 9.062 1.00 74.34 C ATOM 1216 NE ARG A 80 2.910 8.381 9.281 1.00 52.10 N ATOM 1217 CZ ARG A 80 3.597 7.281 9.059 1.00 51.15 C ATOM 1218 NH1 ARG A 80 4.809 7.329 8.601 1.00 22.14 N ATOM 1219 NH2 ARG A 80 3.056 6.124 9.285 1.00 42.03 N ATOM 0 H ARG A 80 0.967 10.175 6.061 1.00 14.14 H new ATOM 0 HA ARG A 80 -0.899 11.124 7.965 1.00 14.50 H new ATOM 0 HB2 ARG A 80 1.029 11.067 9.540 1.00 24.31 H new ATOM 0 HB3 ARG A 80 0.723 9.569 8.684 1.00 24.31 H new ATOM 0 HG2 ARG A 80 2.585 10.123 7.108 1.00 0.33 H new ATOM 0 HG3 ARG A 80 2.912 11.573 8.036 1.00 0.33 H new ATOM 0 HD2 ARG A 80 4.427 9.692 8.658 1.00 74.34 H new ATOM 0 HD3 ARG A 80 3.482 10.262 10.019 1.00 74.34 H new ATOM 0 HE ARG A 80 1.957 8.281 9.630 1.00 52.10 H new ATOM 0 HH11 ARG A 80 5.245 8.230 8.407 1.00 22.14 H new ATOM 0 HH12 ARG A 80 5.326 6.466 8.435 1.00 22.14 H new ATOM 0 HH21 ARG A 80 2.099 6.068 9.634 1.00 42.03 H new ATOM 0 HH22 ARG A 80 3.587 5.270 9.113 1.00 42.03 H new ATOM 1233 N SER A 81 1.114 13.380 6.710 1.00 72.24 N ATOM 1234 CA SER A 81 1.245 14.836 6.513 1.00 75.45 C ATOM 1235 C SER A 81 -0.070 15.440 5.996 1.00 0.23 C ATOM 1236 O SER A 81 -0.463 16.541 6.390 1.00 32.04 O ATOM 1237 CB SER A 81 2.377 15.159 5.522 1.00 3.21 C ATOM 1238 OG SER A 81 2.422 16.548 5.224 1.00 1.21 O ATOM 0 H SER A 81 1.678 12.819 6.072 1.00 72.24 H new ATOM 0 HA SER A 81 1.484 15.275 7.482 1.00 75.45 H new ATOM 0 HB2 SER A 81 3.332 14.844 5.942 1.00 3.21 H new ATOM 0 HB3 SER A 81 2.231 14.592 4.602 1.00 3.21 H new ATOM 0 HG SER A 81 3.151 16.724 4.594 1.00 1.21 H new ATOM 1244 N ALA A 82 -0.758 14.703 5.122 1.00 52.43 N ATOM 1245 CA ALA A 82 -2.057 15.132 4.584 1.00 52.12 C ATOM 1246 C ALA A 82 -3.176 15.022 5.640 1.00 12.52 C ATOM 1247 O ALA A 82 -4.346 15.280 5.348 1.00 71.32 O ATOM 1248 CB ALA A 82 -2.407 14.315 3.340 1.00 34.32 C ATOM 0 H ALA A 82 -0.438 13.801 4.768 1.00 52.43 H new ATOM 0 HA ALA A 82 -1.974 16.183 4.307 1.00 52.12 H new ATOM 0 HB1 ALA A 82 -3.371 14.641 2.950 1.00 34.32 H new ATOM 0 HB2 ALA A 82 -1.639 14.462 2.580 1.00 34.32 H new ATOM 0 HB3 ALA A 82 -2.460 13.258 3.602 1.00 34.32 H new ATOM 1254 N GLY A 83 -2.815 14.629 6.865 1.00 30.40 N ATOM 1255 CA GLY A 83 -3.781 14.580 7.958 1.00 62.32 C ATOM 1256 C GLY A 83 -4.404 13.202 8.164 1.00 75.14 C ATOM 1257 O GLY A 83 -5.334 13.050 8.956 1.00 4.11 O ATOM 0 H GLY A 83 -1.870 14.343 7.120 1.00 30.40 H new ATOM 0 HA2 GLY A 83 -3.289 14.888 8.880 1.00 62.32 H new ATOM 0 HA3 GLY A 83 -4.574 15.302 7.763 1.00 62.32 H new ATOM 1261 N PHE A 84 -3.905 12.196 7.450 1.00 72.41 N ATOM 1262 CA PHE A 84 -4.412 10.825 7.599 1.00 21.02 C ATOM 1263 C PHE A 84 -3.978 10.213 8.939 1.00 42.54 C ATOM 1264 O PHE A 84 -2.786 10.068 9.220 1.00 22.33 O ATOM 1265 CB PHE A 84 -3.961 9.942 6.426 1.00 40.32 C ATOM 1266 CG PHE A 84 -4.671 10.257 5.130 1.00 45.34 C ATOM 1267 CD1 PHE A 84 -4.308 11.360 4.372 1.00 75.14 C ATOM 1268 CD2 PHE A 84 -5.708 9.450 4.676 1.00 12.20 C ATOM 1269 CE1 PHE A 84 -4.963 11.653 3.191 1.00 14.34 C ATOM 1270 CE2 PHE A 84 -6.365 9.739 3.497 1.00 53.22 C ATOM 1271 CZ PHE A 84 -5.994 10.842 2.755 1.00 2.44 C ATOM 0 H PHE A 84 -3.155 12.298 6.766 1.00 72.41 H new ATOM 0 HA PHE A 84 -5.501 10.873 7.590 1.00 21.02 H new ATOM 0 HB2 PHE A 84 -2.887 10.063 6.282 1.00 40.32 H new ATOM 0 HB3 PHE A 84 -4.133 8.896 6.681 1.00 40.32 H new ATOM 0 HD1 PHE A 84 -3.504 11.998 4.709 1.00 75.14 H new ATOM 0 HD2 PHE A 84 -6.003 8.586 5.253 1.00 12.20 H new ATOM 0 HE1 PHE A 84 -4.670 12.514 2.609 1.00 14.34 H new ATOM 0 HE2 PHE A 84 -7.168 9.103 3.156 1.00 53.22 H new ATOM 0 HZ PHE A 84 -6.509 11.071 1.834 1.00 2.44 H new ATOM 1281 N GLU A 85 -4.965 9.875 9.766 1.00 52.21 N ATOM 1282 CA GLU A 85 -4.725 9.296 11.091 1.00 34.44 C ATOM 1283 C GLU A 85 -4.220 7.849 10.999 1.00 64.31 C ATOM 1284 O GLU A 85 -3.155 7.514 11.521 1.00 24.44 O ATOM 1285 CB GLU A 85 -6.019 9.325 11.921 1.00 22.24 C ATOM 1286 CG GLU A 85 -6.592 10.722 12.143 1.00 31.04 C ATOM 1287 CD GLU A 85 -7.857 10.710 12.989 1.00 33.12 C ATOM 1288 OE1 GLU A 85 -8.920 10.310 12.472 1.00 21.15 O ATOM 1289 OE2 GLU A 85 -7.790 11.084 14.181 1.00 14.52 O ATOM 0 H GLU A 85 -5.952 9.993 9.540 1.00 52.21 H new ATOM 0 HA GLU A 85 -3.955 9.898 11.574 1.00 34.44 H new ATOM 0 HB2 GLU A 85 -6.770 8.712 11.423 1.00 22.24 H new ATOM 0 HB3 GLU A 85 -5.825 8.866 12.891 1.00 22.24 H new ATOM 0 HG2 GLU A 85 -5.841 11.345 12.628 1.00 31.04 H new ATOM 0 HG3 GLU A 85 -6.810 11.179 11.178 1.00 31.04 H new ATOM 1296 N HIS A 86 -4.990 6.991 10.330 1.00 42.14 N ATOM 1297 CA HIS A 86 -4.688 5.551 10.290 1.00 51.15 C ATOM 1298 C HIS A 86 -3.974 5.141 8.992 1.00 1.12 C ATOM 1299 O HIS A 86 -4.617 4.801 8.007 1.00 73.44 O ATOM 1300 CB HIS A 86 -5.978 4.732 10.449 1.00 33.20 C ATOM 1301 CG HIS A 86 -6.667 4.928 11.765 1.00 70.02 C ATOM 1302 ND1 HIS A 86 -6.875 3.909 12.668 1.00 75.04 N ATOM 1303 CD2 HIS A 86 -7.200 6.035 12.328 1.00 31.11 C ATOM 1304 CE1 HIS A 86 -7.499 4.385 13.726 1.00 15.00 C ATOM 1305 NE2 HIS A 86 -7.707 5.670 13.544 1.00 61.02 N ATOM 0 H HIS A 86 -5.824 7.261 9.809 1.00 42.14 H new ATOM 0 HA HIS A 86 -4.013 5.343 11.120 1.00 51.15 H new ATOM 0 HB2 HIS A 86 -6.666 4.999 9.647 1.00 33.20 H new ATOM 0 HB3 HIS A 86 -5.742 3.675 10.328 1.00 33.20 H new ATOM 0 HD1 HIS A 86 -6.591 2.938 12.538 1.00 75.04 H new ATOM 0 HD2 HIS A 86 -7.221 7.025 11.897 1.00 31.11 H new ATOM 0 HE1 HIS A 86 -7.790 3.815 14.596 1.00 15.00 H new ATOM 1314 N VAL A 87 -2.642 5.182 8.992 1.00 61.10 N ATOM 1315 CA VAL A 87 -1.853 4.716 7.837 1.00 2.21 C ATOM 1316 C VAL A 87 -0.639 3.892 8.292 1.00 32.13 C ATOM 1317 O VAL A 87 0.025 4.240 9.270 1.00 54.55 O ATOM 1318 CB VAL A 87 -1.353 5.889 6.948 1.00 55.34 C ATOM 1319 CG1 VAL A 87 -0.696 5.357 5.673 1.00 61.33 C ATOM 1320 CG2 VAL A 87 -2.490 6.845 6.601 1.00 45.42 C ATOM 0 H VAL A 87 -2.083 5.530 9.771 1.00 61.10 H new ATOM 0 HA VAL A 87 -2.525 4.094 7.246 1.00 2.21 H new ATOM 0 HB VAL A 87 -0.609 6.444 7.519 1.00 55.34 H new ATOM 0 HG11 VAL A 87 -0.353 6.194 5.064 1.00 61.33 H new ATOM 0 HG12 VAL A 87 0.154 4.728 5.937 1.00 61.33 H new ATOM 0 HG13 VAL A 87 -1.420 4.770 5.108 1.00 61.33 H new ATOM 0 HG21 VAL A 87 -2.108 7.654 5.979 1.00 45.42 H new ATOM 0 HG22 VAL A 87 -3.266 6.305 6.058 1.00 45.42 H new ATOM 0 HG23 VAL A 87 -2.909 7.259 7.518 1.00 45.42 H new ATOM 1330 N SER A 88 -0.354 2.804 7.576 1.00 20.45 N ATOM 1331 CA SER A 88 0.771 1.916 7.906 1.00 14.25 C ATOM 1332 C SER A 88 1.598 1.584 6.659 1.00 25.14 C ATOM 1333 O SER A 88 1.046 1.257 5.604 1.00 34.11 O ATOM 1334 CB SER A 88 0.247 0.617 8.536 1.00 45.41 C ATOM 1335 OG SER A 88 1.289 -0.323 8.752 1.00 62.23 O ATOM 0 H SER A 88 -0.888 2.512 6.758 1.00 20.45 H new ATOM 0 HA SER A 88 1.413 2.436 8.617 1.00 14.25 H new ATOM 0 HB2 SER A 88 -0.240 0.844 9.484 1.00 45.41 H new ATOM 0 HB3 SER A 88 -0.510 0.178 7.886 1.00 45.41 H new ATOM 0 HG SER A 88 0.952 -1.065 9.296 1.00 62.23 H new ATOM 1341 N GLU A 89 2.918 1.676 6.777 1.00 50.30 N ATOM 1342 CA GLU A 89 3.818 1.351 5.667 1.00 33.22 C ATOM 1343 C GLU A 89 4.224 -0.138 5.687 1.00 61.22 C ATOM 1344 O GLU A 89 4.614 -0.682 6.721 1.00 24.30 O ATOM 1345 CB GLU A 89 5.065 2.267 5.672 1.00 70.13 C ATOM 1346 CG GLU A 89 5.711 2.496 7.040 1.00 51.10 C ATOM 1347 CD GLU A 89 5.159 3.722 7.783 1.00 33.00 C ATOM 1348 OE1 GLU A 89 4.035 3.658 8.318 1.00 73.35 O ATOM 1349 OE2 GLU A 89 5.859 4.760 7.846 1.00 43.15 O ATOM 0 H GLU A 89 3.393 1.973 7.630 1.00 50.30 H new ATOM 0 HA GLU A 89 3.273 1.532 4.740 1.00 33.22 H new ATOM 0 HB2 GLU A 89 5.812 1.837 5.005 1.00 70.13 H new ATOM 0 HB3 GLU A 89 4.785 3.235 5.256 1.00 70.13 H new ATOM 0 HG2 GLU A 89 5.561 1.610 7.657 1.00 51.10 H new ATOM 0 HG3 GLU A 89 6.787 2.615 6.909 1.00 51.10 H new ATOM 1356 N LEU A 90 4.117 -0.796 4.532 1.00 14.43 N ATOM 1357 CA LEU A 90 4.394 -2.235 4.417 1.00 13.23 C ATOM 1358 C LEU A 90 5.888 -2.516 4.162 1.00 22.34 C ATOM 1359 O LEU A 90 6.521 -1.862 3.336 1.00 23.22 O ATOM 1360 CB LEU A 90 3.561 -2.834 3.272 1.00 22.21 C ATOM 1361 CG LEU A 90 3.566 -4.371 3.180 1.00 13.43 C ATOM 1362 CD1 LEU A 90 2.769 -4.983 4.329 1.00 13.31 C ATOM 1363 CD2 LEU A 90 3.019 -4.843 1.832 1.00 71.11 C ATOM 0 H LEU A 90 3.839 -0.355 3.655 1.00 14.43 H new ATOM 0 HA LEU A 90 4.122 -2.699 5.365 1.00 13.23 H new ATOM 0 HB2 LEU A 90 2.530 -2.498 3.382 1.00 22.21 H new ATOM 0 HB3 LEU A 90 3.929 -2.430 2.329 1.00 22.21 H new ATOM 0 HG LEU A 90 4.599 -4.709 3.261 1.00 13.43 H new ATOM 0 HD11 LEU A 90 2.785 -6.070 4.245 1.00 13.31 H new ATOM 0 HD12 LEU A 90 3.213 -4.686 5.279 1.00 13.31 H new ATOM 0 HD13 LEU A 90 1.738 -4.631 4.285 1.00 13.31 H new ATOM 0 HD21 LEU A 90 3.034 -5.932 1.794 1.00 71.11 H new ATOM 0 HD22 LEU A 90 1.995 -4.490 1.711 1.00 71.11 H new ATOM 0 HD23 LEU A 90 3.638 -4.444 1.028 1.00 71.11 H new ATOM 1375 N LYS A 91 6.436 -3.507 4.865 1.00 3.30 N ATOM 1376 CA LYS A 91 7.836 -3.917 4.679 1.00 2.45 C ATOM 1377 C LYS A 91 8.017 -4.763 3.405 1.00 70.14 C ATOM 1378 O LYS A 91 7.234 -5.679 3.145 1.00 20.21 O ATOM 1379 CB LYS A 91 8.321 -4.738 5.885 1.00 53.20 C ATOM 1380 CG LYS A 91 8.373 -3.979 7.208 1.00 21.51 C ATOM 1381 CD LYS A 91 9.106 -4.791 8.280 1.00 3.02 C ATOM 1382 CE LYS A 91 8.509 -6.189 8.448 1.00 61.31 C ATOM 1383 NZ LYS A 91 9.323 -7.050 9.348 1.00 31.11 N ATOM 0 H LYS A 91 5.934 -4.045 5.571 1.00 3.30 H new ATOM 0 HA LYS A 91 8.425 -3.005 4.584 1.00 2.45 H new ATOM 0 HB2 LYS A 91 7.665 -5.600 6.005 1.00 53.20 H new ATOM 0 HB3 LYS A 91 9.317 -5.123 5.666 1.00 53.20 H new ATOM 0 HG2 LYS A 91 8.877 -3.023 7.063 1.00 21.51 H new ATOM 0 HG3 LYS A 91 7.360 -3.758 7.544 1.00 21.51 H new ATOM 0 HD2 LYS A 91 10.159 -4.876 8.013 1.00 3.02 H new ATOM 0 HD3 LYS A 91 9.060 -4.261 9.231 1.00 3.02 H new ATOM 0 HE2 LYS A 91 7.498 -6.104 8.848 1.00 61.31 H new ATOM 0 HE3 LYS A 91 8.426 -6.665 7.471 1.00 61.31 H new ATOM 0 HZ1 LYS A 91 8.877 -7.986 9.430 1.00 31.11 H new ATOM 0 HZ2 LYS A 91 10.280 -7.155 8.955 1.00 31.11 H new ATOM 0 HZ3 LYS A 91 9.381 -6.611 10.289 1.00 31.11 H new ATOM 1397 N GLY A 92 9.046 -4.453 2.614 1.00 5.31 N ATOM 1398 CA GLY A 92 9.401 -5.292 1.465 1.00 73.23 C ATOM 1399 C GLY A 92 8.579 -5.028 0.204 1.00 54.40 C ATOM 1400 O GLY A 92 9.033 -5.304 -0.908 1.00 43.12 O ATOM 0 H GLY A 92 9.643 -3.636 2.744 1.00 5.31 H new ATOM 0 HA2 GLY A 92 10.455 -5.140 1.234 1.00 73.23 H new ATOM 0 HA3 GLY A 92 9.284 -6.339 1.746 1.00 73.23 H new ATOM 1404 N GLY A 93 7.363 -4.519 0.369 1.00 14.31 N ATOM 1405 CA GLY A 93 6.507 -4.228 -0.776 1.00 64.21 C ATOM 1406 C GLY A 93 5.917 -5.478 -1.430 1.00 5.14 C ATOM 1407 O GLY A 93 5.756 -6.515 -0.781 1.00 51.43 O ATOM 0 H GLY A 93 6.950 -4.301 1.276 1.00 14.31 H new ATOM 0 HA2 GLY A 93 5.694 -3.577 -0.455 1.00 64.21 H new ATOM 0 HA3 GLY A 93 7.083 -3.676 -1.519 1.00 64.21 H new ATOM 1411 N LEU A 94 5.597 -5.384 -2.724 1.00 3.02 N ATOM 1412 CA LEU A 94 4.947 -6.489 -3.441 1.00 41.50 C ATOM 1413 C LEU A 94 5.848 -7.734 -3.533 1.00 13.43 C ATOM 1414 O LEU A 94 5.371 -8.855 -3.389 1.00 53.02 O ATOM 1415 CB LEU A 94 4.524 -6.057 -4.849 1.00 31.22 C ATOM 1416 CG LEU A 94 3.659 -7.082 -5.602 1.00 62.45 C ATOM 1417 CD1 LEU A 94 2.299 -7.235 -4.930 1.00 52.31 C ATOM 1418 CD2 LEU A 94 3.502 -6.699 -7.069 1.00 55.31 C ATOM 0 H LEU A 94 5.776 -4.559 -3.296 1.00 3.02 H new ATOM 0 HA LEU A 94 4.062 -6.755 -2.863 1.00 41.50 H new ATOM 0 HB2 LEU A 94 3.972 -5.120 -4.777 1.00 31.22 H new ATOM 0 HB3 LEU A 94 5.419 -5.855 -5.437 1.00 31.22 H new ATOM 0 HG LEU A 94 4.169 -8.045 -5.564 1.00 62.45 H new ATOM 0 HD11 LEU A 94 1.702 -7.964 -5.478 1.00 52.31 H new ATOM 0 HD12 LEU A 94 2.436 -7.576 -3.904 1.00 52.31 H new ATOM 0 HD13 LEU A 94 1.784 -6.274 -4.927 1.00 52.31 H new ATOM 0 HD21 LEU A 94 2.886 -7.442 -7.575 1.00 55.31 H new ATOM 0 HD22 LEU A 94 3.024 -5.722 -7.141 1.00 55.31 H new ATOM 0 HD23 LEU A 94 4.483 -6.659 -7.542 1.00 55.31 H new ATOM 1430 N ALA A 95 7.141 -7.533 -3.790 1.00 11.43 N ATOM 1431 CA ALA A 95 8.106 -8.639 -3.855 1.00 53.14 C ATOM 1432 C ALA A 95 8.056 -9.527 -2.598 1.00 12.13 C ATOM 1433 O ALA A 95 8.139 -10.752 -2.694 1.00 54.51 O ATOM 1434 CB ALA A 95 9.514 -8.093 -4.066 1.00 61.42 C ATOM 0 H ALA A 95 7.548 -6.613 -3.957 1.00 11.43 H new ATOM 0 HA ALA A 95 7.831 -9.266 -4.703 1.00 53.14 H new ATOM 0 HB1 ALA A 95 10.222 -8.921 -4.113 1.00 61.42 H new ATOM 0 HB2 ALA A 95 9.550 -7.531 -4.999 1.00 61.42 H new ATOM 0 HB3 ALA A 95 9.778 -7.436 -3.237 1.00 61.42 H new ATOM 1440 N ALA A 96 7.923 -8.904 -1.424 1.00 31.21 N ATOM 1441 CA ALA A 96 7.761 -9.643 -0.163 1.00 24.52 C ATOM 1442 C ALA A 96 6.404 -10.362 -0.123 1.00 24.32 C ATOM 1443 O ALA A 96 6.324 -11.561 0.161 1.00 61.43 O ATOM 1444 CB ALA A 96 7.901 -8.696 1.028 1.00 60.41 C ATOM 0 H ALA A 96 7.924 -7.890 -1.317 1.00 31.21 H new ATOM 0 HA ALA A 96 8.546 -10.397 -0.103 1.00 24.52 H new ATOM 0 HB1 ALA A 96 7.779 -9.256 1.955 1.00 60.41 H new ATOM 0 HB2 ALA A 96 8.888 -8.233 1.011 1.00 60.41 H new ATOM 0 HB3 ALA A 96 7.136 -7.922 0.969 1.00 60.41 H new ATOM 1450 N TRP A 97 5.345 -9.610 -0.427 1.00 0.10 N ATOM 1451 CA TRP A 97 3.983 -10.157 -0.545 1.00 24.23 C ATOM 1452 C TRP A 97 3.969 -11.407 -1.441 1.00 34.41 C ATOM 1453 O TRP A 97 3.300 -12.399 -1.152 1.00 14.54 O ATOM 1454 CB TRP A 97 3.061 -9.078 -1.132 1.00 33.15 C ATOM 1455 CG TRP A 97 1.625 -9.491 -1.257 1.00 21.31 C ATOM 1456 CD1 TRP A 97 1.029 -10.077 -2.333 1.00 45.33 C ATOM 1457 CD2 TRP A 97 0.607 -9.331 -0.272 1.00 51.42 C ATOM 1458 NE1 TRP A 97 -0.302 -10.293 -2.076 1.00 22.53 N ATOM 1459 CE2 TRP A 97 -0.585 -9.844 -0.816 1.00 2.00 C ATOM 1460 CE3 TRP A 97 0.591 -8.807 1.019 1.00 41.11 C ATOM 1461 CZ2 TRP A 97 -1.783 -9.842 -0.113 1.00 23.10 C ATOM 1462 CZ3 TRP A 97 -0.600 -8.803 1.717 1.00 55.20 C ATOM 1463 CH2 TRP A 97 -1.774 -9.319 1.150 1.00 63.34 C ATOM 0 H TRP A 97 5.402 -8.606 -0.599 1.00 0.10 H new ATOM 0 HA TRP A 97 3.630 -10.449 0.444 1.00 24.23 H new ATOM 0 HB2 TRP A 97 3.117 -8.189 -0.504 1.00 33.15 H new ATOM 0 HB3 TRP A 97 3.433 -8.797 -2.117 1.00 33.15 H new ATOM 0 HD1 TRP A 97 1.531 -10.334 -3.254 1.00 45.33 H new ATOM 0 HE1 TRP A 97 -0.970 -10.718 -2.719 1.00 22.53 H new ATOM 0 HE3 TRP A 97 1.492 -8.412 1.465 1.00 41.11 H new ATOM 0 HZ2 TRP A 97 -2.688 -10.239 -0.548 1.00 23.10 H new ATOM 0 HZ3 TRP A 97 -0.628 -8.396 2.717 1.00 55.20 H new ATOM 0 HH2 TRP A 97 -2.690 -9.303 1.723 1.00 63.34 H new ATOM 1474 N LYS A 98 4.720 -11.342 -2.530 1.00 65.53 N ATOM 1475 CA LYS A 98 4.832 -12.447 -3.482 1.00 15.14 C ATOM 1476 C LYS A 98 5.780 -13.550 -2.986 1.00 11.35 C ATOM 1477 O LYS A 98 5.528 -14.734 -3.208 1.00 45.01 O ATOM 1478 CB LYS A 98 5.301 -11.901 -4.839 1.00 62.03 C ATOM 1479 CG LYS A 98 4.243 -11.059 -5.544 1.00 22.34 C ATOM 1480 CD LYS A 98 4.806 -10.241 -6.707 1.00 50.24 C ATOM 1481 CE LYS A 98 5.614 -11.084 -7.686 1.00 44.43 C ATOM 1482 NZ LYS A 98 5.731 -10.421 -9.014 1.00 14.12 N ATOM 0 H LYS A 98 5.272 -10.522 -2.783 1.00 65.53 H new ATOM 0 HA LYS A 98 3.848 -12.904 -3.587 1.00 15.14 H new ATOM 0 HB2 LYS A 98 6.197 -11.298 -4.691 1.00 62.03 H new ATOM 0 HB3 LYS A 98 5.581 -12.735 -5.482 1.00 62.03 H new ATOM 0 HG2 LYS A 98 3.455 -11.713 -5.916 1.00 22.34 H new ATOM 0 HG3 LYS A 98 3.783 -10.384 -4.822 1.00 22.34 H new ATOM 0 HD2 LYS A 98 3.984 -9.762 -7.239 1.00 50.24 H new ATOM 0 HD3 LYS A 98 5.438 -9.445 -6.313 1.00 50.24 H new ATOM 0 HE2 LYS A 98 6.609 -11.262 -7.279 1.00 44.43 H new ATOM 0 HE3 LYS A 98 5.140 -12.058 -7.806 1.00 44.43 H new ATOM 0 HZ1 LYS A 98 6.287 -11.023 -9.655 1.00 14.12 H new ATOM 0 HZ2 LYS A 98 4.782 -10.274 -9.413 1.00 14.12 H new ATOM 0 HZ3 LYS A 98 6.206 -9.502 -8.903 1.00 14.12 H new ATOM 1496 N ALA A 99 6.859 -13.162 -2.308 1.00 65.01 N ATOM 1497 CA ALA A 99 7.844 -14.126 -1.790 1.00 32.42 C ATOM 1498 C ALA A 99 7.210 -15.096 -0.782 1.00 1.21 C ATOM 1499 O ALA A 99 7.591 -16.266 -0.693 1.00 33.23 O ATOM 1500 CB ALA A 99 9.018 -13.389 -1.151 1.00 60.25 C ATOM 0 H ALA A 99 7.078 -12.188 -2.102 1.00 65.01 H new ATOM 0 HA ALA A 99 8.208 -14.715 -2.632 1.00 32.42 H new ATOM 0 HB1 ALA A 99 9.739 -14.113 -0.772 1.00 60.25 H new ATOM 0 HB2 ALA A 99 9.498 -12.754 -1.896 1.00 60.25 H new ATOM 0 HB3 ALA A 99 8.656 -12.772 -0.328 1.00 60.25 H new ATOM 1506 N ILE A 100 6.244 -14.601 -0.016 1.00 42.01 N ATOM 1507 CA ILE A 100 5.491 -15.438 0.927 1.00 71.10 C ATOM 1508 C ILE A 100 4.347 -16.193 0.216 1.00 64.20 C ATOM 1509 O ILE A 100 3.671 -17.029 0.812 1.00 32.20 O ATOM 1510 CB ILE A 100 4.900 -14.579 2.071 1.00 12.25 C ATOM 1511 CG1 ILE A 100 3.826 -13.631 1.512 1.00 33.32 C ATOM 1512 CG2 ILE A 100 6.006 -13.792 2.777 1.00 53.52 C ATOM 1513 CD1 ILE A 100 3.164 -12.762 2.551 1.00 51.31 C ATOM 0 H ILE A 100 5.959 -13.622 -0.026 1.00 42.01 H new ATOM 0 HA ILE A 100 6.189 -16.165 1.343 1.00 71.10 H new ATOM 0 HB ILE A 100 4.435 -15.238 2.805 1.00 12.25 H new ATOM 0 HG12 ILE A 100 4.281 -12.991 0.756 1.00 33.32 H new ATOM 0 HG13 ILE A 100 3.061 -14.223 1.010 1.00 33.32 H new ATOM 0 HG21 ILE A 100 5.572 -13.194 3.578 1.00 53.52 H new ATOM 0 HG22 ILE A 100 6.735 -14.485 3.196 1.00 53.52 H new ATOM 0 HG23 ILE A 100 6.500 -13.135 2.060 1.00 53.52 H new ATOM 0 HD11 ILE A 100 2.421 -12.125 2.072 1.00 51.31 H new ATOM 0 HD12 ILE A 100 2.677 -13.392 3.295 1.00 51.31 H new ATOM 0 HD13 ILE A 100 3.915 -12.140 3.038 1.00 51.31 H new ATOM 1525 N GLY A 101 4.137 -15.882 -1.061 1.00 63.45 N ATOM 1526 CA GLY A 101 3.073 -16.515 -1.834 1.00 40.14 C ATOM 1527 C GLY A 101 1.704 -15.877 -1.608 1.00 44.14 C ATOM 1528 O GLY A 101 0.698 -16.576 -1.500 1.00 54.32 O ATOM 0 H GLY A 101 4.688 -15.198 -1.580 1.00 63.45 H new ATOM 0 HA2 GLY A 101 3.321 -16.461 -2.894 1.00 40.14 H new ATOM 0 HA3 GLY A 101 3.022 -17.572 -1.572 1.00 40.14 H new ATOM 1532 N GLY A 102 1.667 -14.550 -1.515 1.00 4.42 N ATOM 1533 CA GLY A 102 0.406 -13.834 -1.350 1.00 61.53 C ATOM 1534 C GLY A 102 -0.380 -13.676 -2.651 1.00 64.35 C ATOM 1535 O GLY A 102 0.205 -13.669 -3.737 1.00 51.23 O ATOM 0 H GLY A 102 2.492 -13.951 -1.551 1.00 4.42 H new ATOM 0 HA2 GLY A 102 -0.211 -14.364 -0.624 1.00 61.53 H new ATOM 0 HA3 GLY A 102 0.609 -12.847 -0.936 1.00 61.53 H new ATOM 1539 N PRO A 103 -1.721 -13.540 -2.574 1.00 10.32 N ATOM 1540 CA PRO A 103 -2.572 -13.365 -3.768 1.00 74.13 C ATOM 1541 C PRO A 103 -2.326 -12.020 -4.475 1.00 32.20 C ATOM 1542 O PRO A 103 -2.497 -10.950 -3.881 1.00 52.24 O ATOM 1543 CB PRO A 103 -4.000 -13.432 -3.200 1.00 62.02 C ATOM 1544 CG PRO A 103 -3.860 -13.040 -1.767 1.00 61.15 C ATOM 1545 CD PRO A 103 -2.513 -13.550 -1.326 1.00 44.22 C ATOM 0 HA PRO A 103 -2.369 -14.119 -4.529 1.00 74.13 H new ATOM 0 HB2 PRO A 103 -4.669 -12.755 -3.731 1.00 62.02 H new ATOM 0 HB3 PRO A 103 -4.417 -14.434 -3.297 1.00 62.02 H new ATOM 0 HG2 PRO A 103 -3.925 -11.958 -1.650 1.00 61.15 H new ATOM 0 HG3 PRO A 103 -4.658 -13.474 -1.164 1.00 61.15 H new ATOM 0 HD2 PRO A 103 -2.070 -12.909 -0.563 1.00 44.22 H new ATOM 0 HD3 PRO A 103 -2.581 -14.551 -0.901 1.00 44.22 H new ATOM 1553 N THR A 104 -1.914 -12.075 -5.742 1.00 22.02 N ATOM 1554 CA THR A 104 -1.607 -10.860 -6.513 1.00 23.34 C ATOM 1555 C THR A 104 -2.412 -10.765 -7.811 1.00 60.10 C ATOM 1556 O THR A 104 -2.814 -11.768 -8.398 1.00 32.42 O ATOM 1557 CB THR A 104 -0.101 -10.768 -6.875 1.00 42.53 C ATOM 1558 OG1 THR A 104 0.316 -11.940 -7.596 1.00 4.24 O ATOM 1559 CG2 THR A 104 0.755 -10.610 -5.627 1.00 53.30 C ATOM 0 H THR A 104 -1.784 -12.944 -6.259 1.00 22.02 H new ATOM 0 HA THR A 104 -1.884 -10.033 -5.859 1.00 23.34 H new ATOM 0 HB THR A 104 0.034 -9.889 -7.505 1.00 42.53 H new ATOM 0 HG1 THR A 104 1.268 -11.866 -7.818 1.00 4.24 H new ATOM 0 HG21 THR A 104 1.805 -10.548 -5.912 1.00 53.30 H new ATOM 0 HG22 THR A 104 0.467 -9.699 -5.101 1.00 53.30 H new ATOM 0 HG23 THR A 104 0.606 -11.469 -4.973 1.00 53.30 H new ATOM 1567 N GLU A 105 -2.660 -9.529 -8.228 1.00 24.35 N ATOM 1568 CA GLU A 105 -3.223 -9.228 -9.545 1.00 35.25 C ATOM 1569 C GLU A 105 -2.192 -8.482 -10.391 1.00 4.43 C ATOM 1570 O GLU A 105 -1.134 -8.093 -9.900 1.00 64.12 O ATOM 1571 CB GLU A 105 -4.473 -8.349 -9.421 1.00 63.25 C ATOM 1572 CG GLU A 105 -5.645 -9.011 -8.726 1.00 24.53 C ATOM 1573 CD GLU A 105 -6.796 -8.042 -8.499 1.00 14.13 C ATOM 1574 OE1 GLU A 105 -6.780 -7.314 -7.488 1.00 42.04 O ATOM 1575 OE2 GLU A 105 -7.707 -7.984 -9.348 1.00 1.24 O ATOM 0 H GLU A 105 -2.476 -8.701 -7.661 1.00 24.35 H new ATOM 0 HA GLU A 105 -3.492 -10.173 -10.017 1.00 35.25 H new ATOM 0 HB2 GLU A 105 -4.210 -7.442 -8.877 1.00 63.25 H new ATOM 0 HB3 GLU A 105 -4.786 -8.043 -10.419 1.00 63.25 H new ATOM 0 HG2 GLU A 105 -5.993 -9.853 -9.325 1.00 24.53 H new ATOM 0 HG3 GLU A 105 -5.317 -9.415 -7.768 1.00 24.53 H new ATOM 1582 N GLY A 106 -2.520 -8.254 -11.650 1.00 54.05 N ATOM 1583 CA GLY A 106 -1.635 -7.491 -12.521 1.00 63.35 C ATOM 1584 C GLY A 106 -1.659 -7.947 -13.970 1.00 54.30 C ATOM 1585 O GLY A 106 -2.440 -8.820 -14.350 1.00 5.03 O ATOM 0 H GLY A 106 -3.380 -8.580 -12.091 1.00 54.05 H new ATOM 0 HA2 GLY A 106 -1.915 -6.439 -12.476 1.00 63.35 H new ATOM 0 HA3 GLY A 106 -0.615 -7.566 -12.143 1.00 63.35 H new ATOM 1589 N ILE A 107 -0.804 -7.336 -14.780 1.00 13.13 N ATOM 1590 CA ILE A 107 -0.680 -7.676 -16.194 1.00 1.43 C ATOM 1591 C ILE A 107 0.506 -8.625 -16.406 1.00 74.44 C ATOM 1592 O ILE A 107 0.380 -9.671 -17.045 1.00 35.01 O ATOM 1593 CB ILE A 107 -0.487 -6.401 -17.056 1.00 5.20 C ATOM 1594 CG1 ILE A 107 -1.525 -5.326 -16.673 1.00 11.03 C ATOM 1595 CG2 ILE A 107 -0.570 -6.732 -18.547 1.00 64.13 C ATOM 1596 CD1 ILE A 107 -2.966 -5.752 -16.841 1.00 65.01 C ATOM 0 H ILE A 107 -0.177 -6.591 -14.477 1.00 13.13 H new ATOM 0 HA ILE A 107 -1.600 -8.170 -16.505 1.00 1.43 H new ATOM 0 HB ILE A 107 0.508 -6.002 -16.857 1.00 5.20 H new ATOM 0 HG12 ILE A 107 -1.364 -5.039 -15.634 1.00 11.03 H new ATOM 0 HG13 ILE A 107 -1.350 -4.438 -17.280 1.00 11.03 H new ATOM 0 HG21 ILE A 107 -0.432 -5.822 -19.130 1.00 64.13 H new ATOM 0 HG22 ILE A 107 0.209 -7.450 -18.804 1.00 64.13 H new ATOM 0 HG23 ILE A 107 -1.547 -7.161 -18.771 1.00 64.13 H new ATOM 0 HD11 ILE A 107 -3.624 -4.934 -16.548 1.00 65.01 H new ATOM 0 HD12 ILE A 107 -3.150 -6.010 -17.884 1.00 65.01 H new ATOM 0 HD13 ILE A 107 -3.165 -6.620 -16.212 1.00 65.01 H new ATOM 1608 N ILE A 108 1.663 -8.264 -15.850 1.00 1.03 N ATOM 1609 CA ILE A 108 2.851 -9.124 -15.948 1.00 61.51 C ATOM 1610 C ILE A 108 2.725 -10.372 -15.060 1.00 52.44 C ATOM 1611 O ILE A 108 3.217 -11.451 -15.402 1.00 23.23 O ATOM 1612 CB ILE A 108 4.151 -8.338 -15.613 1.00 71.52 C ATOM 1613 CG1 ILE A 108 4.605 -7.498 -16.828 1.00 45.11 C ATOM 1614 CG2 ILE A 108 5.270 -9.275 -15.155 1.00 4.14 C ATOM 1615 CD1 ILE A 108 3.624 -6.418 -17.245 1.00 4.14 C ATOM 0 H ILE A 108 1.806 -7.396 -15.334 1.00 1.03 H new ATOM 0 HA ILE A 108 2.917 -9.459 -16.983 1.00 61.51 H new ATOM 0 HB ILE A 108 3.928 -7.663 -14.787 1.00 71.52 H new ATOM 0 HG12 ILE A 108 5.562 -7.032 -16.595 1.00 45.11 H new ATOM 0 HG13 ILE A 108 4.773 -8.165 -17.673 1.00 45.11 H new ATOM 0 HG21 ILE A 108 6.163 -8.692 -14.929 1.00 4.14 H new ATOM 0 HG22 ILE A 108 4.952 -9.812 -14.261 1.00 4.14 H new ATOM 0 HG23 ILE A 108 5.494 -9.989 -15.947 1.00 4.14 H new ATOM 0 HD11 ILE A 108 4.021 -5.877 -18.104 1.00 4.14 H new ATOM 0 HD12 ILE A 108 2.672 -6.875 -17.513 1.00 4.14 H new ATOM 0 HD13 ILE A 108 3.473 -5.724 -16.418 1.00 4.14 H new