USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 955 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.318 K(o=-0.32,f=-1.4) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 92:sc= 0.0781 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -116:sc= -0.749 USER MOD Single : A 31 THR OG1 : rot 151:sc= 0.394 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.974 K(o=-0.97,f=-7.6!) USER MOD Single : A 37 ASN : amide:sc= -0.022 K(o=-0.022,f=-0.89) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -164:sc= -0.0643 (180deg=-0.394) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 129:sc= 0.125 USER MOD Single : A 57 MET CE :methyl -127:sc= -2.18 (180deg=-5.79!) USER MOD Single : A 60 MET CE :methyl -169:sc= -1.4 (180deg=-1.96) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -5.43! C(o=-5.4!,f=-6.5!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -3.38 X(o=-3.4,f=-3.6!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -142:sc= -1.07 (180deg=-4.27!) USER MOD Single : A 82 THR OG1 : rot -130:sc= -0.251 USER MOD Single : A 84 HIS : no HD1:sc= -0.0778 X(o=-0.078,f=-0.05) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.0554 K(o=-0.055,f=-1.8!) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 101 TYR OH : rot -117:sc= 0.251 USER MOD Single : A 104 LYS NZ :NH3+ -125:sc= 0.559 (180deg=0.0119) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= -0.0425 X(o=-0.043,f=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.973 5.127 -7.380 1.00 60.24 N ATOM 2 CA MET A 1 1.771 4.105 -6.360 1.00 34.01 C ATOM 3 C MET A 1 1.987 4.680 -4.964 1.00 5.41 C ATOM 4 O MET A 1 3.123 4.817 -4.509 1.00 71.33 O ATOM 5 CB MET A 1 2.719 2.927 -6.592 1.00 3.32 C ATOM 6 CG MET A 1 2.325 1.671 -5.833 1.00 31.32 C ATOM 7 SD MET A 1 3.576 1.158 -4.640 1.00 1.31 S ATOM 8 CE MET A 1 2.546 0.514 -3.324 1.00 72.22 C ATOM 0 H1 MET A 1 1.821 4.713 -8.322 1.00 60.24 H new ATOM 0 H2 MET A 1 1.299 5.905 -7.231 1.00 60.24 H new ATOM 0 H3 MET A 1 2.944 5.494 -7.316 1.00 60.24 H new ATOM 0 HA MET A 1 0.742 3.753 -6.433 1.00 34.01 H new ATOM 0 HB2 MET A 1 2.752 2.702 -7.658 1.00 3.32 H new ATOM 0 HB3 MET A 1 3.727 3.219 -6.297 1.00 3.32 H new ATOM 0 HG2 MET A 1 1.383 1.846 -5.313 1.00 31.32 H new ATOM 0 HG3 MET A 1 2.152 0.862 -6.543 1.00 31.32 H new ATOM 0 HE1 MET A 1 3.177 0.157 -2.510 1.00 72.22 H new ATOM 0 HE2 MET A 1 1.891 1.303 -2.956 1.00 72.22 H new ATOM 0 HE3 MET A 1 1.943 -0.310 -3.704 1.00 72.22 H new ATOM 18 N GLN A 2 0.892 5.016 -4.290 1.00 50.13 N ATOM 19 CA GLN A 2 0.964 5.578 -2.947 1.00 21.34 C ATOM 20 C GLN A 2 -0.432 5.830 -2.386 1.00 62.14 C ATOM 21 O GLN A 2 -1.287 6.405 -3.060 1.00 70.21 O ATOM 22 CB GLN A 2 1.765 6.881 -2.958 1.00 61.20 C ATOM 23 CG GLN A 2 2.952 6.873 -2.009 1.00 5.41 C ATOM 24 CD GLN A 2 3.944 7.981 -2.306 1.00 20.10 C ATOM 25 OE1 GLN A 2 3.642 8.918 -3.045 1.00 41.41 O ATOM 26 NE2 GLN A 2 5.136 7.879 -1.730 1.00 21.10 N ATOM 0 H GLN A 2 -0.055 4.909 -4.652 1.00 50.13 H new ATOM 0 HA GLN A 2 1.468 4.855 -2.305 1.00 21.34 H new ATOM 0 HB2 GLN A 2 2.121 7.070 -3.971 1.00 61.20 H new ATOM 0 HB3 GLN A 2 1.104 7.706 -2.693 1.00 61.20 H new ATOM 0 HG2 GLN A 2 2.594 6.976 -0.985 1.00 5.41 H new ATOM 0 HG3 GLN A 2 3.458 5.910 -2.075 1.00 5.41 H new ATOM 0 HE21 GLN A 2 5.343 7.085 -1.124 1.00 21.10 H new ATOM 0 HE22 GLN A 2 5.844 8.595 -1.893 1.00 21.10 H new ATOM 35 N ARG A 3 -0.655 5.396 -1.150 1.00 73.14 N ATOM 36 CA ARG A 3 -1.948 5.573 -0.500 1.00 52.34 C ATOM 37 C ARG A 3 -1.893 5.116 0.954 1.00 22.52 C ATOM 38 O ARG A 3 -1.119 4.227 1.307 1.00 62.31 O ATOM 39 CB ARG A 3 -3.031 4.795 -1.250 1.00 50.22 C ATOM 40 CG ARG A 3 -4.446 5.217 -0.888 1.00 4.11 C ATOM 41 CD ARG A 3 -5.011 4.362 0.236 1.00 53.45 C ATOM 42 NE ARG A 3 -5.910 3.325 -0.265 1.00 3.51 N ATOM 43 CZ ARG A 3 -6.597 2.505 0.523 1.00 44.53 C ATOM 44 NH1 ARG A 3 -6.489 2.602 1.841 1.00 64.34 N ATOM 45 NH2 ARG A 3 -7.394 1.587 -0.008 1.00 10.21 N ATOM 0 H ARG A 3 0.043 4.919 -0.579 1.00 73.14 H new ATOM 0 HA ARG A 3 -2.194 6.635 -0.520 1.00 52.34 H new ATOM 0 HB2 ARG A 3 -2.885 4.927 -2.322 1.00 50.22 H new ATOM 0 HB3 ARG A 3 -2.913 3.732 -1.041 1.00 50.22 H new ATOM 0 HG2 ARG A 3 -4.449 6.265 -0.587 1.00 4.11 H new ATOM 0 HG3 ARG A 3 -5.087 5.136 -1.766 1.00 4.11 H new ATOM 0 HD2 ARG A 3 -4.192 3.898 0.785 1.00 53.45 H new ATOM 0 HD3 ARG A 3 -5.547 4.998 0.941 1.00 53.45 H new ATOM 0 HE ARG A 3 -6.016 3.225 -1.275 1.00 3.51 H new ATOM 0 HH11 ARG A 3 -5.877 3.307 2.252 1.00 64.34 H new ATOM 0 HH12 ARG A 3 -7.017 1.971 2.444 1.00 64.34 H new ATOM 0 HH21 ARG A 3 -7.480 1.511 -1.022 1.00 10.21 H new ATOM 0 HH22 ARG A 3 -7.921 0.958 0.597 1.00 10.21 H new ATOM 59 N GLY A 4 -2.720 5.730 1.795 1.00 43.12 N ATOM 60 CA GLY A 4 -2.749 5.373 3.201 1.00 24.10 C ATOM 61 C GLY A 4 -3.412 6.435 4.055 1.00 31.35 C ATOM 62 O GLY A 4 -3.619 7.562 3.606 1.00 54.21 O ATOM 0 H GLY A 4 -3.371 6.469 1.527 1.00 43.12 H new ATOM 0 HA2 GLY A 4 -3.281 4.429 3.322 1.00 24.10 H new ATOM 0 HA3 GLY A 4 -1.730 5.212 3.553 1.00 24.10 H new ATOM 66 N ILE A 5 -3.747 6.074 5.290 1.00 53.43 N ATOM 67 CA ILE A 5 -4.392 7.005 6.208 1.00 23.21 C ATOM 68 C ILE A 5 -3.383 7.988 6.792 1.00 11.21 C ATOM 69 O ILE A 5 -2.532 7.615 7.599 1.00 4.01 O ATOM 70 CB ILE A 5 -5.095 6.263 7.360 1.00 25.32 C ATOM 71 CG1 ILE A 5 -5.902 5.081 6.818 1.00 44.42 C ATOM 72 CG2 ILE A 5 -5.994 7.216 8.133 1.00 31.52 C ATOM 73 CD1 ILE A 5 -6.525 4.228 7.900 1.00 61.21 C ATOM 0 H ILE A 5 -3.583 5.145 5.677 1.00 53.43 H new ATOM 0 HA ILE A 5 -5.137 7.553 5.631 1.00 23.21 H new ATOM 0 HB ILE A 5 -4.336 5.878 8.041 1.00 25.32 H new ATOM 0 HG12 ILE A 5 -6.689 5.458 6.165 1.00 44.42 H new ATOM 0 HG13 ILE A 5 -5.251 4.458 6.205 1.00 44.42 H new ATOM 0 HG21 ILE A 5 -6.484 6.677 8.944 1.00 31.52 H new ATOM 0 HG22 ILE A 5 -5.394 8.027 8.547 1.00 31.52 H new ATOM 0 HG23 ILE A 5 -6.749 7.628 7.463 1.00 31.52 H new ATOM 0 HD11 ILE A 5 -7.081 3.410 7.443 1.00 61.21 H new ATOM 0 HD12 ILE A 5 -5.741 3.821 8.539 1.00 61.21 H new ATOM 0 HD13 ILE A 5 -7.202 4.837 8.499 1.00 61.21 H new ATOM 85 N VAL A 6 -3.486 9.248 6.380 1.00 30.20 N ATOM 86 CA VAL A 6 -2.585 10.287 6.864 1.00 21.43 C ATOM 87 C VAL A 6 -3.314 11.264 7.780 1.00 71.25 C ATOM 88 O VAL A 6 -4.041 12.141 7.314 1.00 40.41 O ATOM 89 CB VAL A 6 -1.951 11.068 5.698 1.00 0.11 C ATOM 90 CG1 VAL A 6 -0.867 12.005 6.210 1.00 73.04 C ATOM 91 CG2 VAL A 6 -1.391 10.110 4.657 1.00 14.13 C ATOM 0 H VAL A 6 -4.185 9.574 5.712 1.00 30.20 H new ATOM 0 HA VAL A 6 -1.797 9.786 7.426 1.00 21.43 H new ATOM 0 HB VAL A 6 -2.725 11.671 5.224 1.00 0.11 H new ATOM 0 HG11 VAL A 6 -0.430 12.548 5.372 1.00 73.04 H new ATOM 0 HG12 VAL A 6 -1.302 12.714 6.915 1.00 73.04 H new ATOM 0 HG13 VAL A 6 -0.091 11.425 6.710 1.00 73.04 H new ATOM 0 HG21 VAL A 6 -0.947 10.679 3.840 1.00 14.13 H new ATOM 0 HG22 VAL A 6 -0.630 9.479 5.116 1.00 14.13 H new ATOM 0 HG23 VAL A 6 -2.195 9.485 4.268 1.00 14.13 H new ATOM 101 N TRP A 7 -3.114 11.106 9.083 1.00 74.11 N ATOM 102 CA TRP A 7 -3.753 11.975 10.065 1.00 51.34 C ATOM 103 C TRP A 7 -2.734 12.906 10.713 1.00 63.43 C ATOM 104 O TRP A 7 -1.901 12.472 11.509 1.00 32.21 O ATOM 105 CB TRP A 7 -4.454 11.140 11.137 1.00 24.52 C ATOM 106 CG TRP A 7 -5.686 10.447 10.640 1.00 52.03 C ATOM 107 CD1 TRP A 7 -6.144 10.412 9.354 1.00 51.25 C ATOM 108 CD2 TRP A 7 -6.619 9.692 11.420 1.00 21.33 C ATOM 109 NE1 TRP A 7 -7.305 9.681 9.288 1.00 74.34 N ATOM 110 CE2 TRP A 7 -7.617 9.227 10.542 1.00 53.11 C ATOM 111 CE3 TRP A 7 -6.707 9.361 12.775 1.00 22.21 C ATOM 112 CZ2 TRP A 7 -8.689 8.451 10.977 1.00 44.33 C ATOM 113 CZ3 TRP A 7 -7.771 8.591 13.205 1.00 2.11 C ATOM 114 CH2 TRP A 7 -8.750 8.143 12.308 1.00 23.54 C ATOM 0 H TRP A 7 -2.515 10.385 9.484 1.00 74.11 H new ATOM 0 HA TRP A 7 -4.494 12.583 9.547 1.00 51.34 H new ATOM 0 HB2 TRP A 7 -3.757 10.395 11.520 1.00 24.52 H new ATOM 0 HB3 TRP A 7 -4.722 11.786 11.973 1.00 24.52 H new ATOM 0 HD1 TRP A 7 -5.664 10.889 8.512 1.00 51.25 H new ATOM 0 HE1 TRP A 7 -7.847 9.505 8.442 1.00 74.34 H new ATOM 0 HE3 TRP A 7 -5.957 9.701 13.474 1.00 22.21 H new ATOM 0 HZ2 TRP A 7 -9.445 8.105 10.288 1.00 44.33 H new ATOM 0 HZ3 TRP A 7 -7.849 8.330 14.250 1.00 2.11 H new ATOM 0 HH2 TRP A 7 -9.569 7.542 12.675 1.00 23.54 H new ATOM 125 N VAL A 8 -2.804 14.187 10.367 1.00 54.13 N ATOM 126 CA VAL A 8 -1.888 15.179 10.916 1.00 11.04 C ATOM 127 C VAL A 8 -2.628 16.189 11.786 1.00 34.34 C ATOM 128 O VAL A 8 -3.438 16.974 11.293 1.00 34.41 O ATOM 129 CB VAL A 8 -1.140 15.931 9.800 1.00 44.20 C ATOM 130 CG1 VAL A 8 -0.025 16.785 10.385 1.00 31.15 C ATOM 131 CG2 VAL A 8 -0.589 14.952 8.775 1.00 73.45 C ATOM 0 H VAL A 8 -3.486 14.562 9.708 1.00 54.13 H new ATOM 0 HA VAL A 8 -1.165 14.638 11.527 1.00 11.04 H new ATOM 0 HB VAL A 8 -1.845 16.592 9.296 1.00 44.20 H new ATOM 0 HG11 VAL A 8 0.492 17.309 9.581 1.00 31.15 H new ATOM 0 HG12 VAL A 8 -0.449 17.512 11.078 1.00 31.15 H new ATOM 0 HG13 VAL A 8 0.682 16.147 10.916 1.00 31.15 H new ATOM 0 HG21 VAL A 8 -0.063 15.501 7.994 1.00 73.45 H new ATOM 0 HG22 VAL A 8 0.102 14.265 9.263 1.00 73.45 H new ATOM 0 HG23 VAL A 8 -1.410 14.388 8.333 1.00 73.45 H new ATOM 141 N VAL A 9 -2.345 16.163 13.085 1.00 45.42 N ATOM 142 CA VAL A 9 -2.982 17.078 14.025 1.00 71.24 C ATOM 143 C VAL A 9 -2.045 18.219 14.403 1.00 63.02 C ATOM 144 O VAL A 9 -1.057 18.017 15.110 1.00 71.54 O ATOM 145 CB VAL A 9 -3.426 16.347 15.306 1.00 61.45 C ATOM 146 CG1 VAL A 9 -2.243 15.649 15.960 1.00 42.24 C ATOM 147 CG2 VAL A 9 -4.083 17.319 16.273 1.00 54.10 C ATOM 0 H VAL A 9 -1.679 15.518 13.510 1.00 45.42 H new ATOM 0 HA VAL A 9 -3.861 17.485 13.524 1.00 71.24 H new ATOM 0 HB VAL A 9 -4.160 15.588 15.035 1.00 61.45 H new ATOM 0 HG11 VAL A 9 -2.576 15.138 16.863 1.00 42.24 H new ATOM 0 HG12 VAL A 9 -1.821 14.922 15.266 1.00 42.24 H new ATOM 0 HG13 VAL A 9 -1.483 16.386 16.219 1.00 42.24 H new ATOM 0 HG21 VAL A 9 -4.390 16.785 17.172 1.00 54.10 H new ATOM 0 HG22 VAL A 9 -3.373 18.102 16.540 1.00 54.10 H new ATOM 0 HG23 VAL A 9 -4.957 17.767 15.801 1.00 54.10 H new ATOM 157 N ASP A 10 -2.361 19.419 13.928 1.00 23.30 N ATOM 158 CA ASP A 10 -1.548 20.594 14.218 1.00 44.15 C ATOM 159 C ASP A 10 -2.351 21.875 14.012 1.00 62.40 C ATOM 160 O ASP A 10 -3.325 21.894 13.260 1.00 72.03 O ATOM 161 CB ASP A 10 -0.302 20.610 13.330 1.00 53.43 C ATOM 162 CG ASP A 10 0.587 21.808 13.601 1.00 14.10 C ATOM 163 OD1 ASP A 10 0.734 22.182 14.783 1.00 35.44 O ATOM 164 OD2 ASP A 10 1.135 22.373 12.631 1.00 72.41 O ATOM 0 H ASP A 10 -3.174 19.603 13.341 1.00 23.30 H new ATOM 0 HA ASP A 10 -1.240 20.544 15.262 1.00 44.15 H new ATOM 0 HB2 ASP A 10 0.267 19.695 13.492 1.00 53.43 H new ATOM 0 HB3 ASP A 10 -0.606 20.616 12.283 1.00 53.43 H new ATOM 169 N ASP A 11 -1.936 22.942 14.686 1.00 30.40 N ATOM 170 CA ASP A 11 -2.617 24.227 14.578 1.00 62.35 C ATOM 171 C ASP A 11 -1.771 25.225 13.794 1.00 4.41 C ATOM 172 O ASP A 11 -0.998 25.989 14.374 1.00 54.23 O ATOM 173 CB ASP A 11 -2.927 24.783 15.968 1.00 20.42 C ATOM 174 CG ASP A 11 -4.412 24.778 16.276 1.00 44.25 C ATOM 175 OD1 ASP A 11 -5.174 25.420 15.524 1.00 14.41 O ATOM 176 OD2 ASP A 11 -4.811 24.133 17.268 1.00 5.30 O ATOM 0 H ASP A 11 -1.131 22.943 15.313 1.00 30.40 H new ATOM 0 HA ASP A 11 -3.553 24.071 14.042 1.00 62.35 H new ATOM 0 HB2 ASP A 11 -2.401 24.192 16.718 1.00 20.42 H new ATOM 0 HB3 ASP A 11 -2.547 25.802 16.042 1.00 20.42 H new ATOM 181 N ASP A 12 -1.921 25.213 12.474 1.00 22.12 N ATOM 182 CA ASP A 12 -1.171 26.117 11.611 1.00 45.52 C ATOM 183 C ASP A 12 -1.587 25.948 10.153 1.00 31.41 C ATOM 184 O ASP A 12 -1.250 24.952 9.513 1.00 62.22 O ATOM 185 CB ASP A 12 0.331 25.868 11.757 1.00 4.23 C ATOM 186 CG ASP A 12 1.147 27.136 11.595 1.00 62.44 C ATOM 187 OD1 ASP A 12 0.959 27.836 10.578 1.00 51.31 O ATOM 188 OD2 ASP A 12 1.973 27.427 12.484 1.00 3.22 O ATOM 0 H ASP A 12 -2.556 24.587 11.978 1.00 22.12 H new ATOM 0 HA ASP A 12 -1.394 27.139 11.918 1.00 45.52 H new ATOM 0 HB2 ASP A 12 0.531 25.434 12.737 1.00 4.23 H new ATOM 0 HB3 ASP A 12 0.649 25.137 11.013 1.00 4.23 H new ATOM 193 N SER A 13 -2.323 26.926 9.635 1.00 21.13 N ATOM 194 CA SER A 13 -2.790 26.882 8.255 1.00 41.44 C ATOM 195 C SER A 13 -1.631 26.619 7.297 1.00 14.33 C ATOM 196 O SER A 13 -1.812 26.024 6.235 1.00 54.40 O ATOM 197 CB SER A 13 -3.482 28.196 7.887 1.00 53.15 C ATOM 198 OG SER A 13 -4.810 27.967 7.448 1.00 13.31 O ATOM 0 H SER A 13 -2.609 27.758 10.151 1.00 21.13 H new ATOM 0 HA SER A 13 -3.505 26.065 8.165 1.00 41.44 H new ATOM 0 HB2 SER A 13 -3.491 28.861 8.751 1.00 53.15 H new ATOM 0 HB3 SER A 13 -2.918 28.700 7.102 1.00 53.15 H new ATOM 0 HG SER A 13 -5.231 28.822 7.220 1.00 13.31 H new ATOM 204 N SER A 14 -0.441 27.067 7.682 1.00 3.50 N ATOM 205 CA SER A 14 0.748 26.885 6.857 1.00 31.33 C ATOM 206 C SER A 14 1.089 25.404 6.716 1.00 11.34 C ATOM 207 O SER A 14 1.269 24.901 5.607 1.00 23.32 O ATOM 208 CB SER A 14 1.935 27.638 7.462 1.00 74.25 C ATOM 209 OG SER A 14 1.586 28.976 7.770 1.00 15.13 O ATOM 0 H SER A 14 -0.274 27.559 8.560 1.00 3.50 H new ATOM 0 HA SER A 14 0.538 27.288 5.866 1.00 31.33 H new ATOM 0 HB2 SER A 14 2.270 27.129 8.366 1.00 74.25 H new ATOM 0 HB3 SER A 14 2.771 27.629 6.762 1.00 74.25 H new ATOM 0 HG SER A 14 1.277 29.028 8.699 1.00 15.13 H new ATOM 215 N ILE A 15 1.176 24.713 7.848 1.00 14.40 N ATOM 216 CA ILE A 15 1.494 23.291 7.852 1.00 72.05 C ATOM 217 C ILE A 15 0.294 22.458 7.414 1.00 52.13 C ATOM 218 O ILE A 15 0.448 21.343 6.916 1.00 31.55 O ATOM 219 CB ILE A 15 1.951 22.820 9.245 1.00 74.32 C ATOM 220 CG1 ILE A 15 2.939 23.821 9.847 1.00 31.41 C ATOM 221 CG2 ILE A 15 2.577 21.436 9.157 1.00 40.11 C ATOM 222 CD1 ILE A 15 4.186 24.015 9.013 1.00 21.53 C ATOM 0 H ILE A 15 1.031 25.115 8.774 1.00 14.40 H new ATOM 0 HA ILE A 15 2.310 23.148 7.144 1.00 72.05 H new ATOM 0 HB ILE A 15 1.079 22.762 9.897 1.00 74.32 H new ATOM 0 HG12 ILE A 15 2.440 24.782 9.970 1.00 31.41 H new ATOM 0 HG13 ILE A 15 3.226 23.482 10.842 1.00 31.41 H new ATOM 0 HG21 ILE A 15 2.895 21.117 10.149 1.00 40.11 H new ATOM 0 HG22 ILE A 15 1.845 20.730 8.766 1.00 40.11 H new ATOM 0 HG23 ILE A 15 3.440 21.469 8.492 1.00 40.11 H new ATOM 0 HD11 ILE A 15 4.841 24.738 9.500 1.00 21.53 H new ATOM 0 HD12 ILE A 15 4.708 23.063 8.912 1.00 21.53 H new ATOM 0 HD13 ILE A 15 3.909 24.384 8.025 1.00 21.53 H new ATOM 234 N ARG A 16 -0.901 23.009 7.600 1.00 33.44 N ATOM 235 CA ARG A 16 -2.128 22.317 7.224 1.00 33.11 C ATOM 236 C ARG A 16 -2.359 22.399 5.718 1.00 43.11 C ATOM 237 O ARG A 16 -3.051 21.561 5.140 1.00 41.55 O ATOM 238 CB ARG A 16 -3.324 22.915 7.967 1.00 34.32 C ATOM 239 CG ARG A 16 -3.209 22.823 9.480 1.00 74.10 C ATOM 240 CD ARG A 16 -4.264 21.895 10.064 1.00 43.45 C ATOM 241 NE ARG A 16 -5.615 22.285 9.669 1.00 43.24 N ATOM 242 CZ ARG A 16 -6.706 21.933 10.338 1.00 15.14 C ATOM 243 NH1 ARG A 16 -6.607 21.188 11.430 1.00 21.15 N ATOM 244 NH2 ARG A 16 -7.901 22.327 9.916 1.00 11.12 N ATOM 0 H ARG A 16 -1.046 23.932 8.009 1.00 33.44 H new ATOM 0 HA ARG A 16 -2.023 21.268 7.502 1.00 33.11 H new ATOM 0 HB2 ARG A 16 -3.432 23.962 7.682 1.00 34.32 H new ATOM 0 HB3 ARG A 16 -4.232 22.403 7.648 1.00 34.32 H new ATOM 0 HG2 ARG A 16 -2.216 22.462 9.749 1.00 74.10 H new ATOM 0 HG3 ARG A 16 -3.316 23.817 9.915 1.00 74.10 H new ATOM 0 HD2 ARG A 16 -4.071 20.874 9.735 1.00 43.45 H new ATOM 0 HD3 ARG A 16 -4.189 21.899 11.151 1.00 43.45 H new ATOM 0 HE ARG A 16 -5.726 22.859 8.833 1.00 43.24 H new ATOM 0 HH11 ARG A 16 -5.691 20.884 11.758 1.00 21.15 H new ATOM 0 HH12 ARG A 16 -7.447 20.919 11.942 1.00 21.15 H new ATOM 0 HH21 ARG A 16 -7.982 22.901 9.077 1.00 11.12 H new ATOM 0 HH22 ARG A 16 -8.739 22.056 10.431 1.00 11.12 H new ATOM 258 N TRP A 17 -1.775 23.413 5.090 1.00 2.21 N ATOM 259 CA TRP A 17 -1.917 23.605 3.651 1.00 11.02 C ATOM 260 C TRP A 17 -0.957 22.703 2.884 1.00 20.52 C ATOM 261 O TRP A 17 -1.380 21.853 2.100 1.00 55.30 O ATOM 262 CB TRP A 17 -1.665 25.068 3.284 1.00 41.14 C ATOM 263 CG TRP A 17 -1.414 25.278 1.821 1.00 54.41 C ATOM 264 CD1 TRP A 17 -2.325 25.168 0.809 1.00 32.32 C ATOM 265 CD2 TRP A 17 -0.171 25.634 1.207 1.00 62.41 C ATOM 266 NE1 TRP A 17 -1.722 25.433 -0.397 1.00 35.31 N ATOM 267 CE2 TRP A 17 -0.401 25.722 -0.180 1.00 53.10 C ATOM 268 CE3 TRP A 17 1.114 25.887 1.693 1.00 3.45 C ATOM 269 CZ2 TRP A 17 0.607 26.052 -1.082 1.00 55.21 C ATOM 270 CZ3 TRP A 17 2.113 26.215 0.797 1.00 65.32 C ATOM 271 CH2 TRP A 17 1.855 26.296 -0.578 1.00 62.41 C ATOM 0 H TRP A 17 -1.199 24.115 5.554 1.00 2.21 H new ATOM 0 HA TRP A 17 -2.937 23.338 3.373 1.00 11.02 H new ATOM 0 HB2 TRP A 17 -2.525 25.665 3.587 1.00 41.14 H new ATOM 0 HB3 TRP A 17 -0.808 25.435 3.849 1.00 41.14 H new ATOM 0 HD1 TRP A 17 -3.366 24.911 0.938 1.00 32.32 H new ATOM 0 HE1 TRP A 17 -2.183 25.417 -1.306 1.00 35.31 H new ATOM 0 HE3 TRP A 17 1.323 25.827 2.751 1.00 3.45 H new ATOM 0 HZ2 TRP A 17 0.410 26.113 -2.142 1.00 55.21 H new ATOM 0 HZ3 TRP A 17 3.110 26.412 1.162 1.00 65.32 H new ATOM 0 HH2 TRP A 17 2.657 26.556 -1.253 1.00 62.41 H new ATOM 282 N VAL A 18 0.338 22.891 3.115 1.00 4.34 N ATOM 283 CA VAL A 18 1.359 22.093 2.447 1.00 73.23 C ATOM 284 C VAL A 18 1.083 20.602 2.608 1.00 51.11 C ATOM 285 O VAL A 18 1.318 19.813 1.691 1.00 15.33 O ATOM 286 CB VAL A 18 2.764 22.406 2.994 1.00 61.24 C ATOM 287 CG1 VAL A 18 3.292 23.703 2.400 1.00 73.12 C ATOM 288 CG2 VAL A 18 2.741 22.476 4.513 1.00 14.10 C ATOM 0 H VAL A 18 0.705 23.590 3.761 1.00 4.34 H new ATOM 0 HA VAL A 18 1.323 22.354 1.389 1.00 73.23 H new ATOM 0 HB VAL A 18 3.437 21.600 2.701 1.00 61.24 H new ATOM 0 HG11 VAL A 18 4.286 23.908 2.798 1.00 73.12 H new ATOM 0 HG12 VAL A 18 3.348 23.610 1.315 1.00 73.12 H new ATOM 0 HG13 VAL A 18 2.621 24.522 2.660 1.00 73.12 H new ATOM 0 HG21 VAL A 18 3.742 22.698 4.882 1.00 14.10 H new ATOM 0 HG22 VAL A 18 2.055 23.261 4.831 1.00 14.10 H new ATOM 0 HG23 VAL A 18 2.409 21.519 4.916 1.00 14.10 H new ATOM 298 N LEU A 19 0.583 20.222 3.778 1.00 21.15 N ATOM 299 CA LEU A 19 0.274 18.824 4.061 1.00 50.42 C ATOM 300 C LEU A 19 -0.725 18.273 3.049 1.00 34.42 C ATOM 301 O LEU A 19 -0.446 17.293 2.358 1.00 14.52 O ATOM 302 CB LEU A 19 -0.285 18.681 5.477 1.00 13.44 C ATOM 303 CG LEU A 19 0.729 18.334 6.568 1.00 40.14 C ATOM 304 CD1 LEU A 19 0.918 16.828 6.661 1.00 61.05 C ATOM 305 CD2 LEU A 19 2.058 19.025 6.299 1.00 21.21 C ATOM 0 H LEU A 19 0.383 20.862 4.547 1.00 21.15 H new ATOM 0 HA LEU A 19 1.197 18.250 3.983 1.00 50.42 H new ATOM 0 HB2 LEU A 19 -0.775 19.616 5.749 1.00 13.44 H new ATOM 0 HB3 LEU A 19 -1.055 17.909 5.466 1.00 13.44 H new ATOM 0 HG LEU A 19 0.344 18.691 7.523 1.00 40.14 H new ATOM 0 HD11 LEU A 19 1.643 16.600 7.442 1.00 61.05 H new ATOM 0 HD12 LEU A 19 -0.035 16.356 6.901 1.00 61.05 H new ATOM 0 HD13 LEU A 19 1.282 16.447 5.707 1.00 61.05 H new ATOM 0 HD21 LEU A 19 2.768 18.767 7.085 1.00 21.21 H new ATOM 0 HD22 LEU A 19 2.449 18.699 5.335 1.00 21.21 H new ATOM 0 HD23 LEU A 19 1.910 20.105 6.284 1.00 21.21 H new ATOM 317 N GLU A 20 -1.889 18.909 2.967 1.00 15.51 N ATOM 318 CA GLU A 20 -2.929 18.482 2.038 1.00 13.33 C ATOM 319 C GLU A 20 -2.488 18.694 0.593 1.00 60.51 C ATOM 320 O GLU A 20 -2.978 18.029 -0.320 1.00 71.03 O ATOM 321 CB GLU A 20 -4.227 19.248 2.304 1.00 72.11 C ATOM 322 CG GLU A 20 -5.392 18.788 1.444 1.00 72.41 C ATOM 323 CD GLU A 20 -6.737 19.168 2.031 1.00 13.34 C ATOM 324 OE1 GLU A 20 -6.975 20.377 2.237 1.00 70.22 O ATOM 325 OE2 GLU A 20 -7.552 18.257 2.286 1.00 73.34 O ATOM 0 H GLU A 20 -2.136 19.721 3.532 1.00 15.51 H new ATOM 0 HA GLU A 20 -3.105 17.418 2.194 1.00 13.33 H new ATOM 0 HB2 GLU A 20 -4.496 19.137 3.355 1.00 72.11 H new ATOM 0 HB3 GLU A 20 -4.055 20.310 2.130 1.00 72.11 H new ATOM 0 HG2 GLU A 20 -5.298 19.223 0.449 1.00 72.41 H new ATOM 0 HG3 GLU A 20 -5.345 17.706 1.324 1.00 72.41 H new ATOM 332 N ARG A 21 -1.560 19.624 0.394 1.00 61.33 N ATOM 333 CA ARG A 21 -1.053 19.924 -0.940 1.00 15.40 C ATOM 334 C ARG A 21 -0.342 18.714 -1.537 1.00 61.21 C ATOM 335 O ARG A 21 -0.311 18.538 -2.755 1.00 32.44 O ATOM 336 CB ARG A 21 -0.097 21.117 -0.889 1.00 12.34 C ATOM 337 CG ARG A 21 -0.616 22.345 -1.619 1.00 3.41 C ATOM 338 CD ARG A 21 -0.231 22.322 -3.090 1.00 0.51 C ATOM 339 NE ARG A 21 -1.016 23.271 -3.876 1.00 22.22 N ATOM 340 CZ ARG A 21 -2.281 23.067 -4.224 1.00 34.40 C ATOM 341 NH1 ARG A 21 -2.902 21.954 -3.857 1.00 70.23 N ATOM 342 NH2 ARG A 21 -2.929 23.977 -4.940 1.00 61.10 N ATOM 0 H ARG A 21 -1.144 20.183 1.139 1.00 61.33 H new ATOM 0 HA ARG A 21 -1.902 20.174 -1.576 1.00 15.40 H new ATOM 0 HB2 ARG A 21 0.091 21.377 0.153 1.00 12.34 H new ATOM 0 HB3 ARG A 21 0.859 20.824 -1.322 1.00 12.34 H new ATOM 0 HG2 ARG A 21 -1.701 22.393 -1.526 1.00 3.41 H new ATOM 0 HG3 ARG A 21 -0.216 23.244 -1.151 1.00 3.41 H new ATOM 0 HD2 ARG A 21 0.829 22.557 -3.191 1.00 0.51 H new ATOM 0 HD3 ARG A 21 -0.374 21.317 -3.487 1.00 0.51 H new ATOM 0 HE ARG A 21 -0.568 24.138 -4.174 1.00 22.22 H new ATOM 0 HH11 ARG A 21 -2.408 21.252 -3.306 1.00 70.23 H new ATOM 0 HH12 ARG A 21 -3.874 21.800 -4.126 1.00 70.23 H new ATOM 0 HH21 ARG A 21 -2.455 24.835 -5.224 1.00 61.10 H new ATOM 0 HH22 ARG A 21 -3.901 23.819 -5.207 1.00 61.10 H new ATOM 356 N ALA A 22 0.229 17.883 -0.671 1.00 43.11 N ATOM 357 CA ALA A 22 0.939 16.689 -1.112 1.00 61.15 C ATOM 358 C ALA A 22 -0.009 15.501 -1.238 1.00 14.51 C ATOM 359 O ALA A 22 -0.163 14.928 -2.317 1.00 72.20 O ATOM 360 CB ALA A 22 2.072 16.363 -0.151 1.00 20.43 C ATOM 0 H ALA A 22 0.214 18.015 0.340 1.00 43.11 H new ATOM 0 HA ALA A 22 1.360 16.890 -2.097 1.00 61.15 H new ATOM 0 HB1 ALA A 22 2.593 15.469 -0.493 1.00 20.43 H new ATOM 0 HB2 ALA A 22 2.771 17.199 -0.115 1.00 20.43 H new ATOM 0 HB3 ALA A 22 1.665 16.187 0.845 1.00 20.43 H new ATOM 366 N LEU A 23 -0.643 15.137 -0.129 1.00 21.33 N ATOM 367 CA LEU A 23 -1.577 14.016 -0.114 1.00 43.03 C ATOM 368 C LEU A 23 -2.602 14.147 -1.236 1.00 63.13 C ATOM 369 O LEU A 23 -2.715 13.270 -2.092 1.00 71.01 O ATOM 370 CB LEU A 23 -2.290 13.938 1.237 1.00 42.12 C ATOM 371 CG LEU A 23 -1.405 14.104 2.473 1.00 33.21 C ATOM 372 CD1 LEU A 23 -2.218 13.898 3.742 1.00 23.11 C ATOM 373 CD2 LEU A 23 -0.234 13.134 2.424 1.00 23.14 C ATOM 0 H LEU A 23 -0.528 15.602 0.772 1.00 21.33 H new ATOM 0 HA LEU A 23 -1.009 13.099 -0.271 1.00 43.03 H new ATOM 0 HB2 LEU A 23 -3.063 14.706 1.262 1.00 42.12 H new ATOM 0 HB3 LEU A 23 -2.796 12.975 1.303 1.00 42.12 H new ATOM 0 HG LEU A 23 -1.009 15.120 2.480 1.00 33.21 H new ATOM 0 HD11 LEU A 23 -1.572 14.020 4.612 1.00 23.11 H new ATOM 0 HD12 LEU A 23 -3.023 14.632 3.782 1.00 23.11 H new ATOM 0 HD13 LEU A 23 -2.643 12.894 3.743 1.00 23.11 H new ATOM 0 HD21 LEU A 23 0.385 13.266 3.311 1.00 23.14 H new ATOM 0 HD22 LEU A 23 -0.610 12.111 2.393 1.00 23.14 H new ATOM 0 HD23 LEU A 23 0.363 13.329 1.533 1.00 23.14 H new ATOM 385 N ALA A 24 -3.345 15.249 -1.226 1.00 64.25 N ATOM 386 CA ALA A 24 -4.357 15.497 -2.245 1.00 70.45 C ATOM 387 C ALA A 24 -3.774 15.347 -3.647 1.00 2.35 C ATOM 388 O ALA A 24 -4.492 15.048 -4.600 1.00 2.43 O ATOM 389 CB ALA A 24 -4.957 16.883 -2.067 1.00 15.24 C ATOM 0 H ALA A 24 -3.265 15.984 -0.523 1.00 64.25 H new ATOM 0 HA ALA A 24 -5.145 14.754 -2.126 1.00 70.45 H new ATOM 0 HB1 ALA A 24 -5.711 17.054 -2.835 1.00 15.24 H new ATOM 0 HB2 ALA A 24 -5.419 16.956 -1.082 1.00 15.24 H new ATOM 0 HB3 ALA A 24 -4.172 17.634 -2.156 1.00 15.24 H new ATOM 395 N GLY A 25 -2.466 15.558 -3.764 1.00 52.21 N ATOM 396 CA GLY A 25 -1.809 15.443 -5.053 1.00 12.21 C ATOM 397 C GLY A 25 -1.391 14.020 -5.365 1.00 45.23 C ATOM 398 O GLY A 25 -1.396 13.605 -6.523 1.00 74.55 O ATOM 0 H GLY A 25 -1.850 15.806 -2.990 1.00 52.21 H new ATOM 0 HA2 GLY A 25 -2.481 15.800 -5.833 1.00 12.21 H new ATOM 0 HA3 GLY A 25 -0.931 16.088 -5.069 1.00 12.21 H new ATOM 402 N ALA A 26 -1.024 13.272 -4.330 1.00 34.02 N ATOM 403 CA ALA A 26 -0.601 11.888 -4.499 1.00 70.44 C ATOM 404 C ALA A 26 -1.762 10.926 -4.269 1.00 11.30 C ATOM 405 O ALA A 26 -1.572 9.713 -4.203 1.00 32.42 O ATOM 406 CB ALA A 26 0.547 11.567 -3.554 1.00 45.22 C ATOM 0 H ALA A 26 -1.011 13.602 -3.365 1.00 34.02 H new ATOM 0 HA ALA A 26 -0.258 11.763 -5.526 1.00 70.44 H new ATOM 0 HB1 ALA A 26 0.852 10.530 -3.692 1.00 45.22 H new ATOM 0 HB2 ALA A 26 1.389 12.225 -3.768 1.00 45.22 H new ATOM 0 HB3 ALA A 26 0.223 11.716 -2.524 1.00 45.22 H new ATOM 412 N GLY A 27 -2.966 11.478 -4.147 1.00 21.34 N ATOM 413 CA GLY A 27 -4.140 10.654 -3.924 1.00 1.32 C ATOM 414 C GLY A 27 -4.186 10.077 -2.523 1.00 64.52 C ATOM 415 O GLY A 27 -5.049 9.255 -2.210 1.00 3.40 O ATOM 0 H GLY A 27 -3.149 12.480 -4.199 1.00 21.34 H new ATOM 0 HA2 GLY A 27 -5.036 11.249 -4.098 1.00 1.32 H new ATOM 0 HA3 GLY A 27 -4.152 9.840 -4.649 1.00 1.32 H new ATOM 419 N LEU A 28 -3.254 10.504 -1.678 1.00 61.21 N ATOM 420 CA LEU A 28 -3.190 10.022 -0.303 1.00 1.34 C ATOM 421 C LEU A 28 -4.322 10.611 0.534 1.00 63.24 C ATOM 422 O LEU A 28 -4.704 11.768 0.356 1.00 44.03 O ATOM 423 CB LEU A 28 -1.840 10.380 0.322 1.00 40.34 C ATOM 424 CG LEU A 28 -0.602 10.004 -0.494 1.00 15.10 C ATOM 425 CD1 LEU A 28 0.620 10.753 0.014 1.00 33.23 C ATOM 426 CD2 LEU A 28 -0.368 8.501 -0.445 1.00 11.30 C ATOM 0 H LEU A 28 -2.533 11.183 -1.921 1.00 61.21 H new ATOM 0 HA LEU A 28 -3.300 8.938 -0.319 1.00 1.34 H new ATOM 0 HB2 LEU A 28 -1.819 11.455 0.502 1.00 40.34 H new ATOM 0 HB3 LEU A 28 -1.772 9.892 1.294 1.00 40.34 H new ATOM 0 HG LEU A 28 -0.773 10.291 -1.531 1.00 15.10 H new ATOM 0 HD11 LEU A 28 1.491 10.473 -0.579 1.00 33.23 H new ATOM 0 HD12 LEU A 28 0.451 11.826 -0.074 1.00 33.23 H new ATOM 0 HD13 LEU A 28 0.795 10.498 1.059 1.00 33.23 H new ATOM 0 HD21 LEU A 28 0.517 8.251 -1.031 1.00 11.30 H new ATOM 0 HD22 LEU A 28 -0.218 8.190 0.589 1.00 11.30 H new ATOM 0 HD23 LEU A 28 -1.234 7.984 -0.858 1.00 11.30 H new ATOM 438 N THR A 29 -4.854 9.807 1.449 1.00 73.11 N ATOM 439 CA THR A 29 -5.941 10.248 2.314 1.00 74.33 C ATOM 440 C THR A 29 -5.478 11.348 3.262 1.00 52.14 C ATOM 441 O THR A 29 -4.668 11.108 4.158 1.00 53.11 O ATOM 442 CB THR A 29 -6.510 9.079 3.141 1.00 54.43 C ATOM 443 OG1 THR A 29 -6.782 7.962 2.288 1.00 63.34 O ATOM 444 CG2 THR A 29 -7.784 9.496 3.860 1.00 34.42 C ATOM 0 H THR A 29 -4.550 8.847 1.610 1.00 73.11 H new ATOM 0 HA THR A 29 -6.724 10.639 1.664 1.00 74.33 H new ATOM 0 HB THR A 29 -5.767 8.794 3.886 1.00 54.43 H new ATOM 0 HG1 THR A 29 -7.142 7.223 2.822 1.00 63.34 H new ATOM 0 HG21 THR A 29 -8.168 8.655 4.437 1.00 34.42 H new ATOM 0 HG22 THR A 29 -7.568 10.328 4.530 1.00 34.42 H new ATOM 0 HG23 THR A 29 -8.531 9.804 3.128 1.00 34.42 H new ATOM 452 N CYS A 30 -5.997 12.554 3.059 1.00 61.03 N ATOM 453 CA CYS A 30 -5.636 13.692 3.896 1.00 0.33 C ATOM 454 C CYS A 30 -6.678 13.917 4.987 1.00 30.11 C ATOM 455 O CYS A 30 -7.881 13.838 4.738 1.00 55.12 O ATOM 456 CB CYS A 30 -5.492 14.954 3.044 1.00 73.01 C ATOM 457 SG CYS A 30 -5.120 16.447 3.993 1.00 44.43 S ATOM 0 H CYS A 30 -6.669 12.769 2.322 1.00 61.03 H new ATOM 0 HA CYS A 30 -4.680 13.472 4.371 1.00 0.33 H new ATOM 0 HB2 CYS A 30 -4.701 14.796 2.311 1.00 73.01 H new ATOM 0 HB3 CYS A 30 -6.416 15.111 2.487 1.00 73.01 H new ATOM 0 HG CYS A 30 -6.102 17.291 3.876 1.00 44.43 H new ATOM 463 N THR A 31 -6.208 14.196 6.199 1.00 30.41 N ATOM 464 CA THR A 31 -7.098 14.429 7.329 1.00 33.42 C ATOM 465 C THR A 31 -6.538 15.498 8.260 1.00 44.04 C ATOM 466 O THR A 31 -5.324 15.602 8.444 1.00 33.11 O ATOM 467 CB THR A 31 -7.335 13.137 8.134 1.00 25.30 C ATOM 468 OG1 THR A 31 -7.932 12.140 7.297 1.00 43.22 O ATOM 469 CG2 THR A 31 -8.232 13.403 9.333 1.00 23.44 C ATOM 0 H THR A 31 -5.215 14.266 6.423 1.00 30.41 H new ATOM 0 HA THR A 31 -8.047 14.771 6.917 1.00 33.42 H new ATOM 0 HB THR A 31 -6.371 12.778 8.494 1.00 25.30 H new ATOM 0 HG1 THR A 31 -7.670 11.249 7.612 1.00 43.22 H new ATOM 0 HG21 THR A 31 -8.385 12.476 9.886 1.00 23.44 H new ATOM 0 HG22 THR A 31 -7.761 14.140 9.983 1.00 23.44 H new ATOM 0 HG23 THR A 31 -9.194 13.784 8.990 1.00 23.44 H new ATOM 477 N THR A 32 -7.428 16.292 8.846 1.00 51.55 N ATOM 478 CA THR A 32 -7.022 17.355 9.757 1.00 61.31 C ATOM 479 C THR A 32 -8.099 17.625 10.801 1.00 21.34 C ATOM 480 O THR A 32 -9.291 17.475 10.532 1.00 41.54 O ATOM 481 CB THR A 32 -6.720 18.661 8.998 1.00 24.23 C ATOM 482 OG1 THR A 32 -7.908 19.144 8.363 1.00 50.45 O ATOM 483 CG2 THR A 32 -5.634 18.442 7.956 1.00 43.03 C ATOM 0 H THR A 32 -8.436 16.219 8.706 1.00 51.55 H new ATOM 0 HA THR A 32 -6.114 17.015 10.255 1.00 61.31 H new ATOM 0 HB THR A 32 -6.367 19.400 9.717 1.00 24.23 H new ATOM 0 HG1 THR A 32 -7.708 19.975 7.884 1.00 50.45 H new ATOM 0 HG21 THR A 32 -5.438 19.378 7.433 1.00 43.03 H new ATOM 0 HG22 THR A 32 -4.722 18.103 8.447 1.00 43.03 H new ATOM 0 HG23 THR A 32 -5.963 17.688 7.240 1.00 43.03 H new ATOM 491 N PHE A 33 -7.672 18.024 11.995 1.00 32.41 N ATOM 492 CA PHE A 33 -8.601 18.314 13.081 1.00 0.50 C ATOM 493 C PHE A 33 -8.185 19.578 13.829 1.00 70.13 C ATOM 494 O PHE A 33 -8.727 20.657 13.593 1.00 10.11 O ATOM 495 CB PHE A 33 -8.670 17.133 14.051 1.00 11.54 C ATOM 496 CG PHE A 33 -9.091 15.847 13.401 1.00 74.12 C ATOM 497 CD1 PHE A 33 -10.423 15.613 13.096 1.00 25.42 C ATOM 498 CD2 PHE A 33 -8.156 14.872 13.094 1.00 31.43 C ATOM 499 CE1 PHE A 33 -10.813 14.430 12.497 1.00 35.21 C ATOM 500 CE2 PHE A 33 -8.541 13.687 12.495 1.00 50.31 C ATOM 501 CZ PHE A 33 -9.871 13.466 12.197 1.00 35.41 C ATOM 0 H PHE A 33 -6.689 18.154 12.235 1.00 32.41 H new ATOM 0 HA PHE A 33 -9.588 18.477 12.648 1.00 0.50 H new ATOM 0 HB2 PHE A 33 -7.692 16.994 14.512 1.00 11.54 H new ATOM 0 HB3 PHE A 33 -9.369 17.372 14.852 1.00 11.54 H new ATOM 0 HD1 PHE A 33 -11.164 16.363 13.329 1.00 25.42 H new ATOM 0 HD2 PHE A 33 -7.114 15.040 13.325 1.00 31.43 H new ATOM 0 HE1 PHE A 33 -11.854 14.260 12.264 1.00 35.21 H new ATOM 0 HE2 PHE A 33 -7.802 12.935 12.260 1.00 50.31 H new ATOM 0 HZ PHE A 33 -10.174 12.541 11.730 1.00 35.41 H new ATOM 511 N GLU A 34 -7.220 19.434 14.731 1.00 25.41 N ATOM 512 CA GLU A 34 -6.732 20.563 15.514 1.00 20.23 C ATOM 513 C GLU A 34 -5.778 20.094 16.610 1.00 74.04 C ATOM 514 O GLU A 34 -4.591 20.414 16.592 1.00 64.34 O ATOM 515 CB GLU A 34 -7.904 21.325 16.136 1.00 52.25 C ATOM 516 CG GLU A 34 -8.062 22.739 15.602 1.00 41.12 C ATOM 517 CD GLU A 34 -9.448 23.002 15.047 1.00 73.23 C ATOM 518 OE1 GLU A 34 -10.414 23.010 15.839 1.00 65.22 O ATOM 519 OE2 GLU A 34 -9.568 23.200 13.819 1.00 25.33 O ATOM 0 H GLU A 34 -6.761 18.547 14.938 1.00 25.41 H new ATOM 0 HA GLU A 34 -6.189 21.229 14.844 1.00 20.23 H new ATOM 0 HB2 GLU A 34 -8.825 20.771 15.953 1.00 52.25 H new ATOM 0 HB3 GLU A 34 -7.767 21.367 17.217 1.00 52.25 H new ATOM 0 HG2 GLU A 34 -7.854 23.450 16.401 1.00 41.12 H new ATOM 0 HG3 GLU A 34 -7.323 22.913 14.820 1.00 41.12 H new ATOM 526 N ASN A 35 -6.309 19.334 17.562 1.00 2.24 N ATOM 527 CA ASN A 35 -5.506 18.822 18.667 1.00 61.32 C ATOM 528 C ASN A 35 -5.734 17.325 18.857 1.00 42.25 C ATOM 529 O ASN A 35 -6.748 16.781 18.423 1.00 55.22 O ATOM 530 CB ASN A 35 -5.843 19.568 19.959 1.00 12.22 C ATOM 531 CG ASN A 35 -7.184 19.154 20.533 1.00 33.31 C ATOM 532 OD1 ASN A 35 -8.029 18.601 19.829 1.00 54.23 O ATOM 533 ND2 ASN A 35 -7.385 19.420 21.818 1.00 33.25 N ATOM 0 H ASN A 35 -7.291 19.059 17.591 1.00 2.24 H new ATOM 0 HA ASN A 35 -4.456 18.984 18.425 1.00 61.32 H new ATOM 0 HB2 ASN A 35 -5.062 19.382 20.697 1.00 12.22 H new ATOM 0 HB3 ASN A 35 -5.850 20.641 19.765 1.00 12.22 H new ATOM 0 HD21 ASN A 35 -8.268 19.164 22.260 1.00 33.25 H new ATOM 0 HD22 ASN A 35 -6.656 19.880 22.364 1.00 33.25 H new ATOM 540 N GLY A 36 -4.782 16.665 19.509 1.00 63.12 N ATOM 541 CA GLY A 36 -4.897 15.238 19.745 1.00 34.31 C ATOM 542 C GLY A 36 -6.270 14.843 20.252 1.00 13.54 C ATOM 543 O GLY A 36 -6.766 13.761 19.943 1.00 53.11 O ATOM 0 H GLY A 36 -3.933 17.093 19.878 1.00 63.12 H new ATOM 0 HA2 GLY A 36 -4.687 14.702 18.820 1.00 34.31 H new ATOM 0 HA3 GLY A 36 -4.143 14.931 20.470 1.00 34.31 H new ATOM 547 N ASN A 37 -6.885 15.724 21.036 1.00 73.33 N ATOM 548 CA ASN A 37 -8.209 15.461 21.589 1.00 23.41 C ATOM 549 C ASN A 37 -9.214 15.168 20.479 1.00 11.24 C ATOM 550 O ASN A 37 -9.995 14.222 20.570 1.00 32.13 O ATOM 551 CB ASN A 37 -8.683 16.654 22.421 1.00 40.01 C ATOM 552 CG ASN A 37 -9.629 16.244 23.533 1.00 52.22 C ATOM 553 OD1 ASN A 37 -10.176 15.141 23.523 1.00 43.11 O ATOM 554 ND2 ASN A 37 -9.827 17.134 24.499 1.00 72.32 N ATOM 0 H ASN A 37 -6.488 16.625 21.302 1.00 73.33 H new ATOM 0 HA ASN A 37 -8.139 14.583 22.232 1.00 23.41 H new ATOM 0 HB2 ASN A 37 -7.819 17.160 22.851 1.00 40.01 H new ATOM 0 HB3 ASN A 37 -9.181 17.372 21.770 1.00 40.01 H new ATOM 0 HD21 ASN A 37 -10.454 16.915 25.273 1.00 72.32 H new ATOM 0 HD22 ASN A 37 -9.352 18.036 24.466 1.00 72.32 H new ATOM 561 N GLU A 38 -9.187 15.987 19.433 1.00 40.43 N ATOM 562 CA GLU A 38 -10.096 15.816 18.306 1.00 53.22 C ATOM 563 C GLU A 38 -9.826 14.500 17.583 1.00 23.55 C ATOM 564 O GLU A 38 -10.741 13.715 17.335 1.00 33.03 O ATOM 565 CB GLU A 38 -9.958 16.985 17.328 1.00 62.11 C ATOM 566 CG GLU A 38 -10.406 18.317 17.904 1.00 1.45 C ATOM 567 CD GLU A 38 -11.587 18.908 17.159 1.00 31.22 C ATOM 568 OE1 GLU A 38 -11.642 18.760 15.921 1.00 41.14 O ATOM 569 OE2 GLU A 38 -12.457 19.518 17.816 1.00 72.33 O ATOM 0 H GLU A 38 -8.546 16.775 19.342 1.00 40.43 H new ATOM 0 HA GLU A 38 -11.114 15.795 18.695 1.00 53.22 H new ATOM 0 HB2 GLU A 38 -8.917 17.066 17.016 1.00 62.11 H new ATOM 0 HB3 GLU A 38 -10.543 16.770 16.434 1.00 62.11 H new ATOM 0 HG2 GLU A 38 -10.673 18.184 18.952 1.00 1.45 H new ATOM 0 HG3 GLU A 38 -9.574 19.020 17.874 1.00 1.45 H new ATOM 576 N VAL A 39 -8.561 14.264 17.248 1.00 50.40 N ATOM 577 CA VAL A 39 -8.168 13.043 16.555 1.00 54.43 C ATOM 578 C VAL A 39 -8.747 11.811 17.241 1.00 3.34 C ATOM 579 O VAL A 39 -9.052 10.810 16.591 1.00 4.44 O ATOM 580 CB VAL A 39 -6.636 12.906 16.484 1.00 41.31 C ATOM 581 CG1 VAL A 39 -6.243 11.477 16.144 1.00 64.13 C ATOM 582 CG2 VAL A 39 -6.060 13.882 15.469 1.00 54.23 C ATOM 0 H VAL A 39 -7.791 14.903 17.446 1.00 50.40 H new ATOM 0 HA VAL A 39 -8.566 13.112 15.543 1.00 54.43 H new ATOM 0 HB VAL A 39 -6.221 13.148 17.462 1.00 41.31 H new ATOM 0 HG11 VAL A 39 -5.157 11.399 16.098 1.00 64.13 H new ATOM 0 HG12 VAL A 39 -6.623 10.803 16.912 1.00 64.13 H new ATOM 0 HG13 VAL A 39 -6.667 11.203 15.178 1.00 64.13 H new ATOM 0 HG21 VAL A 39 -4.976 13.771 15.432 1.00 54.23 H new ATOM 0 HG22 VAL A 39 -6.480 13.673 14.485 1.00 54.23 H new ATOM 0 HG23 VAL A 39 -6.311 14.902 15.762 1.00 54.23 H new ATOM 592 N LEU A 40 -8.896 11.891 18.559 1.00 61.40 N ATOM 593 CA LEU A 40 -9.439 10.782 19.336 1.00 61.53 C ATOM 594 C LEU A 40 -10.765 10.305 18.751 1.00 1.33 C ATOM 595 O LEU A 40 -10.940 9.120 18.469 1.00 12.41 O ATOM 596 CB LEU A 40 -9.632 11.201 20.794 1.00 74.11 C ATOM 597 CG LEU A 40 -8.392 11.737 21.508 1.00 4.44 C ATOM 598 CD1 LEU A 40 -8.504 11.520 23.009 1.00 11.14 C ATOM 599 CD2 LEU A 40 -7.134 11.074 20.964 1.00 15.44 C ATOM 0 H LEU A 40 -8.649 12.712 19.112 1.00 61.40 H new ATOM 0 HA LEU A 40 -8.727 9.958 19.293 1.00 61.53 H new ATOM 0 HB2 LEU A 40 -10.407 11.966 20.832 1.00 74.11 H new ATOM 0 HB3 LEU A 40 -10.005 10.342 21.352 1.00 74.11 H new ATOM 0 HG LEU A 40 -8.324 12.809 21.321 1.00 4.44 H new ATOM 0 HD11 LEU A 40 -7.612 11.908 23.500 1.00 11.14 H new ATOM 0 HD12 LEU A 40 -9.383 12.042 23.388 1.00 11.14 H new ATOM 0 HD13 LEU A 40 -8.598 10.454 23.217 1.00 11.14 H new ATOM 0 HD21 LEU A 40 -6.261 11.468 21.484 1.00 15.44 H new ATOM 0 HD22 LEU A 40 -7.194 9.997 21.120 1.00 15.44 H new ATOM 0 HD23 LEU A 40 -7.045 11.282 19.898 1.00 15.44 H new ATOM 611 N ALA A 41 -11.695 11.237 18.570 1.00 2.45 N ATOM 612 CA ALA A 41 -13.003 10.914 18.016 1.00 72.34 C ATOM 613 C ALA A 41 -12.872 10.032 16.779 1.00 61.53 C ATOM 614 O ALA A 41 -13.676 9.126 16.563 1.00 72.51 O ATOM 615 CB ALA A 41 -13.764 12.188 17.679 1.00 23.12 C ATOM 0 H ALA A 41 -11.566 12.222 18.799 1.00 2.45 H new ATOM 0 HA ALA A 41 -13.562 10.359 18.770 1.00 72.34 H new ATOM 0 HB1 ALA A 41 -14.739 11.931 17.266 1.00 23.12 H new ATOM 0 HB2 ALA A 41 -13.898 12.782 18.583 1.00 23.12 H new ATOM 0 HB3 ALA A 41 -13.200 12.765 16.946 1.00 23.12 H new ATOM 621 N ALA A 42 -11.854 10.303 15.969 1.00 5.22 N ATOM 622 CA ALA A 42 -11.617 9.533 14.755 1.00 62.04 C ATOM 623 C ALA A 42 -10.818 8.269 15.053 1.00 22.11 C ATOM 624 O ALA A 42 -11.008 7.236 14.410 1.00 22.40 O ATOM 625 CB ALA A 42 -10.894 10.385 13.722 1.00 41.11 C ATOM 0 H ALA A 42 -11.180 11.051 16.132 1.00 5.22 H new ATOM 0 HA ALA A 42 -12.584 9.233 14.351 1.00 62.04 H new ATOM 0 HB1 ALA A 42 -10.724 9.797 12.820 1.00 41.11 H new ATOM 0 HB2 ALA A 42 -11.503 11.255 13.478 1.00 41.11 H new ATOM 0 HB3 ALA A 42 -9.937 10.714 14.127 1.00 41.11 H new ATOM 631 N LEU A 43 -9.923 8.357 16.031 1.00 12.41 N ATOM 632 CA LEU A 43 -9.094 7.220 16.415 1.00 40.13 C ATOM 633 C LEU A 43 -9.954 5.998 16.722 1.00 1.43 C ATOM 634 O LEU A 43 -9.712 4.910 16.202 1.00 24.33 O ATOM 635 CB LEU A 43 -8.238 7.575 17.632 1.00 52.22 C ATOM 636 CG LEU A 43 -6.944 8.336 17.343 1.00 2.22 C ATOM 637 CD1 LEU A 43 -6.382 8.938 18.622 1.00 61.11 C ATOM 638 CD2 LEU A 43 -5.921 7.419 16.689 1.00 43.54 C ATOM 0 H LEU A 43 -9.753 9.204 16.573 1.00 12.41 H new ATOM 0 HA LEU A 43 -8.440 6.979 15.577 1.00 40.13 H new ATOM 0 HB2 LEU A 43 -8.843 8.172 18.315 1.00 52.22 H new ATOM 0 HB3 LEU A 43 -7.985 6.653 18.154 1.00 52.22 H new ATOM 0 HG LEU A 43 -7.169 9.148 16.652 1.00 2.22 H new ATOM 0 HD11 LEU A 43 -5.461 9.476 18.397 1.00 61.11 H new ATOM 0 HD12 LEU A 43 -7.110 9.628 19.050 1.00 61.11 H new ATOM 0 HD13 LEU A 43 -6.172 8.142 19.337 1.00 61.11 H new ATOM 0 HD21 LEU A 43 -5.006 7.977 16.490 1.00 43.54 H new ATOM 0 HD22 LEU A 43 -5.700 6.586 17.356 1.00 43.54 H new ATOM 0 HD23 LEU A 43 -6.323 7.036 15.751 1.00 43.54 H new ATOM 650 N ALA A 44 -10.960 6.188 17.569 1.00 34.33 N ATOM 651 CA ALA A 44 -11.859 5.103 17.943 1.00 60.53 C ATOM 652 C ALA A 44 -12.467 4.444 16.709 1.00 64.21 C ATOM 653 O ALA A 44 -12.493 3.218 16.597 1.00 1.23 O ATOM 654 CB ALA A 44 -12.956 5.618 18.862 1.00 10.52 C ATOM 0 H ALA A 44 -11.173 7.083 18.009 1.00 34.33 H new ATOM 0 HA ALA A 44 -11.277 4.351 18.476 1.00 60.53 H new ATOM 0 HB1 ALA A 44 -13.619 4.797 19.133 1.00 10.52 H new ATOM 0 HB2 ALA A 44 -12.509 6.036 19.764 1.00 10.52 H new ATOM 0 HB3 ALA A 44 -13.527 6.392 18.349 1.00 10.52 H new ATOM 660 N SER A 45 -12.955 5.265 15.785 1.00 43.21 N ATOM 661 CA SER A 45 -13.566 4.762 14.561 1.00 75.42 C ATOM 662 C SER A 45 -12.537 4.042 13.695 1.00 23.01 C ATOM 663 O SER A 45 -12.788 2.948 13.190 1.00 33.30 O ATOM 664 CB SER A 45 -14.199 5.910 13.772 1.00 35.32 C ATOM 665 OG SER A 45 -14.850 6.825 14.637 1.00 24.11 O ATOM 0 H SER A 45 -12.939 6.282 15.861 1.00 43.21 H new ATOM 0 HA SER A 45 -14.343 4.050 14.839 1.00 75.42 H new ATOM 0 HB2 SER A 45 -13.430 6.430 13.200 1.00 35.32 H new ATOM 0 HB3 SER A 45 -14.915 5.511 13.054 1.00 35.32 H new ATOM 0 HG SER A 45 -15.245 7.550 14.109 1.00 24.11 H new ATOM 671 N LYS A 46 -11.375 4.665 13.528 1.00 70.22 N ATOM 672 CA LYS A 46 -10.305 4.086 12.725 1.00 64.22 C ATOM 673 C LYS A 46 -8.943 4.598 13.183 1.00 22.52 C ATOM 674 O LYS A 46 -8.841 5.662 13.794 1.00 21.24 O ATOM 675 CB LYS A 46 -10.514 4.416 11.245 1.00 24.31 C ATOM 676 CG LYS A 46 -10.379 3.212 10.329 1.00 45.04 C ATOM 677 CD LYS A 46 -9.331 3.445 9.253 1.00 50.02 C ATOM 678 CE LYS A 46 -9.669 4.658 8.399 1.00 23.14 C ATOM 679 NZ LYS A 46 -11.089 4.643 7.951 1.00 22.14 N ATOM 0 H LYS A 46 -11.151 5.571 13.938 1.00 70.22 H new ATOM 0 HA LYS A 46 -10.330 3.004 12.857 1.00 64.22 H new ATOM 0 HB2 LYS A 46 -11.505 4.852 11.115 1.00 24.31 H new ATOM 0 HB3 LYS A 46 -9.790 5.174 10.945 1.00 24.31 H new ATOM 0 HG2 LYS A 46 -10.109 2.335 10.917 1.00 45.04 H new ATOM 0 HG3 LYS A 46 -11.341 2.999 9.862 1.00 45.04 H new ATOM 0 HD2 LYS A 46 -8.356 3.587 9.718 1.00 50.02 H new ATOM 0 HD3 LYS A 46 -9.256 2.562 8.619 1.00 50.02 H new ATOM 0 HE2 LYS A 46 -9.477 5.568 8.968 1.00 23.14 H new ATOM 0 HE3 LYS A 46 -9.014 4.683 7.528 1.00 23.14 H new ATOM 0 HZ1 LYS A 46 -11.213 5.316 7.168 1.00 22.14 H new ATOM 0 HZ2 LYS A 46 -11.341 3.687 7.628 1.00 22.14 H new ATOM 0 HZ3 LYS A 46 -11.706 4.915 8.743 1.00 22.14 H new ATOM 693 N THR A 47 -7.897 3.834 12.883 1.00 22.31 N ATOM 694 CA THR A 47 -6.541 4.210 13.264 1.00 53.00 C ATOM 695 C THR A 47 -5.745 4.691 12.057 1.00 44.32 C ATOM 696 O THR A 47 -5.804 4.111 10.972 1.00 2.53 O ATOM 697 CB THR A 47 -5.795 3.033 13.921 1.00 13.52 C ATOM 698 OG1 THR A 47 -5.372 2.101 12.920 1.00 11.20 O ATOM 699 CG2 THR A 47 -6.683 2.328 14.935 1.00 14.21 C ATOM 0 H THR A 47 -7.963 2.951 12.377 1.00 22.31 H new ATOM 0 HA THR A 47 -6.629 5.022 13.985 1.00 53.00 H new ATOM 0 HB THR A 47 -4.922 3.429 14.440 1.00 13.52 H new ATOM 0 HG1 THR A 47 -4.897 1.357 13.346 1.00 11.20 H new ATOM 0 HG21 THR A 47 -6.135 1.501 15.386 1.00 14.21 H new ATOM 0 HG22 THR A 47 -6.979 3.033 15.712 1.00 14.21 H new ATOM 0 HG23 THR A 47 -7.572 1.944 14.435 1.00 14.21 H new ATOM 707 N PRO A 48 -4.980 5.777 12.246 1.00 22.11 N ATOM 708 CA PRO A 48 -4.155 6.359 11.183 1.00 10.33 C ATOM 709 C PRO A 48 -2.973 5.470 10.814 1.00 44.10 C ATOM 710 O PRO A 48 -2.576 4.597 11.586 1.00 64.23 O ATOM 711 CB PRO A 48 -3.665 7.674 11.795 1.00 2.00 C ATOM 712 CG PRO A 48 -3.701 7.444 13.266 1.00 12.05 C ATOM 713 CD PRO A 48 -4.861 6.519 13.512 1.00 22.14 C ATOM 0 HA PRO A 48 -4.714 6.486 10.256 1.00 10.33 H new ATOM 0 HB2 PRO A 48 -2.658 7.917 11.457 1.00 2.00 H new ATOM 0 HB3 PRO A 48 -4.307 8.507 11.509 1.00 2.00 H new ATOM 0 HG2 PRO A 48 -2.768 7.001 13.615 1.00 12.05 H new ATOM 0 HG3 PRO A 48 -3.829 8.383 13.805 1.00 12.05 H new ATOM 0 HD2 PRO A 48 -4.671 5.852 14.353 1.00 22.14 H new ATOM 0 HD3 PRO A 48 -5.773 7.070 13.742 1.00 22.14 H new ATOM 721 N ASP A 49 -2.414 5.698 9.630 1.00 11.05 N ATOM 722 CA ASP A 49 -1.275 4.918 9.159 1.00 13.15 C ATOM 723 C ASP A 49 0.033 5.484 9.702 1.00 10.54 C ATOM 724 O ASP A 49 0.896 4.742 10.171 1.00 42.04 O ATOM 725 CB ASP A 49 -1.241 4.898 7.631 1.00 72.15 C ATOM 726 CG ASP A 49 -0.978 3.512 7.076 1.00 71.24 C ATOM 727 OD1 ASP A 49 -0.502 2.648 7.841 1.00 63.44 O ATOM 728 OD2 ASP A 49 -1.248 3.291 5.876 1.00 2.51 O ATOM 0 H ASP A 49 -2.731 6.416 8.979 1.00 11.05 H new ATOM 0 HA ASP A 49 -1.388 3.898 9.526 1.00 13.15 H new ATOM 0 HB2 ASP A 49 -2.191 5.267 7.244 1.00 72.15 H new ATOM 0 HB3 ASP A 49 -0.467 5.580 7.279 1.00 72.15 H new ATOM 733 N VAL A 50 0.174 6.805 9.635 1.00 35.44 N ATOM 734 CA VAL A 50 1.376 7.471 10.120 1.00 64.00 C ATOM 735 C VAL A 50 1.068 8.888 10.591 1.00 71.21 C ATOM 736 O VAL A 50 1.316 9.859 9.876 1.00 43.52 O ATOM 737 CB VAL A 50 2.463 7.529 9.030 1.00 5.24 C ATOM 738 CG1 VAL A 50 3.694 8.263 9.542 1.00 73.01 C ATOM 739 CG2 VAL A 50 2.825 6.127 8.563 1.00 14.23 C ATOM 0 H VAL A 50 -0.530 7.434 9.249 1.00 35.44 H new ATOM 0 HA VAL A 50 1.745 6.884 10.961 1.00 64.00 H new ATOM 0 HB VAL A 50 2.068 8.081 8.177 1.00 5.24 H new ATOM 0 HG11 VAL A 50 4.451 8.294 8.759 1.00 73.01 H new ATOM 0 HG12 VAL A 50 3.421 9.280 9.823 1.00 73.01 H new ATOM 0 HG13 VAL A 50 4.093 7.741 10.412 1.00 73.01 H new ATOM 0 HG21 VAL A 50 3.594 6.187 7.793 1.00 14.23 H new ATOM 0 HG22 VAL A 50 3.201 5.548 9.407 1.00 14.23 H new ATOM 0 HG23 VAL A 50 1.940 5.640 8.154 1.00 14.23 H new ATOM 749 N LEU A 51 0.526 8.999 11.798 1.00 33.25 N ATOM 750 CA LEU A 51 0.183 10.298 12.367 1.00 41.02 C ATOM 751 C LEU A 51 1.418 10.981 12.946 1.00 15.45 C ATOM 752 O LEU A 51 2.323 10.321 13.458 1.00 42.42 O ATOM 753 CB LEU A 51 -0.882 10.137 13.453 1.00 61.21 C ATOM 754 CG LEU A 51 -1.293 11.415 14.185 1.00 22.21 C ATOM 755 CD1 LEU A 51 -2.798 11.445 14.403 1.00 25.21 C ATOM 756 CD2 LEU A 51 -0.557 11.529 15.512 1.00 33.04 C ATOM 0 H LEU A 51 0.314 8.205 12.402 1.00 33.25 H new ATOM 0 HA LEU A 51 -0.215 10.924 11.568 1.00 41.02 H new ATOM 0 HB2 LEU A 51 -1.772 9.700 12.999 1.00 61.21 H new ATOM 0 HB3 LEU A 51 -0.516 9.422 14.190 1.00 61.21 H new ATOM 0 HG LEU A 51 -1.020 12.270 13.566 1.00 22.21 H new ATOM 0 HD11 LEU A 51 -3.072 12.362 14.925 1.00 25.21 H new ATOM 0 HD12 LEU A 51 -3.306 11.411 13.439 1.00 25.21 H new ATOM 0 HD13 LEU A 51 -3.096 10.584 15.001 1.00 25.21 H new ATOM 0 HD21 LEU A 51 -0.862 12.444 16.020 1.00 33.04 H new ATOM 0 HD22 LEU A 51 -0.799 10.670 16.137 1.00 33.04 H new ATOM 0 HD23 LEU A 51 0.518 11.555 15.331 1.00 33.04 H new ATOM 768 N LEU A 52 1.446 12.307 12.865 1.00 23.03 N ATOM 769 CA LEU A 52 2.569 13.081 13.384 1.00 13.10 C ATOM 770 C LEU A 52 2.185 13.800 14.674 1.00 71.44 C ATOM 771 O LEU A 52 1.678 14.921 14.644 1.00 42.01 O ATOM 772 CB LEU A 52 3.038 14.097 12.341 1.00 25.22 C ATOM 773 CG LEU A 52 3.411 13.529 10.971 1.00 30.22 C ATOM 774 CD1 LEU A 52 2.179 13.416 10.087 1.00 33.43 C ATOM 775 CD2 LEU A 52 4.470 14.395 10.305 1.00 71.02 C ATOM 0 H LEU A 52 0.705 12.868 12.445 1.00 23.03 H new ATOM 0 HA LEU A 52 3.384 12.391 13.603 1.00 13.10 H new ATOM 0 HB2 LEU A 52 2.249 14.836 12.203 1.00 25.22 H new ATOM 0 HB3 LEU A 52 3.904 14.625 12.741 1.00 25.22 H new ATOM 0 HG LEU A 52 3.824 12.530 11.113 1.00 30.22 H new ATOM 0 HD11 LEU A 52 2.464 13.010 9.116 1.00 33.43 H new ATOM 0 HD12 LEU A 52 1.453 12.754 10.558 1.00 33.43 H new ATOM 0 HD13 LEU A 52 1.736 14.403 9.952 1.00 33.43 H new ATOM 0 HD21 LEU A 52 4.723 13.976 9.331 1.00 71.02 H new ATOM 0 HD22 LEU A 52 4.084 15.406 10.176 1.00 71.02 H new ATOM 0 HD23 LEU A 52 5.362 14.424 10.930 1.00 71.02 H new ATOM 787 N SER A 53 2.432 13.147 15.805 1.00 70.22 N ATOM 788 CA SER A 53 2.111 13.723 17.105 1.00 32.44 C ATOM 789 C SER A 53 2.701 15.123 17.240 1.00 10.12 C ATOM 790 O SER A 53 3.840 15.370 16.842 1.00 35.10 O ATOM 791 CB SER A 53 2.636 12.825 18.228 1.00 41.43 C ATOM 792 OG SER A 53 2.118 13.225 19.485 1.00 43.12 O ATOM 0 H SER A 53 2.853 12.219 15.847 1.00 70.22 H new ATOM 0 HA SER A 53 1.026 13.796 17.185 1.00 32.44 H new ATOM 0 HB2 SER A 53 2.359 11.790 18.030 1.00 41.43 H new ATOM 0 HB3 SER A 53 3.725 12.865 18.251 1.00 41.43 H new ATOM 0 HG SER A 53 1.731 12.449 19.941 1.00 43.12 H new ATOM 798 N ASP A 54 1.918 16.036 17.804 1.00 1.20 N ATOM 799 CA ASP A 54 2.362 17.412 17.993 1.00 11.41 C ATOM 800 C ASP A 54 2.350 17.789 19.471 1.00 1.03 C ATOM 801 O ASP A 54 1.296 17.809 20.108 1.00 4.02 O ATOM 802 CB ASP A 54 1.471 18.371 17.202 1.00 14.45 C ATOM 803 CG ASP A 54 2.267 19.443 16.484 1.00 61.31 C ATOM 804 OD1 ASP A 54 2.831 19.143 15.411 1.00 22.41 O ATOM 805 OD2 ASP A 54 2.327 20.581 16.995 1.00 60.13 O ATOM 0 H ASP A 54 0.973 15.848 18.138 1.00 1.20 H new ATOM 0 HA ASP A 54 3.385 17.491 17.625 1.00 11.41 H new ATOM 0 HB2 ASP A 54 0.890 17.805 16.474 1.00 14.45 H new ATOM 0 HB3 ASP A 54 0.760 18.843 17.879 1.00 14.45 H new ATOM 810 N ILE A 55 3.528 18.086 20.010 1.00 33.44 N ATOM 811 CA ILE A 55 3.652 18.461 21.413 1.00 2.23 C ATOM 812 C ILE A 55 4.019 19.934 21.557 1.00 0.34 C ATOM 813 O ILE A 55 4.903 20.291 22.337 1.00 50.04 O ATOM 814 CB ILE A 55 4.713 17.607 22.133 1.00 75.01 C ATOM 815 CG1 ILE A 55 5.988 17.523 21.292 1.00 0.21 C ATOM 816 CG2 ILE A 55 4.167 16.216 22.418 1.00 23.41 C ATOM 817 CD1 ILE A 55 6.002 16.356 20.330 1.00 53.44 C ATOM 0 H ILE A 55 4.409 18.074 19.497 1.00 33.44 H new ATOM 0 HA ILE A 55 2.680 18.283 21.874 1.00 2.23 H new ATOM 0 HB ILE A 55 4.958 18.082 23.083 1.00 75.01 H new ATOM 0 HG12 ILE A 55 6.104 18.449 20.729 1.00 0.21 H new ATOM 0 HG13 ILE A 55 6.848 17.445 21.957 1.00 0.21 H new ATOM 0 HG21 ILE A 55 4.928 15.624 22.927 1.00 23.41 H new ATOM 0 HG22 ILE A 55 3.284 16.295 23.052 1.00 23.41 H new ATOM 0 HG23 ILE A 55 3.898 15.731 21.479 1.00 23.41 H new ATOM 0 HD11 ILE A 55 6.936 16.359 19.767 1.00 53.44 H new ATOM 0 HD12 ILE A 55 5.918 15.423 20.888 1.00 53.44 H new ATOM 0 HD13 ILE A 55 5.162 16.443 19.640 1.00 53.44 H new ATOM 829 N ARG A 56 3.333 20.786 20.802 1.00 32.04 N ATOM 830 CA ARG A 56 3.586 22.221 20.846 1.00 12.14 C ATOM 831 C ARG A 56 2.607 22.973 19.949 1.00 4.40 C ATOM 832 O ARG A 56 3.007 23.603 18.970 1.00 15.42 O ATOM 833 CB ARG A 56 5.023 22.521 20.416 1.00 71.51 C ATOM 834 CG ARG A 56 5.613 23.754 21.079 1.00 10.14 C ATOM 835 CD ARG A 56 4.815 25.004 20.742 1.00 34.34 C ATOM 836 NE ARG A 56 5.450 26.214 21.256 1.00 50.31 N ATOM 837 CZ ARG A 56 6.545 26.749 20.729 1.00 44.53 C ATOM 838 NH1 ARG A 56 7.124 26.184 19.678 1.00 52.30 N ATOM 839 NH2 ARG A 56 7.064 27.853 21.252 1.00 24.23 N ATOM 0 H ARG A 56 2.598 20.507 20.152 1.00 32.04 H new ATOM 0 HA ARG A 56 3.444 22.558 21.873 1.00 12.14 H new ATOM 0 HB2 ARG A 56 5.650 21.660 20.647 1.00 71.51 H new ATOM 0 HB3 ARG A 56 5.049 22.653 19.334 1.00 71.51 H new ATOM 0 HG2 ARG A 56 5.632 23.613 22.160 1.00 10.14 H new ATOM 0 HG3 ARG A 56 6.646 23.883 20.756 1.00 10.14 H new ATOM 0 HD2 ARG A 56 4.706 25.084 19.660 1.00 34.34 H new ATOM 0 HD3 ARG A 56 3.811 24.917 21.158 1.00 34.34 H new ATOM 0 HE ARG A 56 5.030 26.673 22.064 1.00 50.31 H new ATOM 0 HH11 ARG A 56 6.728 25.336 19.272 1.00 52.30 H new ATOM 0 HH12 ARG A 56 7.965 26.597 19.275 1.00 52.30 H new ATOM 0 HH21 ARG A 56 6.622 28.291 22.060 1.00 24.23 H new ATOM 0 HH22 ARG A 56 7.905 28.263 20.846 1.00 24.23 H new ATOM 853 N MET A 57 1.325 22.902 20.290 1.00 71.10 N ATOM 854 CA MET A 57 0.290 23.577 19.515 1.00 31.24 C ATOM 855 C MET A 57 -0.859 24.022 20.415 1.00 71.42 C ATOM 856 O MET A 57 -1.132 23.423 21.455 1.00 34.32 O ATOM 857 CB MET A 57 -0.237 22.654 18.415 1.00 64.04 C ATOM 858 CG MET A 57 -0.486 21.229 18.883 1.00 5.52 C ATOM 859 SD MET A 57 -1.829 20.428 17.986 1.00 22.03 S ATOM 860 CE MET A 57 -1.723 18.762 18.636 1.00 41.22 C ATOM 0 H MET A 57 0.978 22.384 21.097 1.00 71.10 H new ATOM 0 HA MET A 57 0.733 24.461 19.056 1.00 31.24 H new ATOM 0 HB2 MET A 57 -1.166 23.066 18.021 1.00 64.04 H new ATOM 0 HB3 MET A 57 0.478 22.638 17.593 1.00 64.04 H new ATOM 0 HG2 MET A 57 0.427 20.646 18.760 1.00 5.52 H new ATOM 0 HG3 MET A 57 -0.719 21.236 19.948 1.00 5.52 H new ATOM 0 HE1 MET A 57 -1.656 18.053 17.811 1.00 41.22 H new ATOM 0 HE2 MET A 57 -0.837 18.672 19.264 1.00 41.22 H new ATOM 0 HE3 MET A 57 -2.612 18.546 19.229 1.00 41.22 H new ATOM 870 N PRO A 58 -1.549 25.097 20.007 1.00 3.40 N ATOM 871 CA PRO A 58 -2.679 25.646 20.762 1.00 73.21 C ATOM 872 C PRO A 58 -3.898 24.730 20.728 1.00 60.12 C ATOM 873 O PRO A 58 -4.844 24.967 19.978 1.00 63.45 O ATOM 874 CB PRO A 58 -2.980 26.963 20.043 1.00 12.20 C ATOM 875 CG PRO A 58 -2.476 26.761 18.656 1.00 52.43 C ATOM 876 CD PRO A 58 -1.278 25.861 18.777 1.00 32.22 C ATOM 0 HA PRO A 58 -2.443 25.766 21.819 1.00 73.21 H new ATOM 0 HB2 PRO A 58 -4.048 27.182 20.048 1.00 12.20 H new ATOM 0 HB3 PRO A 58 -2.480 27.802 20.528 1.00 12.20 H new ATOM 0 HG2 PRO A 58 -3.241 26.309 18.025 1.00 52.43 H new ATOM 0 HG3 PRO A 58 -2.205 27.712 18.197 1.00 52.43 H new ATOM 0 HD2 PRO A 58 -1.178 25.207 17.911 1.00 32.22 H new ATOM 0 HD3 PRO A 58 -0.353 26.432 18.854 1.00 32.22 H new ATOM 884 N GLY A 59 -3.869 23.682 21.546 1.00 4.33 N ATOM 885 CA GLY A 59 -4.977 22.747 21.594 1.00 71.11 C ATOM 886 C GLY A 59 -4.940 21.867 22.827 1.00 34.25 C ATOM 887 O GLY A 59 -5.887 21.848 23.613 1.00 14.52 O ATOM 0 H GLY A 59 -3.097 23.464 22.176 1.00 4.33 H new ATOM 0 HA2 GLY A 59 -5.916 23.300 21.574 1.00 71.11 H new ATOM 0 HA3 GLY A 59 -4.958 22.120 20.703 1.00 71.11 H new ATOM 891 N MET A 60 -3.845 21.134 22.997 1.00 22.12 N ATOM 892 CA MET A 60 -3.689 20.247 24.144 1.00 34.22 C ATOM 893 C MET A 60 -2.247 19.767 24.269 1.00 3.41 C ATOM 894 O MET A 60 -1.479 20.285 25.080 1.00 2.03 O ATOM 895 CB MET A 60 -4.629 19.046 24.018 1.00 10.14 C ATOM 896 CG MET A 60 -4.425 17.999 25.101 1.00 34.13 C ATOM 897 SD MET A 60 -5.873 16.949 25.333 1.00 2.02 S ATOM 898 CE MET A 60 -5.727 15.855 23.922 1.00 14.42 C ATOM 0 H MET A 60 -3.052 21.137 22.355 1.00 22.12 H new ATOM 0 HA MET A 60 -3.945 20.808 25.043 1.00 34.22 H new ATOM 0 HB2 MET A 60 -5.660 19.397 24.053 1.00 10.14 H new ATOM 0 HB3 MET A 60 -4.483 18.581 23.043 1.00 10.14 H new ATOM 0 HG2 MET A 60 -3.568 17.377 24.843 1.00 34.13 H new ATOM 0 HG3 MET A 60 -4.187 18.496 26.041 1.00 34.13 H new ATOM 0 HE1 MET A 60 -6.645 15.278 23.813 1.00 14.42 H new ATOM 0 HE2 MET A 60 -5.560 16.444 23.020 1.00 14.42 H new ATOM 0 HE3 MET A 60 -4.887 15.177 24.073 1.00 14.42 H new ATOM 908 N ASP A 61 -1.885 18.776 23.462 1.00 54.44 N ATOM 909 CA ASP A 61 -0.534 18.228 23.482 1.00 74.25 C ATOM 910 C ASP A 61 -0.401 17.075 22.491 1.00 34.14 C ATOM 911 O ASP A 61 -1.336 16.766 21.754 1.00 71.14 O ATOM 912 CB ASP A 61 -0.175 17.751 24.890 1.00 73.13 C ATOM 913 CG ASP A 61 -1.255 16.878 25.498 1.00 13.45 C ATOM 914 OD1 ASP A 61 -1.763 15.982 24.792 1.00 24.10 O ATOM 915 OD2 ASP A 61 -1.593 17.091 26.682 1.00 43.44 O ATOM 0 H ASP A 61 -2.509 18.336 22.786 1.00 54.44 H new ATOM 0 HA ASP A 61 0.157 19.018 23.188 1.00 74.25 H new ATOM 0 HB2 ASP A 61 0.761 17.194 24.854 1.00 73.13 H new ATOM 0 HB3 ASP A 61 -0.007 18.616 25.532 1.00 73.13 H new ATOM 920 N GLY A 62 0.768 16.443 22.480 1.00 23.55 N ATOM 921 CA GLY A 62 1.003 15.332 21.576 1.00 33.13 C ATOM 922 C GLY A 62 1.209 14.021 22.309 1.00 14.12 C ATOM 923 O GLY A 62 0.921 12.950 21.773 1.00 25.24 O ATOM 0 H GLY A 62 1.557 16.680 23.081 1.00 23.55 H new ATOM 0 HA2 GLY A 62 0.156 15.235 20.896 1.00 33.13 H new ATOM 0 HA3 GLY A 62 1.880 15.544 20.965 1.00 33.13 H new ATOM 927 N LEU A 63 1.709 14.104 23.537 1.00 12.00 N ATOM 928 CA LEU A 63 1.955 12.914 24.345 1.00 51.52 C ATOM 929 C LEU A 63 0.652 12.179 24.642 1.00 0.24 C ATOM 930 O LEU A 63 0.565 10.962 24.485 1.00 72.13 O ATOM 931 CB LEU A 63 2.648 13.297 25.654 1.00 42.24 C ATOM 932 CG LEU A 63 4.134 13.645 25.550 1.00 73.55 C ATOM 933 CD1 LEU A 63 4.651 14.178 26.876 1.00 24.44 C ATOM 934 CD2 LEU A 63 4.936 12.428 25.112 1.00 44.24 C ATOM 0 H LEU A 63 1.952 14.982 23.995 1.00 12.00 H new ATOM 0 HA LEU A 63 2.605 12.248 23.778 1.00 51.52 H new ATOM 0 HB2 LEU A 63 2.124 14.152 26.083 1.00 42.24 H new ATOM 0 HB3 LEU A 63 2.537 12.470 26.356 1.00 42.24 H new ATOM 0 HG LEU A 63 4.254 14.425 24.798 1.00 73.55 H new ATOM 0 HD11 LEU A 63 5.710 14.420 26.783 1.00 24.44 H new ATOM 0 HD12 LEU A 63 4.096 15.076 27.149 1.00 24.44 H new ATOM 0 HD13 LEU A 63 4.519 13.421 27.649 1.00 24.44 H new ATOM 0 HD21 LEU A 63 5.991 12.693 25.043 1.00 44.24 H new ATOM 0 HD22 LEU A 63 4.810 11.628 25.841 1.00 44.24 H new ATOM 0 HD23 LEU A 63 4.582 12.091 24.138 1.00 44.24 H new ATOM 946 N ALA A 64 -0.359 12.928 25.072 1.00 60.53 N ATOM 947 CA ALA A 64 -1.659 12.348 25.387 1.00 65.40 C ATOM 948 C ALA A 64 -2.233 11.602 24.187 1.00 3.10 C ATOM 949 O ALA A 64 -3.069 10.711 24.339 1.00 31.30 O ATOM 950 CB ALA A 64 -2.622 13.431 25.848 1.00 11.11 C ATOM 0 H ALA A 64 -0.302 13.937 25.210 1.00 60.53 H new ATOM 0 HA ALA A 64 -1.523 11.630 26.196 1.00 65.40 H new ATOM 0 HB1 ALA A 64 -3.589 12.984 26.080 1.00 11.11 H new ATOM 0 HB2 ALA A 64 -2.224 13.917 26.739 1.00 11.11 H new ATOM 0 HB3 ALA A 64 -2.745 14.170 25.056 1.00 11.11 H new ATOM 956 N LEU A 65 -1.780 11.972 22.994 1.00 3.44 N ATOM 957 CA LEU A 65 -2.249 11.339 21.767 1.00 32.21 C ATOM 958 C LEU A 65 -1.441 10.082 21.459 1.00 2.42 C ATOM 959 O LEU A 65 -2.001 9.036 21.130 1.00 21.23 O ATOM 960 CB LEU A 65 -2.156 12.319 20.596 1.00 31.41 C ATOM 961 CG LEU A 65 -2.940 11.939 19.339 1.00 22.23 C ATOM 962 CD1 LEU A 65 -4.435 12.079 19.580 1.00 41.34 C ATOM 963 CD2 LEU A 65 -2.504 12.796 18.160 1.00 55.21 C ATOM 0 H LEU A 65 -1.088 12.708 22.851 1.00 3.44 H new ATOM 0 HA LEU A 65 -3.291 11.052 21.911 1.00 32.21 H new ATOM 0 HB2 LEU A 65 -2.504 13.294 20.936 1.00 31.41 H new ATOM 0 HB3 LEU A 65 -1.106 12.432 20.325 1.00 31.41 H new ATOM 0 HG LEU A 65 -2.728 10.896 19.102 1.00 22.23 H new ATOM 0 HD11 LEU A 65 -4.977 11.804 18.675 1.00 41.34 H new ATOM 0 HD12 LEU A 65 -4.735 11.422 20.396 1.00 41.34 H new ATOM 0 HD13 LEU A 65 -4.666 13.111 19.842 1.00 41.34 H new ATOM 0 HD21 LEU A 65 -3.072 12.512 17.274 1.00 55.21 H new ATOM 0 HD22 LEU A 65 -2.686 13.846 18.387 1.00 55.21 H new ATOM 0 HD23 LEU A 65 -1.441 12.644 17.973 1.00 55.21 H new ATOM 975 N LEU A 66 -0.122 10.192 21.570 1.00 4.30 N ATOM 976 CA LEU A 66 0.765 9.064 21.306 1.00 50.32 C ATOM 977 C LEU A 66 0.611 7.988 22.376 1.00 50.41 C ATOM 978 O LEU A 66 0.856 6.808 22.125 1.00 11.11 O ATOM 979 CB LEU A 66 2.219 9.536 21.246 1.00 11.02 C ATOM 980 CG LEU A 66 3.261 8.462 20.932 1.00 73.20 C ATOM 981 CD1 LEU A 66 2.974 7.818 19.584 1.00 32.14 C ATOM 982 CD2 LEU A 66 4.662 9.055 20.954 1.00 11.12 C ATOM 0 H LEU A 66 0.357 11.051 21.841 1.00 4.30 H new ATOM 0 HA LEU A 66 0.489 8.634 20.343 1.00 50.32 H new ATOM 0 HB2 LEU A 66 2.295 10.319 20.492 1.00 11.02 H new ATOM 0 HB3 LEU A 66 2.472 9.991 22.204 1.00 11.02 H new ATOM 0 HG LEU A 66 3.203 7.691 21.700 1.00 73.20 H new ATOM 0 HD11 LEU A 66 3.726 7.056 19.377 1.00 32.14 H new ATOM 0 HD12 LEU A 66 1.986 7.357 19.604 1.00 32.14 H new ATOM 0 HD13 LEU A 66 3.004 8.578 18.804 1.00 32.14 H new ATOM 0 HD21 LEU A 66 5.390 8.276 20.728 1.00 11.12 H new ATOM 0 HD22 LEU A 66 4.734 9.846 20.208 1.00 11.12 H new ATOM 0 HD23 LEU A 66 4.867 9.468 21.942 1.00 11.12 H new ATOM 994 N LYS A 67 0.201 8.403 23.570 1.00 45.11 N ATOM 995 CA LYS A 67 0.011 7.476 24.679 1.00 74.44 C ATOM 996 C LYS A 67 -1.221 6.604 24.453 1.00 1.22 C ATOM 997 O LYS A 67 -1.357 5.540 25.056 1.00 72.13 O ATOM 998 CB LYS A 67 -0.129 8.244 25.995 1.00 72.21 C ATOM 999 CG LYS A 67 -0.003 7.366 27.228 1.00 71.22 C ATOM 1000 CD LYS A 67 0.235 8.193 28.480 1.00 44.33 C ATOM 1001 CE LYS A 67 1.630 7.965 29.042 1.00 62.35 C ATOM 1002 NZ LYS A 67 2.638 8.855 28.403 1.00 44.33 N ATOM 0 H LYS A 67 -0.006 9.376 23.794 1.00 45.11 H new ATOM 0 HA LYS A 67 0.887 6.830 24.735 1.00 74.44 H new ATOM 0 HB2 LYS A 67 0.633 9.023 26.034 1.00 72.21 H new ATOM 0 HB3 LYS A 67 -1.097 8.744 26.013 1.00 72.21 H new ATOM 0 HG2 LYS A 67 -0.911 6.775 27.349 1.00 71.22 H new ATOM 0 HG3 LYS A 67 0.820 6.664 27.093 1.00 71.22 H new ATOM 0 HD2 LYS A 67 0.103 9.250 28.250 1.00 44.33 H new ATOM 0 HD3 LYS A 67 -0.509 7.936 29.234 1.00 44.33 H new ATOM 0 HE2 LYS A 67 1.621 8.140 30.118 1.00 62.35 H new ATOM 0 HE3 LYS A 67 1.917 6.924 28.891 1.00 62.35 H new ATOM 0 HZ1 LYS A 67 3.575 8.669 28.813 1.00 44.33 H new ATOM 0 HZ2 LYS A 67 2.665 8.670 27.380 1.00 44.33 H new ATOM 0 HZ3 LYS A 67 2.379 9.848 28.569 1.00 44.33 H new ATOM 1016 N GLN A 68 -2.113 7.063 23.581 1.00 31.23 N ATOM 1017 CA GLN A 68 -3.332 6.324 23.277 1.00 75.54 C ATOM 1018 C GLN A 68 -3.051 5.191 22.295 1.00 33.41 C ATOM 1019 O GLN A 68 -3.253 4.018 22.612 1.00 71.21 O ATOM 1020 CB GLN A 68 -4.393 7.263 22.699 1.00 23.13 C ATOM 1021 CG GLN A 68 -5.566 7.504 23.635 1.00 74.21 C ATOM 1022 CD GLN A 68 -6.799 8.005 22.908 1.00 22.10 C ATOM 1023 OE1 GLN A 68 -6.930 7.835 21.695 1.00 14.55 O ATOM 1024 NE2 GLN A 68 -7.711 8.626 23.647 1.00 44.10 N ATOM 0 H GLN A 68 -2.014 7.942 23.073 1.00 31.23 H new ATOM 0 HA GLN A 68 -3.706 5.892 24.206 1.00 75.54 H new ATOM 0 HB2 GLN A 68 -3.928 8.219 22.459 1.00 23.13 H new ATOM 0 HB3 GLN A 68 -4.765 6.845 21.763 1.00 23.13 H new ATOM 0 HG2 GLN A 68 -5.807 6.577 24.155 1.00 74.21 H new ATOM 0 HG3 GLN A 68 -5.277 8.230 24.395 1.00 74.21 H new ATOM 0 HE21 GLN A 68 -7.561 8.745 24.649 1.00 44.10 H new ATOM 0 HE22 GLN A 68 -8.562 8.984 23.213 1.00 44.10 H new ATOM 1033 N ILE A 69 -2.585 5.549 21.104 1.00 72.25 N ATOM 1034 CA ILE A 69 -2.276 4.562 20.077 1.00 61.35 C ATOM 1035 C ILE A 69 -1.234 3.563 20.570 1.00 51.34 C ATOM 1036 O ILE A 69 -1.127 2.452 20.050 1.00 53.44 O ATOM 1037 CB ILE A 69 -1.760 5.231 18.789 1.00 1.42 C ATOM 1038 CG1 ILE A 69 -0.587 6.161 19.107 1.00 62.11 C ATOM 1039 CG2 ILE A 69 -2.881 5.999 18.106 1.00 52.54 C ATOM 1040 CD1 ILE A 69 -0.037 6.876 17.893 1.00 42.31 C ATOM 0 H ILE A 69 -2.413 6.515 20.826 1.00 72.25 H new ATOM 0 HA ILE A 69 -3.205 4.036 19.856 1.00 61.35 H new ATOM 0 HB ILE A 69 -1.410 4.455 18.108 1.00 1.42 H new ATOM 0 HG12 ILE A 69 -0.909 6.901 19.840 1.00 62.11 H new ATOM 0 HG13 ILE A 69 0.211 5.581 19.570 1.00 62.11 H new ATOM 0 HG21 ILE A 69 -2.501 6.466 17.197 1.00 52.54 H new ATOM 0 HG22 ILE A 69 -3.689 5.313 17.851 1.00 52.54 H new ATOM 0 HG23 ILE A 69 -3.258 6.769 18.780 1.00 52.54 H new ATOM 0 HD11 ILE A 69 0.792 7.518 18.193 1.00 42.31 H new ATOM 0 HD12 ILE A 69 0.316 6.143 17.168 1.00 42.31 H new ATOM 0 HD13 ILE A 69 -0.822 7.484 17.442 1.00 42.31 H new ATOM 1052 N LYS A 70 -0.468 3.966 21.578 1.00 61.42 N ATOM 1053 CA LYS A 70 0.564 3.106 22.145 1.00 4.32 C ATOM 1054 C LYS A 70 -0.055 1.898 22.841 1.00 1.40 C ATOM 1055 O LYS A 70 0.328 0.758 22.581 1.00 0.13 O ATOM 1056 CB LYS A 70 1.424 3.894 23.136 1.00 25.33 C ATOM 1057 CG LYS A 70 2.813 4.217 22.613 1.00 24.04 C ATOM 1058 CD LYS A 70 3.777 3.064 22.840 1.00 51.10 C ATOM 1059 CE LYS A 70 4.986 3.159 21.922 1.00 53.32 C ATOM 1060 NZ LYS A 70 4.888 2.212 20.777 1.00 43.55 N ATOM 0 H LYS A 70 -0.542 4.883 22.019 1.00 61.42 H new ATOM 0 HA LYS A 70 1.193 2.749 21.330 1.00 4.32 H new ATOM 0 HB2 LYS A 70 0.914 4.824 23.387 1.00 25.33 H new ATOM 0 HB3 LYS A 70 1.516 3.322 24.059 1.00 25.33 H new ATOM 0 HG2 LYS A 70 2.758 4.442 21.548 1.00 24.04 H new ATOM 0 HG3 LYS A 70 3.191 5.111 23.109 1.00 24.04 H new ATOM 0 HD2 LYS A 70 4.107 3.063 23.879 1.00 51.10 H new ATOM 0 HD3 LYS A 70 3.262 2.119 22.669 1.00 51.10 H new ATOM 0 HE2 LYS A 70 5.076 4.177 21.544 1.00 53.32 H new ATOM 0 HE3 LYS A 70 5.892 2.949 22.491 1.00 53.32 H new ATOM 0 HZ1 LYS A 70 5.731 2.307 20.175 1.00 43.55 H new ATOM 0 HZ2 LYS A 70 4.827 1.238 21.136 1.00 43.55 H new ATOM 0 HZ3 LYS A 70 4.037 2.429 20.219 1.00 43.55 H new ATOM 1074 N GLN A 71 -1.014 2.157 23.724 1.00 1.31 N ATOM 1075 CA GLN A 71 -1.686 1.090 24.456 1.00 51.21 C ATOM 1076 C GLN A 71 -2.911 0.595 23.694 1.00 64.14 C ATOM 1077 O GLN A 71 -3.432 -0.485 23.972 1.00 53.10 O ATOM 1078 CB GLN A 71 -2.099 1.578 25.846 1.00 62.22 C ATOM 1079 CG GLN A 71 -1.006 1.430 26.892 1.00 45.23 C ATOM 1080 CD GLN A 71 -1.553 1.369 28.304 1.00 73.21 C ATOM 1081 OE1 GLN A 71 -1.784 2.399 28.938 1.00 74.12 O ATOM 1082 NE2 GLN A 71 -1.765 0.157 28.805 1.00 3.42 N ATOM 0 H GLN A 71 -1.343 3.096 23.950 1.00 1.31 H new ATOM 0 HA GLN A 71 -0.987 0.261 24.562 1.00 51.21 H new ATOM 0 HB2 GLN A 71 -2.390 2.627 25.782 1.00 62.22 H new ATOM 0 HB3 GLN A 71 -2.979 1.022 26.171 1.00 62.22 H new ATOM 0 HG2 GLN A 71 -0.434 0.525 26.689 1.00 45.23 H new ATOM 0 HG3 GLN A 71 -0.315 2.269 26.810 1.00 45.23 H new ATOM 0 HE21 GLN A 71 -1.559 -0.670 28.244 1.00 3.42 H new ATOM 0 HE22 GLN A 71 -2.133 0.053 29.750 1.00 3.42 H new ATOM 1091 N ARG A 72 -3.364 1.391 22.731 1.00 15.22 N ATOM 1092 CA ARG A 72 -4.529 1.034 21.930 1.00 42.22 C ATOM 1093 C ARG A 72 -4.137 0.105 20.785 1.00 24.30 C ATOM 1094 O ARG A 72 -4.580 -1.043 20.723 1.00 4.33 O ATOM 1095 CB ARG A 72 -5.197 2.293 21.373 1.00 64.21 C ATOM 1096 CG ARG A 72 -5.981 3.077 22.412 1.00 35.52 C ATOM 1097 CD ARG A 72 -6.497 4.391 21.847 1.00 60.43 C ATOM 1098 NE ARG A 72 -7.912 4.597 22.144 1.00 61.22 N ATOM 1099 CZ ARG A 72 -8.891 3.906 21.571 1.00 54.22 C ATOM 1100 NH1 ARG A 72 -8.611 2.969 20.675 1.00 3.55 N ATOM 1101 NH2 ARG A 72 -10.155 4.152 21.894 1.00 62.34 N ATOM 0 H ARG A 72 -2.942 2.287 22.487 1.00 15.22 H new ATOM 0 HA ARG A 72 -5.235 0.511 22.575 1.00 42.22 H new ATOM 0 HB2 ARG A 72 -4.432 2.940 20.943 1.00 64.21 H new ATOM 0 HB3 ARG A 72 -5.868 2.010 20.562 1.00 64.21 H new ATOM 0 HG2 ARG A 72 -6.820 2.477 22.765 1.00 35.52 H new ATOM 0 HG3 ARG A 72 -5.346 3.276 23.275 1.00 35.52 H new ATOM 0 HD2 ARG A 72 -5.916 5.216 22.260 1.00 60.43 H new ATOM 0 HD3 ARG A 72 -6.348 4.405 20.767 1.00 60.43 H new ATOM 0 HE ARG A 72 -8.162 5.310 22.829 1.00 61.22 H new ATOM 0 HH11 ARG A 72 -7.641 2.777 20.424 1.00 3.55 H new ATOM 0 HH12 ARG A 72 -9.365 2.440 20.237 1.00 3.55 H new ATOM 0 HH21 ARG A 72 -10.375 4.872 22.582 1.00 62.34 H new ATOM 0 HH22 ARG A 72 -10.906 3.621 21.454 1.00 62.34 H new ATOM 1115 N HIS A 73 -3.303 0.608 19.880 1.00 72.11 N ATOM 1116 CA HIS A 73 -2.851 -0.177 18.737 1.00 71.32 C ATOM 1117 C HIS A 73 -1.443 0.234 18.318 1.00 24.34 C ATOM 1118 O HIS A 73 -1.239 0.889 17.296 1.00 21.11 O ATOM 1119 CB HIS A 73 -3.815 -0.008 17.562 1.00 64.02 C ATOM 1120 CG HIS A 73 -4.690 1.202 17.674 1.00 1.05 C ATOM 1121 ND1 HIS A 73 -5.999 1.146 18.103 1.00 13.41 N ATOM 1122 CD2 HIS A 73 -4.436 2.506 17.413 1.00 32.31 C ATOM 1123 CE1 HIS A 73 -6.514 2.363 18.099 1.00 43.21 C ATOM 1124 NE2 HIS A 73 -5.585 3.207 17.685 1.00 75.54 N ATOM 0 H HIS A 73 -2.927 1.555 19.916 1.00 72.11 H new ATOM 0 HA HIS A 73 -2.831 -1.226 19.033 1.00 71.32 H new ATOM 0 HB2 HIS A 73 -3.241 0.054 16.638 1.00 64.02 H new ATOM 0 HB3 HIS A 73 -4.444 -0.895 17.488 1.00 64.02 H new ATOM 0 HD2 HIS A 73 -3.503 2.918 17.057 1.00 32.31 H new ATOM 0 HE1 HIS A 73 -7.522 2.624 18.385 1.00 43.21 H new ATOM 0 HE2 HIS A 73 -5.702 4.215 17.584 1.00 75.54 H new ATOM 1132 N PRO A 74 -0.446 -0.159 19.126 1.00 14.54 N ATOM 1133 CA PRO A 74 0.960 0.158 18.860 1.00 11.34 C ATOM 1134 C PRO A 74 1.507 -0.600 17.656 1.00 41.12 C ATOM 1135 O PRO A 74 2.656 -0.408 17.259 1.00 2.45 O ATOM 1136 CB PRO A 74 1.672 -0.286 20.140 1.00 31.35 C ATOM 1137 CG PRO A 74 0.790 -1.338 20.719 1.00 73.21 C ATOM 1138 CD PRO A 74 -0.616 -0.942 20.362 1.00 52.14 C ATOM 0 HA PRO A 74 1.102 1.212 18.621 1.00 11.34 H new ATOM 0 HB2 PRO A 74 2.666 -0.678 19.924 1.00 31.35 H new ATOM 0 HB3 PRO A 74 1.800 0.547 20.831 1.00 31.35 H new ATOM 0 HG2 PRO A 74 1.034 -2.319 20.312 1.00 73.21 H new ATOM 0 HG3 PRO A 74 0.915 -1.401 21.800 1.00 73.21 H new ATOM 0 HD2 PRO A 74 -1.251 -1.814 20.202 1.00 52.14 H new ATOM 0 HD3 PRO A 74 -1.080 -0.351 21.152 1.00 52.14 H new ATOM 1146 N MET A 75 0.677 -1.461 17.078 1.00 74.45 N ATOM 1147 CA MET A 75 1.078 -2.247 15.916 1.00 31.14 C ATOM 1148 C MET A 75 1.327 -1.347 14.710 1.00 14.14 C ATOM 1149 O MET A 75 1.919 -1.772 13.717 1.00 12.34 O ATOM 1150 CB MET A 75 0.005 -3.285 15.580 1.00 1.35 C ATOM 1151 CG MET A 75 0.509 -4.416 14.699 1.00 33.21 C ATOM 1152 SD MET A 75 -0.808 -5.189 13.740 1.00 14.32 S ATOM 1153 CE MET A 75 0.120 -6.401 12.805 1.00 64.23 C ATOM 0 H MET A 75 -0.277 -1.633 17.395 1.00 74.45 H new ATOM 0 HA MET A 75 2.007 -2.762 16.160 1.00 31.14 H new ATOM 0 HB2 MET A 75 -0.386 -3.704 16.507 1.00 1.35 H new ATOM 0 HB3 MET A 75 -0.826 -2.788 15.079 1.00 1.35 H new ATOM 0 HG2 MET A 75 1.270 -4.031 14.020 1.00 33.21 H new ATOM 0 HG3 MET A 75 0.990 -5.170 15.322 1.00 33.21 H new ATOM 0 HE1 MET A 75 -0.558 -6.962 12.162 1.00 64.23 H new ATOM 0 HE2 MET A 75 0.866 -5.895 12.192 1.00 64.23 H new ATOM 0 HE3 MET A 75 0.619 -7.086 13.491 1.00 64.23 H new ATOM 1163 N LEU A 76 0.871 -0.103 14.803 1.00 53.43 N ATOM 1164 CA LEU A 76 1.044 0.858 13.718 1.00 14.04 C ATOM 1165 C LEU A 76 2.198 1.810 14.013 1.00 2.14 C ATOM 1166 O LEU A 76 2.474 2.153 15.163 1.00 23.23 O ATOM 1167 CB LEU A 76 -0.246 1.653 13.504 1.00 22.33 C ATOM 1168 CG LEU A 76 -0.453 2.857 14.424 1.00 65.03 C ATOM 1169 CD1 LEU A 76 -0.309 4.155 13.644 1.00 62.31 C ATOM 1170 CD2 LEU A 76 -1.815 2.786 15.098 1.00 60.43 C ATOM 0 H LEU A 76 0.379 0.264 15.617 1.00 53.43 H new ATOM 0 HA LEU A 76 1.278 0.304 12.809 1.00 14.04 H new ATOM 0 HB2 LEU A 76 -0.267 2.002 12.472 1.00 22.33 H new ATOM 0 HB3 LEU A 76 -1.091 0.976 13.629 1.00 22.33 H new ATOM 0 HG LEU A 76 0.314 2.835 15.198 1.00 65.03 H new ATOM 0 HD11 LEU A 76 -0.459 5.001 14.315 1.00 62.31 H new ATOM 0 HD12 LEU A 76 0.689 4.209 13.209 1.00 62.31 H new ATOM 0 HD13 LEU A 76 -1.053 4.186 12.848 1.00 62.31 H new ATOM 0 HD21 LEU A 76 -1.944 3.651 15.749 1.00 60.43 H new ATOM 0 HD22 LEU A 76 -2.597 2.783 14.339 1.00 60.43 H new ATOM 0 HD23 LEU A 76 -1.881 1.873 15.690 1.00 60.43 H new ATOM 1182 N PRO A 77 2.889 2.250 12.951 1.00 13.21 N ATOM 1183 CA PRO A 77 4.023 3.171 13.071 1.00 51.35 C ATOM 1184 C PRO A 77 3.591 4.571 13.493 1.00 52.31 C ATOM 1185 O PRO A 77 2.445 4.969 13.280 1.00 23.02 O ATOM 1186 CB PRO A 77 4.610 3.196 11.657 1.00 53.41 C ATOM 1187 CG PRO A 77 3.469 2.840 10.767 1.00 4.10 C ATOM 1188 CD PRO A 77 2.615 1.883 11.552 1.00 42.14 C ATOM 0 HA PRO A 77 4.730 2.850 13.836 1.00 51.35 H new ATOM 0 HB2 PRO A 77 5.011 4.179 11.412 1.00 53.41 H new ATOM 0 HB3 PRO A 77 5.429 2.484 11.555 1.00 53.41 H new ATOM 0 HG2 PRO A 77 2.902 3.727 10.485 1.00 4.10 H new ATOM 0 HG3 PRO A 77 3.823 2.381 9.844 1.00 4.10 H new ATOM 0 HD2 PRO A 77 1.559 1.993 11.307 1.00 42.14 H new ATOM 0 HD3 PRO A 77 2.883 0.846 11.349 1.00 42.14 H new ATOM 1196 N VAL A 78 4.515 5.315 14.092 1.00 10.33 N ATOM 1197 CA VAL A 78 4.230 6.672 14.543 1.00 13.22 C ATOM 1198 C VAL A 78 5.468 7.556 14.443 1.00 13.31 C ATOM 1199 O VAL A 78 6.592 7.091 14.631 1.00 20.44 O ATOM 1200 CB VAL A 78 3.719 6.685 15.996 1.00 3.13 C ATOM 1201 CG1 VAL A 78 3.381 8.103 16.431 1.00 23.02 C ATOM 1202 CG2 VAL A 78 2.512 5.771 16.145 1.00 44.13 C ATOM 0 H VAL A 78 5.468 5.001 14.276 1.00 10.33 H new ATOM 0 HA VAL A 78 3.452 7.066 13.889 1.00 13.22 H new ATOM 0 HB VAL A 78 4.511 6.311 16.644 1.00 3.13 H new ATOM 0 HG11 VAL A 78 3.022 8.092 17.460 1.00 23.02 H new ATOM 0 HG12 VAL A 78 4.273 8.726 16.365 1.00 23.02 H new ATOM 0 HG13 VAL A 78 2.606 8.508 15.780 1.00 23.02 H new ATOM 0 HG21 VAL A 78 2.164 5.793 17.178 1.00 44.13 H new ATOM 0 HG22 VAL A 78 1.714 6.112 15.486 1.00 44.13 H new ATOM 0 HG23 VAL A 78 2.792 4.752 15.878 1.00 44.13 H new ATOM 1212 N ILE A 79 5.253 8.833 14.146 1.00 4.51 N ATOM 1213 CA ILE A 79 6.352 9.783 14.023 1.00 42.33 C ATOM 1214 C ILE A 79 6.107 11.021 14.878 1.00 2.45 C ATOM 1215 O ILE A 79 4.982 11.514 14.967 1.00 3.22 O ATOM 1216 CB ILE A 79 6.560 10.217 12.560 1.00 54.24 C ATOM 1217 CG1 ILE A 79 6.580 8.994 11.640 1.00 15.41 C ATOM 1218 CG2 ILE A 79 7.849 11.012 12.421 1.00 42.24 C ATOM 1219 CD1 ILE A 79 6.708 9.343 10.174 1.00 43.02 C ATOM 0 H ILE A 79 4.329 9.234 13.986 1.00 4.51 H new ATOM 0 HA ILE A 79 7.250 9.274 14.374 1.00 42.33 H new ATOM 0 HB ILE A 79 5.728 10.857 12.265 1.00 54.24 H new ATOM 0 HG12 ILE A 79 7.411 8.348 11.925 1.00 15.41 H new ATOM 0 HG13 ILE A 79 5.665 8.421 11.790 1.00 15.41 H new ATOM 0 HG21 ILE A 79 7.982 11.311 11.381 1.00 42.24 H new ATOM 0 HG22 ILE A 79 7.798 11.900 13.051 1.00 42.24 H new ATOM 0 HG23 ILE A 79 8.692 10.395 12.731 1.00 42.24 H new ATOM 0 HD11 ILE A 79 6.716 8.428 9.582 1.00 43.02 H new ATOM 0 HD12 ILE A 79 5.864 9.963 9.873 1.00 43.02 H new ATOM 0 HD13 ILE A 79 7.637 9.889 10.010 1.00 43.02 H new ATOM 1231 N ILE A 80 7.168 11.520 15.505 1.00 74.00 N ATOM 1232 CA ILE A 80 7.068 12.703 16.351 1.00 21.43 C ATOM 1233 C ILE A 80 7.390 13.969 15.566 1.00 53.43 C ATOM 1234 O ILE A 80 8.437 14.066 14.927 1.00 51.35 O ATOM 1235 CB ILE A 80 8.014 12.609 17.563 1.00 45.13 C ATOM 1236 CG1 ILE A 80 7.900 11.233 18.222 1.00 14.33 C ATOM 1237 CG2 ILE A 80 7.703 13.711 18.565 1.00 74.33 C ATOM 1238 CD1 ILE A 80 6.494 10.891 18.666 1.00 44.23 C ATOM 0 H ILE A 80 8.106 11.124 15.443 1.00 74.00 H new ATOM 0 HA ILE A 80 6.039 12.751 16.706 1.00 21.43 H new ATOM 0 HB ILE A 80 9.039 12.740 17.216 1.00 45.13 H new ATOM 0 HG12 ILE A 80 8.246 10.473 17.521 1.00 14.33 H new ATOM 0 HG13 ILE A 80 8.564 11.196 19.085 1.00 14.33 H new ATOM 0 HG21 ILE A 80 8.380 13.631 19.416 1.00 74.33 H new ATOM 0 HG22 ILE A 80 7.832 14.683 18.089 1.00 74.33 H new ATOM 0 HG23 ILE A 80 6.674 13.610 18.910 1.00 74.33 H new ATOM 0 HD11 ILE A 80 6.488 9.902 19.124 1.00 44.23 H new ATOM 0 HD12 ILE A 80 6.152 11.629 19.391 1.00 44.23 H new ATOM 0 HD13 ILE A 80 5.829 10.895 17.803 1.00 44.23 H new ATOM 1250 N MET A 81 6.482 14.939 15.620 1.00 64.13 N ATOM 1251 CA MET A 81 6.671 16.202 14.915 1.00 22.14 C ATOM 1252 C MET A 81 6.409 17.385 15.841 1.00 10.34 C ATOM 1253 O MET A 81 5.327 17.510 16.416 1.00 52.11 O ATOM 1254 CB MET A 81 5.745 16.276 13.700 1.00 64.33 C ATOM 1255 CG MET A 81 5.599 17.678 13.132 1.00 54.11 C ATOM 1256 SD MET A 81 4.916 17.684 11.463 1.00 65.22 S ATOM 1257 CE MET A 81 3.182 17.397 11.805 1.00 71.01 C ATOM 0 H MET A 81 5.609 14.875 16.144 1.00 64.13 H new ATOM 0 HA MET A 81 7.706 16.250 14.577 1.00 22.14 H new ATOM 0 HB2 MET A 81 6.127 15.615 12.922 1.00 64.33 H new ATOM 0 HB3 MET A 81 4.760 15.902 13.981 1.00 64.33 H new ATOM 0 HG2 MET A 81 4.955 18.265 13.786 1.00 54.11 H new ATOM 0 HG3 MET A 81 6.574 18.166 13.123 1.00 54.11 H new ATOM 0 HE1 MET A 81 2.764 16.742 11.040 1.00 71.01 H new ATOM 0 HE2 MET A 81 3.077 16.926 12.783 1.00 71.01 H new ATOM 0 HE3 MET A 81 2.648 18.347 11.801 1.00 71.01 H new ATOM 1267 N THR A 82 7.406 18.253 15.983 1.00 64.11 N ATOM 1268 CA THR A 82 7.284 19.425 16.840 1.00 11.11 C ATOM 1269 C THR A 82 8.530 20.299 16.758 1.00 24.22 C ATOM 1270 O THR A 82 9.408 20.068 15.927 1.00 23.34 O ATOM 1271 CB THR A 82 7.047 19.025 18.309 1.00 71.14 C ATOM 1272 OG1 THR A 82 6.596 20.158 19.059 1.00 41.44 O ATOM 1273 CG2 THR A 82 8.320 18.472 18.931 1.00 2.41 C ATOM 0 H THR A 82 8.308 18.166 15.515 1.00 64.11 H new ATOM 0 HA THR A 82 6.423 19.990 16.481 1.00 11.11 H new ATOM 0 HB THR A 82 6.283 18.248 18.332 1.00 71.14 H new ATOM 0 HG1 THR A 82 7.134 20.246 19.874 1.00 41.44 H new ATOM 0 HG21 THR A 82 8.128 18.196 19.968 1.00 2.41 H new ATOM 0 HG22 THR A 82 8.644 17.592 18.376 1.00 2.41 H new ATOM 0 HG23 THR A 82 9.102 19.231 18.896 1.00 2.41 H new ATOM 1281 N ALA A 83 8.602 21.303 17.626 1.00 33.21 N ATOM 1282 CA ALA A 83 9.743 22.209 17.653 1.00 13.53 C ATOM 1283 C ALA A 83 10.625 21.945 18.869 1.00 52.43 C ATOM 1284 O ALA A 83 10.468 20.934 19.554 1.00 4.42 O ATOM 1285 CB ALA A 83 9.268 23.655 17.647 1.00 3.11 C ATOM 0 H ALA A 83 7.883 21.509 18.320 1.00 33.21 H new ATOM 0 HA ALA A 83 10.340 22.030 16.759 1.00 13.53 H new ATOM 0 HB1 ALA A 83 10.130 24.321 17.667 1.00 3.11 H new ATOM 0 HB2 ALA A 83 8.685 23.843 16.745 1.00 3.11 H new ATOM 0 HB3 ALA A 83 8.647 23.838 18.524 1.00 3.11 H new ATOM 1291 N HIS A 84 11.553 22.860 19.131 1.00 41.25 N ATOM 1292 CA HIS A 84 12.461 22.726 20.264 1.00 31.42 C ATOM 1293 C HIS A 84 11.689 22.432 21.547 1.00 55.31 C ATOM 1294 O HIS A 84 12.196 21.767 22.450 1.00 12.41 O ATOM 1295 CB HIS A 84 13.290 23.999 20.434 1.00 24.44 C ATOM 1296 CG HIS A 84 12.498 25.167 20.934 1.00 3.32 C ATOM 1297 ND1 HIS A 84 12.796 25.833 22.104 1.00 0.15 N ATOM 1298 CD2 HIS A 84 11.414 25.790 20.414 1.00 25.44 C ATOM 1299 CE1 HIS A 84 11.929 26.813 22.284 1.00 54.33 C ATOM 1300 NE2 HIS A 84 11.080 26.809 21.272 1.00 72.23 N ATOM 0 H HIS A 84 11.696 23.702 18.574 1.00 41.25 H new ATOM 0 HA HIS A 84 13.131 21.890 20.064 1.00 31.42 H new ATOM 0 HB2 HIS A 84 14.107 23.801 21.128 1.00 24.44 H new ATOM 0 HB3 HIS A 84 13.741 24.260 19.477 1.00 24.44 H new ATOM 0 HD2 HIS A 84 10.907 25.533 19.496 1.00 25.44 H new ATOM 0 HE1 HIS A 84 11.916 27.501 23.117 1.00 54.33 H new ATOM 0 HE2 HIS A 84 10.303 27.458 21.148 1.00 72.23 H new ATOM 1308 N SER A 85 10.460 22.933 21.620 1.00 55.34 N ATOM 1309 CA SER A 85 9.619 22.729 22.793 1.00 31.25 C ATOM 1310 C SER A 85 9.229 21.261 22.933 1.00 35.40 C ATOM 1311 O SER A 85 8.782 20.632 21.974 1.00 73.25 O ATOM 1312 CB SER A 85 8.362 23.596 22.704 1.00 11.31 C ATOM 1313 OG SER A 85 8.272 24.479 23.809 1.00 34.33 O ATOM 0 H SER A 85 10.025 23.483 20.880 1.00 55.34 H new ATOM 0 HA SER A 85 10.191 23.021 23.674 1.00 31.25 H new ATOM 0 HB2 SER A 85 8.377 24.169 21.777 1.00 11.31 H new ATOM 0 HB3 SER A 85 7.478 22.959 22.671 1.00 11.31 H new ATOM 0 HG SER A 85 7.461 25.023 23.728 1.00 34.33 H new ATOM 1319 N ASP A 86 9.401 20.721 24.135 1.00 73.04 N ATOM 1320 CA ASP A 86 9.066 19.327 24.402 1.00 51.01 C ATOM 1321 C ASP A 86 9.905 18.391 23.538 1.00 42.24 C ATOM 1322 O ASP A 86 9.560 17.224 23.352 1.00 72.42 O ATOM 1323 CB ASP A 86 7.578 19.080 24.147 1.00 23.31 C ATOM 1324 CG ASP A 86 6.749 19.182 25.412 1.00 3.23 C ATOM 1325 OD1 ASP A 86 6.926 20.167 26.159 1.00 43.21 O ATOM 1326 OD2 ASP A 86 5.924 18.277 25.656 1.00 21.24 O ATOM 0 H ASP A 86 9.770 21.227 24.940 1.00 73.04 H new ATOM 0 HA ASP A 86 9.287 19.120 25.449 1.00 51.01 H new ATOM 0 HB2 ASP A 86 7.213 19.803 23.417 1.00 23.31 H new ATOM 0 HB3 ASP A 86 7.447 18.091 23.709 1.00 23.31 H new ATOM 1331 N LEU A 87 11.008 18.911 23.011 1.00 42.34 N ATOM 1332 CA LEU A 87 11.897 18.123 22.164 1.00 22.34 C ATOM 1333 C LEU A 87 12.460 16.929 22.929 1.00 2.23 C ATOM 1334 O LEU A 87 12.920 15.957 22.331 1.00 61.41 O ATOM 1335 CB LEU A 87 13.041 18.994 21.642 1.00 71.55 C ATOM 1336 CG LEU A 87 14.243 18.246 21.063 1.00 40.20 C ATOM 1337 CD1 LEU A 87 13.828 17.422 19.854 1.00 32.34 C ATOM 1338 CD2 LEU A 87 15.349 19.223 20.690 1.00 21.33 C ATOM 0 H LEU A 87 11.308 19.875 23.155 1.00 42.34 H new ATOM 0 HA LEU A 87 11.318 17.750 21.319 1.00 22.34 H new ATOM 0 HB2 LEU A 87 12.645 19.656 20.872 1.00 71.55 H new ATOM 0 HB3 LEU A 87 13.391 19.627 22.458 1.00 71.55 H new ATOM 0 HG LEU A 87 14.626 17.567 21.825 1.00 40.20 H new ATOM 0 HD11 LEU A 87 14.696 16.897 19.456 1.00 32.34 H new ATOM 0 HD12 LEU A 87 13.070 16.697 20.151 1.00 32.34 H new ATOM 0 HD13 LEU A 87 13.419 18.081 19.088 1.00 32.34 H new ATOM 0 HD21 LEU A 87 16.196 18.674 20.280 1.00 21.33 H new ATOM 0 HD22 LEU A 87 14.977 19.926 19.945 1.00 21.33 H new ATOM 0 HD23 LEU A 87 15.666 19.770 21.578 1.00 21.33 H new ATOM 1350 N ASP A 88 12.419 17.010 24.255 1.00 72.24 N ATOM 1351 CA ASP A 88 12.922 15.935 25.102 1.00 32.21 C ATOM 1352 C ASP A 88 12.266 14.606 24.741 1.00 70.34 C ATOM 1353 O ASP A 88 12.891 13.549 24.830 1.00 51.42 O ATOM 1354 CB ASP A 88 12.670 16.258 26.576 1.00 71.13 C ATOM 1355 CG ASP A 88 13.957 16.414 27.362 1.00 35.54 C ATOM 1356 OD1 ASP A 88 14.960 16.869 26.775 1.00 41.41 O ATOM 1357 OD2 ASP A 88 13.960 16.080 28.566 1.00 54.33 O ATOM 0 H ASP A 88 12.043 17.809 24.766 1.00 72.24 H new ATOM 0 HA ASP A 88 13.996 15.847 24.935 1.00 32.21 H new ATOM 0 HB2 ASP A 88 12.089 17.177 26.649 1.00 71.13 H new ATOM 0 HB3 ASP A 88 12.069 15.465 27.021 1.00 71.13 H new ATOM 1362 N ALA A 89 11.002 14.667 24.333 1.00 23.35 N ATOM 1363 CA ALA A 89 10.262 13.469 23.958 1.00 62.52 C ATOM 1364 C ALA A 89 10.911 12.774 22.765 1.00 14.11 C ATOM 1365 O ALA A 89 10.718 11.578 22.551 1.00 34.32 O ATOM 1366 CB ALA A 89 8.815 13.819 23.644 1.00 20.35 C ATOM 0 H ALA A 89 10.470 15.534 24.254 1.00 23.35 H new ATOM 0 HA ALA A 89 10.283 12.780 24.802 1.00 62.52 H new ATOM 0 HB1 ALA A 89 8.274 12.915 23.365 1.00 20.35 H new ATOM 0 HB2 ALA A 89 8.349 14.264 24.523 1.00 20.35 H new ATOM 0 HB3 ALA A 89 8.784 14.530 22.818 1.00 20.35 H new ATOM 1372 N ALA A 90 11.679 13.533 21.991 1.00 65.32 N ATOM 1373 CA ALA A 90 12.357 12.989 20.820 1.00 2.33 C ATOM 1374 C ALA A 90 13.228 11.795 21.195 1.00 33.32 C ATOM 1375 O ALA A 90 13.437 10.889 20.388 1.00 32.45 O ATOM 1376 CB ALA A 90 13.197 14.066 20.149 1.00 15.40 C ATOM 0 H ALA A 90 11.848 14.526 22.153 1.00 65.32 H new ATOM 0 HA ALA A 90 11.597 12.645 20.118 1.00 2.33 H new ATOM 0 HB1 ALA A 90 13.697 13.646 19.276 1.00 15.40 H new ATOM 0 HB2 ALA A 90 12.553 14.888 19.837 1.00 15.40 H new ATOM 0 HB3 ALA A 90 13.943 14.436 20.852 1.00 15.40 H new ATOM 1382 N VAL A 91 13.734 11.800 22.424 1.00 32.34 N ATOM 1383 CA VAL A 91 14.582 10.716 22.906 1.00 32.13 C ATOM 1384 C VAL A 91 13.745 9.550 23.421 1.00 54.34 C ATOM 1385 O VAL A 91 13.893 8.417 22.964 1.00 73.14 O ATOM 1386 CB VAL A 91 15.520 11.195 24.030 1.00 62.21 C ATOM 1387 CG1 VAL A 91 16.539 10.118 24.370 1.00 31.34 C ATOM 1388 CG2 VAL A 91 16.213 12.488 23.629 1.00 3.35 C ATOM 0 H VAL A 91 13.571 12.543 23.104 1.00 32.34 H new ATOM 0 HA VAL A 91 15.182 10.383 22.059 1.00 32.13 H new ATOM 0 HB VAL A 91 14.922 11.390 24.920 1.00 62.21 H new ATOM 0 HG11 VAL A 91 17.193 10.474 25.166 1.00 31.34 H new ATOM 0 HG12 VAL A 91 16.021 9.218 24.702 1.00 31.34 H new ATOM 0 HG13 VAL A 91 17.135 9.889 23.486 1.00 31.34 H new ATOM 0 HG21 VAL A 91 16.872 12.813 24.434 1.00 3.35 H new ATOM 0 HG22 VAL A 91 16.799 12.321 22.725 1.00 3.35 H new ATOM 0 HG23 VAL A 91 15.465 13.258 23.440 1.00 3.35 H new ATOM 1398 N SER A 92 12.864 9.837 24.374 1.00 31.31 N ATOM 1399 CA SER A 92 12.004 8.811 24.954 1.00 43.33 C ATOM 1400 C SER A 92 11.268 8.040 23.863 1.00 73.40 C ATOM 1401 O SER A 92 11.087 6.826 23.960 1.00 41.21 O ATOM 1402 CB SER A 92 10.997 9.444 25.915 1.00 12.24 C ATOM 1403 OG SER A 92 11.499 9.462 27.241 1.00 55.34 O ATOM 0 H SER A 92 12.727 10.771 24.761 1.00 31.31 H new ATOM 0 HA SER A 92 12.633 8.113 25.507 1.00 43.33 H new ATOM 0 HB2 SER A 92 10.773 10.461 25.594 1.00 12.24 H new ATOM 0 HB3 SER A 92 10.061 8.887 25.885 1.00 12.24 H new ATOM 0 HG SER A 92 10.837 9.873 27.836 1.00 55.34 H new ATOM 1409 N ALA A 93 10.845 8.754 22.825 1.00 74.51 N ATOM 1410 CA ALA A 93 10.130 8.137 21.714 1.00 15.04 C ATOM 1411 C ALA A 93 10.897 6.940 21.164 1.00 20.43 C ATOM 1412 O ALA A 93 10.319 5.882 20.914 1.00 63.44 O ATOM 1413 CB ALA A 93 9.882 9.158 20.614 1.00 11.31 C ATOM 0 H ALA A 93 10.985 9.760 22.730 1.00 74.51 H new ATOM 0 HA ALA A 93 9.170 7.780 22.086 1.00 15.04 H new ATOM 0 HB1 ALA A 93 9.347 8.684 19.791 1.00 11.31 H new ATOM 0 HB2 ALA A 93 9.285 9.980 21.009 1.00 11.31 H new ATOM 0 HB3 ALA A 93 10.836 9.543 20.253 1.00 11.31 H new ATOM 1419 N TYR A 94 12.201 7.113 20.978 1.00 13.43 N ATOM 1420 CA TYR A 94 13.047 6.048 20.455 1.00 72.44 C ATOM 1421 C TYR A 94 13.013 4.826 21.368 1.00 14.32 C ATOM 1422 O TYR A 94 12.957 3.690 20.900 1.00 74.40 O ATOM 1423 CB TYR A 94 14.486 6.541 20.298 1.00 61.01 C ATOM 1424 CG TYR A 94 14.675 7.499 19.144 1.00 45.23 C ATOM 1425 CD1 TYR A 94 14.113 7.240 17.900 1.00 14.22 C ATOM 1426 CD2 TYR A 94 15.417 8.664 19.297 1.00 13.53 C ATOM 1427 CE1 TYR A 94 14.284 8.113 16.843 1.00 72.40 C ATOM 1428 CE2 TYR A 94 15.592 9.543 18.246 1.00 51.40 C ATOM 1429 CZ TYR A 94 15.024 9.263 17.021 1.00 70.22 C ATOM 1430 OH TYR A 94 15.196 10.135 15.970 1.00 14.14 O ATOM 0 H TYR A 94 12.695 7.982 21.182 1.00 13.43 H new ATOM 0 HA TYR A 94 12.660 5.759 19.478 1.00 72.44 H new ATOM 0 HB2 TYR A 94 14.796 7.031 21.221 1.00 61.01 H new ATOM 0 HB3 TYR A 94 15.142 5.682 20.157 1.00 61.01 H new ATOM 0 HD1 TYR A 94 13.532 6.341 17.757 1.00 14.22 H new ATOM 0 HD2 TYR A 94 15.865 8.886 20.254 1.00 13.53 H new ATOM 0 HE1 TYR A 94 13.841 7.896 15.882 1.00 72.40 H new ATOM 0 HE2 TYR A 94 16.171 10.445 18.383 1.00 51.40 H new ATOM 0 HH TYR A 94 15.741 10.895 16.262 1.00 14.14 H new ATOM 1440 N GLN A 95 13.046 5.071 22.674 1.00 0.21 N ATOM 1441 CA GLN A 95 13.019 3.992 23.654 1.00 30.02 C ATOM 1442 C GLN A 95 11.706 3.220 23.578 1.00 14.41 C ATOM 1443 O GLN A 95 11.642 2.048 23.947 1.00 63.15 O ATOM 1444 CB GLN A 95 13.215 4.551 25.065 1.00 60.53 C ATOM 1445 CG GLN A 95 14.590 5.156 25.294 1.00 65.04 C ATOM 1446 CD GLN A 95 14.917 5.324 26.764 1.00 31.24 C ATOM 1447 OE1 GLN A 95 14.186 4.847 27.633 1.00 73.22 O ATOM 1448 NE2 GLN A 95 16.020 6.005 27.052 1.00 20.44 N ATOM 0 H GLN A 95 13.091 6.007 23.078 1.00 0.21 H new ATOM 0 HA GLN A 95 13.836 3.307 23.425 1.00 30.02 H new ATOM 0 HB2 GLN A 95 12.457 5.311 25.254 1.00 60.53 H new ATOM 0 HB3 GLN A 95 13.054 3.752 25.789 1.00 60.53 H new ATOM 0 HG2 GLN A 95 15.344 4.521 24.828 1.00 65.04 H new ATOM 0 HG3 GLN A 95 14.642 6.127 24.801 1.00 65.04 H new ATOM 0 HE21 GLN A 95 16.597 6.383 26.300 1.00 20.44 H new ATOM 0 HE22 GLN A 95 16.290 6.150 28.025 1.00 20.44 H new ATOM 1457 N GLN A 96 10.660 3.887 23.098 1.00 25.33 N ATOM 1458 CA GLN A 96 9.348 3.263 22.975 1.00 24.34 C ATOM 1459 C GLN A 96 9.199 2.570 21.625 1.00 43.22 C ATOM 1460 O GLN A 96 8.344 1.703 21.452 1.00 61.04 O ATOM 1461 CB GLN A 96 8.245 4.308 23.151 1.00 70.44 C ATOM 1462 CG GLN A 96 7.481 4.173 24.458 1.00 23.50 C ATOM 1463 CD GLN A 96 6.676 5.412 24.794 1.00 33.00 C ATOM 1464 OE1 GLN A 96 5.450 5.419 24.680 1.00 14.42 O ATOM 1465 NE2 GLN A 96 7.362 6.469 25.211 1.00 1.42 N ATOM 0 H GLN A 96 10.696 4.858 22.788 1.00 25.33 H new ATOM 0 HA GLN A 96 9.255 2.512 23.760 1.00 24.34 H new ATOM 0 HB2 GLN A 96 8.687 5.303 23.100 1.00 70.44 H new ATOM 0 HB3 GLN A 96 7.544 4.227 22.320 1.00 70.44 H new ATOM 0 HG2 GLN A 96 6.811 3.315 24.396 1.00 23.50 H new ATOM 0 HG3 GLN A 96 8.184 3.971 25.266 1.00 23.50 H new ATOM 0 HE21 GLN A 96 8.378 6.419 25.291 1.00 1.42 H new ATOM 0 HE22 GLN A 96 6.874 7.331 25.452 1.00 1.42 H new ATOM 1474 N GLY A 97 10.038 2.960 20.669 1.00 21.14 N ATOM 1475 CA GLY A 97 9.983 2.367 19.346 1.00 34.52 C ATOM 1476 C GLY A 97 9.630 3.376 18.272 1.00 15.43 C ATOM 1477 O GLY A 97 9.011 3.032 17.266 1.00 34.41 O ATOM 0 H GLY A 97 10.755 3.676 20.788 1.00 21.14 H new ATOM 0 HA2 GLY A 97 10.948 1.916 19.113 1.00 34.52 H new ATOM 0 HA3 GLY A 97 9.246 1.564 19.342 1.00 34.52 H new ATOM 1481 N ALA A 98 10.022 4.628 18.487 1.00 64.32 N ATOM 1482 CA ALA A 98 9.744 5.691 17.529 1.00 31.41 C ATOM 1483 C ALA A 98 10.302 5.349 16.152 1.00 73.53 C ATOM 1484 O ALA A 98 11.157 4.473 16.017 1.00 1.31 O ATOM 1485 CB ALA A 98 10.321 7.009 18.022 1.00 41.43 C ATOM 0 H ALA A 98 10.533 4.931 19.316 1.00 64.32 H new ATOM 0 HA ALA A 98 8.662 5.791 17.439 1.00 31.41 H new ATOM 0 HB1 ALA A 98 10.106 7.794 17.297 1.00 41.43 H new ATOM 0 HB2 ALA A 98 9.871 7.267 18.981 1.00 41.43 H new ATOM 0 HB3 ALA A 98 11.400 6.912 18.142 1.00 41.43 H new ATOM 1491 N PHE A 99 9.811 6.044 15.131 1.00 64.54 N ATOM 1492 CA PHE A 99 10.260 5.812 13.763 1.00 60.25 C ATOM 1493 C PHE A 99 11.258 6.882 13.329 1.00 73.33 C ATOM 1494 O PHE A 99 12.288 6.578 12.728 1.00 25.41 O ATOM 1495 CB PHE A 99 9.065 5.796 12.807 1.00 31.53 C ATOM 1496 CG PHE A 99 9.382 5.213 11.460 1.00 64.02 C ATOM 1497 CD1 PHE A 99 9.400 3.840 11.271 1.00 43.55 C ATOM 1498 CD2 PHE A 99 9.662 6.038 10.382 1.00 24.33 C ATOM 1499 CE1 PHE A 99 9.693 3.302 10.032 1.00 60.12 C ATOM 1500 CE2 PHE A 99 9.955 5.505 9.141 1.00 64.11 C ATOM 1501 CZ PHE A 99 9.970 4.135 8.965 1.00 13.14 C ATOM 0 H PHE A 99 9.103 6.772 15.225 1.00 64.54 H new ATOM 0 HA PHE A 99 10.756 4.842 13.730 1.00 60.25 H new ATOM 0 HB2 PHE A 99 8.255 5.224 13.260 1.00 31.53 H new ATOM 0 HB3 PHE A 99 8.701 6.815 12.676 1.00 31.53 H new ATOM 0 HD1 PHE A 99 9.183 3.184 12.101 1.00 43.55 H new ATOM 0 HD2 PHE A 99 9.651 7.110 10.513 1.00 24.33 H new ATOM 0 HE1 PHE A 99 9.705 2.230 9.898 1.00 60.12 H new ATOM 0 HE2 PHE A 99 10.172 6.159 8.309 1.00 64.11 H new ATOM 0 HZ PHE A 99 10.198 3.716 7.996 1.00 13.14 H new ATOM 1511 N ASP A 100 10.943 8.135 13.637 1.00 40.02 N ATOM 1512 CA ASP A 100 11.811 9.251 13.280 1.00 41.11 C ATOM 1513 C ASP A 100 11.226 10.572 13.769 1.00 40.54 C ATOM 1514 O ASP A 100 10.124 10.610 14.317 1.00 41.23 O ATOM 1515 CB ASP A 100 12.018 9.300 11.765 1.00 30.02 C ATOM 1516 CG ASP A 100 13.469 9.100 11.372 1.00 35.03 C ATOM 1517 OD1 ASP A 100 14.206 10.105 11.297 1.00 23.52 O ATOM 1518 OD2 ASP A 100 13.866 7.939 11.139 1.00 12.01 O ATOM 0 H ASP A 100 10.093 8.404 14.133 1.00 40.02 H new ATOM 0 HA ASP A 100 12.775 9.099 13.766 1.00 41.11 H new ATOM 0 HB2 ASP A 100 11.407 8.530 11.293 1.00 30.02 H new ATOM 0 HB3 ASP A 100 11.671 10.261 11.385 1.00 30.02 H new ATOM 1523 N TYR A 101 11.971 11.654 13.568 1.00 60.34 N ATOM 1524 CA TYR A 101 11.528 12.977 13.991 1.00 71.31 C ATOM 1525 C TYR A 101 11.318 13.891 12.788 1.00 15.52 C ATOM 1526 O TYR A 101 12.276 14.321 12.144 1.00 32.13 O ATOM 1527 CB TYR A 101 12.549 13.598 14.946 1.00 74.01 C ATOM 1528 CG TYR A 101 12.070 14.877 15.594 1.00 4.45 C ATOM 1529 CD1 TYR A 101 10.857 14.926 16.269 1.00 35.41 C ATOM 1530 CD2 TYR A 101 12.832 16.038 15.532 1.00 35.00 C ATOM 1531 CE1 TYR A 101 10.415 16.092 16.863 1.00 41.44 C ATOM 1532 CE2 TYR A 101 12.399 17.209 16.124 1.00 72.31 C ATOM 1533 CZ TYR A 101 11.190 17.231 16.788 1.00 51.13 C ATOM 1534 OH TYR A 101 10.755 18.396 17.377 1.00 34.33 O ATOM 0 H TYR A 101 12.885 11.640 13.115 1.00 60.34 H new ATOM 0 HA TYR A 101 10.576 12.865 14.510 1.00 71.31 H new ATOM 0 HB2 TYR A 101 12.793 12.875 15.724 1.00 74.01 H new ATOM 0 HB3 TYR A 101 13.470 13.800 14.399 1.00 74.01 H new ATOM 0 HD1 TYR A 101 10.248 14.036 16.330 1.00 35.41 H new ATOM 0 HD2 TYR A 101 13.779 16.024 15.012 1.00 35.00 H new ATOM 0 HE1 TYR A 101 9.469 16.112 17.383 1.00 41.44 H new ATOM 0 HE2 TYR A 101 13.004 18.102 16.067 1.00 72.31 H new ATOM 0 HH TYR A 101 10.617 19.079 16.688 1.00 34.33 H new ATOM 1544 N LEU A 102 10.057 14.186 12.491 1.00 12.32 N ATOM 1545 CA LEU A 102 9.718 15.051 11.366 1.00 11.13 C ATOM 1546 C LEU A 102 9.118 16.367 11.852 1.00 23.21 C ATOM 1547 O LEU A 102 7.908 16.585 11.793 1.00 41.33 O ATOM 1548 CB LEU A 102 8.735 14.344 10.432 1.00 72.22 C ATOM 1549 CG LEU A 102 8.566 14.962 9.043 1.00 33.53 C ATOM 1550 CD1 LEU A 102 9.778 14.663 8.175 1.00 71.31 C ATOM 1551 CD2 LEU A 102 7.295 14.449 8.383 1.00 75.54 C ATOM 0 H LEU A 102 9.253 13.839 13.013 1.00 12.32 H new ATOM 0 HA LEU A 102 10.635 15.271 10.820 1.00 11.13 H new ATOM 0 HB2 LEU A 102 9.059 13.310 10.311 1.00 72.22 H new ATOM 0 HB3 LEU A 102 7.759 14.317 10.917 1.00 72.22 H new ATOM 0 HG LEU A 102 8.483 16.043 9.154 1.00 33.53 H new ATOM 0 HD11 LEU A 102 9.640 15.110 7.191 1.00 71.31 H new ATOM 0 HD12 LEU A 102 10.671 15.080 8.641 1.00 71.31 H new ATOM 0 HD13 LEU A 102 9.893 13.584 8.070 1.00 71.31 H new ATOM 0 HD21 LEU A 102 7.191 14.899 7.396 1.00 75.54 H new ATOM 0 HD22 LEU A 102 7.349 13.365 8.284 1.00 75.54 H new ATOM 0 HD23 LEU A 102 6.434 14.715 8.996 1.00 75.54 H new ATOM 1563 N PRO A 103 9.984 17.266 12.343 1.00 52.42 N ATOM 1564 CA PRO A 103 9.563 18.577 12.846 1.00 51.32 C ATOM 1565 C PRO A 103 9.085 19.500 11.730 1.00 41.30 C ATOM 1566 O PRO A 103 9.468 19.340 10.571 1.00 43.41 O ATOM 1567 CB PRO A 103 10.834 19.134 13.493 1.00 73.23 C ATOM 1568 CG PRO A 103 11.951 18.445 12.787 1.00 14.22 C ATOM 1569 CD PRO A 103 11.440 17.073 12.444 1.00 42.11 C ATOM 0 HA PRO A 103 8.719 18.499 13.531 1.00 51.32 H new ATOM 0 HB2 PRO A 103 10.898 20.216 13.374 1.00 73.23 H new ATOM 0 HB3 PRO A 103 10.856 18.929 14.563 1.00 73.23 H new ATOM 0 HG2 PRO A 103 12.240 18.990 11.888 1.00 14.22 H new ATOM 0 HG3 PRO A 103 12.835 18.385 13.421 1.00 14.22 H new ATOM 0 HD2 PRO A 103 11.863 16.709 11.508 1.00 42.11 H new ATOM 0 HD3 PRO A 103 11.696 16.345 13.214 1.00 42.11 H new ATOM 1577 N LYS A 104 8.246 20.467 12.087 1.00 43.04 N ATOM 1578 CA LYS A 104 7.717 21.418 11.116 1.00 32.31 C ATOM 1579 C LYS A 104 8.235 22.825 11.395 1.00 52.12 C ATOM 1580 O LYS A 104 8.647 23.152 12.508 1.00 32.21 O ATOM 1581 CB LYS A 104 6.187 21.411 11.147 1.00 73.41 C ATOM 1582 CG LYS A 104 5.607 21.264 12.543 1.00 1.02 C ATOM 1583 CD LYS A 104 4.355 22.106 12.718 1.00 13.43 C ATOM 1584 CE LYS A 104 3.898 22.131 14.169 1.00 41.30 C ATOM 1585 NZ LYS A 104 3.338 23.457 14.551 1.00 0.05 N ATOM 0 H LYS A 104 7.918 20.613 13.042 1.00 43.04 H new ATOM 0 HA LYS A 104 8.056 21.115 10.125 1.00 32.31 H new ATOM 0 HB2 LYS A 104 5.819 22.337 10.706 1.00 73.41 H new ATOM 0 HB3 LYS A 104 5.823 20.594 10.524 1.00 73.41 H new ATOM 0 HG2 LYS A 104 5.371 20.217 12.732 1.00 1.02 H new ATOM 0 HG3 LYS A 104 6.352 21.561 13.281 1.00 1.02 H new ATOM 0 HD2 LYS A 104 4.549 23.124 12.379 1.00 13.43 H new ATOM 0 HD3 LYS A 104 3.557 21.708 12.091 1.00 13.43 H new ATOM 0 HE2 LYS A 104 3.144 21.360 14.326 1.00 41.30 H new ATOM 0 HE3 LYS A 104 4.739 21.891 14.819 1.00 41.30 H new ATOM 0 HZ1 LYS A 104 3.841 23.819 15.386 1.00 0.05 H new ATOM 0 HZ2 LYS A 104 3.454 24.123 13.761 1.00 0.05 H new ATOM 0 HZ3 LYS A 104 2.327 23.356 14.773 1.00 0.05 H new ATOM 1599 N PRO A 105 8.213 23.680 10.361 1.00 22.04 N ATOM 1600 CA PRO A 105 7.726 23.302 9.032 1.00 54.24 C ATOM 1601 C PRO A 105 8.659 22.323 8.329 1.00 61.25 C ATOM 1602 O PRO A 105 9.859 22.287 8.603 1.00 12.11 O ATOM 1603 CB PRO A 105 7.682 24.634 8.278 1.00 1.03 C ATOM 1604 CG PRO A 105 8.689 25.491 8.965 1.00 70.21 C ATOM 1605 CD PRO A 105 8.664 25.081 10.412 1.00 53.05 C ATOM 0 HA PRO A 105 6.764 22.792 9.081 1.00 54.24 H new ATOM 0 HB2 PRO A 105 7.928 24.501 7.224 1.00 1.03 H new ATOM 0 HB3 PRO A 105 6.688 25.080 8.319 1.00 1.03 H new ATOM 0 HG2 PRO A 105 9.681 25.348 8.536 1.00 70.21 H new ATOM 0 HG3 PRO A 105 8.443 26.547 8.854 1.00 70.21 H new ATOM 0 HD2 PRO A 105 9.648 25.170 10.872 1.00 53.05 H new ATOM 0 HD3 PRO A 105 7.983 25.702 10.994 1.00 53.05 H new ATOM 1613 N PHE A 106 8.101 21.529 7.420 1.00 3.30 N ATOM 1614 CA PHE A 106 8.884 20.549 6.678 1.00 65.54 C ATOM 1615 C PHE A 106 8.460 20.510 5.212 1.00 11.14 C ATOM 1616 O PHE A 106 7.565 21.245 4.795 1.00 73.21 O ATOM 1617 CB PHE A 106 8.728 19.161 7.302 1.00 35.43 C ATOM 1618 CG PHE A 106 7.342 18.596 7.167 1.00 25.51 C ATOM 1619 CD1 PHE A 106 6.995 17.836 6.062 1.00 72.13 C ATOM 1620 CD2 PHE A 106 6.388 18.823 8.146 1.00 44.44 C ATOM 1621 CE1 PHE A 106 5.721 17.315 5.935 1.00 52.54 C ATOM 1622 CE2 PHE A 106 5.113 18.305 8.024 1.00 12.12 C ATOM 1623 CZ PHE A 106 4.779 17.549 6.918 1.00 40.34 C ATOM 0 H PHE A 106 7.110 21.546 7.180 1.00 3.30 H new ATOM 0 HA PHE A 106 9.931 20.846 6.727 1.00 65.54 H new ATOM 0 HB2 PHE A 106 9.437 18.479 6.833 1.00 35.43 H new ATOM 0 HB3 PHE A 106 8.989 19.215 8.359 1.00 35.43 H new ATOM 0 HD1 PHE A 106 7.728 17.648 5.291 1.00 72.13 H new ATOM 0 HD2 PHE A 106 6.644 19.412 9.014 1.00 44.44 H new ATOM 0 HE1 PHE A 106 5.462 16.725 5.068 1.00 52.54 H new ATOM 0 HE2 PHE A 106 4.378 18.491 8.793 1.00 12.12 H new ATOM 0 HZ PHE A 106 3.783 17.141 6.822 1.00 40.34 H new ATOM 1633 N ASP A 107 9.109 19.649 4.437 1.00 24.21 N ATOM 1634 CA ASP A 107 8.800 19.513 3.018 1.00 10.25 C ATOM 1635 C ASP A 107 7.974 18.257 2.760 1.00 21.11 C ATOM 1636 O ASP A 107 8.488 17.140 2.828 1.00 33.13 O ATOM 1637 CB ASP A 107 10.088 19.470 2.195 1.00 24.35 C ATOM 1638 CG ASP A 107 10.303 20.735 1.389 1.00 42.31 C ATOM 1639 OD1 ASP A 107 10.684 21.762 1.988 1.00 42.51 O ATOM 1640 OD2 ASP A 107 10.090 20.699 0.159 1.00 74.12 O ATOM 0 H ASP A 107 9.853 19.034 4.767 1.00 24.21 H new ATOM 0 HA ASP A 107 8.214 20.380 2.714 1.00 10.25 H new ATOM 0 HB2 ASP A 107 10.937 19.319 2.862 1.00 24.35 H new ATOM 0 HB3 ASP A 107 10.056 18.614 1.521 1.00 24.35 H new ATOM 1645 N ILE A 108 6.693 18.448 2.465 1.00 72.22 N ATOM 1646 CA ILE A 108 5.796 17.330 2.197 1.00 44.15 C ATOM 1647 C ILE A 108 6.381 16.398 1.140 1.00 14.23 C ATOM 1648 O ILE A 108 6.051 15.213 1.093 1.00 52.15 O ATOM 1649 CB ILE A 108 4.413 17.818 1.726 1.00 24.02 C ATOM 1650 CG1 ILE A 108 4.503 18.382 0.307 1.00 41.41 C ATOM 1651 CG2 ILE A 108 3.867 18.865 2.685 1.00 51.20 C ATOM 1652 CD1 ILE A 108 5.302 19.664 0.215 1.00 32.35 C ATOM 0 H ILE A 108 6.253 19.366 2.405 1.00 72.22 H new ATOM 0 HA ILE A 108 5.680 16.786 3.134 1.00 44.15 H new ATOM 0 HB ILE A 108 3.728 16.970 1.716 1.00 24.02 H new ATOM 0 HG12 ILE A 108 4.955 17.634 -0.344 1.00 41.41 H new ATOM 0 HG13 ILE A 108 3.496 18.564 -0.068 1.00 41.41 H new ATOM 0 HG21 ILE A 108 2.889 19.200 2.339 1.00 51.20 H new ATOM 0 HG22 ILE A 108 3.771 18.432 3.680 1.00 51.20 H new ATOM 0 HG23 ILE A 108 4.549 19.714 2.723 1.00 51.20 H new ATOM 0 HD11 ILE A 108 5.323 20.006 -0.820 1.00 32.35 H new ATOM 0 HD12 ILE A 108 4.838 20.427 0.840 1.00 32.35 H new ATOM 0 HD13 ILE A 108 6.321 19.483 0.559 1.00 32.35 H new ATOM 1664 N ASP A 109 7.251 16.941 0.296 1.00 0.45 N ATOM 1665 CA ASP A 109 7.884 16.158 -0.758 1.00 44.21 C ATOM 1666 C ASP A 109 8.636 14.967 -0.173 1.00 23.30 C ATOM 1667 O ASP A 109 8.614 13.871 -0.733 1.00 53.40 O ATOM 1668 CB ASP A 109 8.842 17.034 -1.568 1.00 20.32 C ATOM 1669 CG ASP A 109 8.138 17.788 -2.679 1.00 11.05 C ATOM 1670 OD1 ASP A 109 7.166 18.512 -2.380 1.00 14.14 O ATOM 1671 OD2 ASP A 109 8.559 17.654 -3.847 1.00 35.41 O ATOM 0 H ASP A 109 7.534 17.921 0.321 1.00 0.45 H new ATOM 0 HA ASP A 109 7.102 15.782 -1.417 1.00 44.21 H new ATOM 0 HB2 ASP A 109 9.330 17.746 -0.902 1.00 20.32 H new ATOM 0 HB3 ASP A 109 9.626 16.410 -1.997 1.00 20.32 H new ATOM 1676 N GLU A 110 9.302 15.190 0.956 1.00 60.21 N ATOM 1677 CA GLU A 110 10.062 14.134 1.615 1.00 42.41 C ATOM 1678 C GLU A 110 9.171 13.328 2.555 1.00 70.31 C ATOM 1679 O GLU A 110 9.476 12.182 2.886 1.00 52.34 O ATOM 1680 CB GLU A 110 11.236 14.731 2.394 1.00 11.23 C ATOM 1681 CG GLU A 110 12.165 13.687 2.989 1.00 24.24 C ATOM 1682 CD GLU A 110 13.619 14.119 2.968 1.00 54.21 C ATOM 1683 OE1 GLU A 110 13.912 15.236 3.445 1.00 71.41 O ATOM 1684 OE2 GLU A 110 14.462 13.342 2.474 1.00 2.13 O ATOM 0 H GLU A 110 9.331 16.091 1.433 1.00 60.21 H new ATOM 0 HA GLU A 110 10.448 13.465 0.846 1.00 42.41 H new ATOM 0 HB2 GLU A 110 11.809 15.379 1.731 1.00 11.23 H new ATOM 0 HB3 GLU A 110 10.847 15.359 3.196 1.00 11.23 H new ATOM 0 HG2 GLU A 110 11.865 13.483 4.017 1.00 24.24 H new ATOM 0 HG3 GLU A 110 12.059 12.754 2.435 1.00 24.24 H new ATOM 1691 N ALA A 111 8.069 13.935 2.982 1.00 74.02 N ATOM 1692 CA ALA A 111 7.132 13.274 3.882 1.00 21.11 C ATOM 1693 C ALA A 111 6.282 12.251 3.136 1.00 41.22 C ATOM 1694 O ALA A 111 6.028 11.156 3.637 1.00 21.20 O ATOM 1695 CB ALA A 111 6.244 14.302 4.568 1.00 60.34 C ATOM 0 H ALA A 111 7.803 14.884 2.719 1.00 74.02 H new ATOM 0 HA ALA A 111 7.708 12.744 4.641 1.00 21.11 H new ATOM 0 HB1 ALA A 111 5.549 13.794 5.237 1.00 60.34 H new ATOM 0 HB2 ALA A 111 6.863 14.992 5.143 1.00 60.34 H new ATOM 0 HB3 ALA A 111 5.683 14.858 3.816 1.00 60.34 H new ATOM 1701 N VAL A 112 5.844 12.616 1.935 1.00 10.10 N ATOM 1702 CA VAL A 112 5.022 11.730 1.119 1.00 24.12 C ATOM 1703 C VAL A 112 5.663 10.353 0.988 1.00 31.41 C ATOM 1704 O VAL A 112 4.974 9.333 0.993 1.00 15.33 O ATOM 1705 CB VAL A 112 4.794 12.314 -0.288 1.00 33.43 C ATOM 1706 CG1 VAL A 112 4.073 11.308 -1.172 1.00 55.24 C ATOM 1707 CG2 VAL A 112 4.014 13.617 -0.203 1.00 2.21 C ATOM 0 H VAL A 112 6.045 13.519 1.506 1.00 10.10 H new ATOM 0 HA VAL A 112 4.061 11.634 1.624 1.00 24.12 H new ATOM 0 HB VAL A 112 5.764 12.527 -0.737 1.00 33.43 H new ATOM 0 HG11 VAL A 112 3.920 11.737 -2.162 1.00 55.24 H new ATOM 0 HG12 VAL A 112 4.674 10.403 -1.258 1.00 55.24 H new ATOM 0 HG13 VAL A 112 3.107 11.062 -0.730 1.00 55.24 H new ATOM 0 HG21 VAL A 112 3.862 14.016 -1.206 1.00 2.21 H new ATOM 0 HG22 VAL A 112 3.047 13.432 0.265 1.00 2.21 H new ATOM 0 HG23 VAL A 112 4.574 14.338 0.393 1.00 2.21 H new ATOM 1717 N ALA A 113 6.987 10.330 0.871 1.00 15.41 N ATOM 1718 CA ALA A 113 7.721 9.078 0.741 1.00 0.12 C ATOM 1719 C ALA A 113 8.002 8.462 2.108 1.00 52.14 C ATOM 1720 O ALA A 113 8.145 7.245 2.234 1.00 41.30 O ATOM 1721 CB ALA A 113 9.022 9.305 -0.015 1.00 13.10 C ATOM 0 H ALA A 113 7.573 11.165 0.864 1.00 15.41 H new ATOM 0 HA ALA A 113 7.103 8.380 0.177 1.00 0.12 H new ATOM 0 HB1 ALA A 113 9.560 8.361 -0.105 1.00 13.10 H new ATOM 0 HB2 ALA A 113 8.802 9.693 -1.009 1.00 13.10 H new ATOM 0 HB3 ALA A 113 9.637 10.023 0.527 1.00 13.10 H new ATOM 1727 N LEU A 114 8.080 9.309 3.128 1.00 22.12 N ATOM 1728 CA LEU A 114 8.345 8.848 4.487 1.00 72.44 C ATOM 1729 C LEU A 114 7.096 8.225 5.103 1.00 2.22 C ATOM 1730 O LEU A 114 7.184 7.418 6.029 1.00 63.04 O ATOM 1731 CB LEU A 114 8.832 10.009 5.355 1.00 73.00 C ATOM 1732 CG LEU A 114 8.801 9.776 6.866 1.00 51.21 C ATOM 1733 CD1 LEU A 114 9.931 8.849 7.286 1.00 34.12 C ATOM 1734 CD2 LEU A 114 8.890 11.100 7.611 1.00 34.24 C ATOM 0 H LEU A 114 7.964 10.319 3.040 1.00 22.12 H new ATOM 0 HA LEU A 114 9.124 8.087 4.441 1.00 72.44 H new ATOM 0 HB2 LEU A 114 9.855 10.249 5.065 1.00 73.00 H new ATOM 0 HB3 LEU A 114 8.223 10.885 5.130 1.00 73.00 H new ATOM 0 HG LEU A 114 7.854 9.300 7.122 1.00 51.21 H new ATOM 0 HD11 LEU A 114 9.893 8.695 8.364 1.00 34.12 H new ATOM 0 HD12 LEU A 114 9.823 7.891 6.778 1.00 34.12 H new ATOM 0 HD13 LEU A 114 10.888 9.296 7.017 1.00 34.12 H new ATOM 0 HD21 LEU A 114 8.867 10.915 8.685 1.00 34.24 H new ATOM 0 HD22 LEU A 114 9.821 11.603 7.349 1.00 34.24 H new ATOM 0 HD23 LEU A 114 8.046 11.731 7.333 1.00 34.24 H new ATOM 1746 N VAL A 115 5.933 8.604 4.583 1.00 44.42 N ATOM 1747 CA VAL A 115 4.666 8.081 5.080 1.00 44.24 C ATOM 1748 C VAL A 115 4.579 6.572 4.880 1.00 52.41 C ATOM 1749 O VAL A 115 4.168 5.841 5.780 1.00 60.42 O ATOM 1750 CB VAL A 115 3.469 8.751 4.379 1.00 2.13 C ATOM 1751 CG1 VAL A 115 2.162 8.122 4.837 1.00 63.43 C ATOM 1752 CG2 VAL A 115 3.469 10.250 4.642 1.00 64.54 C ATOM 0 H VAL A 115 5.842 9.272 3.817 1.00 44.42 H new ATOM 0 HA VAL A 115 4.626 8.306 6.146 1.00 44.24 H new ATOM 0 HB VAL A 115 3.564 8.593 3.305 1.00 2.13 H new ATOM 0 HG11 VAL A 115 1.328 8.608 4.331 1.00 63.43 H new ATOM 0 HG12 VAL A 115 2.165 7.059 4.594 1.00 63.43 H new ATOM 0 HG13 VAL A 115 2.056 8.247 5.915 1.00 63.43 H new ATOM 0 HG21 VAL A 115 2.617 10.708 4.139 1.00 64.54 H new ATOM 0 HG22 VAL A 115 3.398 10.431 5.714 1.00 64.54 H new ATOM 0 HG23 VAL A 115 4.392 10.686 4.261 1.00 64.54 H new ATOM 1762 N GLU A 116 4.968 6.114 3.694 1.00 4.23 N ATOM 1763 CA GLU A 116 4.933 4.691 3.377 1.00 42.42 C ATOM 1764 C GLU A 116 6.179 3.986 3.903 1.00 25.53 C ATOM 1765 O GLU A 116 6.191 2.766 4.071 1.00 34.03 O ATOM 1766 CB GLU A 116 4.818 4.486 1.865 1.00 52.31 C ATOM 1767 CG GLU A 116 3.775 5.375 1.208 1.00 71.31 C ATOM 1768 CD GLU A 116 2.938 4.633 0.184 1.00 35.34 C ATOM 1769 OE1 GLU A 116 3.526 3.947 -0.678 1.00 20.12 O ATOM 1770 OE2 GLU A 116 1.695 4.738 0.245 1.00 32.42 O ATOM 0 H GLU A 116 5.311 6.707 2.938 1.00 4.23 H new ATOM 0 HA GLU A 116 4.059 4.258 3.863 1.00 42.42 H new ATOM 0 HB2 GLU A 116 5.788 4.678 1.406 1.00 52.31 H new ATOM 0 HB3 GLU A 116 4.572 3.443 1.666 1.00 52.31 H new ATOM 0 HG2 GLU A 116 3.121 5.789 1.975 1.00 71.31 H new ATOM 0 HG3 GLU A 116 4.272 6.216 0.725 1.00 71.31 H new ATOM 1777 N ARG A 117 7.227 4.761 4.161 1.00 43.30 N ATOM 1778 CA ARG A 117 8.479 4.211 4.666 1.00 3.24 C ATOM 1779 C ARG A 117 8.226 3.280 5.848 1.00 21.23 C ATOM 1780 O ARG A 117 8.781 2.184 5.917 1.00 21.35 O ATOM 1781 CB ARG A 117 9.424 5.339 5.085 1.00 23.13 C ATOM 1782 CG ARG A 117 10.624 5.501 4.166 1.00 11.32 C ATOM 1783 CD ARG A 117 11.928 5.516 4.949 1.00 15.00 C ATOM 1784 NE ARG A 117 12.197 4.231 5.588 1.00 34.23 N ATOM 1785 CZ ARG A 117 13.257 3.998 6.353 1.00 4.32 C ATOM 1786 NH1 ARG A 117 14.144 4.960 6.573 1.00 33.43 N ATOM 1787 NH2 ARG A 117 13.433 2.802 6.900 1.00 1.22 N ATOM 0 H ARG A 117 7.234 5.772 4.029 1.00 43.30 H new ATOM 0 HA ARG A 117 8.943 3.636 3.865 1.00 3.24 H new ATOM 0 HB2 ARG A 117 8.868 6.276 5.111 1.00 23.13 H new ATOM 0 HB3 ARG A 117 9.776 5.149 6.099 1.00 23.13 H new ATOM 0 HG2 ARG A 117 10.642 4.686 3.443 1.00 11.32 H new ATOM 0 HG3 ARG A 117 10.528 6.427 3.600 1.00 11.32 H new ATOM 0 HD2 ARG A 117 12.750 5.767 4.279 1.00 15.00 H new ATOM 0 HD3 ARG A 117 11.886 6.297 5.708 1.00 15.00 H new ATOM 0 HE ARG A 117 11.534 3.470 5.438 1.00 34.23 H new ATOM 0 HH11 ARG A 117 14.012 5.881 6.154 1.00 33.43 H new ATOM 0 HH12 ARG A 117 14.958 4.779 7.161 1.00 33.43 H new ATOM 0 HH21 ARG A 117 12.753 2.060 6.733 1.00 1.22 H new ATOM 0 HH22 ARG A 117 14.248 2.625 7.487 1.00 1.22 H new ATOM 1801 N ALA A 118 7.385 3.725 6.776 1.00 73.32 N ATOM 1802 CA ALA A 118 7.057 2.931 7.954 1.00 51.04 C ATOM 1803 C ALA A 118 5.930 1.948 7.657 1.00 73.22 C ATOM 1804 O ALA A 118 5.999 0.778 8.034 1.00 33.22 O ATOM 1805 CB ALA A 118 6.676 3.840 9.113 1.00 74.40 C ATOM 0 H ALA A 118 6.918 4.631 6.735 1.00 73.32 H new ATOM 0 HA ALA A 118 7.940 2.356 8.232 1.00 51.04 H new ATOM 0 HB1 ALA A 118 6.433 3.234 9.986 1.00 74.40 H new ATOM 0 HB2 ALA A 118 7.512 4.498 9.349 1.00 74.40 H new ATOM 0 HB3 ALA A 118 5.809 4.440 8.835 1.00 74.40 H new ATOM 1811 N ILE A 119 4.893 2.430 6.980 1.00 41.32 N ATOM 1812 CA ILE A 119 3.752 1.593 6.633 1.00 74.04 C ATOM 1813 C ILE A 119 4.197 0.336 5.892 1.00 13.32 C ATOM 1814 O ILE A 119 3.529 -0.696 5.944 1.00 74.33 O ATOM 1815 CB ILE A 119 2.738 2.357 5.761 1.00 74.13 C ATOM 1816 CG1 ILE A 119 2.275 3.629 6.474 1.00 42.10 C ATOM 1817 CG2 ILE A 119 1.549 1.467 5.428 1.00 11.55 C ATOM 1818 CD1 ILE A 119 1.561 4.605 5.566 1.00 41.43 C ATOM 0 H ILE A 119 4.820 3.396 6.661 1.00 41.32 H new ATOM 0 HA ILE A 119 3.273 1.309 7.570 1.00 74.04 H new ATOM 0 HB ILE A 119 3.226 2.643 4.829 1.00 74.13 H new ATOM 0 HG12 ILE A 119 1.611 3.355 7.294 1.00 42.10 H new ATOM 0 HG13 ILE A 119 3.140 4.123 6.916 1.00 42.10 H new ATOM 0 HG21 ILE A 119 0.841 2.021 4.811 1.00 11.55 H new ATOM 0 HG22 ILE A 119 1.894 0.588 4.884 1.00 11.55 H new ATOM 0 HG23 ILE A 119 1.059 1.154 6.350 1.00 11.55 H new ATOM 0 HD11 ILE A 119 1.261 5.483 6.139 1.00 41.43 H new ATOM 0 HD12 ILE A 119 2.230 4.908 4.760 1.00 41.43 H new ATOM 0 HD13 ILE A 119 0.676 4.128 5.143 1.00 41.43 H new ATOM 1830 N SER A 120 5.331 0.431 5.205 1.00 15.21 N ATOM 1831 CA SER A 120 5.865 -0.698 4.452 1.00 13.41 C ATOM 1832 C SER A 120 5.969 -1.938 5.334 1.00 62.21 C ATOM 1833 O SER A 120 5.602 -3.039 4.922 1.00 22.33 O ATOM 1834 CB SER A 120 7.239 -0.350 3.877 1.00 0.50 C ATOM 1835 OG SER A 120 7.211 -0.338 2.460 1.00 30.22 O ATOM 0 H SER A 120 5.897 1.278 5.154 1.00 15.21 H new ATOM 0 HA SER A 120 5.180 -0.913 3.632 1.00 13.41 H new ATOM 0 HB2 SER A 120 7.554 0.626 4.246 1.00 0.50 H new ATOM 0 HB3 SER A 120 7.976 -1.075 4.223 1.00 0.50 H new ATOM 0 HG SER A 120 8.101 -0.111 2.117 1.00 30.22 H new ATOM 1841 N HIS A 121 6.473 -1.752 6.550 1.00 52.41 N ATOM 1842 CA HIS A 121 6.626 -2.855 7.492 1.00 53.14 C ATOM 1843 C HIS A 121 5.303 -3.590 7.686 1.00 21.25 C ATOM 1844 O HIS A 121 5.284 -4.781 7.999 1.00 73.03 O ATOM 1845 CB HIS A 121 7.138 -2.338 8.836 1.00 23.22 C ATOM 1846 CG HIS A 121 7.605 -3.424 9.757 1.00 54.32 C ATOM 1847 ND1 HIS A 121 8.936 -3.728 9.948 1.00 72.54 N ATOM 1848 CD2 HIS A 121 6.908 -4.278 10.543 1.00 2.50 C ATOM 1849 CE1 HIS A 121 9.038 -4.724 10.810 1.00 40.10 C ATOM 1850 NE2 HIS A 121 7.822 -5.075 11.187 1.00 71.21 N ATOM 0 H HIS A 121 6.782 -0.848 6.906 1.00 52.41 H new ATOM 0 HA HIS A 121 7.353 -3.555 7.080 1.00 53.14 H new ATOM 0 HB2 HIS A 121 7.960 -1.644 8.660 1.00 23.22 H new ATOM 0 HB3 HIS A 121 6.344 -1.774 9.326 1.00 23.22 H new ATOM 0 HD2 HIS A 121 5.834 -4.324 10.645 1.00 2.50 H new ATOM 0 HE1 HIS A 121 9.959 -5.175 11.149 1.00 40.10 H new ATOM 0 HE2 HIS A 121 7.598 -5.818 11.849 1.00 71.21 H new ATOM 1858 N TYR A 122 4.200 -2.873 7.501 1.00 25.11 N ATOM 1859 CA TYR A 122 2.874 -3.457 7.660 1.00 53.43 C ATOM 1860 C TYR A 122 2.072 -3.347 6.366 1.00 1.33 C ATOM 1861 O TYR A 122 0.952 -2.836 6.359 1.00 24.35 O ATOM 1862 CB TYR A 122 2.122 -2.765 8.799 1.00 64.23 C ATOM 1863 CG TYR A 122 2.951 -2.587 10.051 1.00 44.05 C ATOM 1864 CD1 TYR A 122 3.004 -3.581 11.020 1.00 10.52 C ATOM 1865 CD2 TYR A 122 3.683 -1.425 10.263 1.00 40.10 C ATOM 1866 CE1 TYR A 122 3.759 -3.421 12.166 1.00 64.43 C ATOM 1867 CE2 TYR A 122 4.442 -1.258 11.405 1.00 45.32 C ATOM 1868 CZ TYR A 122 4.477 -2.258 12.353 1.00 20.54 C ATOM 1869 OH TYR A 122 5.232 -2.097 13.492 1.00 10.35 O ATOM 0 H TYR A 122 4.198 -1.887 7.241 1.00 25.11 H new ATOM 0 HA TYR A 122 2.996 -4.513 7.903 1.00 53.43 H new ATOM 0 HB2 TYR A 122 1.781 -1.788 8.457 1.00 64.23 H new ATOM 0 HB3 TYR A 122 1.232 -3.346 9.042 1.00 64.23 H new ATOM 0 HD1 TYR A 122 2.446 -4.494 10.875 1.00 10.52 H new ATOM 0 HD2 TYR A 122 3.658 -0.639 9.522 1.00 40.10 H new ATOM 0 HE1 TYR A 122 3.787 -4.202 12.911 1.00 64.43 H new ATOM 0 HE2 TYR A 122 5.005 -0.349 11.554 1.00 45.32 H new ATOM 0 HH TYR A 122 5.676 -1.224 13.469 1.00 10.35 H new ATOM 1879 N GLN A 123 2.655 -3.830 5.274 1.00 73.41 N ATOM 1880 CA GLN A 123 1.995 -3.787 3.974 1.00 3.11 C ATOM 1881 C GLN A 123 0.599 -4.396 4.051 1.00 2.13 C ATOM 1882 O GLN A 123 0.353 -5.309 4.839 1.00 43.21 O ATOM 1883 CB GLN A 123 2.831 -4.529 2.930 1.00 42.44 C ATOM 1884 CG GLN A 123 2.782 -6.041 3.073 1.00 21.24 C ATOM 1885 CD GLN A 123 4.000 -6.723 2.483 1.00 61.45 C ATOM 1886 OE1 GLN A 123 5.021 -6.884 3.151 1.00 25.03 O ATOM 1887 NE2 GLN A 123 3.898 -7.130 1.222 1.00 5.44 N ATOM 0 H GLN A 123 3.582 -4.255 5.263 1.00 73.41 H new ATOM 0 HA GLN A 123 1.899 -2.742 3.678 1.00 3.11 H new ATOM 0 HB2 GLN A 123 2.481 -4.255 1.935 1.00 42.44 H new ATOM 0 HB3 GLN A 123 3.867 -4.199 3.005 1.00 42.44 H new ATOM 0 HG2 GLN A 123 2.701 -6.300 4.129 1.00 21.24 H new ATOM 0 HG3 GLN A 123 1.885 -6.420 2.583 1.00 21.24 H new ATOM 0 HE21 GLN A 123 3.032 -6.976 0.705 1.00 5.44 H new ATOM 0 HE22 GLN A 123 4.685 -7.596 0.771 1.00 5.44 H new ATOM 1896 N GLU A 124 -0.311 -3.884 3.229 1.00 42.24 N ATOM 1897 CA GLU A 124 -1.683 -4.377 3.206 1.00 63.44 C ATOM 1898 C GLU A 124 -1.946 -5.195 1.944 1.00 24.45 C ATOM 1899 O GLU A 124 -1.173 -6.089 1.601 1.00 71.33 O ATOM 1900 CB GLU A 124 -2.669 -3.211 3.285 1.00 55.31 C ATOM 1901 CG GLU A 124 -2.585 -2.430 4.586 1.00 54.34 C ATOM 1902 CD GLU A 124 -2.996 -0.979 4.423 1.00 73.23 C ATOM 1903 OE1 GLU A 124 -3.488 -0.620 3.333 1.00 72.13 O ATOM 1904 OE2 GLU A 124 -2.826 -0.203 5.386 1.00 23.24 O ATOM 0 H GLU A 124 -0.123 -3.128 2.570 1.00 42.24 H new ATOM 0 HA GLU A 124 -1.824 -5.022 4.073 1.00 63.44 H new ATOM 0 HB2 GLU A 124 -2.485 -2.533 2.452 1.00 55.31 H new ATOM 0 HB3 GLU A 124 -3.682 -3.594 3.166 1.00 55.31 H new ATOM 0 HG2 GLU A 124 -3.224 -2.903 5.331 1.00 54.34 H new ATOM 0 HG3 GLU A 124 -1.565 -2.474 4.967 1.00 54.34 H new TER 1911 GLU A 124