USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 877 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 59 SER OG : rot -68:sc= 0.326 USER MOD Set 1.2: A 103 THR OG1 : rot -170:sc= 0.0368 USER MOD Set 2.1: A 45 MET CE :methyl 157:sc= -0.186 (180deg=-0.819) USER MOD Set 2.2: A 90 TYR OH : rot -99:sc= 1.28 USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= 0.177 USER MOD Set 3.2: A 18 THR OG1 : rot -60:sc= 0.177 USER MOD Set 4.1: A 9 GLN : amide:sc= 0.0266 X(o=0.053,f=0.0064) USER MOD Set 4.2: A 22 THR OG1 : rot 180:sc= 0.0268 USER MOD Single : A 4 LYS NZ :NH3+ -178:sc= 0.469 (180deg=0.466) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.266) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.23 K(o=-0.23,f=-1.1) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -107:sc= 0.0985 (180deg=-1.41) USER MOD Single : A 36 LYS NZ :NH3+ -169:sc= 0.145 (180deg=-0.0737) USER MOD Single : A 38 LYS NZ :NH3+ -162:sc= 0.599 (180deg=0.416) USER MOD Single : A 39 LYS NZ :NH3+ -109:sc= 1.2 (180deg=-0.0651) USER MOD Single : A 42 ASN : amide:sc= -0.536 K(o=-0.54,f=-4.6!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -150:sc= 0 (180deg=-1) USER MOD Single : A 64 HIS : no HE2:sc= -4.02! C(o=-4!,f=-3.7!) USER MOD Single : A 65 SER OG : rot -96:sc= 0.00424 USER MOD Single : A 71 LYS NZ :NH3+ 154:sc=-0.00514 (180deg=-0.114) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0444) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.591 K(o=-0.59,f=-2.1!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 83:sc= -0.122 USER MOD Single : A 107 GLN : amide:sc= 0.375 X(o=0.37,f=0) USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 4 15.588 -4.990 0.535 1.00 25.25 N ATOM 39 CA LYS A 4 15.372 -5.602 1.858 1.00 70.34 C ATOM 40 C LYS A 4 13.890 -5.986 1.987 1.00 71.15 C ATOM 41 O LYS A 4 13.070 -5.684 1.103 1.00 4.51 O ATOM 42 CB LYS A 4 15.829 -4.622 3.007 1.00 42.42 C ATOM 43 CG LYS A 4 17.091 -5.070 3.789 1.00 42.14 C ATOM 44 CD LYS A 4 18.360 -5.192 2.915 1.00 24.31 C ATOM 45 CE LYS A 4 18.839 -3.854 2.333 1.00 21.33 C ATOM 46 NZ LYS A 4 19.203 -2.872 3.390 1.00 32.30 N ATOM 0 HA LYS A 4 15.977 -6.503 1.956 1.00 70.34 H new ATOM 0 HB2 LYS A 4 16.019 -3.641 2.572 1.00 42.42 H new ATOM 0 HB3 LYS A 4 15.006 -4.504 3.712 1.00 42.42 H new ATOM 0 HG2 LYS A 4 17.281 -4.357 4.591 1.00 42.14 H new ATOM 0 HG3 LYS A 4 16.892 -6.033 4.259 1.00 42.14 H new ATOM 0 HD2 LYS A 4 19.162 -5.626 3.512 1.00 24.31 H new ATOM 0 HD3 LYS A 4 18.162 -5.884 2.097 1.00 24.31 H new ATOM 0 HE2 LYS A 4 19.702 -4.029 1.691 1.00 21.33 H new ATOM 0 HE3 LYS A 4 18.054 -3.433 1.705 1.00 21.33 H new ATOM 0 HZ1 LYS A 4 19.487 -1.975 2.947 1.00 32.30 H new ATOM 0 HZ2 LYS A 4 18.383 -2.708 4.009 1.00 32.30 H new ATOM 0 HZ3 LYS A 4 19.993 -3.246 3.954 1.00 32.30 H new ATOM 60 N LYS A 5 13.556 -6.673 3.083 1.00 33.31 N ATOM 61 CA LYS A 5 12.187 -7.099 3.359 1.00 4.04 C ATOM 62 C LYS A 5 11.462 -6.003 4.155 1.00 63.55 C ATOM 63 O LYS A 5 11.804 -5.731 5.317 1.00 23.14 O ATOM 64 CB LYS A 5 12.180 -8.446 4.129 1.00 75.14 C ATOM 65 CG LYS A 5 10.776 -9.081 4.296 1.00 42.53 C ATOM 66 CD LYS A 5 10.811 -10.426 5.059 1.00 21.13 C ATOM 67 CE LYS A 5 11.334 -10.283 6.502 1.00 63.34 C ATOM 68 NZ LYS A 5 11.305 -11.577 7.245 1.00 61.31 N ATOM 0 H LYS A 5 14.227 -6.947 3.800 1.00 33.31 H new ATOM 0 HA LYS A 5 11.661 -7.255 2.417 1.00 4.04 H new ATOM 0 HB2 LYS A 5 12.825 -9.152 3.607 1.00 75.14 H new ATOM 0 HB3 LYS A 5 12.614 -8.288 5.116 1.00 75.14 H new ATOM 0 HG2 LYS A 5 10.128 -8.384 4.828 1.00 42.53 H new ATOM 0 HG3 LYS A 5 10.335 -9.239 3.312 1.00 42.53 H new ATOM 0 HD2 LYS A 5 9.808 -10.851 5.082 1.00 21.13 H new ATOM 0 HD3 LYS A 5 11.443 -11.129 4.517 1.00 21.13 H new ATOM 0 HE2 LYS A 5 12.355 -9.902 6.480 1.00 63.34 H new ATOM 0 HE3 LYS A 5 10.730 -9.547 7.034 1.00 63.34 H new ATOM 0 HZ1 LYS A 5 11.665 -11.432 8.210 1.00 61.31 H new ATOM 0 HZ2 LYS A 5 10.328 -11.930 7.290 1.00 61.31 H new ATOM 0 HZ3 LYS A 5 11.902 -12.273 6.754 1.00 61.31 H new ATOM 82 N VAL A 6 10.478 -5.368 3.514 1.00 74.21 N ATOM 83 CA VAL A 6 9.592 -4.379 4.152 1.00 55.12 C ATOM 84 C VAL A 6 8.290 -5.090 4.535 1.00 12.24 C ATOM 85 O VAL A 6 7.824 -5.972 3.810 1.00 23.51 O ATOM 86 CB VAL A 6 9.281 -3.145 3.202 1.00 33.45 C ATOM 87 CG1 VAL A 6 8.750 -3.593 1.819 1.00 3.21 C ATOM 88 CG2 VAL A 6 8.295 -2.153 3.870 1.00 61.14 C ATOM 0 H VAL A 6 10.268 -5.524 2.528 1.00 74.21 H new ATOM 0 HA VAL A 6 10.092 -3.975 5.032 1.00 55.12 H new ATOM 0 HB VAL A 6 10.227 -2.630 3.038 1.00 33.45 H new ATOM 0 HG11 VAL A 6 8.551 -2.715 1.204 1.00 3.21 H new ATOM 0 HG12 VAL A 6 9.495 -4.219 1.328 1.00 3.21 H new ATOM 0 HG13 VAL A 6 7.829 -4.161 1.949 1.00 3.21 H new ATOM 0 HG21 VAL A 6 8.103 -1.320 3.194 1.00 61.14 H new ATOM 0 HG22 VAL A 6 7.358 -2.664 4.091 1.00 61.14 H new ATOM 0 HG23 VAL A 6 8.730 -1.776 4.796 1.00 61.14 H new ATOM 98 N GLU A 7 7.714 -4.722 5.686 1.00 42.41 N ATOM 99 CA GLU A 7 6.429 -5.266 6.125 1.00 11.11 C ATOM 100 C GLU A 7 5.376 -4.177 5.918 1.00 12.42 C ATOM 101 O GLU A 7 5.364 -3.144 6.594 1.00 22.45 O ATOM 102 CB GLU A 7 6.518 -5.756 7.592 1.00 51.32 C ATOM 103 CG GLU A 7 7.497 -6.935 7.775 1.00 12.32 C ATOM 104 CD GLU A 7 7.606 -7.434 9.222 1.00 71.24 C ATOM 105 OE1 GLU A 7 6.723 -8.201 9.669 1.00 5.10 O ATOM 106 OE2 GLU A 7 8.574 -7.071 9.920 1.00 73.14 O ATOM 0 H GLU A 7 8.123 -4.046 6.331 1.00 42.41 H new ATOM 0 HA GLU A 7 6.147 -6.142 5.541 1.00 11.11 H new ATOM 0 HB2 GLU A 7 6.832 -4.928 8.228 1.00 51.32 H new ATOM 0 HB3 GLU A 7 5.527 -6.058 7.929 1.00 51.32 H new ATOM 0 HG2 GLU A 7 7.178 -7.761 7.139 1.00 12.32 H new ATOM 0 HG3 GLU A 7 8.485 -6.631 7.431 1.00 12.32 H new ATOM 113 N VAL A 8 4.514 -4.428 4.941 1.00 70.43 N ATOM 114 CA VAL A 8 3.504 -3.494 4.463 1.00 42.01 C ATOM 115 C VAL A 8 2.160 -3.854 5.103 1.00 11.24 C ATOM 116 O VAL A 8 1.621 -4.928 4.847 1.00 42.43 O ATOM 117 CB VAL A 8 3.440 -3.547 2.890 1.00 43.20 C ATOM 118 CG1 VAL A 8 2.275 -2.709 2.319 1.00 65.31 C ATOM 119 CG2 VAL A 8 4.799 -3.092 2.286 1.00 41.53 C ATOM 0 H VAL A 8 4.499 -5.318 4.443 1.00 70.43 H new ATOM 0 HA VAL A 8 3.756 -2.472 4.747 1.00 42.01 H new ATOM 0 HB VAL A 8 3.249 -4.581 2.604 1.00 43.20 H new ATOM 0 HG11 VAL A 8 2.275 -2.779 1.231 1.00 65.31 H new ATOM 0 HG12 VAL A 8 1.330 -3.088 2.707 1.00 65.31 H new ATOM 0 HG13 VAL A 8 2.397 -1.667 2.615 1.00 65.31 H new ATOM 0 HG21 VAL A 8 4.745 -3.132 1.198 1.00 41.53 H new ATOM 0 HG22 VAL A 8 5.014 -2.071 2.601 1.00 41.53 H new ATOM 0 HG23 VAL A 8 5.592 -3.754 2.635 1.00 41.53 H new ATOM 129 N GLN A 9 1.648 -2.966 5.967 1.00 32.44 N ATOM 130 CA GLN A 9 0.413 -3.202 6.722 1.00 24.05 C ATOM 131 C GLN A 9 -0.709 -2.378 6.090 1.00 21.31 C ATOM 132 O GLN A 9 -0.812 -1.174 6.329 1.00 52.10 O ATOM 133 CB GLN A 9 0.620 -2.811 8.209 1.00 23.45 C ATOM 134 CG GLN A 9 1.795 -3.533 8.892 1.00 25.10 C ATOM 135 CD GLN A 9 1.957 -3.153 10.358 1.00 22.12 C ATOM 136 OE1 GLN A 9 2.656 -2.196 10.693 1.00 12.44 O ATOM 137 NE2 GLN A 9 1.310 -3.891 11.245 1.00 22.41 N ATOM 0 H GLN A 9 2.081 -2.063 6.161 1.00 32.44 H new ATOM 0 HA GLN A 9 0.145 -4.258 6.688 1.00 24.05 H new ATOM 0 HB2 GLN A 9 0.783 -1.735 8.271 1.00 23.45 H new ATOM 0 HB3 GLN A 9 -0.295 -3.027 8.761 1.00 23.45 H new ATOM 0 HG2 GLN A 9 1.646 -4.610 8.816 1.00 25.10 H new ATOM 0 HG3 GLN A 9 2.717 -3.301 8.358 1.00 25.10 H new ATOM 0 HE21 GLN A 9 0.739 -4.677 10.935 1.00 22.41 H new ATOM 0 HE22 GLN A 9 1.382 -3.674 12.239 1.00 22.41 H new ATOM 146 N VAL A 10 -1.537 -3.036 5.275 1.00 10.04 N ATOM 147 CA VAL A 10 -2.643 -2.387 4.558 1.00 20.24 C ATOM 148 C VAL A 10 -3.923 -2.557 5.379 1.00 20.31 C ATOM 149 O VAL A 10 -4.456 -3.664 5.494 1.00 34.23 O ATOM 150 CB VAL A 10 -2.794 -2.974 3.106 1.00 63.25 C ATOM 151 CG1 VAL A 10 -4.057 -2.438 2.385 1.00 32.53 C ATOM 152 CG2 VAL A 10 -1.519 -2.666 2.282 1.00 13.25 C ATOM 0 H VAL A 10 -1.461 -4.037 5.092 1.00 10.04 H new ATOM 0 HA VAL A 10 -2.437 -1.323 4.441 1.00 20.24 H new ATOM 0 HB VAL A 10 -2.917 -4.054 3.193 1.00 63.25 H new ATOM 0 HG11 VAL A 10 -4.118 -2.872 1.387 1.00 32.53 H new ATOM 0 HG12 VAL A 10 -4.945 -2.712 2.954 1.00 32.53 H new ATOM 0 HG13 VAL A 10 -3.998 -1.352 2.306 1.00 32.53 H new ATOM 0 HG21 VAL A 10 -1.628 -3.074 1.277 1.00 13.25 H new ATOM 0 HG22 VAL A 10 -1.376 -1.587 2.222 1.00 13.25 H new ATOM 0 HG23 VAL A 10 -0.654 -3.120 2.766 1.00 13.25 H new ATOM 162 N LYS A 11 -4.376 -1.445 5.967 1.00 3.40 N ATOM 163 CA LYS A 11 -5.510 -1.417 6.892 1.00 31.22 C ATOM 164 C LYS A 11 -6.692 -0.711 6.212 1.00 12.44 C ATOM 165 O LYS A 11 -6.666 0.506 6.037 1.00 74.40 O ATOM 166 CB LYS A 11 -5.094 -0.667 8.186 1.00 51.22 C ATOM 167 CG LYS A 11 -6.192 -0.630 9.268 1.00 61.30 C ATOM 168 CD LYS A 11 -5.847 0.276 10.471 1.00 4.14 C ATOM 169 CE LYS A 11 -5.672 1.750 10.072 1.00 24.41 C ATOM 170 NZ LYS A 11 -5.547 2.641 11.256 1.00 32.44 N ATOM 0 H LYS A 11 -3.959 -0.528 5.811 1.00 3.40 H new ATOM 0 HA LYS A 11 -5.810 -2.431 7.157 1.00 31.22 H new ATOM 0 HB2 LYS A 11 -4.205 -1.143 8.600 1.00 51.22 H new ATOM 0 HB3 LYS A 11 -4.817 0.355 7.928 1.00 51.22 H new ATOM 0 HG2 LYS A 11 -7.122 -0.283 8.818 1.00 61.30 H new ATOM 0 HG3 LYS A 11 -6.370 -1.644 9.627 1.00 61.30 H new ATOM 0 HD2 LYS A 11 -6.637 0.197 11.218 1.00 4.14 H new ATOM 0 HD3 LYS A 11 -4.929 -0.081 10.938 1.00 4.14 H new ATOM 0 HE2 LYS A 11 -4.785 1.853 9.447 1.00 24.41 H new ATOM 0 HE3 LYS A 11 -6.524 2.065 9.470 1.00 24.41 H new ATOM 0 HZ1 LYS A 11 -5.119 3.544 10.967 1.00 32.44 H new ATOM 0 HZ2 LYS A 11 -6.490 2.818 11.658 1.00 32.44 H new ATOM 0 HZ3 LYS A 11 -4.945 2.185 11.971 1.00 32.44 H new ATOM 184 N ILE A 12 -7.716 -1.477 5.822 1.00 13.34 N ATOM 185 CA ILE A 12 -8.890 -0.947 5.102 1.00 63.10 C ATOM 186 C ILE A 12 -10.183 -1.287 5.872 1.00 31.04 C ATOM 187 O ILE A 12 -10.511 -2.457 6.071 1.00 41.14 O ATOM 188 CB ILE A 12 -8.931 -1.480 3.613 1.00 32.33 C ATOM 189 CG1 ILE A 12 -10.168 -0.922 2.848 1.00 75.01 C ATOM 190 CG2 ILE A 12 -8.879 -3.028 3.540 1.00 44.32 C ATOM 191 CD1 ILE A 12 -10.199 -1.263 1.368 1.00 70.51 C ATOM 0 H ILE A 12 -7.759 -2.481 5.994 1.00 13.34 H new ATOM 0 HA ILE A 12 -8.809 0.139 5.048 1.00 63.10 H new ATOM 0 HB ILE A 12 -8.032 -1.109 3.120 1.00 32.33 H new ATOM 0 HG12 ILE A 12 -11.073 -1.308 3.316 1.00 75.01 H new ATOM 0 HG13 ILE A 12 -10.189 0.162 2.959 1.00 75.01 H new ATOM 0 HG21 ILE A 12 -8.910 -3.344 2.497 1.00 44.32 H new ATOM 0 HG22 ILE A 12 -7.957 -3.383 4.000 1.00 44.32 H new ATOM 0 HG23 ILE A 12 -9.734 -3.446 4.071 1.00 44.32 H new ATOM 0 HD11 ILE A 12 -11.093 -0.835 0.915 1.00 70.51 H new ATOM 0 HD12 ILE A 12 -9.314 -0.853 0.882 1.00 70.51 H new ATOM 0 HD13 ILE A 12 -10.212 -2.346 1.244 1.00 70.51 H new ATOM 203 N THR A 13 -10.897 -0.250 6.342 1.00 72.00 N ATOM 204 CA THR A 13 -12.161 -0.421 7.072 1.00 22.34 C ATOM 205 C THR A 13 -13.346 -0.313 6.087 1.00 34.04 C ATOM 206 O THR A 13 -13.471 0.679 5.361 1.00 45.21 O ATOM 207 CB THR A 13 -12.287 0.618 8.229 1.00 1.04 C ATOM 208 OG1 THR A 13 -11.187 0.434 9.137 1.00 34.11 O ATOM 209 CG2 THR A 13 -13.615 0.489 9.015 1.00 54.24 C ATOM 0 H THR A 13 -10.615 0.723 6.227 1.00 72.00 H new ATOM 0 HA THR A 13 -12.175 -1.411 7.528 1.00 22.34 H new ATOM 0 HB THR A 13 -12.273 1.611 7.779 1.00 1.04 H new ATOM 0 HG1 THR A 13 -11.254 1.083 9.868 1.00 34.11 H new ATOM 0 HG21 THR A 13 -13.644 1.238 9.806 1.00 54.24 H new ATOM 0 HG22 THR A 13 -14.455 0.644 8.338 1.00 54.24 H new ATOM 0 HG23 THR A 13 -13.682 -0.506 9.455 1.00 54.24 H new ATOM 217 N CYS A 14 -14.185 -1.362 6.074 1.00 52.12 N ATOM 218 CA CYS A 14 -15.355 -1.487 5.188 1.00 21.45 C ATOM 219 C CYS A 14 -16.431 -2.340 5.889 1.00 21.41 C ATOM 220 O CYS A 14 -16.091 -3.184 6.734 1.00 2.42 O ATOM 221 CB CYS A 14 -14.922 -2.127 3.849 1.00 12.22 C ATOM 222 SG CYS A 14 -16.233 -2.295 2.584 1.00 30.34 S ATOM 0 H CYS A 14 -14.066 -2.164 6.693 1.00 52.12 H new ATOM 0 HA CYS A 14 -15.775 -0.504 4.976 1.00 21.45 H new ATOM 0 HB2 CYS A 14 -14.112 -1.531 3.428 1.00 12.22 H new ATOM 0 HB3 CYS A 14 -14.515 -3.117 4.056 1.00 12.22 H new ATOM 227 N ASN A 15 -17.720 -2.086 5.547 1.00 74.30 N ATOM 228 CA ASN A 15 -18.903 -2.742 6.153 1.00 31.42 C ATOM 229 C ASN A 15 -19.080 -2.259 7.612 1.00 74.55 C ATOM 230 O ASN A 15 -19.904 -1.375 7.896 1.00 45.11 O ATOM 231 CB ASN A 15 -18.827 -4.308 6.028 1.00 13.03 C ATOM 232 CG ASN A 15 -20.000 -5.059 6.684 1.00 61.14 C ATOM 233 OD1 ASN A 15 -21.135 -4.580 6.715 1.00 42.30 O ATOM 234 ND2 ASN A 15 -19.734 -6.247 7.208 1.00 5.22 N ATOM 0 H ASN A 15 -17.969 -1.406 4.828 1.00 74.30 H new ATOM 0 HA ASN A 15 -19.795 -2.449 5.599 1.00 31.42 H new ATOM 0 HB2 ASN A 15 -18.787 -4.574 4.972 1.00 13.03 H new ATOM 0 HB3 ASN A 15 -17.895 -4.651 6.478 1.00 13.03 H new ATOM 0 HD21 ASN A 15 -20.478 -6.787 7.650 1.00 5.22 H new ATOM 0 HD22 ASN A 15 -18.786 -6.621 7.169 1.00 5.22 H new ATOM 241 N GLY A 16 -18.266 -2.820 8.504 1.00 4.05 N ATOM 242 CA GLY A 16 -18.198 -2.406 9.905 1.00 44.45 C ATOM 243 C GLY A 16 -16.955 -2.956 10.583 1.00 44.11 C ATOM 244 O GLY A 16 -16.832 -2.886 11.809 1.00 51.11 O ATOM 0 H GLY A 16 -17.629 -3.582 8.273 1.00 4.05 H new ATOM 0 HA2 GLY A 16 -18.196 -1.318 9.965 1.00 44.45 H new ATOM 0 HA3 GLY A 16 -19.086 -2.753 10.433 1.00 44.45 H new ATOM 248 N LYS A 17 -16.023 -3.499 9.769 1.00 33.31 N ATOM 249 CA LYS A 17 -14.822 -4.209 10.242 1.00 45.43 C ATOM 250 C LYS A 17 -13.555 -3.555 9.676 1.00 50.51 C ATOM 251 O LYS A 17 -13.596 -2.907 8.628 1.00 74.20 O ATOM 252 CB LYS A 17 -14.866 -5.694 9.790 1.00 53.24 C ATOM 253 CG LYS A 17 -16.075 -6.501 10.304 1.00 45.35 C ATOM 254 CD LYS A 17 -16.074 -7.967 9.808 1.00 15.22 C ATOM 255 CE LYS A 17 -14.837 -8.758 10.279 1.00 42.44 C ATOM 256 NZ LYS A 17 -14.839 -10.155 9.775 1.00 55.52 N ATOM 0 H LYS A 17 -16.088 -3.454 8.752 1.00 33.31 H new ATOM 0 HA LYS A 17 -14.802 -4.156 11.331 1.00 45.43 H new ATOM 0 HB2 LYS A 17 -14.865 -5.726 8.700 1.00 53.24 H new ATOM 0 HB3 LYS A 17 -13.953 -6.186 10.124 1.00 53.24 H new ATOM 0 HG2 LYS A 17 -16.075 -6.491 11.394 1.00 45.35 H new ATOM 0 HG3 LYS A 17 -16.995 -6.014 9.981 1.00 45.35 H new ATOM 0 HD2 LYS A 17 -16.975 -8.466 10.163 1.00 15.22 H new ATOM 0 HD3 LYS A 17 -16.112 -7.977 8.719 1.00 15.22 H new ATOM 0 HE2 LYS A 17 -13.933 -8.252 9.939 1.00 42.44 H new ATOM 0 HE3 LYS A 17 -14.807 -8.767 11.369 1.00 42.44 H new ATOM 0 HZ1 LYS A 17 -13.990 -10.648 10.116 1.00 55.52 H new ATOM 0 HZ2 LYS A 17 -15.688 -10.647 10.120 1.00 55.52 H new ATOM 0 HZ3 LYS A 17 -14.841 -10.149 8.735 1.00 55.52 H new ATOM 270 N THR A 18 -12.435 -3.768 10.373 1.00 13.03 N ATOM 271 CA THR A 18 -11.102 -3.322 9.953 1.00 21.35 C ATOM 272 C THR A 18 -10.318 -4.532 9.397 1.00 32.13 C ATOM 273 O THR A 18 -9.981 -5.457 10.145 1.00 20.10 O ATOM 274 CB THR A 18 -10.352 -2.669 11.165 1.00 25.30 C ATOM 275 OG1 THR A 18 -11.086 -1.515 11.603 1.00 62.23 O ATOM 276 CG2 THR A 18 -8.914 -2.250 10.825 1.00 10.03 C ATOM 0 H THR A 18 -12.429 -4.265 11.263 1.00 13.03 H new ATOM 0 HA THR A 18 -11.188 -2.570 9.169 1.00 21.35 H new ATOM 0 HB THR A 18 -10.291 -3.421 11.951 1.00 25.30 H new ATOM 0 HG1 THR A 18 -11.148 -0.869 10.869 1.00 62.23 H new ATOM 0 HG21 THR A 18 -8.447 -1.805 11.704 1.00 10.03 H new ATOM 0 HG22 THR A 18 -8.343 -3.126 10.516 1.00 10.03 H new ATOM 0 HG23 THR A 18 -8.929 -1.522 10.014 1.00 10.03 H new ATOM 284 N TYR A 19 -10.056 -4.520 8.080 1.00 33.33 N ATOM 285 CA TYR A 19 -9.375 -5.622 7.374 1.00 40.41 C ATOM 286 C TYR A 19 -7.909 -5.226 7.177 1.00 5.54 C ATOM 287 O TYR A 19 -7.586 -4.423 6.296 1.00 1.35 O ATOM 288 CB TYR A 19 -10.053 -5.900 5.999 1.00 1.44 C ATOM 289 CG TYR A 19 -11.569 -6.135 6.092 1.00 22.32 C ATOM 290 CD1 TYR A 19 -12.467 -5.067 6.012 1.00 41.01 C ATOM 291 CD2 TYR A 19 -12.100 -7.415 6.273 1.00 33.01 C ATOM 292 CE1 TYR A 19 -13.822 -5.262 6.108 1.00 12.03 C ATOM 293 CE2 TYR A 19 -13.466 -7.610 6.377 1.00 71.25 C ATOM 294 CZ TYR A 19 -14.320 -6.529 6.292 1.00 2.02 C ATOM 295 OH TYR A 19 -15.685 -6.716 6.413 1.00 1.44 O ATOM 0 H TYR A 19 -10.311 -3.743 7.471 1.00 33.33 H new ATOM 0 HA TYR A 19 -9.442 -6.537 7.963 1.00 40.41 H new ATOM 0 HB2 TYR A 19 -9.865 -5.056 5.335 1.00 1.44 H new ATOM 0 HB3 TYR A 19 -9.586 -6.774 5.544 1.00 1.44 H new ATOM 0 HD1 TYR A 19 -12.086 -4.066 5.872 1.00 41.01 H new ATOM 0 HD2 TYR A 19 -11.435 -8.264 6.333 1.00 33.01 H new ATOM 0 HE1 TYR A 19 -14.496 -4.421 6.039 1.00 12.03 H new ATOM 0 HE2 TYR A 19 -13.862 -8.604 6.524 1.00 71.25 H new ATOM 0 HH TYR A 19 -15.875 -7.669 6.537 1.00 1.44 H new ATOM 305 N GLU A 20 -7.034 -5.768 8.026 1.00 3.11 N ATOM 306 CA GLU A 20 -5.600 -5.452 8.016 1.00 60.40 C ATOM 307 C GLU A 20 -4.765 -6.728 8.119 1.00 44.43 C ATOM 308 O GLU A 20 -5.245 -7.762 8.604 1.00 4.43 O ATOM 309 CB GLU A 20 -5.263 -4.434 9.150 1.00 34.43 C ATOM 310 CG GLU A 20 -5.856 -4.730 10.556 1.00 25.24 C ATOM 311 CD GLU A 20 -5.245 -5.950 11.267 1.00 44.34 C ATOM 312 OE1 GLU A 20 -4.027 -5.925 11.562 1.00 74.31 O ATOM 313 OE2 GLU A 20 -5.957 -6.951 11.508 1.00 53.02 O ATOM 0 H GLU A 20 -7.299 -6.442 8.744 1.00 3.11 H new ATOM 0 HA GLU A 20 -5.346 -4.980 7.067 1.00 60.40 H new ATOM 0 HB2 GLU A 20 -4.179 -4.377 9.244 1.00 34.43 H new ATOM 0 HB3 GLU A 20 -5.608 -3.449 8.836 1.00 34.43 H new ATOM 0 HG2 GLU A 20 -5.717 -3.852 11.186 1.00 25.24 H new ATOM 0 HG3 GLU A 20 -6.930 -4.884 10.457 1.00 25.24 H new ATOM 320 N ARG A 21 -3.528 -6.641 7.637 1.00 63.41 N ATOM 321 CA ARG A 21 -2.549 -7.724 7.727 1.00 71.02 C ATOM 322 C ARG A 21 -1.147 -7.139 7.552 1.00 53.15 C ATOM 323 O ARG A 21 -0.968 -6.155 6.824 1.00 52.21 O ATOM 324 CB ARG A 21 -2.810 -8.807 6.648 1.00 40.54 C ATOM 325 CG ARG A 21 -1.986 -10.107 6.815 1.00 22.33 C ATOM 326 CD ARG A 21 -2.047 -11.029 5.590 1.00 73.50 C ATOM 327 NE ARG A 21 -3.423 -11.209 5.086 1.00 62.42 N ATOM 328 CZ ARG A 21 -3.742 -11.729 3.888 1.00 53.31 C ATOM 329 NH1 ARG A 21 -2.799 -12.153 3.055 1.00 40.01 N ATOM 330 NH2 ARG A 21 -5.011 -11.801 3.527 1.00 33.41 N ATOM 0 H ARG A 21 -3.172 -5.808 7.168 1.00 63.41 H new ATOM 0 HA ARG A 21 -2.638 -8.200 8.704 1.00 71.02 H new ATOM 0 HB2 ARG A 21 -3.870 -9.062 6.659 1.00 40.54 H new ATOM 0 HB3 ARG A 21 -2.595 -8.381 5.668 1.00 40.54 H new ATOM 0 HG2 ARG A 21 -0.946 -9.846 7.013 1.00 22.33 H new ATOM 0 HG3 ARG A 21 -2.350 -10.650 7.687 1.00 22.33 H new ATOM 0 HD2 ARG A 21 -1.424 -10.616 4.797 1.00 73.50 H new ATOM 0 HD3 ARG A 21 -1.629 -12.001 5.850 1.00 73.50 H new ATOM 0 HE ARG A 21 -4.189 -10.917 5.692 1.00 62.42 H new ATOM 0 HH11 ARG A 21 -1.816 -12.087 3.321 1.00 40.01 H new ATOM 0 HH12 ARG A 21 -3.057 -12.545 2.149 1.00 40.01 H new ATOM 0 HH21 ARG A 21 -5.740 -11.463 4.156 1.00 33.41 H new ATOM 0 HH22 ARG A 21 -5.262 -12.194 2.620 1.00 33.41 H new ATOM 344 N THR A 22 -0.169 -7.733 8.234 1.00 31.11 N ATOM 345 CA THR A 22 1.242 -7.418 8.044 1.00 21.04 C ATOM 346 C THR A 22 1.797 -8.334 6.930 1.00 64.14 C ATOM 347 O THR A 22 1.974 -9.540 7.142 1.00 4.44 O ATOM 348 CB THR A 22 2.017 -7.606 9.388 1.00 15.13 C ATOM 349 OG1 THR A 22 1.361 -6.846 10.426 1.00 3.11 O ATOM 350 CG2 THR A 22 3.488 -7.161 9.279 1.00 42.23 C ATOM 0 H THR A 22 -0.337 -8.451 8.939 1.00 31.11 H new ATOM 0 HA THR A 22 1.368 -6.378 7.742 1.00 21.04 H new ATOM 0 HB THR A 22 2.012 -8.669 9.629 1.00 15.13 H new ATOM 0 HG1 THR A 22 1.843 -6.962 11.271 1.00 3.11 H new ATOM 0 HG21 THR A 22 3.985 -7.311 10.237 1.00 42.23 H new ATOM 0 HG22 THR A 22 3.991 -7.751 8.513 1.00 42.23 H new ATOM 0 HG23 THR A 22 3.530 -6.106 9.009 1.00 42.23 H new ATOM 358 N TYR A 23 2.023 -7.758 5.735 1.00 55.54 N ATOM 359 CA TYR A 23 2.490 -8.494 4.544 1.00 62.35 C ATOM 360 C TYR A 23 4.014 -8.362 4.446 1.00 1.03 C ATOM 361 O TYR A 23 4.528 -7.250 4.320 1.00 5.11 O ATOM 362 CB TYR A 23 1.841 -7.917 3.248 1.00 61.01 C ATOM 363 CG TYR A 23 0.297 -7.962 3.200 1.00 60.42 C ATOM 364 CD1 TYR A 23 -0.479 -6.946 3.764 1.00 34.04 C ATOM 365 CD2 TYR A 23 -0.377 -9.006 2.563 1.00 13.22 C ATOM 366 CE1 TYR A 23 -1.858 -6.971 3.703 1.00 51.35 C ATOM 367 CE2 TYR A 23 -1.760 -9.036 2.504 1.00 34.13 C ATOM 368 CZ TYR A 23 -2.495 -8.016 3.070 1.00 64.01 C ATOM 369 OH TYR A 23 -3.874 -8.047 3.014 1.00 31.22 O ATOM 0 H TYR A 23 1.886 -6.761 5.567 1.00 55.54 H new ATOM 0 HA TYR A 23 2.203 -9.541 4.640 1.00 62.35 H new ATOM 0 HB2 TYR A 23 2.161 -6.881 3.133 1.00 61.01 H new ATOM 0 HB3 TYR A 23 2.230 -8.468 2.392 1.00 61.01 H new ATOM 0 HD1 TYR A 23 0.012 -6.121 4.260 1.00 34.04 H new ATOM 0 HD2 TYR A 23 0.191 -9.804 2.108 1.00 13.22 H new ATOM 0 HE1 TYR A 23 -2.435 -6.175 4.150 1.00 51.35 H new ATOM 0 HE2 TYR A 23 -2.263 -9.858 2.015 1.00 34.13 H new ATOM 0 HH TYR A 23 -4.164 -8.850 2.532 1.00 31.22 H new ATOM 379 N GLN A 24 4.731 -9.493 4.487 1.00 64.51 N ATOM 380 CA GLN A 24 6.202 -9.496 4.409 1.00 71.24 C ATOM 381 C GLN A 24 6.598 -9.553 2.927 1.00 1.22 C ATOM 382 O GLN A 24 6.428 -10.585 2.267 1.00 43.34 O ATOM 383 CB GLN A 24 6.820 -10.684 5.204 1.00 22.54 C ATOM 384 CG GLN A 24 6.615 -10.632 6.742 1.00 75.10 C ATOM 385 CD GLN A 24 5.165 -10.851 7.202 1.00 50.33 C ATOM 386 OE1 GLN A 24 4.404 -11.601 6.588 1.00 63.32 O ATOM 387 NE2 GLN A 24 4.768 -10.203 8.285 1.00 53.24 N ATOM 0 H GLN A 24 4.317 -10.421 4.574 1.00 64.51 H new ATOM 0 HA GLN A 24 6.593 -8.587 4.867 1.00 71.24 H new ATOM 0 HB2 GLN A 24 6.391 -11.613 4.828 1.00 22.54 H new ATOM 0 HB3 GLN A 24 7.890 -10.720 4.998 1.00 22.54 H new ATOM 0 HG2 GLN A 24 7.248 -11.389 7.205 1.00 75.10 H new ATOM 0 HG3 GLN A 24 6.956 -9.664 7.108 1.00 75.10 H new ATOM 0 HE21 GLN A 24 5.416 -9.587 8.777 1.00 53.24 H new ATOM 0 HE22 GLN A 24 3.814 -10.319 8.628 1.00 53.24 H new ATOM 396 N LEU A 25 7.110 -8.429 2.412 1.00 43.24 N ATOM 397 CA LEU A 25 7.447 -8.262 0.994 1.00 32.54 C ATOM 398 C LEU A 25 8.962 -8.073 0.855 1.00 12.33 C ATOM 399 O LEU A 25 9.488 -6.990 1.128 1.00 42.12 O ATOM 400 CB LEU A 25 6.672 -7.044 0.395 1.00 40.42 C ATOM 401 CG LEU A 25 5.109 -7.093 0.494 1.00 52.34 C ATOM 402 CD1 LEU A 25 4.458 -5.863 -0.164 1.00 74.34 C ATOM 403 CD2 LEU A 25 4.539 -8.399 -0.098 1.00 45.32 C ATOM 0 H LEU A 25 7.304 -7.601 2.975 1.00 43.24 H new ATOM 0 HA LEU A 25 7.151 -9.152 0.438 1.00 32.54 H new ATOM 0 HB2 LEU A 25 7.017 -6.140 0.896 1.00 40.42 H new ATOM 0 HB3 LEU A 25 6.945 -6.950 -0.656 1.00 40.42 H new ATOM 0 HG LEU A 25 4.860 -7.073 1.555 1.00 52.34 H new ATOM 0 HD11 LEU A 25 3.374 -5.934 -0.075 1.00 74.34 H new ATOM 0 HD12 LEU A 25 4.805 -4.958 0.334 1.00 74.34 H new ATOM 0 HD13 LEU A 25 4.734 -5.826 -1.218 1.00 74.34 H new ATOM 0 HD21 LEU A 25 3.453 -8.394 -0.010 1.00 45.32 H new ATOM 0 HD22 LEU A 25 4.818 -8.474 -1.149 1.00 45.32 H new ATOM 0 HD23 LEU A 25 4.943 -9.252 0.447 1.00 45.32 H new ATOM 415 N TYR A 26 9.665 -9.157 0.496 1.00 33.33 N ATOM 416 CA TYR A 26 11.098 -9.114 0.166 1.00 1.23 C ATOM 417 C TYR A 26 11.254 -8.955 -1.345 1.00 62.11 C ATOM 418 O TYR A 26 10.609 -9.673 -2.114 1.00 50.23 O ATOM 419 CB TYR A 26 11.835 -10.403 0.638 1.00 71.13 C ATOM 420 CG TYR A 26 13.354 -10.371 0.344 1.00 75.14 C ATOM 421 CD1 TYR A 26 14.209 -9.606 1.137 1.00 31.12 C ATOM 422 CD2 TYR A 26 13.919 -11.066 -0.735 1.00 44.50 C ATOM 423 CE1 TYR A 26 15.557 -9.531 0.875 1.00 50.35 C ATOM 424 CE2 TYR A 26 15.280 -10.995 -0.994 1.00 12.20 C ATOM 425 CZ TYR A 26 16.090 -10.223 -0.185 1.00 51.05 C ATOM 426 OH TYR A 26 17.445 -10.138 -0.438 1.00 73.43 O ATOM 0 H TYR A 26 9.256 -10.089 0.426 1.00 33.33 H new ATOM 0 HA TYR A 26 11.547 -8.268 0.686 1.00 1.23 H new ATOM 0 HB2 TYR A 26 11.680 -10.532 1.709 1.00 71.13 H new ATOM 0 HB3 TYR A 26 11.393 -11.269 0.145 1.00 71.13 H new ATOM 0 HD1 TYR A 26 13.803 -9.060 1.976 1.00 31.12 H new ATOM 0 HD2 TYR A 26 13.286 -11.665 -1.373 1.00 44.50 H new ATOM 0 HE1 TYR A 26 16.196 -8.928 1.503 1.00 50.35 H new ATOM 0 HE2 TYR A 26 15.704 -11.541 -1.824 1.00 12.20 H new ATOM 0 HH TYR A 26 17.667 -10.685 -1.220 1.00 73.43 H new ATOM 436 N ALA A 27 12.129 -8.037 -1.755 1.00 73.44 N ATOM 437 CA ALA A 27 12.469 -7.815 -3.167 1.00 62.54 C ATOM 438 C ALA A 27 13.988 -7.794 -3.333 1.00 32.30 C ATOM 439 O ALA A 27 14.730 -7.826 -2.346 1.00 34.55 O ATOM 440 CB ALA A 27 11.848 -6.506 -3.664 1.00 11.13 C ATOM 0 H ALA A 27 12.628 -7.420 -1.114 1.00 73.44 H new ATOM 0 HA ALA A 27 12.063 -8.630 -3.767 1.00 62.54 H new ATOM 0 HB1 ALA A 27 12.108 -6.355 -4.712 1.00 11.13 H new ATOM 0 HB2 ALA A 27 10.764 -6.556 -3.563 1.00 11.13 H new ATOM 0 HB3 ALA A 27 12.229 -5.674 -3.072 1.00 11.13 H new ATOM 446 N VAL A 28 14.443 -7.770 -4.593 1.00 50.31 N ATOM 447 CA VAL A 28 15.865 -7.586 -4.930 1.00 74.41 C ATOM 448 C VAL A 28 16.130 -6.095 -5.230 1.00 54.45 C ATOM 449 O VAL A 28 17.215 -5.572 -4.955 1.00 50.51 O ATOM 450 CB VAL A 28 16.289 -8.481 -6.158 1.00 11.44 C ATOM 451 CG1 VAL A 28 17.818 -8.412 -6.412 1.00 23.33 C ATOM 452 CG2 VAL A 28 15.822 -9.949 -5.967 1.00 33.40 C ATOM 0 H VAL A 28 13.839 -7.877 -5.408 1.00 50.31 H new ATOM 0 HA VAL A 28 16.467 -7.900 -4.077 1.00 74.41 H new ATOM 0 HB VAL A 28 15.791 -8.081 -7.041 1.00 11.44 H new ATOM 0 HG11 VAL A 28 18.074 -9.041 -7.265 1.00 23.33 H new ATOM 0 HG12 VAL A 28 18.106 -7.382 -6.621 1.00 23.33 H new ATOM 0 HG13 VAL A 28 18.350 -8.765 -5.529 1.00 23.33 H new ATOM 0 HG21 VAL A 28 16.128 -10.543 -6.828 1.00 33.40 H new ATOM 0 HG22 VAL A 28 16.274 -10.360 -5.064 1.00 33.40 H new ATOM 0 HG23 VAL A 28 14.736 -9.976 -5.874 1.00 33.40 H new ATOM 462 N ARG A 29 15.108 -5.413 -5.792 1.00 64.43 N ATOM 463 CA ARG A 29 15.167 -3.973 -6.140 1.00 23.00 C ATOM 464 C ARG A 29 13.894 -3.264 -5.619 1.00 14.34 C ATOM 465 O ARG A 29 12.919 -3.922 -5.239 1.00 63.31 O ATOM 466 CB ARG A 29 15.264 -3.786 -7.690 1.00 24.43 C ATOM 467 CG ARG A 29 16.168 -4.797 -8.440 1.00 60.24 C ATOM 468 CD ARG A 29 16.043 -4.694 -9.975 1.00 61.11 C ATOM 469 NE ARG A 29 16.534 -5.907 -10.653 1.00 13.44 N ATOM 470 CZ ARG A 29 16.199 -6.281 -11.900 1.00 23.42 C ATOM 471 NH1 ARG A 29 15.364 -5.549 -12.636 1.00 4.15 N ATOM 472 NH2 ARG A 29 16.675 -7.418 -12.384 1.00 32.43 N ATOM 0 H ARG A 29 14.213 -5.847 -6.019 1.00 64.43 H new ATOM 0 HA ARG A 29 16.052 -3.538 -5.676 1.00 23.00 H new ATOM 0 HB2 ARG A 29 14.259 -3.848 -8.107 1.00 24.43 H new ATOM 0 HB3 ARG A 29 15.632 -2.780 -7.893 1.00 24.43 H new ATOM 0 HG2 ARG A 29 17.206 -4.630 -8.153 1.00 60.24 H new ATOM 0 HG3 ARG A 29 15.910 -5.809 -8.127 1.00 60.24 H new ATOM 0 HD2 ARG A 29 15.000 -4.526 -10.243 1.00 61.11 H new ATOM 0 HD3 ARG A 29 16.606 -3.829 -10.327 1.00 61.11 H new ATOM 0 HE ARG A 29 17.177 -6.508 -10.137 1.00 13.44 H new ATOM 0 HH11 ARG A 29 14.968 -4.690 -12.255 1.00 4.15 H new ATOM 0 HH12 ARG A 29 15.121 -5.848 -13.580 1.00 4.15 H new ATOM 0 HH21 ARG A 29 17.288 -7.999 -11.812 1.00 32.43 H new ATOM 0 HH22 ARG A 29 16.428 -7.713 -13.329 1.00 32.43 H new ATOM 486 N ASP A 30 13.903 -1.922 -5.667 1.00 21.12 N ATOM 487 CA ASP A 30 12.741 -1.075 -5.309 1.00 61.30 C ATOM 488 C ASP A 30 11.577 -1.272 -6.319 1.00 62.31 C ATOM 489 O ASP A 30 10.407 -1.364 -5.930 1.00 74.34 O ATOM 490 CB ASP A 30 13.173 0.419 -5.261 1.00 32.32 C ATOM 491 CG ASP A 30 13.694 0.959 -6.618 1.00 33.03 C ATOM 492 OD1 ASP A 30 14.766 0.502 -7.081 1.00 72.24 O ATOM 493 OD2 ASP A 30 13.028 1.817 -7.241 1.00 61.05 O ATOM 0 H ASP A 30 14.720 -1.385 -5.957 1.00 21.12 H new ATOM 0 HA ASP A 30 12.383 -1.375 -4.324 1.00 61.30 H new ATOM 0 HB2 ASP A 30 12.325 1.024 -4.941 1.00 32.32 H new ATOM 0 HB3 ASP A 30 13.952 0.539 -4.508 1.00 32.32 H new ATOM 498 N GLU A 31 11.944 -1.355 -7.613 1.00 24.52 N ATOM 499 CA GLU A 31 11.003 -1.516 -8.742 1.00 52.44 C ATOM 500 C GLU A 31 10.271 -2.875 -8.692 1.00 30.12 C ATOM 501 O GLU A 31 9.194 -3.021 -9.270 1.00 20.54 O ATOM 502 CB GLU A 31 11.775 -1.372 -10.081 1.00 21.12 C ATOM 503 CG GLU A 31 12.912 -2.398 -10.253 1.00 55.24 C ATOM 504 CD GLU A 31 13.728 -2.221 -11.539 1.00 75.51 C ATOM 505 OE1 GLU A 31 14.490 -1.233 -11.629 1.00 2.41 O ATOM 506 OE2 GLU A 31 13.636 -3.071 -12.458 1.00 54.32 O ATOM 0 H GLU A 31 12.919 -1.311 -7.909 1.00 24.52 H new ATOM 0 HA GLU A 31 10.245 -0.737 -8.665 1.00 52.44 H new ATOM 0 HB2 GLU A 31 11.073 -1.478 -10.908 1.00 21.12 H new ATOM 0 HB3 GLU A 31 12.192 -0.367 -10.144 1.00 21.12 H new ATOM 0 HG2 GLU A 31 13.583 -2.327 -9.397 1.00 55.24 H new ATOM 0 HG3 GLU A 31 12.486 -3.401 -10.241 1.00 55.24 H new ATOM 513 N GLU A 32 10.865 -3.854 -7.988 1.00 15.21 N ATOM 514 CA GLU A 32 10.302 -5.211 -7.850 1.00 54.50 C ATOM 515 C GLU A 32 9.172 -5.238 -6.798 1.00 11.14 C ATOM 516 O GLU A 32 8.267 -6.075 -6.864 1.00 63.13 O ATOM 517 CB GLU A 32 11.421 -6.205 -7.446 1.00 34.35 C ATOM 518 CG GLU A 32 12.643 -6.231 -8.385 1.00 1.40 C ATOM 519 CD GLU A 32 12.320 -6.657 -9.826 1.00 31.01 C ATOM 520 OE1 GLU A 32 12.070 -7.859 -10.057 1.00 63.24 O ATOM 521 OE2 GLU A 32 12.299 -5.798 -10.736 1.00 33.01 O ATOM 0 H GLU A 32 11.750 -3.728 -7.497 1.00 15.21 H new ATOM 0 HA GLU A 32 9.881 -5.507 -8.811 1.00 54.50 H new ATOM 0 HB2 GLU A 32 11.760 -5.957 -6.440 1.00 34.35 H new ATOM 0 HB3 GLU A 32 10.996 -7.208 -7.401 1.00 34.35 H new ATOM 0 HG2 GLU A 32 13.094 -5.239 -8.404 1.00 1.40 H new ATOM 0 HG3 GLU A 32 13.388 -6.913 -7.975 1.00 1.40 H new ATOM 528 N LEU A 33 9.240 -4.297 -5.833 1.00 2.24 N ATOM 529 CA LEU A 33 8.294 -4.212 -4.696 1.00 35.10 C ATOM 530 C LEU A 33 6.897 -3.729 -5.186 1.00 1.22 C ATOM 531 O LEU A 33 5.888 -4.016 -4.545 1.00 55.34 O ATOM 532 CB LEU A 33 8.884 -3.264 -3.588 1.00 43.41 C ATOM 533 CG LEU A 33 8.630 -3.656 -2.079 1.00 5.24 C ATOM 534 CD1 LEU A 33 7.137 -3.673 -1.693 1.00 40.52 C ATOM 535 CD2 LEU A 33 9.301 -4.998 -1.721 1.00 55.42 C ATOM 0 H LEU A 33 9.956 -3.570 -5.819 1.00 2.24 H new ATOM 0 HA LEU A 33 8.159 -5.201 -4.259 1.00 35.10 H new ATOM 0 HB2 LEU A 33 9.961 -3.198 -3.741 1.00 43.41 H new ATOM 0 HB3 LEU A 33 8.477 -2.266 -3.749 1.00 43.41 H new ATOM 0 HG LEU A 33 9.095 -2.866 -1.489 1.00 5.24 H new ATOM 0 HD11 LEU A 33 7.036 -3.950 -0.644 1.00 40.52 H new ATOM 0 HD12 LEU A 33 6.709 -2.683 -1.850 1.00 40.52 H new ATOM 0 HD13 LEU A 33 6.609 -4.398 -2.312 1.00 40.52 H new ATOM 0 HD21 LEU A 33 9.105 -5.235 -0.675 1.00 55.42 H new ATOM 0 HD22 LEU A 33 8.896 -5.787 -2.354 1.00 55.42 H new ATOM 0 HD23 LEU A 33 10.377 -4.921 -1.880 1.00 55.42 H new ATOM 547 N LYS A 34 6.866 -3.021 -6.345 1.00 63.40 N ATOM 548 CA LYS A 34 5.630 -2.415 -6.896 1.00 60.21 C ATOM 549 C LYS A 34 4.533 -3.467 -7.122 1.00 12.35 C ATOM 550 O LYS A 34 3.419 -3.321 -6.629 1.00 32.15 O ATOM 551 CB LYS A 34 5.891 -1.690 -8.242 1.00 35.45 C ATOM 552 CG LYS A 34 7.046 -0.677 -8.255 1.00 53.42 C ATOM 553 CD LYS A 34 7.165 0.111 -9.589 1.00 31.13 C ATOM 554 CE LYS A 34 7.178 -0.772 -10.867 1.00 73.35 C ATOM 555 NZ LYS A 34 5.811 -1.216 -11.302 1.00 64.43 N ATOM 0 H LYS A 34 7.693 -2.856 -6.919 1.00 63.40 H new ATOM 0 HA LYS A 34 5.297 -1.691 -6.152 1.00 60.21 H new ATOM 0 HB2 LYS A 34 6.088 -2.444 -9.004 1.00 35.45 H new ATOM 0 HB3 LYS A 34 4.978 -1.172 -8.535 1.00 35.45 H new ATOM 0 HG2 LYS A 34 6.908 0.029 -7.436 1.00 53.42 H new ATOM 0 HG3 LYS A 34 7.982 -1.203 -8.068 1.00 53.42 H new ATOM 0 HD2 LYS A 34 6.333 0.812 -9.657 1.00 31.13 H new ATOM 0 HD3 LYS A 34 8.079 0.704 -9.564 1.00 31.13 H new ATOM 0 HE2 LYS A 34 7.646 -0.215 -11.679 1.00 73.35 H new ATOM 0 HE3 LYS A 34 7.796 -1.651 -10.685 1.00 73.35 H new ATOM 0 HZ1 LYS A 34 5.691 -2.228 -11.092 1.00 64.43 H new ATOM 0 HZ2 LYS A 34 5.089 -0.669 -10.791 1.00 64.43 H new ATOM 0 HZ3 LYS A 34 5.704 -1.060 -12.325 1.00 64.43 H new ATOM 569 N GLU A 35 4.884 -4.531 -7.883 1.00 72.02 N ATOM 570 CA GLU A 35 3.938 -5.598 -8.258 1.00 54.40 C ATOM 571 C GLU A 35 3.381 -6.304 -7.016 1.00 55.13 C ATOM 572 O GLU A 35 2.233 -6.719 -7.013 1.00 74.02 O ATOM 573 CB GLU A 35 4.600 -6.594 -9.262 1.00 41.12 C ATOM 574 CG GLU A 35 5.808 -7.442 -8.737 1.00 74.13 C ATOM 575 CD GLU A 35 5.450 -8.866 -8.251 1.00 14.02 C ATOM 576 OE1 GLU A 35 4.602 -9.525 -8.892 1.00 3.14 O ATOM 577 OE2 GLU A 35 6.028 -9.345 -7.249 1.00 74.10 O ATOM 0 H GLU A 35 5.826 -4.669 -8.250 1.00 72.02 H new ATOM 0 HA GLU A 35 3.088 -5.145 -8.768 1.00 54.40 H new ATOM 0 HB2 GLU A 35 3.831 -7.282 -9.612 1.00 41.12 H new ATOM 0 HB3 GLU A 35 4.937 -6.026 -10.129 1.00 41.12 H new ATOM 0 HG2 GLU A 35 6.548 -7.522 -9.533 1.00 74.13 H new ATOM 0 HG3 GLU A 35 6.280 -6.903 -7.916 1.00 74.13 H new ATOM 584 N LYS A 36 4.205 -6.377 -5.952 1.00 0.23 N ATOM 585 CA LYS A 36 3.832 -6.997 -4.666 1.00 55.14 C ATOM 586 C LYS A 36 2.744 -6.175 -3.973 1.00 42.41 C ATOM 587 O LYS A 36 1.795 -6.736 -3.443 1.00 2.43 O ATOM 588 CB LYS A 36 5.078 -7.117 -3.748 1.00 22.42 C ATOM 589 CG LYS A 36 6.257 -7.799 -4.443 1.00 41.50 C ATOM 590 CD LYS A 36 7.509 -7.952 -3.567 1.00 35.31 C ATOM 591 CE LYS A 36 8.679 -8.528 -4.377 1.00 5.14 C ATOM 592 NZ LYS A 36 8.308 -9.797 -5.060 1.00 33.21 N ATOM 0 H LYS A 36 5.155 -6.005 -5.961 1.00 0.23 H new ATOM 0 HA LYS A 36 3.442 -7.996 -4.862 1.00 55.14 H new ATOM 0 HB2 LYS A 36 5.380 -6.122 -3.420 1.00 22.42 H new ATOM 0 HB3 LYS A 36 4.813 -7.681 -2.854 1.00 22.42 H new ATOM 0 HG2 LYS A 36 5.942 -8.786 -4.781 1.00 41.50 H new ATOM 0 HG3 LYS A 36 6.519 -7.226 -5.333 1.00 41.50 H new ATOM 0 HD2 LYS A 36 7.790 -6.983 -3.155 1.00 35.31 H new ATOM 0 HD3 LYS A 36 7.289 -8.606 -2.723 1.00 35.31 H new ATOM 0 HE2 LYS A 36 9.002 -7.797 -5.119 1.00 5.14 H new ATOM 0 HE3 LYS A 36 9.526 -8.706 -3.715 1.00 5.14 H new ATOM 0 HZ1 LYS A 36 9.164 -10.250 -5.439 1.00 33.21 H new ATOM 0 HZ2 LYS A 36 7.850 -10.437 -4.379 1.00 33.21 H new ATOM 0 HZ3 LYS A 36 7.650 -9.592 -5.839 1.00 33.21 H new ATOM 606 N LEU A 37 2.917 -4.836 -3.987 1.00 31.52 N ATOM 607 CA LEU A 37 1.934 -3.874 -3.455 1.00 5.15 C ATOM 608 C LEU A 37 0.596 -3.987 -4.213 1.00 63.13 C ATOM 609 O LEU A 37 -0.466 -3.897 -3.605 1.00 73.45 O ATOM 610 CB LEU A 37 2.489 -2.431 -3.561 1.00 55.31 C ATOM 611 CG LEU A 37 3.773 -2.132 -2.734 1.00 12.22 C ATOM 612 CD1 LEU A 37 4.391 -0.778 -3.130 1.00 42.23 C ATOM 613 CD2 LEU A 37 3.486 -2.190 -1.221 1.00 1.44 C ATOM 0 H LEU A 37 3.750 -4.391 -4.371 1.00 31.52 H new ATOM 0 HA LEU A 37 1.755 -4.108 -2.406 1.00 5.15 H new ATOM 0 HB2 LEU A 37 2.699 -2.220 -4.610 1.00 55.31 H new ATOM 0 HB3 LEU A 37 1.708 -1.739 -3.246 1.00 55.31 H new ATOM 0 HG LEU A 37 4.502 -2.908 -2.965 1.00 12.22 H new ATOM 0 HD11 LEU A 37 5.286 -0.599 -2.534 1.00 42.23 H new ATOM 0 HD12 LEU A 37 4.656 -0.794 -4.187 1.00 42.23 H new ATOM 0 HD13 LEU A 37 3.669 0.018 -2.949 1.00 42.23 H new ATOM 0 HD21 LEU A 37 4.401 -1.977 -0.669 1.00 1.44 H new ATOM 0 HD22 LEU A 37 2.728 -1.450 -0.966 1.00 1.44 H new ATOM 0 HD23 LEU A 37 3.126 -3.184 -0.957 1.00 1.44 H new ATOM 625 N LYS A 38 0.673 -4.183 -5.552 1.00 71.53 N ATOM 626 CA LYS A 38 -0.507 -4.402 -6.412 1.00 3.42 C ATOM 627 C LYS A 38 -1.229 -5.707 -6.037 1.00 43.10 C ATOM 628 O LYS A 38 -2.455 -5.736 -5.986 1.00 54.21 O ATOM 629 CB LYS A 38 -0.078 -4.448 -7.899 1.00 21.20 C ATOM 630 CG LYS A 38 0.596 -3.158 -8.406 1.00 74.22 C ATOM 631 CD LYS A 38 1.158 -3.300 -9.838 1.00 54.43 C ATOM 632 CE LYS A 38 0.075 -3.620 -10.883 1.00 21.31 C ATOM 633 NZ LYS A 38 0.643 -3.734 -12.251 1.00 1.14 N ATOM 0 H LYS A 38 1.556 -4.193 -6.062 1.00 71.53 H new ATOM 0 HA LYS A 38 -1.197 -3.572 -6.260 1.00 3.42 H new ATOM 0 HB2 LYS A 38 0.609 -5.283 -8.041 1.00 21.20 H new ATOM 0 HB3 LYS A 38 -0.956 -4.650 -8.512 1.00 21.20 H new ATOM 0 HG2 LYS A 38 -0.127 -2.343 -8.383 1.00 74.22 H new ATOM 0 HG3 LYS A 38 1.405 -2.886 -7.728 1.00 74.22 H new ATOM 0 HD2 LYS A 38 1.662 -2.375 -10.117 1.00 54.43 H new ATOM 0 HD3 LYS A 38 1.910 -4.089 -9.850 1.00 54.43 H new ATOM 0 HE2 LYS A 38 -0.422 -4.553 -10.617 1.00 21.31 H new ATOM 0 HE3 LYS A 38 -0.685 -2.839 -10.869 1.00 21.31 H new ATOM 0 HZ1 LYS A 38 -0.120 -3.644 -12.952 1.00 1.14 H new ATOM 0 HZ2 LYS A 38 1.342 -2.978 -12.401 1.00 1.14 H new ATOM 0 HZ3 LYS A 38 1.105 -4.659 -12.359 1.00 1.14 H new ATOM 647 N LYS A 39 -0.443 -6.786 -5.783 1.00 61.32 N ATOM 648 CA LYS A 39 -0.993 -8.093 -5.358 1.00 42.33 C ATOM 649 C LYS A 39 -1.739 -7.932 -4.025 1.00 35.14 C ATOM 650 O LYS A 39 -2.867 -8.372 -3.901 1.00 34.11 O ATOM 651 CB LYS A 39 0.117 -9.182 -5.214 1.00 65.15 C ATOM 652 CG LYS A 39 0.940 -9.455 -6.493 1.00 34.34 C ATOM 653 CD LYS A 39 0.093 -9.920 -7.704 1.00 13.41 C ATOM 654 CE LYS A 39 0.905 -9.958 -9.019 1.00 22.22 C ATOM 655 NZ LYS A 39 2.100 -10.834 -8.932 1.00 53.33 N ATOM 0 H LYS A 39 0.574 -6.773 -5.866 1.00 61.32 H new ATOM 0 HA LYS A 39 -1.681 -8.428 -6.134 1.00 42.33 H new ATOM 0 HB2 LYS A 39 0.799 -8.880 -4.420 1.00 65.15 H new ATOM 0 HB3 LYS A 39 -0.350 -10.114 -4.896 1.00 65.15 H new ATOM 0 HG2 LYS A 39 1.478 -8.547 -6.767 1.00 34.34 H new ATOM 0 HG3 LYS A 39 1.690 -10.216 -6.274 1.00 34.34 H new ATOM 0 HD2 LYS A 39 -0.310 -10.912 -7.501 1.00 13.41 H new ATOM 0 HD3 LYS A 39 -0.758 -9.250 -7.826 1.00 13.41 H new ATOM 0 HE2 LYS A 39 0.262 -10.307 -9.827 1.00 22.22 H new ATOM 0 HE3 LYS A 39 1.220 -8.946 -9.276 1.00 22.22 H new ATOM 0 HZ1 LYS A 39 2.960 -10.249 -8.922 1.00 53.33 H new ATOM 0 HZ2 LYS A 39 2.055 -11.397 -8.059 1.00 53.33 H new ATOM 0 HZ3 LYS A 39 2.124 -11.471 -9.754 1.00 53.33 H new ATOM 669 N VAL A 40 -1.079 -7.255 -3.062 1.00 31.30 N ATOM 670 CA VAL A 40 -1.618 -6.957 -1.719 1.00 42.40 C ATOM 671 C VAL A 40 -2.949 -6.172 -1.789 1.00 5.24 C ATOM 672 O VAL A 40 -3.936 -6.560 -1.153 1.00 2.02 O ATOM 673 CB VAL A 40 -0.557 -6.144 -0.867 1.00 54.33 C ATOM 674 CG1 VAL A 40 -1.165 -5.580 0.427 1.00 25.12 C ATOM 675 CG2 VAL A 40 0.682 -7.006 -0.530 1.00 31.12 C ATOM 0 H VAL A 40 -0.136 -6.892 -3.200 1.00 31.30 H new ATOM 0 HA VAL A 40 -1.821 -7.911 -1.233 1.00 42.40 H new ATOM 0 HB VAL A 40 -0.243 -5.306 -1.489 1.00 54.33 H new ATOM 0 HG11 VAL A 40 -0.402 -5.031 0.978 1.00 25.12 H new ATOM 0 HG12 VAL A 40 -1.988 -4.909 0.180 1.00 25.12 H new ATOM 0 HG13 VAL A 40 -1.537 -6.400 1.042 1.00 25.12 H new ATOM 0 HG21 VAL A 40 1.388 -6.416 0.055 1.00 31.12 H new ATOM 0 HG22 VAL A 40 0.373 -7.878 0.047 1.00 31.12 H new ATOM 0 HG23 VAL A 40 1.160 -7.333 -1.453 1.00 31.12 H new ATOM 685 N LEU A 41 -2.952 -5.079 -2.573 1.00 1.31 N ATOM 686 CA LEU A 41 -4.084 -4.140 -2.645 1.00 34.51 C ATOM 687 C LEU A 41 -5.283 -4.773 -3.366 1.00 22.34 C ATOM 688 O LEU A 41 -6.390 -4.738 -2.841 1.00 42.14 O ATOM 689 CB LEU A 41 -3.646 -2.802 -3.308 1.00 43.11 C ATOM 690 CG LEU A 41 -2.756 -1.875 -2.415 1.00 45.31 C ATOM 691 CD1 LEU A 41 -2.214 -0.668 -3.202 1.00 10.34 C ATOM 692 CD2 LEU A 41 -3.532 -1.408 -1.169 1.00 53.23 C ATOM 0 H LEU A 41 -2.169 -4.823 -3.174 1.00 1.31 H new ATOM 0 HA LEU A 41 -4.407 -3.912 -1.629 1.00 34.51 H new ATOM 0 HB2 LEU A 41 -3.100 -3.030 -4.223 1.00 43.11 H new ATOM 0 HB3 LEU A 41 -4.540 -2.250 -3.599 1.00 43.11 H new ATOM 0 HG LEU A 41 -1.898 -2.464 -2.090 1.00 45.31 H new ATOM 0 HD11 LEU A 41 -1.602 -0.051 -2.545 1.00 10.34 H new ATOM 0 HD12 LEU A 41 -1.609 -1.020 -4.037 1.00 10.34 H new ATOM 0 HD13 LEU A 41 -3.048 -0.077 -3.582 1.00 10.34 H new ATOM 0 HD21 LEU A 41 -2.894 -0.765 -0.563 1.00 53.23 H new ATOM 0 HD22 LEU A 41 -4.417 -0.853 -1.479 1.00 53.23 H new ATOM 0 HD23 LEU A 41 -3.835 -2.276 -0.583 1.00 53.23 H new ATOM 704 N ASN A 42 -5.044 -5.374 -4.552 1.00 1.12 N ATOM 705 CA ASN A 42 -6.096 -6.076 -5.325 1.00 31.30 C ATOM 706 C ASN A 42 -6.685 -7.256 -4.521 1.00 62.31 C ATOM 707 O ASN A 42 -7.891 -7.481 -4.559 1.00 70.20 O ATOM 708 CB ASN A 42 -5.549 -6.579 -6.693 1.00 74.13 C ATOM 709 CG ASN A 42 -5.162 -5.452 -7.661 1.00 72.13 C ATOM 710 OD1 ASN A 42 -5.751 -4.369 -7.648 1.00 41.41 O ATOM 711 ND2 ASN A 42 -4.169 -5.702 -8.507 1.00 32.03 N ATOM 0 H ASN A 42 -4.127 -5.388 -4.998 1.00 1.12 H new ATOM 0 HA ASN A 42 -6.893 -5.357 -5.516 1.00 31.30 H new ATOM 0 HB2 ASN A 42 -4.676 -7.207 -6.515 1.00 74.13 H new ATOM 0 HB3 ASN A 42 -6.304 -7.208 -7.166 1.00 74.13 H new ATOM 0 HD21 ASN A 42 -3.873 -4.987 -9.172 1.00 32.03 H new ATOM 0 HD22 ASN A 42 -3.702 -6.609 -8.492 1.00 32.03 H new ATOM 718 N GLU A 43 -5.817 -7.982 -3.789 1.00 11.24 N ATOM 719 CA GLU A 43 -6.215 -9.134 -2.949 1.00 73.43 C ATOM 720 C GLU A 43 -7.154 -8.689 -1.814 1.00 54.44 C ATOM 721 O GLU A 43 -8.269 -9.204 -1.679 1.00 32.43 O ATOM 722 CB GLU A 43 -4.951 -9.827 -2.361 1.00 10.03 C ATOM 723 CG GLU A 43 -5.194 -10.939 -1.319 1.00 44.35 C ATOM 724 CD GLU A 43 -6.045 -12.114 -1.836 1.00 54.50 C ATOM 725 OE1 GLU A 43 -5.633 -12.779 -2.815 1.00 64.34 O ATOM 726 OE2 GLU A 43 -7.128 -12.380 -1.273 1.00 43.44 O ATOM 0 H GLU A 43 -4.816 -7.787 -3.762 1.00 11.24 H new ATOM 0 HA GLU A 43 -6.753 -9.846 -3.575 1.00 73.43 H new ATOM 0 HB2 GLU A 43 -4.381 -10.253 -3.187 1.00 10.03 H new ATOM 0 HB3 GLU A 43 -4.325 -9.061 -1.903 1.00 10.03 H new ATOM 0 HG2 GLU A 43 -4.231 -11.323 -0.983 1.00 44.35 H new ATOM 0 HG3 GLU A 43 -5.685 -10.505 -0.448 1.00 44.35 H new ATOM 733 N ARG A 44 -6.685 -7.707 -1.024 1.00 10.41 N ATOM 734 CA ARG A 44 -7.383 -7.259 0.192 1.00 2.24 C ATOM 735 C ARG A 44 -8.669 -6.489 -0.164 1.00 21.21 C ATOM 736 O ARG A 44 -9.664 -6.585 0.557 1.00 61.42 O ATOM 737 CB ARG A 44 -6.438 -6.397 1.089 1.00 20.00 C ATOM 738 CG ARG A 44 -7.014 -5.982 2.473 1.00 62.11 C ATOM 739 CD ARG A 44 -7.287 -7.163 3.443 1.00 72.52 C ATOM 740 NE ARG A 44 -8.376 -8.056 2.980 1.00 43.02 N ATOM 741 CZ ARG A 44 -8.518 -9.357 3.308 1.00 1.00 C ATOM 742 NH1 ARG A 44 -7.665 -9.962 4.124 1.00 45.11 N ATOM 743 NH2 ARG A 44 -9.505 -10.060 2.786 1.00 1.52 N ATOM 0 H ARG A 44 -5.817 -7.205 -1.210 1.00 10.41 H new ATOM 0 HA ARG A 44 -7.672 -8.142 0.763 1.00 2.24 H new ATOM 0 HB2 ARG A 44 -5.515 -6.954 1.252 1.00 20.00 H new ATOM 0 HB3 ARG A 44 -6.172 -5.493 0.541 1.00 20.00 H new ATOM 0 HG2 ARG A 44 -6.317 -5.292 2.949 1.00 62.11 H new ATOM 0 HG3 ARG A 44 -7.945 -5.437 2.315 1.00 62.11 H new ATOM 0 HD2 ARG A 44 -6.374 -7.746 3.563 1.00 72.52 H new ATOM 0 HD3 ARG A 44 -7.543 -6.767 4.426 1.00 72.52 H new ATOM 0 HE ARG A 44 -9.078 -7.652 2.360 1.00 43.02 H new ATOM 0 HH11 ARG A 44 -6.881 -9.443 4.518 1.00 45.11 H new ATOM 0 HH12 ARG A 44 -7.793 -10.947 4.357 1.00 45.11 H new ATOM 0 HH21 ARG A 44 -10.157 -9.620 2.137 1.00 1.52 H new ATOM 0 HH22 ARG A 44 -9.616 -11.044 3.031 1.00 1.52 H new ATOM 757 N MET A 45 -8.646 -5.756 -1.298 1.00 10.33 N ATOM 758 CA MET A 45 -9.791 -4.933 -1.749 1.00 32.24 C ATOM 759 C MET A 45 -10.773 -5.715 -2.636 1.00 71.32 C ATOM 760 O MET A 45 -11.838 -5.189 -2.973 1.00 61.04 O ATOM 761 CB MET A 45 -9.309 -3.642 -2.468 1.00 10.42 C ATOM 762 CG MET A 45 -8.569 -2.650 -1.556 1.00 11.40 C ATOM 763 SD MET A 45 -8.439 -1.000 -2.274 1.00 44.24 S ATOM 764 CE MET A 45 -10.164 -0.499 -2.393 1.00 52.20 C ATOM 0 H MET A 45 -7.841 -5.717 -1.923 1.00 10.33 H new ATOM 0 HA MET A 45 -10.335 -4.646 -0.849 1.00 32.24 H new ATOM 0 HB2 MET A 45 -8.651 -3.922 -3.290 1.00 10.42 H new ATOM 0 HB3 MET A 45 -10.172 -3.141 -2.907 1.00 10.42 H new ATOM 0 HG2 MET A 45 -9.089 -2.585 -0.600 1.00 11.40 H new ATOM 0 HG3 MET A 45 -7.569 -3.031 -1.349 1.00 11.40 H new ATOM 0 HE1 MET A 45 -10.226 0.589 -2.420 1.00 52.20 H new ATOM 0 HE2 MET A 45 -10.600 -0.910 -3.303 1.00 52.20 H new ATOM 0 HE3 MET A 45 -10.712 -0.872 -1.527 1.00 52.20 H new ATOM 774 N ASP A 46 -10.422 -6.963 -3.003 1.00 23.15 N ATOM 775 CA ASP A 46 -11.290 -7.829 -3.829 1.00 25.14 C ATOM 776 C ASP A 46 -12.655 -8.135 -3.119 1.00 1.11 C ATOM 777 O ASP A 46 -13.706 -7.944 -3.743 1.00 74.42 O ATOM 778 CB ASP A 46 -10.540 -9.126 -4.250 1.00 62.44 C ATOM 779 CG ASP A 46 -11.294 -9.958 -5.297 1.00 51.20 C ATOM 780 OD1 ASP A 46 -11.416 -9.494 -6.453 1.00 12.41 O ATOM 781 OD2 ASP A 46 -11.742 -11.078 -4.992 1.00 4.23 O ATOM 0 H ASP A 46 -9.538 -7.397 -2.739 1.00 23.15 H new ATOM 0 HA ASP A 46 -11.535 -7.284 -4.741 1.00 25.14 H new ATOM 0 HB2 ASP A 46 -9.561 -8.857 -4.647 1.00 62.44 H new ATOM 0 HB3 ASP A 46 -10.367 -9.740 -3.366 1.00 62.44 H new ATOM 786 N PRO A 47 -12.694 -8.597 -1.808 1.00 13.01 N ATOM 787 CA PRO A 47 -13.982 -8.774 -1.072 1.00 50.01 C ATOM 788 C PRO A 47 -14.636 -7.424 -0.681 1.00 5.14 C ATOM 789 O PRO A 47 -15.843 -7.363 -0.470 1.00 2.30 O ATOM 790 CB PRO A 47 -13.562 -9.588 0.181 1.00 51.34 C ATOM 791 CG PRO A 47 -12.140 -9.182 0.423 1.00 62.45 C ATOM 792 CD PRO A 47 -11.532 -9.019 -0.954 1.00 54.32 C ATOM 0 HA PRO A 47 -14.741 -9.270 -1.677 1.00 50.01 H new ATOM 0 HB2 PRO A 47 -14.194 -9.355 1.038 1.00 51.34 H new ATOM 0 HB3 PRO A 47 -13.646 -10.661 0.006 1.00 51.34 H new ATOM 0 HG2 PRO A 47 -12.087 -8.252 0.989 1.00 62.45 H new ATOM 0 HG3 PRO A 47 -11.608 -9.938 1.001 1.00 62.45 H new ATOM 0 HD2 PRO A 47 -10.740 -8.270 -0.956 1.00 54.32 H new ATOM 0 HD3 PRO A 47 -11.091 -9.950 -1.310 1.00 54.32 H new ATOM 800 N ILE A 48 -13.824 -6.345 -0.628 1.00 21.02 N ATOM 801 CA ILE A 48 -14.285 -4.990 -0.235 1.00 4.31 C ATOM 802 C ILE A 48 -15.218 -4.414 -1.326 1.00 65.01 C ATOM 803 O ILE A 48 -16.161 -3.661 -1.032 1.00 33.12 O ATOM 804 CB ILE A 48 -13.059 -4.031 0.002 1.00 32.01 C ATOM 805 CG1 ILE A 48 -12.083 -4.616 1.077 1.00 15.32 C ATOM 806 CG2 ILE A 48 -13.497 -2.594 0.366 1.00 21.52 C ATOM 807 CD1 ILE A 48 -12.663 -4.851 2.455 1.00 51.00 C ATOM 0 H ILE A 48 -12.831 -6.386 -0.856 1.00 21.02 H new ATOM 0 HA ILE A 48 -14.840 -5.068 0.700 1.00 4.31 H new ATOM 0 HB ILE A 48 -12.521 -3.966 -0.944 1.00 32.01 H new ATOM 0 HG12 ILE A 48 -11.692 -5.563 0.705 1.00 15.32 H new ATOM 0 HG13 ILE A 48 -11.235 -3.938 1.174 1.00 15.32 H new ATOM 0 HG21 ILE A 48 -12.615 -1.973 0.519 1.00 21.52 H new ATOM 0 HG22 ILE A 48 -14.096 -2.180 -0.445 1.00 21.52 H new ATOM 0 HG23 ILE A 48 -14.089 -2.615 1.281 1.00 21.52 H new ATOM 0 HD11 ILE A 48 -11.892 -5.257 3.110 1.00 51.00 H new ATOM 0 HD12 ILE A 48 -13.026 -3.907 2.863 1.00 51.00 H new ATOM 0 HD13 ILE A 48 -13.490 -5.558 2.386 1.00 51.00 H new ATOM 819 N LYS A 49 -14.946 -4.813 -2.584 1.00 44.30 N ATOM 820 CA LYS A 49 -15.783 -4.483 -3.745 1.00 44.23 C ATOM 821 C LYS A 49 -17.182 -5.107 -3.593 1.00 12.33 C ATOM 822 O LYS A 49 -18.187 -4.471 -3.909 1.00 51.33 O ATOM 823 CB LYS A 49 -15.103 -4.983 -5.044 1.00 32.10 C ATOM 824 CG LYS A 49 -13.743 -4.312 -5.352 1.00 24.33 C ATOM 825 CD LYS A 49 -12.946 -5.070 -6.432 1.00 64.52 C ATOM 826 CE LYS A 49 -11.555 -4.471 -6.709 1.00 42.33 C ATOM 827 NZ LYS A 49 -11.636 -3.143 -7.370 1.00 75.24 N ATOM 0 H LYS A 49 -14.131 -5.378 -2.821 1.00 44.30 H new ATOM 0 HA LYS A 49 -15.897 -3.400 -3.803 1.00 44.23 H new ATOM 0 HB2 LYS A 49 -14.955 -6.060 -4.971 1.00 32.10 H new ATOM 0 HB3 LYS A 49 -15.778 -4.811 -5.883 1.00 32.10 H new ATOM 0 HG2 LYS A 49 -13.913 -3.287 -5.682 1.00 24.33 H new ATOM 0 HG3 LYS A 49 -13.152 -4.259 -4.438 1.00 24.33 H new ATOM 0 HD2 LYS A 49 -12.830 -6.109 -6.123 1.00 64.52 H new ATOM 0 HD3 LYS A 49 -13.521 -5.075 -7.358 1.00 64.52 H new ATOM 0 HE2 LYS A 49 -11.010 -4.375 -5.770 1.00 42.33 H new ATOM 0 HE3 LYS A 49 -10.986 -5.154 -7.340 1.00 42.33 H new ATOM 0 HZ1 LYS A 49 -10.676 -2.779 -7.537 1.00 75.24 H new ATOM 0 HZ2 LYS A 49 -12.133 -3.237 -8.279 1.00 75.24 H new ATOM 0 HZ3 LYS A 49 -12.156 -2.482 -6.758 1.00 75.24 H new ATOM 841 N LYS A 50 -17.218 -6.354 -3.077 1.00 21.35 N ATOM 842 CA LYS A 50 -18.471 -7.111 -2.861 1.00 32.21 C ATOM 843 C LYS A 50 -19.237 -6.524 -1.645 1.00 53.01 C ATOM 844 O LYS A 50 -20.472 -6.570 -1.592 1.00 63.24 O ATOM 845 CB LYS A 50 -18.139 -8.634 -2.671 1.00 15.31 C ATOM 846 CG LYS A 50 -19.239 -9.649 -3.124 1.00 22.25 C ATOM 847 CD LYS A 50 -20.540 -9.646 -2.277 1.00 20.10 C ATOM 848 CE LYS A 50 -20.294 -9.938 -0.786 1.00 75.43 C ATOM 849 NZ LYS A 50 -21.558 -9.973 -0.005 1.00 11.11 N ATOM 0 H LYS A 50 -16.380 -6.865 -2.798 1.00 21.35 H new ATOM 0 HA LYS A 50 -19.120 -7.019 -3.732 1.00 32.21 H new ATOM 0 HB2 LYS A 50 -17.224 -8.855 -3.220 1.00 15.31 H new ATOM 0 HB3 LYS A 50 -17.928 -8.808 -1.616 1.00 15.31 H new ATOM 0 HG2 LYS A 50 -19.500 -9.436 -4.161 1.00 22.25 H new ATOM 0 HG3 LYS A 50 -18.814 -10.653 -3.102 1.00 22.25 H new ATOM 0 HD2 LYS A 50 -21.027 -8.676 -2.375 1.00 20.10 H new ATOM 0 HD3 LYS A 50 -21.228 -10.390 -2.678 1.00 20.10 H new ATOM 0 HE2 LYS A 50 -19.780 -10.894 -0.685 1.00 75.43 H new ATOM 0 HE3 LYS A 50 -19.634 -9.175 -0.372 1.00 75.43 H new ATOM 0 HZ1 LYS A 50 -21.344 -10.173 0.993 1.00 11.11 H new ATOM 0 HZ2 LYS A 50 -22.037 -9.053 -0.079 1.00 11.11 H new ATOM 0 HZ3 LYS A 50 -22.178 -10.718 -0.382 1.00 11.11 H new ATOM 863 N LEU A 51 -18.487 -5.947 -0.685 1.00 23.34 N ATOM 864 CA LEU A 51 -19.082 -5.282 0.493 1.00 30.01 C ATOM 865 C LEU A 51 -19.781 -3.982 0.057 1.00 43.52 C ATOM 866 O LEU A 51 -20.797 -3.584 0.638 1.00 14.43 O ATOM 867 CB LEU A 51 -17.996 -4.974 1.557 1.00 63.20 C ATOM 868 CG LEU A 51 -17.338 -6.210 2.238 1.00 54.43 C ATOM 869 CD1 LEU A 51 -16.206 -5.781 3.190 1.00 2.13 C ATOM 870 CD2 LEU A 51 -18.388 -7.069 2.968 1.00 62.13 C ATOM 0 H LEU A 51 -17.467 -5.928 -0.702 1.00 23.34 H new ATOM 0 HA LEU A 51 -19.816 -5.953 0.939 1.00 30.01 H new ATOM 0 HB2 LEU A 51 -17.211 -4.383 1.085 1.00 63.20 H new ATOM 0 HB3 LEU A 51 -18.442 -4.351 2.333 1.00 63.20 H new ATOM 0 HG LEU A 51 -16.896 -6.826 1.455 1.00 54.43 H new ATOM 0 HD11 LEU A 51 -15.764 -6.664 3.652 1.00 2.13 H new ATOM 0 HD12 LEU A 51 -15.441 -5.245 2.628 1.00 2.13 H new ATOM 0 HD13 LEU A 51 -16.610 -5.130 3.965 1.00 2.13 H new ATOM 0 HD21 LEU A 51 -17.898 -7.924 3.433 1.00 62.13 H new ATOM 0 HD22 LEU A 51 -18.879 -6.470 3.735 1.00 62.13 H new ATOM 0 HD23 LEU A 51 -19.131 -7.421 2.253 1.00 62.13 H new ATOM 882 N GLY A 52 -19.204 -3.343 -0.975 1.00 5.32 N ATOM 883 CA GLY A 52 -19.798 -2.182 -1.616 1.00 21.13 C ATOM 884 C GLY A 52 -19.784 -0.949 -0.746 1.00 51.34 C ATOM 885 O GLY A 52 -20.812 -0.278 -0.584 1.00 12.13 O ATOM 0 H GLY A 52 -18.312 -3.626 -1.381 1.00 5.32 H new ATOM 0 HA2 GLY A 52 -19.261 -1.972 -2.541 1.00 21.13 H new ATOM 0 HA3 GLY A 52 -20.827 -2.413 -1.890 1.00 21.13 H new ATOM 889 N CYS A 53 -18.617 -0.666 -0.156 1.00 72.04 N ATOM 890 CA CYS A 53 -18.403 0.560 0.614 1.00 31.31 C ATOM 891 C CYS A 53 -18.227 1.752 -0.339 1.00 42.52 C ATOM 892 O CYS A 53 -17.328 1.750 -1.191 1.00 11.03 O ATOM 893 CB CYS A 53 -17.196 0.413 1.553 1.00 21.12 C ATOM 894 SG CYS A 53 -17.496 -0.746 2.920 1.00 0.23 S ATOM 0 H CYS A 53 -17.801 -1.277 -0.199 1.00 72.04 H new ATOM 0 HA CYS A 53 -19.279 0.743 1.236 1.00 31.31 H new ATOM 0 HB2 CYS A 53 -16.335 0.073 0.978 1.00 21.12 H new ATOM 0 HB3 CYS A 53 -16.940 1.390 1.962 1.00 21.12 H new ATOM 899 N LYS A 54 -19.122 2.750 -0.184 1.00 10.51 N ATOM 900 CA LYS A 54 -19.110 4.010 -0.955 1.00 4.20 C ATOM 901 C LYS A 54 -17.797 4.803 -0.753 1.00 33.02 C ATOM 902 O LYS A 54 -17.429 5.631 -1.593 1.00 30.11 O ATOM 903 CB LYS A 54 -20.340 4.872 -0.560 1.00 22.53 C ATOM 904 CG LYS A 54 -20.471 5.171 0.956 1.00 1.42 C ATOM 905 CD LYS A 54 -21.684 6.068 1.302 1.00 65.51 C ATOM 906 CE LYS A 54 -23.042 5.474 0.860 1.00 63.11 C ATOM 907 NZ LYS A 54 -23.301 4.127 1.446 1.00 41.41 N ATOM 0 H LYS A 54 -19.885 2.702 0.491 1.00 10.51 H new ATOM 0 HA LYS A 54 -19.167 3.759 -2.014 1.00 4.20 H new ATOM 0 HB2 LYS A 54 -20.290 5.818 -1.099 1.00 22.53 H new ATOM 0 HB3 LYS A 54 -21.244 4.363 -0.894 1.00 22.53 H new ATOM 0 HG2 LYS A 54 -20.558 4.230 1.498 1.00 1.42 H new ATOM 0 HG3 LYS A 54 -19.559 5.656 1.303 1.00 1.42 H new ATOM 0 HD2 LYS A 54 -21.704 6.237 2.379 1.00 65.51 H new ATOM 0 HD3 LYS A 54 -21.552 7.041 0.829 1.00 65.51 H new ATOM 0 HE2 LYS A 54 -23.843 6.153 1.153 1.00 63.11 H new ATOM 0 HE3 LYS A 54 -23.066 5.403 -0.227 1.00 63.11 H new ATOM 0 HZ1 LYS A 54 -24.223 3.777 1.117 1.00 41.41 H new ATOM 0 HZ2 LYS A 54 -22.554 3.469 1.147 1.00 41.41 H new ATOM 0 HZ3 LYS A 54 -23.307 4.195 2.484 1.00 41.41 H new ATOM 921 N ARG A 55 -17.122 4.542 0.374 1.00 11.31 N ATOM 922 CA ARG A 55 -15.811 5.114 0.689 1.00 15.05 C ATOM 923 C ARG A 55 -15.122 4.243 1.757 1.00 5.21 C ATOM 924 O ARG A 55 -15.776 3.759 2.686 1.00 53.02 O ATOM 925 CB ARG A 55 -15.951 6.578 1.178 1.00 24.12 C ATOM 926 CG ARG A 55 -14.615 7.295 1.486 1.00 1.44 C ATOM 927 CD ARG A 55 -14.822 8.700 2.070 1.00 12.12 C ATOM 928 NE ARG A 55 -15.650 8.671 3.298 1.00 34.32 N ATOM 929 CZ ARG A 55 -15.278 9.138 4.505 1.00 14.33 C ATOM 930 NH1 ARG A 55 -14.075 9.674 4.687 1.00 31.15 N ATOM 931 NH2 ARG A 55 -16.117 9.067 5.525 1.00 51.45 N ATOM 0 H ARG A 55 -17.477 3.920 1.100 1.00 11.31 H new ATOM 0 HA ARG A 55 -15.199 5.127 -0.213 1.00 15.05 H new ATOM 0 HB2 ARG A 55 -16.486 7.149 0.419 1.00 24.12 H new ATOM 0 HB3 ARG A 55 -16.567 6.588 2.077 1.00 24.12 H new ATOM 0 HG2 ARG A 55 -14.038 6.694 2.189 1.00 1.44 H new ATOM 0 HG3 ARG A 55 -14.027 7.368 0.571 1.00 1.44 H new ATOM 0 HD2 ARG A 55 -13.853 9.146 2.296 1.00 12.12 H new ATOM 0 HD3 ARG A 55 -15.300 9.336 1.325 1.00 12.12 H new ATOM 0 HE ARG A 55 -16.582 8.262 3.223 1.00 34.32 H new ATOM 0 HH11 ARG A 55 -13.421 9.735 3.907 1.00 31.15 H new ATOM 0 HH12 ARG A 55 -13.806 10.024 5.607 1.00 31.15 H new ATOM 0 HH21 ARG A 55 -17.043 8.659 5.396 1.00 51.45 H new ATOM 0 HH22 ARG A 55 -15.838 9.420 6.440 1.00 51.45 H new ATOM 945 N VAL A 56 -13.808 4.037 1.587 1.00 1.52 N ATOM 946 CA VAL A 56 -12.958 3.282 2.527 1.00 43.41 C ATOM 947 C VAL A 56 -11.710 4.105 2.882 1.00 10.45 C ATOM 948 O VAL A 56 -11.248 4.926 2.077 1.00 15.02 O ATOM 949 CB VAL A 56 -12.508 1.885 1.941 1.00 64.15 C ATOM 950 CG1 VAL A 56 -13.693 0.910 1.814 1.00 14.52 C ATOM 951 CG2 VAL A 56 -11.784 2.041 0.582 1.00 41.33 C ATOM 0 H VAL A 56 -13.295 4.395 0.781 1.00 1.52 H new ATOM 0 HA VAL A 56 -13.556 3.094 3.419 1.00 43.41 H new ATOM 0 HB VAL A 56 -11.800 1.461 2.653 1.00 64.15 H new ATOM 0 HG11 VAL A 56 -13.342 -0.038 1.408 1.00 14.52 H new ATOM 0 HG12 VAL A 56 -14.133 0.743 2.797 1.00 14.52 H new ATOM 0 HG13 VAL A 56 -14.444 1.335 1.148 1.00 14.52 H new ATOM 0 HG21 VAL A 56 -11.490 1.059 0.211 1.00 41.33 H new ATOM 0 HG22 VAL A 56 -12.455 2.514 -0.135 1.00 41.33 H new ATOM 0 HG23 VAL A 56 -10.896 2.660 0.712 1.00 41.33 H new ATOM 961 N ARG A 57 -11.188 3.888 4.095 1.00 50.04 N ATOM 962 CA ARG A 57 -9.890 4.424 4.521 1.00 43.45 C ATOM 963 C ARG A 57 -8.854 3.299 4.441 1.00 44.32 C ATOM 964 O ARG A 57 -8.981 2.292 5.147 1.00 73.33 O ATOM 965 CB ARG A 57 -9.959 4.996 5.967 1.00 43.31 C ATOM 966 CG ARG A 57 -8.588 5.474 6.508 1.00 64.03 C ATOM 967 CD ARG A 57 -8.653 6.161 7.878 1.00 44.22 C ATOM 968 NE ARG A 57 -7.305 6.574 8.326 1.00 32.42 N ATOM 969 CZ ARG A 57 -6.989 7.749 8.901 1.00 14.25 C ATOM 970 NH1 ARG A 57 -7.918 8.678 9.123 1.00 71.54 N ATOM 971 NH2 ARG A 57 -5.731 7.988 9.241 1.00 40.33 N ATOM 0 H ARG A 57 -11.656 3.333 4.812 1.00 50.04 H new ATOM 0 HA ARG A 57 -9.607 5.246 3.863 1.00 43.45 H new ATOM 0 HB2 ARG A 57 -10.659 5.831 5.986 1.00 43.31 H new ATOM 0 HB3 ARG A 57 -10.357 4.231 6.633 1.00 43.31 H new ATOM 0 HG2 ARG A 57 -7.919 4.616 6.576 1.00 64.03 H new ATOM 0 HG3 ARG A 57 -8.148 6.165 5.789 1.00 64.03 H new ATOM 0 HD2 ARG A 57 -9.305 7.033 7.822 1.00 44.22 H new ATOM 0 HD3 ARG A 57 -9.091 5.482 8.609 1.00 44.22 H new ATOM 0 HE ARG A 57 -6.546 5.907 8.186 1.00 32.42 H new ATOM 0 HH11 ARG A 57 -8.887 8.504 8.856 1.00 71.54 H new ATOM 0 HH12 ARG A 57 -7.660 9.563 9.560 1.00 71.54 H new ATOM 0 HH21 ARG A 57 -5.013 7.285 9.066 1.00 40.33 H new ATOM 0 HH22 ARG A 57 -5.480 8.875 9.677 1.00 40.33 H new ATOM 985 N ILE A 58 -7.860 3.455 3.555 1.00 52.14 N ATOM 986 CA ILE A 58 -6.760 2.491 3.398 1.00 14.01 C ATOM 987 C ILE A 58 -5.475 3.124 3.959 1.00 41.33 C ATOM 988 O ILE A 58 -4.865 3.949 3.295 1.00 75.13 O ATOM 989 CB ILE A 58 -6.543 2.133 1.873 1.00 72.01 C ATOM 990 CG1 ILE A 58 -7.902 1.828 1.164 1.00 31.44 C ATOM 991 CG2 ILE A 58 -5.558 0.947 1.718 1.00 73.41 C ATOM 992 CD1 ILE A 58 -7.812 1.690 -0.347 1.00 31.33 C ATOM 0 H ILE A 58 -7.796 4.255 2.925 1.00 52.14 H new ATOM 0 HA ILE A 58 -7.005 1.575 3.935 1.00 14.01 H new ATOM 0 HB ILE A 58 -6.103 3.003 1.386 1.00 72.01 H new ATOM 0 HG12 ILE A 58 -8.312 0.906 1.576 1.00 31.44 H new ATOM 0 HG13 ILE A 58 -8.607 2.625 1.401 1.00 31.44 H new ATOM 0 HG21 ILE A 58 -5.425 0.720 0.660 1.00 73.41 H new ATOM 0 HG22 ILE A 58 -4.596 1.214 2.155 1.00 73.41 H new ATOM 0 HG23 ILE A 58 -5.959 0.072 2.229 1.00 73.41 H new ATOM 0 HD11 ILE A 58 -8.801 1.479 -0.753 1.00 31.33 H new ATOM 0 HD12 ILE A 58 -7.435 2.619 -0.775 1.00 31.33 H new ATOM 0 HD13 ILE A 58 -7.135 0.873 -0.598 1.00 31.33 H new ATOM 1004 N SER A 59 -5.059 2.736 5.166 1.00 64.14 N ATOM 1005 CA SER A 59 -3.829 3.250 5.788 1.00 15.33 C ATOM 1006 C SER A 59 -2.730 2.181 5.656 1.00 42.20 C ATOM 1007 O SER A 59 -2.763 1.149 6.336 1.00 63.33 O ATOM 1008 CB SER A 59 -4.105 3.619 7.261 1.00 42.20 C ATOM 1009 OG SER A 59 -5.103 4.627 7.359 1.00 20.21 O ATOM 0 H SER A 59 -5.560 2.059 5.741 1.00 64.14 H new ATOM 0 HA SER A 59 -3.490 4.156 5.286 1.00 15.33 H new ATOM 0 HB2 SER A 59 -4.425 2.732 7.807 1.00 42.20 H new ATOM 0 HB3 SER A 59 -3.185 3.967 7.730 1.00 42.20 H new ATOM 0 HG SER A 59 -4.755 5.468 6.995 1.00 20.21 H new ATOM 1015 N ILE A 60 -1.792 2.429 4.731 1.00 24.31 N ATOM 1016 CA ILE A 60 -0.703 1.501 4.387 1.00 32.53 C ATOM 1017 C ILE A 60 0.586 1.928 5.113 1.00 33.51 C ATOM 1018 O ILE A 60 1.148 2.991 4.812 1.00 63.32 O ATOM 1019 CB ILE A 60 -0.456 1.502 2.833 1.00 74.11 C ATOM 1020 CG1 ILE A 60 -1.776 1.192 2.057 1.00 14.53 C ATOM 1021 CG2 ILE A 60 0.676 0.526 2.433 1.00 13.21 C ATOM 1022 CD1 ILE A 60 -1.677 1.341 0.544 1.00 51.24 C ATOM 0 H ILE A 60 -1.767 3.294 4.191 1.00 24.31 H new ATOM 0 HA ILE A 60 -0.984 0.495 4.700 1.00 32.53 H new ATOM 0 HB ILE A 60 -0.130 2.504 2.553 1.00 74.11 H new ATOM 0 HG12 ILE A 60 -2.086 0.173 2.288 1.00 14.53 H new ATOM 0 HG13 ILE A 60 -2.560 1.855 2.423 1.00 14.53 H new ATOM 0 HG21 ILE A 60 0.817 0.555 1.352 1.00 13.21 H new ATOM 0 HG22 ILE A 60 1.602 0.820 2.927 1.00 13.21 H new ATOM 0 HG23 ILE A 60 0.408 -0.486 2.737 1.00 13.21 H new ATOM 0 HD11 ILE A 60 -2.640 1.106 0.091 1.00 51.24 H new ATOM 0 HD12 ILE A 60 -1.401 2.366 0.297 1.00 51.24 H new ATOM 0 HD13 ILE A 60 -0.919 0.658 0.160 1.00 51.24 H new ATOM 1034 N ARG A 61 1.031 1.111 6.080 1.00 44.44 N ATOM 1035 CA ARG A 61 2.278 1.344 6.822 1.00 24.43 C ATOM 1036 C ARG A 61 3.419 0.631 6.090 1.00 75.41 C ATOM 1037 O ARG A 61 3.266 -0.517 5.671 1.00 73.22 O ATOM 1038 CB ARG A 61 2.193 0.809 8.287 1.00 32.24 C ATOM 1039 CG ARG A 61 1.184 1.525 9.220 1.00 25.02 C ATOM 1040 CD ARG A 61 -0.296 1.213 8.913 1.00 12.14 C ATOM 1041 NE ARG A 61 -1.199 1.758 9.948 1.00 73.23 N ATOM 1042 CZ ARG A 61 -1.667 1.075 11.007 1.00 64.35 C ATOM 1043 NH1 ARG A 61 -1.342 -0.202 11.196 1.00 22.45 N ATOM 1044 NH2 ARG A 61 -2.438 1.683 11.888 1.00 52.45 N ATOM 0 H ARG A 61 0.534 0.268 6.369 1.00 44.44 H new ATOM 0 HA ARG A 61 2.454 2.419 6.872 1.00 24.43 H new ATOM 0 HB2 ARG A 61 1.934 -0.249 8.251 1.00 32.24 H new ATOM 0 HB3 ARG A 61 3.184 0.880 8.735 1.00 32.24 H new ATOM 0 HG2 ARG A 61 1.397 1.242 10.251 1.00 25.02 H new ATOM 0 HG3 ARG A 61 1.339 2.601 9.146 1.00 25.02 H new ATOM 0 HD2 ARG A 61 -0.562 1.631 7.942 1.00 12.14 H new ATOM 0 HD3 ARG A 61 -0.433 0.134 8.843 1.00 12.14 H new ATOM 0 HE ARG A 61 -1.491 2.731 9.851 1.00 73.23 H new ATOM 0 HH11 ARG A 61 -0.730 -0.676 10.532 1.00 22.45 H new ATOM 0 HH12 ARG A 61 -1.705 -0.706 12.005 1.00 22.45 H new ATOM 0 HH21 ARG A 61 -2.676 2.667 11.764 1.00 52.45 H new ATOM 0 HH22 ARG A 61 -2.796 1.169 12.693 1.00 52.45 H new ATOM 1058 N VAL A 62 4.537 1.321 5.909 1.00 35.21 N ATOM 1059 CA VAL A 62 5.770 0.741 5.361 1.00 65.11 C ATOM 1060 C VAL A 62 6.772 0.609 6.514 1.00 14.03 C ATOM 1061 O VAL A 62 7.240 1.619 7.051 1.00 4.21 O ATOM 1062 CB VAL A 62 6.306 1.640 4.179 1.00 41.14 C ATOM 1063 CG1 VAL A 62 7.762 1.313 3.763 1.00 24.54 C ATOM 1064 CG2 VAL A 62 5.370 1.490 2.961 1.00 30.23 C ATOM 0 H VAL A 62 4.621 2.311 6.139 1.00 35.21 H new ATOM 0 HA VAL A 62 5.597 -0.248 4.937 1.00 65.11 H new ATOM 0 HB VAL A 62 6.313 2.668 4.541 1.00 41.14 H new ATOM 0 HG11 VAL A 62 8.063 1.969 2.946 1.00 24.54 H new ATOM 0 HG12 VAL A 62 8.426 1.464 4.614 1.00 24.54 H new ATOM 0 HG13 VAL A 62 7.822 0.275 3.436 1.00 24.54 H new ATOM 0 HG21 VAL A 62 5.736 2.109 2.142 1.00 30.23 H new ATOM 0 HG22 VAL A 62 5.348 0.447 2.645 1.00 30.23 H new ATOM 0 HG23 VAL A 62 4.364 1.808 3.234 1.00 30.23 H new ATOM 1074 N LYS A 63 7.063 -0.650 6.916 1.00 65.01 N ATOM 1075 CA LYS A 63 7.935 -0.939 8.059 1.00 53.33 C ATOM 1076 C LYS A 63 9.377 -0.822 7.565 1.00 34.44 C ATOM 1077 O LYS A 63 9.884 -1.711 6.872 1.00 32.13 O ATOM 1078 CB LYS A 63 7.637 -2.363 8.635 1.00 51.44 C ATOM 1079 CG LYS A 63 8.136 -2.654 10.085 1.00 23.31 C ATOM 1080 CD LYS A 63 9.667 -2.889 10.232 1.00 24.50 C ATOM 1081 CE LYS A 63 10.181 -4.110 9.449 1.00 2.11 C ATOM 1082 NZ LYS A 63 11.603 -4.411 9.777 1.00 21.03 N ATOM 0 H LYS A 63 6.698 -1.484 6.455 1.00 65.01 H new ATOM 0 HA LYS A 63 7.760 -0.234 8.872 1.00 53.33 H new ATOM 0 HB2 LYS A 63 6.559 -2.521 8.609 1.00 51.44 H new ATOM 0 HB3 LYS A 63 8.084 -3.100 7.968 1.00 51.44 H new ATOM 0 HG2 LYS A 63 7.852 -1.817 10.723 1.00 23.31 H new ATOM 0 HG3 LYS A 63 7.613 -3.534 10.461 1.00 23.31 H new ATOM 0 HD2 LYS A 63 10.197 -2.000 9.891 1.00 24.50 H new ATOM 0 HD3 LYS A 63 9.907 -3.018 11.288 1.00 24.50 H new ATOM 0 HE2 LYS A 63 9.562 -4.977 9.679 1.00 2.11 H new ATOM 0 HE3 LYS A 63 10.085 -3.924 8.379 1.00 2.11 H new ATOM 0 HZ1 LYS A 63 12.066 -4.843 8.952 1.00 21.03 H new ATOM 0 HZ2 LYS A 63 12.095 -3.530 10.028 1.00 21.03 H new ATOM 0 HZ3 LYS A 63 11.642 -5.070 10.580 1.00 21.03 H new ATOM 1096 N HIS A 64 9.990 0.307 7.899 1.00 24.31 N ATOM 1097 CA HIS A 64 11.333 0.674 7.449 1.00 5.32 C ATOM 1098 C HIS A 64 12.382 -0.254 8.083 1.00 72.25 C ATOM 1099 O HIS A 64 12.626 -0.175 9.292 1.00 61.30 O ATOM 1100 CB HIS A 64 11.580 2.149 7.830 1.00 33.14 C ATOM 1101 CG HIS A 64 10.725 3.141 7.077 1.00 44.10 C ATOM 1102 ND1 HIS A 64 10.677 4.476 7.394 1.00 2.30 N ATOM 1103 CD2 HIS A 64 9.935 2.995 5.994 1.00 64.23 C ATOM 1104 CE1 HIS A 64 9.898 5.098 6.538 1.00 23.02 C ATOM 1105 NE2 HIS A 64 9.438 4.223 5.668 1.00 63.44 N ATOM 0 H HIS A 64 9.561 1.009 8.502 1.00 24.31 H new ATOM 0 HA HIS A 64 11.417 0.561 6.368 1.00 5.32 H new ATOM 0 HB2 HIS A 64 11.400 2.270 8.898 1.00 33.14 H new ATOM 0 HB3 HIS A 64 12.629 2.386 7.655 1.00 33.14 H new ATOM 0 HD1 HIS A 64 11.169 4.916 8.172 1.00 2.30 H new ATOM 0 HD2 HIS A 64 9.732 2.069 5.476 1.00 64.23 H new ATOM 0 HE1 HIS A 64 9.672 6.154 6.547 1.00 23.02 H new ATOM 1114 N SER A 65 12.965 -1.138 7.250 1.00 11.24 N ATOM 1115 CA SER A 65 13.891 -2.193 7.689 1.00 3.44 C ATOM 1116 C SER A 65 15.135 -1.598 8.377 1.00 32.23 C ATOM 1117 O SER A 65 15.402 -1.885 9.551 1.00 74.33 O ATOM 1118 CB SER A 65 14.288 -3.076 6.477 1.00 54.43 C ATOM 1119 OG SER A 65 15.186 -4.110 6.852 1.00 74.23 O ATOM 0 H SER A 65 12.803 -1.137 6.243 1.00 11.24 H new ATOM 0 HA SER A 65 13.386 -2.816 8.427 1.00 3.44 H new ATOM 0 HB2 SER A 65 13.392 -3.514 6.037 1.00 54.43 H new ATOM 0 HB3 SER A 65 14.749 -2.454 5.709 1.00 54.43 H new ATOM 0 HG SER A 65 16.106 -3.827 6.667 1.00 74.23 H new ATOM 1125 N ASP A 66 15.863 -0.744 7.644 1.00 33.21 N ATOM 1126 CA ASP A 66 17.124 -0.134 8.115 1.00 42.31 C ATOM 1127 C ASP A 66 16.917 1.350 8.452 1.00 75.41 C ATOM 1128 O ASP A 66 16.181 2.052 7.748 1.00 62.14 O ATOM 1129 CB ASP A 66 18.211 -0.282 7.028 1.00 51.23 C ATOM 1130 CG ASP A 66 18.507 -1.745 6.675 1.00 44.20 C ATOM 1131 OD1 ASP A 66 17.760 -2.344 5.865 1.00 31.21 O ATOM 1132 OD2 ASP A 66 19.484 -2.317 7.215 1.00 35.14 O ATOM 0 H ASP A 66 15.597 -0.453 6.703 1.00 33.21 H new ATOM 0 HA ASP A 66 17.444 -0.650 9.020 1.00 42.31 H new ATOM 0 HB2 ASP A 66 17.893 0.246 6.129 1.00 51.23 H new ATOM 0 HB3 ASP A 66 19.128 0.196 7.371 1.00 51.23 H new ATOM 1137 N ALA A 67 17.603 1.815 9.515 1.00 71.00 N ATOM 1138 CA ALA A 67 17.468 3.185 10.044 1.00 12.01 C ATOM 1139 C ALA A 67 18.128 4.217 9.115 1.00 65.54 C ATOM 1140 O ALA A 67 17.533 5.247 8.812 1.00 2.23 O ATOM 1141 CB ALA A 67 18.056 3.266 11.466 1.00 42.12 C ATOM 0 H ALA A 67 18.271 1.245 10.034 1.00 71.00 H new ATOM 0 HA ALA A 67 16.406 3.426 10.091 1.00 12.01 H new ATOM 0 HB1 ALA A 67 17.951 4.282 11.846 1.00 42.12 H new ATOM 0 HB2 ALA A 67 17.522 2.577 12.120 1.00 42.12 H new ATOM 0 HB3 ALA A 67 19.112 2.996 11.439 1.00 42.12 H new ATOM 1147 N ALA A 68 19.358 3.923 8.664 1.00 41.23 N ATOM 1148 CA ALA A 68 20.122 4.816 7.770 1.00 31.42 C ATOM 1149 C ALA A 68 19.485 4.917 6.376 1.00 21.13 C ATOM 1150 O ALA A 68 19.557 5.965 5.725 1.00 75.42 O ATOM 1151 CB ALA A 68 21.581 4.340 7.665 1.00 25.52 C ATOM 0 H ALA A 68 19.852 3.064 8.906 1.00 41.23 H new ATOM 0 HA ALA A 68 20.103 5.815 8.206 1.00 31.42 H new ATOM 0 HB1 ALA A 68 22.134 5.006 7.003 1.00 25.52 H new ATOM 0 HB2 ALA A 68 22.039 4.349 8.654 1.00 25.52 H new ATOM 0 HB3 ALA A 68 21.605 3.327 7.263 1.00 25.52 H new ATOM 1157 N GLU A 69 18.844 3.822 5.937 1.00 23.14 N ATOM 1158 CA GLU A 69 18.279 3.718 4.581 1.00 74.13 C ATOM 1159 C GLU A 69 16.921 4.414 4.458 1.00 41.43 C ATOM 1160 O GLU A 69 16.622 4.979 3.406 1.00 3.45 O ATOM 1161 CB GLU A 69 18.157 2.233 4.162 1.00 62.55 C ATOM 1162 CG GLU A 69 19.491 1.459 4.182 1.00 3.35 C ATOM 1163 CD GLU A 69 20.581 2.115 3.318 1.00 21.11 C ATOM 1164 OE1 GLU A 69 20.466 2.081 2.072 1.00 5.12 O ATOM 1165 OE2 GLU A 69 21.542 2.696 3.871 1.00 72.43 O ATOM 0 H GLU A 69 18.703 2.988 6.508 1.00 23.14 H new ATOM 0 HA GLU A 69 18.967 4.231 3.908 1.00 74.13 H new ATOM 0 HB2 GLU A 69 17.451 1.736 4.828 1.00 62.55 H new ATOM 0 HB3 GLU A 69 17.736 2.184 3.158 1.00 62.55 H new ATOM 0 HG2 GLU A 69 19.846 1.385 5.210 1.00 3.35 H new ATOM 0 HG3 GLU A 69 19.320 0.442 3.830 1.00 3.35 H new ATOM 1172 N GLU A 70 16.127 4.408 5.545 1.00 52.42 N ATOM 1173 CA GLU A 70 14.690 4.762 5.500 1.00 14.53 C ATOM 1174 C GLU A 70 14.404 6.235 5.149 1.00 2.14 C ATOM 1175 O GLU A 70 13.271 6.567 4.787 1.00 44.14 O ATOM 1176 CB GLU A 70 14.004 4.392 6.817 1.00 54.32 C ATOM 1177 CG GLU A 70 14.432 5.194 8.051 1.00 24.25 C ATOM 1178 CD GLU A 70 13.675 4.766 9.317 1.00 23.11 C ATOM 1179 OE1 GLU A 70 14.065 3.756 9.940 1.00 62.20 O ATOM 1180 OE2 GLU A 70 12.672 5.420 9.686 1.00 30.04 O ATOM 0 H GLU A 70 16.459 4.159 6.477 1.00 52.42 H new ATOM 0 HA GLU A 70 14.274 4.175 4.681 1.00 14.53 H new ATOM 0 HB2 GLU A 70 12.928 4.510 6.688 1.00 54.32 H new ATOM 0 HB3 GLU A 70 14.188 3.336 7.014 1.00 54.32 H new ATOM 0 HG2 GLU A 70 15.503 5.067 8.210 1.00 24.25 H new ATOM 0 HG3 GLU A 70 14.260 6.255 7.869 1.00 24.25 H new ATOM 1187 N LYS A 71 15.419 7.101 5.281 1.00 33.42 N ATOM 1188 CA LYS A 71 15.305 8.525 4.913 1.00 72.35 C ATOM 1189 C LYS A 71 15.225 8.639 3.379 1.00 1.32 C ATOM 1190 O LYS A 71 14.389 9.369 2.834 1.00 12.52 O ATOM 1191 CB LYS A 71 16.506 9.351 5.468 1.00 33.05 C ATOM 1192 CG LYS A 71 16.544 9.515 7.017 1.00 53.51 C ATOM 1193 CD LYS A 71 16.918 8.215 7.777 1.00 71.14 C ATOM 1194 CE LYS A 71 16.753 8.333 9.305 1.00 31.55 C ATOM 1195 NZ LYS A 71 15.329 8.536 9.706 1.00 44.42 N ATOM 0 H LYS A 71 16.336 6.840 5.643 1.00 33.42 H new ATOM 0 HA LYS A 71 14.399 8.937 5.358 1.00 72.35 H new ATOM 0 HB2 LYS A 71 17.432 8.874 5.147 1.00 33.05 H new ATOM 0 HB3 LYS A 71 16.484 10.342 5.015 1.00 33.05 H new ATOM 0 HG2 LYS A 71 17.263 10.293 7.273 1.00 53.51 H new ATOM 0 HG3 LYS A 71 15.568 9.857 7.361 1.00 53.51 H new ATOM 0 HD2 LYS A 71 16.295 7.398 7.413 1.00 71.14 H new ATOM 0 HD3 LYS A 71 17.951 7.954 7.549 1.00 71.14 H new ATOM 0 HE2 LYS A 71 17.137 7.431 9.781 1.00 31.55 H new ATOM 0 HE3 LYS A 71 17.354 9.166 9.670 1.00 31.55 H new ATOM 0 HZ1 LYS A 71 15.187 8.181 10.673 1.00 44.42 H new ATOM 0 HZ2 LYS A 71 15.100 9.550 9.672 1.00 44.42 H new ATOM 0 HZ3 LYS A 71 14.707 8.018 9.053 1.00 44.42 H new ATOM 1209 N LYS A 72 16.102 7.873 2.707 1.00 70.10 N ATOM 1210 CA LYS A 72 16.125 7.739 1.243 1.00 55.43 C ATOM 1211 C LYS A 72 14.914 6.916 0.763 1.00 11.24 C ATOM 1212 O LYS A 72 14.227 7.292 -0.195 1.00 31.21 O ATOM 1213 CB LYS A 72 17.452 7.040 0.815 1.00 42.23 C ATOM 1214 CG LYS A 72 17.620 6.805 -0.710 1.00 51.11 C ATOM 1215 CD LYS A 72 17.796 8.119 -1.506 1.00 12.44 C ATOM 1216 CE LYS A 72 19.119 8.839 -1.174 1.00 64.03 C ATOM 1217 NZ LYS A 72 19.224 10.157 -1.853 1.00 23.44 N ATOM 0 H LYS A 72 16.824 7.323 3.173 1.00 70.10 H new ATOM 0 HA LYS A 72 16.070 8.728 0.788 1.00 55.43 H new ATOM 0 HB2 LYS A 72 18.290 7.642 1.167 1.00 42.23 H new ATOM 0 HB3 LYS A 72 17.516 6.078 1.323 1.00 42.23 H new ATOM 0 HG2 LYS A 72 18.485 6.164 -0.881 1.00 51.11 H new ATOM 0 HG3 LYS A 72 16.748 6.271 -1.088 1.00 51.11 H new ATOM 0 HD2 LYS A 72 17.763 7.900 -2.573 1.00 12.44 H new ATOM 0 HD3 LYS A 72 16.960 8.785 -1.291 1.00 12.44 H new ATOM 0 HE2 LYS A 72 19.194 8.980 -0.096 1.00 64.03 H new ATOM 0 HE3 LYS A 72 19.958 8.210 -1.472 1.00 64.03 H new ATOM 0 HZ1 LYS A 72 20.128 10.606 -1.602 1.00 23.44 H new ATOM 0 HZ2 LYS A 72 19.179 10.021 -2.883 1.00 23.44 H new ATOM 0 HZ3 LYS A 72 18.439 10.767 -1.550 1.00 23.44 H new ATOM 1231 N GLU A 73 14.663 5.808 1.492 1.00 24.31 N ATOM 1232 CA GLU A 73 13.699 4.773 1.107 1.00 62.54 C ATOM 1233 C GLU A 73 12.281 5.333 1.073 1.00 64.51 C ATOM 1234 O GLU A 73 11.636 5.205 0.059 1.00 72.51 O ATOM 1235 CB GLU A 73 13.814 3.542 2.056 1.00 33.04 C ATOM 1236 CG GLU A 73 12.814 2.373 1.786 1.00 71.45 C ATOM 1237 CD GLU A 73 11.637 2.305 2.788 1.00 13.53 C ATOM 1238 OE1 GLU A 73 11.778 1.627 3.835 1.00 45.52 O ATOM 1239 OE2 GLU A 73 10.583 2.936 2.543 1.00 73.11 O ATOM 0 H GLU A 73 15.134 5.611 2.375 1.00 24.31 H new ATOM 0 HA GLU A 73 13.935 4.436 0.098 1.00 62.54 H new ATOM 0 HB2 GLU A 73 14.828 3.149 1.987 1.00 33.04 H new ATOM 0 HB3 GLU A 73 13.673 3.884 3.081 1.00 33.04 H new ATOM 0 HG2 GLU A 73 12.413 2.477 0.778 1.00 71.45 H new ATOM 0 HG3 GLU A 73 13.358 1.429 1.817 1.00 71.45 H new ATOM 1246 N ALA A 74 11.832 5.984 2.167 1.00 40.41 N ATOM 1247 CA ALA A 74 10.444 6.502 2.303 1.00 23.14 C ATOM 1248 C ALA A 74 10.071 7.471 1.166 1.00 11.43 C ATOM 1249 O ALA A 74 9.004 7.346 0.551 1.00 41.43 O ATOM 1250 CB ALA A 74 10.268 7.192 3.662 1.00 14.22 C ATOM 0 H ALA A 74 12.417 6.168 2.982 1.00 40.41 H new ATOM 0 HA ALA A 74 9.771 5.647 2.238 1.00 23.14 H new ATOM 0 HB1 ALA A 74 9.248 7.567 3.750 1.00 14.22 H new ATOM 0 HB2 ALA A 74 10.462 6.477 4.461 1.00 14.22 H new ATOM 0 HB3 ALA A 74 10.969 8.023 3.741 1.00 14.22 H new ATOM 1256 N LYS A 75 10.968 8.447 0.935 1.00 5.13 N ATOM 1257 CA LYS A 75 10.848 9.446 -0.142 1.00 0.13 C ATOM 1258 C LYS A 75 10.714 8.777 -1.529 1.00 12.20 C ATOM 1259 O LYS A 75 9.834 9.123 -2.317 1.00 1.52 O ATOM 1260 CB LYS A 75 12.076 10.393 -0.107 1.00 2.34 C ATOM 1261 CG LYS A 75 12.087 11.495 -1.201 1.00 30.54 C ATOM 1262 CD LYS A 75 13.243 12.514 -1.014 1.00 12.02 C ATOM 1263 CE LYS A 75 13.098 13.341 0.280 1.00 21.34 C ATOM 1264 NZ LYS A 75 14.260 14.238 0.513 1.00 31.21 N ATOM 0 H LYS A 75 11.809 8.565 1.500 1.00 5.13 H new ATOM 0 HA LYS A 75 9.939 10.024 0.024 1.00 0.13 H new ATOM 0 HB2 LYS A 75 12.118 10.873 0.871 1.00 2.34 H new ATOM 0 HB3 LYS A 75 12.981 9.794 -0.207 1.00 2.34 H new ATOM 0 HG2 LYS A 75 12.176 11.027 -2.181 1.00 30.54 H new ATOM 0 HG3 LYS A 75 11.135 12.025 -1.186 1.00 30.54 H new ATOM 0 HD2 LYS A 75 14.194 11.981 -0.996 1.00 12.02 H new ATOM 0 HD3 LYS A 75 13.271 13.188 -1.871 1.00 12.02 H new ATOM 0 HE2 LYS A 75 12.187 13.937 0.227 1.00 21.34 H new ATOM 0 HE3 LYS A 75 12.988 12.666 1.129 1.00 21.34 H new ATOM 0 HZ1 LYS A 75 14.115 14.772 1.394 1.00 31.21 H new ATOM 0 HZ2 LYS A 75 15.127 13.669 0.591 1.00 31.21 H new ATOM 0 HZ3 LYS A 75 14.352 14.901 -0.283 1.00 31.21 H new ATOM 1278 N LYS A 76 11.586 7.797 -1.799 1.00 42.32 N ATOM 1279 CA LYS A 76 11.641 7.094 -3.096 1.00 34.11 C ATOM 1280 C LYS A 76 10.519 6.021 -3.206 1.00 61.52 C ATOM 1281 O LYS A 76 10.100 5.650 -4.310 1.00 21.23 O ATOM 1282 CB LYS A 76 13.048 6.469 -3.268 1.00 42.44 C ATOM 1283 CG LYS A 76 13.299 5.816 -4.639 1.00 31.24 C ATOM 1284 CD LYS A 76 14.725 5.239 -4.774 1.00 23.13 C ATOM 1285 CE LYS A 76 14.909 4.415 -6.055 1.00 34.44 C ATOM 1286 NZ LYS A 76 16.233 3.745 -6.106 1.00 44.15 N ATOM 0 H LYS A 76 12.277 7.465 -1.125 1.00 42.32 H new ATOM 0 HA LYS A 76 11.467 7.807 -3.902 1.00 34.11 H new ATOM 0 HB2 LYS A 76 13.797 7.244 -3.108 1.00 42.44 H new ATOM 0 HB3 LYS A 76 13.195 5.719 -2.491 1.00 42.44 H new ATOM 0 HG2 LYS A 76 12.573 5.018 -4.795 1.00 31.24 H new ATOM 0 HG3 LYS A 76 13.135 6.554 -5.424 1.00 31.24 H new ATOM 0 HD2 LYS A 76 15.446 6.056 -4.765 1.00 23.13 H new ATOM 0 HD3 LYS A 76 14.943 4.613 -3.909 1.00 23.13 H new ATOM 0 HE2 LYS A 76 14.121 3.664 -6.118 1.00 34.44 H new ATOM 0 HE3 LYS A 76 14.799 5.066 -6.922 1.00 34.44 H new ATOM 0 HZ1 LYS A 76 16.313 3.200 -6.988 1.00 44.15 H new ATOM 0 HZ2 LYS A 76 16.986 4.461 -6.072 1.00 44.15 H new ATOM 0 HZ3 LYS A 76 16.329 3.103 -5.293 1.00 44.15 H new ATOM 1300 N PHE A 77 10.017 5.566 -2.045 1.00 32.51 N ATOM 1301 CA PHE A 77 8.952 4.546 -1.950 1.00 35.23 C ATOM 1302 C PHE A 77 7.587 5.221 -2.148 1.00 33.43 C ATOM 1303 O PHE A 77 6.614 4.562 -2.486 1.00 32.20 O ATOM 1304 CB PHE A 77 9.014 3.779 -0.589 1.00 63.02 C ATOM 1305 CG PHE A 77 8.370 2.386 -0.611 1.00 23.45 C ATOM 1306 CD1 PHE A 77 7.015 2.209 -0.335 1.00 21.12 C ATOM 1307 CD2 PHE A 77 9.125 1.251 -0.925 1.00 72.23 C ATOM 1308 CE1 PHE A 77 6.438 0.952 -0.373 1.00 23.10 C ATOM 1309 CE2 PHE A 77 8.541 -0.003 -0.964 1.00 63.04 C ATOM 1310 CZ PHE A 77 7.200 -0.148 -0.686 1.00 1.12 C ATOM 0 H PHE A 77 10.341 5.898 -1.136 1.00 32.51 H new ATOM 0 HA PHE A 77 9.101 3.805 -2.735 1.00 35.23 H new ATOM 0 HB2 PHE A 77 10.058 3.678 -0.291 1.00 63.02 H new ATOM 0 HB3 PHE A 77 8.521 4.381 0.175 1.00 63.02 H new ATOM 0 HD1 PHE A 77 6.406 3.066 -0.088 1.00 21.12 H new ATOM 0 HD2 PHE A 77 10.178 1.355 -1.140 1.00 72.23 H new ATOM 0 HE1 PHE A 77 5.386 0.835 -0.156 1.00 23.10 H new ATOM 0 HE2 PHE A 77 9.137 -0.868 -1.213 1.00 63.04 H new ATOM 0 HZ PHE A 77 6.746 -1.128 -0.714 1.00 1.12 H new ATOM 1320 N ALA A 78 7.542 6.547 -1.909 1.00 23.54 N ATOM 1321 CA ALA A 78 6.385 7.390 -2.263 1.00 1.42 C ATOM 1322 C ALA A 78 6.131 7.326 -3.782 1.00 42.32 C ATOM 1323 O ALA A 78 4.983 7.320 -4.229 1.00 35.44 O ATOM 1324 CB ALA A 78 6.621 8.838 -1.796 1.00 73.20 C ATOM 0 H ALA A 78 8.304 7.061 -1.467 1.00 23.54 H new ATOM 0 HA ALA A 78 5.497 7.014 -1.755 1.00 1.42 H new ATOM 0 HB1 ALA A 78 5.760 9.451 -2.063 1.00 73.20 H new ATOM 0 HB2 ALA A 78 6.757 8.854 -0.715 1.00 73.20 H new ATOM 0 HB3 ALA A 78 7.513 9.235 -2.280 1.00 73.20 H new ATOM 1330 N ALA A 79 7.238 7.250 -4.553 1.00 50.22 N ATOM 1331 CA ALA A 79 7.210 7.099 -6.016 1.00 41.22 C ATOM 1332 C ALA A 79 6.824 5.660 -6.425 1.00 53.01 C ATOM 1333 O ALA A 79 6.129 5.465 -7.424 1.00 15.03 O ATOM 1334 CB ALA A 79 8.574 7.489 -6.602 1.00 22.23 C ATOM 0 H ALA A 79 8.182 7.293 -4.169 1.00 50.22 H new ATOM 0 HA ALA A 79 6.447 7.765 -6.419 1.00 41.22 H new ATOM 0 HB1 ALA A 79 8.550 7.376 -7.686 1.00 22.23 H new ATOM 0 HB2 ALA A 79 8.795 8.526 -6.350 1.00 22.23 H new ATOM 0 HB3 ALA A 79 9.347 6.842 -6.187 1.00 22.23 H new ATOM 1340 N ILE A 80 7.303 4.659 -5.645 1.00 11.41 N ATOM 1341 CA ILE A 80 6.961 3.226 -5.835 1.00 42.13 C ATOM 1342 C ILE A 80 5.447 3.002 -5.637 1.00 54.31 C ATOM 1343 O ILE A 80 4.805 2.318 -6.435 1.00 0.44 O ATOM 1344 CB ILE A 80 7.804 2.316 -4.846 1.00 15.12 C ATOM 1345 CG1 ILE A 80 9.322 2.349 -5.221 1.00 34.22 C ATOM 1346 CG2 ILE A 80 7.289 0.853 -4.767 1.00 24.32 C ATOM 1347 CD1 ILE A 80 9.645 1.833 -6.618 1.00 51.30 C ATOM 0 H ILE A 80 7.939 4.823 -4.864 1.00 11.41 H new ATOM 0 HA ILE A 80 7.216 2.941 -6.856 1.00 42.13 H new ATOM 0 HB ILE A 80 7.672 2.741 -3.851 1.00 15.12 H new ATOM 0 HG12 ILE A 80 9.681 3.375 -5.135 1.00 34.22 H new ATOM 0 HG13 ILE A 80 9.875 1.756 -4.493 1.00 34.22 H new ATOM 0 HG21 ILE A 80 7.910 0.286 -4.074 1.00 24.32 H new ATOM 0 HG22 ILE A 80 6.257 0.849 -4.417 1.00 24.32 H new ATOM 0 HG23 ILE A 80 7.338 0.396 -5.755 1.00 24.32 H new ATOM 0 HD11 ILE A 80 10.720 1.894 -6.789 1.00 51.30 H new ATOM 0 HD12 ILE A 80 9.322 0.796 -6.707 1.00 51.30 H new ATOM 0 HD13 ILE A 80 9.125 2.440 -7.359 1.00 51.30 H new ATOM 1359 N LEU A 81 4.901 3.632 -4.587 1.00 12.51 N ATOM 1360 CA LEU A 81 3.470 3.609 -4.263 1.00 32.20 C ATOM 1361 C LEU A 81 2.669 4.363 -5.335 1.00 1.22 C ATOM 1362 O LEU A 81 1.604 3.915 -5.726 1.00 11.14 O ATOM 1363 CB LEU A 81 3.238 4.233 -2.858 1.00 35.54 C ATOM 1364 CG LEU A 81 3.695 3.353 -1.651 1.00 25.42 C ATOM 1365 CD1 LEU A 81 3.829 4.188 -0.366 1.00 72.00 C ATOM 1366 CD2 LEU A 81 2.739 2.157 -1.436 1.00 51.21 C ATOM 0 H LEU A 81 5.453 4.181 -3.928 1.00 12.51 H new ATOM 0 HA LEU A 81 3.123 2.576 -4.246 1.00 32.20 H new ATOM 0 HB2 LEU A 81 3.765 5.186 -2.811 1.00 35.54 H new ATOM 0 HB3 LEU A 81 2.176 4.450 -2.746 1.00 35.54 H new ATOM 0 HG LEU A 81 4.681 2.955 -1.892 1.00 25.42 H new ATOM 0 HD11 LEU A 81 4.148 3.545 0.454 1.00 72.00 H new ATOM 0 HD12 LEU A 81 4.567 4.975 -0.519 1.00 72.00 H new ATOM 0 HD13 LEU A 81 2.866 4.636 -0.121 1.00 72.00 H new ATOM 0 HD21 LEU A 81 3.084 1.563 -0.589 1.00 51.21 H new ATOM 0 HD22 LEU A 81 1.733 2.527 -1.235 1.00 51.21 H new ATOM 0 HD23 LEU A 81 2.725 1.537 -2.332 1.00 51.21 H new ATOM 1378 N ASN A 82 3.229 5.492 -5.816 1.00 51.03 N ATOM 1379 CA ASN A 82 2.605 6.340 -6.853 1.00 73.51 C ATOM 1380 C ASN A 82 2.449 5.567 -8.179 1.00 32.30 C ATOM 1381 O ASN A 82 1.466 5.767 -8.909 1.00 72.42 O ATOM 1382 CB ASN A 82 3.438 7.638 -7.040 1.00 54.11 C ATOM 1383 CG ASN A 82 2.981 8.508 -8.210 1.00 4.43 C ATOM 1384 OD1 ASN A 82 3.556 8.462 -9.298 1.00 32.34 O ATOM 1385 ND2 ASN A 82 1.921 9.269 -8.010 1.00 63.24 N ATOM 0 H ASN A 82 4.131 5.843 -5.494 1.00 51.03 H new ATOM 0 HA ASN A 82 1.603 6.620 -6.528 1.00 73.51 H new ATOM 0 HB2 ASN A 82 3.387 8.225 -6.123 1.00 54.11 H new ATOM 0 HB3 ASN A 82 4.484 7.368 -7.188 1.00 54.11 H new ATOM 0 HD21 ASN A 82 1.554 9.843 -8.770 1.00 63.24 H new ATOM 0 HD22 ASN A 82 1.469 9.283 -7.096 1.00 63.24 H new ATOM 1392 N LYS A 83 3.429 4.682 -8.472 1.00 33.25 N ATOM 1393 CA LYS A 83 3.346 3.744 -9.608 1.00 33.30 C ATOM 1394 C LYS A 83 2.152 2.802 -9.433 1.00 20.11 C ATOM 1395 O LYS A 83 1.314 2.703 -10.316 1.00 62.42 O ATOM 1396 CB LYS A 83 4.644 2.903 -9.749 1.00 10.44 C ATOM 1397 CG LYS A 83 5.881 3.670 -10.250 1.00 25.24 C ATOM 1398 CD LYS A 83 5.668 4.310 -11.644 1.00 73.02 C ATOM 1399 CE LYS A 83 6.974 4.864 -12.245 1.00 54.12 C ATOM 1400 NZ LYS A 83 7.683 5.791 -11.322 1.00 51.34 N ATOM 0 H LYS A 83 4.290 4.600 -7.932 1.00 33.25 H new ATOM 0 HA LYS A 83 3.218 4.338 -10.513 1.00 33.30 H new ATOM 0 HB2 LYS A 83 4.879 2.464 -8.779 1.00 10.44 H new ATOM 0 HB3 LYS A 83 4.448 2.078 -10.433 1.00 10.44 H new ATOM 0 HG2 LYS A 83 6.134 4.450 -9.532 1.00 25.24 H new ATOM 0 HG3 LYS A 83 6.731 2.989 -10.294 1.00 25.24 H new ATOM 0 HD2 LYS A 83 5.247 3.567 -12.321 1.00 73.02 H new ATOM 0 HD3 LYS A 83 4.939 5.116 -11.563 1.00 73.02 H new ATOM 0 HE2 LYS A 83 7.634 4.034 -12.497 1.00 54.12 H new ATOM 0 HE3 LYS A 83 6.748 5.386 -13.175 1.00 54.12 H new ATOM 0 HZ1 LYS A 83 8.498 6.212 -11.812 1.00 51.34 H new ATOM 0 HZ2 LYS A 83 7.033 6.545 -11.020 1.00 51.34 H new ATOM 0 HZ3 LYS A 83 8.014 5.265 -10.488 1.00 51.34 H new ATOM 1414 N VAL A 84 2.077 2.173 -8.245 1.00 52.44 N ATOM 1415 CA VAL A 84 1.086 1.130 -7.921 1.00 2.33 C ATOM 1416 C VAL A 84 -0.341 1.688 -8.016 1.00 21.43 C ATOM 1417 O VAL A 84 -1.208 1.083 -8.636 1.00 55.25 O ATOM 1418 CB VAL A 84 1.359 0.571 -6.475 1.00 24.15 C ATOM 1419 CG1 VAL A 84 0.247 -0.388 -5.980 1.00 0.14 C ATOM 1420 CG2 VAL A 84 2.739 -0.111 -6.429 1.00 61.11 C ATOM 0 H VAL A 84 2.712 2.378 -7.473 1.00 52.44 H new ATOM 0 HA VAL A 84 1.181 0.319 -8.643 1.00 2.33 H new ATOM 0 HB VAL A 84 1.353 1.420 -5.791 1.00 24.15 H new ATOM 0 HG11 VAL A 84 0.490 -0.741 -4.978 1.00 0.14 H new ATOM 0 HG12 VAL A 84 -0.706 0.141 -5.957 1.00 0.14 H new ATOM 0 HG13 VAL A 84 0.173 -1.239 -6.657 1.00 0.14 H new ATOM 0 HG21 VAL A 84 2.922 -0.496 -5.426 1.00 61.11 H new ATOM 0 HG22 VAL A 84 2.762 -0.934 -7.143 1.00 61.11 H new ATOM 0 HG23 VAL A 84 3.512 0.614 -6.686 1.00 61.11 H new ATOM 1430 N PHE A 85 -0.535 2.869 -7.412 1.00 41.10 N ATOM 1431 CA PHE A 85 -1.823 3.572 -7.397 1.00 20.44 C ATOM 1432 C PHE A 85 -2.265 3.922 -8.832 1.00 24.14 C ATOM 1433 O PHE A 85 -3.440 3.845 -9.144 1.00 64.03 O ATOM 1434 CB PHE A 85 -1.752 4.841 -6.498 1.00 64.22 C ATOM 1435 CG PHE A 85 -1.403 4.568 -5.024 1.00 75.32 C ATOM 1436 CD1 PHE A 85 -1.774 3.373 -4.391 1.00 64.34 C ATOM 1437 CD2 PHE A 85 -0.689 5.509 -4.273 1.00 0.12 C ATOM 1438 CE1 PHE A 85 -1.440 3.135 -3.068 1.00 21.33 C ATOM 1439 CE2 PHE A 85 -0.362 5.267 -2.951 1.00 73.23 C ATOM 1440 CZ PHE A 85 -0.731 4.080 -2.352 1.00 5.32 C ATOM 0 H PHE A 85 0.205 3.366 -6.916 1.00 41.10 H new ATOM 0 HA PHE A 85 -2.574 2.908 -6.968 1.00 20.44 H new ATOM 0 HB2 PHE A 85 -1.009 5.522 -6.913 1.00 64.22 H new ATOM 0 HB3 PHE A 85 -2.713 5.354 -6.540 1.00 64.22 H new ATOM 0 HD1 PHE A 85 -2.328 2.628 -4.943 1.00 64.34 H new ATOM 0 HD2 PHE A 85 -0.389 6.439 -4.733 1.00 0.12 H new ATOM 0 HE1 PHE A 85 -1.734 2.209 -2.596 1.00 21.33 H new ATOM 0 HE2 PHE A 85 0.183 6.009 -2.386 1.00 73.23 H new ATOM 0 HZ PHE A 85 -0.465 3.890 -1.323 1.00 5.32 H new ATOM 1450 N ALA A 86 -1.299 4.254 -9.710 1.00 4.34 N ATOM 1451 CA ALA A 86 -1.569 4.532 -11.139 1.00 73.13 C ATOM 1452 C ALA A 86 -1.818 3.226 -11.930 1.00 55.33 C ATOM 1453 O ALA A 86 -2.571 3.217 -12.909 1.00 15.44 O ATOM 1454 CB ALA A 86 -0.410 5.319 -11.757 1.00 62.25 C ATOM 0 H ALA A 86 -0.315 4.337 -9.454 1.00 4.34 H new ATOM 0 HA ALA A 86 -2.475 5.135 -11.197 1.00 73.13 H new ATOM 0 HB1 ALA A 86 -0.623 5.516 -12.808 1.00 62.25 H new ATOM 0 HB2 ALA A 86 -0.289 6.264 -11.228 1.00 62.25 H new ATOM 0 HB3 ALA A 86 0.509 4.738 -11.676 1.00 62.25 H new ATOM 1460 N GLU A 87 -1.198 2.123 -11.482 1.00 51.12 N ATOM 1461 CA GLU A 87 -1.356 0.797 -12.116 1.00 54.02 C ATOM 1462 C GLU A 87 -2.698 0.155 -11.688 1.00 35.35 C ATOM 1463 O GLU A 87 -3.146 -0.821 -12.298 1.00 35.31 O ATOM 1464 CB GLU A 87 -0.145 -0.118 -11.761 1.00 72.22 C ATOM 1465 CG GLU A 87 1.209 0.346 -12.357 1.00 3.33 C ATOM 1466 CD GLU A 87 2.413 -0.542 -11.957 1.00 60.31 C ATOM 1467 OE1 GLU A 87 2.681 -1.551 -12.664 1.00 4.55 O ATOM 1468 OE2 GLU A 87 3.088 -0.247 -10.942 1.00 33.54 O ATOM 0 H GLU A 87 -0.575 2.121 -10.674 1.00 51.12 H new ATOM 0 HA GLU A 87 -1.376 0.919 -13.199 1.00 54.02 H new ATOM 0 HB2 GLU A 87 -0.051 -0.170 -10.676 1.00 72.22 H new ATOM 0 HB3 GLU A 87 -0.354 -1.129 -12.112 1.00 72.22 H new ATOM 0 HG2 GLU A 87 1.129 0.363 -13.444 1.00 3.33 H new ATOM 0 HG3 GLU A 87 1.403 1.369 -12.036 1.00 3.33 H new ATOM 1475 N LEU A 88 -3.338 0.723 -10.639 1.00 61.11 N ATOM 1476 CA LEU A 88 -4.648 0.260 -10.124 1.00 53.13 C ATOM 1477 C LEU A 88 -5.764 1.284 -10.462 1.00 11.31 C ATOM 1478 O LEU A 88 -6.942 0.921 -10.542 1.00 3.45 O ATOM 1479 CB LEU A 88 -4.576 0.018 -8.595 1.00 3.45 C ATOM 1480 CG LEU A 88 -3.481 -0.987 -8.107 1.00 1.21 C ATOM 1481 CD1 LEU A 88 -3.582 -1.237 -6.596 1.00 2.11 C ATOM 1482 CD2 LEU A 88 -3.507 -2.306 -8.900 1.00 23.43 C ATOM 0 H LEU A 88 -2.959 1.518 -10.124 1.00 61.11 H new ATOM 0 HA LEU A 88 -4.892 -0.684 -10.611 1.00 53.13 H new ATOM 0 HB2 LEU A 88 -4.405 0.976 -8.104 1.00 3.45 H new ATOM 0 HB3 LEU A 88 -5.548 -0.344 -8.259 1.00 3.45 H new ATOM 0 HG LEU A 88 -2.515 -0.521 -8.301 1.00 1.21 H new ATOM 0 HD11 LEU A 88 -2.807 -1.940 -6.291 1.00 2.11 H new ATOM 0 HD12 LEU A 88 -3.450 -0.296 -6.062 1.00 2.11 H new ATOM 0 HD13 LEU A 88 -4.562 -1.653 -6.361 1.00 2.11 H new ATOM 0 HD21 LEU A 88 -2.729 -2.971 -8.525 1.00 23.43 H new ATOM 0 HD22 LEU A 88 -4.480 -2.783 -8.782 1.00 23.43 H new ATOM 0 HD23 LEU A 88 -3.330 -2.099 -9.956 1.00 23.43 H new ATOM 1494 N GLY A 89 -5.377 2.563 -10.647 1.00 2.33 N ATOM 1495 CA GLY A 89 -6.305 3.633 -11.046 1.00 4.35 C ATOM 1496 C GLY A 89 -6.424 4.795 -10.057 1.00 23.54 C ATOM 1497 O GLY A 89 -6.899 5.871 -10.445 1.00 51.02 O ATOM 0 H GLY A 89 -4.415 2.879 -10.524 1.00 2.33 H new ATOM 0 HA2 GLY A 89 -5.985 4.029 -12.010 1.00 4.35 H new ATOM 0 HA3 GLY A 89 -7.294 3.199 -11.192 1.00 4.35 H new ATOM 1501 N TYR A 90 -5.987 4.582 -8.793 1.00 52.41 N ATOM 1502 CA TYR A 90 -6.090 5.592 -7.704 1.00 11.34 C ATOM 1503 C TYR A 90 -5.326 6.886 -8.059 1.00 61.53 C ATOM 1504 O TYR A 90 -4.184 6.836 -8.530 1.00 61.22 O ATOM 1505 CB TYR A 90 -5.548 5.023 -6.366 1.00 14.44 C ATOM 1506 CG TYR A 90 -6.181 3.692 -5.938 1.00 74.10 C ATOM 1507 CD1 TYR A 90 -7.558 3.592 -5.727 1.00 11.44 C ATOM 1508 CD2 TYR A 90 -5.407 2.535 -5.776 1.00 14.51 C ATOM 1509 CE1 TYR A 90 -8.137 2.392 -5.365 1.00 21.34 C ATOM 1510 CE2 TYR A 90 -5.987 1.337 -5.420 1.00 3.21 C ATOM 1511 CZ TYR A 90 -7.347 1.270 -5.218 1.00 12.34 C ATOM 1512 OH TYR A 90 -7.919 0.069 -4.883 1.00 62.24 O ATOM 0 H TYR A 90 -5.553 3.708 -8.496 1.00 52.41 H new ATOM 0 HA TYR A 90 -7.147 5.832 -7.589 1.00 11.34 H new ATOM 0 HB2 TYR A 90 -4.470 4.887 -6.454 1.00 14.44 H new ATOM 0 HB3 TYR A 90 -5.713 5.759 -5.579 1.00 14.44 H new ATOM 0 HD1 TYR A 90 -8.179 4.467 -5.849 1.00 11.44 H new ATOM 0 HD2 TYR A 90 -4.340 2.583 -5.933 1.00 14.51 H new ATOM 0 HE1 TYR A 90 -9.202 2.332 -5.198 1.00 21.34 H new ATOM 0 HE2 TYR A 90 -5.377 0.454 -5.300 1.00 3.21 H new ATOM 0 HH TYR A 90 -7.818 -0.084 -3.920 1.00 62.24 H new ATOM 1522 N ASN A 91 -5.971 8.031 -7.789 1.00 10.31 N ATOM 1523 CA ASN A 91 -5.490 9.368 -8.202 1.00 52.13 C ATOM 1524 C ASN A 91 -4.770 10.095 -7.055 1.00 64.22 C ATOM 1525 O ASN A 91 -4.844 9.677 -5.897 1.00 10.02 O ATOM 1526 CB ASN A 91 -6.685 10.215 -8.715 1.00 21.51 C ATOM 1527 CG ASN A 91 -7.278 9.660 -10.010 1.00 40.41 C ATOM 1528 OD1 ASN A 91 -6.829 9.996 -11.104 1.00 4.32 O ATOM 1529 ND2 ASN A 91 -8.283 8.806 -9.903 1.00 24.23 N ATOM 0 H ASN A 91 -6.850 8.060 -7.273 1.00 10.31 H new ATOM 0 HA ASN A 91 -4.765 9.235 -9.005 1.00 52.13 H new ATOM 0 HB2 ASN A 91 -7.459 10.248 -7.949 1.00 21.51 H new ATOM 0 HB3 ASN A 91 -6.356 11.241 -8.880 1.00 21.51 H new ATOM 0 HD21 ASN A 91 -8.706 8.408 -10.742 1.00 24.23 H new ATOM 0 HD22 ASN A 91 -8.635 8.545 -8.982 1.00 24.23 H new ATOM 1536 N ASP A 92 -4.083 11.197 -7.419 1.00 64.30 N ATOM 1537 CA ASP A 92 -3.297 12.060 -6.495 1.00 63.42 C ATOM 1538 C ASP A 92 -4.145 12.605 -5.334 1.00 14.34 C ATOM 1539 O ASP A 92 -3.674 12.698 -4.192 1.00 42.42 O ATOM 1540 CB ASP A 92 -2.697 13.257 -7.282 1.00 3.21 C ATOM 1541 CG ASP A 92 -1.710 12.829 -8.380 1.00 73.51 C ATOM 1542 OD1 ASP A 92 -2.158 12.390 -9.465 1.00 43.11 O ATOM 1543 OD2 ASP A 92 -0.485 12.940 -8.173 1.00 41.42 O ATOM 0 H ASP A 92 -4.055 11.525 -8.385 1.00 64.30 H new ATOM 0 HA ASP A 92 -2.508 11.439 -6.071 1.00 63.42 H new ATOM 0 HB2 ASP A 92 -3.508 13.828 -7.734 1.00 3.21 H new ATOM 0 HB3 ASP A 92 -2.188 13.923 -6.585 1.00 3.21 H new ATOM 1548 N SER A 93 -5.393 12.975 -5.665 1.00 4.13 N ATOM 1549 CA SER A 93 -6.382 13.506 -4.711 1.00 43.02 C ATOM 1550 C SER A 93 -6.683 12.502 -3.575 1.00 54.24 C ATOM 1551 O SER A 93 -7.019 12.899 -2.454 1.00 23.12 O ATOM 1552 CB SER A 93 -7.669 13.864 -5.486 1.00 34.42 C ATOM 1553 OG SER A 93 -8.147 12.748 -6.235 1.00 35.23 O ATOM 0 H SER A 93 -5.749 12.913 -6.619 1.00 4.13 H new ATOM 0 HA SER A 93 -5.973 14.398 -4.236 1.00 43.02 H new ATOM 0 HB2 SER A 93 -8.438 14.193 -4.787 1.00 34.42 H new ATOM 0 HB3 SER A 93 -7.472 14.699 -6.158 1.00 34.42 H new ATOM 0 HG SER A 93 -8.963 13.001 -6.715 1.00 35.23 H new ATOM 1559 N ASN A 94 -6.549 11.203 -3.888 1.00 10.12 N ATOM 1560 CA ASN A 94 -6.792 10.102 -2.936 1.00 11.12 C ATOM 1561 C ASN A 94 -5.554 9.818 -2.065 1.00 64.33 C ATOM 1562 O ASN A 94 -5.694 9.329 -0.941 1.00 22.21 O ATOM 1563 CB ASN A 94 -7.191 8.826 -3.727 1.00 12.14 C ATOM 1564 CG ASN A 94 -8.481 8.993 -4.537 1.00 54.13 C ATOM 1565 OD1 ASN A 94 -8.548 8.615 -5.713 1.00 72.22 O ATOM 1566 ND2 ASN A 94 -9.534 9.521 -3.913 1.00 23.30 N ATOM 0 H ASN A 94 -6.267 10.883 -4.815 1.00 10.12 H new ATOM 0 HA ASN A 94 -7.600 10.397 -2.267 1.00 11.12 H new ATOM 0 HB2 ASN A 94 -6.379 8.557 -4.402 1.00 12.14 H new ATOM 0 HB3 ASN A 94 -7.313 7.998 -3.029 1.00 12.14 H new ATOM 0 HD21 ASN A 94 -10.421 9.621 -4.406 1.00 23.30 H new ATOM 0 HD22 ASN A 94 -9.452 9.825 -2.943 1.00 23.30 H new ATOM 1573 N VAL A 95 -4.351 10.134 -2.583 1.00 30.31 N ATOM 1574 CA VAL A 95 -3.078 9.824 -1.894 1.00 74.25 C ATOM 1575 C VAL A 95 -2.771 10.931 -0.864 1.00 1.03 C ATOM 1576 O VAL A 95 -2.421 12.051 -1.242 1.00 21.00 O ATOM 1577 CB VAL A 95 -1.886 9.700 -2.923 1.00 71.40 C ATOM 1578 CG1 VAL A 95 -0.563 9.282 -2.225 1.00 32.33 C ATOM 1579 CG2 VAL A 95 -2.241 8.726 -4.074 1.00 31.25 C ATOM 0 H VAL A 95 -4.232 10.606 -3.480 1.00 30.31 H new ATOM 0 HA VAL A 95 -3.184 8.865 -1.386 1.00 74.25 H new ATOM 0 HB VAL A 95 -1.727 10.688 -3.355 1.00 71.40 H new ATOM 0 HG11 VAL A 95 0.232 9.208 -2.967 1.00 32.33 H new ATOM 0 HG12 VAL A 95 -0.294 10.029 -1.478 1.00 32.33 H new ATOM 0 HG13 VAL A 95 -0.697 8.315 -1.739 1.00 32.33 H new ATOM 0 HG21 VAL A 95 -1.402 8.660 -4.767 1.00 31.25 H new ATOM 0 HG22 VAL A 95 -2.450 7.738 -3.663 1.00 31.25 H new ATOM 0 HG23 VAL A 95 -3.121 9.093 -4.603 1.00 31.25 H new ATOM 1589 N THR A 96 -2.971 10.630 0.430 1.00 1.13 N ATOM 1590 CA THR A 96 -2.700 11.571 1.536 1.00 13.34 C ATOM 1591 C THR A 96 -1.908 10.866 2.654 1.00 23.05 C ATOM 1592 O THR A 96 -2.424 9.970 3.315 1.00 3.02 O ATOM 1593 CB THR A 96 -4.043 12.150 2.102 1.00 63.34 C ATOM 1594 OG1 THR A 96 -4.730 12.883 1.064 1.00 52.32 O ATOM 1595 CG2 THR A 96 -3.821 13.062 3.328 1.00 35.32 C ATOM 0 H THR A 96 -3.326 9.726 0.742 1.00 1.13 H new ATOM 0 HA THR A 96 -2.101 12.397 1.151 1.00 13.34 H new ATOM 0 HB THR A 96 -4.650 11.307 2.432 1.00 63.34 H new ATOM 0 HG1 THR A 96 -5.570 13.243 1.419 1.00 52.32 H new ATOM 0 HG21 THR A 96 -4.782 13.437 3.681 1.00 35.32 H new ATOM 0 HG22 THR A 96 -3.339 12.492 4.123 1.00 35.32 H new ATOM 0 HG23 THR A 96 -3.185 13.901 3.047 1.00 35.32 H new ATOM 1603 N TRP A 97 -0.652 11.284 2.850 1.00 20.01 N ATOM 1604 CA TRP A 97 0.224 10.738 3.897 1.00 21.21 C ATOM 1605 C TRP A 97 -0.171 11.305 5.285 1.00 61.42 C ATOM 1606 O TRP A 97 -0.029 12.504 5.543 1.00 22.40 O ATOM 1607 CB TRP A 97 1.704 11.054 3.568 1.00 4.05 C ATOM 1608 CG TRP A 97 2.242 10.303 2.371 1.00 55.20 C ATOM 1609 CD1 TRP A 97 1.979 10.548 1.050 1.00 72.31 C ATOM 1610 CD2 TRP A 97 3.128 9.171 2.396 1.00 13.14 C ATOM 1611 NE1 TRP A 97 2.652 9.652 0.259 1.00 2.42 N ATOM 1612 CE2 TRP A 97 3.360 8.796 1.061 1.00 12.23 C ATOM 1613 CE3 TRP A 97 3.744 8.438 3.425 1.00 40.11 C ATOM 1614 CZ2 TRP A 97 4.186 7.729 0.725 1.00 73.00 C ATOM 1615 CZ3 TRP A 97 4.566 7.381 3.088 1.00 74.05 C ATOM 1616 CH2 TRP A 97 4.776 7.030 1.748 1.00 34.25 C ATOM 0 H TRP A 97 -0.212 12.012 2.287 1.00 20.01 H new ATOM 0 HA TRP A 97 0.103 9.655 3.931 1.00 21.21 H new ATOM 0 HB2 TRP A 97 1.805 12.124 3.388 1.00 4.05 H new ATOM 0 HB3 TRP A 97 2.317 10.818 4.438 1.00 4.05 H new ATOM 0 HD1 TRP A 97 1.335 11.333 0.684 1.00 72.31 H new ATOM 0 HE1 TRP A 97 2.629 9.627 -0.760 1.00 2.42 H new ATOM 0 HE3 TRP A 97 3.577 8.697 4.460 1.00 40.11 H new ATOM 0 HZ2 TRP A 97 4.357 7.459 -0.307 1.00 73.00 H new ATOM 0 HZ3 TRP A 97 5.054 6.817 3.869 1.00 74.05 H new ATOM 0 HH2 TRP A 97 5.416 6.192 1.515 1.00 34.25 H new ATOM 1627 N ASP A 98 -0.692 10.421 6.150 1.00 21.22 N ATOM 1628 CA ASP A 98 -1.126 10.743 7.521 1.00 62.43 C ATOM 1629 C ASP A 98 -0.342 9.867 8.524 1.00 42.23 C ATOM 1630 O ASP A 98 -0.572 8.657 8.594 1.00 64.11 O ATOM 1631 CB ASP A 98 -2.666 10.495 7.631 1.00 64.21 C ATOM 1632 CG ASP A 98 -3.240 10.693 9.052 1.00 43.45 C ATOM 1633 OD1 ASP A 98 -3.600 11.833 9.410 1.00 32.14 O ATOM 1634 OD2 ASP A 98 -3.356 9.707 9.813 1.00 51.32 O ATOM 0 H ASP A 98 -0.827 9.439 5.911 1.00 21.22 H new ATOM 0 HA ASP A 98 -0.923 11.788 7.755 1.00 62.43 H new ATOM 0 HB2 ASP A 98 -3.181 11.169 6.946 1.00 64.21 H new ATOM 0 HB3 ASP A 98 -2.883 9.479 7.302 1.00 64.21 H new ATOM 1639 N GLY A 99 0.623 10.485 9.238 1.00 10.42 N ATOM 1640 CA GLY A 99 1.347 9.837 10.343 1.00 4.20 C ATOM 1641 C GLY A 99 2.355 8.777 9.890 1.00 12.31 C ATOM 1642 O GLY A 99 2.287 7.633 10.348 1.00 51.24 O ATOM 0 H GLY A 99 0.919 11.445 9.062 1.00 10.42 H new ATOM 0 HA2 GLY A 99 1.872 10.601 10.917 1.00 4.20 H new ATOM 0 HA3 GLY A 99 0.625 9.373 11.015 1.00 4.20 H new ATOM 1646 N ASP A 100 3.289 9.171 8.987 1.00 64.30 N ATOM 1647 CA ASP A 100 4.353 8.280 8.411 1.00 22.11 C ATOM 1648 C ASP A 100 3.743 7.074 7.650 1.00 23.44 C ATOM 1649 O ASP A 100 4.405 6.061 7.410 1.00 1.32 O ATOM 1650 CB ASP A 100 5.359 7.808 9.512 1.00 5.24 C ATOM 1651 CG ASP A 100 6.119 8.975 10.174 1.00 12.55 C ATOM 1652 OD1 ASP A 100 7.046 9.532 9.540 1.00 52.33 O ATOM 1653 OD2 ASP A 100 5.798 9.349 11.325 1.00 3.12 O ATOM 0 H ASP A 100 3.333 10.125 8.629 1.00 64.30 H new ATOM 0 HA ASP A 100 4.911 8.872 7.685 1.00 22.11 H new ATOM 0 HB2 ASP A 100 4.817 7.254 10.278 1.00 5.24 H new ATOM 0 HB3 ASP A 100 6.078 7.119 9.068 1.00 5.24 H new ATOM 1658 N THR A 101 2.495 7.254 7.222 1.00 0.23 N ATOM 1659 CA THR A 101 1.645 6.209 6.632 1.00 42.24 C ATOM 1660 C THR A 101 0.892 6.833 5.450 1.00 12.34 C ATOM 1661 O THR A 101 0.477 7.986 5.545 1.00 72.12 O ATOM 1662 CB THR A 101 0.645 5.687 7.729 1.00 33.34 C ATOM 1663 OG1 THR A 101 1.369 4.996 8.768 1.00 43.32 O ATOM 1664 CG2 THR A 101 -0.450 4.762 7.181 1.00 14.12 C ATOM 0 H THR A 101 2.028 8.159 7.276 1.00 0.23 H new ATOM 0 HA THR A 101 2.235 5.363 6.279 1.00 42.24 H new ATOM 0 HB THR A 101 0.145 6.572 8.123 1.00 33.34 H new ATOM 0 HG1 THR A 101 1.725 5.648 9.408 1.00 43.32 H new ATOM 0 HG21 THR A 101 -1.099 4.444 7.997 1.00 14.12 H new ATOM 0 HG22 THR A 101 -1.039 5.297 6.436 1.00 14.12 H new ATOM 0 HG23 THR A 101 0.009 3.887 6.721 1.00 14.12 H new ATOM 1672 N VAL A 102 0.706 6.091 4.345 1.00 0.32 N ATOM 1673 CA VAL A 102 -0.021 6.609 3.170 1.00 42.24 C ATOM 1674 C VAL A 102 -1.498 6.168 3.262 1.00 62.51 C ATOM 1675 O VAL A 102 -1.833 4.984 3.128 1.00 71.43 O ATOM 1676 CB VAL A 102 0.649 6.187 1.800 1.00 51.22 C ATOM 1677 CG1 VAL A 102 0.849 4.665 1.678 1.00 45.23 C ATOM 1678 CG2 VAL A 102 -0.137 6.757 0.590 1.00 52.20 C ATOM 0 H VAL A 102 1.046 5.135 4.239 1.00 0.32 H new ATOM 0 HA VAL A 102 0.028 7.698 3.182 1.00 42.24 H new ATOM 0 HB VAL A 102 1.646 6.628 1.792 1.00 51.22 H new ATOM 0 HG11 VAL A 102 1.312 4.435 0.719 1.00 45.23 H new ATOM 0 HG12 VAL A 102 1.494 4.317 2.485 1.00 45.23 H new ATOM 0 HG13 VAL A 102 -0.117 4.165 1.744 1.00 45.23 H new ATOM 0 HG21 VAL A 102 0.348 6.450 -0.336 1.00 52.20 H new ATOM 0 HG22 VAL A 102 -1.158 6.377 0.608 1.00 52.20 H new ATOM 0 HG23 VAL A 102 -0.154 7.845 0.647 1.00 52.20 H new ATOM 1688 N THR A 103 -2.370 7.137 3.560 1.00 51.15 N ATOM 1689 CA THR A 103 -3.806 6.917 3.718 1.00 23.00 C ATOM 1690 C THR A 103 -4.525 7.309 2.410 1.00 32.53 C ATOM 1691 O THR A 103 -4.600 8.489 2.048 1.00 72.54 O ATOM 1692 CB THR A 103 -4.362 7.718 4.939 1.00 42.22 C ATOM 1693 OG1 THR A 103 -3.675 7.300 6.135 1.00 22.02 O ATOM 1694 CG2 THR A 103 -5.871 7.515 5.128 1.00 25.20 C ATOM 0 H THR A 103 -2.091 8.108 3.700 1.00 51.15 H new ATOM 0 HA THR A 103 -3.991 5.862 3.919 1.00 23.00 H new ATOM 0 HB THR A 103 -4.191 8.777 4.745 1.00 42.22 H new ATOM 0 HG1 THR A 103 -4.124 7.679 6.919 1.00 22.02 H new ATOM 0 HG21 THR A 103 -6.211 8.091 5.988 1.00 25.20 H new ATOM 0 HG22 THR A 103 -6.398 7.851 4.235 1.00 25.20 H new ATOM 0 HG23 THR A 103 -6.078 6.458 5.295 1.00 25.20 H new ATOM 1702 N VAL A 104 -4.991 6.284 1.689 1.00 55.24 N ATOM 1703 CA VAL A 104 -5.683 6.411 0.412 1.00 61.42 C ATOM 1704 C VAL A 104 -7.203 6.424 0.647 1.00 70.45 C ATOM 1705 O VAL A 104 -7.731 5.579 1.390 1.00 14.21 O ATOM 1706 CB VAL A 104 -5.301 5.216 -0.544 1.00 65.43 C ATOM 1707 CG1 VAL A 104 -5.944 5.360 -1.949 1.00 40.50 C ATOM 1708 CG2 VAL A 104 -3.764 5.065 -0.646 1.00 30.50 C ATOM 0 H VAL A 104 -4.891 5.315 1.992 1.00 55.24 H new ATOM 0 HA VAL A 104 -5.380 7.345 -0.060 1.00 61.42 H new ATOM 0 HB VAL A 104 -5.708 4.306 -0.103 1.00 65.43 H new ATOM 0 HG11 VAL A 104 -5.652 4.514 -2.571 1.00 40.50 H new ATOM 0 HG12 VAL A 104 -7.029 5.382 -1.852 1.00 40.50 H new ATOM 0 HG13 VAL A 104 -5.603 6.286 -2.412 1.00 40.50 H new ATOM 0 HG21 VAL A 104 -3.523 4.235 -1.310 1.00 30.50 H new ATOM 0 HG22 VAL A 104 -3.334 5.984 -1.043 1.00 30.50 H new ATOM 0 HG23 VAL A 104 -3.351 4.869 0.344 1.00 30.50 H new ATOM 1718 N GLU A 105 -7.893 7.390 0.028 1.00 53.13 N ATOM 1719 CA GLU A 105 -9.361 7.436 -0.029 1.00 52.31 C ATOM 1720 C GLU A 105 -9.808 6.571 -1.216 1.00 64.15 C ATOM 1721 O GLU A 105 -9.516 6.910 -2.372 1.00 62.21 O ATOM 1722 CB GLU A 105 -9.828 8.903 -0.228 1.00 53.23 C ATOM 1723 CG GLU A 105 -11.354 9.094 -0.415 1.00 42.31 C ATOM 1724 CD GLU A 105 -11.706 10.500 -0.921 1.00 72.22 C ATOM 1725 OE1 GLU A 105 -11.758 10.705 -2.154 1.00 5.53 O ATOM 1726 OE2 GLU A 105 -11.889 11.417 -0.095 1.00 22.14 O ATOM 0 H GLU A 105 -7.444 8.170 -0.452 1.00 53.13 H new ATOM 0 HA GLU A 105 -9.797 7.060 0.896 1.00 52.31 H new ATOM 0 HB2 GLU A 105 -9.508 9.488 0.634 1.00 53.23 H new ATOM 0 HB3 GLU A 105 -9.318 9.314 -1.099 1.00 53.23 H new ATOM 0 HG2 GLU A 105 -11.727 8.352 -1.121 1.00 42.31 H new ATOM 0 HG3 GLU A 105 -11.860 8.914 0.534 1.00 42.31 H new ATOM 1733 N GLY A 106 -10.482 5.448 -0.950 1.00 24.01 N ATOM 1734 CA GLY A 106 -10.902 4.530 -2.012 1.00 2.03 C ATOM 1735 C GLY A 106 -12.409 4.521 -2.225 1.00 23.23 C ATOM 1736 O GLY A 106 -13.176 4.533 -1.260 1.00 60.05 O ATOM 0 H GLY A 106 -10.748 5.154 -0.010 1.00 24.01 H new ATOM 0 HA2 GLY A 106 -10.410 4.810 -2.943 1.00 2.03 H new ATOM 0 HA3 GLY A 106 -10.569 3.522 -1.767 1.00 2.03 H new ATOM 1740 N GLN A 107 -12.825 4.523 -3.494 1.00 21.13 N ATOM 1741 CA GLN A 107 -14.190 4.189 -3.915 1.00 63.03 C ATOM 1742 C GLN A 107 -14.047 3.233 -5.101 1.00 51.13 C ATOM 1743 O GLN A 107 -13.681 3.651 -6.208 1.00 44.03 O ATOM 1744 CB GLN A 107 -15.018 5.446 -4.307 1.00 31.42 C ATOM 1745 CG GLN A 107 -16.480 5.125 -4.708 1.00 24.13 C ATOM 1746 CD GLN A 107 -17.273 6.347 -5.169 1.00 62.15 C ATOM 1747 OE1 GLN A 107 -17.289 6.676 -6.352 1.00 25.20 O ATOM 1748 NE2 GLN A 107 -17.926 7.040 -4.244 1.00 32.23 N ATOM 0 H GLN A 107 -12.212 4.761 -4.273 1.00 21.13 H new ATOM 0 HA GLN A 107 -14.737 3.731 -3.091 1.00 63.03 H new ATOM 0 HB2 GLN A 107 -15.025 6.143 -3.469 1.00 31.42 H new ATOM 0 HB3 GLN A 107 -14.525 5.951 -5.137 1.00 31.42 H new ATOM 0 HG2 GLN A 107 -16.474 4.384 -5.508 1.00 24.13 H new ATOM 0 HG3 GLN A 107 -16.990 4.672 -3.858 1.00 24.13 H new ATOM 0 HE21 GLN A 107 -17.895 6.744 -3.268 1.00 32.23 H new ATOM 0 HE22 GLN A 107 -18.458 7.869 -4.509 1.00 32.23 H new