USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=27 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 45 MET CE :methyl 154:sc= -0.187 (180deg=-0.973) USER MOD Set 1.2: A 90 TYR OH : rot -114:sc= 1.33 USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0.308 USER MOD Set 2.2: A 18 THR OG1 : rot -80:sc= 0.33 USER MOD Set 3.1: A 4 LYS NZ :NH3+ -148:sc= 0.354 (180deg=0) USER MOD Set 3.2: A 65 SER OG : rot -153:sc= 0.361 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.849 K(o=-0.85,f=-2.1!) 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 22 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 23 TYR OH : rot 150:sc= 0.695 USER MOD Single : A 24 GLN : amide:sc= -0.325 X(o=-0.33,f=-0.2) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -179:sc= -0.228 (180deg=-0.303) USER MOD Single : A 36 LYS NZ :NH3+ -159:sc= 0.544 (180deg=0.303) USER MOD Single : A 38 LYS NZ :NH3+ -149:sc= -0.0869 (180deg=-1.38!) USER MOD Single : A 39 LYS NZ :NH3+ 137:sc= 1.01 (180deg=0.0849) USER MOD Single : A 42 ASN : amide:sc= 0.654 K(o=0.65,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 137:sc= -0.74 (180deg=-3.06!) USER MOD Single : A 54 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0386) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 160:sc= 0.324 (180deg=0.175) USER MOD Single : A 64 HIS : no HD1:sc= -0.363 X(o=-0.36,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 145:sc= -0.73 (180deg=-2.37!) USER MOD Single : A 72 LYS NZ :NH3+ 156:sc= 0.806 (180deg=0.457) USER MOD Single : A 75 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0804) USER MOD Single : A 76 LYS NZ :NH3+ -108:sc= 0.598 (180deg=-0.0126) USER MOD Single : A 82 ASN : amide:sc= 0.566 K(o=0.57,f=-4!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -2.49! C(o=-2.5!,f=-5.2!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.715 K(o=-0.71,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 4 16.132 -6.599 1.425 1.00 15.51 N ATOM 39 CA LYS A 4 15.333 -6.810 2.641 1.00 72.14 C ATOM 40 C LYS A 4 13.908 -7.257 2.291 1.00 53.02 C ATOM 41 O LYS A 4 13.312 -6.793 1.307 1.00 11.53 O ATOM 42 CB LYS A 4 15.275 -5.515 3.516 1.00 5.34 C ATOM 43 CG LYS A 4 16.552 -5.216 4.338 1.00 64.34 C ATOM 44 CD LYS A 4 16.862 -6.294 5.411 1.00 50.42 C ATOM 45 CE LYS A 4 15.701 -6.535 6.401 1.00 52.51 C ATOM 46 NZ LYS A 4 15.285 -5.293 7.103 1.00 21.11 N ATOM 0 HA LYS A 4 15.822 -7.597 3.215 1.00 72.14 H new ATOM 0 HB2 LYS A 4 15.074 -4.664 2.864 1.00 5.34 H new ATOM 0 HB3 LYS A 4 14.432 -5.597 4.202 1.00 5.34 H new ATOM 0 HG2 LYS A 4 17.401 -5.135 3.659 1.00 64.34 H new ATOM 0 HG3 LYS A 4 16.442 -4.248 4.827 1.00 64.34 H new ATOM 0 HD2 LYS A 4 17.103 -7.232 4.912 1.00 50.42 H new ATOM 0 HD3 LYS A 4 17.748 -5.994 5.970 1.00 50.42 H new ATOM 0 HE2 LYS A 4 14.848 -6.947 5.862 1.00 52.51 H new ATOM 0 HE3 LYS A 4 16.004 -7.280 7.137 1.00 52.51 H new ATOM 0 HZ1 LYS A 4 14.951 -5.530 8.059 1.00 21.11 H new ATOM 0 HZ2 LYS A 4 16.095 -4.644 7.170 1.00 21.11 H new ATOM 0 HZ3 LYS A 4 14.518 -4.834 6.572 1.00 21.11 H new ATOM 60 N LYS A 5 13.389 -8.178 3.106 1.00 12.40 N ATOM 61 CA LYS A 5 11.974 -8.524 3.122 1.00 10.52 C ATOM 62 C LYS A 5 11.273 -7.488 4.003 1.00 45.33 C ATOM 63 O LYS A 5 11.499 -7.450 5.222 1.00 12.22 O ATOM 64 CB LYS A 5 11.769 -9.960 3.673 1.00 74.44 C ATOM 65 CG LYS A 5 10.320 -10.483 3.586 1.00 74.13 C ATOM 66 CD LYS A 5 10.192 -11.962 4.015 1.00 32.05 C ATOM 67 CE LYS A 5 10.534 -12.201 5.500 1.00 35.40 C ATOM 68 NZ LYS A 5 10.296 -13.610 5.914 1.00 23.31 N ATOM 0 H LYS A 5 13.947 -8.706 3.777 1.00 12.40 H new ATOM 0 HA LYS A 5 11.557 -8.512 2.115 1.00 10.52 H new ATOM 0 HB2 LYS A 5 12.420 -10.641 3.125 1.00 74.44 H new ATOM 0 HB3 LYS A 5 12.087 -9.984 4.715 1.00 74.44 H new ATOM 0 HG2 LYS A 5 9.678 -9.869 4.218 1.00 74.13 H new ATOM 0 HG3 LYS A 5 9.959 -10.373 2.563 1.00 74.13 H new ATOM 0 HD2 LYS A 5 9.173 -12.301 3.825 1.00 32.05 H new ATOM 0 HD3 LYS A 5 10.851 -12.571 3.396 1.00 32.05 H new ATOM 0 HE2 LYS A 5 11.579 -11.944 5.676 1.00 35.40 H new ATOM 0 HE3 LYS A 5 9.934 -11.536 6.121 1.00 35.40 H new ATOM 0 HZ1 LYS A 5 10.540 -13.722 6.919 1.00 23.31 H new ATOM 0 HZ2 LYS A 5 9.294 -13.849 5.772 1.00 23.31 H new ATOM 0 HZ3 LYS A 5 10.888 -14.245 5.341 1.00 23.31 H new ATOM 82 N VAL A 6 10.458 -6.632 3.377 1.00 2.24 N ATOM 83 CA VAL A 6 9.773 -5.524 4.062 1.00 32.53 C ATOM 84 C VAL A 6 8.338 -5.955 4.390 1.00 74.10 C ATOM 85 O VAL A 6 7.753 -6.752 3.668 1.00 15.33 O ATOM 86 CB VAL A 6 9.764 -4.205 3.192 1.00 31.23 C ATOM 87 CG1 VAL A 6 9.087 -4.417 1.807 1.00 4.24 C ATOM 88 CG2 VAL A 6 9.101 -3.048 3.964 1.00 44.32 C ATOM 0 H VAL A 6 10.253 -6.686 2.379 1.00 2.24 H new ATOM 0 HA VAL A 6 10.317 -5.296 4.979 1.00 32.53 H new ATOM 0 HB VAL A 6 10.803 -3.939 2.997 1.00 31.23 H new ATOM 0 HG11 VAL A 6 9.105 -3.483 1.246 1.00 4.24 H new ATOM 0 HG12 VAL A 6 9.627 -5.184 1.252 1.00 4.24 H new ATOM 0 HG13 VAL A 6 8.054 -4.733 1.952 1.00 4.24 H new ATOM 0 HG21 VAL A 6 9.105 -2.149 3.347 1.00 44.32 H new ATOM 0 HG22 VAL A 6 8.073 -3.316 4.208 1.00 44.32 H new ATOM 0 HG23 VAL A 6 9.655 -2.859 4.883 1.00 44.32 H new ATOM 98 N GLU A 7 7.775 -5.419 5.479 1.00 42.41 N ATOM 99 CA GLU A 7 6.447 -5.801 5.960 1.00 3.53 C ATOM 100 C GLU A 7 5.471 -4.628 5.725 1.00 50.21 C ATOM 101 O GLU A 7 5.594 -3.560 6.319 1.00 42.34 O ATOM 102 CB GLU A 7 6.561 -6.202 7.443 1.00 0.15 C ATOM 103 CG GLU A 7 7.449 -7.442 7.677 1.00 72.41 C ATOM 104 CD GLU A 7 7.750 -7.711 9.156 1.00 35.23 C ATOM 105 OE1 GLU A 7 6.852 -8.192 9.877 1.00 32.35 O ATOM 106 OE2 GLU A 7 8.878 -7.399 9.614 1.00 40.44 O ATOM 0 H GLU A 7 8.230 -4.707 6.051 1.00 42.41 H new ATOM 0 HA GLU A 7 6.053 -6.659 5.416 1.00 3.53 H new ATOM 0 HB2 GLU A 7 6.966 -5.363 8.008 1.00 0.15 H new ATOM 0 HB3 GLU A 7 5.564 -6.399 7.836 1.00 0.15 H new ATOM 0 HG2 GLU A 7 6.958 -8.316 7.250 1.00 72.41 H new ATOM 0 HG3 GLU A 7 8.389 -7.311 7.141 1.00 72.41 H new ATOM 113 N VAL A 8 4.517 -4.863 4.827 1.00 4.12 N ATOM 114 CA VAL A 8 3.525 -3.880 4.392 1.00 12.32 C ATOM 115 C VAL A 8 2.196 -4.144 5.116 1.00 73.43 C ATOM 116 O VAL A 8 1.593 -5.208 4.953 1.00 40.31 O ATOM 117 CB VAL A 8 3.343 -3.953 2.829 1.00 33.10 C ATOM 118 CG1 VAL A 8 2.202 -3.026 2.333 1.00 1.13 C ATOM 119 CG2 VAL A 8 4.682 -3.627 2.107 1.00 40.51 C ATOM 0 H VAL A 8 4.409 -5.768 4.368 1.00 4.12 H new ATOM 0 HA VAL A 8 3.866 -2.876 4.644 1.00 12.32 H new ATOM 0 HB VAL A 8 3.055 -4.974 2.580 1.00 33.10 H new ATOM 0 HG11 VAL A 8 2.112 -3.108 1.250 1.00 1.13 H new ATOM 0 HG12 VAL A 8 1.263 -3.324 2.799 1.00 1.13 H new ATOM 0 HG13 VAL A 8 2.429 -1.994 2.601 1.00 1.13 H new ATOM 0 HG21 VAL A 8 4.537 -3.682 1.028 1.00 40.51 H new ATOM 0 HG22 VAL A 8 5.006 -2.622 2.378 1.00 40.51 H new ATOM 0 HG23 VAL A 8 5.442 -4.348 2.408 1.00 40.51 H new ATOM 129 N GLN A 9 1.748 -3.158 5.904 1.00 52.23 N ATOM 130 CA GLN A 9 0.518 -3.246 6.689 1.00 3.21 C ATOM 131 C GLN A 9 -0.603 -2.566 5.893 1.00 12.40 C ATOM 132 O GLN A 9 -0.661 -1.329 5.826 1.00 72.42 O ATOM 133 CB GLN A 9 0.695 -2.556 8.071 1.00 50.42 C ATOM 134 CG GLN A 9 1.857 -3.091 8.923 1.00 75.43 C ATOM 135 CD GLN A 9 1.906 -2.525 10.352 1.00 14.12 C ATOM 136 OE1 GLN A 9 0.747 -2.277 10.966 1.00 32.25 O flip ATOM 137 NE2 GLN A 9 2.981 -2.356 10.918 1.00 73.40 N flip ATOM 0 H GLN A 9 2.237 -2.269 6.013 1.00 52.23 H new ATOM 0 HA GLN A 9 0.270 -4.291 6.873 1.00 3.21 H new ATOM 0 HB2 GLN A 9 0.844 -1.488 7.910 1.00 50.42 H new ATOM 0 HB3 GLN A 9 -0.230 -2.667 8.636 1.00 50.42 H new ATOM 0 HG2 GLN A 9 1.783 -4.177 8.977 1.00 75.43 H new ATOM 0 HG3 GLN A 9 2.797 -2.861 8.421 1.00 75.43 H new ATOM 0 HE21 GLN A 9 3.853 -2.553 10.426 1.00 73.40 H new ATOM 0 HE22 GLN A 9 3.003 -2.018 11.880 1.00 73.40 H new ATOM 146 N VAL A 10 -1.460 -3.380 5.261 1.00 44.43 N ATOM 147 CA VAL A 10 -2.585 -2.879 4.455 1.00 22.43 C ATOM 148 C VAL A 10 -3.834 -2.819 5.348 1.00 33.11 C ATOM 149 O VAL A 10 -4.423 -3.855 5.664 1.00 42.32 O ATOM 150 CB VAL A 10 -2.851 -3.782 3.192 1.00 32.41 C ATOM 151 CG1 VAL A 10 -3.994 -3.205 2.312 1.00 1.21 C ATOM 152 CG2 VAL A 10 -1.550 -3.970 2.366 1.00 21.10 C ATOM 0 H VAL A 10 -1.395 -4.397 5.293 1.00 44.43 H new ATOM 0 HA VAL A 10 -2.338 -1.885 4.083 1.00 22.43 H new ATOM 0 HB VAL A 10 -3.174 -4.762 3.545 1.00 32.41 H new ATOM 0 HG11 VAL A 10 -4.151 -3.852 1.449 1.00 1.21 H new ATOM 0 HG12 VAL A 10 -4.912 -3.151 2.897 1.00 1.21 H new ATOM 0 HG13 VAL A 10 -3.722 -2.206 1.971 1.00 1.21 H new ATOM 0 HG21 VAL A 10 -1.757 -4.597 1.499 1.00 21.10 H new ATOM 0 HG22 VAL A 10 -1.187 -2.998 2.033 1.00 21.10 H new ATOM 0 HG23 VAL A 10 -0.791 -4.448 2.986 1.00 21.10 H new ATOM 162 N LYS A 11 -4.207 -1.598 5.759 1.00 3.14 N ATOM 163 CA LYS A 11 -5.322 -1.348 6.688 1.00 31.02 C ATOM 164 C LYS A 11 -6.490 -0.724 5.911 1.00 31.14 C ATOM 165 O LYS A 11 -6.420 0.445 5.552 1.00 21.42 O ATOM 166 CB LYS A 11 -4.827 -0.387 7.812 1.00 11.34 C ATOM 167 CG LYS A 11 -5.885 0.002 8.869 1.00 3.31 C ATOM 168 CD LYS A 11 -5.360 1.033 9.900 1.00 54.44 C ATOM 169 CE LYS A 11 -4.212 0.489 10.774 1.00 71.35 C ATOM 170 NZ LYS A 11 -3.713 1.495 11.741 1.00 45.44 N ATOM 0 H LYS A 11 -3.738 -0.746 5.453 1.00 3.14 H new ATOM 0 HA LYS A 11 -5.664 -2.278 7.142 1.00 31.02 H new ATOM 0 HB2 LYS A 11 -3.985 -0.855 8.322 1.00 11.34 H new ATOM 0 HB3 LYS A 11 -4.451 0.524 7.347 1.00 11.34 H new ATOM 0 HG2 LYS A 11 -6.760 0.413 8.365 1.00 3.31 H new ATOM 0 HG3 LYS A 11 -6.212 -0.895 9.395 1.00 3.31 H new ATOM 0 HD2 LYS A 11 -5.016 1.922 9.372 1.00 54.44 H new ATOM 0 HD3 LYS A 11 -6.182 1.344 10.544 1.00 54.44 H new ATOM 0 HE2 LYS A 11 -4.557 -0.392 11.316 1.00 71.35 H new ATOM 0 HE3 LYS A 11 -3.392 0.167 10.132 1.00 71.35 H new ATOM 0 HZ1 LYS A 11 -2.943 1.082 12.305 1.00 45.44 H new ATOM 0 HZ2 LYS A 11 -3.358 2.326 11.226 1.00 45.44 H new ATOM 0 HZ3 LYS A 11 -4.488 1.784 12.372 1.00 45.44 H new ATOM 184 N ILE A 12 -7.553 -1.500 5.636 1.00 34.52 N ATOM 185 CA ILE A 12 -8.713 -1.007 4.863 1.00 14.25 C ATOM 186 C ILE A 12 -10.019 -1.172 5.663 1.00 23.21 C ATOM 187 O ILE A 12 -10.415 -2.282 6.017 1.00 65.25 O ATOM 188 CB ILE A 12 -8.811 -1.692 3.442 1.00 13.14 C ATOM 189 CG1 ILE A 12 -10.015 -1.114 2.625 1.00 51.53 C ATOM 190 CG2 ILE A 12 -8.886 -3.238 3.544 1.00 74.11 C ATOM 191 CD1 ILE A 12 -10.066 -1.554 1.173 1.00 12.01 C ATOM 0 H ILE A 12 -7.635 -2.471 5.936 1.00 34.52 H new ATOM 0 HA ILE A 12 -8.560 0.058 4.689 1.00 14.25 H new ATOM 0 HB ILE A 12 -7.893 -1.456 2.904 1.00 13.14 H new ATOM 0 HG12 ILE A 12 -10.943 -1.411 3.113 1.00 51.53 H new ATOM 0 HG13 ILE A 12 -9.970 -0.025 2.659 1.00 51.53 H new ATOM 0 HG21 ILE A 12 -8.952 -3.666 2.544 1.00 74.11 H new ATOM 0 HG22 ILE A 12 -7.992 -3.614 4.041 1.00 74.11 H new ATOM 0 HG23 ILE A 12 -9.767 -3.522 4.119 1.00 74.11 H new ATOM 0 HD11 ILE A 12 -10.932 -1.105 0.687 1.00 12.01 H new ATOM 0 HD12 ILE A 12 -9.157 -1.233 0.664 1.00 12.01 H new ATOM 0 HD13 ILE A 12 -10.145 -2.640 1.124 1.00 12.01 H new ATOM 203 N THR A 13 -10.683 -0.044 5.952 1.00 61.15 N ATOM 204 CA THR A 13 -11.956 -0.018 6.661 1.00 11.41 C ATOM 205 C THR A 13 -13.093 0.026 5.629 1.00 11.22 C ATOM 206 O THR A 13 -13.152 0.944 4.794 1.00 21.20 O ATOM 207 CB THR A 13 -12.047 1.213 7.612 1.00 60.30 C ATOM 208 OG1 THR A 13 -10.865 1.281 8.425 1.00 23.20 O ATOM 209 CG2 THR A 13 -13.286 1.136 8.527 1.00 64.11 C ATOM 0 H THR A 13 -10.342 0.882 5.694 1.00 61.15 H new ATOM 0 HA THR A 13 -12.040 -0.915 7.275 1.00 11.41 H new ATOM 0 HB THR A 13 -12.135 2.106 6.993 1.00 60.30 H new ATOM 0 HG1 THR A 13 -10.922 2.056 9.022 1.00 23.20 H new ATOM 0 HG21 THR A 13 -13.315 2.012 9.175 1.00 64.11 H new ATOM 0 HG22 THR A 13 -14.188 1.107 7.916 1.00 64.11 H new ATOM 0 HG23 THR A 13 -13.232 0.234 9.137 1.00 64.11 H new ATOM 217 N CYS A 14 -13.966 -0.980 5.685 1.00 51.21 N ATOM 218 CA CYS A 14 -15.103 -1.133 4.779 1.00 21.21 C ATOM 219 C CYS A 14 -16.284 -1.747 5.531 1.00 44.52 C ATOM 220 O CYS A 14 -16.077 -2.632 6.375 1.00 10.20 O ATOM 221 CB CYS A 14 -14.715 -2.034 3.598 1.00 62.43 C ATOM 222 SG CYS A 14 -16.112 -2.477 2.523 1.00 23.53 S ATOM 0 H CYS A 14 -13.900 -1.727 6.377 1.00 51.21 H new ATOM 0 HA CYS A 14 -15.389 -0.152 4.399 1.00 21.21 H new ATOM 0 HB2 CYS A 14 -13.956 -1.528 3.001 1.00 62.43 H new ATOM 0 HB3 CYS A 14 -14.261 -2.947 3.983 1.00 62.43 H new ATOM 227 N ASN A 15 -17.509 -1.263 5.204 1.00 64.33 N ATOM 228 CA ASN A 15 -18.791 -1.707 5.803 1.00 62.15 C ATOM 229 C ASN A 15 -18.892 -1.180 7.255 1.00 32.42 C ATOM 230 O ASN A 15 -19.632 -0.231 7.536 1.00 72.14 O ATOM 231 CB ASN A 15 -18.962 -3.264 5.698 1.00 33.33 C ATOM 232 CG ASN A 15 -20.358 -3.797 6.067 1.00 51.01 C ATOM 233 OD1 ASN A 15 -21.067 -3.248 6.915 1.00 54.13 O ATOM 234 ND2 ASN A 15 -20.747 -4.892 5.437 1.00 72.52 N ATOM 0 H ASN A 15 -17.634 -0.536 4.500 1.00 64.33 H new ATOM 0 HA ASN A 15 -19.623 -1.283 5.240 1.00 62.15 H new ATOM 0 HB2 ASN A 15 -18.732 -3.571 4.678 1.00 33.33 H new ATOM 0 HB3 ASN A 15 -18.226 -3.739 6.347 1.00 33.33 H new ATOM 0 HD21 ASN A 15 -21.655 -5.306 5.647 1.00 72.52 H new ATOM 0 HD22 ASN A 15 -20.139 -5.323 4.741 1.00 72.52 H new ATOM 241 N GLY A 16 -18.118 -1.803 8.151 1.00 13.34 N ATOM 242 CA GLY A 16 -17.945 -1.348 9.529 1.00 53.04 C ATOM 243 C GLY A 16 -16.796 -2.083 10.207 1.00 0.10 C ATOM 244 O GLY A 16 -16.621 -2.005 11.427 1.00 52.21 O ATOM 0 H GLY A 16 -17.589 -2.648 7.934 1.00 13.34 H new ATOM 0 HA2 GLY A 16 -17.752 -0.275 9.540 1.00 53.04 H new ATOM 0 HA3 GLY A 16 -18.866 -1.512 10.088 1.00 53.04 H new ATOM 248 N LYS A 17 -16.012 -2.807 9.390 1.00 54.02 N ATOM 249 CA LYS A 17 -14.908 -3.660 9.833 1.00 62.14 C ATOM 250 C LYS A 17 -13.614 -3.207 9.156 1.00 63.23 C ATOM 251 O LYS A 17 -13.602 -2.906 7.959 1.00 14.11 O ATOM 252 CB LYS A 17 -15.208 -5.146 9.475 1.00 65.40 C ATOM 253 CG LYS A 17 -16.240 -5.847 10.392 1.00 60.11 C ATOM 254 CD LYS A 17 -15.695 -6.081 11.828 1.00 22.33 C ATOM 255 CE LYS A 17 -14.433 -6.973 11.851 1.00 31.32 C ATOM 256 NZ LYS A 17 -13.908 -7.181 13.223 1.00 15.33 N ATOM 0 H LYS A 17 -16.136 -2.812 8.378 1.00 54.02 H new ATOM 0 HA LYS A 17 -14.797 -3.577 10.914 1.00 62.14 H new ATOM 0 HB2 LYS A 17 -15.569 -5.190 8.447 1.00 65.40 H new ATOM 0 HB3 LYS A 17 -14.274 -5.707 9.509 1.00 65.40 H new ATOM 0 HG2 LYS A 17 -17.145 -5.242 10.444 1.00 60.11 H new ATOM 0 HG3 LYS A 17 -16.521 -6.804 9.953 1.00 60.11 H new ATOM 0 HD2 LYS A 17 -15.463 -5.119 12.285 1.00 22.33 H new ATOM 0 HD3 LYS A 17 -16.473 -6.543 12.436 1.00 22.33 H new ATOM 0 HE2 LYS A 17 -14.667 -7.940 11.405 1.00 31.32 H new ATOM 0 HE3 LYS A 17 -13.658 -6.517 11.235 1.00 31.32 H new ATOM 0 HZ1 LYS A 17 -13.062 -7.785 13.183 1.00 15.33 H new ATOM 0 HZ2 LYS A 17 -13.658 -6.263 13.642 1.00 15.33 H new ATOM 0 HZ3 LYS A 17 -14.635 -7.641 13.807 1.00 15.33 H new ATOM 270 N THR A 18 -12.529 -3.181 9.929 1.00 24.30 N ATOM 271 CA THR A 18 -11.193 -2.886 9.417 1.00 63.54 C ATOM 272 C THR A 18 -10.450 -4.209 9.180 1.00 5.03 C ATOM 273 O THR A 18 -10.308 -5.018 10.106 1.00 20.53 O ATOM 274 CB THR A 18 -10.391 -1.981 10.399 1.00 5.12 C ATOM 275 OG1 THR A 18 -11.147 -0.786 10.668 1.00 41.34 O ATOM 276 CG2 THR A 18 -9.007 -1.603 9.824 1.00 33.15 C ATOM 0 H THR A 18 -12.553 -3.365 10.932 1.00 24.30 H new ATOM 0 HA THR A 18 -11.288 -2.339 8.479 1.00 63.54 H new ATOM 0 HB THR A 18 -10.228 -2.539 11.321 1.00 5.12 H new ATOM 0 HG1 THR A 18 -11.030 -0.152 9.930 1.00 41.34 H new ATOM 0 HG21 THR A 18 -8.477 -0.971 10.537 1.00 33.15 H new ATOM 0 HG22 THR A 18 -8.429 -2.509 9.642 1.00 33.15 H new ATOM 0 HG23 THR A 18 -9.138 -1.062 8.887 1.00 33.15 H new ATOM 284 N TYR A 19 -10.002 -4.412 7.938 1.00 23.51 N ATOM 285 CA TYR A 19 -9.267 -5.603 7.513 1.00 73.33 C ATOM 286 C TYR A 19 -7.804 -5.191 7.340 1.00 12.34 C ATOM 287 O TYR A 19 -7.448 -4.543 6.345 1.00 63.20 O ATOM 288 CB TYR A 19 -9.855 -6.149 6.181 1.00 34.34 C ATOM 289 CG TYR A 19 -11.358 -6.476 6.255 1.00 11.40 C ATOM 290 CD1 TYR A 19 -12.328 -5.494 6.009 1.00 70.51 C ATOM 291 CD2 TYR A 19 -11.804 -7.759 6.581 1.00 72.51 C ATOM 292 CE1 TYR A 19 -13.670 -5.785 6.084 1.00 3.43 C ATOM 293 CE2 TYR A 19 -13.153 -8.051 6.657 1.00 52.04 C ATOM 294 CZ TYR A 19 -14.077 -7.064 6.406 1.00 62.44 C ATOM 295 OH TYR A 19 -15.419 -7.352 6.483 1.00 55.45 O ATOM 0 H TYR A 19 -10.144 -3.738 7.186 1.00 23.51 H new ATOM 0 HA TYR A 19 -9.349 -6.400 8.252 1.00 73.33 H new ATOM 0 HB2 TYR A 19 -9.691 -5.414 5.393 1.00 34.34 H new ATOM 0 HB3 TYR A 19 -9.310 -7.049 5.896 1.00 34.34 H new ATOM 0 HD1 TYR A 19 -12.016 -4.491 5.756 1.00 70.51 H new ATOM 0 HD2 TYR A 19 -11.081 -8.537 6.777 1.00 72.51 H new ATOM 0 HE1 TYR A 19 -14.403 -5.015 5.892 1.00 3.43 H new ATOM 0 HE2 TYR A 19 -13.479 -9.048 6.912 1.00 52.04 H new ATOM 0 HH TYR A 19 -15.538 -8.296 6.719 1.00 55.45 H new ATOM 305 N GLU A 20 -6.976 -5.529 8.337 1.00 10.15 N ATOM 306 CA GLU A 20 -5.545 -5.206 8.328 1.00 20.53 C ATOM 307 C GLU A 20 -4.721 -6.451 8.663 1.00 71.14 C ATOM 308 O GLU A 20 -5.121 -7.283 9.492 1.00 3.44 O ATOM 309 CB GLU A 20 -5.217 -4.045 9.308 1.00 53.23 C ATOM 310 CG GLU A 20 -5.497 -4.332 10.796 1.00 3.33 C ATOM 311 CD GLU A 20 -4.948 -3.237 11.728 1.00 52.24 C ATOM 312 OE1 GLU A 20 -3.708 -3.082 11.801 1.00 5.34 O ATOM 313 OE2 GLU A 20 -5.739 -2.542 12.400 1.00 31.24 O ATOM 0 H GLU A 20 -7.279 -6.033 9.170 1.00 10.15 H new ATOM 0 HA GLU A 20 -5.280 -4.870 7.325 1.00 20.53 H new ATOM 0 HB2 GLU A 20 -4.164 -3.787 9.198 1.00 53.23 H new ATOM 0 HB3 GLU A 20 -5.793 -3.169 9.011 1.00 53.23 H new ATOM 0 HG2 GLU A 20 -6.572 -4.426 10.947 1.00 3.33 H new ATOM 0 HG3 GLU A 20 -5.052 -5.290 11.067 1.00 3.33 H new ATOM 320 N ARG A 21 -3.588 -6.572 7.976 1.00 74.52 N ATOM 321 CA ARG A 21 -2.592 -7.611 8.214 1.00 60.13 C ATOM 322 C ARG A 21 -1.233 -7.103 7.723 1.00 43.25 C ATOM 323 O ARG A 21 -1.154 -6.303 6.775 1.00 51.14 O ATOM 324 CB ARG A 21 -2.986 -8.949 7.517 1.00 41.24 C ATOM 325 CG ARG A 21 -1.937 -10.086 7.647 1.00 41.25 C ATOM 326 CD ARG A 21 -2.392 -11.409 7.005 1.00 41.03 C ATOM 327 NE ARG A 21 -1.316 -12.418 6.990 1.00 55.13 N ATOM 328 CZ ARG A 21 -1.046 -13.284 7.987 1.00 14.23 C ATOM 329 NH1 ARG A 21 -1.758 -13.290 9.112 1.00 43.15 N ATOM 330 NH2 ARG A 21 -0.062 -14.155 7.839 1.00 32.51 N ATOM 0 H ARG A 21 -3.332 -5.935 7.221 1.00 74.52 H new ATOM 0 HA ARG A 21 -2.537 -7.824 9.282 1.00 60.13 H new ATOM 0 HB2 ARG A 21 -3.931 -9.296 7.936 1.00 41.24 H new ATOM 0 HB3 ARG A 21 -3.159 -8.753 6.459 1.00 41.24 H new ATOM 0 HG2 ARG A 21 -1.005 -9.766 7.182 1.00 41.25 H new ATOM 0 HG3 ARG A 21 -1.725 -10.256 8.702 1.00 41.25 H new ATOM 0 HD2 ARG A 21 -3.249 -11.801 7.553 1.00 41.03 H new ATOM 0 HD3 ARG A 21 -2.726 -11.220 5.985 1.00 41.03 H new ATOM 0 HE ARG A 21 -0.729 -12.464 6.157 1.00 55.13 H new ATOM 0 HH11 ARG A 21 -2.526 -12.630 9.233 1.00 43.15 H new ATOM 0 HH12 ARG A 21 -1.535 -13.955 9.853 1.00 43.15 H new ATOM 0 HH21 ARG A 21 0.483 -14.167 6.977 1.00 32.51 H new ATOM 0 HH22 ARG A 21 0.152 -14.815 8.587 1.00 32.51 H new ATOM 344 N THR A 22 -0.176 -7.548 8.401 1.00 73.21 N ATOM 345 CA THR A 22 1.203 -7.221 8.062 1.00 11.21 C ATOM 346 C THR A 22 1.768 -8.325 7.145 1.00 53.35 C ATOM 347 O THR A 22 1.962 -9.462 7.584 1.00 52.22 O ATOM 348 CB THR A 22 2.037 -7.080 9.373 1.00 40.11 C ATOM 349 OG1 THR A 22 1.348 -6.198 10.279 1.00 74.03 O ATOM 350 CG2 THR A 22 3.437 -6.522 9.106 1.00 24.35 C ATOM 0 H THR A 22 -0.258 -8.157 9.215 1.00 73.21 H new ATOM 0 HA THR A 22 1.254 -6.272 7.528 1.00 11.21 H new ATOM 0 HB THR A 22 2.147 -8.074 9.805 1.00 40.11 H new ATOM 0 HG1 THR A 22 1.867 -6.107 11.105 1.00 74.03 H new ATOM 0 HG21 THR A 22 3.982 -6.441 10.047 1.00 24.35 H new ATOM 0 HG22 THR A 22 3.973 -7.191 8.433 1.00 24.35 H new ATOM 0 HG23 THR A 22 3.355 -5.536 8.648 1.00 24.35 H new ATOM 358 N TYR A 23 1.960 -7.984 5.860 1.00 12.51 N ATOM 359 CA TYR A 23 2.390 -8.928 4.807 1.00 64.14 C ATOM 360 C TYR A 23 3.903 -8.800 4.566 1.00 3.24 C ATOM 361 O TYR A 23 4.400 -7.696 4.390 1.00 32.40 O ATOM 362 CB TYR A 23 1.633 -8.640 3.480 1.00 23.44 C ATOM 363 CG TYR A 23 0.104 -8.689 3.603 1.00 31.21 C ATOM 364 CD1 TYR A 23 -0.592 -9.891 3.478 1.00 25.31 C ATOM 365 CD2 TYR A 23 -0.637 -7.526 3.848 1.00 32.34 C ATOM 366 CE1 TYR A 23 -1.966 -9.932 3.592 1.00 24.40 C ATOM 367 CE2 TYR A 23 -2.008 -7.563 3.965 1.00 14.03 C ATOM 368 CZ TYR A 23 -2.670 -8.763 3.836 1.00 50.31 C ATOM 369 OH TYR A 23 -4.037 -8.804 3.965 1.00 1.24 O ATOM 0 H TYR A 23 1.820 -7.034 5.516 1.00 12.51 H new ATOM 0 HA TYR A 23 2.160 -9.940 5.139 1.00 64.14 H new ATOM 0 HB2 TYR A 23 1.925 -7.656 3.115 1.00 23.44 H new ATOM 0 HB3 TYR A 23 1.949 -9.365 2.730 1.00 23.44 H new ATOM 0 HD1 TYR A 23 -0.047 -10.804 3.289 1.00 25.31 H new ATOM 0 HD2 TYR A 23 -0.123 -6.582 3.947 1.00 32.34 H new ATOM 0 HE1 TYR A 23 -2.491 -10.870 3.492 1.00 24.40 H new ATOM 0 HE2 TYR A 23 -2.561 -6.656 4.157 1.00 14.03 H new ATOM 0 HH TYR A 23 -4.330 -8.091 4.570 1.00 1.24 H new ATOM 379 N GLN A 24 4.607 -9.937 4.525 1.00 61.13 N ATOM 380 CA GLN A 24 6.055 -9.977 4.282 1.00 52.33 C ATOM 381 C GLN A 24 6.290 -10.063 2.761 1.00 24.04 C ATOM 382 O GLN A 24 6.025 -11.099 2.141 1.00 44.13 O ATOM 383 CB GLN A 24 6.708 -11.189 5.014 1.00 4.51 C ATOM 384 CG GLN A 24 6.782 -11.093 6.561 1.00 10.02 C ATOM 385 CD GLN A 24 5.425 -11.187 7.265 1.00 54.34 C ATOM 386 OE1 GLN A 24 4.963 -12.276 7.604 1.00 53.34 O ATOM 387 NE2 GLN A 24 4.790 -10.050 7.505 1.00 13.52 N ATOM 0 H GLN A 24 4.189 -10.857 4.660 1.00 61.13 H new ATOM 0 HA GLN A 24 6.520 -9.073 4.676 1.00 52.33 H new ATOM 0 HB2 GLN A 24 6.151 -12.089 4.752 1.00 4.51 H new ATOM 0 HB3 GLN A 24 7.720 -11.318 4.629 1.00 4.51 H new ATOM 0 HG2 GLN A 24 7.426 -11.890 6.932 1.00 10.02 H new ATOM 0 HG3 GLN A 24 7.254 -10.149 6.832 1.00 10.02 H new ATOM 0 HE21 GLN A 24 5.201 -9.164 7.210 1.00 13.52 H new ATOM 0 HE22 GLN A 24 3.890 -10.060 7.984 1.00 13.52 H new ATOM 396 N LEU A 25 6.761 -8.954 2.172 1.00 71.50 N ATOM 397 CA LEU A 25 7.051 -8.843 0.734 1.00 22.44 C ATOM 398 C LEU A 25 8.570 -8.705 0.531 1.00 72.15 C ATOM 399 O LEU A 25 9.150 -7.659 0.853 1.00 22.41 O ATOM 400 CB LEU A 25 6.308 -7.617 0.116 1.00 72.33 C ATOM 401 CG LEU A 25 4.764 -7.528 0.363 1.00 24.22 C ATOM 402 CD1 LEU A 25 4.130 -6.372 -0.439 1.00 73.32 C ATOM 403 CD2 LEU A 25 4.057 -8.872 0.058 1.00 23.33 C ATOM 0 H LEU A 25 6.954 -8.096 2.689 1.00 71.50 H new ATOM 0 HA LEU A 25 6.698 -9.742 0.229 1.00 22.44 H new ATOM 0 HB2 LEU A 25 6.767 -6.709 0.507 1.00 72.33 H new ATOM 0 HB3 LEU A 25 6.480 -7.623 -0.960 1.00 72.33 H new ATOM 0 HG LEU A 25 4.620 -7.315 1.422 1.00 24.22 H new ATOM 0 HD11 LEU A 25 3.058 -6.339 -0.244 1.00 73.32 H new ATOM 0 HD12 LEU A 25 4.583 -5.428 -0.136 1.00 73.32 H new ATOM 0 HD13 LEU A 25 4.301 -6.531 -1.504 1.00 73.32 H new ATOM 0 HD21 LEU A 25 2.987 -8.770 0.241 1.00 23.33 H new ATOM 0 HD22 LEU A 25 4.222 -9.142 -0.985 1.00 23.33 H new ATOM 0 HD23 LEU A 25 4.463 -9.651 0.703 1.00 23.33 H new ATOM 415 N TYR A 26 9.208 -9.781 0.038 1.00 61.20 N ATOM 416 CA TYR A 26 10.646 -9.791 -0.275 1.00 30.34 C ATOM 417 C TYR A 26 10.885 -9.144 -1.643 1.00 11.01 C ATOM 418 O TYR A 26 10.264 -9.552 -2.622 1.00 15.13 O ATOM 419 CB TYR A 26 11.194 -11.246 -0.273 1.00 54.33 C ATOM 420 CG TYR A 26 12.725 -11.349 -0.452 1.00 73.44 C ATOM 421 CD1 TYR A 26 13.321 -11.419 -1.721 1.00 51.41 C ATOM 422 CD2 TYR A 26 13.569 -11.356 0.657 1.00 72.42 C ATOM 423 CE1 TYR A 26 14.691 -11.494 -1.862 1.00 52.13 C ATOM 424 CE2 TYR A 26 14.933 -11.429 0.519 1.00 13.41 C ATOM 425 CZ TYR A 26 15.494 -11.496 -0.739 1.00 4.31 C ATOM 426 OH TYR A 26 16.865 -11.561 -0.872 1.00 14.35 O ATOM 0 H TYR A 26 8.741 -10.667 -0.154 1.00 61.20 H new ATOM 0 HA TYR A 26 11.174 -9.221 0.489 1.00 30.34 H new ATOM 0 HB2 TYR A 26 10.917 -11.725 0.666 1.00 54.33 H new ATOM 0 HB3 TYR A 26 10.708 -11.806 -1.072 1.00 54.33 H new ATOM 0 HD1 TYR A 26 12.696 -11.414 -2.602 1.00 51.41 H new ATOM 0 HD2 TYR A 26 13.141 -11.303 1.647 1.00 72.42 H new ATOM 0 HE1 TYR A 26 15.133 -11.551 -2.846 1.00 52.13 H new ATOM 0 HE2 TYR A 26 15.566 -11.434 1.394 1.00 13.41 H new ATOM 0 HH TYR A 26 17.281 -11.552 0.015 1.00 14.35 H new ATOM 436 N ALA A 27 11.802 -8.166 -1.701 1.00 72.42 N ATOM 437 CA ALA A 27 12.232 -7.537 -2.963 1.00 54.25 C ATOM 438 C ALA A 27 13.738 -7.262 -2.938 1.00 32.10 C ATOM 439 O ALA A 27 14.312 -6.996 -1.880 1.00 41.11 O ATOM 440 CB ALA A 27 11.462 -6.238 -3.220 1.00 73.03 C ATOM 0 H ALA A 27 12.267 -7.788 -0.876 1.00 72.42 H new ATOM 0 HA ALA A 27 12.014 -8.230 -3.776 1.00 54.25 H new ATOM 0 HB1 ALA A 27 11.799 -5.795 -4.157 1.00 73.03 H new ATOM 0 HB2 ALA A 27 10.395 -6.454 -3.283 1.00 73.03 H new ATOM 0 HB3 ALA A 27 11.643 -5.540 -2.403 1.00 73.03 H new ATOM 446 N VAL A 28 14.362 -7.341 -4.122 1.00 52.33 N ATOM 447 CA VAL A 28 15.767 -6.947 -4.328 1.00 34.12 C ATOM 448 C VAL A 28 15.834 -5.431 -4.586 1.00 15.12 C ATOM 449 O VAL A 28 16.727 -4.734 -4.093 1.00 23.53 O ATOM 450 CB VAL A 28 16.392 -7.734 -5.541 1.00 53.25 C ATOM 451 CG1 VAL A 28 17.878 -7.353 -5.768 1.00 32.34 C ATOM 452 CG2 VAL A 28 16.227 -9.265 -5.346 1.00 11.00 C ATOM 0 H VAL A 28 13.906 -7.681 -4.969 1.00 52.33 H new ATOM 0 HA VAL A 28 16.342 -7.191 -3.434 1.00 34.12 H new ATOM 0 HB VAL A 28 15.846 -7.445 -6.439 1.00 53.25 H new ATOM 0 HG11 VAL A 28 18.273 -7.917 -6.613 1.00 32.34 H new ATOM 0 HG12 VAL A 28 17.952 -6.286 -5.977 1.00 32.34 H new ATOM 0 HG13 VAL A 28 18.455 -7.588 -4.873 1.00 32.34 H new ATOM 0 HG21 VAL A 28 16.665 -9.789 -6.195 1.00 11.00 H new ATOM 0 HG22 VAL A 28 16.732 -9.572 -4.430 1.00 11.00 H new ATOM 0 HG23 VAL A 28 15.167 -9.511 -5.276 1.00 11.00 H new ATOM 462 N ARG A 29 14.856 -4.943 -5.371 1.00 44.14 N ATOM 463 CA ARG A 29 14.752 -3.529 -5.777 1.00 62.40 C ATOM 464 C ARG A 29 13.421 -2.942 -5.285 1.00 60.25 C ATOM 465 O ARG A 29 12.472 -3.674 -4.977 1.00 2.14 O ATOM 466 CB ARG A 29 14.810 -3.401 -7.329 1.00 45.53 C ATOM 467 CG ARG A 29 15.949 -4.186 -8.017 1.00 0.03 C ATOM 468 CD ARG A 29 15.804 -4.176 -9.546 1.00 14.12 C ATOM 469 NE ARG A 29 16.765 -5.073 -10.216 1.00 74.42 N ATOM 470 CZ ARG A 29 16.437 -6.038 -11.092 1.00 24.21 C ATOM 471 NH1 ARG A 29 15.168 -6.271 -11.412 1.00 63.12 N ATOM 472 NH2 ARG A 29 17.387 -6.754 -11.662 1.00 35.34 N ATOM 0 H ARG A 29 14.107 -5.526 -5.745 1.00 44.14 H new ATOM 0 HA ARG A 29 15.587 -2.985 -5.336 1.00 62.40 H new ATOM 0 HB2 ARG A 29 13.859 -3.739 -7.740 1.00 45.53 H new ATOM 0 HB3 ARG A 29 14.912 -2.347 -7.586 1.00 45.53 H new ATOM 0 HG2 ARG A 29 16.909 -3.751 -7.740 1.00 0.03 H new ATOM 0 HG3 ARG A 29 15.950 -5.215 -7.658 1.00 0.03 H new ATOM 0 HD2 ARG A 29 14.790 -4.473 -9.812 1.00 14.12 H new ATOM 0 HD3 ARG A 29 15.945 -3.160 -9.913 1.00 14.12 H new ATOM 0 HE ARG A 29 17.754 -4.951 -9.998 1.00 74.42 H new ATOM 0 HH11 ARG A 29 14.425 -5.713 -10.991 1.00 63.12 H new ATOM 0 HH12 ARG A 29 14.937 -7.008 -12.079 1.00 63.12 H new ATOM 0 HH21 ARG A 29 18.366 -6.574 -11.437 1.00 35.34 H new ATOM 0 HH22 ARG A 29 17.143 -7.488 -12.327 1.00 35.34 H new ATOM 486 N ASP A 30 13.363 -1.607 -5.263 1.00 54.52 N ATOM 487 CA ASP A 30 12.127 -0.838 -4.998 1.00 52.42 C ATOM 488 C ASP A 30 11.075 -1.093 -6.101 1.00 51.12 C ATOM 489 O ASP A 30 9.873 -1.209 -5.817 1.00 20.12 O ATOM 490 CB ASP A 30 12.459 0.681 -4.894 1.00 64.21 C ATOM 491 CG ASP A 30 13.207 1.227 -6.133 1.00 42.44 C ATOM 492 OD1 ASP A 30 14.424 0.960 -6.261 1.00 63.31 O ATOM 493 OD2 ASP A 30 12.595 1.896 -6.984 1.00 60.43 O ATOM 0 H ASP A 30 14.178 -1.016 -5.430 1.00 54.52 H new ATOM 0 HA ASP A 30 11.705 -1.171 -4.050 1.00 52.42 H new ATOM 0 HB2 ASP A 30 11.533 1.240 -4.761 1.00 64.21 H new ATOM 0 HB3 ASP A 30 13.066 0.854 -4.006 1.00 64.21 H new ATOM 498 N GLU A 31 11.557 -1.207 -7.355 1.00 42.42 N ATOM 499 CA GLU A 31 10.714 -1.450 -8.544 1.00 24.50 C ATOM 500 C GLU A 31 10.044 -2.841 -8.497 1.00 1.34 C ATOM 501 O GLU A 31 8.955 -3.029 -9.059 1.00 31.53 O ATOM 502 CB GLU A 31 11.564 -1.290 -9.836 1.00 50.34 C ATOM 503 CG GLU A 31 10.784 -1.460 -11.165 1.00 65.21 C ATOM 504 CD GLU A 31 11.607 -1.100 -12.415 1.00 62.31 C ATOM 505 OE1 GLU A 31 12.550 -1.848 -12.749 1.00 52.20 O ATOM 506 OE2 GLU A 31 11.348 -0.044 -13.038 1.00 2.33 O ATOM 0 H GLU A 31 12.551 -1.132 -7.573 1.00 42.42 H new ATOM 0 HA GLU A 31 9.914 -0.709 -8.549 1.00 24.50 H new ATOM 0 HB2 GLU A 31 12.026 -0.303 -9.828 1.00 50.34 H new ATOM 0 HB3 GLU A 31 12.373 -2.020 -9.812 1.00 50.34 H new ATOM 0 HG2 GLU A 31 10.446 -2.493 -11.248 1.00 65.21 H new ATOM 0 HG3 GLU A 31 9.892 -0.834 -11.135 1.00 65.21 H new ATOM 513 N GLU A 32 10.685 -3.802 -7.807 1.00 11.32 N ATOM 514 CA GLU A 32 10.131 -5.159 -7.641 1.00 0.23 C ATOM 515 C GLU A 32 8.880 -5.120 -6.754 1.00 54.54 C ATOM 516 O GLU A 32 7.890 -5.800 -7.035 1.00 52.40 O ATOM 517 CB GLU A 32 11.185 -6.140 -7.046 1.00 1.33 C ATOM 518 CG GLU A 32 12.524 -6.224 -7.816 1.00 1.43 C ATOM 519 CD GLU A 32 12.366 -6.222 -9.350 1.00 72.41 C ATOM 520 OE1 GLU A 32 11.955 -7.251 -9.921 1.00 33.13 O ATOM 521 OE2 GLU A 32 12.637 -5.182 -9.985 1.00 40.05 O ATOM 0 H GLU A 32 11.589 -3.664 -7.355 1.00 11.32 H new ATOM 0 HA GLU A 32 9.855 -5.527 -8.629 1.00 0.23 H new ATOM 0 HB2 GLU A 32 11.394 -5.842 -6.019 1.00 1.33 H new ATOM 0 HB3 GLU A 32 10.746 -7.137 -7.005 1.00 1.33 H new ATOM 0 HG2 GLU A 32 13.152 -5.382 -7.525 1.00 1.43 H new ATOM 0 HG3 GLU A 32 13.048 -7.132 -7.516 1.00 1.43 H new ATOM 528 N LEU A 33 8.933 -4.275 -5.707 1.00 64.42 N ATOM 529 CA LEU A 33 7.874 -4.174 -4.686 1.00 33.03 C ATOM 530 C LEU A 33 6.559 -3.619 -5.301 1.00 64.24 C ATOM 531 O LEU A 33 5.488 -3.843 -4.741 1.00 45.13 O ATOM 532 CB LEU A 33 8.373 -3.302 -3.473 1.00 71.50 C ATOM 533 CG LEU A 33 7.968 -3.770 -2.021 1.00 51.55 C ATOM 534 CD1 LEU A 33 6.459 -3.687 -1.754 1.00 64.22 C ATOM 535 CD2 LEU A 33 8.486 -5.187 -1.724 1.00 15.50 C ATOM 0 H LEU A 33 9.715 -3.641 -5.545 1.00 64.42 H new ATOM 0 HA LEU A 33 7.650 -5.172 -4.309 1.00 33.03 H new ATOM 0 HB2 LEU A 33 9.461 -3.254 -3.519 1.00 71.50 H new ATOM 0 HB3 LEU A 33 8.003 -2.287 -3.614 1.00 71.50 H new ATOM 0 HG LEU A 33 8.448 -3.067 -1.340 1.00 51.55 H new ATOM 0 HD11 LEU A 33 6.250 -4.023 -0.738 1.00 64.22 H new ATOM 0 HD12 LEU A 33 6.125 -2.656 -1.871 1.00 64.22 H new ATOM 0 HD13 LEU A 33 5.929 -4.323 -2.463 1.00 64.22 H new ATOM 0 HD21 LEU A 33 8.190 -5.479 -0.716 1.00 15.50 H new ATOM 0 HD22 LEU A 33 8.063 -5.887 -2.444 1.00 15.50 H new ATOM 0 HD23 LEU A 33 9.573 -5.201 -1.801 1.00 15.50 H new ATOM 547 N LYS A 34 6.658 -2.935 -6.473 1.00 71.33 N ATOM 548 CA LYS A 34 5.495 -2.349 -7.184 1.00 53.44 C ATOM 549 C LYS A 34 4.394 -3.393 -7.447 1.00 55.40 C ATOM 550 O LYS A 34 3.268 -3.265 -6.935 1.00 14.11 O ATOM 551 CB LYS A 34 5.924 -1.733 -8.540 1.00 53.14 C ATOM 552 CG LYS A 34 6.830 -0.493 -8.439 1.00 71.34 C ATOM 553 CD LYS A 34 7.224 0.072 -9.822 1.00 73.33 C ATOM 554 CE LYS A 34 6.002 0.462 -10.680 1.00 53.44 C ATOM 555 NZ LYS A 34 5.127 1.449 -9.996 1.00 23.01 N ATOM 0 H LYS A 34 7.546 -2.776 -6.948 1.00 71.33 H new ATOM 0 HA LYS A 34 5.097 -1.571 -6.532 1.00 53.44 H new ATOM 0 HB2 LYS A 34 6.443 -2.496 -9.120 1.00 53.14 H new ATOM 0 HB3 LYS A 34 5.027 -1.464 -9.098 1.00 53.14 H new ATOM 0 HG2 LYS A 34 6.317 0.281 -7.868 1.00 71.34 H new ATOM 0 HG3 LYS A 34 7.733 -0.752 -7.886 1.00 71.34 H new ATOM 0 HD2 LYS A 34 7.859 0.947 -9.684 1.00 73.33 H new ATOM 0 HD3 LYS A 34 7.816 -0.670 -10.357 1.00 73.33 H new ATOM 0 HE2 LYS A 34 6.344 0.878 -11.628 1.00 53.44 H new ATOM 0 HE3 LYS A 34 5.424 -0.432 -10.914 1.00 53.44 H new ATOM 0 HZ1 LYS A 34 4.311 1.668 -10.602 1.00 23.01 H new ATOM 0 HZ2 LYS A 34 4.792 1.051 -9.095 1.00 23.01 H new ATOM 0 HZ3 LYS A 34 5.665 2.320 -9.811 1.00 23.01 H new ATOM 569 N GLU A 35 4.733 -4.425 -8.250 1.00 30.53 N ATOM 570 CA GLU A 35 3.764 -5.463 -8.647 1.00 42.23 C ATOM 571 C GLU A 35 3.291 -6.283 -7.437 1.00 34.55 C ATOM 572 O GLU A 35 2.142 -6.705 -7.415 1.00 73.53 O ATOM 573 CB GLU A 35 4.304 -6.357 -9.816 1.00 14.51 C ATOM 574 CG GLU A 35 5.748 -6.918 -9.671 1.00 62.44 C ATOM 575 CD GLU A 35 5.921 -8.154 -8.755 1.00 32.24 C ATOM 576 OE1 GLU A 35 4.950 -8.923 -8.545 1.00 31.31 O ATOM 577 OE2 GLU A 35 7.051 -8.388 -8.267 1.00 32.22 O ATOM 0 H GLU A 35 5.669 -4.559 -8.634 1.00 30.53 H new ATOM 0 HA GLU A 35 2.884 -4.955 -9.042 1.00 42.23 H new ATOM 0 HB2 GLU A 35 3.624 -7.200 -9.939 1.00 14.51 H new ATOM 0 HB3 GLU A 35 4.258 -5.774 -10.736 1.00 14.51 H new ATOM 0 HG2 GLU A 35 6.115 -7.176 -10.664 1.00 62.44 H new ATOM 0 HG3 GLU A 35 6.387 -6.121 -9.292 1.00 62.44 H new ATOM 584 N LYS A 36 4.167 -6.437 -6.416 1.00 21.22 N ATOM 585 CA LYS A 36 3.853 -7.177 -5.165 1.00 13.33 C ATOM 586 C LYS A 36 2.732 -6.468 -4.387 1.00 42.53 C ATOM 587 O LYS A 36 1.821 -7.126 -3.866 1.00 3.33 O ATOM 588 CB LYS A 36 5.124 -7.322 -4.285 1.00 24.32 C ATOM 589 CG LYS A 36 6.310 -7.934 -5.045 1.00 4.13 C ATOM 590 CD LYS A 36 7.593 -8.055 -4.201 1.00 31.34 C ATOM 591 CE LYS A 36 8.836 -8.318 -5.072 1.00 65.40 C ATOM 592 NZ LYS A 36 8.673 -9.487 -5.965 1.00 43.44 N ATOM 0 H LYS A 36 5.112 -6.053 -6.434 1.00 21.22 H new ATOM 0 HA LYS A 36 3.506 -8.175 -5.432 1.00 13.33 H new ATOM 0 HB2 LYS A 36 5.410 -6.342 -3.904 1.00 24.32 H new ATOM 0 HB3 LYS A 36 4.892 -7.945 -3.421 1.00 24.32 H new ATOM 0 HG2 LYS A 36 6.028 -8.924 -5.404 1.00 4.13 H new ATOM 0 HG3 LYS A 36 6.520 -7.324 -5.924 1.00 4.13 H new ATOM 0 HD2 LYS A 36 7.738 -7.138 -3.630 1.00 31.34 H new ATOM 0 HD3 LYS A 36 7.478 -8.865 -3.481 1.00 31.34 H new ATOM 0 HE2 LYS A 36 9.046 -7.434 -5.673 1.00 65.40 H new ATOM 0 HE3 LYS A 36 9.700 -8.477 -4.426 1.00 65.40 H new ATOM 0 HZ1 LYS A 36 9.609 -9.836 -6.254 1.00 43.44 H new ATOM 0 HZ2 LYS A 36 8.163 -10.240 -5.461 1.00 43.44 H new ATOM 0 HZ3 LYS A 36 8.133 -9.207 -6.808 1.00 43.44 H new ATOM 606 N LEU A 37 2.815 -5.117 -4.337 1.00 5.22 N ATOM 607 CA LEU A 37 1.749 -4.255 -3.790 1.00 31.41 C ATOM 608 C LEU A 37 0.434 -4.529 -4.525 1.00 1.32 C ATOM 609 O LEU A 37 -0.561 -4.843 -3.888 1.00 1.33 O ATOM 610 CB LEU A 37 2.116 -2.749 -3.918 1.00 43.13 C ATOM 611 CG LEU A 37 3.297 -2.253 -3.032 1.00 32.15 C ATOM 612 CD1 LEU A 37 3.790 -0.865 -3.480 1.00 32.13 C ATOM 613 CD2 LEU A 37 2.919 -2.257 -1.531 1.00 11.44 C ATOM 0 H LEU A 37 3.625 -4.598 -4.676 1.00 5.22 H new ATOM 0 HA LEU A 37 1.636 -4.488 -2.731 1.00 31.41 H new ATOM 0 HB2 LEU A 37 2.359 -2.543 -4.960 1.00 43.13 H new ATOM 0 HB3 LEU A 37 1.233 -2.159 -3.674 1.00 43.13 H new ATOM 0 HG LEU A 37 4.121 -2.954 -3.165 1.00 32.15 H new ATOM 0 HD11 LEU A 37 4.614 -0.548 -2.841 1.00 32.13 H new ATOM 0 HD12 LEU A 37 4.131 -0.916 -4.514 1.00 32.13 H new ATOM 0 HD13 LEU A 37 2.974 -0.147 -3.402 1.00 32.13 H new ATOM 0 HD21 LEU A 37 3.766 -1.905 -0.942 1.00 11.44 H new ATOM 0 HD22 LEU A 37 2.066 -1.598 -1.369 1.00 11.44 H new ATOM 0 HD23 LEU A 37 2.659 -3.270 -1.224 1.00 11.44 H new ATOM 625 N LYS A 38 0.479 -4.456 -5.876 1.00 52.33 N ATOM 626 CA LYS A 38 -0.704 -4.666 -6.751 1.00 10.04 C ATOM 627 C LYS A 38 -1.366 -6.050 -6.512 1.00 2.44 C ATOM 628 O LYS A 38 -2.596 -6.150 -6.536 1.00 4.10 O ATOM 629 CB LYS A 38 -0.290 -4.503 -8.243 1.00 64.21 C ATOM 630 CG LYS A 38 0.349 -3.127 -8.571 1.00 42.32 C ATOM 631 CD LYS A 38 0.959 -3.001 -9.998 1.00 62.21 C ATOM 632 CE LYS A 38 -0.074 -2.770 -11.127 1.00 55.23 C ATOM 633 NZ LYS A 38 -0.931 -3.953 -11.391 1.00 50.44 N ATOM 0 H LYS A 38 1.334 -4.250 -6.392 1.00 52.33 H new ATOM 0 HA LYS A 38 -1.448 -3.910 -6.499 1.00 10.04 H new ATOM 0 HB2 LYS A 38 0.416 -5.292 -8.502 1.00 64.21 H new ATOM 0 HB3 LYS A 38 -1.169 -4.643 -8.871 1.00 64.21 H new ATOM 0 HG2 LYS A 38 -0.410 -2.354 -8.448 1.00 42.32 H new ATOM 0 HG3 LYS A 38 1.132 -2.925 -7.840 1.00 42.32 H new ATOM 0 HD2 LYS A 38 1.671 -2.176 -10.002 1.00 62.21 H new ATOM 0 HD3 LYS A 38 1.521 -3.908 -10.219 1.00 62.21 H new ATOM 0 HE2 LYS A 38 -0.707 -1.923 -10.863 1.00 55.23 H new ATOM 0 HE3 LYS A 38 0.453 -2.500 -12.042 1.00 55.23 H new ATOM 0 HZ1 LYS A 38 -1.199 -3.971 -12.396 1.00 50.44 H new ATOM 0 HZ2 LYS A 38 -0.407 -4.820 -11.157 1.00 50.44 H new ATOM 0 HZ3 LYS A 38 -1.789 -3.898 -10.805 1.00 50.44 H new ATOM 647 N LYS A 39 -0.539 -7.101 -6.269 1.00 74.14 N ATOM 648 CA LYS A 39 -1.038 -8.470 -5.961 1.00 15.34 C ATOM 649 C LYS A 39 -1.866 -8.453 -4.661 1.00 34.01 C ATOM 650 O LYS A 39 -3.043 -8.838 -4.653 1.00 44.13 O ATOM 651 CB LYS A 39 0.123 -9.511 -5.818 1.00 63.11 C ATOM 652 CG LYS A 39 1.121 -9.563 -6.993 1.00 72.42 C ATOM 653 CD LYS A 39 0.459 -9.798 -8.372 1.00 43.25 C ATOM 654 CE LYS A 39 1.451 -9.606 -9.540 1.00 0.33 C ATOM 655 NZ LYS A 39 2.666 -10.453 -9.411 1.00 72.45 N ATOM 0 H LYS A 39 0.478 -7.027 -6.280 1.00 74.14 H new ATOM 0 HA LYS A 39 -1.661 -8.777 -6.801 1.00 15.34 H new ATOM 0 HB2 LYS A 39 0.676 -9.289 -4.905 1.00 63.11 H new ATOM 0 HB3 LYS A 39 -0.315 -10.501 -5.693 1.00 63.11 H new ATOM 0 HG2 LYS A 39 1.679 -8.627 -7.024 1.00 72.42 H new ATOM 0 HG3 LYS A 39 1.843 -10.358 -6.808 1.00 72.42 H new ATOM 0 HD2 LYS A 39 0.050 -10.808 -8.408 1.00 43.25 H new ATOM 0 HD3 LYS A 39 -0.378 -9.110 -8.493 1.00 43.25 H new ATOM 0 HE2 LYS A 39 0.949 -9.840 -10.479 1.00 0.33 H new ATOM 0 HE3 LYS A 39 1.748 -8.558 -9.590 1.00 0.33 H new ATOM 0 HZ1 LYS A 39 2.898 -10.871 -10.335 1.00 72.45 H new ATOM 0 HZ2 LYS A 39 3.463 -9.870 -9.085 1.00 72.45 H new ATOM 0 HZ3 LYS A 39 2.489 -11.212 -8.723 1.00 72.45 H new ATOM 669 N VAL A 40 -1.229 -7.946 -3.586 1.00 62.02 N ATOM 670 CA VAL A 40 -1.810 -7.905 -2.227 1.00 73.32 C ATOM 671 C VAL A 40 -3.052 -6.989 -2.172 1.00 10.41 C ATOM 672 O VAL A 40 -4.004 -7.274 -1.445 1.00 23.32 O ATOM 673 CB VAL A 40 -0.733 -7.425 -1.174 1.00 63.41 C ATOM 674 CG1 VAL A 40 -1.323 -7.295 0.255 1.00 40.20 C ATOM 675 CG2 VAL A 40 0.490 -8.377 -1.170 1.00 51.50 C ATOM 0 H VAL A 40 -0.290 -7.550 -3.636 1.00 62.02 H new ATOM 0 HA VAL A 40 -2.124 -8.917 -1.974 1.00 73.32 H new ATOM 0 HB VAL A 40 -0.408 -6.431 -1.481 1.00 63.41 H new ATOM 0 HG11 VAL A 40 -0.544 -6.963 0.941 1.00 40.20 H new ATOM 0 HG12 VAL A 40 -2.135 -6.568 0.249 1.00 40.20 H new ATOM 0 HG13 VAL A 40 -1.705 -8.263 0.581 1.00 40.20 H new ATOM 0 HG21 VAL A 40 1.220 -8.029 -0.439 1.00 51.50 H new ATOM 0 HG22 VAL A 40 0.166 -9.384 -0.909 1.00 51.50 H new ATOM 0 HG23 VAL A 40 0.946 -8.388 -2.160 1.00 51.50 H new ATOM 685 N LEU A 41 -3.033 -5.908 -2.966 1.00 51.45 N ATOM 686 CA LEU A 41 -4.108 -4.902 -2.990 1.00 61.33 C ATOM 687 C LEU A 41 -5.361 -5.454 -3.672 1.00 15.14 C ATOM 688 O LEU A 41 -6.466 -5.226 -3.192 1.00 53.01 O ATOM 689 CB LEU A 41 -3.614 -3.585 -3.658 1.00 74.30 C ATOM 690 CG LEU A 41 -2.656 -2.731 -2.764 1.00 60.45 C ATOM 691 CD1 LEU A 41 -2.036 -1.546 -3.530 1.00 53.25 C ATOM 692 CD2 LEU A 41 -3.387 -2.255 -1.492 1.00 54.45 C ATOM 0 H LEU A 41 -2.270 -5.705 -3.612 1.00 51.45 H new ATOM 0 HA LEU A 41 -4.381 -4.665 -1.962 1.00 61.33 H new ATOM 0 HB2 LEU A 41 -3.101 -3.833 -4.587 1.00 74.30 H new ATOM 0 HB3 LEU A 41 -4.480 -2.979 -3.924 1.00 74.30 H new ATOM 0 HG LEU A 41 -1.827 -3.375 -2.469 1.00 60.45 H new ATOM 0 HD11 LEU A 41 -1.380 -0.986 -2.864 1.00 53.25 H new ATOM 0 HD12 LEU A 41 -1.460 -1.921 -4.376 1.00 53.25 H new ATOM 0 HD13 LEU A 41 -2.829 -0.892 -3.892 1.00 53.25 H new ATOM 0 HD21 LEU A 41 -2.706 -1.662 -0.881 1.00 54.45 H new ATOM 0 HD22 LEU A 41 -4.246 -1.646 -1.773 1.00 54.45 H new ATOM 0 HD23 LEU A 41 -3.726 -3.120 -0.922 1.00 54.45 H new ATOM 704 N ASN A 42 -5.184 -6.201 -4.779 1.00 70.31 N ATOM 705 CA ASN A 42 -6.306 -6.887 -5.460 1.00 52.40 C ATOM 706 C ASN A 42 -6.921 -7.978 -4.557 1.00 30.45 C ATOM 707 O ASN A 42 -8.144 -8.110 -4.502 1.00 24.34 O ATOM 708 CB ASN A 42 -5.849 -7.479 -6.833 1.00 12.10 C ATOM 709 CG ASN A 42 -5.986 -6.482 -7.993 1.00 1.04 C ATOM 710 OD1 ASN A 42 -7.010 -6.455 -8.684 1.00 25.11 O ATOM 711 ND2 ASN A 42 -4.988 -5.638 -8.201 1.00 62.42 N ATOM 0 H ASN A 42 -4.277 -6.346 -5.222 1.00 70.31 H new ATOM 0 HA ASN A 42 -7.081 -6.147 -5.658 1.00 52.40 H new ATOM 0 HB2 ASN A 42 -4.810 -7.798 -6.757 1.00 12.10 H new ATOM 0 HB3 ASN A 42 -6.440 -8.368 -7.054 1.00 12.10 H new ATOM 0 HD21 ASN A 42 -5.054 -4.944 -8.946 1.00 62.42 H new ATOM 0 HD22 ASN A 42 -4.153 -5.681 -7.616 1.00 62.42 H new ATOM 718 N GLU A 43 -6.064 -8.727 -3.835 1.00 41.31 N ATOM 719 CA GLU A 43 -6.501 -9.800 -2.914 1.00 13.01 C ATOM 720 C GLU A 43 -7.292 -9.229 -1.720 1.00 2.31 C ATOM 721 O GLU A 43 -8.352 -9.754 -1.361 1.00 21.34 O ATOM 722 CB GLU A 43 -5.276 -10.612 -2.401 1.00 64.52 C ATOM 723 CG GLU A 43 -4.560 -11.456 -3.479 1.00 20.42 C ATOM 724 CD GLU A 43 -5.463 -12.543 -4.091 1.00 4.13 C ATOM 725 OE1 GLU A 43 -5.758 -13.540 -3.400 1.00 54.21 O ATOM 726 OE2 GLU A 43 -5.902 -12.400 -5.253 1.00 61.13 O ATOM 0 H GLU A 43 -5.052 -8.607 -3.872 1.00 41.31 H new ATOM 0 HA GLU A 43 -7.160 -10.465 -3.472 1.00 13.01 H new ATOM 0 HB2 GLU A 43 -4.556 -9.920 -1.964 1.00 64.52 H new ATOM 0 HB3 GLU A 43 -5.606 -11.275 -1.601 1.00 64.52 H new ATOM 0 HG2 GLU A 43 -4.205 -10.797 -4.272 1.00 20.42 H new ATOM 0 HG3 GLU A 43 -3.681 -11.927 -3.039 1.00 20.42 H new ATOM 733 N ARG A 44 -6.750 -8.163 -1.111 1.00 62.01 N ATOM 734 CA ARG A 44 -7.341 -7.521 0.074 1.00 21.21 C ATOM 735 C ARG A 44 -8.651 -6.791 -0.273 1.00 60.54 C ATOM 736 O ARG A 44 -9.613 -6.837 0.501 1.00 55.40 O ATOM 737 CB ARG A 44 -6.325 -6.538 0.729 1.00 33.54 C ATOM 738 CG ARG A 44 -6.802 -5.832 2.036 1.00 42.12 C ATOM 739 CD ARG A 44 -6.941 -6.778 3.260 1.00 60.44 C ATOM 740 NE ARG A 44 -8.033 -7.780 3.109 1.00 1.11 N ATOM 741 CZ ARG A 44 -7.898 -9.112 3.271 1.00 70.51 C ATOM 742 NH1 ARG A 44 -6.724 -9.633 3.588 1.00 74.25 N ATOM 743 NH2 ARG A 44 -8.937 -9.914 3.077 1.00 24.11 N ATOM 0 H ARG A 44 -5.887 -7.721 -1.427 1.00 62.01 H new ATOM 0 HA ARG A 44 -7.579 -8.307 0.791 1.00 21.21 H new ATOM 0 HB2 ARG A 44 -5.409 -7.087 0.949 1.00 33.54 H new ATOM 0 HB3 ARG A 44 -6.069 -5.771 -0.002 1.00 33.54 H new ATOM 0 HG2 ARG A 44 -6.098 -5.038 2.284 1.00 42.12 H new ATOM 0 HG3 ARG A 44 -7.765 -5.357 1.848 1.00 42.12 H new ATOM 0 HD2 ARG A 44 -5.997 -7.300 3.416 1.00 60.44 H new ATOM 0 HD3 ARG A 44 -7.126 -6.181 4.153 1.00 60.44 H new ATOM 0 HE ARG A 44 -8.959 -7.430 2.863 1.00 1.11 H new ATOM 0 HH11 ARG A 44 -5.913 -9.026 3.712 1.00 74.25 H new ATOM 0 HH12 ARG A 44 -6.629 -10.641 3.709 1.00 74.25 H new ATOM 0 HH21 ARG A 44 -9.839 -9.523 2.805 1.00 24.11 H new ATOM 0 HH22 ARG A 44 -8.834 -10.921 3.200 1.00 24.11 H new ATOM 757 N MET A 45 -8.677 -6.132 -1.451 1.00 21.23 N ATOM 758 CA MET A 45 -9.826 -5.306 -1.884 1.00 34.15 C ATOM 759 C MET A 45 -10.893 -6.107 -2.648 1.00 50.23 C ATOM 760 O MET A 45 -11.973 -5.574 -2.903 1.00 30.14 O ATOM 761 CB MET A 45 -9.361 -4.080 -2.713 1.00 33.41 C ATOM 762 CG MET A 45 -8.571 -3.038 -1.903 1.00 74.10 C ATOM 763 SD MET A 45 -8.501 -1.428 -2.716 1.00 45.51 S ATOM 764 CE MET A 45 -10.241 -0.950 -2.732 1.00 15.25 C ATOM 0 H MET A 45 -7.910 -6.156 -2.123 1.00 21.23 H new ATOM 0 HA MET A 45 -10.299 -4.948 -0.969 1.00 34.15 H new ATOM 0 HB2 MET A 45 -8.742 -4.428 -3.540 1.00 33.41 H new ATOM 0 HB3 MET A 45 -10.235 -3.598 -3.150 1.00 33.41 H new ATOM 0 HG2 MET A 45 -9.029 -2.924 -0.921 1.00 74.10 H new ATOM 0 HG3 MET A 45 -7.557 -3.403 -1.741 1.00 74.10 H new ATOM 0 HE1 MET A 45 -10.320 0.137 -2.758 1.00 15.25 H new ATOM 0 HE2 MET A 45 -10.726 -1.370 -3.613 1.00 15.25 H new ATOM 0 HE3 MET A 45 -10.730 -1.328 -1.834 1.00 15.25 H new ATOM 774 N ASP A 46 -10.614 -7.378 -2.979 1.00 31.42 N ATOM 775 CA ASP A 46 -11.590 -8.254 -3.680 1.00 55.22 C ATOM 776 C ASP A 46 -12.870 -8.505 -2.808 1.00 22.44 C ATOM 777 O ASP A 46 -13.978 -8.277 -3.306 1.00 30.43 O ATOM 778 CB ASP A 46 -10.925 -9.587 -4.131 1.00 23.32 C ATOM 779 CG ASP A 46 -11.889 -10.542 -4.855 1.00 41.35 C ATOM 780 OD1 ASP A 46 -12.331 -10.220 -5.979 1.00 73.30 O ATOM 781 OD2 ASP A 46 -12.220 -11.612 -4.301 1.00 41.54 O ATOM 0 H ASP A 46 -9.722 -7.830 -2.776 1.00 31.42 H new ATOM 0 HA ASP A 46 -11.917 -7.733 -4.580 1.00 55.22 H new ATOM 0 HB2 ASP A 46 -10.088 -9.360 -4.791 1.00 23.32 H new ATOM 0 HB3 ASP A 46 -10.514 -10.092 -3.257 1.00 23.32 H new ATOM 786 N PRO A 47 -12.758 -8.950 -1.487 1.00 32.42 N ATOM 787 CA PRO A 47 -13.950 -9.113 -0.590 1.00 74.33 C ATOM 788 C PRO A 47 -14.630 -7.769 -0.248 1.00 71.21 C ATOM 789 O PRO A 47 -15.821 -7.729 0.081 1.00 11.13 O ATOM 790 CB PRO A 47 -13.353 -9.777 0.682 1.00 4.11 C ATOM 791 CG PRO A 47 -11.917 -9.354 0.683 1.00 25.15 C ATOM 792 CD PRO A 47 -11.507 -9.352 -0.772 1.00 63.31 C ATOM 0 HA PRO A 47 -14.737 -9.701 -1.062 1.00 74.33 H new ATOM 0 HB2 PRO A 47 -13.867 -9.442 1.583 1.00 4.11 H new ATOM 0 HB3 PRO A 47 -13.448 -10.862 0.646 1.00 4.11 H new ATOM 0 HG2 PRO A 47 -11.797 -8.366 1.128 1.00 25.15 H new ATOM 0 HG3 PRO A 47 -11.304 -10.042 1.265 1.00 25.15 H new ATOM 0 HD2 PRO A 47 -10.695 -8.650 -0.959 1.00 63.31 H new ATOM 0 HD3 PRO A 47 -11.160 -10.334 -1.092 1.00 63.31 H new ATOM 800 N ILE A 48 -13.851 -6.678 -0.353 1.00 41.20 N ATOM 801 CA ILE A 48 -14.310 -5.303 -0.078 1.00 34.42 C ATOM 802 C ILE A 48 -15.353 -4.870 -1.135 1.00 71.44 C ATOM 803 O ILE A 48 -16.276 -4.095 -0.845 1.00 55.54 O ATOM 804 CB ILE A 48 -13.073 -4.326 -0.053 1.00 14.15 C ATOM 805 CG1 ILE A 48 -12.029 -4.781 1.025 1.00 21.34 C ATOM 806 CG2 ILE A 48 -13.489 -2.856 0.155 1.00 3.43 C ATOM 807 CD1 ILE A 48 -12.537 -4.853 2.453 1.00 1.43 C ATOM 0 H ILE A 48 -12.872 -6.726 -0.635 1.00 41.20 H new ATOM 0 HA ILE A 48 -14.792 -5.266 0.899 1.00 34.42 H new ATOM 0 HB ILE A 48 -12.600 -4.379 -1.034 1.00 14.15 H new ATOM 0 HG12 ILE A 48 -11.652 -5.764 0.744 1.00 21.34 H new ATOM 0 HG13 ILE A 48 -11.183 -4.094 0.995 1.00 21.34 H new ATOM 0 HG21 ILE A 48 -12.601 -2.224 0.165 1.00 3.43 H new ATOM 0 HG22 ILE A 48 -14.146 -2.545 -0.657 1.00 3.43 H new ATOM 0 HG23 ILE A 48 -14.014 -2.757 1.105 1.00 3.43 H new ATOM 0 HD11 ILE A 48 -11.730 -5.178 3.110 1.00 1.43 H new ATOM 0 HD12 ILE A 48 -12.885 -3.868 2.765 1.00 1.43 H new ATOM 0 HD13 ILE A 48 -13.361 -5.564 2.511 1.00 1.43 H new ATOM 819 N LYS A 49 -15.205 -5.428 -2.350 1.00 53.23 N ATOM 820 CA LYS A 49 -16.150 -5.214 -3.457 1.00 4.33 C ATOM 821 C LYS A 49 -17.489 -5.918 -3.170 1.00 74.44 C ATOM 822 O LYS A 49 -18.551 -5.407 -3.540 1.00 35.33 O ATOM 823 CB LYS A 49 -15.527 -5.708 -4.794 1.00 5.03 C ATOM 824 CG LYS A 49 -14.170 -5.044 -5.115 1.00 45.43 C ATOM 825 CD LYS A 49 -13.461 -5.624 -6.363 1.00 2.55 C ATOM 826 CE LYS A 49 -12.066 -4.993 -6.579 1.00 4.50 C ATOM 827 NZ LYS A 49 -11.399 -5.486 -7.812 1.00 45.31 N ATOM 0 H LYS A 49 -14.426 -6.040 -2.591 1.00 53.23 H new ATOM 0 HA LYS A 49 -16.351 -4.147 -3.549 1.00 4.33 H new ATOM 0 HB2 LYS A 49 -15.393 -6.789 -4.748 1.00 5.03 H new ATOM 0 HB3 LYS A 49 -16.224 -5.508 -5.608 1.00 5.03 H new ATOM 0 HG2 LYS A 49 -14.327 -3.976 -5.263 1.00 45.43 H new ATOM 0 HG3 LYS A 49 -13.512 -5.153 -4.253 1.00 45.43 H new ATOM 0 HD2 LYS A 49 -13.358 -6.704 -6.253 1.00 2.55 H new ATOM 0 HD3 LYS A 49 -14.078 -5.451 -7.245 1.00 2.55 H new ATOM 0 HE2 LYS A 49 -12.166 -3.909 -6.634 1.00 4.50 H new ATOM 0 HE3 LYS A 49 -11.435 -5.212 -5.717 1.00 4.50 H new ATOM 0 HZ1 LYS A 49 -10.468 -5.032 -7.909 1.00 45.31 H new ATOM 0 HZ2 LYS A 49 -11.276 -6.517 -7.752 1.00 45.31 H new ATOM 0 HZ3 LYS A 49 -11.985 -5.255 -8.640 1.00 45.31 H new ATOM 841 N LYS A 50 -17.421 -7.088 -2.493 1.00 55.15 N ATOM 842 CA LYS A 50 -18.618 -7.868 -2.105 1.00 11.42 C ATOM 843 C LYS A 50 -19.362 -7.205 -0.926 1.00 20.05 C ATOM 844 O LYS A 50 -20.576 -7.384 -0.773 1.00 44.50 O ATOM 845 CB LYS A 50 -18.228 -9.323 -1.746 1.00 71.45 C ATOM 846 CG LYS A 50 -19.433 -10.293 -1.612 1.00 71.41 C ATOM 847 CD LYS A 50 -19.065 -11.710 -1.099 1.00 40.01 C ATOM 848 CE LYS A 50 -18.186 -12.531 -2.073 1.00 65.24 C ATOM 849 NZ LYS A 50 -16.792 -12.030 -2.183 1.00 71.44 N ATOM 0 H LYS A 50 -16.541 -7.515 -2.202 1.00 55.15 H new ATOM 0 HA LYS A 50 -19.293 -7.888 -2.961 1.00 11.42 H new ATOM 0 HB2 LYS A 50 -17.552 -9.705 -2.511 1.00 71.45 H new ATOM 0 HB3 LYS A 50 -17.675 -9.317 -0.807 1.00 71.45 H new ATOM 0 HG2 LYS A 50 -20.163 -9.853 -0.933 1.00 71.41 H new ATOM 0 HG3 LYS A 50 -19.917 -10.387 -2.584 1.00 71.41 H new ATOM 0 HD2 LYS A 50 -18.541 -11.615 -0.148 1.00 40.01 H new ATOM 0 HD3 LYS A 50 -19.984 -12.263 -0.903 1.00 40.01 H new ATOM 0 HE2 LYS A 50 -18.165 -13.569 -1.742 1.00 65.24 H new ATOM 0 HE3 LYS A 50 -18.646 -12.520 -3.061 1.00 65.24 H new ATOM 0 HZ1 LYS A 50 -16.132 -12.834 -2.175 1.00 71.44 H new ATOM 0 HZ2 LYS A 50 -16.682 -11.501 -3.072 1.00 71.44 H new ATOM 0 HZ3 LYS A 50 -16.584 -11.403 -1.379 1.00 71.44 H new ATOM 863 N LEU A 51 -18.624 -6.444 -0.102 1.00 13.00 N ATOM 864 CA LEU A 51 -19.223 -5.624 0.972 1.00 24.23 C ATOM 865 C LEU A 51 -19.973 -4.441 0.339 1.00 31.53 C ATOM 866 O LEU A 51 -21.114 -4.134 0.714 1.00 62.33 O ATOM 867 CB LEU A 51 -18.135 -5.130 1.956 1.00 62.33 C ATOM 868 CG LEU A 51 -17.337 -6.243 2.705 1.00 11.22 C ATOM 869 CD1 LEU A 51 -16.192 -5.642 3.536 1.00 54.54 C ATOM 870 CD2 LEU A 51 -18.266 -7.111 3.586 1.00 3.34 C ATOM 0 H LEU A 51 -17.608 -6.377 -0.157 1.00 13.00 H new ATOM 0 HA LEU A 51 -19.927 -6.230 1.543 1.00 24.23 H new ATOM 0 HB2 LEU A 51 -17.427 -4.511 1.404 1.00 62.33 H new ATOM 0 HB3 LEU A 51 -18.609 -4.487 2.698 1.00 62.33 H new ATOM 0 HG LEU A 51 -16.897 -6.894 1.949 1.00 11.22 H new ATOM 0 HD11 LEU A 51 -15.654 -6.441 4.046 1.00 54.54 H new ATOM 0 HD12 LEU A 51 -15.507 -5.106 2.878 1.00 54.54 H new ATOM 0 HD13 LEU A 51 -16.601 -4.952 4.274 1.00 54.54 H new ATOM 0 HD21 LEU A 51 -17.677 -7.876 4.093 1.00 3.34 H new ATOM 0 HD22 LEU A 51 -18.757 -6.481 4.327 1.00 3.34 H new ATOM 0 HD23 LEU A 51 -19.019 -7.589 2.960 1.00 3.34 H new ATOM 882 N GLY A 52 -19.316 -3.801 -0.641 1.00 63.14 N ATOM 883 CA GLY A 52 -19.946 -2.782 -1.477 1.00 24.44 C ATOM 884 C GLY A 52 -19.869 -1.370 -0.922 1.00 42.41 C ATOM 885 O GLY A 52 -20.622 -0.499 -1.361 1.00 42.14 O ATOM 0 H GLY A 52 -18.338 -3.978 -0.871 1.00 63.14 H new ATOM 0 HA2 GLY A 52 -19.477 -2.797 -2.461 1.00 24.44 H new ATOM 0 HA3 GLY A 52 -20.994 -3.045 -1.620 1.00 24.44 H new ATOM 889 N CYS A 53 -18.954 -1.145 0.030 1.00 5.22 N ATOM 890 CA CYS A 53 -18.680 0.187 0.600 1.00 10.15 C ATOM 891 C CYS A 53 -18.167 1.142 -0.502 1.00 54.01 C ATOM 892 O CYS A 53 -17.172 0.834 -1.167 1.00 12.51 O ATOM 893 CB CYS A 53 -17.636 0.032 1.717 1.00 70.11 C ATOM 894 SG CYS A 53 -16.203 -0.960 1.196 1.00 51.43 S ATOM 0 H CYS A 53 -18.378 -1.885 0.431 1.00 5.22 H new ATOM 0 HA CYS A 53 -19.594 0.615 1.012 1.00 10.15 H new ATOM 0 HB2 CYS A 53 -17.296 1.019 2.032 1.00 70.11 H new ATOM 0 HB3 CYS A 53 -18.102 -0.436 2.584 1.00 70.11 H new ATOM 899 N LYS A 54 -18.877 2.278 -0.698 1.00 31.31 N ATOM 900 CA LYS A 54 -18.553 3.265 -1.753 1.00 31.12 C ATOM 901 C LYS A 54 -17.157 3.869 -1.514 1.00 75.13 C ATOM 902 O LYS A 54 -16.277 3.798 -2.378 1.00 2.45 O ATOM 903 CB LYS A 54 -19.607 4.414 -1.808 1.00 54.33 C ATOM 904 CG LYS A 54 -21.088 3.982 -1.897 1.00 61.32 C ATOM 905 CD LYS A 54 -21.394 3.056 -3.098 1.00 30.40 C ATOM 906 CE LYS A 54 -22.909 2.883 -3.328 1.00 12.45 C ATOM 907 NZ LYS A 54 -23.631 2.443 -2.097 1.00 63.43 N ATOM 0 H LYS A 54 -19.686 2.534 -0.132 1.00 31.31 H new ATOM 0 HA LYS A 54 -18.567 2.736 -2.706 1.00 31.12 H new ATOM 0 HB2 LYS A 54 -19.484 5.033 -0.920 1.00 54.33 H new ATOM 0 HB3 LYS A 54 -19.382 5.043 -2.669 1.00 54.33 H new ATOM 0 HG2 LYS A 54 -21.364 3.470 -0.975 1.00 61.32 H new ATOM 0 HG3 LYS A 54 -21.713 4.872 -1.967 1.00 61.32 H new ATOM 0 HD2 LYS A 54 -20.936 3.467 -3.998 1.00 30.40 H new ATOM 0 HD3 LYS A 54 -20.940 2.080 -2.927 1.00 30.40 H new ATOM 0 HE2 LYS A 54 -23.330 3.827 -3.674 1.00 12.45 H new ATOM 0 HE3 LYS A 54 -23.071 2.152 -4.120 1.00 12.45 H new ATOM 0 HZ1 LYS A 54 -24.625 2.244 -2.330 1.00 63.43 H new ATOM 0 HZ2 LYS A 54 -23.184 1.582 -1.722 1.00 63.43 H new ATOM 0 HZ3 LYS A 54 -23.587 3.196 -1.381 1.00 63.43 H new ATOM 921 N ARG A 55 -16.980 4.464 -0.321 1.00 25.32 N ATOM 922 CA ARG A 55 -15.701 5.036 0.111 1.00 63.23 C ATOM 923 C ARG A 55 -15.041 4.087 1.114 1.00 20.13 C ATOM 924 O ARG A 55 -15.677 3.674 2.089 1.00 70.20 O ATOM 925 CB ARG A 55 -15.904 6.438 0.742 1.00 12.31 C ATOM 926 CG ARG A 55 -14.584 7.160 1.106 1.00 71.54 C ATOM 927 CD ARG A 55 -14.785 8.589 1.637 1.00 55.21 C ATOM 928 NE ARG A 55 -15.477 8.622 2.940 1.00 52.04 N ATOM 929 CZ ARG A 55 -15.375 9.615 3.840 1.00 5.34 C ATOM 930 NH1 ARG A 55 -14.609 10.682 3.609 1.00 52.35 N ATOM 931 NH2 ARG A 55 -16.056 9.539 4.972 1.00 12.13 N ATOM 0 H ARG A 55 -17.725 4.560 0.370 1.00 25.32 H new ATOM 0 HA ARG A 55 -15.054 5.156 -0.758 1.00 63.23 H new ATOM 0 HB2 ARG A 55 -16.467 7.060 0.047 1.00 12.31 H new ATOM 0 HB3 ARG A 55 -16.511 6.336 1.642 1.00 12.31 H new ATOM 0 HG2 ARG A 55 -14.055 6.574 1.858 1.00 71.54 H new ATOM 0 HG3 ARG A 55 -13.945 7.197 0.223 1.00 71.54 H new ATOM 0 HD2 ARG A 55 -13.815 9.076 1.734 1.00 55.21 H new ATOM 0 HD3 ARG A 55 -15.359 9.164 0.911 1.00 55.21 H new ATOM 0 HE ARG A 55 -16.078 7.832 3.175 1.00 52.04 H new ATOM 0 HH11 ARG A 55 -14.087 10.755 2.736 1.00 52.35 H new ATOM 0 HH12 ARG A 55 -14.546 11.425 4.305 1.00 52.35 H new ATOM 0 HH21 ARG A 55 -16.652 8.732 5.155 1.00 12.13 H new ATOM 0 HH22 ARG A 55 -15.985 10.288 5.661 1.00 12.13 H new ATOM 945 N VAL A 56 -13.774 3.738 0.864 1.00 41.12 N ATOM 946 CA VAL A 56 -12.968 2.896 1.763 1.00 73.33 C ATOM 947 C VAL A 56 -11.784 3.707 2.295 1.00 25.42 C ATOM 948 O VAL A 56 -11.219 4.552 1.578 1.00 11.42 O ATOM 949 CB VAL A 56 -12.464 1.587 1.044 1.00 21.22 C ATOM 950 CG1 VAL A 56 -13.654 0.730 0.585 1.00 72.34 C ATOM 951 CG2 VAL A 56 -11.530 1.895 -0.150 1.00 75.32 C ATOM 0 H VAL A 56 -13.273 4.033 0.026 1.00 41.12 H new ATOM 0 HA VAL A 56 -13.599 2.582 2.595 1.00 73.33 H new ATOM 0 HB VAL A 56 -11.881 1.026 1.774 1.00 21.22 H new ATOM 0 HG11 VAL A 56 -13.286 -0.169 0.091 1.00 72.34 H new ATOM 0 HG12 VAL A 56 -14.255 0.449 1.450 1.00 72.34 H new ATOM 0 HG13 VAL A 56 -14.267 1.302 -0.112 1.00 72.34 H new ATOM 0 HG21 VAL A 56 -11.210 0.961 -0.612 1.00 75.32 H new ATOM 0 HG22 VAL A 56 -12.064 2.498 -0.884 1.00 75.32 H new ATOM 0 HG23 VAL A 56 -10.657 2.443 0.203 1.00 75.32 H new ATOM 961 N ARG A 57 -11.433 3.476 3.565 1.00 73.05 N ATOM 962 CA ARG A 57 -10.290 4.130 4.206 1.00 44.10 C ATOM 963 C ARG A 57 -9.112 3.153 4.213 1.00 12.42 C ATOM 964 O ARG A 57 -9.077 2.216 5.011 1.00 23.41 O ATOM 965 CB ARG A 57 -10.682 4.576 5.646 1.00 14.45 C ATOM 966 CG ARG A 57 -9.525 5.193 6.468 1.00 5.24 C ATOM 967 CD ARG A 57 -9.991 5.716 7.837 1.00 44.52 C ATOM 968 NE ARG A 57 -10.838 6.920 7.708 1.00 3.32 N ATOM 969 CZ ARG A 57 -11.856 7.261 8.518 1.00 10.11 C ATOM 970 NH1 ARG A 57 -12.197 6.502 9.552 1.00 13.41 N ATOM 971 NH2 ARG A 57 -12.517 8.387 8.290 1.00 5.43 N ATOM 0 H ARG A 57 -11.934 2.831 4.176 1.00 73.05 H new ATOM 0 HA ARG A 57 -9.996 5.024 3.656 1.00 44.10 H new ATOM 0 HB2 ARG A 57 -11.491 5.304 5.579 1.00 14.45 H new ATOM 0 HB3 ARG A 57 -11.073 3.713 6.185 1.00 14.45 H new ATOM 0 HG2 ARG A 57 -8.747 4.444 6.614 1.00 5.24 H new ATOM 0 HG3 ARG A 57 -9.078 6.011 5.903 1.00 5.24 H new ATOM 0 HD2 ARG A 57 -10.548 4.934 8.354 1.00 44.52 H new ATOM 0 HD3 ARG A 57 -9.122 5.948 8.452 1.00 44.52 H new ATOM 0 HE ARG A 57 -10.632 7.551 6.933 1.00 3.32 H new ATOM 0 HH11 ARG A 57 -11.684 5.642 9.745 1.00 13.41 H new ATOM 0 HH12 ARG A 57 -12.972 6.779 10.154 1.00 13.41 H new ATOM 0 HH21 ARG A 57 -12.252 8.984 7.507 1.00 5.43 H new ATOM 0 HH22 ARG A 57 -13.291 8.656 8.898 1.00 5.43 H new ATOM 985 N ILE A 58 -8.160 3.378 3.301 1.00 23.42 N ATOM 986 CA ILE A 58 -6.953 2.556 3.177 1.00 40.23 C ATOM 987 C ILE A 58 -5.790 3.321 3.823 1.00 25.34 C ATOM 988 O ILE A 58 -5.693 4.539 3.688 1.00 0.34 O ATOM 989 CB ILE A 58 -6.618 2.223 1.668 1.00 52.01 C ATOM 990 CG1 ILE A 58 -7.877 1.673 0.917 1.00 1.11 C ATOM 991 CG2 ILE A 58 -5.437 1.223 1.563 1.00 2.43 C ATOM 992 CD1 ILE A 58 -7.687 1.442 -0.582 1.00 64.03 C ATOM 0 H ILE A 58 -8.206 4.140 2.625 1.00 23.42 H new ATOM 0 HA ILE A 58 -7.117 1.603 3.681 1.00 40.23 H new ATOM 0 HB ILE A 58 -6.317 3.153 1.186 1.00 52.01 H new ATOM 0 HG12 ILE A 58 -8.174 0.732 1.379 1.00 1.11 H new ATOM 0 HG13 ILE A 58 -8.701 2.373 1.060 1.00 1.11 H new ATOM 0 HG21 ILE A 58 -5.230 1.013 0.514 1.00 2.43 H new ATOM 0 HG22 ILE A 58 -4.551 1.656 2.028 1.00 2.43 H new ATOM 0 HG23 ILE A 58 -5.699 0.296 2.073 1.00 2.43 H new ATOM 0 HD11 ILE A 58 -8.613 1.061 -1.012 1.00 64.03 H new ATOM 0 HD12 ILE A 58 -7.423 2.383 -1.065 1.00 64.03 H new ATOM 0 HD13 ILE A 58 -6.889 0.717 -0.740 1.00 64.03 H new ATOM 1004 N SER A 59 -4.935 2.595 4.536 1.00 25.13 N ATOM 1005 CA SER A 59 -3.728 3.133 5.144 1.00 14.53 C ATOM 1006 C SER A 59 -2.639 2.074 5.006 1.00 40.14 C ATOM 1007 O SER A 59 -2.662 1.041 5.689 1.00 12.10 O ATOM 1008 CB SER A 59 -3.976 3.518 6.627 1.00 60.32 C ATOM 1009 OG SER A 59 -2.830 4.133 7.198 1.00 13.42 O ATOM 0 H SER A 59 -5.066 1.598 4.709 1.00 25.13 H new ATOM 0 HA SER A 59 -3.418 4.050 4.642 1.00 14.53 H new ATOM 0 HB2 SER A 59 -4.826 4.197 6.692 1.00 60.32 H new ATOM 0 HB3 SER A 59 -4.236 2.627 7.198 1.00 60.32 H new ATOM 0 HG SER A 59 -3.015 4.366 8.132 1.00 13.42 H new ATOM 1015 N ILE A 60 -1.724 2.311 4.065 1.00 54.22 N ATOM 1016 CA ILE A 60 -0.627 1.396 3.761 1.00 30.35 C ATOM 1017 C ILE A 60 0.652 1.953 4.375 1.00 41.54 C ATOM 1018 O ILE A 60 1.178 2.974 3.916 1.00 72.04 O ATOM 1019 CB ILE A 60 -0.459 1.214 2.209 1.00 54.23 C ATOM 1020 CG1 ILE A 60 -1.770 0.632 1.599 1.00 62.53 C ATOM 1021 CG2 ILE A 60 0.766 0.327 1.858 1.00 74.31 C ATOM 1022 CD1 ILE A 60 -1.763 0.508 0.091 1.00 64.11 C ATOM 0 H ILE A 60 -1.725 3.152 3.488 1.00 54.22 H new ATOM 0 HA ILE A 60 -0.845 0.415 4.183 1.00 30.35 H new ATOM 0 HB ILE A 60 -0.271 2.194 1.771 1.00 54.23 H new ATOM 0 HG12 ILE A 60 -1.950 -0.353 2.030 1.00 62.53 H new ATOM 0 HG13 ILE A 60 -2.605 1.267 1.894 1.00 62.53 H new ATOM 0 HG21 ILE A 60 0.845 0.227 0.775 1.00 74.31 H new ATOM 0 HG22 ILE A 60 1.673 0.789 2.247 1.00 74.31 H new ATOM 0 HG23 ILE A 60 0.641 -0.659 2.305 1.00 74.31 H new ATOM 0 HD11 ILE A 60 -2.714 0.095 -0.245 1.00 64.11 H new ATOM 0 HD12 ILE A 60 -1.618 1.492 -0.354 1.00 64.11 H new ATOM 0 HD13 ILE A 60 -0.952 -0.152 -0.216 1.00 64.11 H new ATOM 1034 N ARG A 61 1.119 1.313 5.446 1.00 33.34 N ATOM 1035 CA ARG A 61 2.403 1.649 6.054 1.00 30.31 C ATOM 1036 C ARG A 61 3.429 0.605 5.627 1.00 44.51 C ATOM 1037 O ARG A 61 3.167 -0.596 5.710 1.00 51.24 O ATOM 1038 CB ARG A 61 2.305 1.700 7.599 1.00 41.11 C ATOM 1039 CG ARG A 61 3.570 2.286 8.262 1.00 71.02 C ATOM 1040 CD ARG A 61 3.502 2.314 9.792 1.00 50.33 C ATOM 1041 NE ARG A 61 4.573 3.160 10.339 1.00 13.14 N ATOM 1042 CZ ARG A 61 5.477 2.799 11.261 1.00 11.42 C ATOM 1043 NH1 ARG A 61 5.477 1.580 11.782 1.00 60.21 N ATOM 1044 NH2 ARG A 61 6.381 3.670 11.659 1.00 41.12 N ATOM 0 H ARG A 61 0.622 0.554 5.912 1.00 33.34 H new ATOM 0 HA ARG A 61 2.706 2.640 5.716 1.00 30.31 H new ATOM 0 HB2 ARG A 61 1.441 2.300 7.884 1.00 41.11 H new ATOM 0 HB3 ARG A 61 2.134 0.693 7.981 1.00 41.11 H new ATOM 0 HG2 ARG A 61 4.436 1.699 7.956 1.00 71.02 H new ATOM 0 HG3 ARG A 61 3.726 3.300 7.895 1.00 71.02 H new ATOM 0 HD2 ARG A 61 2.531 2.693 10.112 1.00 50.33 H new ATOM 0 HD3 ARG A 61 3.594 1.301 10.185 1.00 50.33 H new ATOM 0 HE ARG A 61 4.634 4.114 9.983 1.00 13.14 H new ATOM 0 HH11 ARG A 61 4.781 0.897 11.482 1.00 60.21 H new ATOM 0 HH12 ARG A 61 6.173 1.325 12.482 1.00 60.21 H new ATOM 0 HH21 ARG A 61 6.390 4.611 11.266 1.00 41.12 H new ATOM 0 HH22 ARG A 61 7.072 3.403 12.360 1.00 41.12 H new ATOM 1058 N VAL A 62 4.592 1.068 5.175 1.00 75.13 N ATOM 1059 CA VAL A 62 5.717 0.196 4.834 1.00 55.25 C ATOM 1060 C VAL A 62 6.630 0.132 6.076 1.00 41.43 C ATOM 1061 O VAL A 62 6.784 1.142 6.778 1.00 31.31 O ATOM 1062 CB VAL A 62 6.464 0.740 3.549 1.00 60.23 C ATOM 1063 CG1 VAL A 62 7.318 2.007 3.827 1.00 43.01 C ATOM 1064 CG2 VAL A 62 7.303 -0.359 2.874 1.00 34.20 C ATOM 0 H VAL A 62 4.783 2.060 5.034 1.00 75.13 H new ATOM 0 HA VAL A 62 5.386 -0.811 4.580 1.00 55.25 H new ATOM 0 HB VAL A 62 5.681 1.044 2.855 1.00 60.23 H new ATOM 0 HG11 VAL A 62 7.803 2.328 2.905 1.00 43.01 H new ATOM 0 HG12 VAL A 62 6.675 2.806 4.196 1.00 43.01 H new ATOM 0 HG13 VAL A 62 8.077 1.778 4.575 1.00 43.01 H new ATOM 0 HG21 VAL A 62 7.801 0.051 1.996 1.00 34.20 H new ATOM 0 HG22 VAL A 62 8.051 -0.729 3.576 1.00 34.20 H new ATOM 0 HG23 VAL A 62 6.652 -1.180 2.572 1.00 34.20 H new ATOM 1074 N LYS A 63 7.168 -1.055 6.407 1.00 30.41 N ATOM 1075 CA LYS A 63 7.980 -1.215 7.631 1.00 53.52 C ATOM 1076 C LYS A 63 9.423 -0.767 7.362 1.00 41.42 C ATOM 1077 O LYS A 63 10.008 -1.088 6.323 1.00 64.21 O ATOM 1078 CB LYS A 63 7.923 -2.661 8.181 1.00 70.54 C ATOM 1079 CG LYS A 63 8.456 -2.817 9.628 1.00 73.25 C ATOM 1080 CD LYS A 63 8.123 -4.197 10.236 1.00 53.22 C ATOM 1081 CE LYS A 63 8.687 -4.389 11.651 1.00 15.51 C ATOM 1082 NZ LYS A 63 8.381 -5.740 12.186 1.00 14.01 N ATOM 0 H LYS A 63 7.059 -1.906 5.856 1.00 30.41 H new ATOM 0 HA LYS A 63 7.557 -0.577 8.406 1.00 53.52 H new ATOM 0 HB2 LYS A 63 6.891 -3.009 8.148 1.00 70.54 H new ATOM 0 HB3 LYS A 63 8.500 -3.310 7.522 1.00 70.54 H new ATOM 0 HG2 LYS A 63 9.537 -2.674 9.631 1.00 73.25 H new ATOM 0 HG3 LYS A 63 8.029 -2.035 10.255 1.00 73.25 H new ATOM 0 HD2 LYS A 63 7.041 -4.323 10.264 1.00 53.22 H new ATOM 0 HD3 LYS A 63 8.518 -4.978 9.586 1.00 53.22 H new ATOM 0 HE2 LYS A 63 9.767 -4.240 11.636 1.00 15.51 H new ATOM 0 HE3 LYS A 63 8.270 -3.632 12.315 1.00 15.51 H new ATOM 0 HZ1 LYS A 63 9.036 -5.962 12.963 1.00 14.01 H new ATOM 0 HZ2 LYS A 63 7.404 -5.760 12.541 1.00 14.01 H new ATOM 0 HZ3 LYS A 63 8.489 -6.446 11.430 1.00 14.01 H new ATOM 1096 N HIS A 64 9.975 -0.032 8.323 1.00 30.12 N ATOM 1097 CA HIS A 64 11.241 0.681 8.193 1.00 23.44 C ATOM 1098 C HIS A 64 12.326 -0.063 8.975 1.00 4.32 C ATOM 1099 O HIS A 64 12.139 -0.372 10.158 1.00 2.05 O ATOM 1100 CB HIS A 64 11.042 2.131 8.702 1.00 50.41 C ATOM 1101 CG HIS A 64 10.041 2.921 7.896 1.00 61.33 C ATOM 1102 ND1 HIS A 64 8.718 3.053 8.257 1.00 4.24 N ATOM 1103 CD2 HIS A 64 10.181 3.611 6.737 1.00 55.12 C ATOM 1104 CE1 HIS A 64 8.094 3.789 7.358 1.00 35.33 C ATOM 1105 NE2 HIS A 64 8.957 4.141 6.425 1.00 52.11 N ATOM 0 H HIS A 64 9.542 0.087 9.239 1.00 30.12 H new ATOM 0 HA HIS A 64 11.563 0.725 7.153 1.00 23.44 H new ATOM 0 HB2 HIS A 64 10.716 2.101 9.742 1.00 50.41 H new ATOM 0 HB3 HIS A 64 12.001 2.649 8.683 1.00 50.41 H new ATOM 0 HD2 HIS A 64 11.090 3.722 6.165 1.00 55.12 H new ATOM 0 HE1 HIS A 64 7.049 4.059 7.382 1.00 35.33 H new ATOM 0 HE2 HIS A 64 8.748 4.713 5.607 1.00 52.11 H new ATOM 1114 N SER A 65 13.450 -0.359 8.302 1.00 63.44 N ATOM 1115 CA SER A 65 14.519 -1.221 8.837 1.00 55.15 C ATOM 1116 C SER A 65 15.480 -0.430 9.746 1.00 64.10 C ATOM 1117 O SER A 65 15.808 -0.875 10.852 1.00 53.42 O ATOM 1118 CB SER A 65 15.287 -1.875 7.660 1.00 53.22 C ATOM 1119 OG SER A 65 16.223 -2.849 8.104 1.00 64.23 O ATOM 0 H SER A 65 13.645 -0.005 7.365 1.00 63.44 H new ATOM 0 HA SER A 65 14.066 -2.000 9.450 1.00 55.15 H new ATOM 0 HB2 SER A 65 14.575 -2.342 6.979 1.00 53.22 H new ATOM 0 HB3 SER A 65 15.809 -1.103 7.095 1.00 53.22 H new ATOM 0 HG SER A 65 16.952 -2.923 7.453 1.00 64.23 H new ATOM 1125 N ASP A 66 15.930 0.739 9.267 1.00 74.23 N ATOM 1126 CA ASP A 66 16.940 1.572 9.962 1.00 63.14 C ATOM 1127 C ASP A 66 16.270 2.862 10.527 1.00 31.42 C ATOM 1128 O ASP A 66 15.515 2.760 11.502 1.00 15.25 O ATOM 1129 CB ASP A 66 18.128 1.846 8.986 1.00 3.34 C ATOM 1130 CG ASP A 66 19.264 2.688 9.596 1.00 40.43 C ATOM 1131 OD1 ASP A 66 20.023 2.158 10.427 1.00 33.33 O ATOM 1132 OD2 ASP A 66 19.372 3.899 9.279 1.00 4.30 O ATOM 0 H ASP A 66 15.608 1.140 8.386 1.00 74.23 H new ATOM 0 HA ASP A 66 17.354 1.052 10.826 1.00 63.14 H new ATOM 0 HB2 ASP A 66 18.537 0.892 8.652 1.00 3.34 H new ATOM 0 HB3 ASP A 66 17.747 2.357 8.102 1.00 3.34 H new ATOM 1137 N ALA A 67 16.502 4.034 9.874 1.00 11.23 N ATOM 1138 CA ALA A 67 15.991 5.358 10.286 1.00 75.54 C ATOM 1139 C ALA A 67 16.559 6.405 9.318 1.00 33.15 C ATOM 1140 O ALA A 67 15.809 7.069 8.594 1.00 4.34 O ATOM 1141 CB ALA A 67 16.363 5.710 11.743 1.00 34.13 C ATOM 0 H ALA A 67 17.065 4.078 9.025 1.00 11.23 H new ATOM 0 HA ALA A 67 14.902 5.342 10.247 1.00 75.54 H new ATOM 0 HB1 ALA A 67 15.963 6.693 11.993 1.00 34.13 H new ATOM 0 HB2 ALA A 67 15.941 4.964 12.417 1.00 34.13 H new ATOM 0 HB3 ALA A 67 17.448 5.722 11.849 1.00 34.13 H new ATOM 1147 N ALA A 68 17.905 6.492 9.283 1.00 0.52 N ATOM 1148 CA ALA A 68 18.643 7.415 8.399 1.00 73.52 C ATOM 1149 C ALA A 68 18.548 6.951 6.944 1.00 30.33 C ATOM 1150 O ALA A 68 18.335 7.764 6.033 1.00 11.10 O ATOM 1151 CB ALA A 68 20.110 7.510 8.837 1.00 64.03 C ATOM 0 H ALA A 68 18.512 5.921 9.870 1.00 0.52 H new ATOM 0 HA ALA A 68 18.193 8.405 8.475 1.00 73.52 H new ATOM 0 HB1 ALA A 68 20.643 8.194 8.177 1.00 64.03 H new ATOM 0 HB2 ALA A 68 20.161 7.880 9.861 1.00 64.03 H new ATOM 0 HB3 ALA A 68 20.570 6.523 8.785 1.00 64.03 H new ATOM 1157 N GLU A 69 18.699 5.629 6.745 1.00 13.42 N ATOM 1158 CA GLU A 69 18.497 4.984 5.439 1.00 43.42 C ATOM 1159 C GLU A 69 17.050 5.161 4.973 1.00 23.54 C ATOM 1160 O GLU A 69 16.806 5.378 3.795 1.00 24.23 O ATOM 1161 CB GLU A 69 18.847 3.472 5.505 1.00 10.21 C ATOM 1162 CG GLU A 69 20.338 3.170 5.770 1.00 5.51 C ATOM 1163 CD GLU A 69 21.268 3.808 4.717 1.00 5.43 C ATOM 1164 OE1 GLU A 69 21.260 3.361 3.552 1.00 41.13 O ATOM 1165 OE2 GLU A 69 22.003 4.762 5.040 1.00 34.11 O ATOM 0 H GLU A 69 18.964 4.980 7.486 1.00 13.42 H new ATOM 0 HA GLU A 69 19.164 5.464 4.723 1.00 43.42 H new ATOM 0 HB2 GLU A 69 18.250 3.008 6.290 1.00 10.21 H new ATOM 0 HB3 GLU A 69 18.556 3.003 4.565 1.00 10.21 H new ATOM 0 HG2 GLU A 69 20.609 3.538 6.760 1.00 5.51 H new ATOM 0 HG3 GLU A 69 20.491 2.091 5.778 1.00 5.51 H new ATOM 1172 N GLU A 70 16.108 5.124 5.933 1.00 21.52 N ATOM 1173 CA GLU A 70 14.660 5.171 5.648 1.00 25.01 C ATOM 1174 C GLU A 70 14.201 6.570 5.214 1.00 3.12 C ATOM 1175 O GLU A 70 13.163 6.700 4.573 1.00 71.14 O ATOM 1176 CB GLU A 70 13.861 4.705 6.880 1.00 21.14 C ATOM 1177 CG GLU A 70 14.335 3.356 7.459 1.00 23.12 C ATOM 1178 CD GLU A 70 14.387 2.204 6.435 1.00 2.12 C ATOM 1179 OE1 GLU A 70 13.335 1.889 5.836 1.00 34.33 O ATOM 1180 OE2 GLU A 70 15.462 1.576 6.279 1.00 44.11 O ATOM 0 H GLU A 70 16.327 5.061 6.927 1.00 21.52 H new ATOM 0 HA GLU A 70 14.469 4.494 4.815 1.00 25.01 H new ATOM 0 HB2 GLU A 70 13.932 5.467 7.656 1.00 21.14 H new ATOM 0 HB3 GLU A 70 12.809 4.623 6.609 1.00 21.14 H new ATOM 0 HG2 GLU A 70 15.328 3.488 7.889 1.00 23.12 H new ATOM 0 HG3 GLU A 70 13.670 3.071 8.274 1.00 23.12 H new ATOM 1187 N LYS A 71 14.968 7.617 5.581 1.00 73.00 N ATOM 1188 CA LYS A 71 14.726 8.995 5.090 1.00 14.34 C ATOM 1189 C LYS A 71 14.918 9.055 3.557 1.00 70.11 C ATOM 1190 O LYS A 71 14.235 9.809 2.853 1.00 70.24 O ATOM 1191 CB LYS A 71 15.679 10.000 5.796 1.00 53.54 C ATOM 1192 CG LYS A 71 15.549 10.052 7.336 1.00 24.31 C ATOM 1193 CD LYS A 71 14.167 10.550 7.847 1.00 24.42 C ATOM 1194 CE LYS A 71 13.981 12.082 7.749 1.00 65.31 C ATOM 1195 NZ LYS A 71 13.912 12.592 6.352 1.00 52.44 N ATOM 0 H LYS A 71 15.762 7.537 6.216 1.00 73.00 H new ATOM 0 HA LYS A 71 13.699 9.273 5.325 1.00 14.34 H new ATOM 0 HB2 LYS A 71 16.707 9.743 5.542 1.00 53.54 H new ATOM 0 HB3 LYS A 71 15.492 10.997 5.397 1.00 53.54 H new ATOM 0 HG2 LYS A 71 15.734 9.056 7.738 1.00 24.31 H new ATOM 0 HG3 LYS A 71 16.326 10.705 7.732 1.00 24.31 H new ATOM 0 HD2 LYS A 71 13.380 10.060 7.274 1.00 24.42 H new ATOM 0 HD3 LYS A 71 14.042 10.244 8.886 1.00 24.42 H new ATOM 0 HE2 LYS A 71 13.067 12.362 8.273 1.00 65.31 H new ATOM 0 HE3 LYS A 71 14.807 12.572 8.264 1.00 65.31 H new ATOM 0 HZ1 LYS A 71 13.249 13.392 6.307 1.00 52.44 H new ATOM 0 HZ2 LYS A 71 14.856 12.908 6.051 1.00 52.44 H new ATOM 0 HZ3 LYS A 71 13.583 11.833 5.721 1.00 52.44 H new ATOM 1209 N LYS A 72 15.858 8.236 3.079 1.00 35.22 N ATOM 1210 CA LYS A 72 16.191 8.082 1.654 1.00 12.50 C ATOM 1211 C LYS A 72 15.243 7.071 0.971 1.00 23.31 C ATOM 1212 O LYS A 72 14.717 7.338 -0.115 1.00 54.31 O ATOM 1213 CB LYS A 72 17.668 7.609 1.559 1.00 41.01 C ATOM 1214 CG LYS A 72 18.190 7.268 0.147 1.00 4.34 C ATOM 1215 CD LYS A 72 19.616 6.659 0.175 1.00 54.33 C ATOM 1216 CE LYS A 72 19.723 5.422 1.100 1.00 42.25 C ATOM 1217 NZ LYS A 72 21.022 4.724 0.967 1.00 71.34 N ATOM 0 H LYS A 72 16.426 7.644 3.686 1.00 35.22 H new ATOM 0 HA LYS A 72 16.068 9.033 1.136 1.00 12.50 H new ATOM 0 HB2 LYS A 72 18.304 8.388 1.979 1.00 41.01 H new ATOM 0 HB3 LYS A 72 17.786 6.727 2.189 1.00 41.01 H new ATOM 0 HG2 LYS A 72 17.507 6.565 -0.330 1.00 4.34 H new ATOM 0 HG3 LYS A 72 18.195 8.171 -0.463 1.00 4.34 H new ATOM 0 HD2 LYS A 72 19.905 6.376 -0.837 1.00 54.33 H new ATOM 0 HD3 LYS A 72 20.324 7.418 0.508 1.00 54.33 H new ATOM 0 HE2 LYS A 72 19.586 5.734 2.135 1.00 42.25 H new ATOM 0 HE3 LYS A 72 18.916 4.728 0.867 1.00 42.25 H new ATOM 0 HZ1 LYS A 72 21.220 4.190 1.837 1.00 71.34 H new ATOM 0 HZ2 LYS A 72 20.983 4.069 0.160 1.00 71.34 H new ATOM 0 HZ3 LYS A 72 21.777 5.422 0.810 1.00 71.34 H new ATOM 1231 N GLU A 73 15.025 5.920 1.635 1.00 61.21 N ATOM 1232 CA GLU A 73 14.358 4.747 1.029 1.00 43.21 C ATOM 1233 C GLU A 73 12.825 4.873 1.013 1.00 45.50 C ATOM 1234 O GLU A 73 12.188 4.326 0.119 1.00 70.43 O ATOM 1235 CB GLU A 73 14.785 3.437 1.747 1.00 12.53 C ATOM 1236 CG GLU A 73 16.278 3.068 1.585 1.00 3.52 C ATOM 1237 CD GLU A 73 16.720 2.910 0.110 1.00 22.01 C ATOM 1238 OE1 GLU A 73 16.534 1.822 -0.477 1.00 14.44 O ATOM 1239 OE2 GLU A 73 17.261 3.873 -0.471 1.00 35.00 O ATOM 0 H GLU A 73 15.305 5.775 2.605 1.00 61.21 H new ATOM 0 HA GLU A 73 14.685 4.709 -0.010 1.00 43.21 H new ATOM 0 HB2 GLU A 73 14.562 3.532 2.810 1.00 12.53 H new ATOM 0 HB3 GLU A 73 14.178 2.616 1.366 1.00 12.53 H new ATOM 0 HG2 GLU A 73 16.887 3.838 2.058 1.00 3.52 H new ATOM 0 HG3 GLU A 73 16.473 2.136 2.116 1.00 3.52 H new ATOM 1246 N ALA A 74 12.242 5.572 2.003 1.00 22.01 N ATOM 1247 CA ALA A 74 10.780 5.838 2.042 1.00 41.43 C ATOM 1248 C ALA A 74 10.421 6.988 1.083 1.00 3.20 C ATOM 1249 O ALA A 74 9.313 7.032 0.542 1.00 34.13 O ATOM 1250 CB ALA A 74 10.300 6.128 3.475 1.00 73.40 C ATOM 0 H ALA A 74 12.756 5.966 2.791 1.00 22.01 H new ATOM 0 HA ALA A 74 10.260 4.941 1.707 1.00 41.43 H new ATOM 0 HB1 ALA A 74 9.227 6.318 3.468 1.00 73.40 H new ATOM 0 HB2 ALA A 74 10.512 5.268 4.111 1.00 73.40 H new ATOM 0 HB3 ALA A 74 10.821 7.003 3.863 1.00 73.40 H new ATOM 1256 N LYS A 75 11.375 7.924 0.903 1.00 12.14 N ATOM 1257 CA LYS A 75 11.320 8.956 -0.154 1.00 4.23 C ATOM 1258 C LYS A 75 11.360 8.293 -1.550 1.00 33.45 C ATOM 1259 O LYS A 75 10.643 8.703 -2.469 1.00 52.43 O ATOM 1260 CB LYS A 75 12.493 9.961 0.027 1.00 3.03 C ATOM 1261 CG LYS A 75 12.678 10.982 -1.124 1.00 44.31 C ATOM 1262 CD LYS A 75 13.819 11.989 -0.842 1.00 52.21 C ATOM 1263 CE LYS A 75 14.154 12.873 -2.060 1.00 1.22 C ATOM 1264 NZ LYS A 75 14.751 12.087 -3.172 1.00 61.50 N ATOM 0 H LYS A 75 12.208 7.986 1.488 1.00 12.14 H new ATOM 0 HA LYS A 75 10.383 9.507 -0.072 1.00 4.23 H new ATOM 0 HB2 LYS A 75 12.338 10.510 0.956 1.00 3.03 H new ATOM 0 HB3 LYS A 75 13.418 9.396 0.141 1.00 3.03 H new ATOM 0 HG2 LYS A 75 12.890 10.447 -2.050 1.00 44.31 H new ATOM 0 HG3 LYS A 75 11.746 11.526 -1.276 1.00 44.31 H new ATOM 0 HD2 LYS A 75 13.536 12.626 -0.004 1.00 52.21 H new ATOM 0 HD3 LYS A 75 14.712 11.443 -0.539 1.00 52.21 H new ATOM 0 HE2 LYS A 75 13.247 13.366 -2.411 1.00 1.22 H new ATOM 0 HE3 LYS A 75 14.847 13.658 -1.758 1.00 1.22 H new ATOM 0 HZ1 LYS A 75 15.115 12.735 -3.899 1.00 61.50 H new ATOM 0 HZ2 LYS A 75 15.531 11.504 -2.806 1.00 61.50 H new ATOM 0 HZ3 LYS A 75 14.025 11.471 -3.590 1.00 61.50 H new ATOM 1278 N LYS A 76 12.205 7.258 -1.677 1.00 12.41 N ATOM 1279 CA LYS A 76 12.309 6.432 -2.893 1.00 43.34 C ATOM 1280 C LYS A 76 11.014 5.619 -3.103 1.00 13.41 C ATOM 1281 O LYS A 76 10.501 5.513 -4.228 1.00 52.54 O ATOM 1282 CB LYS A 76 13.531 5.485 -2.769 1.00 13.54 C ATOM 1283 CG LYS A 76 13.716 4.490 -3.941 1.00 31.31 C ATOM 1284 CD LYS A 76 14.855 3.477 -3.685 1.00 71.43 C ATOM 1285 CE LYS A 76 16.242 4.131 -3.595 1.00 63.44 C ATOM 1286 NZ LYS A 76 17.297 3.134 -3.292 1.00 11.31 N ATOM 0 H LYS A 76 12.841 6.968 -0.934 1.00 12.41 H new ATOM 0 HA LYS A 76 12.446 7.081 -3.758 1.00 43.34 H new ATOM 0 HB2 LYS A 76 14.433 6.091 -2.682 1.00 13.54 H new ATOM 0 HB3 LYS A 76 13.438 4.918 -1.843 1.00 13.54 H new ATOM 0 HG2 LYS A 76 12.784 3.949 -4.105 1.00 31.31 H new ATOM 0 HG3 LYS A 76 13.927 5.045 -4.855 1.00 31.31 H new ATOM 0 HD2 LYS A 76 14.653 2.941 -2.758 1.00 71.43 H new ATOM 0 HD3 LYS A 76 14.861 2.738 -4.486 1.00 71.43 H new ATOM 0 HE2 LYS A 76 16.472 4.630 -4.537 1.00 63.44 H new ATOM 0 HE3 LYS A 76 16.233 4.899 -2.821 1.00 63.44 H new ATOM 0 HZ1 LYS A 76 17.626 3.263 -2.314 1.00 11.31 H new ATOM 0 HZ2 LYS A 76 16.911 2.175 -3.404 1.00 11.31 H new ATOM 0 HZ3 LYS A 76 18.095 3.264 -3.946 1.00 11.31 H new ATOM 1300 N PHE A 77 10.479 5.094 -1.986 1.00 43.31 N ATOM 1301 CA PHE A 77 9.307 4.204 -1.975 1.00 70.25 C ATOM 1302 C PHE A 77 8.007 5.014 -2.189 1.00 53.33 C ATOM 1303 O PHE A 77 6.961 4.448 -2.520 1.00 53.13 O ATOM 1304 CB PHE A 77 9.248 3.383 -0.656 1.00 40.24 C ATOM 1305 CG PHE A 77 8.342 2.153 -0.739 1.00 72.12 C ATOM 1306 CD1 PHE A 77 8.772 1.013 -1.418 1.00 41.31 C ATOM 1307 CD2 PHE A 77 7.073 2.138 -0.168 1.00 22.14 C ATOM 1308 CE1 PHE A 77 7.960 -0.094 -1.521 1.00 0.03 C ATOM 1309 CE2 PHE A 77 6.264 1.024 -0.273 1.00 14.13 C ATOM 1310 CZ PHE A 77 6.707 -0.089 -0.948 1.00 22.53 C ATOM 0 H PHE A 77 10.854 5.279 -1.055 1.00 43.31 H new ATOM 0 HA PHE A 77 9.403 3.499 -2.800 1.00 70.25 H new ATOM 0 HB2 PHE A 77 10.256 3.064 -0.391 1.00 40.24 H new ATOM 0 HB3 PHE A 77 8.897 4.029 0.149 1.00 40.24 H new ATOM 0 HD1 PHE A 77 9.754 0.999 -1.868 1.00 41.31 H new ATOM 0 HD2 PHE A 77 6.717 3.008 0.364 1.00 22.14 H new ATOM 0 HE1 PHE A 77 8.306 -0.968 -2.052 1.00 0.03 H new ATOM 0 HE2 PHE A 77 5.282 1.027 0.176 1.00 14.13 H new ATOM 0 HZ PHE A 77 6.073 -0.959 -1.029 1.00 22.53 H new ATOM 1320 N ALA A 78 8.086 6.341 -1.949 1.00 21.03 N ATOM 1321 CA ALA A 78 6.991 7.281 -2.239 1.00 1.20 C ATOM 1322 C ALA A 78 6.601 7.209 -3.722 1.00 5.32 C ATOM 1323 O ALA A 78 5.422 7.097 -4.053 1.00 21.04 O ATOM 1324 CB ALA A 78 7.388 8.713 -1.842 1.00 40.53 C ATOM 0 H ALA A 78 8.912 6.786 -1.549 1.00 21.03 H new ATOM 0 HA ALA A 78 6.122 6.996 -1.646 1.00 1.20 H new ATOM 0 HB1 ALA A 78 6.566 9.393 -2.064 1.00 40.53 H new ATOM 0 HB2 ALA A 78 7.609 8.747 -0.775 1.00 40.53 H new ATOM 0 HB3 ALA A 78 8.271 9.015 -2.405 1.00 40.53 H new ATOM 1330 N ALA A 79 7.629 7.210 -4.594 1.00 12.21 N ATOM 1331 CA ALA A 79 7.455 7.073 -6.051 1.00 72.14 C ATOM 1332 C ALA A 79 6.806 5.721 -6.412 1.00 71.24 C ATOM 1333 O ALA A 79 6.016 5.638 -7.357 1.00 44.54 O ATOM 1334 CB ALA A 79 8.812 7.237 -6.760 1.00 74.13 C ATOM 0 H ALA A 79 8.603 7.306 -4.306 1.00 12.21 H new ATOM 0 HA ALA A 79 6.783 7.860 -6.393 1.00 72.14 H new ATOM 0 HB1 ALA A 79 8.675 7.134 -7.836 1.00 74.13 H new ATOM 0 HB2 ALA A 79 9.221 8.223 -6.539 1.00 74.13 H new ATOM 0 HB3 ALA A 79 9.502 6.470 -6.407 1.00 74.13 H new ATOM 1340 N ILE A 80 7.138 4.678 -5.624 1.00 4.14 N ATOM 1341 CA ILE A 80 6.634 3.309 -5.820 1.00 74.10 C ATOM 1342 C ILE A 80 5.132 3.234 -5.537 1.00 30.40 C ATOM 1343 O ILE A 80 4.365 2.765 -6.387 1.00 43.32 O ATOM 1344 CB ILE A 80 7.421 2.281 -4.915 1.00 73.20 C ATOM 1345 CG1 ILE A 80 8.941 2.298 -5.275 1.00 24.25 C ATOM 1346 CG2 ILE A 80 6.837 0.845 -5.006 1.00 23.24 C ATOM 1347 CD1 ILE A 80 9.245 2.005 -6.732 1.00 34.21 C ATOM 0 H ILE A 80 7.769 4.766 -4.828 1.00 4.14 H new ATOM 0 HA ILE A 80 6.799 3.039 -6.863 1.00 74.10 H new ATOM 0 HB ILE A 80 7.302 2.597 -3.879 1.00 73.20 H new ATOM 0 HG12 ILE A 80 9.351 3.275 -5.021 1.00 24.25 H new ATOM 0 HG13 ILE A 80 9.457 1.565 -4.655 1.00 24.25 H new ATOM 0 HG21 ILE A 80 7.413 0.177 -4.366 1.00 23.24 H new ATOM 0 HG22 ILE A 80 5.797 0.854 -4.679 1.00 23.24 H new ATOM 0 HG23 ILE A 80 6.890 0.495 -6.037 1.00 23.24 H new ATOM 0 HD11 ILE A 80 10.323 2.037 -6.892 1.00 34.21 H new ATOM 0 HD12 ILE A 80 8.869 1.015 -6.990 1.00 34.21 H new ATOM 0 HD13 ILE A 80 8.762 2.752 -7.362 1.00 34.21 H new ATOM 1359 N LEU A 81 4.718 3.758 -4.366 1.00 21.53 N ATOM 1360 CA LEU A 81 3.323 3.693 -3.907 1.00 11.22 C ATOM 1361 C LEU A 81 2.422 4.528 -4.830 1.00 32.22 C ATOM 1362 O LEU A 81 1.430 4.014 -5.343 1.00 72.34 O ATOM 1363 CB LEU A 81 3.206 4.161 -2.425 1.00 2.22 C ATOM 1364 CG LEU A 81 3.614 3.103 -1.350 1.00 34.15 C ATOM 1365 CD1 LEU A 81 3.664 3.707 0.064 1.00 24.32 C ATOM 1366 CD2 LEU A 81 2.668 1.878 -1.381 1.00 31.23 C ATOM 0 H LEU A 81 5.342 4.236 -3.716 1.00 21.53 H new ATOM 0 HA LEU A 81 2.987 2.657 -3.951 1.00 11.22 H new ATOM 0 HB2 LEU A 81 3.828 5.046 -2.292 1.00 2.22 H new ATOM 0 HB3 LEU A 81 2.176 4.464 -2.238 1.00 2.22 H new ATOM 0 HG LEU A 81 4.620 2.769 -1.603 1.00 34.15 H new ATOM 0 HD11 LEU A 81 3.952 2.936 0.779 1.00 24.32 H new ATOM 0 HD12 LEU A 81 4.394 4.516 0.089 1.00 24.32 H new ATOM 0 HD13 LEU A 81 2.681 4.098 0.328 1.00 24.32 H new ATOM 0 HD21 LEU A 81 2.978 1.160 -0.622 1.00 31.23 H new ATOM 0 HD22 LEU A 81 1.647 2.202 -1.179 1.00 31.23 H new ATOM 0 HD23 LEU A 81 2.712 1.409 -2.364 1.00 31.23 H new ATOM 1378 N ASN A 82 2.826 5.793 -5.071 1.00 44.43 N ATOM 1379 CA ASN A 82 2.057 6.772 -5.888 1.00 33.41 C ATOM 1380 C ASN A 82 1.784 6.235 -7.305 1.00 34.24 C ATOM 1381 O ASN A 82 0.672 6.392 -7.834 1.00 34.04 O ATOM 1382 CB ASN A 82 2.814 8.128 -5.968 1.00 60.32 C ATOM 1383 CG ASN A 82 2.884 8.874 -4.632 1.00 54.22 C ATOM 1384 OD1 ASN A 82 2.863 8.267 -3.567 1.00 64.35 O ATOM 1385 ND2 ASN A 82 2.981 10.195 -4.681 1.00 10.20 N ATOM 0 H ASN A 82 3.699 6.172 -4.705 1.00 44.43 H new ATOM 0 HA ASN A 82 1.097 6.928 -5.396 1.00 33.41 H new ATOM 0 HB2 ASN A 82 3.827 7.948 -6.327 1.00 60.32 H new ATOM 0 HB3 ASN A 82 2.324 8.765 -6.704 1.00 60.32 H new ATOM 0 HD21 ASN A 82 3.041 10.734 -3.817 1.00 10.20 H new ATOM 0 HD22 ASN A 82 2.996 10.672 -5.582 1.00 10.20 H new ATOM 1392 N LYS A 83 2.808 5.586 -7.893 1.00 14.32 N ATOM 1393 CA LYS A 83 2.706 4.946 -9.216 1.00 43.44 C ATOM 1394 C LYS A 83 1.714 3.777 -9.193 1.00 62.31 C ATOM 1395 O LYS A 83 0.876 3.679 -10.083 1.00 53.43 O ATOM 1396 CB LYS A 83 4.101 4.464 -9.714 1.00 74.35 C ATOM 1397 CG LYS A 83 4.901 5.508 -10.532 1.00 10.34 C ATOM 1398 CD LYS A 83 4.246 5.830 -11.903 1.00 52.44 C ATOM 1399 CE LYS A 83 4.082 4.585 -12.800 1.00 44.31 C ATOM 1400 NZ LYS A 83 3.532 4.934 -14.127 1.00 41.13 N ATOM 0 H LYS A 83 3.728 5.492 -7.463 1.00 14.32 H new ATOM 0 HA LYS A 83 2.332 5.695 -9.914 1.00 43.44 H new ATOM 0 HB2 LYS A 83 4.696 4.168 -8.850 1.00 74.35 H new ATOM 0 HB3 LYS A 83 3.963 3.573 -10.326 1.00 74.35 H new ATOM 0 HG2 LYS A 83 4.989 6.427 -9.952 1.00 10.34 H new ATOM 0 HG3 LYS A 83 5.912 5.136 -10.696 1.00 10.34 H new ATOM 0 HD2 LYS A 83 3.268 6.281 -11.735 1.00 52.44 H new ATOM 0 HD3 LYS A 83 4.853 6.570 -12.425 1.00 52.44 H new ATOM 0 HE2 LYS A 83 5.048 4.096 -12.924 1.00 44.31 H new ATOM 0 HE3 LYS A 83 3.423 3.868 -12.310 1.00 44.31 H new ATOM 0 HZ1 LYS A 83 3.436 4.072 -14.701 1.00 41.13 H new ATOM 0 HZ2 LYS A 83 2.599 5.378 -14.010 1.00 41.13 H new ATOM 0 HZ3 LYS A 83 4.174 5.598 -14.605 1.00 41.13 H new ATOM 1414 N VAL A 84 1.794 2.927 -8.148 1.00 53.42 N ATOM 1415 CA VAL A 84 0.948 1.717 -8.025 1.00 64.20 C ATOM 1416 C VAL A 84 -0.531 2.114 -7.935 1.00 55.42 C ATOM 1417 O VAL A 84 -1.374 1.541 -8.627 1.00 13.35 O ATOM 1418 CB VAL A 84 1.379 0.848 -6.775 1.00 13.43 C ATOM 1419 CG1 VAL A 84 0.304 -0.199 -6.368 1.00 60.40 C ATOM 1420 CG2 VAL A 84 2.735 0.154 -7.057 1.00 63.53 C ATOM 0 H VAL A 84 2.441 3.057 -7.370 1.00 53.42 H new ATOM 0 HA VAL A 84 1.088 1.105 -8.916 1.00 64.20 H new ATOM 0 HB VAL A 84 1.484 1.529 -5.930 1.00 13.43 H new ATOM 0 HG11 VAL A 84 0.656 -0.765 -5.505 1.00 60.40 H new ATOM 0 HG12 VAL A 84 -0.624 0.313 -6.113 1.00 60.40 H new ATOM 0 HG13 VAL A 84 0.126 -0.880 -7.200 1.00 60.40 H new ATOM 0 HG21 VAL A 84 3.025 -0.442 -6.192 1.00 63.53 H new ATOM 0 HG22 VAL A 84 2.638 -0.494 -7.928 1.00 63.53 H new ATOM 0 HG23 VAL A 84 3.497 0.909 -7.249 1.00 63.53 H new ATOM 1430 N PHE A 85 -0.804 3.136 -7.110 1.00 74.42 N ATOM 1431 CA PHE A 85 -2.153 3.694 -6.925 1.00 33.23 C ATOM 1432 C PHE A 85 -2.690 4.242 -8.257 1.00 60.43 C ATOM 1433 O PHE A 85 -3.838 3.980 -8.615 1.00 11.23 O ATOM 1434 CB PHE A 85 -2.146 4.795 -5.827 1.00 10.55 C ATOM 1435 CG PHE A 85 -1.645 4.312 -4.463 1.00 13.20 C ATOM 1436 CD1 PHE A 85 -1.933 3.022 -4.006 1.00 4.11 C ATOM 1437 CD2 PHE A 85 -0.872 5.139 -3.646 1.00 24.13 C ATOM 1438 CE1 PHE A 85 -1.465 2.584 -2.791 1.00 10.23 C ATOM 1439 CE2 PHE A 85 -0.408 4.698 -2.427 1.00 60.54 C ATOM 1440 CZ PHE A 85 -0.700 3.418 -2.001 1.00 34.21 C ATOM 0 H PHE A 85 -0.091 3.602 -6.549 1.00 74.42 H new ATOM 0 HA PHE A 85 -2.818 2.897 -6.592 1.00 33.23 H new ATOM 0 HB2 PHE A 85 -1.519 5.622 -6.161 1.00 10.55 H new ATOM 0 HB3 PHE A 85 -3.157 5.187 -5.713 1.00 10.55 H new ATOM 0 HD1 PHE A 85 -2.531 2.362 -4.616 1.00 4.11 H new ATOM 0 HD2 PHE A 85 -0.634 6.140 -3.975 1.00 24.13 H new ATOM 0 HE1 PHE A 85 -1.696 1.585 -2.453 1.00 10.23 H new ATOM 0 HE2 PHE A 85 0.184 5.353 -1.805 1.00 60.54 H new ATOM 0 HZ PHE A 85 -0.329 3.069 -1.049 1.00 34.21 H new ATOM 1450 N ALA A 86 -1.815 4.937 -9.009 1.00 25.24 N ATOM 1451 CA ALA A 86 -2.142 5.491 -10.340 1.00 33.44 C ATOM 1452 C ALA A 86 -2.469 4.369 -11.351 1.00 60.53 C ATOM 1453 O ALA A 86 -3.351 4.528 -12.204 1.00 52.33 O ATOM 1454 CB ALA A 86 -0.980 6.353 -10.853 1.00 73.51 C ATOM 0 H ALA A 86 -0.859 5.131 -8.711 1.00 25.24 H new ATOM 0 HA ALA A 86 -3.030 6.115 -10.238 1.00 33.44 H new ATOM 0 HB1 ALA A 86 -1.231 6.756 -11.834 1.00 73.51 H new ATOM 0 HB2 ALA A 86 -0.802 7.174 -10.158 1.00 73.51 H new ATOM 0 HB3 ALA A 86 -0.081 5.742 -10.931 1.00 73.51 H new ATOM 1460 N GLU A 87 -1.781 3.218 -11.198 1.00 0.22 N ATOM 1461 CA GLU A 87 -1.934 2.036 -12.081 1.00 73.05 C ATOM 1462 C GLU A 87 -3.172 1.202 -11.675 1.00 62.52 C ATOM 1463 O GLU A 87 -3.565 0.276 -12.388 1.00 74.25 O ATOM 1464 CB GLU A 87 -0.630 1.173 -12.040 1.00 74.03 C ATOM 1465 CG GLU A 87 0.614 1.880 -12.628 1.00 1.41 C ATOM 1466 CD GLU A 87 1.923 1.095 -12.405 1.00 73.33 C ATOM 1467 OE1 GLU A 87 2.547 1.247 -11.324 1.00 23.25 O ATOM 1468 OE2 GLU A 87 2.332 0.321 -13.303 1.00 64.35 O ATOM 0 H GLU A 87 -1.098 3.079 -10.453 1.00 0.22 H new ATOM 0 HA GLU A 87 -2.092 2.376 -13.104 1.00 73.05 H new ATOM 0 HB2 GLU A 87 -0.423 0.896 -11.006 1.00 74.03 H new ATOM 0 HB3 GLU A 87 -0.802 0.247 -12.589 1.00 74.03 H new ATOM 0 HG2 GLU A 87 0.466 2.031 -13.697 1.00 1.41 H new ATOM 0 HG3 GLU A 87 0.709 2.868 -12.177 1.00 1.41 H new ATOM 1475 N LEU A 88 -3.794 1.560 -10.528 1.00 70.01 N ATOM 1476 CA LEU A 88 -5.031 0.917 -10.025 1.00 34.04 C ATOM 1477 C LEU A 88 -6.240 1.863 -10.202 1.00 44.02 C ATOM 1478 O LEU A 88 -7.387 1.456 -9.987 1.00 52.21 O ATOM 1479 CB LEU A 88 -4.878 0.514 -8.533 1.00 0.32 C ATOM 1480 CG LEU A 88 -3.742 -0.508 -8.204 1.00 54.44 C ATOM 1481 CD1 LEU A 88 -3.666 -0.786 -6.693 1.00 40.30 C ATOM 1482 CD2 LEU A 88 -3.886 -1.818 -9.011 1.00 44.25 C ATOM 0 H LEU A 88 -3.451 2.306 -9.923 1.00 70.01 H new ATOM 0 HA LEU A 88 -5.204 0.012 -10.608 1.00 34.04 H new ATOM 0 HB2 LEU A 88 -4.703 1.419 -7.951 1.00 0.32 H new ATOM 0 HB3 LEU A 88 -5.825 0.094 -8.193 1.00 0.32 H new ATOM 0 HG LEU A 88 -2.801 -0.050 -8.509 1.00 54.44 H new ATOM 0 HD11 LEU A 88 -2.867 -1.500 -6.494 1.00 40.30 H new ATOM 0 HD12 LEU A 88 -3.462 0.144 -6.162 1.00 40.30 H new ATOM 0 HD13 LEU A 88 -4.615 -1.199 -6.351 1.00 40.30 H new ATOM 0 HD21 LEU A 88 -3.075 -2.498 -8.749 1.00 44.25 H new ATOM 0 HD22 LEU A 88 -4.842 -2.287 -8.777 1.00 44.25 H new ATOM 0 HD23 LEU A 88 -3.843 -1.595 -10.077 1.00 44.25 H new ATOM 1494 N GLY A 89 -5.970 3.135 -10.567 1.00 23.54 N ATOM 1495 CA GLY A 89 -7.028 4.125 -10.860 1.00 33.32 C ATOM 1496 C GLY A 89 -7.160 5.228 -9.808 1.00 50.14 C ATOM 1497 O GLY A 89 -7.947 6.162 -9.987 1.00 4.25 O ATOM 0 H GLY A 89 -5.023 3.501 -10.666 1.00 23.54 H new ATOM 0 HA2 GLY A 89 -6.824 4.583 -11.828 1.00 33.32 H new ATOM 0 HA3 GLY A 89 -7.982 3.606 -10.948 1.00 33.32 H new ATOM 1501 N TYR A 90 -6.402 5.106 -8.707 1.00 2.44 N ATOM 1502 CA TYR A 90 -6.398 6.097 -7.607 1.00 1.00 C ATOM 1503 C TYR A 90 -5.515 7.301 -8.003 1.00 14.41 C ATOM 1504 O TYR A 90 -4.440 7.121 -8.586 1.00 42.44 O ATOM 1505 CB TYR A 90 -5.874 5.459 -6.284 1.00 3.34 C ATOM 1506 CG TYR A 90 -6.489 4.090 -5.932 1.00 63.13 C ATOM 1507 CD1 TYR A 90 -7.866 3.882 -5.998 1.00 34.25 C ATOM 1508 CD2 TYR A 90 -5.687 3.003 -5.558 1.00 41.13 C ATOM 1509 CE1 TYR A 90 -8.423 2.653 -5.707 1.00 32.20 C ATOM 1510 CE2 TYR A 90 -6.240 1.771 -5.270 1.00 15.52 C ATOM 1511 CZ TYR A 90 -7.609 1.602 -5.346 1.00 30.43 C ATOM 1512 OH TYR A 90 -8.163 0.374 -5.077 1.00 54.13 O ATOM 0 H TYR A 90 -5.773 4.319 -8.549 1.00 2.44 H new ATOM 0 HA TYR A 90 -7.420 6.435 -7.436 1.00 1.00 H new ATOM 0 HB2 TYR A 90 -4.792 5.347 -6.356 1.00 3.34 H new ATOM 0 HB3 TYR A 90 -6.069 6.150 -5.463 1.00 3.34 H new ATOM 0 HD1 TYR A 90 -8.511 4.700 -6.283 1.00 34.25 H new ATOM 0 HD2 TYR A 90 -4.617 3.131 -5.494 1.00 41.13 H new ATOM 0 HE1 TYR A 90 -9.493 2.516 -5.762 1.00 32.20 H new ATOM 0 HE2 TYR A 90 -5.606 0.944 -4.987 1.00 15.52 H new ATOM 0 HH TYR A 90 -8.041 0.161 -4.128 1.00 54.13 H new ATOM 1522 N ASN A 91 -5.976 8.518 -7.684 1.00 3.32 N ATOM 1523 CA ASN A 91 -5.293 9.779 -8.064 1.00 42.32 C ATOM 1524 C ASN A 91 -4.410 10.310 -6.930 1.00 43.41 C ATOM 1525 O ASN A 91 -4.512 9.860 -5.785 1.00 12.52 O ATOM 1526 CB ASN A 91 -6.333 10.863 -8.450 1.00 71.23 C ATOM 1527 CG ASN A 91 -7.221 10.445 -9.615 1.00 35.40 C ATOM 1528 OD1 ASN A 91 -6.919 10.720 -10.774 1.00 12.23 O ATOM 1529 ND2 ASN A 91 -8.316 9.767 -9.315 1.00 70.22 N ATOM 0 H ASN A 91 -6.835 8.665 -7.154 1.00 3.32 H new ATOM 0 HA ASN A 91 -4.657 9.555 -8.921 1.00 42.32 H new ATOM 0 HB2 ASN A 91 -6.958 11.084 -7.585 1.00 71.23 H new ATOM 0 HB3 ASN A 91 -5.811 11.784 -8.710 1.00 71.23 H new ATOM 0 HD21 ASN A 91 -8.942 9.454 -10.057 1.00 70.22 H new ATOM 0 HD22 ASN A 91 -8.535 9.557 -8.341 1.00 70.22 H new ATOM 1536 N ASP A 92 -3.581 11.312 -7.279 1.00 65.12 N ATOM 1537 CA ASP A 92 -2.671 12.019 -6.353 1.00 62.55 C ATOM 1538 C ASP A 92 -3.441 12.582 -5.143 1.00 75.34 C ATOM 1539 O ASP A 92 -3.016 12.431 -3.999 1.00 75.43 O ATOM 1540 CB ASP A 92 -1.975 13.205 -7.089 1.00 43.12 C ATOM 1541 CG ASP A 92 -1.123 12.797 -8.306 1.00 5.02 C ATOM 1542 OD1 ASP A 92 -1.660 12.151 -9.235 1.00 1.02 O ATOM 1543 OD2 ASP A 92 0.088 13.121 -8.348 1.00 73.41 O ATOM 0 H ASP A 92 -3.523 11.662 -8.235 1.00 65.12 H new ATOM 0 HA ASP A 92 -1.929 11.300 -6.006 1.00 62.55 H new ATOM 0 HB2 ASP A 92 -2.739 13.909 -7.417 1.00 43.12 H new ATOM 0 HB3 ASP A 92 -1.339 13.733 -6.378 1.00 43.12 H new ATOM 1548 N SER A 93 -4.592 13.214 -5.448 1.00 31.10 N ATOM 1549 CA SER A 93 -5.427 13.952 -4.481 1.00 12.12 C ATOM 1550 C SER A 93 -5.893 13.089 -3.288 1.00 43.23 C ATOM 1551 O SER A 93 -5.792 13.522 -2.131 1.00 24.02 O ATOM 1552 CB SER A 93 -6.637 14.547 -5.231 1.00 31.43 C ATOM 1553 OG SER A 93 -6.210 15.344 -6.320 1.00 61.31 O ATOM 0 H SER A 93 -4.974 13.225 -6.394 1.00 31.10 H new ATOM 0 HA SER A 93 -4.816 14.743 -4.047 1.00 12.12 H new ATOM 0 HB2 SER A 93 -7.278 13.743 -5.592 1.00 31.43 H new ATOM 0 HB3 SER A 93 -7.235 15.149 -4.547 1.00 31.43 H new ATOM 0 HG SER A 93 -6.992 15.711 -6.783 1.00 61.31 H new ATOM 1559 N ASN A 94 -6.388 11.872 -3.573 1.00 44.01 N ATOM 1560 CA ASN A 94 -6.930 10.962 -2.533 1.00 30.22 C ATOM 1561 C ASN A 94 -5.809 10.163 -1.834 1.00 11.21 C ATOM 1562 O ASN A 94 -6.051 9.516 -0.815 1.00 3.31 O ATOM 1563 CB ASN A 94 -8.003 10.020 -3.140 1.00 40.35 C ATOM 1564 CG ASN A 94 -7.482 9.116 -4.260 1.00 42.34 C ATOM 1565 OD1 ASN A 94 -7.500 9.488 -5.430 1.00 2.15 O ATOM 1566 ND2 ASN A 94 -7.048 7.910 -3.916 1.00 51.35 N ATOM 0 H ASN A 94 -6.427 11.489 -4.518 1.00 44.01 H new ATOM 0 HA ASN A 94 -7.408 11.574 -1.768 1.00 30.22 H new ATOM 0 HB2 ASN A 94 -8.414 9.396 -2.346 1.00 40.35 H new ATOM 0 HB3 ASN A 94 -8.823 10.624 -3.528 1.00 40.35 H new ATOM 0 HD21 ASN A 94 -6.717 7.264 -4.632 1.00 51.35 H new ATOM 0 HD22 ASN A 94 -7.045 7.630 -2.935 1.00 51.35 H new ATOM 1573 N VAL A 95 -4.585 10.212 -2.393 1.00 40.32 N ATOM 1574 CA VAL A 95 -3.382 9.648 -1.758 1.00 3.10 C ATOM 1575 C VAL A 95 -2.760 10.742 -0.859 1.00 12.54 C ATOM 1576 O VAL A 95 -2.122 11.675 -1.356 1.00 1.24 O ATOM 1577 CB VAL A 95 -2.352 9.142 -2.841 1.00 0.41 C ATOM 1578 CG1 VAL A 95 -1.036 8.631 -2.200 1.00 51.50 C ATOM 1579 CG2 VAL A 95 -2.992 8.045 -3.730 1.00 34.32 C ATOM 0 H VAL A 95 -4.404 10.645 -3.299 1.00 40.32 H new ATOM 0 HA VAL A 95 -3.650 8.781 -1.154 1.00 3.10 H new ATOM 0 HB VAL A 95 -2.094 9.995 -3.468 1.00 0.41 H new ATOM 0 HG11 VAL A 95 -0.357 8.293 -2.983 1.00 51.50 H new ATOM 0 HG12 VAL A 95 -0.568 9.439 -1.638 1.00 51.50 H new ATOM 0 HG13 VAL A 95 -1.257 7.802 -1.528 1.00 51.50 H new ATOM 0 HG21 VAL A 95 -2.267 7.708 -4.471 1.00 34.32 H new ATOM 0 HG22 VAL A 95 -3.293 7.202 -3.108 1.00 34.32 H new ATOM 0 HG23 VAL A 95 -3.867 8.452 -4.237 1.00 34.32 H new ATOM 1589 N THR A 96 -2.988 10.633 0.458 1.00 5.50 N ATOM 1590 CA THR A 96 -2.586 11.654 1.442 1.00 24.15 C ATOM 1591 C THR A 96 -1.408 11.149 2.289 1.00 64.14 C ATOM 1592 O THR A 96 -1.590 10.309 3.174 1.00 13.03 O ATOM 1593 CB THR A 96 -3.785 12.024 2.372 1.00 53.32 C ATOM 1594 OG1 THR A 96 -4.931 12.324 1.561 1.00 24.34 O ATOM 1595 CG2 THR A 96 -3.462 13.232 3.283 1.00 54.25 C ATOM 0 H THR A 96 -3.459 9.830 0.875 1.00 5.50 H new ATOM 0 HA THR A 96 -2.275 12.546 0.897 1.00 24.15 H new ATOM 0 HB THR A 96 -3.987 11.171 3.020 1.00 53.32 H new ATOM 0 HG1 THR A 96 -5.689 12.556 2.138 1.00 24.34 H new ATOM 0 HG21 THR A 96 -4.324 13.454 3.912 1.00 54.25 H new ATOM 0 HG22 THR A 96 -2.605 12.994 3.913 1.00 54.25 H new ATOM 0 HG23 THR A 96 -3.230 14.101 2.667 1.00 54.25 H new ATOM 1603 N TRP A 97 -0.200 11.647 1.993 1.00 24.55 N ATOM 1604 CA TRP A 97 1.024 11.285 2.722 1.00 3.11 C ATOM 1605 C TRP A 97 1.144 12.052 4.038 1.00 23.33 C ATOM 1606 O TRP A 97 0.651 13.179 4.165 1.00 1.34 O ATOM 1607 CB TRP A 97 2.281 11.533 1.845 1.00 4.41 C ATOM 1608 CG TRP A 97 2.531 10.419 0.873 1.00 0.31 C ATOM 1609 CD1 TRP A 97 1.945 10.226 -0.346 1.00 74.11 C ATOM 1610 CD2 TRP A 97 3.425 9.320 1.076 1.00 52.54 C ATOM 1611 NE1 TRP A 97 2.417 9.070 -0.903 1.00 65.44 N ATOM 1612 CE2 TRP A 97 3.333 8.500 -0.055 1.00 5.04 C ATOM 1613 CE3 TRP A 97 4.297 8.957 2.113 1.00 71.20 C ATOM 1614 CZ2 TRP A 97 4.077 7.337 -0.185 1.00 62.10 C ATOM 1615 CZ3 TRP A 97 5.041 7.801 1.984 1.00 62.04 C ATOM 1616 CH2 TRP A 97 4.927 6.999 0.840 1.00 51.53 C ATOM 0 H TRP A 97 -0.043 12.315 1.238 1.00 24.55 H new ATOM 0 HA TRP A 97 0.959 10.222 2.955 1.00 3.11 H new ATOM 0 HB2 TRP A 97 2.160 12.468 1.298 1.00 4.41 H new ATOM 0 HB3 TRP A 97 3.152 11.651 2.489 1.00 4.41 H new ATOM 0 HD1 TRP A 97 1.220 10.885 -0.800 1.00 74.11 H new ATOM 0 HE1 TRP A 97 2.133 8.691 -1.806 1.00 65.44 H new ATOM 0 HE3 TRP A 97 4.385 9.571 2.997 1.00 71.20 H new ATOM 0 HZ2 TRP A 97 3.991 6.716 -1.065 1.00 62.10 H new ATOM 0 HZ3 TRP A 97 5.719 7.511 2.774 1.00 62.04 H new ATOM 0 HH2 TRP A 97 5.518 6.099 0.763 1.00 51.53 H new ATOM 1627 N ASP A 98 1.803 11.406 4.999 1.00 22.23 N ATOM 1628 CA ASP A 98 2.208 12.010 6.263 1.00 53.30 C ATOM 1629 C ASP A 98 3.568 11.397 6.638 1.00 51.21 C ATOM 1630 O ASP A 98 3.663 10.579 7.563 1.00 64.32 O ATOM 1631 CB ASP A 98 1.123 11.756 7.353 1.00 14.44 C ATOM 1632 CG ASP A 98 1.382 12.518 8.664 1.00 20.43 C ATOM 1633 OD1 ASP A 98 1.279 13.768 8.659 1.00 72.31 O ATOM 1634 OD2 ASP A 98 1.670 11.882 9.702 1.00 52.01 O ATOM 0 H ASP A 98 2.075 10.426 4.916 1.00 22.23 H new ATOM 0 HA ASP A 98 2.307 13.092 6.178 1.00 53.30 H new ATOM 0 HB2 ASP A 98 0.149 12.046 6.959 1.00 14.44 H new ATOM 0 HB3 ASP A 98 1.076 10.688 7.566 1.00 14.44 H new ATOM 1639 N GLY A 99 4.596 11.790 5.837 1.00 41.12 N ATOM 1640 CA GLY A 99 5.998 11.359 5.987 1.00 1.20 C ATOM 1641 C GLY A 99 6.200 9.837 6.057 1.00 24.30 C ATOM 1642 O GLY A 99 6.507 9.179 5.054 1.00 3.25 O ATOM 0 H GLY A 99 4.461 12.430 5.054 1.00 41.12 H new ATOM 0 HA2 GLY A 99 6.575 11.750 5.149 1.00 1.20 H new ATOM 0 HA3 GLY A 99 6.407 11.808 6.892 1.00 1.20 H new ATOM 1646 N ASP A 100 5.997 9.313 7.267 1.00 3.21 N ATOM 1647 CA ASP A 100 6.222 7.911 7.652 1.00 12.11 C ATOM 1648 C ASP A 100 5.158 6.949 7.064 1.00 23.51 C ATOM 1649 O ASP A 100 5.483 5.832 6.641 1.00 34.04 O ATOM 1650 CB ASP A 100 6.244 7.866 9.211 1.00 23.12 C ATOM 1651 CG ASP A 100 6.261 6.458 9.820 1.00 25.33 C ATOM 1652 OD1 ASP A 100 7.300 5.769 9.734 1.00 12.22 O ATOM 1653 OD2 ASP A 100 5.226 6.031 10.381 1.00 22.51 O ATOM 0 H ASP A 100 5.655 9.878 8.045 1.00 3.21 H new ATOM 0 HA ASP A 100 7.169 7.563 7.240 1.00 12.11 H new ATOM 0 HB2 ASP A 100 7.122 8.408 9.563 1.00 23.12 H new ATOM 0 HB3 ASP A 100 5.370 8.397 9.587 1.00 23.12 H new ATOM 1658 N THR A 101 3.889 7.397 7.038 1.00 31.42 N ATOM 1659 CA THR A 101 2.730 6.568 6.622 1.00 23.51 C ATOM 1660 C THR A 101 1.859 7.331 5.602 1.00 21.45 C ATOM 1661 O THR A 101 1.799 8.565 5.635 1.00 44.52 O ATOM 1662 CB THR A 101 1.868 6.177 7.875 1.00 13.34 C ATOM 1663 OG1 THR A 101 2.714 5.558 8.858 1.00 33.12 O ATOM 1664 CG2 THR A 101 0.695 5.222 7.533 1.00 50.43 C ATOM 0 H THR A 101 3.632 8.347 7.305 1.00 31.42 H new ATOM 0 HA THR A 101 3.106 5.660 6.151 1.00 23.51 H new ATOM 0 HB THR A 101 1.428 7.097 8.261 1.00 13.34 H new ATOM 0 HG1 THR A 101 2.180 5.314 9.642 1.00 33.12 H new ATOM 0 HG21 THR A 101 0.138 4.990 8.441 1.00 50.43 H new ATOM 0 HG22 THR A 101 0.032 5.703 6.814 1.00 50.43 H new ATOM 0 HG23 THR A 101 1.089 4.301 7.104 1.00 50.43 H new ATOM 1672 N VAL A 102 1.196 6.586 4.687 1.00 1.11 N ATOM 1673 CA VAL A 102 0.261 7.158 3.700 1.00 64.32 C ATOM 1674 C VAL A 102 -1.167 6.613 3.933 1.00 3.15 C ATOM 1675 O VAL A 102 -1.366 5.426 4.230 1.00 62.11 O ATOM 1676 CB VAL A 102 0.725 6.893 2.211 1.00 65.24 C ATOM 1677 CG1 VAL A 102 0.863 5.385 1.890 1.00 25.03 C ATOM 1678 CG2 VAL A 102 -0.217 7.594 1.199 1.00 75.04 C ATOM 0 H VAL A 102 1.296 5.574 4.615 1.00 1.11 H new ATOM 0 HA VAL A 102 0.257 8.238 3.844 1.00 64.32 H new ATOM 0 HB VAL A 102 1.720 7.327 2.112 1.00 65.24 H new ATOM 0 HG11 VAL A 102 1.184 5.261 0.856 1.00 25.03 H new ATOM 0 HG12 VAL A 102 1.602 4.938 2.555 1.00 25.03 H new ATOM 0 HG13 VAL A 102 -0.099 4.893 2.033 1.00 25.03 H new ATOM 0 HG21 VAL A 102 0.126 7.394 0.184 1.00 75.04 H new ATOM 0 HG22 VAL A 102 -1.231 7.212 1.321 1.00 75.04 H new ATOM 0 HG23 VAL A 102 -0.210 8.669 1.380 1.00 75.04 H new ATOM 1688 N THR A 103 -2.145 7.520 3.829 1.00 33.22 N ATOM 1689 CA THR A 103 -3.576 7.224 3.932 1.00 41.01 C ATOM 1690 C THR A 103 -4.245 7.495 2.572 1.00 53.24 C ATOM 1691 O THR A 103 -4.359 8.653 2.154 1.00 35.42 O ATOM 1692 CB THR A 103 -4.237 8.104 5.039 1.00 43.23 C ATOM 1693 OG1 THR A 103 -3.518 7.929 6.272 1.00 71.01 O ATOM 1694 CG2 THR A 103 -5.734 7.757 5.245 1.00 32.21 C ATOM 0 H THR A 103 -1.956 8.509 3.666 1.00 33.22 H new ATOM 0 HA THR A 103 -3.708 6.177 4.204 1.00 41.01 H new ATOM 0 HB THR A 103 -4.189 9.144 4.717 1.00 43.23 H new ATOM 0 HG1 THR A 103 -3.928 8.481 6.971 1.00 71.01 H new ATOM 0 HG21 THR A 103 -6.151 8.394 6.024 1.00 32.21 H new ATOM 0 HG22 THR A 103 -6.277 7.920 4.314 1.00 32.21 H new ATOM 0 HG23 THR A 103 -5.828 6.712 5.542 1.00 32.21 H new ATOM 1702 N VAL A 104 -4.645 6.423 1.880 1.00 73.43 N ATOM 1703 CA VAL A 104 -5.308 6.506 0.573 1.00 33.45 C ATOM 1704 C VAL A 104 -6.819 6.314 0.753 1.00 31.01 C ATOM 1705 O VAL A 104 -7.260 5.281 1.248 1.00 21.50 O ATOM 1706 CB VAL A 104 -4.748 5.420 -0.417 1.00 64.12 C ATOM 1707 CG1 VAL A 104 -5.419 5.518 -1.819 1.00 33.45 C ATOM 1708 CG2 VAL A 104 -3.210 5.538 -0.517 1.00 20.54 C ATOM 0 H VAL A 104 -4.517 5.467 2.213 1.00 73.43 H new ATOM 0 HA VAL A 104 -5.108 7.489 0.147 1.00 33.45 H new ATOM 0 HB VAL A 104 -4.995 4.436 -0.019 1.00 64.12 H new ATOM 0 HG11 VAL A 104 -5.006 4.751 -2.475 1.00 33.45 H new ATOM 0 HG12 VAL A 104 -6.494 5.369 -1.719 1.00 33.45 H new ATOM 0 HG13 VAL A 104 -5.227 6.502 -2.246 1.00 33.45 H new ATOM 0 HG21 VAL A 104 -2.831 4.782 -1.205 1.00 20.54 H new ATOM 0 HG22 VAL A 104 -2.944 6.529 -0.885 1.00 20.54 H new ATOM 0 HG23 VAL A 104 -2.769 5.386 0.468 1.00 20.54 H new ATOM 1718 N GLU A 105 -7.599 7.316 0.367 1.00 12.41 N ATOM 1719 CA GLU A 105 -9.055 7.213 0.312 1.00 13.20 C ATOM 1720 C GLU A 105 -9.422 6.623 -1.064 1.00 53.20 C ATOM 1721 O GLU A 105 -9.168 7.243 -2.097 1.00 45.12 O ATOM 1722 CB GLU A 105 -9.677 8.626 0.573 1.00 55.02 C ATOM 1723 CG GLU A 105 -11.200 8.769 0.317 1.00 0.24 C ATOM 1724 CD GLU A 105 -11.519 9.401 -1.054 1.00 41.24 C ATOM 1725 OE1 GLU A 105 -11.419 10.639 -1.175 1.00 75.22 O ATOM 1726 OE2 GLU A 105 -11.843 8.673 -2.013 1.00 43.55 O ATOM 0 H GLU A 105 -7.240 8.227 0.082 1.00 12.41 H new ATOM 0 HA GLU A 105 -9.459 6.554 1.081 1.00 13.20 H new ATOM 0 HB2 GLU A 105 -9.478 8.901 1.609 1.00 55.02 H new ATOM 0 HB3 GLU A 105 -9.156 9.349 -0.054 1.00 55.02 H new ATOM 0 HG2 GLU A 105 -11.668 7.786 0.377 1.00 0.24 H new ATOM 0 HG3 GLU A 105 -11.640 9.380 1.105 1.00 0.24 H new ATOM 1733 N GLY A 106 -9.964 5.397 -1.059 1.00 43.53 N ATOM 1734 CA GLY A 106 -10.298 4.680 -2.291 1.00 35.32 C ATOM 1735 C GLY A 106 -11.792 4.672 -2.551 1.00 3.14 C ATOM 1736 O GLY A 106 -12.587 4.995 -1.659 1.00 32.51 O ATOM 0 H GLY A 106 -10.181 4.881 -0.207 1.00 43.53 H new ATOM 0 HA2 GLY A 106 -9.785 5.145 -3.133 1.00 35.32 H new ATOM 0 HA3 GLY A 106 -9.935 3.654 -2.224 1.00 35.32 H new ATOM 1740 N GLN A 107 -12.171 4.277 -3.772 1.00 65.03 N ATOM 1741 CA GLN A 107 -13.562 4.298 -4.242 1.00 20.44 C ATOM 1742 C GLN A 107 -13.873 3.017 -5.039 1.00 12.41 C ATOM 1743 O GLN A 107 -13.129 2.650 -5.962 1.00 30.21 O ATOM 1744 CB GLN A 107 -13.855 5.587 -5.090 1.00 32.21 C ATOM 1745 CG GLN A 107 -12.993 5.817 -6.368 1.00 64.32 C ATOM 1746 CD GLN A 107 -11.495 6.021 -6.111 1.00 41.41 C ATOM 1747 OE1 GLN A 107 -10.717 5.070 -6.135 1.00 32.21 O ATOM 1748 NE2 GLN A 107 -11.089 7.246 -5.826 1.00 42.43 N ATOM 0 H GLN A 107 -11.513 3.930 -4.470 1.00 65.03 H new ATOM 0 HA GLN A 107 -14.220 4.328 -3.374 1.00 20.44 H new ATOM 0 HB2 GLN A 107 -14.902 5.561 -5.391 1.00 32.21 H new ATOM 0 HB3 GLN A 107 -13.731 6.453 -4.440 1.00 32.21 H new ATOM 0 HG2 GLN A 107 -13.119 4.962 -7.032 1.00 64.32 H new ATOM 0 HG3 GLN A 107 -13.378 6.690 -6.896 1.00 64.32 H new ATOM 0 HE21 GLN A 107 -11.759 8.015 -5.814 1.00 42.43 H new ATOM 0 HE22 GLN A 107 -10.106 7.422 -5.618 1.00 42.43 H new