USER MOD reduce.3.24.130724 H: found=0, std=0, add=1326, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1324 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 114 CYS SG : rot 25:sc= -1.65 USER MOD Set 1.2: A 120 GLN : amide:sc= -8.23! K(o=-9.9!,f=-3.8) USER MOD Set 2.1: A 106 GLN : amide:sc= -3! C(o=-2.2!,f=-6.4!) USER MOD Set 2.2: A 108 TYR OH : rot 77:sc= 0.777 USER MOD Set 3.1: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 70 GLN : amide:sc= -4.12! C(o=-4.1!,f=-1.2!) USER MOD Set 4.1: A 49 TYR OH : rot 165:sc= -0.0357 USER MOD Set 4.2: A 58 MET CE :methyl -174:sc= -0.846 (180deg=-0.89) USER MOD Set 5.1: A 20 TYR OH : rot -164:sc= 0.199 USER MOD Set 5.2: A 26 CYS SG : rot 50:sc= -0.174 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -108:sc= -0.945 USER MOD Single : A 14 ASN : amide:sc= -0.439 K(o=-0.44,f=-2.5!) USER MOD Single : A 16 GLN : amide:sc= -0.683 K(o=-0.68,f=0) USER MOD Single : A 22 CYS SG : rot -93:sc= -0.152! USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 33:sc= -3.83 USER MOD Single : A 37 ASN : amide:sc= -9.08! C(o=-9.1!,f=-5.5!) USER MOD Single : A 38 SER OG : rot 56:sc= 1.02 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0827 USER MOD Single : A 53 ASN : amide:sc= -0.69 X(o=-0.69,f=-0.26) USER MOD Single : A 55 SER OG : rot 180:sc= -0.0891 USER MOD Single : A 57 HIS : no HD1:sc=-0.00371 X(o=-0.0037,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -3.6! C(o=-3.6!,f=-1.4!) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0838 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -2.8! C(o=-2.8!,f=-2.9!) USER MOD Single : A 81 SER OG : rot -142:sc= 1.23 USER MOD Single : A 82 CYS SG : rot 22:sc= -0.0173 USER MOD Single : A 86 HIS : no HD1:sc=-0.00371 X(o=-0.0037,f=-0.18) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0.229 USER MOD Single : A 92 GLN : amide:sc= -0.396 K(o=-0.4,f=-2!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -5.66! C(o=-5.7!,f=-11!) USER MOD Single : A 100 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0514) USER MOD Single : A 104 ASN : amide:sc= -0.0248 K(o=-0.025,f=-5.3!) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 69:sc= -0.343! USER MOD Single : A 111 THR OG1 : rot -57:sc= 0.843 USER MOD Single : A 116 SER OG : rot 180:sc= -0.394 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 HIS : no HD1:sc= -0.907 X(o=-0.91,f=-0.46) USER MOD Single : A 127 HIS : no HD1:sc= -2.78! C(o=-2.8!,f=-5.4!) USER MOD Single : A 128 SER OG : rot -102:sc= 0.45 USER MOD Single : A 129 CYS SG : rot 15:sc= 0.637 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 TYR OH : rot 180:sc= -1.17 USER MOD Single : A 143 ASN : amide:sc= -1.88! C(o=-1.9!,f=-3.4!) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -0.508 K(o=-0.51,f=-1.6!) USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0549) USER MOD Single : A 156 TYR OH : rot 180:sc= 0.528 USER MOD Single : A 158 LYS NZ :NH3+ 162:sc=-0.00146 (180deg=-0.303) USER MOD Single : A 166 SER OG : rot 180:sc= 0.045 USER MOD Single : A 170 GLN : amide:sc= -0.258 K(o=-0.26,f=-2.8!) USER MOD Single : A 171 SER OG : rot -129:sc= -0.585 USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 4 -15.924 -11.901 1.016 1.00 0.52 N ATOM 51 CA GLY A 4 -16.276 -11.358 2.365 1.00 0.30 C ATOM 52 C GLY A 4 -14.964 -11.213 3.142 1.00 0.41 C ATOM 53 O GLY A 4 -14.521 -12.115 3.825 1.00 0.81 O ATOM 0 HA2 GLY A 4 -16.780 -10.396 2.275 1.00 0.30 H new ATOM 0 HA3 GLY A 4 -16.961 -12.028 2.885 1.00 0.30 H new ATOM 57 N GLY A 5 -14.333 -10.074 3.010 1.00 0.01 N ATOM 58 CA GLY A 5 -13.036 -9.849 3.704 1.00 0.01 C ATOM 59 C GLY A 5 -13.258 -9.508 5.179 1.00 0.01 C ATOM 60 O GLY A 5 -14.247 -8.910 5.552 1.00 0.01 O ATOM 0 H GLY A 5 -14.664 -9.289 2.449 1.00 0.01 H new ATOM 0 HA2 GLY A 5 -12.416 -10.742 3.622 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -12.494 -9.038 3.217 1.00 0.01 H new ATOM 64 N LYS A 6 -12.328 -9.883 6.014 1.00 0.00 N ATOM 65 CA LYS A 6 -12.445 -9.587 7.470 1.00 0.01 C ATOM 66 C LYS A 6 -11.041 -9.475 8.060 1.00 0.01 C ATOM 67 O LYS A 6 -10.162 -10.269 7.761 1.00 0.00 O ATOM 68 CB LYS A 6 -13.222 -10.701 8.181 1.00 0.02 C ATOM 69 CG LYS A 6 -13.448 -10.318 9.648 1.00 0.02 C ATOM 70 CD LYS A 6 -14.559 -11.189 10.245 1.00 0.02 C ATOM 71 CE LYS A 6 -14.213 -12.666 10.051 1.00 0.02 C ATOM 72 NZ LYS A 6 -15.080 -13.499 10.933 1.00 0.02 N ATOM 0 H LYS A 6 -11.483 -10.387 5.746 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.985 -8.650 7.609 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -14.179 -10.863 7.686 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -12.669 -11.639 8.121 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -12.526 -10.449 10.214 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -13.720 -9.265 9.721 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -14.677 -10.969 11.306 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -15.511 -10.962 9.765 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -14.356 -12.950 9.009 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -13.163 -12.839 10.287 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -14.845 -14.504 10.802 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -14.922 -13.233 11.926 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -16.078 -13.342 10.687 1.00 0.02 H new ATOM 86 N ILE A 7 -10.838 -8.492 8.906 1.00 0.02 N ATOM 87 CA ILE A 7 -9.505 -8.284 9.554 1.00 0.00 C ATOM 88 C ILE A 7 -9.694 -8.130 11.068 1.00 0.02 C ATOM 89 O ILE A 7 -10.638 -7.514 11.524 1.00 0.01 O ATOM 90 CB ILE A 7 -8.838 -7.045 8.949 1.00 0.02 C ATOM 91 CG1 ILE A 7 -7.560 -6.712 9.723 1.00 0.02 C ATOM 92 CG2 ILE A 7 -9.800 -5.860 9.010 1.00 0.01 C ATOM 93 CD1 ILE A 7 -6.764 -5.653 8.957 1.00 0.02 C ATOM 0 H ILE A 7 -11.551 -7.816 9.178 1.00 0.02 H new ATOM 0 HA ILE A 7 -8.859 -9.144 9.376 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.583 -7.249 7.909 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -7.810 -6.346 10.719 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -6.957 -7.611 9.856 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -9.322 -4.981 8.579 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -10.703 -6.095 8.447 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -10.063 -5.658 10.048 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -5.853 -5.414 9.506 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -6.503 -6.037 7.971 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -7.368 -4.752 8.847 1.00 0.02 H new ATOM 105 N SER A 8 -8.793 -8.681 11.851 1.00 0.02 N ATOM 106 CA SER A 8 -8.897 -8.566 13.344 1.00 0.02 C ATOM 107 C SER A 8 -7.646 -7.875 13.900 1.00 0.01 C ATOM 108 O SER A 8 -6.531 -8.269 13.627 1.00 0.02 O ATOM 109 CB SER A 8 -9.030 -9.959 13.969 1.00 0.30 C ATOM 110 OG SER A 8 -9.875 -10.760 13.153 1.00 0.39 O ATOM 0 H SER A 8 -7.986 -9.208 11.518 1.00 0.02 H new ATOM 0 HA SER A 8 -9.779 -7.975 13.592 1.00 0.02 H new ATOM 0 HB2 SER A 8 -8.048 -10.424 14.063 1.00 0.30 H new ATOM 0 HB3 SER A 8 -9.443 -9.881 14.975 1.00 0.30 H new ATOM 0 HG SER A 8 -9.961 -11.653 13.548 1.00 0.39 H new ATOM 116 N PHE A 9 -7.839 -6.856 14.703 1.00 0.02 N ATOM 117 CA PHE A 9 -6.688 -6.126 15.323 1.00 0.01 C ATOM 118 C PHE A 9 -6.641 -6.482 16.815 1.00 0.01 C ATOM 119 O PHE A 9 -7.668 -6.552 17.459 1.00 0.02 O ATOM 120 CB PHE A 9 -6.911 -4.613 15.191 1.00 0.02 C ATOM 121 CG PHE A 9 -6.952 -4.189 13.741 1.00 0.01 C ATOM 122 CD1 PHE A 9 -8.122 -4.366 12.992 1.00 0.01 C ATOM 123 CD2 PHE A 9 -5.831 -3.592 13.151 1.00 0.01 C ATOM 124 CE1 PHE A 9 -8.167 -3.948 11.657 1.00 0.02 C ATOM 125 CE2 PHE A 9 -5.875 -3.180 11.816 1.00 0.02 C ATOM 126 CZ PHE A 9 -7.043 -3.357 11.069 1.00 0.02 C ATOM 0 H PHE A 9 -8.758 -6.494 14.958 1.00 0.02 H new ATOM 0 HA PHE A 9 -5.759 -6.406 14.826 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -7.845 -4.337 15.679 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -6.112 -4.079 15.706 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -8.989 -4.825 13.444 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -4.930 -3.450 13.729 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -9.070 -4.082 11.080 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -5.007 -2.725 11.362 1.00 0.02 H new ATOM 0 HZ PHE A 9 -7.078 -3.038 10.038 1.00 0.02 H new ATOM 136 N TYR A 10 -5.473 -6.721 17.370 1.00 0.02 N ATOM 137 CA TYR A 10 -5.377 -7.089 18.828 1.00 0.01 C ATOM 138 C TYR A 10 -4.479 -6.088 19.562 1.00 0.02 C ATOM 139 O TYR A 10 -3.455 -5.673 19.057 1.00 0.01 O ATOM 140 CB TYR A 10 -4.758 -8.483 18.963 1.00 0.02 C ATOM 141 CG TYR A 10 -5.452 -9.455 18.036 1.00 0.02 C ATOM 142 CD1 TYR A 10 -5.231 -9.388 16.654 1.00 0.02 C ATOM 143 CD2 TYR A 10 -6.307 -10.434 18.559 1.00 0.00 C ATOM 144 CE1 TYR A 10 -5.865 -10.296 15.798 1.00 0.02 C ATOM 145 CE2 TYR A 10 -6.940 -11.340 17.703 1.00 0.02 C ATOM 146 CZ TYR A 10 -6.720 -11.272 16.323 1.00 0.00 C ATOM 147 OH TYR A 10 -7.345 -12.167 15.479 1.00 0.02 O ATOM 0 H TYR A 10 -4.580 -6.678 16.878 1.00 0.02 H new ATOM 0 HA TYR A 10 -6.378 -7.075 19.260 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -3.695 -8.441 18.728 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -4.843 -8.828 19.993 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -4.571 -8.635 16.249 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -6.477 -10.489 19.624 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.695 -10.244 14.733 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -7.600 -12.093 18.107 1.00 0.02 H new ATOM 0 HH TYR A 10 -8.299 -11.952 15.423 1.00 0.02 H new ATOM 157 N GLU A 11 -4.862 -5.678 20.747 1.00 0.00 N ATOM 158 CA GLU A 11 -4.038 -4.682 21.490 1.00 0.02 C ATOM 159 C GLU A 11 -2.700 -5.282 21.925 1.00 0.03 C ATOM 160 O GLU A 11 -1.729 -4.564 22.064 1.00 0.03 O ATOM 161 CB GLU A 11 -4.796 -4.220 22.744 1.00 0.00 C ATOM 162 CG GLU A 11 -5.917 -3.264 22.346 1.00 0.00 C ATOM 163 CD GLU A 11 -6.643 -2.771 23.599 1.00 0.02 C ATOM 164 OE1 GLU A 11 -6.395 -3.323 24.658 1.00 0.01 O ATOM 165 OE2 GLU A 11 -7.435 -1.852 23.477 1.00 0.02 O ATOM 0 H GLU A 11 -5.706 -5.990 21.227 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.848 -3.841 20.823 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -5.209 -5.081 23.269 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.111 -3.726 23.433 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.508 -2.418 21.794 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.619 -3.768 21.682 1.00 0.00 H new ATOM 172 N ASP A 12 -2.623 -6.576 22.145 1.00 0.02 N ATOM 173 CA ASP A 12 -1.325 -7.191 22.576 1.00 0.01 C ATOM 174 C ASP A 12 -0.807 -8.148 21.499 1.00 0.02 C ATOM 175 O ASP A 12 -1.482 -8.462 20.539 1.00 0.02 O ATOM 176 CB ASP A 12 -1.523 -7.972 23.878 1.00 0.01 C ATOM 177 CG ASP A 12 -0.159 -8.312 24.482 1.00 0.01 C ATOM 178 OD1 ASP A 12 0.459 -7.420 25.040 1.00 0.03 O ATOM 179 OD2 ASP A 12 0.244 -9.459 24.375 1.00 0.02 O ATOM 0 H ASP A 12 -3.400 -7.230 22.045 1.00 0.02 H new ATOM 0 HA ASP A 12 -0.601 -6.391 22.731 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -2.108 -7.382 24.583 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -2.085 -8.886 23.684 1.00 0.01 H new ATOM 184 N ARG A 13 0.402 -8.596 21.670 1.00 0.02 N ATOM 185 CA ARG A 13 1.033 -9.526 20.690 1.00 0.02 C ATOM 186 C ARG A 13 0.462 -10.941 20.844 1.00 0.00 C ATOM 187 O ARG A 13 -0.131 -11.287 21.848 1.00 0.02 O ATOM 188 CB ARG A 13 2.537 -9.555 20.963 1.00 0.00 C ATOM 189 CG ARG A 13 3.169 -8.249 20.477 1.00 0.01 C ATOM 190 CD ARG A 13 4.587 -8.128 21.035 1.00 0.02 C ATOM 191 NE ARG A 13 5.168 -6.816 20.638 1.00 0.03 N ATOM 192 CZ ARG A 13 6.232 -6.363 21.241 1.00 0.02 C ATOM 193 NH1 ARG A 13 6.784 -7.058 22.197 1.00 0.02 N ATOM 194 NH2 ARG A 13 6.744 -5.215 20.891 1.00 0.02 N ATOM 0 H ARG A 13 0.994 -8.353 22.464 1.00 0.02 H new ATOM 0 HA ARG A 13 0.829 -9.182 19.676 1.00 0.02 H new ATOM 0 HB2 ARG A 13 2.721 -9.686 22.029 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.994 -10.404 20.454 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.193 -8.228 19.387 1.00 0.01 H new ATOM 0 HG3 ARG A 13 2.567 -7.400 20.799 1.00 0.01 H new ATOM 0 HD2 ARG A 13 4.570 -8.216 22.121 1.00 0.02 H new ATOM 0 HD3 ARG A 13 5.208 -8.941 20.659 1.00 0.02 H new ATOM 0 HE ARG A 13 4.733 -6.271 19.894 1.00 0.03 H new ATOM 0 HH11 ARG A 13 6.383 -7.955 22.472 1.00 0.02 H new ATOM 0 HH12 ARG A 13 7.616 -6.705 22.669 1.00 0.02 H new ATOM 0 HH21 ARG A 13 6.312 -4.670 20.145 1.00 0.02 H new ATOM 0 HH22 ARG A 13 7.576 -4.862 21.364 1.00 0.02 H new ATOM 208 N ASN A 14 0.644 -11.755 19.835 1.00 0.02 N ATOM 209 CA ASN A 14 0.148 -13.162 19.871 1.00 0.02 C ATOM 210 C ASN A 14 -1.376 -13.200 19.986 1.00 0.02 C ATOM 211 O ASN A 14 -1.955 -14.087 20.579 1.00 0.02 O ATOM 212 CB ASN A 14 0.800 -13.893 21.050 1.00 0.26 C ATOM 213 CG ASN A 14 0.623 -15.402 20.876 1.00 0.12 C ATOM 214 OD1 ASN A 14 -0.066 -15.845 19.977 1.00 0.74 O ATOM 215 ND2 ASN A 14 1.219 -16.217 21.703 1.00 0.46 N ATOM 0 H ASN A 14 1.124 -11.498 18.973 1.00 0.02 H new ATOM 0 HA ASN A 14 0.419 -13.662 18.941 1.00 0.02 H new ATOM 0 HB2 ASN A 14 1.860 -13.644 21.104 1.00 0.26 H new ATOM 0 HB3 ASN A 14 0.348 -13.569 21.987 1.00 0.26 H new ATOM 0 HD21 ASN A 14 1.107 -17.225 21.595 1.00 0.46 H new ATOM 0 HD22 ASN A 14 1.797 -15.846 22.457 1.00 0.46 H new ATOM 222 N PHE A 15 -2.015 -12.238 19.385 1.00 0.02 N ATOM 223 CA PHE A 15 -3.503 -12.176 19.392 1.00 0.02 C ATOM 224 C PHE A 15 -4.038 -12.199 20.826 1.00 0.00 C ATOM 225 O PHE A 15 -5.040 -12.823 21.112 1.00 0.02 O ATOM 226 CB PHE A 15 -4.077 -13.377 18.604 1.00 0.02 C ATOM 227 CG PHE A 15 -3.062 -13.869 17.599 1.00 0.02 C ATOM 228 CD1 PHE A 15 -2.879 -13.184 16.393 1.00 0.02 C ATOM 229 CD2 PHE A 15 -2.303 -15.013 17.877 1.00 0.02 C ATOM 230 CE1 PHE A 15 -1.937 -13.641 15.466 1.00 0.02 C ATOM 231 CE2 PHE A 15 -1.360 -15.470 16.950 1.00 0.02 C ATOM 232 CZ PHE A 15 -1.177 -14.786 15.744 1.00 0.02 C ATOM 0 H PHE A 15 -1.561 -11.477 18.879 1.00 0.02 H new ATOM 0 HA PHE A 15 -3.814 -11.244 18.919 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -4.340 -14.181 19.291 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -4.994 -13.082 18.093 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -3.465 -12.303 16.178 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -2.446 -15.543 18.807 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -1.795 -13.112 14.535 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -0.773 -16.351 17.166 1.00 0.02 H new ATOM 0 HZ PHE A 15 -0.451 -15.140 15.027 1.00 0.02 H new ATOM 242 N GLN A 16 -3.386 -11.501 21.721 1.00 0.02 N ATOM 243 CA GLN A 16 -3.857 -11.447 23.140 1.00 0.02 C ATOM 244 C GLN A 16 -4.389 -10.036 23.415 1.00 0.02 C ATOM 245 O GLN A 16 -4.151 -9.117 22.654 1.00 0.02 O ATOM 246 CB GLN A 16 -2.677 -11.736 24.075 1.00 0.02 C ATOM 247 CG GLN A 16 -2.385 -13.239 24.082 1.00 0.00 C ATOM 248 CD GLN A 16 -0.994 -13.490 24.670 1.00 0.00 C ATOM 249 OE1 GLN A 16 -0.391 -14.514 24.422 1.00 0.02 O ATOM 250 NE2 GLN A 16 -0.453 -12.585 25.442 1.00 0.02 N ATOM 0 H GLN A 16 -2.542 -10.962 21.529 1.00 0.02 H new ATOM 0 HA GLN A 16 -4.640 -12.186 23.309 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -1.796 -11.185 23.746 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -2.907 -11.395 25.084 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -3.139 -13.763 24.669 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.439 -13.635 23.068 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.959 -11.724 25.651 1.00 0.02 H new ATOM 0 HE22 GLN A 16 0.475 -12.739 25.836 1.00 0.02 H new ATOM 259 N GLY A 17 -5.114 -9.847 24.487 1.00 0.03 N ATOM 260 CA GLY A 17 -5.652 -8.486 24.792 1.00 0.03 C ATOM 261 C GLY A 17 -7.012 -8.276 24.118 1.00 0.02 C ATOM 262 O GLY A 17 -7.621 -9.200 23.618 1.00 0.02 O ATOM 0 H GLY A 17 -5.356 -10.572 25.162 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -5.752 -8.363 25.870 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -4.949 -7.727 24.448 1.00 0.03 H new ATOM 266 N ARG A 18 -7.481 -7.057 24.094 1.00 0.00 N ATOM 267 CA ARG A 18 -8.791 -6.757 23.445 1.00 0.02 C ATOM 268 C ARG A 18 -8.663 -6.929 21.931 1.00 0.02 C ATOM 269 O ARG A 18 -7.639 -6.629 21.346 1.00 0.02 O ATOM 270 CB ARG A 18 -9.185 -5.312 23.761 1.00 0.79 C ATOM 271 CG ARG A 18 -10.550 -5.007 23.139 1.00 1.49 C ATOM 272 CD ARG A 18 -11.116 -3.725 23.753 1.00 1.42 C ATOM 273 NE ARG A 18 -10.223 -2.579 23.422 1.00 2.07 N ATOM 274 CZ ARG A 18 -10.646 -1.356 23.586 1.00 2.35 C ATOM 275 NH1 ARG A 18 -11.852 -1.135 24.031 1.00 2.53 N ATOM 276 NH2 ARG A 18 -9.863 -0.351 23.304 1.00 2.76 N ATOM 0 H ARG A 18 -7.009 -6.249 24.500 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.553 -7.439 23.822 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -9.224 -5.162 24.840 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -8.434 -4.625 23.370 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -10.452 -4.893 22.059 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -11.234 -5.838 23.311 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -12.120 -3.539 23.372 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -11.200 -3.834 24.834 1.00 1.42 H new ATOM 0 HE ARG A 18 -9.282 -2.751 23.068 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -12.466 -1.919 24.251 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -12.181 -0.178 24.159 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -8.920 -0.522 22.955 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -10.194 0.605 23.432 1.00 2.76 H new ATOM 290 N ARG A 19 -9.697 -7.429 21.295 1.00 0.02 N ATOM 291 CA ARG A 19 -9.662 -7.653 19.814 1.00 0.02 C ATOM 292 C ARG A 19 -10.775 -6.839 19.141 1.00 0.02 C ATOM 293 O ARG A 19 -11.832 -6.618 19.699 1.00 0.02 O ATOM 294 CB ARG A 19 -9.872 -9.158 19.538 1.00 0.85 C ATOM 295 CG ARG A 19 -10.455 -9.385 18.130 1.00 1.31 C ATOM 296 CD ARG A 19 -10.292 -10.862 17.714 1.00 1.34 C ATOM 297 NE ARG A 19 -10.130 -11.716 18.925 1.00 1.50 N ATOM 298 CZ ARG A 19 -10.275 -13.009 18.834 1.00 1.63 C ATOM 299 NH1 ARG A 19 -10.556 -13.554 17.683 1.00 1.72 N ATOM 300 NH2 ARG A 19 -10.138 -13.756 19.895 1.00 1.89 N ATOM 0 H ARG A 19 -10.573 -7.694 21.745 1.00 0.02 H new ATOM 0 HA ARG A 19 -8.701 -7.333 19.411 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -8.922 -9.685 19.631 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -10.544 -9.578 20.286 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -11.510 -9.111 18.117 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -9.949 -8.740 17.411 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -11.162 -11.186 17.144 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -9.425 -10.972 17.062 1.00 1.34 H new ATOM 0 HE ARG A 19 -9.906 -11.290 19.824 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -10.662 -12.969 16.854 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -10.669 -14.565 17.612 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -9.918 -13.329 20.795 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -10.251 -14.767 19.825 1.00 1.89 H new ATOM 314 N TYR A 20 -10.539 -6.428 17.924 1.00 0.02 N ATOM 315 CA TYR A 20 -11.562 -5.660 17.151 1.00 0.02 C ATOM 316 C TYR A 20 -11.649 -6.281 15.754 1.00 0.02 C ATOM 317 O TYR A 20 -10.655 -6.438 15.080 1.00 0.02 O ATOM 318 CB TYR A 20 -11.142 -4.189 17.043 1.00 0.02 C ATOM 319 CG TYR A 20 -12.037 -3.477 16.050 1.00 0.01 C ATOM 320 CD1 TYR A 20 -13.416 -3.405 16.279 1.00 0.02 C ATOM 321 CD2 TYR A 20 -11.488 -2.894 14.898 1.00 0.01 C ATOM 322 CE1 TYR A 20 -14.246 -2.752 15.360 1.00 0.02 C ATOM 323 CE2 TYR A 20 -12.320 -2.240 13.981 1.00 0.02 C ATOM 324 CZ TYR A 20 -13.698 -2.170 14.212 1.00 0.02 C ATOM 325 OH TYR A 20 -14.518 -1.527 13.306 1.00 0.01 O ATOM 0 H TYR A 20 -9.666 -6.594 17.423 1.00 0.02 H new ATOM 0 HA TYR A 20 -12.530 -5.703 17.651 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -11.210 -3.708 18.019 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -10.102 -4.120 16.725 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -13.840 -3.854 17.165 1.00 0.02 H new ATOM 0 HD2 TYR A 20 -10.424 -2.950 14.719 1.00 0.01 H new ATOM 0 HE1 TYR A 20 -15.310 -2.698 15.537 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -11.898 -1.789 13.095 1.00 0.02 H new ATOM 0 HH TYR A 20 -14.039 -1.406 12.460 1.00 0.01 H new ATOM 335 N ASP A 21 -12.833 -6.643 15.322 1.00 0.01 N ATOM 336 CA ASP A 21 -13.006 -7.275 13.973 1.00 0.02 C ATOM 337 C ASP A 21 -13.762 -6.320 13.051 1.00 0.00 C ATOM 338 O ASP A 21 -14.716 -5.681 13.449 1.00 0.01 O ATOM 339 CB ASP A 21 -13.809 -8.566 14.133 1.00 0.12 C ATOM 340 CG ASP A 21 -15.031 -8.301 15.015 1.00 0.41 C ATOM 341 OD1 ASP A 21 -15.931 -7.617 14.557 1.00 1.12 O ATOM 342 OD2 ASP A 21 -15.046 -8.789 16.133 1.00 0.56 O ATOM 0 H ASP A 21 -13.697 -6.527 15.851 1.00 0.01 H new ATOM 0 HA ASP A 21 -12.029 -7.493 13.541 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -14.125 -8.934 13.157 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -13.186 -9.341 14.579 1.00 0.12 H new ATOM 347 N CYS A 22 -13.325 -6.213 11.816 1.00 0.01 N ATOM 348 CA CYS A 22 -13.994 -5.290 10.843 1.00 0.00 C ATOM 349 C CYS A 22 -14.263 -6.041 9.530 1.00 0.02 C ATOM 350 O CYS A 22 -13.440 -6.796 9.047 1.00 0.01 O ATOM 351 CB CYS A 22 -13.086 -4.054 10.597 1.00 0.00 C ATOM 352 SG CYS A 22 -11.676 -4.080 11.735 1.00 0.02 S ATOM 0 H CYS A 22 -12.529 -6.729 11.440 1.00 0.01 H new ATOM 0 HA CYS A 22 -14.946 -4.946 11.248 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -12.731 -4.053 9.566 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.660 -3.138 10.737 1.00 0.00 H new ATOM 0 HG CYS A 22 -11.962 -3.385 12.796 1.00 0.02 H new ATOM 358 N ASP A 23 -15.425 -5.830 8.959 1.00 0.01 N ATOM 359 CA ASP A 23 -15.795 -6.512 7.678 1.00 0.02 C ATOM 360 C ASP A 23 -15.996 -5.464 6.582 1.00 0.00 C ATOM 361 O ASP A 23 -16.468 -5.761 5.502 1.00 0.02 O ATOM 362 CB ASP A 23 -17.096 -7.292 7.879 1.00 0.16 C ATOM 363 CG ASP A 23 -17.317 -8.230 6.690 1.00 0.17 C ATOM 364 OD1 ASP A 23 -16.548 -8.150 5.748 1.00 0.20 O ATOM 365 OD2 ASP A 23 -18.253 -9.011 6.744 1.00 0.17 O ATOM 0 H ASP A 23 -16.141 -5.206 9.331 1.00 0.01 H new ATOM 0 HA ASP A 23 -14.998 -7.196 7.385 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -17.049 -7.866 8.805 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -17.935 -6.603 7.973 1.00 0.16 H new ATOM 370 N CYS A 24 -15.626 -4.239 6.845 1.00 0.01 N ATOM 371 CA CYS A 24 -15.775 -3.170 5.821 1.00 0.01 C ATOM 372 C CYS A 24 -14.804 -2.040 6.165 1.00 0.01 C ATOM 373 O CYS A 24 -14.152 -2.074 7.189 1.00 0.01 O ATOM 374 CB CYS A 24 -17.210 -2.638 5.833 1.00 0.62 C ATOM 375 SG CYS A 24 -17.722 -2.329 7.541 1.00 1.23 S ATOM 0 H CYS A 24 -15.225 -3.933 7.732 1.00 0.01 H new ATOM 0 HA CYS A 24 -15.557 -3.566 4.829 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -17.274 -1.719 5.251 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -17.881 -3.359 5.365 1.00 0.62 H new ATOM 0 HG CYS A 24 -18.940 -1.875 7.553 1.00 1.23 H new ATOM 381 N ASP A 25 -14.688 -1.042 5.333 1.00 0.02 N ATOM 382 CA ASP A 25 -13.744 0.070 5.637 1.00 0.01 C ATOM 383 C ASP A 25 -14.144 0.759 6.945 1.00 0.02 C ATOM 384 O ASP A 25 -15.311 0.931 7.236 1.00 0.00 O ATOM 385 CB ASP A 25 -13.805 1.090 4.496 1.00 0.01 C ATOM 386 CG ASP A 25 -12.979 2.327 4.858 1.00 0.01 C ATOM 387 OD1 ASP A 25 -12.189 2.238 5.783 1.00 0.01 O ATOM 388 OD2 ASP A 25 -13.152 3.342 4.202 1.00 0.01 O ATOM 0 H ASP A 25 -15.204 -0.948 4.458 1.00 0.02 H new ATOM 0 HA ASP A 25 -12.735 -0.329 5.739 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -13.424 0.644 3.577 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -14.840 1.376 4.307 1.00 0.01 H new ATOM 393 N CYS A 26 -13.174 1.177 7.723 1.00 0.01 N ATOM 394 CA CYS A 26 -13.471 1.889 9.007 1.00 0.01 C ATOM 395 C CYS A 26 -12.616 3.158 9.066 1.00 0.01 C ATOM 396 O CYS A 26 -11.401 3.102 9.056 1.00 0.01 O ATOM 397 CB CYS A 26 -13.143 0.984 10.198 1.00 0.01 C ATOM 398 SG CYS A 26 -14.027 -0.586 10.024 1.00 0.02 S ATOM 0 H CYS A 26 -12.182 1.054 7.522 1.00 0.01 H new ATOM 0 HA CYS A 26 -14.529 2.148 9.052 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -12.069 0.805 10.248 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -13.428 1.473 11.129 1.00 0.01 H new ATOM 0 HG CYS A 26 -13.821 -1.071 8.835 1.00 0.02 H new ATOM 404 N ALA A 27 -13.241 4.307 9.089 1.00 0.01 N ATOM 405 CA ALA A 27 -12.462 5.577 9.104 1.00 0.01 C ATOM 406 C ALA A 27 -11.902 5.856 10.498 1.00 0.01 C ATOM 407 O ALA A 27 -10.899 6.523 10.650 1.00 0.02 O ATOM 408 CB ALA A 27 -13.365 6.735 8.672 1.00 0.24 C ATOM 0 H ALA A 27 -14.255 4.419 9.098 1.00 0.01 H new ATOM 0 HA ALA A 27 -11.627 5.480 8.410 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -12.795 7.664 8.683 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -13.738 6.550 7.665 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -14.206 6.817 9.360 1.00 0.24 H new ATOM 414 N ASP A 28 -12.538 5.354 11.522 1.00 0.01 N ATOM 415 CA ASP A 28 -12.034 5.590 12.904 1.00 0.02 C ATOM 416 C ASP A 28 -12.482 4.430 13.792 1.00 0.01 C ATOM 417 O ASP A 28 -13.614 4.367 14.227 1.00 0.02 O ATOM 418 CB ASP A 28 -12.607 6.901 13.446 1.00 0.67 C ATOM 419 CG ASP A 28 -12.018 7.183 14.829 1.00 0.90 C ATOM 420 OD1 ASP A 28 -10.887 6.791 15.062 1.00 0.87 O ATOM 421 OD2 ASP A 28 -12.709 7.788 15.633 1.00 1.14 O ATOM 0 H ASP A 28 -13.386 4.790 11.460 1.00 0.01 H new ATOM 0 HA ASP A 28 -10.946 5.656 12.896 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -12.374 7.720 12.766 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -13.693 6.837 13.508 1.00 0.67 H new ATOM 426 N PHE A 29 -11.592 3.511 14.058 1.00 0.02 N ATOM 427 CA PHE A 29 -11.926 2.332 14.917 1.00 0.02 C ATOM 428 C PHE A 29 -11.300 2.509 16.303 1.00 0.00 C ATOM 429 O PHE A 29 -11.271 1.608 17.120 1.00 0.02 O ATOM 430 CB PHE A 29 -11.421 1.047 14.249 1.00 2.87 C ATOM 431 CG PHE A 29 -9.920 0.923 14.391 1.00 3.99 C ATOM 432 CD1 PHE A 29 -9.071 1.759 13.654 1.00 4.68 C ATOM 433 CD2 PHE A 29 -9.377 -0.035 15.258 1.00 4.52 C ATOM 434 CE1 PHE A 29 -7.683 1.636 13.785 1.00 5.85 C ATOM 435 CE2 PHE A 29 -7.991 -0.156 15.386 1.00 5.75 C ATOM 436 CZ PHE A 29 -7.146 0.678 14.652 1.00 6.37 C ATOM 0 H PHE A 29 -10.633 3.526 13.712 1.00 0.02 H new ATOM 0 HA PHE A 29 -13.007 2.258 15.034 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -11.906 0.182 14.701 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -11.692 1.050 13.193 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -9.487 2.498 12.985 1.00 4.68 H new ATOM 0 HD2 PHE A 29 -10.030 -0.680 15.827 1.00 4.52 H new ATOM 0 HE1 PHE A 29 -7.027 2.280 13.218 1.00 5.85 H new ATOM 0 HE2 PHE A 29 -7.573 -0.895 16.053 1.00 5.75 H new ATOM 0 HZ PHE A 29 -6.075 0.584 14.754 1.00 6.37 H new ATOM 446 N ARG A 30 -10.768 3.674 16.551 1.00 0.01 N ATOM 447 CA ARG A 30 -10.110 3.950 17.856 1.00 0.00 C ATOM 448 C ARG A 30 -11.092 3.739 19.010 1.00 0.01 C ATOM 449 O ARG A 30 -10.689 3.513 20.135 1.00 0.02 O ATOM 450 CB ARG A 30 -9.611 5.395 17.877 1.00 0.32 C ATOM 451 CG ARG A 30 -8.599 5.599 16.748 1.00 0.86 C ATOM 452 CD ARG A 30 -8.177 7.067 16.694 1.00 1.62 C ATOM 453 NE ARG A 30 -7.475 7.430 17.956 1.00 2.25 N ATOM 454 CZ ARG A 30 -6.775 8.530 18.020 1.00 2.70 C ATOM 455 NH1 ARG A 30 -6.692 9.311 16.977 1.00 3.11 N ATOM 456 NH2 ARG A 30 -6.159 8.850 19.125 1.00 3.02 N ATOM 0 H ARG A 30 -10.762 4.455 15.895 1.00 0.01 H new ATOM 0 HA ARG A 30 -9.272 3.263 17.977 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.449 6.082 17.758 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -9.149 5.618 18.839 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -7.727 4.966 16.909 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -9.037 5.301 15.795 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -7.522 7.237 15.840 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -9.052 7.703 16.556 1.00 1.62 H new ATOM 0 HE ARG A 30 -7.541 6.819 18.770 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -7.174 9.061 16.113 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -6.145 10.171 17.026 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -6.224 8.240 19.940 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -5.612 9.710 19.174 1.00 3.02 H new ATOM 470 N SER A 31 -12.373 3.825 18.762 1.00 0.02 N ATOM 471 CA SER A 31 -13.359 3.645 19.867 1.00 0.02 C ATOM 472 C SER A 31 -13.464 2.167 20.248 1.00 0.01 C ATOM 473 O SER A 31 -13.971 1.822 21.297 1.00 0.02 O ATOM 474 CB SER A 31 -14.727 4.146 19.406 1.00 0.37 C ATOM 475 OG SER A 31 -15.097 3.468 18.212 1.00 0.88 O ATOM 0 H SER A 31 -12.778 4.012 17.844 1.00 0.02 H new ATOM 0 HA SER A 31 -13.027 4.212 20.737 1.00 0.02 H new ATOM 0 HB2 SER A 31 -15.472 3.972 20.183 1.00 0.37 H new ATOM 0 HB3 SER A 31 -14.694 5.221 19.232 1.00 0.37 H new ATOM 0 HG SER A 31 -15.975 3.786 17.914 1.00 0.88 H new ATOM 481 N TYR A 32 -12.999 1.292 19.394 1.00 0.01 N ATOM 482 CA TYR A 32 -13.078 -0.173 19.683 1.00 0.01 C ATOM 483 C TYR A 32 -11.703 -0.679 20.106 1.00 0.02 C ATOM 484 O TYR A 32 -11.577 -1.697 20.756 1.00 0.02 O ATOM 485 CB TYR A 32 -13.511 -0.905 18.410 1.00 0.02 C ATOM 486 CG TYR A 32 -14.909 -0.473 18.029 1.00 0.02 C ATOM 487 CD1 TYR A 32 -16.002 -0.883 18.802 1.00 0.01 C ATOM 488 CD2 TYR A 32 -15.113 0.335 16.902 1.00 0.01 C ATOM 489 CE1 TYR A 32 -17.298 -0.487 18.449 1.00 0.00 C ATOM 490 CE2 TYR A 32 -16.408 0.732 16.551 1.00 0.02 C ATOM 491 CZ TYR A 32 -17.501 0.321 17.324 1.00 0.02 C ATOM 492 OH TYR A 32 -18.779 0.711 16.976 1.00 0.02 O ATOM 0 H TYR A 32 -12.565 1.531 18.502 1.00 0.01 H new ATOM 0 HA TYR A 32 -13.796 -0.355 20.482 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -12.817 -0.686 17.598 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -13.483 -1.983 18.570 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -15.846 -1.505 19.671 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -14.271 0.651 16.305 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -18.141 -0.805 19.045 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -16.565 1.356 15.683 1.00 0.02 H new ATOM 0 HH TYR A 32 -18.743 1.269 16.171 1.00 0.02 H new ATOM 502 N LEU A 33 -10.664 0.020 19.736 1.00 0.02 N ATOM 503 CA LEU A 33 -9.284 -0.422 20.105 1.00 0.02 C ATOM 504 C LEU A 33 -8.389 0.819 20.253 1.00 0.02 C ATOM 505 O LEU A 33 -8.329 1.672 19.392 1.00 0.02 O ATOM 506 CB LEU A 33 -8.744 -1.325 18.974 1.00 1.66 C ATOM 507 CG LEU A 33 -7.897 -2.475 19.559 1.00 2.38 C ATOM 508 CD1 LEU A 33 -8.792 -3.477 20.325 1.00 3.32 C ATOM 509 CD2 LEU A 33 -7.173 -3.207 18.420 1.00 2.80 C ATOM 0 H LEU A 33 -10.710 0.882 19.192 1.00 0.02 H new ATOM 0 HA LEU A 33 -9.293 -0.974 21.045 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -9.575 -1.734 18.399 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -8.140 -0.734 18.286 1.00 1.66 H new ATOM 0 HG LEU A 33 -7.169 -2.054 20.253 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -8.176 -4.280 20.729 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -9.299 -2.962 21.141 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -9.533 -3.896 19.645 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -6.574 -4.019 18.832 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -7.907 -3.614 17.724 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -6.523 -2.508 17.894 1.00 2.80 H new ATOM 521 N SER A 34 -7.713 0.918 21.367 1.00 0.02 N ATOM 522 CA SER A 34 -6.833 2.097 21.623 1.00 0.02 C ATOM 523 C SER A 34 -5.435 1.876 21.034 1.00 0.00 C ATOM 524 O SER A 34 -4.626 2.781 20.985 1.00 0.01 O ATOM 525 CB SER A 34 -6.717 2.309 23.132 1.00 0.02 C ATOM 526 OG SER A 34 -8.019 2.432 23.690 1.00 0.02 O ATOM 0 H SER A 34 -7.733 0.227 22.117 1.00 0.02 H new ATOM 0 HA SER A 34 -7.272 2.974 21.147 1.00 0.02 H new ATOM 0 HB2 SER A 34 -6.190 1.471 23.589 1.00 0.02 H new ATOM 0 HB3 SER A 34 -6.133 3.205 23.341 1.00 0.02 H new ATOM 0 HG SER A 34 -7.949 2.566 24.658 1.00 0.02 H new ATOM 532 N ARG A 35 -5.140 0.684 20.595 1.00 0.02 N ATOM 533 CA ARG A 35 -3.793 0.398 20.019 1.00 0.01 C ATOM 534 C ARG A 35 -3.840 -1.000 19.399 1.00 0.02 C ATOM 535 O ARG A 35 -4.699 -1.794 19.719 1.00 0.02 O ATOM 536 CB ARG A 35 -2.752 0.440 21.147 1.00 0.02 C ATOM 537 CG ARG A 35 -1.414 -0.145 20.674 1.00 0.02 C ATOM 538 CD ARG A 35 -0.347 0.071 21.756 1.00 0.02 C ATOM 539 NE ARG A 35 0.745 -0.926 21.577 1.00 0.02 N ATOM 540 CZ ARG A 35 1.884 -0.763 22.193 1.00 0.02 C ATOM 541 NH1 ARG A 35 2.062 0.270 22.971 1.00 0.00 N ATOM 542 NH2 ARG A 35 2.844 -1.632 22.032 1.00 0.02 N ATOM 0 H ARG A 35 -5.778 -0.111 20.610 1.00 0.02 H new ATOM 0 HA ARG A 35 -3.523 1.134 19.262 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -2.608 1.469 21.477 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -3.117 -0.123 22.006 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -1.524 -1.209 20.465 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -1.105 0.332 19.744 1.00 0.02 H new ATOM 0 HD2 ARG A 35 0.054 1.082 21.691 1.00 0.02 H new ATOM 0 HD3 ARG A 35 -0.791 -0.032 22.746 1.00 0.02 H new ATOM 0 HE ARG A 35 0.603 -1.736 20.973 1.00 0.02 H new ATOM 0 HH11 ARG A 35 1.311 0.949 23.097 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.952 0.398 23.453 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.705 -2.439 21.424 1.00 0.02 H new ATOM 0 HH22 ARG A 35 3.734 -1.504 22.514 1.00 0.02 H new ATOM 556 N CYS A 36 -2.919 -1.324 18.525 1.00 0.02 N ATOM 557 CA CYS A 36 -2.910 -2.687 17.911 1.00 0.02 C ATOM 558 C CYS A 36 -1.461 -3.137 17.731 1.00 0.02 C ATOM 559 O CYS A 36 -0.719 -2.519 16.992 1.00 0.02 O ATOM 560 CB CYS A 36 -3.596 -2.650 16.547 1.00 0.02 C ATOM 561 SG CYS A 36 -3.314 -4.225 15.701 1.00 0.02 S ATOM 0 H CYS A 36 -2.173 -0.703 18.211 1.00 0.02 H new ATOM 0 HA CYS A 36 -3.444 -3.381 18.560 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -4.665 -2.474 16.668 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -3.203 -1.827 15.950 1.00 0.02 H new ATOM 0 HG CYS A 36 -3.253 -5.183 16.577 1.00 0.02 H new ATOM 567 N ASN A 37 -1.029 -4.181 18.404 1.00 0.02 N ATOM 568 CA ASN A 37 0.400 -4.624 18.265 1.00 0.01 C ATOM 569 C ASN A 37 0.477 -5.930 17.467 1.00 0.02 C ATOM 570 O ASN A 37 1.539 -6.473 17.232 1.00 0.02 O ATOM 571 CB ASN A 37 1.015 -4.834 19.658 1.00 0.02 C ATOM 572 CG ASN A 37 2.543 -4.791 19.567 1.00 0.01 C ATOM 573 OD1 ASN A 37 3.094 -4.452 18.539 1.00 0.03 O ATOM 574 ND2 ASN A 37 3.256 -5.116 20.611 1.00 0.02 N ATOM 0 H ASN A 37 -1.598 -4.741 19.038 1.00 0.02 H new ATOM 0 HA ASN A 37 0.957 -3.852 17.733 1.00 0.01 H new ATOM 0 HB2 ASN A 37 0.661 -4.062 20.341 1.00 0.02 H new ATOM 0 HB3 ASN A 37 0.693 -5.792 20.066 1.00 0.02 H new ATOM 0 HD21 ASN A 37 4.274 -5.085 20.563 1.00 0.02 H new ATOM 0 HD22 ASN A 37 2.795 -5.401 21.475 1.00 0.02 H new ATOM 581 N SER A 38 -0.652 -6.415 17.028 1.00 0.02 N ATOM 582 CA SER A 38 -0.691 -7.660 16.213 1.00 0.02 C ATOM 583 C SER A 38 -1.980 -7.632 15.392 1.00 0.01 C ATOM 584 O SER A 38 -2.946 -6.998 15.768 1.00 0.02 O ATOM 585 CB SER A 38 -0.663 -8.897 17.113 1.00 0.01 C ATOM 586 OG SER A 38 -1.202 -10.006 16.407 1.00 0.02 O ATOM 0 H SER A 38 -1.564 -5.993 17.203 1.00 0.02 H new ATOM 0 HA SER A 38 0.180 -7.710 15.560 1.00 0.02 H new ATOM 0 HB2 SER A 38 0.360 -9.112 17.423 1.00 0.01 H new ATOM 0 HB3 SER A 38 -1.240 -8.714 18.020 1.00 0.01 H new ATOM 0 HG SER A 38 -0.704 -10.136 15.573 1.00 0.02 H new ATOM 592 N ILE A 39 -2.006 -8.291 14.262 1.00 0.02 N ATOM 593 CA ILE A 39 -3.240 -8.270 13.411 1.00 0.02 C ATOM 594 C ILE A 39 -3.414 -9.620 12.713 1.00 0.02 C ATOM 595 O ILE A 39 -2.463 -10.271 12.333 1.00 0.02 O ATOM 596 CB ILE A 39 -3.105 -7.182 12.329 1.00 0.00 C ATOM 597 CG1 ILE A 39 -3.090 -5.791 12.984 1.00 0.01 C ATOM 598 CG2 ILE A 39 -4.294 -7.277 11.357 1.00 0.01 C ATOM 599 CD1 ILE A 39 -2.827 -4.718 11.924 1.00 0.00 C ATOM 0 H ILE A 39 -1.231 -8.841 13.891 1.00 0.02 H new ATOM 0 HA ILE A 39 -4.100 -8.065 14.049 1.00 0.02 H new ATOM 0 HB ILE A 39 -2.173 -7.332 11.785 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.044 -5.601 13.477 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -2.319 -5.750 13.754 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -4.200 -6.508 10.591 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -4.301 -8.260 10.886 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -5.225 -7.131 11.905 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -2.818 -3.735 12.395 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.862 -4.903 11.451 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.613 -4.751 11.170 1.00 0.00 H new ATOM 611 N ARG A 40 -4.648 -10.003 12.494 1.00 0.02 N ATOM 612 CA ARG A 40 -4.950 -11.268 11.760 1.00 0.02 C ATOM 613 C ARG A 40 -5.856 -10.912 10.580 1.00 0.01 C ATOM 614 O ARG A 40 -6.916 -10.348 10.761 1.00 0.02 O ATOM 615 CB ARG A 40 -5.670 -12.278 12.653 1.00 0.01 C ATOM 616 CG ARG A 40 -5.851 -13.592 11.890 1.00 0.02 C ATOM 617 CD ARG A 40 -6.299 -14.690 12.857 1.00 0.02 C ATOM 618 NE ARG A 40 -7.362 -14.157 13.757 1.00 0.02 N ATOM 619 CZ ARG A 40 -8.106 -14.977 14.448 1.00 0.02 C ATOM 620 NH1 ARG A 40 -7.924 -16.266 14.349 1.00 0.02 N ATOM 621 NH2 ARG A 40 -9.032 -14.508 15.237 1.00 0.02 N ATOM 0 H ARG A 40 -5.471 -9.483 12.798 1.00 0.02 H new ATOM 0 HA ARG A 40 -4.016 -11.722 11.430 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -5.096 -12.449 13.563 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -6.640 -11.885 12.957 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -6.590 -13.466 11.099 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -4.915 -13.877 11.409 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -6.676 -15.548 12.300 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -5.451 -15.039 13.446 1.00 0.02 H new ATOM 0 HE ARG A 40 -7.508 -13.150 13.833 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -7.200 -16.633 13.731 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -8.506 -16.906 14.889 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -9.175 -13.501 15.314 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -9.614 -15.148 15.777 1.00 0.02 H new ATOM 635 N VAL A 41 -5.482 -11.274 9.381 1.00 0.02 N ATOM 636 CA VAL A 41 -6.364 -10.999 8.207 1.00 0.01 C ATOM 637 C VAL A 41 -6.992 -12.326 7.802 1.00 0.02 C ATOM 638 O VAL A 41 -6.309 -13.240 7.388 1.00 0.02 O ATOM 639 CB VAL A 41 -5.547 -10.412 7.063 1.00 0.01 C ATOM 640 CG1 VAL A 41 -6.493 -10.004 5.931 1.00 0.02 C ATOM 641 CG2 VAL A 41 -4.809 -9.171 7.565 1.00 0.00 C ATOM 0 H VAL A 41 -4.605 -11.748 9.163 1.00 0.02 H new ATOM 0 HA VAL A 41 -7.138 -10.273 8.457 1.00 0.01 H new ATOM 0 HB VAL A 41 -4.832 -11.150 6.701 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -5.915 -9.583 5.108 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -7.039 -10.879 5.580 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -7.199 -9.259 6.298 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -4.221 -8.744 6.753 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.532 -8.435 7.916 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.147 -9.448 8.385 1.00 0.00 H new ATOM 651 N GLU A 42 -8.286 -12.451 7.946 1.00 0.01 N ATOM 652 CA GLU A 42 -8.951 -13.737 7.602 1.00 0.01 C ATOM 653 C GLU A 42 -9.232 -13.785 6.108 1.00 0.02 C ATOM 654 O GLU A 42 -9.182 -14.835 5.499 1.00 0.01 O ATOM 655 CB GLU A 42 -10.264 -13.862 8.385 1.00 0.99 C ATOM 656 CG GLU A 42 -10.729 -15.322 8.406 1.00 1.86 C ATOM 657 CD GLU A 42 -11.128 -15.753 6.994 1.00 3.10 C ATOM 658 OE1 GLU A 42 -11.978 -15.098 6.415 1.00 3.81 O ATOM 659 OE2 GLU A 42 -10.576 -16.731 6.517 1.00 3.67 O ATOM 0 H GLU A 42 -8.908 -11.718 8.287 1.00 0.01 H new ATOM 0 HA GLU A 42 -8.295 -14.566 7.868 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -10.124 -13.502 9.404 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -11.030 -13.235 7.928 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -9.931 -15.963 8.781 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -11.575 -15.435 9.084 1.00 1.86 H new ATOM 666 N GLY A 43 -9.537 -12.674 5.498 1.00 0.01 N ATOM 667 CA GLY A 43 -9.824 -12.718 4.039 1.00 0.02 C ATOM 668 C GLY A 43 -9.721 -11.325 3.431 1.00 0.02 C ATOM 669 O GLY A 43 -10.017 -10.339 4.076 1.00 0.02 O ATOM 0 H GLY A 43 -9.599 -11.755 5.936 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -9.122 -13.389 3.545 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -10.823 -13.121 3.871 1.00 0.02 H new ATOM 673 N GLY A 44 -9.332 -11.236 2.191 1.00 0.00 N ATOM 674 CA GLY A 44 -9.235 -9.900 1.542 1.00 0.01 C ATOM 675 C GLY A 44 -7.890 -9.251 1.879 1.00 0.01 C ATOM 676 O GLY A 44 -7.140 -9.737 2.702 1.00 0.01 O ATOM 0 H GLY A 44 -9.078 -12.028 1.600 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.338 -10.003 0.462 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -10.051 -9.262 1.881 1.00 0.01 H new ATOM 680 N THR A 45 -7.617 -8.126 1.275 1.00 0.01 N ATOM 681 CA THR A 45 -6.354 -7.377 1.571 1.00 0.00 C ATOM 682 C THR A 45 -6.743 -6.003 2.107 1.00 0.01 C ATOM 683 O THR A 45 -7.662 -5.391 1.611 1.00 0.01 O ATOM 684 CB THR A 45 -5.527 -7.214 0.293 1.00 0.73 C ATOM 685 OG1 THR A 45 -5.042 -8.483 -0.121 1.00 0.88 O ATOM 686 CG2 THR A 45 -4.344 -6.275 0.559 1.00 1.48 C ATOM 0 H THR A 45 -8.220 -7.686 0.580 1.00 0.01 H new ATOM 0 HA THR A 45 -5.755 -7.921 2.302 1.00 0.00 H new ATOM 0 HB THR A 45 -6.154 -6.790 -0.491 1.00 0.73 H new ATOM 0 HG1 THR A 45 -4.514 -8.380 -0.940 1.00 0.88 H new ATOM 0 HG21 THR A 45 -3.758 -6.161 -0.353 1.00 1.48 H new ATOM 0 HG22 THR A 45 -4.717 -5.301 0.875 1.00 1.48 H new ATOM 0 HG23 THR A 45 -3.716 -6.695 1.345 1.00 1.48 H new ATOM 694 N TRP A 46 -6.106 -5.534 3.152 1.00 0.02 N ATOM 695 CA TRP A 46 -6.510 -4.219 3.752 1.00 0.01 C ATOM 696 C TRP A 46 -5.347 -3.229 3.807 1.00 0.01 C ATOM 697 O TRP A 46 -4.193 -3.584 3.924 1.00 0.01 O ATOM 698 CB TRP A 46 -6.982 -4.468 5.186 1.00 0.00 C ATOM 699 CG TRP A 46 -8.213 -5.317 5.177 1.00 0.01 C ATOM 700 CD1 TRP A 46 -8.277 -6.593 4.735 1.00 0.01 C ATOM 701 CD2 TRP A 46 -9.552 -4.972 5.634 1.00 0.01 C ATOM 702 NE1 TRP A 46 -9.573 -7.053 4.888 1.00 0.00 N ATOM 703 CE2 TRP A 46 -10.396 -6.091 5.438 1.00 0.01 C ATOM 704 CE3 TRP A 46 -10.111 -3.809 6.191 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -11.748 -6.055 5.786 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -11.469 -3.770 6.543 1.00 0.02 C ATOM 707 CH2 TRP A 46 -12.285 -4.892 6.340 1.00 0.01 C ATOM 0 H TRP A 46 -5.327 -6.001 3.616 1.00 0.02 H new ATOM 0 HA TRP A 46 -7.296 -3.793 3.128 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -6.195 -4.960 5.757 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -7.188 -3.519 5.680 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -7.452 -7.160 4.329 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -9.882 -7.989 4.626 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -9.491 -2.939 6.349 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -12.374 -6.921 5.628 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -11.887 -2.872 6.972 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -13.329 -4.856 6.612 1.00 0.01 H new ATOM 718 N ALA A 47 -5.685 -1.967 3.789 1.00 0.01 N ATOM 719 CA ALA A 47 -4.670 -0.884 3.913 1.00 0.01 C ATOM 720 C ALA A 47 -4.872 -0.312 5.309 1.00 0.01 C ATOM 721 O ALA A 47 -5.980 -0.015 5.709 1.00 0.01 O ATOM 722 CB ALA A 47 -4.909 0.191 2.849 1.00 0.24 C ATOM 0 H ALA A 47 -6.645 -1.636 3.691 1.00 0.01 H new ATOM 0 HA ALA A 47 -3.654 -1.251 3.767 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -4.160 0.977 2.951 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -4.834 -0.255 1.857 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -5.903 0.618 2.980 1.00 0.24 H new ATOM 728 N VAL A 48 -3.805 -0.139 6.048 1.00 0.01 N ATOM 729 CA VAL A 48 -3.914 0.436 7.424 1.00 0.02 C ATOM 730 C VAL A 48 -3.131 1.746 7.477 1.00 0.01 C ATOM 731 O VAL A 48 -2.086 1.869 6.872 1.00 0.01 O ATOM 732 CB VAL A 48 -3.349 -0.554 8.445 1.00 0.09 C ATOM 733 CG1 VAL A 48 -4.188 -1.833 8.432 1.00 0.48 C ATOM 734 CG2 VAL A 48 -1.903 -0.897 8.079 1.00 0.65 C ATOM 0 H VAL A 48 -2.856 -0.373 5.755 1.00 0.01 H new ATOM 0 HA VAL A 48 -4.960 0.626 7.663 1.00 0.02 H new ATOM 0 HB VAL A 48 -3.378 -0.105 9.438 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -3.786 -2.539 9.159 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -5.220 -1.594 8.690 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -4.157 -2.279 7.438 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -1.501 -1.602 8.807 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -1.876 -1.345 7.086 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -1.301 0.012 8.084 1.00 0.65 H new ATOM 744 N TYR A 49 -3.634 2.727 8.185 1.00 0.01 N ATOM 745 CA TYR A 49 -2.927 4.047 8.270 1.00 0.01 C ATOM 746 C TYR A 49 -2.612 4.372 9.728 1.00 0.01 C ATOM 747 O TYR A 49 -3.327 4.009 10.644 1.00 0.02 O ATOM 748 CB TYR A 49 -3.817 5.134 7.670 1.00 0.01 C ATOM 749 CG TYR A 49 -4.074 4.816 6.214 1.00 0.00 C ATOM 750 CD1 TYR A 49 -4.943 3.773 5.869 1.00 0.01 C ATOM 751 CD2 TYR A 49 -3.444 5.561 5.208 1.00 0.01 C ATOM 752 CE1 TYR A 49 -5.182 3.477 4.522 1.00 0.01 C ATOM 753 CE2 TYR A 49 -3.685 5.265 3.860 1.00 0.01 C ATOM 754 CZ TYR A 49 -4.554 4.223 3.518 1.00 0.02 C ATOM 755 OH TYR A 49 -4.791 3.930 2.190 1.00 0.01 O ATOM 0 H TYR A 49 -4.507 2.672 8.710 1.00 0.01 H new ATOM 0 HA TYR A 49 -1.992 3.998 7.712 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -4.760 5.191 8.214 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -3.336 6.108 7.763 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -5.429 3.197 6.643 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -2.772 6.364 5.472 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -5.852 2.672 4.257 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -3.200 5.841 3.085 1.00 0.01 H new ATOM 0 HH TYR A 49 -4.480 4.672 1.631 1.00 0.01 H new ATOM 765 N GLU A 50 -1.500 5.023 9.936 1.00 0.01 N ATOM 766 CA GLU A 50 -1.049 5.358 11.313 1.00 0.01 C ATOM 767 C GLU A 50 -1.984 6.375 11.967 1.00 0.01 C ATOM 768 O GLU A 50 -2.189 6.338 13.165 1.00 0.02 O ATOM 769 CB GLU A 50 0.360 5.952 11.231 1.00 0.02 C ATOM 770 CG GLU A 50 0.951 6.084 12.636 1.00 0.01 C ATOM 771 CD GLU A 50 2.453 6.351 12.530 1.00 0.02 C ATOM 772 OE1 GLU A 50 2.820 7.292 11.845 1.00 0.01 O ATOM 773 OE2 GLU A 50 3.212 5.609 13.132 1.00 0.02 O ATOM 0 H GLU A 50 -0.875 5.342 9.195 1.00 0.01 H new ATOM 0 HA GLU A 50 -1.055 4.451 11.917 1.00 0.01 H new ATOM 0 HB2 GLU A 50 0.997 5.316 10.617 1.00 0.02 H new ATOM 0 HB3 GLU A 50 0.325 6.929 10.748 1.00 0.02 H new ATOM 0 HG2 GLU A 50 0.463 6.897 13.173 1.00 0.01 H new ATOM 0 HG3 GLU A 50 0.771 5.172 13.206 1.00 0.01 H new ATOM 780 N ARG A 51 -2.534 7.302 11.211 1.00 0.02 N ATOM 781 CA ARG A 51 -3.432 8.341 11.818 1.00 0.02 C ATOM 782 C ARG A 51 -4.802 8.306 11.112 1.00 0.01 C ATOM 783 O ARG A 51 -4.886 7.915 9.960 1.00 0.02 O ATOM 784 CB ARG A 51 -2.772 9.712 11.578 1.00 0.02 C ATOM 785 CG ARG A 51 -1.483 9.833 12.413 1.00 0.01 C ATOM 786 CD ARG A 51 -1.805 10.344 13.823 1.00 0.02 C ATOM 787 NE ARG A 51 -0.672 10.018 14.734 1.00 0.02 N ATOM 788 CZ ARG A 51 -0.578 10.605 15.895 1.00 0.02 C ATOM 789 NH1 ARG A 51 -1.481 11.469 16.266 1.00 0.02 N ATOM 790 NH2 ARG A 51 0.421 10.328 16.688 1.00 0.01 N ATOM 0 H ARG A 51 -2.400 7.383 10.203 1.00 0.02 H new ATOM 0 HA ARG A 51 -3.576 8.158 12.883 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -2.541 9.833 10.520 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -3.465 10.510 11.847 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -0.990 8.863 12.475 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -0.787 10.514 11.923 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -1.973 11.421 13.803 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -2.724 9.885 14.188 1.00 0.02 H new ATOM 0 HE ARG A 51 0.031 9.335 14.450 1.00 0.02 H new ATOM 0 HH11 ARG A 51 -2.263 11.687 15.648 1.00 0.02 H new ATOM 0 HH12 ARG A 51 -1.406 11.927 17.174 1.00 0.02 H new ATOM 0 HH21 ARG A 51 1.129 9.652 16.400 1.00 0.01 H new ATOM 0 HH22 ARG A 51 0.494 10.787 17.596 1.00 0.01 H new ATOM 804 N PRO A 52 -5.869 8.718 11.788 1.00 0.02 N ATOM 805 CA PRO A 52 -7.232 8.713 11.176 1.00 0.02 C ATOM 806 C PRO A 52 -7.287 9.418 9.813 1.00 0.01 C ATOM 807 O PRO A 52 -6.389 10.132 9.415 1.00 0.02 O ATOM 808 CB PRO A 52 -8.087 9.458 12.227 1.00 0.02 C ATOM 809 CG PRO A 52 -7.190 9.816 13.428 1.00 0.01 C ATOM 810 CD PRO A 52 -5.801 9.197 13.204 1.00 0.01 C ATOM 0 HA PRO A 52 -7.578 7.702 10.960 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -8.517 10.361 11.794 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -8.919 8.832 12.550 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -7.110 10.898 13.531 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -7.627 9.439 14.353 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -5.006 9.929 13.344 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -5.607 8.379 13.898 1.00 0.01 H new ATOM 818 N ASN A 53 -8.385 9.221 9.132 1.00 0.02 N ATOM 819 CA ASN A 53 -8.609 9.870 7.810 1.00 0.02 C ATOM 820 C ASN A 53 -7.589 9.389 6.781 1.00 0.01 C ATOM 821 O ASN A 53 -7.139 10.130 5.932 1.00 0.01 O ATOM 822 CB ASN A 53 -8.513 11.391 7.969 1.00 0.01 C ATOM 823 CG ASN A 53 -9.159 12.075 6.762 1.00 0.02 C ATOM 824 OD1 ASN A 53 -10.365 12.214 6.701 1.00 0.02 O ATOM 825 ND2 ASN A 53 -8.403 12.510 5.791 1.00 0.01 N ATOM 0 H ASN A 53 -9.151 8.625 9.445 1.00 0.02 H new ATOM 0 HA ASN A 53 -9.602 9.597 7.453 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -9.012 11.703 8.887 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -7.469 11.693 8.055 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -8.824 12.966 4.982 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -7.391 12.394 5.841 1.00 0.01 H new ATOM 832 N PHE A 54 -7.242 8.133 6.849 1.00 0.02 N ATOM 833 CA PHE A 54 -6.276 7.556 5.877 1.00 0.01 C ATOM 834 C PHE A 54 -5.082 8.494 5.692 1.00 0.01 C ATOM 835 O PHE A 54 -4.703 8.833 4.588 1.00 0.02 O ATOM 836 CB PHE A 54 -6.983 7.326 4.528 1.00 1.78 C ATOM 837 CG PHE A 54 -8.448 7.019 4.763 1.00 2.32 C ATOM 838 CD1 PHE A 54 -8.814 5.938 5.572 1.00 2.53 C ATOM 839 CD2 PHE A 54 -9.440 7.817 4.173 1.00 2.77 C ATOM 840 CE1 PHE A 54 -10.168 5.653 5.792 1.00 3.03 C ATOM 841 CE2 PHE A 54 -10.793 7.531 4.393 1.00 3.32 C ATOM 842 CZ PHE A 54 -11.156 6.449 5.203 1.00 3.39 C ATOM 0 H PHE A 54 -7.592 7.476 7.546 1.00 0.02 H new ATOM 0 HA PHE A 54 -5.909 6.604 6.260 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -6.884 8.211 3.899 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -6.510 6.501 3.995 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -8.052 5.323 6.027 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -9.160 8.653 3.549 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -10.449 4.818 6.417 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -11.556 8.145 3.938 1.00 3.32 H new ATOM 0 HZ PHE A 54 -12.199 6.228 5.373 1.00 3.39 H new ATOM 852 N SER A 55 -4.492 8.909 6.787 1.00 0.02 N ATOM 853 CA SER A 55 -3.311 9.831 6.725 1.00 0.02 C ATOM 854 C SER A 55 -2.138 9.221 7.495 1.00 0.01 C ATOM 855 O SER A 55 -2.304 8.296 8.267 1.00 0.01 O ATOM 856 CB SER A 55 -3.690 11.169 7.356 1.00 1.90 C ATOM 857 OG SER A 55 -2.573 12.045 7.301 1.00 2.33 O ATOM 0 H SER A 55 -4.780 8.647 7.730 1.00 0.02 H new ATOM 0 HA SER A 55 -3.019 9.980 5.685 1.00 0.02 H new ATOM 0 HB2 SER A 55 -4.537 11.607 6.828 1.00 1.90 H new ATOM 0 HB3 SER A 55 -4.001 11.022 8.390 1.00 1.90 H new ATOM 0 HG SER A 55 -2.812 12.906 7.703 1.00 2.33 H new ATOM 863 N GLY A 56 -0.948 9.718 7.275 1.00 0.02 N ATOM 864 CA GLY A 56 0.246 9.159 7.977 1.00 0.02 C ATOM 865 C GLY A 56 0.809 7.983 7.171 1.00 0.02 C ATOM 866 O GLY A 56 0.529 7.837 5.997 1.00 0.00 O ATOM 0 H GLY A 56 -0.751 10.489 6.637 1.00 0.02 H new ATOM 0 HA2 GLY A 56 1.007 9.931 8.094 1.00 0.02 H new ATOM 0 HA3 GLY A 56 -0.029 8.829 8.979 1.00 0.02 H new ATOM 870 N HIS A 57 1.609 7.147 7.777 1.00 0.02 N ATOM 871 CA HIS A 57 2.189 5.998 7.020 1.00 0.02 C ATOM 872 C HIS A 57 1.084 5.011 6.646 1.00 0.01 C ATOM 873 O HIS A 57 0.222 4.710 7.447 1.00 0.01 O ATOM 874 CB HIS A 57 3.234 5.287 7.883 1.00 0.00 C ATOM 875 CG HIS A 57 4.423 6.188 8.073 1.00 0.01 C ATOM 876 ND1 HIS A 57 5.529 6.135 7.240 1.00 0.01 N ATOM 877 CD2 HIS A 57 4.696 7.165 8.997 1.00 0.01 C ATOM 878 CE1 HIS A 57 6.409 7.054 7.675 1.00 0.02 C ATOM 879 NE2 HIS A 57 5.952 7.711 8.744 1.00 0.01 N ATOM 0 H HIS A 57 1.885 7.208 8.757 1.00 0.02 H new ATOM 0 HA HIS A 57 2.660 6.373 6.112 1.00 0.02 H new ATOM 0 HB2 HIS A 57 2.805 5.024 8.850 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.542 4.356 7.407 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.037 7.465 9.798 1.00 0.01 H new ATOM 0 HE1 HIS A 57 7.369 7.238 7.216 1.00 0.02 H new ATOM 0 HE2 HIS A 57 6.422 8.453 9.263 1.00 0.01 H new ATOM 887 N MET A 58 1.115 4.498 5.436 1.00 0.02 N ATOM 888 CA MET A 58 0.075 3.513 4.992 1.00 0.02 C ATOM 889 C MET A 58 0.748 2.185 4.631 1.00 0.01 C ATOM 890 O MET A 58 1.792 2.151 4.010 1.00 0.01 O ATOM 891 CB MET A 58 -0.653 4.068 3.767 1.00 2.61 C ATOM 892 CG MET A 58 0.339 4.259 2.619 1.00 3.46 C ATOM 893 SD MET A 58 -0.402 5.332 1.364 1.00 4.50 S ATOM 894 CE MET A 58 -1.644 4.159 0.766 1.00 5.01 C ATOM 0 H MET A 58 1.820 4.721 4.734 1.00 0.02 H new ATOM 0 HA MET A 58 -0.640 3.347 5.798 1.00 0.02 H new ATOM 0 HB2 MET A 58 -1.447 3.386 3.464 1.00 2.61 H new ATOM 0 HB3 MET A 58 -1.126 5.019 4.013 1.00 2.61 H new ATOM 0 HG2 MET A 58 1.264 4.700 2.991 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.599 3.294 2.183 1.00 3.46 H new ATOM 0 HE1 MET A 58 -2.157 4.581 -0.098 1.00 5.01 H new ATOM 0 HE2 MET A 58 -1.156 3.227 0.480 1.00 5.01 H new ATOM 0 HE3 MET A 58 -2.368 3.961 1.556 1.00 5.01 H new ATOM 904 N TYR A 59 0.154 1.088 5.031 1.00 0.02 N ATOM 905 CA TYR A 59 0.735 -0.264 4.738 1.00 0.01 C ATOM 906 C TYR A 59 -0.359 -1.189 4.199 1.00 0.01 C ATOM 907 O TYR A 59 -1.479 -1.193 4.669 1.00 0.02 O ATOM 908 CB TYR A 59 1.288 -0.868 6.026 1.00 0.01 C ATOM 909 CG TYR A 59 2.482 -0.071 6.492 1.00 0.01 C ATOM 910 CD1 TYR A 59 3.752 -0.337 5.965 1.00 0.01 C ATOM 911 CD2 TYR A 59 2.322 0.930 7.459 1.00 0.01 C ATOM 912 CE1 TYR A 59 4.860 0.397 6.403 1.00 0.02 C ATOM 913 CE2 TYR A 59 3.431 1.664 7.897 1.00 0.01 C ATOM 914 CZ TYR A 59 4.699 1.397 7.370 1.00 0.01 C ATOM 915 OH TYR A 59 5.792 2.122 7.802 1.00 0.01 O ATOM 0 H TYR A 59 -0.721 1.069 5.555 1.00 0.02 H new ATOM 0 HA TYR A 59 1.530 -0.158 4.000 1.00 0.01 H new ATOM 0 HB2 TYR A 59 0.518 -0.871 6.797 1.00 0.01 H new ATOM 0 HB3 TYR A 59 1.575 -1.906 5.858 1.00 0.01 H new ATOM 0 HD1 TYR A 59 3.876 -1.109 5.220 1.00 0.01 H new ATOM 0 HD2 TYR A 59 1.343 1.136 7.867 1.00 0.01 H new ATOM 0 HE1 TYR A 59 5.839 0.192 5.995 1.00 0.02 H new ATOM 0 HE2 TYR A 59 3.307 2.436 8.642 1.00 0.01 H new ATOM 0 HH TYR A 59 5.506 2.776 8.473 1.00 0.01 H new ATOM 925 N ILE A 60 -0.021 -1.990 3.217 1.00 0.02 N ATOM 926 CA ILE A 60 -1.005 -2.950 2.630 1.00 0.01 C ATOM 927 C ILE A 60 -0.818 -4.312 3.313 1.00 0.01 C ATOM 928 O ILE A 60 0.293 -4.781 3.470 1.00 0.01 O ATOM 929 CB ILE A 60 -0.759 -3.082 1.117 1.00 0.45 C ATOM 930 CG1 ILE A 60 -1.289 -1.833 0.401 1.00 1.35 C ATOM 931 CG2 ILE A 60 -1.492 -4.317 0.574 1.00 1.21 C ATOM 932 CD1 ILE A 60 -0.652 -0.572 0.989 1.00 1.72 C ATOM 0 H ILE A 60 0.906 -2.019 2.793 1.00 0.02 H new ATOM 0 HA ILE A 60 -2.022 -2.592 2.788 1.00 0.01 H new ATOM 0 HB ILE A 60 0.311 -3.186 0.939 1.00 0.45 H new ATOM 0 HG12 ILE A 60 -1.070 -1.896 -0.665 1.00 1.35 H new ATOM 0 HG13 ILE A 60 -2.373 -1.781 0.501 1.00 1.35 H new ATOM 0 HG21 ILE A 60 -1.313 -4.404 -0.498 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -1.122 -5.210 1.077 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -2.562 -4.215 0.756 1.00 1.21 H new ATOM 0 HD11 ILE A 60 -1.038 0.306 0.471 1.00 1.72 H new ATOM 0 HD12 ILE A 60 -0.894 -0.503 2.050 1.00 1.72 H new ATOM 0 HD13 ILE A 60 0.430 -0.620 0.866 1.00 1.72 H new ATOM 944 N LEU A 61 -1.892 -4.932 3.745 1.00 0.01 N ATOM 945 CA LEU A 61 -1.783 -6.253 4.453 1.00 0.01 C ATOM 946 C LEU A 61 -2.557 -7.350 3.671 1.00 0.01 C ATOM 947 O LEU A 61 -3.773 -7.356 3.689 1.00 0.00 O ATOM 948 CB LEU A 61 -2.408 -6.084 5.868 1.00 0.01 C ATOM 949 CG LEU A 61 -1.347 -6.263 6.967 1.00 0.02 C ATOM 950 CD1 LEU A 61 -1.886 -5.734 8.296 1.00 0.01 C ATOM 951 CD2 LEU A 61 -1.014 -7.748 7.125 1.00 0.01 C ATOM 0 H LEU A 61 -2.843 -4.580 3.638 1.00 0.01 H new ATOM 0 HA LEU A 61 -0.738 -6.556 4.523 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -2.861 -5.096 5.953 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -3.206 -6.814 6.006 1.00 0.01 H new ATOM 0 HG LEU A 61 -0.450 -5.711 6.686 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -1.131 -5.863 9.072 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -2.126 -4.676 8.196 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -2.785 -6.286 8.569 1.00 0.01 H new ATOM 0 HD21 LEU A 61 -0.262 -7.871 7.904 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -1.915 -8.296 7.400 1.00 0.01 H new ATOM 0 HD23 LEU A 61 -0.627 -8.136 6.183 1.00 0.01 H new ATOM 963 N PRO A 62 -1.892 -8.294 3.017 1.00 0.02 N ATOM 964 CA PRO A 62 -2.627 -9.376 2.298 1.00 0.01 C ATOM 965 C PRO A 62 -3.186 -10.397 3.301 1.00 0.00 C ATOM 966 O PRO A 62 -2.838 -10.381 4.466 1.00 0.02 O ATOM 967 CB PRO A 62 -1.532 -9.992 1.410 1.00 1.47 C ATOM 968 CG PRO A 62 -0.164 -9.509 1.932 1.00 1.29 C ATOM 969 CD PRO A 62 -0.401 -8.358 2.929 1.00 0.82 C ATOM 0 HA PRO A 62 -3.488 -9.028 1.727 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -1.587 -11.080 1.437 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -1.671 -9.692 0.371 1.00 1.47 H new ATOM 0 HG2 PRO A 62 0.367 -10.328 2.418 1.00 1.29 H new ATOM 0 HG3 PRO A 62 0.460 -9.171 1.104 1.00 1.29 H new ATOM 0 HD2 PRO A 62 0.052 -8.564 3.899 1.00 0.82 H new ATOM 0 HD3 PRO A 62 0.023 -7.420 2.571 1.00 0.82 H new ATOM 977 N GLN A 63 -4.049 -11.279 2.872 1.00 0.02 N ATOM 978 CA GLN A 63 -4.622 -12.284 3.812 1.00 0.00 C ATOM 979 C GLN A 63 -3.505 -13.035 4.539 1.00 0.00 C ATOM 980 O GLN A 63 -2.499 -13.382 3.952 1.00 0.02 O ATOM 981 CB GLN A 63 -5.465 -13.284 3.021 1.00 1.27 C ATOM 982 CG GLN A 63 -6.295 -14.130 3.989 1.00 1.67 C ATOM 983 CD GLN A 63 -7.143 -15.123 3.195 1.00 2.43 C ATOM 984 OE1 GLN A 63 -7.939 -15.847 3.758 1.00 4.25 O ATOM 985 NE2 GLN A 63 -7.006 -15.188 1.899 1.00 3.04 N ATOM 0 H GLN A 63 -4.382 -11.346 1.910 1.00 0.02 H new ATOM 0 HA GLN A 63 -5.238 -11.769 4.549 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.121 -12.756 2.329 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -4.820 -13.926 2.422 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -5.639 -14.663 4.677 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -6.936 -13.488 4.593 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -6.338 -14.580 1.426 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -7.567 -15.847 1.359 1.00 3.04 H new ATOM 994 N GLY A 64 -3.669 -13.303 5.812 1.00 0.02 N ATOM 995 CA GLY A 64 -2.605 -14.045 6.550 1.00 0.01 C ATOM 996 C GLY A 64 -2.672 -13.723 8.043 1.00 0.02 C ATOM 997 O GLY A 64 -3.539 -13.007 8.504 1.00 0.02 O ATOM 0 H GLY A 64 -4.485 -13.042 6.365 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -2.727 -15.117 6.396 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -1.625 -13.776 6.157 1.00 0.01 H new ATOM 1001 N GLU A 65 -1.752 -14.256 8.805 1.00 0.02 N ATOM 1002 CA GLU A 65 -1.731 -14.002 10.279 1.00 0.02 C ATOM 1003 C GLU A 65 -0.426 -13.305 10.654 1.00 0.02 C ATOM 1004 O GLU A 65 0.652 -13.741 10.300 1.00 0.02 O ATOM 1005 CB GLU A 65 -1.814 -15.339 11.014 1.00 0.77 C ATOM 1006 CG GLU A 65 -1.936 -15.079 12.514 1.00 0.49 C ATOM 1007 CD GLU A 65 -2.067 -16.408 13.256 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -1.549 -17.395 12.762 1.00 0.96 O ATOM 1009 OE2 GLU A 65 -2.683 -16.417 14.310 1.00 0.71 O ATOM 0 H GLU A 65 -1.006 -14.863 8.466 1.00 0.02 H new ATOM 0 HA GLU A 65 -2.575 -13.371 10.557 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -2.673 -15.910 10.660 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -0.927 -15.937 10.807 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -1.061 -14.536 12.871 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -2.804 -14.452 12.715 1.00 0.49 H new ATOM 1016 N TYR A 66 -0.528 -12.226 11.388 1.00 0.02 N ATOM 1017 CA TYR A 66 0.680 -11.471 11.829 1.00 0.02 C ATOM 1018 C TYR A 66 0.683 -11.444 13.370 1.00 0.02 C ATOM 1019 O TYR A 66 0.072 -10.578 13.974 1.00 0.02 O ATOM 1020 CB TYR A 66 0.581 -10.044 11.281 1.00 0.01 C ATOM 1021 CG TYR A 66 0.555 -10.102 9.768 1.00 0.02 C ATOM 1022 CD1 TYR A 66 -0.585 -10.573 9.099 1.00 0.02 C ATOM 1023 CD2 TYR A 66 1.677 -9.703 9.031 1.00 0.01 C ATOM 1024 CE1 TYR A 66 -0.600 -10.641 7.701 1.00 0.02 C ATOM 1025 CE2 TYR A 66 1.663 -9.774 7.633 1.00 0.02 C ATOM 1026 CZ TYR A 66 0.525 -10.245 6.968 1.00 0.02 C ATOM 1027 OH TYR A 66 0.510 -10.315 5.590 1.00 0.01 O ATOM 0 H TYR A 66 -1.414 -11.831 11.705 1.00 0.02 H new ATOM 0 HA TYR A 66 1.596 -11.936 11.465 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -0.320 -9.558 11.655 1.00 0.01 H new ATOM 0 HB3 TYR A 66 1.429 -9.450 11.621 1.00 0.01 H new ATOM 0 HD1 TYR A 66 -1.452 -10.883 9.663 1.00 0.02 H new ATOM 0 HD2 TYR A 66 2.556 -9.339 9.543 1.00 0.01 H new ATOM 0 HE1 TYR A 66 -1.480 -10.999 7.188 1.00 0.02 H new ATOM 0 HE2 TYR A 66 2.530 -9.465 7.068 1.00 0.02 H new ATOM 0 HH TYR A 66 1.369 -10.002 5.237 1.00 0.01 H new ATOM 1037 N PRO A 67 1.345 -12.391 14.018 1.00 0.01 N ATOM 1038 CA PRO A 67 1.363 -12.434 15.508 1.00 0.02 C ATOM 1039 C PRO A 67 2.084 -11.242 16.152 1.00 0.02 C ATOM 1040 O PRO A 67 2.080 -11.103 17.358 1.00 0.02 O ATOM 1041 CB PRO A 67 2.093 -13.765 15.808 1.00 0.02 C ATOM 1042 CG PRO A 67 2.415 -14.457 14.469 1.00 0.02 C ATOM 1043 CD PRO A 67 2.094 -13.479 13.327 1.00 0.01 C ATOM 0 HA PRO A 67 0.358 -12.375 15.925 1.00 0.02 H new ATOM 0 HB2 PRO A 67 3.009 -13.577 16.367 1.00 0.02 H new ATOM 0 HB3 PRO A 67 1.468 -14.409 16.427 1.00 0.02 H new ATOM 0 HG2 PRO A 67 3.465 -14.748 14.435 1.00 0.02 H new ATOM 0 HG3 PRO A 67 1.828 -15.369 14.363 1.00 0.02 H new ATOM 0 HD2 PRO A 67 3.000 -13.105 12.849 1.00 0.01 H new ATOM 0 HD3 PRO A 67 1.494 -13.950 12.548 1.00 0.01 H new ATOM 1051 N GLU A 68 2.686 -10.373 15.385 1.00 0.01 N ATOM 1052 CA GLU A 68 3.372 -9.202 16.000 1.00 0.01 C ATOM 1053 C GLU A 68 3.468 -8.106 14.942 1.00 0.03 C ATOM 1054 O GLU A 68 3.432 -8.358 13.754 1.00 0.02 O ATOM 1055 CB GLU A 68 4.785 -9.592 16.450 1.00 0.69 C ATOM 1056 CG GLU A 68 4.708 -10.551 17.640 1.00 1.09 C ATOM 1057 CD GLU A 68 6.083 -10.656 18.302 1.00 1.35 C ATOM 1058 OE1 GLU A 68 6.780 -9.656 18.335 1.00 1.55 O ATOM 1059 OE2 GLU A 68 6.414 -11.734 18.763 1.00 2.02 O ATOM 0 H GLU A 68 2.732 -10.423 14.367 1.00 0.01 H new ATOM 0 HA GLU A 68 2.812 -8.857 16.869 1.00 0.01 H new ATOM 0 HB2 GLU A 68 5.321 -10.063 15.626 1.00 0.69 H new ATOM 0 HB3 GLU A 68 5.347 -8.700 16.727 1.00 0.69 H new ATOM 0 HG2 GLU A 68 3.972 -10.194 18.361 1.00 1.09 H new ATOM 0 HG3 GLU A 68 4.377 -11.535 17.307 1.00 1.09 H new ATOM 1066 N TYR A 69 3.530 -6.880 15.375 1.00 0.02 N ATOM 1067 CA TYR A 69 3.553 -5.751 14.408 1.00 0.02 C ATOM 1068 C TYR A 69 4.765 -5.816 13.472 1.00 0.01 C ATOM 1069 O TYR A 69 4.671 -5.498 12.303 1.00 0.01 O ATOM 1070 CB TYR A 69 3.493 -4.414 15.160 1.00 0.02 C ATOM 1071 CG TYR A 69 4.811 -4.120 15.849 1.00 0.02 C ATOM 1072 CD1 TYR A 69 5.226 -4.898 16.938 1.00 0.02 C ATOM 1073 CD2 TYR A 69 5.611 -3.052 15.411 1.00 0.02 C ATOM 1074 CE1 TYR A 69 6.433 -4.612 17.587 1.00 0.02 C ATOM 1075 CE2 TYR A 69 6.820 -2.770 16.060 1.00 0.02 C ATOM 1076 CZ TYR A 69 7.230 -3.547 17.148 1.00 0.02 C ATOM 1077 OH TYR A 69 8.419 -3.267 17.788 1.00 0.01 O ATOM 0 H TYR A 69 3.566 -6.611 16.358 1.00 0.02 H new ATOM 0 HA TYR A 69 2.671 -5.834 13.773 1.00 0.02 H new ATOM 0 HB2 TYR A 69 3.256 -3.611 14.463 1.00 0.02 H new ATOM 0 HB3 TYR A 69 2.691 -4.443 15.898 1.00 0.02 H new ATOM 0 HD1 TYR A 69 4.613 -5.720 17.277 1.00 0.02 H new ATOM 0 HD2 TYR A 69 5.294 -2.448 14.574 1.00 0.02 H new ATOM 0 HE1 TYR A 69 6.750 -5.213 18.427 1.00 0.02 H new ATOM 0 HE2 TYR A 69 7.436 -1.951 15.720 1.00 0.02 H new ATOM 0 HH TYR A 69 8.849 -2.499 17.358 1.00 0.01 H new ATOM 1087 N GLN A 70 5.903 -6.223 13.968 1.00 0.01 N ATOM 1088 CA GLN A 70 7.117 -6.311 13.101 1.00 0.02 C ATOM 1089 C GLN A 70 6.884 -7.287 11.941 1.00 0.01 C ATOM 1090 O GLN A 70 7.521 -7.210 10.910 1.00 0.02 O ATOM 1091 CB GLN A 70 8.299 -6.813 13.934 1.00 0.01 C ATOM 1092 CG GLN A 70 8.663 -5.768 14.986 1.00 0.01 C ATOM 1093 CD GLN A 70 9.248 -4.533 14.301 1.00 0.02 C ATOM 1094 OE1 GLN A 70 8.957 -3.417 14.684 1.00 0.01 O ATOM 1095 NE2 GLN A 70 10.066 -4.684 13.297 1.00 0.02 N ATOM 0 H GLN A 70 6.046 -6.499 14.939 1.00 0.01 H new ATOM 0 HA GLN A 70 7.327 -5.320 12.698 1.00 0.02 H new ATOM 0 HB2 GLN A 70 8.043 -7.756 14.417 1.00 0.01 H new ATOM 0 HB3 GLN A 70 9.155 -7.008 13.289 1.00 0.01 H new ATOM 0 HG2 GLN A 70 7.779 -5.493 15.561 1.00 0.01 H new ATOM 0 HG3 GLN A 70 9.385 -6.182 15.690 1.00 0.01 H new ATOM 0 HE21 GLN A 70 10.311 -5.620 12.975 1.00 0.02 H new ATOM 0 HE22 GLN A 70 10.461 -3.866 12.834 1.00 0.02 H new ATOM 1104 N ARG A 71 5.969 -8.206 12.110 1.00 0.01 N ATOM 1105 CA ARG A 71 5.694 -9.188 11.021 1.00 0.02 C ATOM 1106 C ARG A 71 4.981 -8.466 9.871 1.00 0.01 C ATOM 1107 O ARG A 71 4.943 -8.928 8.749 1.00 0.02 O ATOM 1108 CB ARG A 71 4.825 -10.342 11.568 1.00 0.34 C ATOM 1109 CG ARG A 71 5.240 -11.682 10.928 1.00 0.72 C ATOM 1110 CD ARG A 71 4.951 -11.667 9.418 1.00 1.04 C ATOM 1111 NE ARG A 71 4.637 -13.056 8.955 1.00 1.67 N ATOM 1112 CZ ARG A 71 5.418 -14.062 9.249 1.00 2.47 C ATOM 1113 NH1 ARG A 71 6.592 -13.857 9.782 1.00 2.54 N ATOM 1114 NH2 ARG A 71 5.045 -15.277 8.951 1.00 3.42 N ATOM 0 H ARG A 71 5.403 -8.318 12.951 1.00 0.01 H new ATOM 0 HA ARG A 71 6.628 -9.611 10.651 1.00 0.02 H new ATOM 0 HB2 ARG A 71 4.930 -10.402 12.651 1.00 0.34 H new ATOM 0 HB3 ARG A 71 3.774 -10.143 11.360 1.00 0.34 H new ATOM 0 HG2 ARG A 71 6.301 -11.861 11.100 1.00 0.72 H new ATOM 0 HG3 ARG A 71 4.698 -12.501 11.400 1.00 0.72 H new ATOM 0 HD2 ARG A 71 4.113 -11.003 9.204 1.00 1.04 H new ATOM 0 HD3 ARG A 71 5.813 -11.278 8.876 1.00 1.04 H new ATOM 0 HE ARG A 71 3.797 -13.220 8.399 1.00 1.67 H new ATOM 0 HH11 ARG A 71 6.907 -12.906 9.972 1.00 2.54 H new ATOM 0 HH12 ARG A 71 7.195 -14.648 10.008 1.00 2.54 H new ATOM 0 HH21 ARG A 71 4.149 -15.437 8.491 1.00 3.42 H new ATOM 0 HH22 ARG A 71 5.650 -16.066 9.178 1.00 3.42 H new ATOM 1128 N TRP A 72 4.420 -7.323 10.166 1.00 0.02 N ATOM 1129 CA TRP A 72 3.696 -6.520 9.136 1.00 0.01 C ATOM 1130 C TRP A 72 4.568 -5.298 8.810 1.00 0.01 C ATOM 1131 O TRP A 72 4.163 -4.379 8.131 1.00 0.02 O ATOM 1132 CB TRP A 72 2.321 -6.138 9.741 1.00 0.02 C ATOM 1133 CG TRP A 72 1.873 -4.764 9.347 1.00 0.01 C ATOM 1134 CD1 TRP A 72 1.593 -4.357 8.088 1.00 0.01 C ATOM 1135 CD2 TRP A 72 1.620 -3.620 10.212 1.00 0.02 C ATOM 1136 NE1 TRP A 72 1.198 -3.033 8.127 1.00 0.02 N ATOM 1137 CE2 TRP A 72 1.198 -2.535 9.414 1.00 0.02 C ATOM 1138 CE3 TRP A 72 1.721 -3.421 11.601 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 0.886 -1.295 9.972 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 1.407 -2.176 12.167 1.00 0.02 C ATOM 1141 CH2 TRP A 72 0.991 -1.114 11.353 1.00 0.02 C ATOM 0 H TRP A 72 4.433 -6.904 11.096 1.00 0.02 H new ATOM 0 HA TRP A 72 3.519 -7.060 8.206 1.00 0.01 H new ATOM 0 HB2 TRP A 72 1.574 -6.864 9.420 1.00 0.02 H new ATOM 0 HB3 TRP A 72 2.378 -6.198 10.828 1.00 0.02 H new ATOM 0 HD1 TRP A 72 1.666 -4.966 7.199 1.00 0.01 H new ATOM 0 HE1 TRP A 72 0.938 -2.490 7.304 1.00 0.02 H new ATOM 0 HE3 TRP A 72 2.043 -4.233 12.237 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 0.565 -0.480 9.340 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 1.486 -2.036 13.235 1.00 0.02 H new ATOM 0 HH2 TRP A 72 0.752 -0.157 11.793 1.00 0.02 H new ATOM 1152 N MET A 73 5.778 -5.307 9.299 1.00 0.02 N ATOM 1153 CA MET A 73 6.720 -4.177 9.045 1.00 0.02 C ATOM 1154 C MET A 73 6.163 -2.870 9.619 1.00 0.01 C ATOM 1155 O MET A 73 6.537 -1.788 9.208 1.00 0.02 O ATOM 1156 CB MET A 73 6.945 -4.014 7.539 1.00 0.02 C ATOM 1157 CG MET A 73 7.180 -5.384 6.901 1.00 0.01 C ATOM 1158 SD MET A 73 7.642 -5.166 5.165 1.00 0.01 S ATOM 1159 CE MET A 73 7.730 -6.920 4.732 1.00 0.01 C ATOM 0 H MET A 73 6.160 -6.060 9.872 1.00 0.02 H new ATOM 0 HA MET A 73 7.667 -4.403 9.535 1.00 0.02 H new ATOM 0 HB2 MET A 73 6.080 -3.533 7.082 1.00 0.02 H new ATOM 0 HB3 MET A 73 7.802 -3.366 7.358 1.00 0.02 H new ATOM 0 HG2 MET A 73 7.968 -5.916 7.435 1.00 0.01 H new ATOM 0 HG3 MET A 73 6.278 -5.992 6.975 1.00 0.01 H new ATOM 0 HE1 MET A 73 8.006 -7.022 3.682 1.00 0.01 H new ATOM 0 HE2 MET A 73 8.479 -7.411 5.353 1.00 0.01 H new ATOM 0 HE3 MET A 73 6.758 -7.385 4.899 1.00 0.01 H new ATOM 1169 N GLY A 74 5.270 -2.966 10.567 1.00 0.02 N ATOM 1170 CA GLY A 74 4.690 -1.736 11.169 1.00 0.02 C ATOM 1171 C GLY A 74 5.812 -0.898 11.777 1.00 0.01 C ATOM 1172 O GLY A 74 6.751 -1.424 12.341 1.00 0.01 O ATOM 0 H GLY A 74 4.918 -3.844 10.949 1.00 0.02 H new ATOM 0 HA2 GLY A 74 4.160 -1.160 10.410 1.00 0.02 H new ATOM 0 HA3 GLY A 74 3.961 -2.000 11.935 1.00 0.02 H new ATOM 1176 N LEU A 75 5.707 0.401 11.708 1.00 0.02 N ATOM 1177 CA LEU A 75 6.757 1.255 12.330 1.00 0.02 C ATOM 1178 C LEU A 75 6.485 1.300 13.840 1.00 0.01 C ATOM 1179 O LEU A 75 7.390 1.390 14.645 1.00 0.02 O ATOM 1180 CB LEU A 75 6.701 2.665 11.726 1.00 0.55 C ATOM 1181 CG LEU A 75 7.704 3.590 12.431 1.00 0.58 C ATOM 1182 CD1 LEU A 75 9.124 3.012 12.323 1.00 0.98 C ATOM 1183 CD2 LEU A 75 7.657 4.969 11.767 1.00 0.42 C ATOM 0 H LEU A 75 4.946 0.904 11.252 1.00 0.02 H new ATOM 0 HA LEU A 75 7.751 0.850 12.143 1.00 0.02 H new ATOM 0 HB2 LEU A 75 6.925 2.620 10.660 1.00 0.55 H new ATOM 0 HB3 LEU A 75 5.693 3.069 11.823 1.00 0.55 H new ATOM 0 HG LEU A 75 7.441 3.675 13.485 1.00 0.58 H new ATOM 0 HD11 LEU A 75 9.826 3.676 12.826 1.00 0.98 H new ATOM 0 HD12 LEU A 75 9.153 2.029 12.793 1.00 0.98 H new ATOM 0 HD13 LEU A 75 9.401 2.920 11.273 1.00 0.98 H new ATOM 0 HD21 LEU A 75 8.366 5.635 12.260 1.00 0.42 H new ATOM 0 HD22 LEU A 75 7.920 4.875 10.713 1.00 0.42 H new ATOM 0 HD23 LEU A 75 6.652 5.381 11.854 1.00 0.42 H new ATOM 1195 N ASN A 76 5.236 1.203 14.221 1.00 0.01 N ATOM 1196 CA ASN A 76 4.854 1.200 15.658 1.00 0.02 C ATOM 1197 C ASN A 76 3.481 0.527 15.741 1.00 0.02 C ATOM 1198 O ASN A 76 2.991 0.004 14.761 1.00 0.02 O ATOM 1199 CB ASN A 76 4.774 2.638 16.177 1.00 0.02 C ATOM 1200 CG ASN A 76 4.423 2.627 17.665 1.00 0.02 C ATOM 1201 OD1 ASN A 76 5.111 2.017 18.458 1.00 0.01 O ATOM 1202 ND2 ASN A 76 3.373 3.280 18.080 1.00 0.02 N ATOM 0 H ASN A 76 4.449 1.124 13.577 1.00 0.01 H new ATOM 0 HA ASN A 76 5.587 0.668 16.265 1.00 0.02 H new ATOM 0 HB2 ASN A 76 5.726 3.145 16.021 1.00 0.02 H new ATOM 0 HB3 ASN A 76 4.021 3.195 15.619 1.00 0.02 H new ATOM 0 HD21 ASN A 76 3.130 3.278 19.071 1.00 0.02 H new ATOM 0 HD22 ASN A 76 2.795 3.792 17.414 1.00 0.02 H new ATOM 1209 N ASP A 77 2.855 0.517 16.891 1.00 0.01 N ATOM 1210 CA ASP A 77 1.515 -0.145 17.006 1.00 0.01 C ATOM 1211 C ASP A 77 0.399 0.899 16.909 1.00 0.01 C ATOM 1212 O ASP A 77 -0.673 0.714 17.456 1.00 0.01 O ATOM 1213 CB ASP A 77 1.424 -0.852 18.361 1.00 0.01 C ATOM 1214 CG ASP A 77 2.032 0.047 19.438 1.00 0.01 C ATOM 1215 OD1 ASP A 77 1.422 1.054 19.754 1.00 0.02 O ATOM 1216 OD2 ASP A 77 3.100 -0.287 19.923 1.00 0.01 O ATOM 0 H ASP A 77 3.209 0.935 17.751 1.00 0.01 H new ATOM 0 HA ASP A 77 1.400 -0.865 16.196 1.00 0.01 H new ATOM 0 HB2 ASP A 77 0.384 -1.074 18.600 1.00 0.01 H new ATOM 0 HB3 ASP A 77 1.953 -1.804 18.324 1.00 0.01 H new ATOM 1221 N ARG A 78 0.638 1.998 16.233 1.00 0.01 N ATOM 1222 CA ARG A 78 -0.414 3.058 16.124 1.00 0.01 C ATOM 1223 C ARG A 78 -1.192 2.891 14.811 1.00 0.02 C ATOM 1224 O ARG A 78 -0.632 2.938 13.733 1.00 0.02 O ATOM 1225 CB ARG A 78 0.257 4.452 16.183 1.00 0.43 C ATOM 1226 CG ARG A 78 0.156 5.038 17.603 1.00 0.80 C ATOM 1227 CD ARG A 78 -1.223 5.681 17.808 1.00 1.00 C ATOM 1228 NE ARG A 78 -1.530 5.740 19.264 1.00 1.30 N ATOM 1229 CZ ARG A 78 -2.500 6.496 19.692 1.00 2.30 C ATOM 1230 NH1 ARG A 78 -3.202 7.200 18.845 1.00 2.72 N ATOM 1231 NH2 ARG A 78 -2.771 6.548 20.968 1.00 3.20 N ATOM 0 H ARG A 78 1.514 2.206 15.753 1.00 0.01 H new ATOM 0 HA ARG A 78 -1.115 2.965 16.953 1.00 0.01 H new ATOM 0 HB2 ARG A 78 1.304 4.371 15.890 1.00 0.43 H new ATOM 0 HB3 ARG A 78 -0.222 5.124 15.471 1.00 0.43 H new ATOM 0 HG2 ARG A 78 0.314 4.252 18.342 1.00 0.80 H new ATOM 0 HG3 ARG A 78 0.939 5.781 17.756 1.00 0.80 H new ATOM 0 HD2 ARG A 78 -1.236 6.684 17.382 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -1.987 5.103 17.287 1.00 1.00 H new ATOM 0 HE ARG A 78 -0.982 5.189 19.925 1.00 1.30 H new ATOM 0 HH11 ARG A 78 -2.990 7.158 17.848 1.00 2.72 H new ATOM 0 HH12 ARG A 78 -3.962 7.792 19.180 1.00 2.72 H new ATOM 0 HH21 ARG A 78 -2.223 5.997 21.629 1.00 3.20 H new ATOM 0 HH22 ARG A 78 -3.531 7.140 21.304 1.00 3.20 H new ATOM 1245 N LEU A 79 -2.483 2.728 14.901 1.00 0.01 N ATOM 1246 CA LEU A 79 -3.331 2.591 13.679 1.00 0.01 C ATOM 1247 C LEU A 79 -4.669 3.282 13.964 1.00 0.01 C ATOM 1248 O LEU A 79 -5.361 2.935 14.901 1.00 0.02 O ATOM 1249 CB LEU A 79 -3.556 1.108 13.376 1.00 1.04 C ATOM 1250 CG LEU A 79 -2.269 0.484 12.816 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -2.486 -1.021 12.631 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -1.895 1.132 11.463 1.00 2.61 C ATOM 0 H LEU A 79 -2.995 2.683 15.782 1.00 0.01 H new ATOM 0 HA LEU A 79 -2.847 3.048 12.816 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -3.858 0.585 14.283 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -4.367 0.994 12.657 1.00 1.04 H new ATOM 0 HG LEU A 79 -1.452 0.658 13.516 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -1.577 -1.473 12.234 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -2.727 -1.475 13.592 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -3.308 -1.187 11.935 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -0.981 0.677 11.082 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -2.703 0.975 10.749 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -1.737 2.201 11.603 1.00 2.61 H new ATOM 1264 N GLY A 80 -5.013 4.290 13.197 1.00 0.02 N ATOM 1265 CA GLY A 80 -6.283 5.050 13.459 1.00 0.02 C ATOM 1266 C GLY A 80 -7.371 4.742 12.426 1.00 0.02 C ATOM 1267 O GLY A 80 -8.528 5.035 12.645 1.00 0.01 O ATOM 0 H GLY A 80 -4.470 4.621 12.400 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -6.651 4.804 14.455 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -6.071 6.119 13.452 1.00 0.02 H new ATOM 1271 N SER A 81 -7.038 4.161 11.308 1.00 0.01 N ATOM 1272 CA SER A 81 -8.099 3.862 10.299 1.00 0.01 C ATOM 1273 C SER A 81 -7.650 2.721 9.391 1.00 0.02 C ATOM 1274 O SER A 81 -6.474 2.468 9.218 1.00 0.01 O ATOM 1275 CB SER A 81 -8.370 5.110 9.461 1.00 0.01 C ATOM 1276 OG SER A 81 -9.384 4.823 8.508 1.00 0.01 O ATOM 0 H SER A 81 -6.092 3.882 11.049 1.00 0.01 H new ATOM 0 HA SER A 81 -9.011 3.565 10.816 1.00 0.01 H new ATOM 0 HB2 SER A 81 -8.681 5.933 10.104 1.00 0.01 H new ATOM 0 HB3 SER A 81 -7.458 5.428 8.955 1.00 0.01 H new ATOM 0 HG SER A 81 -9.179 5.278 7.665 1.00 0.01 H new ATOM 1282 N CYS A 82 -8.593 2.028 8.804 1.00 0.02 N ATOM 1283 CA CYS A 82 -8.245 0.897 7.895 1.00 0.01 C ATOM 1284 C CYS A 82 -9.247 0.843 6.741 1.00 0.01 C ATOM 1285 O CYS A 82 -10.406 1.169 6.896 1.00 0.01 O ATOM 1286 CB CYS A 82 -8.285 -0.423 8.669 1.00 0.01 C ATOM 1287 SG CYS A 82 -9.971 -0.726 9.253 1.00 0.02 S ATOM 0 H CYS A 82 -9.592 2.199 8.917 1.00 0.02 H new ATOM 0 HA CYS A 82 -7.241 1.050 7.500 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -7.957 -1.242 8.029 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -7.597 -0.383 9.514 1.00 0.01 H new ATOM 0 HG CYS A 82 -10.810 -0.047 8.528 1.00 0.02 H new ATOM 1293 N ARG A 83 -8.808 0.426 5.584 1.00 0.01 N ATOM 1294 CA ARG A 83 -9.727 0.339 4.405 1.00 0.01 C ATOM 1295 C ARG A 83 -9.504 -0.997 3.706 1.00 0.01 C ATOM 1296 O ARG A 83 -8.390 -1.457 3.563 1.00 0.01 O ATOM 1297 CB ARG A 83 -9.389 1.446 3.401 1.00 0.01 C ATOM 1298 CG ARG A 83 -9.582 2.828 4.038 1.00 0.01 C ATOM 1299 CD ARG A 83 -8.797 3.882 3.236 1.00 0.01 C ATOM 1300 NE ARG A 83 -8.680 3.445 1.815 1.00 0.01 N ATOM 1301 CZ ARG A 83 -8.310 4.297 0.899 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -8.041 5.531 1.227 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -8.210 3.914 -0.345 1.00 0.01 N ATOM 0 H ARG A 83 -7.846 0.139 5.401 1.00 0.01 H new ATOM 0 HA ARG A 83 -10.757 0.440 4.748 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -8.359 1.336 3.063 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -10.025 1.353 2.521 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -10.641 3.086 4.057 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -9.239 2.814 5.072 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -9.303 4.846 3.290 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -7.806 4.018 3.668 1.00 0.01 H new ATOM 0 HE ARG A 83 -8.889 2.480 1.559 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -8.120 5.829 2.199 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -7.752 6.197 0.511 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -8.421 2.949 -0.600 1.00 0.01 H new ATOM 0 HH22 ARG A 83 -7.921 4.580 -1.062 1.00 0.01 H new ATOM 1317 N ALA A 84 -10.557 -1.625 3.260 1.00 0.01 N ATOM 1318 CA ALA A 84 -10.398 -2.925 2.565 1.00 0.01 C ATOM 1319 C ALA A 84 -9.928 -2.661 1.138 1.00 0.01 C ATOM 1320 O ALA A 84 -10.492 -1.862 0.418 1.00 0.00 O ATOM 1321 CB ALA A 84 -11.742 -3.657 2.524 1.00 0.43 C ATOM 0 H ALA A 84 -11.517 -1.292 3.348 1.00 0.01 H new ATOM 0 HA ALA A 84 -9.670 -3.539 3.095 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -11.621 -4.612 2.012 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -12.092 -3.832 3.541 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -12.471 -3.049 1.989 1.00 0.43 H new ATOM 1327 N VAL A 85 -8.906 -3.351 0.724 1.00 0.01 N ATOM 1328 CA VAL A 85 -8.386 -3.183 -0.659 1.00 0.01 C ATOM 1329 C VAL A 85 -9.105 -4.189 -1.562 1.00 0.01 C ATOM 1330 O VAL A 85 -9.075 -5.380 -1.323 1.00 0.01 O ATOM 1331 CB VAL A 85 -6.871 -3.440 -0.682 1.00 0.98 C ATOM 1332 CG1 VAL A 85 -6.313 -3.101 -2.067 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -6.176 -2.554 0.362 1.00 1.12 C ATOM 0 H VAL A 85 -8.402 -4.033 1.292 1.00 0.01 H new ATOM 0 HA VAL A 85 -8.566 -2.167 -1.011 1.00 0.01 H new ATOM 0 HB VAL A 85 -6.687 -4.490 -0.454 1.00 0.98 H new ATOM 0 HG11 VAL A 85 -5.239 -3.284 -2.081 1.00 1.25 H new ATOM 0 HG12 VAL A 85 -6.797 -3.726 -2.817 1.00 1.25 H new ATOM 0 HG13 VAL A 85 -6.505 -2.051 -2.290 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -5.102 -2.741 0.341 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -6.366 -1.505 0.134 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -6.565 -2.786 1.353 1.00 1.12 H new ATOM 1343 N HIS A 86 -9.748 -3.726 -2.599 1.00 0.01 N ATOM 1344 CA HIS A 86 -10.463 -4.663 -3.517 1.00 0.01 C ATOM 1345 C HIS A 86 -9.510 -5.056 -4.641 1.00 0.01 C ATOM 1346 O HIS A 86 -8.852 -4.222 -5.227 1.00 0.00 O ATOM 1347 CB HIS A 86 -11.690 -3.960 -4.108 1.00 0.21 C ATOM 1348 CG HIS A 86 -12.417 -3.225 -3.017 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -12.665 -3.795 -1.779 1.00 1.26 N ATOM 1350 CD2 HIS A 86 -12.958 -1.964 -2.965 1.00 1.20 C ATOM 1351 CE1 HIS A 86 -13.328 -2.886 -1.040 1.00 1.77 C ATOM 1352 NE2 HIS A 86 -13.532 -1.752 -1.716 1.00 1.71 N ATOM 0 H HIS A 86 -9.810 -2.740 -2.852 1.00 0.01 H new ATOM 0 HA HIS A 86 -10.787 -5.550 -2.973 1.00 0.01 H new ATOM 0 HB2 HIS A 86 -11.383 -3.264 -4.889 1.00 0.21 H new ATOM 0 HB3 HIS A 86 -12.352 -4.690 -4.574 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -12.940 -1.246 -3.771 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -13.655 -3.053 -0.024 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -14.007 -0.911 -1.387 1.00 1.71 H new ATOM 1360 N LEU A 87 -9.434 -6.325 -4.948 1.00 0.01 N ATOM 1361 CA LEU A 87 -8.521 -6.795 -6.033 1.00 0.01 C ATOM 1362 C LEU A 87 -9.320 -6.950 -7.324 1.00 0.01 C ATOM 1363 O LEU A 87 -10.430 -7.445 -7.319 1.00 0.01 O ATOM 1364 CB LEU A 87 -7.931 -8.159 -5.636 1.00 0.67 C ATOM 1365 CG LEU A 87 -7.642 -8.185 -4.134 1.00 1.25 C ATOM 1366 CD1 LEU A 87 -6.952 -9.502 -3.774 1.00 1.63 C ATOM 1367 CD2 LEU A 87 -6.728 -7.014 -3.766 1.00 1.34 C ATOM 0 H LEU A 87 -9.970 -7.062 -4.490 1.00 0.01 H new ATOM 0 HA LEU A 87 -7.717 -6.074 -6.181 1.00 0.01 H new ATOM 0 HB2 LEU A 87 -8.629 -8.956 -5.895 1.00 0.67 H new ATOM 0 HB3 LEU A 87 -7.014 -8.345 -6.195 1.00 0.67 H new ATOM 0 HG LEU A 87 -8.578 -8.099 -3.583 1.00 1.25 H new ATOM 0 HD11 LEU A 87 -6.745 -9.524 -2.704 1.00 1.63 H new ATOM 0 HD12 LEU A 87 -7.603 -10.337 -4.034 1.00 1.63 H new ATOM 0 HD13 LEU A 87 -6.016 -9.585 -4.327 1.00 1.63 H new ATOM 0 HD21 LEU A 87 -6.523 -7.035 -2.696 1.00 1.34 H new ATOM 0 HD22 LEU A 87 -5.791 -7.097 -4.316 1.00 1.34 H new ATOM 0 HD23 LEU A 87 -7.218 -6.075 -4.024 1.00 1.34 H new ATOM 1379 N SER A 88 -8.749 -6.561 -8.435 1.00 0.01 N ATOM 1380 CA SER A 88 -9.437 -6.706 -9.749 1.00 0.01 C ATOM 1381 C SER A 88 -8.697 -7.763 -10.569 1.00 0.01 C ATOM 1382 O SER A 88 -7.513 -7.625 -10.806 1.00 0.01 O ATOM 1383 CB SER A 88 -9.409 -5.370 -10.493 1.00 0.81 C ATOM 1384 OG SER A 88 -9.740 -5.584 -11.859 1.00 1.08 O ATOM 0 H SER A 88 -7.820 -6.143 -8.486 1.00 0.01 H new ATOM 0 HA SER A 88 -10.474 -7.007 -9.597 1.00 0.01 H new ATOM 0 HB2 SER A 88 -10.116 -4.674 -10.041 1.00 0.81 H new ATOM 0 HB3 SER A 88 -8.421 -4.917 -10.413 1.00 0.81 H new ATOM 0 HG SER A 88 -9.724 -4.729 -12.337 1.00 1.08 H new ATOM 1390 N SER A 89 -9.358 -8.781 -11.054 1.00 0.01 N ATOM 1391 CA SER A 89 -8.650 -9.786 -11.910 1.00 0.01 C ATOM 1392 C SER A 89 -9.045 -9.476 -13.348 1.00 0.01 C ATOM 1393 O SER A 89 -9.440 -8.363 -13.633 1.00 0.01 O ATOM 1394 CB SER A 89 -9.104 -11.200 -11.546 1.00 0.43 C ATOM 1395 OG SER A 89 -8.282 -12.145 -12.218 1.00 1.26 O ATOM 0 H SER A 89 -10.350 -8.962 -10.898 1.00 0.01 H new ATOM 0 HA SER A 89 -7.570 -9.733 -11.769 1.00 0.01 H new ATOM 0 HB2 SER A 89 -9.042 -11.348 -10.468 1.00 0.43 H new ATOM 0 HB3 SER A 89 -10.147 -11.343 -11.827 1.00 0.43 H new ATOM 0 HG SER A 89 -8.569 -13.053 -11.985 1.00 1.26 H new ATOM 1401 N GLY A 90 -8.992 -10.417 -14.258 1.00 0.01 N ATOM 1402 CA GLY A 90 -9.424 -10.116 -15.660 1.00 0.00 C ATOM 1403 C GLY A 90 -8.458 -10.694 -16.695 1.00 0.00 C ATOM 1404 O GLY A 90 -8.878 -11.330 -17.641 1.00 0.01 O ATOM 0 H GLY A 90 -8.672 -11.372 -14.095 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -10.421 -10.524 -15.827 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.495 -9.037 -15.793 1.00 0.00 H new ATOM 1408 N GLY A 91 -7.172 -10.499 -16.546 1.00 0.00 N ATOM 1409 CA GLY A 91 -6.243 -11.074 -17.556 1.00 0.00 C ATOM 1410 C GLY A 91 -4.775 -10.745 -17.250 1.00 0.00 C ATOM 1411 O GLY A 91 -4.147 -11.406 -16.447 1.00 0.01 O ATOM 0 H GLY A 91 -6.736 -9.978 -15.785 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.371 -12.156 -17.590 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.501 -10.691 -18.543 1.00 0.00 H new ATOM 1415 N GLN A 92 -4.221 -9.741 -17.893 1.00 1.80 N ATOM 1416 CA GLN A 92 -2.779 -9.379 -17.649 1.00 2.31 C ATOM 1417 C GLN A 92 -2.655 -7.923 -17.188 1.00 1.91 C ATOM 1418 O GLN A 92 -3.054 -6.998 -17.867 1.00 2.31 O ATOM 1419 CB GLN A 92 -1.987 -9.598 -18.942 1.00 2.11 C ATOM 1420 CG GLN A 92 -0.489 -9.585 -18.631 1.00 2.86 C ATOM 1421 CD GLN A 92 0.303 -9.468 -19.934 1.00 3.70 C ATOM 1422 OE1 GLN A 92 -0.264 -9.246 -20.985 1.00 3.99 O ATOM 1423 NE2 GLN A 92 1.601 -9.609 -19.910 1.00 4.43 N ATOM 0 H GLN A 92 -4.702 -9.156 -18.576 1.00 1.80 H new ATOM 0 HA GLN A 92 -2.377 -10.014 -16.860 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -2.267 -10.549 -19.396 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -2.226 -8.817 -19.664 1.00 2.11 H new ATOM 0 HG2 GLN A 92 -0.251 -8.750 -17.972 1.00 2.86 H new ATOM 0 HG3 GLN A 92 -0.209 -10.497 -18.103 1.00 2.86 H new ATOM 0 HE21 GLN A 92 2.078 -9.795 -19.028 1.00 4.43 H new ATOM 0 HE22 GLN A 92 2.138 -9.533 -20.774 1.00 4.43 H new ATOM 1432 N ALA A 93 -2.097 -7.733 -16.018 1.00 0.01 N ATOM 1433 CA ALA A 93 -1.937 -6.351 -15.482 1.00 0.01 C ATOM 1434 C ALA A 93 -0.761 -5.669 -16.191 1.00 0.01 C ATOM 1435 O ALA A 93 0.307 -6.232 -16.321 1.00 0.01 O ATOM 1436 CB ALA A 93 -1.661 -6.412 -13.975 1.00 2.99 C ATOM 0 H ALA A 93 -1.747 -8.476 -15.413 1.00 0.01 H new ATOM 0 HA ALA A 93 -2.851 -5.783 -15.657 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -1.544 -5.401 -13.585 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -2.495 -6.901 -13.472 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -0.747 -6.978 -13.795 1.00 2.99 H new ATOM 1442 N LYS A 94 -0.959 -4.460 -16.654 1.00 0.00 N ATOM 1443 CA LYS A 94 0.130 -3.718 -17.369 1.00 0.01 C ATOM 1444 C LYS A 94 0.247 -2.305 -16.784 1.00 0.01 C ATOM 1445 O LYS A 94 -0.744 -1.666 -16.493 1.00 0.01 O ATOM 1446 CB LYS A 94 -0.243 -3.647 -18.852 1.00 2.49 C ATOM 1447 CG LYS A 94 0.886 -2.969 -19.634 1.00 3.43 C ATOM 1448 CD LYS A 94 0.727 -3.262 -21.130 1.00 4.11 C ATOM 1449 CE LYS A 94 -0.627 -2.742 -21.615 1.00 5.23 C ATOM 1450 NZ LYS A 94 -0.634 -2.694 -23.105 1.00 6.36 N ATOM 0 H LYS A 94 -1.837 -3.949 -16.567 1.00 0.00 H new ATOM 0 HA LYS A 94 1.088 -4.225 -17.251 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -0.418 -4.650 -19.242 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -1.171 -3.090 -18.978 1.00 2.49 H new ATOM 0 HG2 LYS A 94 0.866 -1.893 -19.460 1.00 3.43 H new ATOM 0 HG3 LYS A 94 1.853 -3.331 -19.283 1.00 3.43 H new ATOM 0 HD2 LYS A 94 1.532 -2.787 -21.691 1.00 4.11 H new ATOM 0 HD3 LYS A 94 0.802 -4.334 -21.311 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -1.427 -3.390 -21.257 1.00 5.23 H new ATOM 0 HE3 LYS A 94 -0.815 -1.749 -21.207 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -1.554 -2.341 -23.437 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 0.120 -2.059 -23.435 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 -0.473 -3.649 -23.484 1.00 6.36 H new ATOM 1464 N ILE A 95 1.457 -1.817 -16.606 1.00 0.00 N ATOM 1465 CA ILE A 95 1.651 -0.443 -16.028 1.00 0.01 C ATOM 1466 C ILE A 95 2.543 0.385 -16.957 1.00 0.01 C ATOM 1467 O ILE A 95 3.496 -0.105 -17.534 1.00 0.01 O ATOM 1468 CB ILE A 95 2.303 -0.560 -14.643 1.00 0.34 C ATOM 1469 CG1 ILE A 95 2.700 0.831 -14.137 1.00 0.30 C ATOM 1470 CG2 ILE A 95 3.549 -1.443 -14.727 1.00 0.36 C ATOM 1471 CD1 ILE A 95 3.039 0.756 -12.647 1.00 1.09 C ATOM 0 H ILE A 95 2.319 -2.312 -16.836 1.00 0.00 H new ATOM 0 HA ILE A 95 0.685 0.052 -15.930 1.00 0.01 H new ATOM 0 HB ILE A 95 1.588 -1.008 -13.953 1.00 0.34 H new ATOM 0 HG12 ILE A 95 3.558 1.202 -14.698 1.00 0.30 H new ATOM 0 HG13 ILE A 95 1.884 1.535 -14.300 1.00 0.30 H new ATOM 0 HG21 ILE A 95 4.006 -1.522 -13.741 1.00 0.36 H new ATOM 0 HG22 ILE A 95 3.268 -2.436 -15.077 1.00 0.36 H new ATOM 0 HG23 ILE A 95 4.262 -1.001 -15.423 1.00 0.36 H new ATOM 0 HD11 ILE A 95 3.321 1.746 -12.288 1.00 1.09 H new ATOM 0 HD12 ILE A 95 2.169 0.404 -12.093 1.00 1.09 H new ATOM 0 HD13 ILE A 95 3.869 0.065 -12.497 1.00 1.09 H new ATOM 1483 N GLN A 96 2.254 1.661 -17.063 1.00 0.01 N ATOM 1484 CA GLN A 96 3.081 2.588 -17.895 1.00 0.01 C ATOM 1485 C GLN A 96 3.552 3.732 -16.988 1.00 0.01 C ATOM 1486 O GLN A 96 2.755 4.328 -16.281 1.00 0.00 O ATOM 1487 CB GLN A 96 2.250 3.142 -19.061 1.00 0.53 C ATOM 1488 CG GLN A 96 0.815 3.378 -18.598 1.00 0.82 C ATOM 1489 CD GLN A 96 0.057 2.048 -18.566 1.00 1.25 C ATOM 1490 OE1 GLN A 96 -0.218 1.517 -17.509 1.00 1.75 O ATOM 1491 NE2 GLN A 96 -0.292 1.483 -19.689 1.00 2.05 N ATOM 0 H GLN A 96 1.463 2.106 -16.597 1.00 0.01 H new ATOM 0 HA GLN A 96 3.936 2.060 -18.317 1.00 0.01 H new ATOM 0 HB2 GLN A 96 2.685 4.074 -19.421 1.00 0.53 H new ATOM 0 HB3 GLN A 96 2.263 2.441 -19.896 1.00 0.53 H new ATOM 0 HG2 GLN A 96 0.813 3.833 -17.607 1.00 0.82 H new ATOM 0 HG3 GLN A 96 0.316 4.076 -19.270 1.00 0.82 H new ATOM 0 HE21 GLN A 96 -0.061 1.928 -20.577 1.00 2.05 H new ATOM 0 HE22 GLN A 96 -0.795 0.596 -19.679 1.00 2.05 H new ATOM 1500 N VAL A 97 4.819 4.063 -16.999 1.00 0.01 N ATOM 1501 CA VAL A 97 5.326 5.179 -16.130 1.00 0.01 C ATOM 1502 C VAL A 97 6.040 6.221 -16.994 1.00 0.01 C ATOM 1503 O VAL A 97 6.617 5.906 -18.015 1.00 0.01 O ATOM 1504 CB VAL A 97 6.316 4.615 -15.109 1.00 0.77 C ATOM 1505 CG1 VAL A 97 5.559 3.815 -14.045 1.00 1.10 C ATOM 1506 CG2 VAL A 97 7.313 3.699 -15.821 1.00 1.03 C ATOM 0 H VAL A 97 5.529 3.609 -17.573 1.00 0.01 H new ATOM 0 HA VAL A 97 4.486 5.645 -15.615 1.00 0.01 H new ATOM 0 HB VAL A 97 6.850 5.436 -14.631 1.00 0.77 H new ATOM 0 HG11 VAL A 97 6.267 3.414 -13.319 1.00 1.10 H new ATOM 0 HG12 VAL A 97 4.848 4.467 -13.537 1.00 1.10 H new ATOM 0 HG13 VAL A 97 5.023 2.994 -14.520 1.00 1.10 H new ATOM 0 HG21 VAL A 97 8.019 3.296 -15.095 1.00 1.03 H new ATOM 0 HG22 VAL A 97 6.777 2.879 -16.299 1.00 1.03 H new ATOM 0 HG23 VAL A 97 7.854 4.268 -16.577 1.00 1.03 H new ATOM 1516 N PHE A 98 5.976 7.470 -16.590 1.00 0.01 N ATOM 1517 CA PHE A 98 6.621 8.569 -17.381 1.00 0.01 C ATOM 1518 C PHE A 98 7.705 9.276 -16.558 1.00 0.01 C ATOM 1519 O PHE A 98 7.583 9.473 -15.366 1.00 0.01 O ATOM 1520 CB PHE A 98 5.553 9.586 -17.779 1.00 0.25 C ATOM 1521 CG PHE A 98 4.670 8.996 -18.855 1.00 0.36 C ATOM 1522 CD1 PHE A 98 3.731 8.014 -18.525 1.00 0.42 C ATOM 1523 CD2 PHE A 98 4.785 9.437 -20.181 1.00 0.58 C ATOM 1524 CE1 PHE A 98 2.907 7.470 -19.516 1.00 0.56 C ATOM 1525 CE2 PHE A 98 3.960 8.894 -21.172 1.00 0.73 C ATOM 1526 CZ PHE A 98 3.021 7.910 -20.841 1.00 0.69 C ATOM 0 H PHE A 98 5.501 7.776 -15.741 1.00 0.01 H new ATOM 0 HA PHE A 98 7.086 8.135 -18.266 1.00 0.01 H new ATOM 0 HB2 PHE A 98 4.953 9.858 -16.910 1.00 0.25 H new ATOM 0 HB3 PHE A 98 6.023 10.500 -18.141 1.00 0.25 H new ATOM 0 HD1 PHE A 98 3.642 7.675 -17.503 1.00 0.42 H new ATOM 0 HD2 PHE A 98 5.510 10.195 -20.437 1.00 0.58 H new ATOM 0 HE1 PHE A 98 2.183 6.711 -19.260 1.00 0.56 H new ATOM 0 HE2 PHE A 98 4.048 9.234 -22.193 1.00 0.73 H new ATOM 0 HZ PHE A 98 2.385 7.490 -21.606 1.00 0.69 H new ATOM 1536 N GLU A 99 8.779 9.621 -17.213 1.00 0.01 N ATOM 1537 CA GLU A 99 9.919 10.283 -16.514 1.00 0.01 C ATOM 1538 C GLU A 99 9.532 11.682 -16.008 1.00 0.01 C ATOM 1539 O GLU A 99 10.068 12.147 -15.020 1.00 0.01 O ATOM 1540 CB GLU A 99 11.103 10.403 -17.475 1.00 0.01 C ATOM 1541 CG GLU A 99 12.342 10.870 -16.709 1.00 0.01 C ATOM 1542 CD GLU A 99 13.576 10.732 -17.603 1.00 0.01 C ATOM 1543 OE1 GLU A 99 13.430 10.870 -18.806 1.00 0.02 O ATOM 1544 OE2 GLU A 99 14.645 10.487 -17.069 1.00 0.01 O ATOM 0 H GLU A 99 8.918 9.471 -18.212 1.00 0.01 H new ATOM 0 HA GLU A 99 10.190 9.672 -15.653 1.00 0.01 H new ATOM 0 HB2 GLU A 99 11.298 9.441 -17.950 1.00 0.01 H new ATOM 0 HB3 GLU A 99 10.868 11.109 -18.271 1.00 0.01 H new ATOM 0 HG2 GLU A 99 12.220 11.907 -16.397 1.00 0.01 H new ATOM 0 HG3 GLU A 99 12.468 10.277 -15.803 1.00 0.01 H new ATOM 1551 N LYS A 100 8.620 12.361 -16.669 1.00 0.01 N ATOM 1552 CA LYS A 100 8.217 13.738 -16.217 1.00 0.01 C ATOM 1553 C LYS A 100 6.743 13.752 -15.801 1.00 0.01 C ATOM 1554 O LYS A 100 6.015 12.802 -16.008 1.00 0.01 O ATOM 1555 CB LYS A 100 8.432 14.739 -17.354 1.00 0.94 C ATOM 1556 CG LYS A 100 9.932 14.884 -17.630 1.00 1.63 C ATOM 1557 CD LYS A 100 10.163 16.061 -18.578 1.00 2.19 C ATOM 1558 CE LYS A 100 11.666 16.288 -18.759 1.00 2.84 C ATOM 1559 NZ LYS A 100 12.232 15.206 -19.613 1.00 3.18 N ATOM 0 H LYS A 100 8.137 12.023 -17.501 1.00 0.01 H new ATOM 0 HA LYS A 100 8.831 14.017 -15.361 1.00 0.01 H new ATOM 0 HB2 LYS A 100 7.917 14.401 -18.253 1.00 0.94 H new ATOM 0 HB3 LYS A 100 8.005 15.706 -17.087 1.00 0.94 H new ATOM 0 HG2 LYS A 100 10.471 15.044 -16.696 1.00 1.63 H new ATOM 0 HG3 LYS A 100 10.322 13.966 -18.070 1.00 1.63 H new ATOM 0 HD2 LYS A 100 9.697 15.861 -19.543 1.00 2.19 H new ATOM 0 HD3 LYS A 100 9.695 16.960 -18.178 1.00 2.19 H new ATOM 0 HE2 LYS A 100 11.845 17.260 -19.219 1.00 2.84 H new ATOM 0 HE3 LYS A 100 12.163 16.298 -17.789 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 13.214 15.439 -19.862 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 12.211 14.306 -19.092 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 11.666 15.117 -20.481 1.00 3.18 H new ATOM 1573 N GLY A 101 6.311 14.825 -15.197 1.00 0.01 N ATOM 1574 CA GLY A 101 4.895 14.927 -14.733 1.00 0.01 C ATOM 1575 C GLY A 101 3.933 15.037 -15.920 1.00 0.00 C ATOM 1576 O GLY A 101 4.322 15.311 -17.038 1.00 0.01 O ATOM 0 H GLY A 101 6.884 15.646 -15.002 1.00 0.01 H new ATOM 0 HA2 GLY A 101 4.641 14.052 -14.135 1.00 0.01 H new ATOM 0 HA3 GLY A 101 4.782 15.798 -14.087 1.00 0.01 H new ATOM 1580 N ASP A 102 2.667 14.843 -15.655 1.00 0.01 N ATOM 1581 CA ASP A 102 1.620 14.949 -16.713 1.00 0.00 C ATOM 1582 C ASP A 102 1.910 14.006 -17.883 1.00 0.00 C ATOM 1583 O ASP A 102 1.678 14.328 -19.031 1.00 0.01 O ATOM 1584 CB ASP A 102 1.554 16.390 -17.221 1.00 0.01 C ATOM 1585 CG ASP A 102 1.235 17.326 -16.054 1.00 0.01 C ATOM 1586 OD1 ASP A 102 0.072 17.425 -15.702 1.00 0.01 O ATOM 1587 OD2 ASP A 102 2.160 17.925 -15.532 1.00 0.01 O ATOM 0 H ASP A 102 2.308 14.610 -14.729 1.00 0.01 H new ATOM 0 HA ASP A 102 0.664 14.661 -16.276 1.00 0.00 H new ATOM 0 HB2 ASP A 102 2.503 16.670 -17.677 1.00 0.01 H new ATOM 0 HB3 ASP A 102 0.790 16.480 -17.993 1.00 0.01 H new ATOM 1592 N PHE A 103 2.379 12.827 -17.586 1.00 0.01 N ATOM 1593 CA PHE A 103 2.650 11.824 -18.653 1.00 0.01 C ATOM 1594 C PHE A 103 3.522 12.417 -19.761 1.00 0.00 C ATOM 1595 O PHE A 103 3.182 12.362 -20.926 1.00 0.01 O ATOM 1596 CB PHE A 103 1.318 11.352 -19.248 1.00 0.01 C ATOM 1597 CG PHE A 103 0.307 11.172 -18.136 1.00 0.00 C ATOM 1598 CD1 PHE A 103 0.507 10.187 -17.163 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -0.830 11.993 -18.077 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -0.425 10.019 -16.131 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -1.761 11.825 -17.045 1.00 0.01 C ATOM 1602 CZ PHE A 103 -1.559 10.839 -16.073 1.00 0.01 C ATOM 0 H PHE A 103 2.589 12.512 -16.639 1.00 0.01 H new ATOM 0 HA PHE A 103 3.186 10.984 -18.211 1.00 0.01 H new ATOM 0 HB2 PHE A 103 0.952 12.080 -19.973 1.00 0.01 H new ATOM 0 HB3 PHE A 103 1.458 10.413 -19.783 1.00 0.01 H new ATOM 0 HD1 PHE A 103 1.382 9.555 -17.208 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -0.987 12.754 -18.827 1.00 0.01 H new ATOM 0 HE1 PHE A 103 -0.269 9.258 -15.381 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -2.636 12.457 -16.999 1.00 0.01 H new ATOM 0 HZ PHE A 103 -2.278 10.710 -15.277 1.00 0.01 H new ATOM 1612 N ASN A 104 4.661 12.958 -19.408 1.00 0.00 N ATOM 1613 CA ASN A 104 5.592 13.533 -20.430 1.00 0.01 C ATOM 1614 C ASN A 104 6.986 12.954 -20.184 1.00 0.01 C ATOM 1615 O ASN A 104 7.244 12.355 -19.158 1.00 0.01 O ATOM 1616 CB ASN A 104 5.642 15.056 -20.290 1.00 1.68 C ATOM 1617 CG ASN A 104 6.488 15.644 -21.421 1.00 2.31 C ATOM 1618 OD1 ASN A 104 6.644 15.032 -22.460 1.00 3.15 O ATOM 1619 ND2 ASN A 104 7.043 16.814 -21.265 1.00 2.38 N ATOM 0 H ASN A 104 4.990 13.027 -18.445 1.00 0.00 H new ATOM 0 HA ASN A 104 5.246 13.283 -21.433 1.00 0.01 H new ATOM 0 HB2 ASN A 104 4.634 15.468 -20.323 1.00 1.68 H new ATOM 0 HB3 ASN A 104 6.066 15.329 -19.324 1.00 1.68 H new ATOM 0 HD21 ASN A 104 7.607 17.215 -22.014 1.00 2.38 H new ATOM 0 HD22 ASN A 104 6.913 17.328 -20.394 1.00 2.38 H new ATOM 1626 N GLY A 105 7.889 13.108 -21.118 1.00 0.01 N ATOM 1627 CA GLY A 105 9.263 12.553 -20.931 1.00 0.01 C ATOM 1628 C GLY A 105 9.323 11.145 -21.520 1.00 0.01 C ATOM 1629 O GLY A 105 8.452 10.741 -22.263 1.00 0.01 O ATOM 0 H GLY A 105 7.734 13.594 -22.001 1.00 0.01 H new ATOM 0 HA2 GLY A 105 9.997 13.195 -21.419 1.00 0.01 H new ATOM 0 HA3 GLY A 105 9.516 12.527 -19.871 1.00 0.01 H new ATOM 1633 N GLN A 106 10.328 10.382 -21.187 1.00 0.01 N ATOM 1634 CA GLN A 106 10.413 8.997 -21.725 1.00 0.01 C ATOM 1635 C GLN A 106 9.408 8.119 -20.980 1.00 0.01 C ATOM 1636 O GLN A 106 9.156 8.300 -19.804 1.00 0.01 O ATOM 1637 CB GLN A 106 11.825 8.451 -21.513 1.00 0.01 C ATOM 1638 CG GLN A 106 11.970 7.116 -22.246 1.00 0.01 C ATOM 1639 CD GLN A 106 13.369 6.549 -22.003 1.00 0.01 C ATOM 1640 OE1 GLN A 106 13.811 5.666 -22.710 1.00 0.01 O ATOM 1641 NE2 GLN A 106 14.090 7.022 -21.024 1.00 0.01 N ATOM 0 H GLN A 106 11.091 10.657 -20.568 1.00 0.01 H new ATOM 0 HA GLN A 106 10.187 8.998 -22.791 1.00 0.01 H new ATOM 0 HB2 GLN A 106 12.562 9.164 -21.884 1.00 0.01 H new ATOM 0 HB3 GLN A 106 12.019 8.317 -20.449 1.00 0.01 H new ATOM 0 HG2 GLN A 106 11.215 6.413 -21.895 1.00 0.01 H new ATOM 0 HG3 GLN A 106 11.803 7.256 -23.314 1.00 0.01 H new ATOM 0 HE21 GLN A 106 13.719 7.764 -20.430 1.00 0.01 H new ATOM 0 HE22 GLN A 106 15.024 6.650 -20.853 1.00 0.01 H new ATOM 1650 N MET A 107 8.823 7.175 -21.675 1.00 0.01 N ATOM 1651 CA MET A 107 7.812 6.268 -21.044 1.00 0.01 C ATOM 1652 C MET A 107 8.318 4.826 -21.067 1.00 0.01 C ATOM 1653 O MET A 107 8.917 4.375 -22.023 1.00 0.01 O ATOM 1654 CB MET A 107 6.499 6.343 -21.831 1.00 0.00 C ATOM 1655 CG MET A 107 5.423 5.491 -21.145 1.00 0.01 C ATOM 1656 SD MET A 107 5.632 3.752 -21.610 1.00 0.01 S ATOM 1657 CE MET A 107 4.507 3.754 -23.029 1.00 0.01 C ATOM 0 H MET A 107 9.004 6.992 -22.662 1.00 0.01 H new ATOM 0 HA MET A 107 7.650 6.582 -20.013 1.00 0.01 H new ATOM 0 HB2 MET A 107 6.165 7.378 -21.899 1.00 0.00 H new ATOM 0 HB3 MET A 107 6.657 5.992 -22.851 1.00 0.00 H new ATOM 0 HG2 MET A 107 5.495 5.599 -20.063 1.00 0.01 H new ATOM 0 HG3 MET A 107 4.431 5.838 -21.435 1.00 0.01 H new ATOM 0 HE1 MET A 107 4.483 2.760 -23.476 1.00 0.01 H new ATOM 0 HE2 MET A 107 3.505 4.028 -22.699 1.00 0.01 H new ATOM 0 HE3 MET A 107 4.855 4.476 -23.768 1.00 0.01 H new ATOM 1667 N TYR A 108 8.045 4.094 -20.019 1.00 0.01 N ATOM 1668 CA TYR A 108 8.455 2.658 -19.940 1.00 0.00 C ATOM 1669 C TYR A 108 7.226 1.845 -19.518 1.00 0.01 C ATOM 1670 O TYR A 108 6.490 2.225 -18.627 1.00 0.01 O ATOM 1671 CB TYR A 108 9.563 2.489 -18.895 1.00 0.54 C ATOM 1672 CG TYR A 108 10.888 2.922 -19.479 1.00 0.60 C ATOM 1673 CD1 TYR A 108 11.539 2.109 -20.415 1.00 1.24 C ATOM 1674 CD2 TYR A 108 11.469 4.134 -19.083 1.00 0.93 C ATOM 1675 CE1 TYR A 108 12.769 2.507 -20.954 1.00 1.76 C ATOM 1676 CE2 TYR A 108 12.697 4.532 -19.622 1.00 1.51 C ATOM 1677 CZ TYR A 108 13.347 3.719 -20.558 1.00 1.82 C ATOM 1678 OH TYR A 108 14.559 4.112 -21.089 1.00 2.48 O ATOM 0 H TYR A 108 7.546 4.437 -19.198 1.00 0.01 H new ATOM 0 HA TYR A 108 8.831 2.317 -20.905 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.334 3.082 -18.010 1.00 0.54 H new ATOM 0 HB3 TYR A 108 9.619 1.448 -18.576 1.00 0.54 H new ATOM 0 HD1 TYR A 108 11.092 1.175 -20.721 1.00 1.24 H new ATOM 0 HD2 TYR A 108 10.968 4.762 -18.361 1.00 0.93 H new ATOM 0 HE1 TYR A 108 13.271 1.879 -21.675 1.00 1.76 H new ATOM 0 HE2 TYR A 108 13.144 5.467 -19.316 1.00 1.51 H new ATOM 0 HH TYR A 108 14.424 4.449 -21.999 1.00 2.48 H new ATOM 1688 N GLU A 109 6.992 0.740 -20.180 1.00 0.01 N ATOM 1689 CA GLU A 109 5.799 -0.115 -19.872 1.00 0.01 C ATOM 1690 C GLU A 109 6.255 -1.521 -19.485 1.00 0.01 C ATOM 1691 O GLU A 109 7.118 -2.098 -20.116 1.00 0.01 O ATOM 1692 CB GLU A 109 4.920 -0.179 -21.126 1.00 0.01 C ATOM 1693 CG GLU A 109 3.674 -1.035 -20.853 1.00 0.01 C ATOM 1694 CD GLU A 109 4.023 -2.522 -20.976 1.00 0.00 C ATOM 1695 OE1 GLU A 109 4.209 -2.975 -22.094 1.00 0.00 O ATOM 1696 OE2 GLU A 109 4.098 -3.180 -19.951 1.00 0.00 O ATOM 0 H GLU A 109 7.584 0.387 -20.932 1.00 0.01 H new ATOM 0 HA GLU A 109 5.237 0.308 -19.040 1.00 0.01 H new ATOM 0 HB2 GLU A 109 4.622 0.827 -21.423 1.00 0.01 H new ATOM 0 HB3 GLU A 109 5.487 -0.602 -21.956 1.00 0.01 H new ATOM 0 HG2 GLU A 109 3.290 -0.825 -19.855 1.00 0.01 H new ATOM 0 HG3 GLU A 109 2.884 -0.779 -21.559 1.00 0.01 H new ATOM 1703 N THR A 110 5.684 -2.083 -18.446 1.00 0.01 N ATOM 1704 CA THR A 110 6.097 -3.455 -18.029 1.00 0.00 C ATOM 1705 C THR A 110 4.931 -4.194 -17.364 1.00 0.01 C ATOM 1706 O THR A 110 4.028 -3.606 -16.799 1.00 0.01 O ATOM 1707 CB THR A 110 7.263 -3.369 -17.042 1.00 1.21 C ATOM 1708 OG1 THR A 110 7.653 -4.680 -16.659 1.00 1.65 O ATOM 1709 CG2 THR A 110 6.833 -2.582 -15.805 1.00 1.69 C ATOM 0 H THR A 110 4.956 -1.653 -17.875 1.00 0.01 H new ATOM 0 HA THR A 110 6.404 -4.004 -18.919 1.00 0.00 H new ATOM 0 HB THR A 110 8.103 -2.862 -17.516 1.00 1.21 H new ATOM 0 HG1 THR A 110 8.068 -5.134 -17.422 1.00 1.65 H new ATOM 0 HG21 THR A 110 7.666 -2.523 -15.104 1.00 1.69 H new ATOM 0 HG22 THR A 110 6.534 -1.576 -16.100 1.00 1.69 H new ATOM 0 HG23 THR A 110 5.992 -3.085 -15.328 1.00 1.69 H new ATOM 1717 N THR A 111 4.960 -5.498 -17.450 1.00 0.00 N ATOM 1718 CA THR A 111 3.885 -6.347 -16.846 1.00 0.01 C ATOM 1719 C THR A 111 4.435 -7.095 -15.630 1.00 0.01 C ATOM 1720 O THR A 111 3.799 -7.992 -15.113 1.00 0.01 O ATOM 1721 CB THR A 111 3.400 -7.357 -17.888 1.00 0.01 C ATOM 1722 OG1 THR A 111 4.418 -8.320 -18.123 1.00 0.01 O ATOM 1723 CG2 THR A 111 3.073 -6.630 -19.194 1.00 0.01 C ATOM 0 H THR A 111 5.697 -6.022 -17.922 1.00 0.00 H new ATOM 0 HA THR A 111 3.056 -5.713 -16.530 1.00 0.01 H new ATOM 0 HB THR A 111 2.504 -7.857 -17.519 1.00 0.01 H new ATOM 0 HG1 THR A 111 5.236 -7.866 -18.415 1.00 0.01 H new ATOM 0 HG21 THR A 111 2.728 -7.351 -19.935 1.00 0.01 H new ATOM 0 HG22 THR A 111 2.291 -5.892 -19.014 1.00 0.01 H new ATOM 0 HG23 THR A 111 3.967 -6.128 -19.565 1.00 0.01 H new ATOM 1731 N GLU A 112 5.625 -6.753 -15.185 1.00 0.01 N ATOM 1732 CA GLU A 112 6.240 -7.469 -14.016 1.00 0.01 C ATOM 1733 C GLU A 112 6.544 -6.493 -12.869 1.00 0.01 C ATOM 1734 O GLU A 112 6.607 -5.294 -13.053 1.00 0.01 O ATOM 1735 CB GLU A 112 7.546 -8.136 -14.471 1.00 0.85 C ATOM 1736 CG GLU A 112 7.371 -8.711 -15.882 1.00 1.61 C ATOM 1737 CD GLU A 112 7.485 -7.588 -16.916 1.00 2.51 C ATOM 1738 OE1 GLU A 112 8.484 -6.887 -16.893 1.00 3.21 O ATOM 1739 OE2 GLU A 112 6.573 -7.446 -17.712 1.00 3.07 O ATOM 0 H GLU A 112 6.198 -6.008 -15.582 1.00 0.01 H new ATOM 0 HA GLU A 112 5.534 -8.217 -13.654 1.00 0.01 H new ATOM 0 HB2 GLU A 112 8.358 -7.409 -14.463 1.00 0.85 H new ATOM 0 HB3 GLU A 112 7.821 -8.930 -13.776 1.00 0.85 H new ATOM 0 HG2 GLU A 112 8.129 -9.471 -16.072 1.00 1.61 H new ATOM 0 HG3 GLU A 112 6.401 -9.200 -15.968 1.00 1.61 H new ATOM 1746 N ASP A 113 6.760 -7.019 -11.692 1.00 0.01 N ATOM 1747 CA ASP A 113 7.094 -6.155 -10.521 1.00 0.01 C ATOM 1748 C ASP A 113 8.462 -5.517 -10.770 1.00 0.00 C ATOM 1749 O ASP A 113 9.283 -6.056 -11.486 1.00 0.01 O ATOM 1750 CB ASP A 113 7.163 -7.016 -9.259 1.00 0.01 C ATOM 1751 CG ASP A 113 5.752 -7.441 -8.853 1.00 0.01 C ATOM 1752 OD1 ASP A 113 5.057 -7.992 -9.691 1.00 0.00 O ATOM 1753 OD2 ASP A 113 5.390 -7.211 -7.712 1.00 0.00 O ATOM 0 H ASP A 113 6.719 -8.018 -11.490 1.00 0.01 H new ATOM 0 HA ASP A 113 6.334 -5.385 -10.392 1.00 0.01 H new ATOM 0 HB2 ASP A 113 7.781 -7.895 -9.439 1.00 0.01 H new ATOM 0 HB3 ASP A 113 7.633 -6.457 -8.450 1.00 0.01 H new ATOM 1758 N CYS A 114 8.725 -4.384 -10.157 1.00 0.01 N ATOM 1759 CA CYS A 114 10.052 -3.710 -10.321 1.00 0.01 C ATOM 1760 C CYS A 114 10.678 -3.505 -8.923 1.00 0.01 C ATOM 1761 O CYS A 114 10.180 -2.699 -8.157 1.00 0.01 O ATOM 1762 CB CYS A 114 9.832 -2.339 -10.963 1.00 0.01 C ATOM 1763 SG CYS A 114 11.363 -1.378 -10.877 1.00 0.01 S ATOM 0 H CYS A 114 8.071 -3.895 -9.546 1.00 0.01 H new ATOM 0 HA CYS A 114 10.708 -4.317 -10.945 1.00 0.01 H new ATOM 0 HB2 CYS A 114 9.523 -2.458 -12.001 1.00 0.01 H new ATOM 0 HB3 CYS A 114 9.029 -1.810 -10.450 1.00 0.01 H new ATOM 0 HG CYS A 114 12.379 -2.186 -10.806 1.00 0.01 H new ATOM 1769 N PRO A 115 11.758 -4.191 -8.572 1.00 0.01 N ATOM 1770 CA PRO A 115 12.381 -3.985 -7.233 1.00 0.01 C ATOM 1771 C PRO A 115 13.190 -2.684 -7.181 1.00 0.01 C ATOM 1772 O PRO A 115 13.275 -2.040 -6.153 1.00 0.01 O ATOM 1773 CB PRO A 115 13.285 -5.221 -7.100 1.00 0.01 C ATOM 1774 CG PRO A 115 13.502 -5.797 -8.511 1.00 0.01 C ATOM 1775 CD PRO A 115 12.424 -5.208 -9.443 1.00 0.01 C ATOM 0 HA PRO A 115 11.656 -3.888 -6.425 1.00 0.01 H new ATOM 0 HB2 PRO A 115 14.239 -4.950 -6.647 1.00 0.01 H new ATOM 0 HB3 PRO A 115 12.823 -5.964 -6.450 1.00 0.01 H new ATOM 0 HG2 PRO A 115 14.498 -5.545 -8.875 1.00 0.01 H new ATOM 0 HG3 PRO A 115 13.435 -6.885 -8.492 1.00 0.01 H new ATOM 0 HD2 PRO A 115 12.861 -4.755 -10.333 1.00 0.01 H new ATOM 0 HD3 PRO A 115 11.723 -5.970 -9.785 1.00 0.01 H new ATOM 1783 N SER A 116 13.789 -2.296 -8.277 1.00 0.01 N ATOM 1784 CA SER A 116 14.598 -1.040 -8.294 1.00 0.02 C ATOM 1785 C SER A 116 14.369 -0.323 -9.624 1.00 0.01 C ATOM 1786 O SER A 116 14.811 -0.758 -10.670 1.00 0.00 O ATOM 1787 CB SER A 116 16.078 -1.389 -8.144 1.00 0.01 C ATOM 1788 OG SER A 116 16.387 -2.496 -8.981 1.00 0.01 O ATOM 0 H SER A 116 13.753 -2.797 -9.165 1.00 0.01 H new ATOM 0 HA SER A 116 14.298 -0.391 -7.471 1.00 0.02 H new ATOM 0 HB2 SER A 116 16.695 -0.532 -8.413 1.00 0.01 H new ATOM 0 HB3 SER A 116 16.303 -1.630 -7.105 1.00 0.01 H new ATOM 0 HG SER A 116 17.336 -2.721 -8.888 1.00 0.01 H new ATOM 1794 N ILE A 117 13.652 0.764 -9.580 1.00 0.01 N ATOM 1795 CA ILE A 117 13.345 1.524 -10.822 1.00 0.01 C ATOM 1796 C ILE A 117 14.634 2.067 -11.447 1.00 0.01 C ATOM 1797 O ILE A 117 14.766 2.104 -12.653 1.00 0.00 O ATOM 1798 CB ILE A 117 12.371 2.676 -10.467 1.00 0.57 C ATOM 1799 CG1 ILE A 117 10.921 2.198 -10.661 1.00 1.44 C ATOM 1800 CG2 ILE A 117 12.609 3.908 -11.354 1.00 0.93 C ATOM 1801 CD1 ILE A 117 9.937 3.201 -10.051 1.00 1.83 C ATOM 0 H ILE A 117 13.261 1.163 -8.726 1.00 0.01 H new ATOM 0 HA ILE A 117 12.876 0.868 -11.555 1.00 0.01 H new ATOM 0 HB ILE A 117 12.548 2.957 -9.429 1.00 0.57 H new ATOM 0 HG12 ILE A 117 10.712 2.075 -11.724 1.00 1.44 H new ATOM 0 HG13 ILE A 117 10.789 1.221 -10.195 1.00 1.44 H new ATOM 0 HG21 ILE A 117 11.909 4.696 -11.078 1.00 0.93 H new ATOM 0 HG22 ILE A 117 13.630 4.264 -11.215 1.00 0.93 H new ATOM 0 HG23 ILE A 117 12.458 3.638 -12.399 1.00 0.93 H new ATOM 0 HD11 ILE A 117 8.917 2.846 -10.198 1.00 1.83 H new ATOM 0 HD12 ILE A 117 10.135 3.302 -8.984 1.00 1.83 H new ATOM 0 HD13 ILE A 117 10.057 4.170 -10.536 1.00 1.83 H new ATOM 1813 N MET A 118 15.563 2.519 -10.651 1.00 0.02 N ATOM 1814 CA MET A 118 16.803 3.086 -11.244 1.00 0.01 C ATOM 1815 C MET A 118 17.589 1.987 -11.951 1.00 0.01 C ATOM 1816 O MET A 118 18.162 2.206 -12.993 1.00 0.02 O ATOM 1817 CB MET A 118 17.670 3.730 -10.160 1.00 0.24 C ATOM 1818 CG MET A 118 18.772 4.562 -10.817 1.00 0.63 C ATOM 1819 SD MET A 118 19.934 5.128 -9.550 1.00 1.20 S ATOM 1820 CE MET A 118 21.415 5.146 -10.590 1.00 1.34 C ATOM 0 H MET A 118 15.518 2.521 -9.632 1.00 0.02 H new ATOM 0 HA MET A 118 16.524 3.852 -11.968 1.00 0.01 H new ATOM 0 HB2 MET A 118 17.057 4.361 -9.517 1.00 0.24 H new ATOM 0 HB3 MET A 118 18.110 2.960 -9.526 1.00 0.24 H new ATOM 0 HG2 MET A 118 19.295 3.967 -11.566 1.00 0.63 H new ATOM 0 HG3 MET A 118 18.338 5.417 -11.336 1.00 0.63 H new ATOM 0 HE1 MET A 118 22.271 5.472 -9.999 1.00 1.34 H new ATOM 0 HE2 MET A 118 21.601 4.144 -10.975 1.00 1.34 H new ATOM 0 HE3 MET A 118 21.266 5.833 -11.423 1.00 1.34 H new ATOM 1830 N GLU A 119 17.624 0.804 -11.418 1.00 0.01 N ATOM 1831 CA GLU A 119 18.384 -0.272 -12.102 1.00 0.02 C ATOM 1832 C GLU A 119 17.655 -0.677 -13.385 1.00 0.02 C ATOM 1833 O GLU A 119 18.268 -0.985 -14.388 1.00 0.01 O ATOM 1834 CB GLU A 119 18.500 -1.483 -11.170 1.00 0.30 C ATOM 1835 CG GLU A 119 19.388 -2.556 -11.814 1.00 0.99 C ATOM 1836 CD GLU A 119 18.584 -3.342 -12.852 1.00 1.69 C ATOM 1837 OE1 GLU A 119 17.468 -3.726 -12.541 1.00 2.07 O ATOM 1838 OE2 GLU A 119 19.097 -3.549 -13.940 1.00 2.11 O ATOM 0 H GLU A 119 17.165 0.536 -10.548 1.00 0.01 H new ATOM 0 HA GLU A 119 19.381 0.089 -12.354 1.00 0.02 H new ATOM 0 HB2 GLU A 119 18.921 -1.177 -10.213 1.00 0.30 H new ATOM 0 HB3 GLU A 119 17.510 -1.892 -10.966 1.00 0.30 H new ATOM 0 HG2 GLU A 119 20.252 -2.090 -12.287 1.00 0.99 H new ATOM 0 HG3 GLU A 119 19.770 -3.232 -11.049 1.00 0.99 H new ATOM 1845 N GLN A 120 16.350 -0.732 -13.347 1.00 0.00 N ATOM 1846 CA GLN A 120 15.582 -1.178 -14.545 1.00 0.01 C ATOM 1847 C GLN A 120 15.415 -0.059 -15.579 1.00 0.01 C ATOM 1848 O GLN A 120 15.566 -0.280 -16.765 1.00 0.01 O ATOM 1849 CB GLN A 120 14.196 -1.651 -14.099 1.00 0.52 C ATOM 1850 CG GLN A 120 13.483 -2.332 -15.270 1.00 1.07 C ATOM 1851 CD GLN A 120 12.088 -2.781 -14.829 1.00 1.08 C ATOM 1852 OE1 GLN A 120 11.497 -3.654 -15.433 1.00 0.98 O ATOM 1853 NE2 GLN A 120 11.529 -2.214 -13.795 1.00 2.08 N ATOM 0 H GLN A 120 15.782 -0.487 -12.536 1.00 0.00 H new ATOM 0 HA GLN A 120 16.142 -1.986 -15.016 1.00 0.01 H new ATOM 0 HB2 GLN A 120 14.289 -2.345 -13.264 1.00 0.52 H new ATOM 0 HB3 GLN A 120 13.608 -0.804 -13.745 1.00 0.52 H new ATOM 0 HG2 GLN A 120 13.406 -1.644 -16.112 1.00 1.07 H new ATOM 0 HG3 GLN A 120 14.061 -3.190 -15.612 1.00 1.07 H new ATOM 0 HE21 GLN A 120 12.023 -1.481 -13.286 1.00 2.08 H new ATOM 0 HE22 GLN A 120 10.598 -2.504 -13.496 1.00 2.08 H new ATOM 1862 N PHE A 121 15.029 1.119 -15.147 1.00 0.02 N ATOM 1863 CA PHE A 121 14.761 2.236 -16.115 1.00 0.01 C ATOM 1864 C PHE A 121 15.800 3.354 -16.030 1.00 0.01 C ATOM 1865 O PHE A 121 15.734 4.317 -16.768 1.00 0.01 O ATOM 1866 CB PHE A 121 13.379 2.814 -15.806 1.00 0.01 C ATOM 1867 CG PHE A 121 12.360 1.697 -15.824 1.00 0.01 C ATOM 1868 CD1 PHE A 121 12.068 1.039 -17.023 1.00 0.01 C ATOM 1869 CD2 PHE A 121 11.711 1.315 -14.641 1.00 0.01 C ATOM 1870 CE1 PHE A 121 11.130 0.000 -17.044 1.00 0.01 C ATOM 1871 CE2 PHE A 121 10.772 0.276 -14.662 1.00 0.01 C ATOM 1872 CZ PHE A 121 10.482 -0.381 -15.862 1.00 0.01 C ATOM 0 H PHE A 121 14.887 1.357 -14.165 1.00 0.02 H new ATOM 0 HA PHE A 121 14.812 1.827 -17.124 1.00 0.01 H new ATOM 0 HB2 PHE A 121 13.385 3.302 -14.831 1.00 0.01 H new ATOM 0 HB3 PHE A 121 13.116 3.574 -16.542 1.00 0.01 H new ATOM 0 HD1 PHE A 121 12.567 1.333 -17.935 1.00 0.01 H new ATOM 0 HD2 PHE A 121 11.935 1.822 -13.714 1.00 0.01 H new ATOM 0 HE1 PHE A 121 10.906 -0.507 -17.971 1.00 0.01 H new ATOM 0 HE2 PHE A 121 10.272 -0.018 -13.751 1.00 0.01 H new ATOM 0 HZ PHE A 121 9.758 -1.182 -15.877 1.00 0.01 H new ATOM 1882 N HIS A 122 16.753 3.257 -15.148 1.00 0.01 N ATOM 1883 CA HIS A 122 17.771 4.339 -15.037 1.00 0.01 C ATOM 1884 C HIS A 122 17.077 5.652 -14.664 1.00 0.01 C ATOM 1885 O HIS A 122 17.493 6.719 -15.069 1.00 0.02 O ATOM 1886 CB HIS A 122 18.510 4.482 -16.375 1.00 0.01 C ATOM 1887 CG HIS A 122 18.713 3.121 -16.980 1.00 0.01 C ATOM 1888 ND1 HIS A 122 18.640 2.903 -18.347 1.00 0.01 N ATOM 1889 CD2 HIS A 122 18.989 1.898 -16.420 1.00 0.01 C ATOM 1890 CE1 HIS A 122 18.868 1.594 -18.562 1.00 0.00 C ATOM 1891 NE2 HIS A 122 19.086 0.935 -17.420 1.00 0.01 N ATOM 0 H HIS A 122 16.872 2.478 -14.500 1.00 0.01 H new ATOM 0 HA HIS A 122 18.495 4.091 -14.261 1.00 0.01 H new ATOM 0 HB2 HIS A 122 17.936 5.112 -17.054 1.00 0.01 H new ATOM 0 HB3 HIS A 122 19.472 4.971 -16.222 1.00 0.01 H new ATOM 0 HD2 HIS A 122 19.112 1.712 -15.363 1.00 0.01 H new ATOM 0 HE1 HIS A 122 18.874 1.132 -19.538 1.00 0.00 H new ATOM 0 HE2 HIS A 122 19.281 -0.060 -17.306 1.00 0.01 H new ATOM 1899 N LEU A 123 16.019 5.577 -13.885 1.00 0.01 N ATOM 1900 CA LEU A 123 15.280 6.819 -13.466 1.00 0.01 C ATOM 1901 C LEU A 123 15.424 7.003 -11.954 1.00 0.02 C ATOM 1902 O LEU A 123 15.298 6.066 -11.191 1.00 0.01 O ATOM 1903 CB LEU A 123 13.795 6.679 -13.816 1.00 0.01 C ATOM 1904 CG LEU A 123 13.629 6.353 -15.303 1.00 0.01 C ATOM 1905 CD1 LEU A 123 12.135 6.260 -15.633 1.00 0.01 C ATOM 1906 CD2 LEU A 123 14.279 7.452 -16.159 1.00 0.01 C ATOM 0 H LEU A 123 15.634 4.706 -13.520 1.00 0.01 H new ATOM 0 HA LEU A 123 15.696 7.681 -13.987 1.00 0.01 H new ATOM 0 HB2 LEU A 123 13.344 5.892 -13.211 1.00 0.01 H new ATOM 0 HB3 LEU A 123 13.269 7.604 -13.578 1.00 0.01 H new ATOM 0 HG LEU A 123 14.115 5.402 -15.521 1.00 0.01 H new ATOM 0 HD11 LEU A 123 12.010 6.028 -16.691 1.00 0.01 H new ATOM 0 HD12 LEU A 123 11.678 5.474 -15.032 1.00 0.01 H new ATOM 0 HD13 LEU A 123 11.653 7.212 -15.411 1.00 0.01 H new ATOM 0 HD21 LEU A 123 14.156 7.211 -17.215 1.00 0.01 H new ATOM 0 HD22 LEU A 123 13.802 8.409 -15.947 1.00 0.01 H new ATOM 0 HD23 LEU A 123 15.341 7.516 -15.923 1.00 0.01 H new ATOM 1918 N ARG A 124 15.699 8.203 -11.513 1.00 0.01 N ATOM 1919 CA ARG A 124 15.866 8.445 -10.048 1.00 0.00 C ATOM 1920 C ARG A 124 14.523 8.798 -9.399 1.00 0.01 C ATOM 1921 O ARG A 124 14.358 8.682 -8.200 1.00 0.01 O ATOM 1922 CB ARG A 124 16.843 9.603 -9.837 1.00 1.67 C ATOM 1923 CG ARG A 124 18.255 9.153 -10.213 1.00 1.98 C ATOM 1924 CD ARG A 124 19.169 10.375 -10.307 1.00 2.92 C ATOM 1925 NE ARG A 124 18.629 11.323 -11.320 1.00 3.54 N ATOM 1926 CZ ARG A 124 19.056 12.556 -11.352 1.00 4.57 C ATOM 1927 NH1 ARG A 124 19.949 12.961 -10.489 1.00 5.25 N ATOM 1928 NH2 ARG A 124 18.589 13.385 -12.245 1.00 5.32 N ATOM 0 H ARG A 124 15.815 9.026 -12.104 1.00 0.01 H new ATOM 0 HA ARG A 124 16.251 7.536 -9.586 1.00 0.00 H new ATOM 0 HB2 ARG A 124 16.548 10.458 -10.446 1.00 1.67 H new ATOM 0 HB3 ARG A 124 16.818 9.929 -8.797 1.00 1.67 H new ATOM 0 HG2 ARG A 124 18.637 8.456 -9.467 1.00 1.98 H new ATOM 0 HG3 ARG A 124 18.238 8.623 -11.166 1.00 1.98 H new ATOM 0 HD2 ARG A 124 19.239 10.865 -9.336 1.00 2.92 H new ATOM 0 HD3 ARG A 124 20.178 10.067 -10.583 1.00 2.92 H new ATOM 0 HE ARG A 124 17.926 11.009 -11.989 1.00 3.54 H new ATOM 0 HH11 ARG A 124 20.313 12.314 -9.790 1.00 5.25 H new ATOM 0 HH12 ARG A 124 20.282 13.925 -10.514 1.00 5.25 H new ATOM 0 HH21 ARG A 124 17.890 13.069 -12.918 1.00 5.32 H new ATOM 0 HH22 ARG A 124 18.923 14.349 -12.270 1.00 5.32 H new ATOM 1942 N GLU A 125 13.567 9.250 -10.169 1.00 0.01 N ATOM 1943 CA GLU A 125 12.244 9.634 -9.584 1.00 0.01 C ATOM 1944 C GLU A 125 11.124 9.370 -10.596 1.00 0.01 C ATOM 1945 O GLU A 125 11.366 9.234 -11.779 1.00 0.01 O ATOM 1946 CB GLU A 125 12.256 11.126 -9.250 1.00 0.01 C ATOM 1947 CG GLU A 125 13.390 11.426 -8.267 1.00 0.01 C ATOM 1948 CD GLU A 125 13.204 12.828 -7.685 1.00 0.02 C ATOM 1949 OE1 GLU A 125 12.883 13.726 -8.446 1.00 0.01 O ATOM 1950 OE2 GLU A 125 13.386 12.980 -6.488 1.00 0.02 O ATOM 0 H GLU A 125 13.644 9.370 -11.179 1.00 0.01 H new ATOM 0 HA GLU A 125 12.070 9.043 -8.685 1.00 0.01 H new ATOM 0 HB2 GLU A 125 12.387 11.711 -10.160 1.00 0.01 H new ATOM 0 HB3 GLU A 125 11.300 11.419 -8.817 1.00 0.01 H new ATOM 0 HG2 GLU A 125 13.397 10.686 -7.466 1.00 0.01 H new ATOM 0 HG3 GLU A 125 14.353 11.356 -8.774 1.00 0.01 H new ATOM 1957 N ILE A 126 9.894 9.339 -10.141 1.00 0.01 N ATOM 1958 CA ILE A 126 8.730 9.128 -11.063 1.00 0.01 C ATOM 1959 C ILE A 126 7.715 10.235 -10.771 1.00 0.01 C ATOM 1960 O ILE A 126 7.346 10.446 -9.633 1.00 0.01 O ATOM 1961 CB ILE A 126 8.076 7.769 -10.780 1.00 1.33 C ATOM 1962 CG1 ILE A 126 9.138 6.651 -10.797 1.00 1.49 C ATOM 1963 CG2 ILE A 126 6.990 7.480 -11.828 1.00 2.17 C ATOM 1964 CD1 ILE A 126 9.838 6.546 -12.168 1.00 1.70 C ATOM 0 H ILE A 126 9.643 9.452 -9.159 1.00 0.01 H new ATOM 0 HA ILE A 126 9.059 9.150 -12.102 1.00 0.01 H new ATOM 0 HB ILE A 126 7.616 7.800 -9.792 1.00 1.33 H new ATOM 0 HG12 ILE A 126 9.881 6.844 -10.023 1.00 1.49 H new ATOM 0 HG13 ILE A 126 8.667 5.698 -10.556 1.00 1.49 H new ATOM 0 HG21 ILE A 126 6.531 6.514 -11.619 1.00 2.17 H new ATOM 0 HG22 ILE A 126 6.229 8.259 -11.788 1.00 2.17 H new ATOM 0 HG23 ILE A 126 7.439 7.462 -12.821 1.00 2.17 H new ATOM 0 HD11 ILE A 126 10.579 5.747 -12.138 1.00 1.70 H new ATOM 0 HD12 ILE A 126 9.099 6.327 -12.938 1.00 1.70 H new ATOM 0 HD13 ILE A 126 10.332 7.490 -12.398 1.00 1.70 H new ATOM 1976 N HIS A 127 7.299 10.976 -11.773 1.00 0.01 N ATOM 1977 CA HIS A 127 6.348 12.112 -11.523 1.00 0.01 C ATOM 1978 C HIS A 127 4.944 11.837 -12.067 1.00 0.01 C ATOM 1979 O HIS A 127 4.002 12.524 -11.725 1.00 0.01 O ATOM 1980 CB HIS A 127 6.901 13.386 -12.166 1.00 0.02 C ATOM 1981 CG HIS A 127 8.383 13.462 -11.926 1.00 0.01 C ATOM 1982 ND1 HIS A 127 9.252 12.480 -12.373 1.00 0.01 N ATOM 1983 CD2 HIS A 127 9.166 14.393 -11.288 1.00 0.01 C ATOM 1984 CE1 HIS A 127 10.494 12.837 -12.001 1.00 0.01 C ATOM 1985 NE2 HIS A 127 10.500 13.996 -11.337 1.00 0.02 N ATOM 0 H HIS A 127 7.574 10.846 -12.747 1.00 0.01 H new ATOM 0 HA HIS A 127 6.260 12.230 -10.443 1.00 0.01 H new ATOM 0 HB2 HIS A 127 6.694 13.386 -13.236 1.00 0.02 H new ATOM 0 HB3 HIS A 127 6.408 14.263 -11.746 1.00 0.02 H new ATOM 0 HD2 HIS A 127 8.802 15.296 -10.820 1.00 0.01 H new ATOM 0 HE1 HIS A 127 11.380 12.257 -12.213 1.00 0.01 H new ATOM 0 HE2 HIS A 127 11.307 14.485 -10.950 1.00 0.02 H new ATOM 1993 N SER A 128 4.774 10.833 -12.882 1.00 0.01 N ATOM 1994 CA SER A 128 3.410 10.526 -13.398 1.00 0.01 C ATOM 1995 C SER A 128 3.382 9.088 -13.913 1.00 0.01 C ATOM 1996 O SER A 128 4.388 8.539 -14.316 1.00 0.01 O ATOM 1997 CB SER A 128 3.060 11.484 -14.536 1.00 0.01 C ATOM 1998 OG SER A 128 4.119 11.497 -15.483 1.00 0.01 O ATOM 0 H SER A 128 5.515 10.215 -13.212 1.00 0.01 H new ATOM 0 HA SER A 128 2.682 10.644 -12.596 1.00 0.01 H new ATOM 0 HB2 SER A 128 2.132 11.173 -15.016 1.00 0.01 H new ATOM 0 HB3 SER A 128 2.895 12.488 -14.144 1.00 0.01 H new ATOM 0 HG SER A 128 4.656 12.308 -15.362 1.00 0.01 H new ATOM 2004 N CYS A 129 2.232 8.477 -13.902 1.00 0.01 N ATOM 2005 CA CYS A 129 2.114 7.073 -14.386 1.00 0.01 C ATOM 2006 C CYS A 129 0.628 6.730 -14.476 1.00 0.00 C ATOM 2007 O CYS A 129 -0.153 7.176 -13.658 1.00 0.01 O ATOM 2008 CB CYS A 129 2.804 6.126 -13.402 1.00 0.69 C ATOM 2009 SG CYS A 129 1.852 6.051 -11.866 1.00 1.22 S ATOM 0 H CYS A 129 1.360 8.893 -13.575 1.00 0.01 H new ATOM 0 HA CYS A 129 2.589 6.967 -15.361 1.00 0.01 H new ATOM 0 HB2 CYS A 129 2.889 5.131 -13.838 1.00 0.69 H new ATOM 0 HB3 CYS A 129 3.817 6.472 -13.198 1.00 0.69 H new ATOM 0 HG CYS A 129 0.666 6.545 -12.066 1.00 1.22 H new ATOM 2015 N LYS A 130 0.213 5.947 -15.451 1.00 0.01 N ATOM 2016 CA LYS A 130 -1.248 5.595 -15.555 1.00 0.01 C ATOM 2017 C LYS A 130 -1.401 4.075 -15.652 1.00 0.01 C ATOM 2018 O LYS A 130 -1.231 3.472 -16.688 1.00 0.01 O ATOM 2019 CB LYS A 130 -1.880 6.282 -16.794 1.00 0.55 C ATOM 2020 CG LYS A 130 -0.792 6.707 -17.785 1.00 0.80 C ATOM 2021 CD LYS A 130 -1.432 7.020 -19.141 1.00 0.29 C ATOM 2022 CE LYS A 130 -0.349 7.420 -20.144 1.00 0.33 C ATOM 2023 NZ LYS A 130 -0.980 8.078 -21.322 1.00 1.41 N ATOM 0 H LYS A 130 0.812 5.541 -16.170 1.00 0.01 H new ATOM 0 HA LYS A 130 -1.767 5.950 -14.665 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -2.576 5.599 -17.280 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -2.455 7.153 -16.480 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -0.264 7.583 -17.409 1.00 0.80 H new ATOM 0 HG3 LYS A 130 -0.054 5.913 -17.894 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -1.976 6.149 -19.507 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -2.157 7.827 -19.034 1.00 0.29 H new ATOM 0 HE2 LYS A 130 0.364 8.098 -19.674 1.00 0.33 H new ATOM 0 HE3 LYS A 130 0.210 6.540 -20.462 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -0.243 8.350 -22.004 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -1.644 7.417 -21.774 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -1.494 8.927 -21.011 1.00 1.41 H new ATOM 2037 N VAL A 131 -1.761 3.476 -14.558 1.00 0.01 N ATOM 2038 CA VAL A 131 -1.976 2.005 -14.495 1.00 0.01 C ATOM 2039 C VAL A 131 -3.478 1.750 -14.550 1.00 0.01 C ATOM 2040 O VAL A 131 -4.237 2.444 -13.902 1.00 0.01 O ATOM 2041 CB VAL A 131 -1.410 1.462 -13.185 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -2.176 2.069 -12.008 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -1.558 -0.059 -13.160 1.00 0.01 C ATOM 0 H VAL A 131 -1.921 3.960 -13.674 1.00 0.01 H new ATOM 0 HA VAL A 131 -1.475 1.509 -15.326 1.00 0.01 H new ATOM 0 HB VAL A 131 -0.355 1.726 -13.106 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -1.772 1.682 -11.073 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -2.072 3.154 -12.027 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -3.231 1.805 -12.085 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -1.154 -0.449 -12.225 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -2.613 -0.323 -13.238 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -1.013 -0.491 -13.999 1.00 0.01 H new ATOM 2105 N TRP A 136 -2.278 -1.371 -7.135 1.00 0.01 N ATOM 2106 CA TRP A 136 -0.795 -1.328 -7.390 1.00 0.01 C ATOM 2107 C TRP A 136 -0.131 -0.645 -6.189 1.00 0.01 C ATOM 2108 O TRP A 136 -0.691 0.270 -5.620 1.00 0.00 O ATOM 2109 CB TRP A 136 -0.501 -0.547 -8.681 1.00 0.01 C ATOM 2110 CG TRP A 136 -0.644 -1.461 -9.858 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -1.820 -1.906 -10.348 1.00 0.01 C ATOM 2112 CD2 TRP A 136 0.399 -2.056 -10.683 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -1.569 -2.733 -11.429 1.00 0.00 N ATOM 2114 CE2 TRP A 136 -0.215 -2.857 -11.674 1.00 0.01 C ATOM 2115 CE3 TRP A 136 1.803 -1.976 -10.669 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 0.539 -3.556 -12.618 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 2.564 -2.680 -11.618 1.00 0.01 C ATOM 2118 CH2 TRP A 136 1.932 -3.467 -12.590 1.00 0.01 C ATOM 0 HA TRP A 136 -0.402 -2.337 -7.513 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -1.187 0.295 -8.774 1.00 0.01 H new ATOM 0 HB3 TRP A 136 0.507 -0.134 -8.648 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -2.797 -1.658 -9.960 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -2.295 -3.194 -11.978 1.00 0.00 H new ATOM 0 HE3 TRP A 136 2.299 -1.370 -9.925 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 0.048 -4.162 -13.365 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 3.642 -2.614 -11.598 1.00 0.01 H new ATOM 0 HH2 TRP A 136 2.522 -4.005 -13.317 1.00 0.01 H new ATOM 2129 N ILE A 137 1.059 -1.055 -5.791 1.00 0.01 N ATOM 2130 CA ILE A 137 1.734 -0.391 -4.623 1.00 0.00 C ATOM 2131 C ILE A 137 3.057 0.226 -5.071 1.00 0.01 C ATOM 2132 O ILE A 137 3.848 -0.395 -5.750 1.00 0.01 O ATOM 2133 CB ILE A 137 2.060 -1.422 -3.537 1.00 0.60 C ATOM 2134 CG1 ILE A 137 0.842 -2.282 -3.213 1.00 1.32 C ATOM 2135 CG2 ILE A 137 2.505 -0.693 -2.267 1.00 1.37 C ATOM 2136 CD1 ILE A 137 1.297 -3.467 -2.353 1.00 1.69 C ATOM 0 H ILE A 137 1.586 -1.814 -6.222 1.00 0.01 H new ATOM 0 HA ILE A 137 1.058 0.371 -4.235 1.00 0.00 H new ATOM 0 HB ILE A 137 2.856 -2.069 -3.906 1.00 0.60 H new ATOM 0 HG12 ILE A 137 0.094 -1.694 -2.682 1.00 1.32 H new ATOM 0 HG13 ILE A 137 0.375 -2.638 -4.131 1.00 1.32 H new ATOM 0 HG21 ILE A 137 2.738 -1.423 -1.491 1.00 1.37 H new ATOM 0 HG22 ILE A 137 3.391 -0.096 -2.482 1.00 1.37 H new ATOM 0 HG23 ILE A 137 1.703 -0.040 -1.922 1.00 1.37 H new ATOM 0 HD11 ILE A 137 0.438 -4.093 -2.112 1.00 1.69 H new ATOM 0 HD12 ILE A 137 2.031 -4.055 -2.903 1.00 1.69 H new ATOM 0 HD13 ILE A 137 1.746 -3.097 -1.431 1.00 1.69 H new ATOM 2148 N PHE A 138 3.308 1.435 -4.650 1.00 0.01 N ATOM 2149 CA PHE A 138 4.591 2.129 -4.983 1.00 0.01 C ATOM 2150 C PHE A 138 5.369 2.246 -3.665 1.00 0.01 C ATOM 2151 O PHE A 138 4.782 2.488 -2.633 1.00 0.00 O ATOM 2152 CB PHE A 138 4.275 3.532 -5.545 1.00 1.11 C ATOM 2153 CG PHE A 138 4.201 3.522 -7.064 1.00 1.11 C ATOM 2154 CD1 PHE A 138 3.759 2.388 -7.767 1.00 1.54 C ATOM 2155 CD2 PHE A 138 4.576 4.670 -7.771 1.00 1.46 C ATOM 2156 CE1 PHE A 138 3.700 2.411 -9.166 1.00 2.35 C ATOM 2157 CE2 PHE A 138 4.516 4.690 -9.169 1.00 2.01 C ATOM 2158 CZ PHE A 138 4.080 3.560 -9.866 1.00 2.49 C ATOM 0 H PHE A 138 2.667 1.984 -4.078 1.00 0.01 H new ATOM 0 HA PHE A 138 5.170 1.586 -5.730 1.00 0.01 H new ATOM 0 HB2 PHE A 138 3.328 3.884 -5.136 1.00 1.11 H new ATOM 0 HB3 PHE A 138 5.042 4.235 -5.222 1.00 1.11 H new ATOM 0 HD1 PHE A 138 3.465 1.499 -7.228 1.00 1.54 H new ATOM 0 HD2 PHE A 138 4.913 5.545 -7.235 1.00 1.46 H new ATOM 0 HE1 PHE A 138 3.360 1.539 -9.705 1.00 2.35 H new ATOM 0 HE2 PHE A 138 4.807 5.579 -9.709 1.00 2.01 H new ATOM 0 HZ PHE A 138 4.037 3.574 -10.945 1.00 2.49 H new ATOM 2168 N TYR A 139 6.675 2.079 -3.684 1.00 0.01 N ATOM 2169 CA TYR A 139 7.477 2.184 -2.416 1.00 0.01 C ATOM 2170 C TYR A 139 8.566 3.245 -2.576 1.00 0.01 C ATOM 2171 O TYR A 139 9.112 3.436 -3.650 1.00 0.01 O ATOM 2172 CB TYR A 139 8.126 0.835 -2.105 1.00 0.01 C ATOM 2173 CG TYR A 139 7.071 -0.247 -2.135 1.00 0.01 C ATOM 2174 CD1 TYR A 139 6.557 -0.681 -3.360 1.00 0.01 C ATOM 2175 CD2 TYR A 139 6.610 -0.818 -0.943 1.00 0.01 C ATOM 2176 CE1 TYR A 139 5.581 -1.685 -3.397 1.00 0.01 C ATOM 2177 CE2 TYR A 139 5.635 -1.823 -0.978 1.00 0.02 C ATOM 2178 CZ TYR A 139 5.119 -2.255 -2.205 1.00 0.02 C ATOM 2179 OH TYR A 139 4.157 -3.244 -2.238 1.00 0.00 O ATOM 0 H TYR A 139 7.220 1.875 -4.522 1.00 0.01 H new ATOM 0 HA TYR A 139 6.814 2.467 -1.598 1.00 0.01 H new ATOM 0 HB2 TYR A 139 8.907 0.618 -2.834 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.604 0.866 -1.126 1.00 0.01 H new ATOM 0 HD1 TYR A 139 6.913 -0.241 -4.280 1.00 0.01 H new ATOM 0 HD2 TYR A 139 7.006 -0.483 0.004 1.00 0.01 H new ATOM 0 HE1 TYR A 139 5.185 -2.019 -4.345 1.00 0.01 H new ATOM 0 HE2 TYR A 139 5.281 -2.265 -0.058 1.00 0.02 H new ATOM 0 HH TYR A 139 3.951 -3.530 -1.324 1.00 0.00 H new ATOM 2189 N GLU A 140 8.839 3.971 -1.520 1.00 0.01 N ATOM 2190 CA GLU A 140 9.835 5.080 -1.584 1.00 0.02 C ATOM 2191 C GLU A 140 11.271 4.550 -1.633 1.00 0.01 C ATOM 2192 O GLU A 140 12.130 5.184 -2.214 1.00 0.01 O ATOM 2193 CB GLU A 140 9.661 5.932 -0.326 1.00 0.01 C ATOM 2194 CG GLU A 140 10.507 7.202 -0.443 1.00 0.02 C ATOM 2195 CD GLU A 140 10.102 8.185 0.657 1.00 0.02 C ATOM 2196 OE1 GLU A 140 10.309 7.865 1.816 1.00 0.01 O ATOM 2197 OE2 GLU A 140 9.588 9.239 0.321 1.00 0.02 O ATOM 0 H GLU A 140 8.407 3.839 -0.605 1.00 0.01 H new ATOM 0 HA GLU A 140 9.665 5.659 -2.491 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.611 6.194 -0.194 1.00 0.01 H new ATOM 0 HB3 GLU A 140 9.961 5.364 0.554 1.00 0.01 H new ATOM 0 HG2 GLU A 140 11.565 6.957 -0.355 1.00 0.02 H new ATOM 0 HG3 GLU A 140 10.366 7.657 -1.423 1.00 0.02 H new ATOM 2204 N LEU A 141 11.562 3.417 -1.032 1.00 0.01 N ATOM 2205 CA LEU A 141 12.968 2.885 -1.054 1.00 0.02 C ATOM 2206 C LEU A 141 12.984 1.555 -1.833 1.00 0.01 C ATOM 2207 O LEU A 141 11.974 0.880 -1.921 1.00 0.01 O ATOM 2208 CB LEU A 141 13.415 2.642 0.403 1.00 0.57 C ATOM 2209 CG LEU A 141 13.960 3.948 1.021 1.00 0.81 C ATOM 2210 CD1 LEU A 141 13.869 3.873 2.548 1.00 1.48 C ATOM 2211 CD2 LEU A 141 15.427 4.160 0.621 1.00 1.24 C ATOM 0 H LEU A 141 10.889 2.839 -0.528 1.00 0.01 H new ATOM 0 HA LEU A 141 13.643 3.593 -1.536 1.00 0.02 H new ATOM 0 HB2 LEU A 141 12.574 2.276 0.992 1.00 0.57 H new ATOM 0 HB3 LEU A 141 14.184 1.870 0.431 1.00 0.57 H new ATOM 0 HG LEU A 141 13.362 4.781 0.651 1.00 0.81 H new ATOM 0 HD11 LEU A 141 14.254 4.796 2.981 1.00 1.48 H new ATOM 0 HD12 LEU A 141 12.829 3.740 2.844 1.00 1.48 H new ATOM 0 HD13 LEU A 141 14.459 3.030 2.907 1.00 1.48 H new ATOM 0 HD21 LEU A 141 15.795 5.085 1.065 1.00 1.24 H new ATOM 0 HD22 LEU A 141 16.026 3.322 0.978 1.00 1.24 H new ATOM 0 HD23 LEU A 141 15.503 4.224 -0.465 1.00 1.24 H new ATOM 2223 N PRO A 142 14.116 1.175 -2.399 1.00 0.01 N ATOM 2224 CA PRO A 142 14.199 -0.095 -3.176 1.00 0.01 C ATOM 2225 C PRO A 142 13.783 -1.323 -2.359 1.00 0.01 C ATOM 2226 O PRO A 142 13.676 -1.294 -1.148 1.00 0.01 O ATOM 2227 CB PRO A 142 15.692 -0.160 -3.570 1.00 0.01 C ATOM 2228 CG PRO A 142 16.431 0.987 -2.858 1.00 0.02 C ATOM 2229 CD PRO A 142 15.381 1.967 -2.315 1.00 0.01 C ATOM 0 HA PRO A 142 13.518 -0.104 -4.027 1.00 0.01 H new ATOM 0 HB2 PRO A 142 16.118 -1.121 -3.284 1.00 0.01 H new ATOM 0 HB3 PRO A 142 15.804 -0.070 -4.651 1.00 0.01 H new ATOM 0 HG2 PRO A 142 17.045 0.598 -2.045 1.00 0.02 H new ATOM 0 HG3 PRO A 142 17.103 1.494 -3.550 1.00 0.02 H new ATOM 0 HD2 PRO A 142 15.601 2.270 -1.291 1.00 0.01 H new ATOM 0 HD3 PRO A 142 15.329 2.877 -2.913 1.00 0.01 H new ATOM 2237 N ASN A 143 13.579 -2.406 -3.052 1.00 0.01 N ATOM 2238 CA ASN A 143 13.201 -3.686 -2.399 1.00 0.01 C ATOM 2239 C ASN A 143 11.891 -3.548 -1.622 1.00 0.01 C ATOM 2240 O ASN A 143 11.665 -4.216 -0.632 1.00 0.01 O ATOM 2241 CB ASN A 143 14.315 -4.109 -1.437 1.00 0.23 C ATOM 2242 CG ASN A 143 14.127 -5.577 -1.049 1.00 0.11 C ATOM 2243 OD1 ASN A 143 13.030 -6.094 -1.096 1.00 0.75 O ATOM 2244 ND2 ASN A 143 15.161 -6.274 -0.664 1.00 0.56 N ATOM 0 H ASN A 143 13.661 -2.458 -4.067 1.00 0.01 H new ATOM 0 HA ASN A 143 13.061 -4.438 -3.175 1.00 0.01 H new ATOM 0 HB2 ASN A 143 15.288 -3.968 -1.907 1.00 0.23 H new ATOM 0 HB3 ASN A 143 14.298 -3.482 -0.546 1.00 0.23 H new ATOM 0 HD21 ASN A 143 15.047 -7.253 -0.403 1.00 0.56 H new ATOM 0 HD22 ASN A 143 16.083 -5.839 -0.625 1.00 0.56 H new ATOM 2251 N TYR A 144 11.010 -2.709 -2.095 1.00 0.01 N ATOM 2252 CA TYR A 144 9.686 -2.538 -1.436 1.00 0.02 C ATOM 2253 C TYR A 144 9.838 -2.125 0.034 1.00 0.01 C ATOM 2254 O TYR A 144 9.265 -2.734 0.915 1.00 0.01 O ATOM 2255 CB TYR A 144 8.913 -3.863 -1.526 1.00 0.01 C ATOM 2256 CG TYR A 144 9.245 -4.543 -2.836 1.00 0.01 C ATOM 2257 CD1 TYR A 144 9.056 -3.860 -4.045 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.749 -5.852 -2.845 1.00 0.01 C ATOM 2259 CE1 TYR A 144 9.368 -4.483 -5.258 1.00 0.01 C ATOM 2260 CE2 TYR A 144 10.062 -6.474 -4.059 1.00 0.01 C ATOM 2261 CZ TYR A 144 9.872 -5.789 -5.266 1.00 0.01 C ATOM 2262 OH TYR A 144 10.179 -6.402 -6.463 1.00 0.01 O ATOM 0 H TYR A 144 11.154 -2.128 -2.921 1.00 0.01 H new ATOM 0 HA TYR A 144 9.142 -1.744 -1.948 1.00 0.02 H new ATOM 0 HB2 TYR A 144 9.177 -4.510 -0.689 1.00 0.01 H new ATOM 0 HB3 TYR A 144 7.841 -3.678 -1.460 1.00 0.01 H new ATOM 0 HD1 TYR A 144 8.669 -2.852 -4.040 1.00 0.01 H new ATOM 0 HD2 TYR A 144 9.896 -6.380 -1.914 1.00 0.01 H new ATOM 0 HE1 TYR A 144 9.220 -3.956 -6.189 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.450 -7.482 -4.065 1.00 0.01 H new ATOM 0 HH TYR A 144 10.518 -7.305 -6.290 1.00 0.01 H new ATOM 2272 N ARG A 145 10.603 -1.091 0.301 1.00 0.02 N ATOM 2273 CA ARG A 145 10.792 -0.627 1.719 1.00 0.01 C ATOM 2274 C ARG A 145 10.467 0.865 1.831 1.00 0.01 C ATOM 2275 O ARG A 145 10.366 1.563 0.842 1.00 0.01 O ATOM 2276 CB ARG A 145 12.249 -0.847 2.139 1.00 0.01 C ATOM 2277 CG ARG A 145 12.594 -2.346 2.109 1.00 0.02 C ATOM 2278 CD ARG A 145 12.104 -3.039 3.390 1.00 0.01 C ATOM 2279 NE ARG A 145 12.602 -2.307 4.590 1.00 0.01 N ATOM 2280 CZ ARG A 145 12.057 -2.520 5.756 1.00 0.01 C ATOM 2281 NH1 ARG A 145 11.069 -3.365 5.871 1.00 0.02 N ATOM 2282 NH2 ARG A 145 12.499 -1.885 6.806 1.00 0.01 N ATOM 0 H ARG A 145 11.106 -0.547 -0.400 1.00 0.02 H new ATOM 0 HA ARG A 145 10.125 -1.195 2.367 1.00 0.01 H new ATOM 0 HB2 ARG A 145 12.914 -0.301 1.470 1.00 0.01 H new ATOM 0 HB3 ARG A 145 12.409 -0.450 3.141 1.00 0.01 H new ATOM 0 HG2 ARG A 145 12.135 -2.813 1.238 1.00 0.02 H new ATOM 0 HG3 ARG A 145 13.672 -2.475 2.009 1.00 0.02 H new ATOM 0 HD2 ARG A 145 11.015 -3.073 3.401 1.00 0.01 H new ATOM 0 HD3 ARG A 145 12.455 -4.071 3.412 1.00 0.01 H new ATOM 0 HE ARG A 145 13.368 -1.640 4.499 1.00 0.01 H new ATOM 0 HH11 ARG A 145 10.722 -3.859 5.049 1.00 0.02 H new ATOM 0 HH12 ARG A 145 10.643 -3.531 6.783 1.00 0.02 H new ATOM 0 HH21 ARG A 145 13.270 -1.223 6.715 1.00 0.01 H new ATOM 0 HH22 ARG A 145 12.074 -2.050 7.718 1.00 0.01 H new ATOM 2296 N GLY A 146 10.295 1.358 3.035 1.00 0.01 N ATOM 2297 CA GLY A 146 9.976 2.806 3.225 1.00 0.02 C ATOM 2298 C GLY A 146 8.462 3.028 3.168 1.00 0.01 C ATOM 2299 O GLY A 146 7.681 2.103 3.255 1.00 0.02 O ATOM 0 H GLY A 146 10.363 0.816 3.896 1.00 0.01 H new ATOM 0 HA2 GLY A 146 10.365 3.148 4.184 1.00 0.02 H new ATOM 0 HA3 GLY A 146 10.467 3.398 2.452 1.00 0.02 H new ATOM 2303 N ARG A 147 8.051 4.259 3.021 1.00 0.01 N ATOM 2304 CA ARG A 147 6.593 4.564 2.955 1.00 0.01 C ATOM 2305 C ARG A 147 6.035 4.020 1.644 1.00 0.01 C ATOM 2306 O ARG A 147 6.686 4.041 0.616 1.00 0.01 O ATOM 2307 CB ARG A 147 6.391 6.080 3.008 1.00 0.01 C ATOM 2308 CG ARG A 147 4.894 6.391 3.027 1.00 0.01 C ATOM 2309 CD ARG A 147 4.683 7.900 3.178 1.00 0.01 C ATOM 2310 NE ARG A 147 3.263 8.237 2.870 1.00 0.02 N ATOM 2311 CZ ARG A 147 2.775 9.393 3.229 1.00 0.02 C ATOM 2312 NH1 ARG A 147 3.530 10.251 3.859 1.00 0.01 N ATOM 2313 NH2 ARG A 147 1.532 9.690 2.960 1.00 0.02 N ATOM 0 H ARG A 147 8.665 5.070 2.944 1.00 0.01 H new ATOM 0 HA ARG A 147 6.076 4.102 3.796 1.00 0.01 H new ATOM 0 HB2 ARG A 147 6.871 6.491 3.896 1.00 0.01 H new ATOM 0 HB3 ARG A 147 6.861 6.551 2.145 1.00 0.01 H new ATOM 0 HG2 ARG A 147 4.428 6.039 2.107 1.00 0.01 H new ATOM 0 HG3 ARG A 147 4.413 5.863 3.850 1.00 0.01 H new ATOM 0 HD2 ARG A 147 4.930 8.213 4.192 1.00 0.01 H new ATOM 0 HD3 ARG A 147 5.350 8.440 2.506 1.00 0.01 H new ATOM 0 HE ARG A 147 2.674 7.564 2.379 1.00 0.02 H new ATOM 0 HH11 ARG A 147 4.500 10.018 4.070 1.00 0.01 H new ATOM 0 HH12 ARG A 147 3.150 11.155 4.140 1.00 0.01 H new ATOM 0 HH21 ARG A 147 0.942 9.018 2.469 1.00 0.02 H new ATOM 0 HH22 ARG A 147 1.151 10.594 3.241 1.00 0.02 H new ATOM 2327 N GLN A 148 4.837 3.489 1.692 1.00 0.01 N ATOM 2328 CA GLN A 148 4.211 2.883 0.478 1.00 0.01 C ATOM 2329 C GLN A 148 2.985 3.697 0.056 1.00 0.01 C ATOM 2330 O GLN A 148 2.295 4.268 0.877 1.00 0.01 O ATOM 2331 CB GLN A 148 3.769 1.461 0.848 1.00 0.00 C ATOM 2332 CG GLN A 148 4.818 0.825 1.763 1.00 0.02 C ATOM 2333 CD GLN A 148 4.556 -0.678 1.877 1.00 0.02 C ATOM 2334 OE1 GLN A 148 3.483 -1.146 1.550 1.00 0.02 O ATOM 2335 NE2 GLN A 148 5.497 -1.460 2.329 1.00 0.01 N ATOM 0 H GLN A 148 4.260 3.450 2.532 1.00 0.01 H new ATOM 0 HA GLN A 148 4.922 2.872 -0.348 1.00 0.01 H new ATOM 0 HB2 GLN A 148 2.801 1.488 1.349 1.00 0.00 H new ATOM 0 HB3 GLN A 148 3.645 0.861 -0.053 1.00 0.00 H new ATOM 0 HG2 GLN A 148 5.817 1.001 1.365 1.00 0.02 H new ATOM 0 HG3 GLN A 148 4.782 1.287 2.750 1.00 0.02 H new ATOM 0 HE21 GLN A 148 6.398 -1.068 2.604 1.00 0.01 H new ATOM 0 HE22 GLN A 148 5.332 -2.463 2.408 1.00 0.01 H new ATOM 2344 N TYR A 149 2.710 3.735 -1.222 1.00 0.01 N ATOM 2345 CA TYR A 149 1.521 4.484 -1.736 1.00 0.01 C ATOM 2346 C TYR A 149 0.645 3.523 -2.541 1.00 0.01 C ATOM 2347 O TYR A 149 1.139 2.756 -3.343 1.00 0.01 O ATOM 2348 CB TYR A 149 1.986 5.640 -2.627 1.00 0.01 C ATOM 2349 CG TYR A 149 3.133 6.362 -1.962 1.00 0.01 C ATOM 2350 CD1 TYR A 149 2.878 7.311 -0.965 1.00 0.01 C ATOM 2351 CD2 TYR A 149 4.451 6.086 -2.345 1.00 0.01 C ATOM 2352 CE1 TYR A 149 3.941 7.983 -0.349 1.00 0.01 C ATOM 2353 CE2 TYR A 149 5.513 6.759 -1.730 1.00 0.01 C ATOM 2354 CZ TYR A 149 5.258 7.706 -0.732 1.00 0.01 C ATOM 2355 OH TYR A 149 6.306 8.370 -0.126 1.00 0.01 O ATOM 0 H TYR A 149 3.266 3.273 -1.942 1.00 0.01 H new ATOM 0 HA TYR A 149 0.948 4.892 -0.903 1.00 0.01 H new ATOM 0 HB2 TYR A 149 2.297 5.260 -3.600 1.00 0.01 H new ATOM 0 HB3 TYR A 149 1.162 6.331 -2.804 1.00 0.01 H new ATOM 0 HD1 TYR A 149 1.861 7.525 -0.671 1.00 0.01 H new ATOM 0 HD2 TYR A 149 4.648 5.354 -3.114 1.00 0.01 H new ATOM 0 HE1 TYR A 149 3.744 8.714 0.421 1.00 0.01 H new ATOM 0 HE2 TYR A 149 6.530 6.547 -2.026 1.00 0.01 H new ATOM 0 HH TYR A 149 7.154 8.060 -0.507 1.00 0.01 H new ATOM 2365 N LEU A 150 -0.645 3.530 -2.326 1.00 0.01 N ATOM 2366 CA LEU A 150 -1.531 2.584 -3.073 1.00 0.01 C ATOM 2367 C LEU A 150 -2.107 3.288 -4.301 1.00 0.01 C ATOM 2368 O LEU A 150 -2.784 4.292 -4.199 1.00 0.01 O ATOM 2369 CB LEU A 150 -2.667 2.144 -2.140 1.00 0.01 C ATOM 2370 CG LEU A 150 -3.484 1.005 -2.788 1.00 0.01 C ATOM 2371 CD1 LEU A 150 -2.829 -0.349 -2.493 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -4.907 1.002 -2.218 1.00 0.01 C ATOM 0 H LEU A 150 -1.123 4.146 -1.669 1.00 0.01 H new ATOM 0 HA LEU A 150 -0.964 1.713 -3.401 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -2.255 1.809 -1.188 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -3.319 2.991 -1.925 1.00 0.01 H new ATOM 0 HG LEU A 150 -3.515 1.167 -3.865 1.00 0.01 H new ATOM 0 HD11 LEU A 150 -3.414 -1.144 -2.955 1.00 0.01 H new ATOM 0 HD12 LEU A 150 -1.817 -0.360 -2.899 1.00 0.01 H new ATOM 0 HD13 LEU A 150 -2.789 -0.507 -1.415 1.00 0.01 H new ATOM 0 HD21 LEU A 150 -5.481 0.197 -2.677 1.00 0.01 H new ATOM 0 HD22 LEU A 150 -4.867 0.849 -1.139 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -5.386 1.957 -2.432 1.00 0.01 H new ATOM 2384 N LEU A 151 -1.847 2.754 -5.467 1.00 0.01 N ATOM 2385 CA LEU A 151 -2.377 3.362 -6.722 1.00 0.01 C ATOM 2386 C LEU A 151 -3.633 2.595 -7.149 1.00 0.01 C ATOM 2387 O LEU A 151 -3.731 1.395 -6.961 1.00 0.01 O ATOM 2388 CB LEU A 151 -1.309 3.265 -7.823 1.00 0.01 C ATOM 2389 CG LEU A 151 -0.297 4.406 -7.671 1.00 0.01 C ATOM 2390 CD1 LEU A 151 0.381 4.321 -6.300 1.00 0.01 C ATOM 2391 CD2 LEU A 151 0.762 4.291 -8.772 1.00 0.01 C ATOM 0 H LEU A 151 -1.284 1.914 -5.603 1.00 0.01 H new ATOM 0 HA LEU A 151 -2.626 4.410 -6.556 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -0.798 2.304 -7.762 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -1.781 3.314 -8.804 1.00 0.01 H new ATOM 0 HG LEU A 151 -0.814 5.362 -7.755 1.00 0.01 H new ATOM 0 HD11 LEU A 151 1.099 5.135 -6.198 1.00 0.01 H new ATOM 0 HD12 LEU A 151 -0.372 4.401 -5.516 1.00 0.01 H new ATOM 0 HD13 LEU A 151 0.899 3.366 -6.209 1.00 0.01 H new ATOM 0 HD21 LEU A 151 1.484 5.101 -8.668 1.00 0.01 H new ATOM 0 HD22 LEU A 151 1.275 3.333 -8.685 1.00 0.01 H new ATOM 0 HD23 LEU A 151 0.281 4.357 -9.748 1.00 0.01 H new ATOM 2403 N ASP A 152 -4.593 3.280 -7.722 1.00 0.01 N ATOM 2404 CA ASP A 152 -5.856 2.608 -8.167 1.00 0.01 C ATOM 2405 C ASP A 152 -5.908 2.571 -9.698 1.00 0.00 C ATOM 2406 O ASP A 152 -5.004 3.029 -10.370 1.00 0.01 O ATOM 2407 CB ASP A 152 -7.056 3.398 -7.640 1.00 1.04 C ATOM 2408 CG ASP A 152 -7.098 3.302 -6.112 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -7.663 2.343 -5.613 1.00 2.27 O ATOM 2410 OD2 ASP A 152 -6.562 4.189 -5.468 1.00 1.57 O ATOM 0 H ASP A 152 -4.556 4.283 -7.902 1.00 0.01 H new ATOM 0 HA ASP A 152 -5.883 1.590 -7.780 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -6.982 4.441 -7.948 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -7.979 3.005 -8.065 1.00 1.04 H new ATOM 2415 N LYS A 153 -6.958 2.027 -10.253 1.00 0.01 N ATOM 2416 CA LYS A 153 -7.072 1.959 -11.739 1.00 0.01 C ATOM 2417 C LYS A 153 -7.332 3.360 -12.295 1.00 0.01 C ATOM 2418 O LYS A 153 -8.099 3.535 -13.221 1.00 0.01 O ATOM 2419 CB LYS A 153 -8.233 1.038 -12.123 1.00 0.38 C ATOM 2420 CG LYS A 153 -9.474 1.412 -11.308 1.00 0.71 C ATOM 2421 CD LYS A 153 -10.682 0.625 -11.820 1.00 0.72 C ATOM 2422 CE LYS A 153 -11.961 1.191 -11.199 1.00 1.09 C ATOM 2423 NZ LYS A 153 -13.080 0.228 -11.399 1.00 1.84 N ATOM 0 H LYS A 153 -7.743 1.626 -9.740 1.00 0.01 H new ATOM 0 HA LYS A 153 -6.144 1.567 -12.155 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -8.444 1.127 -13.189 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -7.963 -0.002 -11.937 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -9.307 1.195 -10.253 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -9.664 2.482 -11.388 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -10.735 0.686 -12.907 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -10.577 -0.430 -11.565 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -11.811 1.374 -10.135 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -12.206 2.150 -11.656 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -13.949 0.613 -10.977 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -13.228 0.074 -12.417 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -12.845 -0.677 -10.943 1.00 1.84 H new ATOM 2437 N LYS A 154 -6.695 4.359 -11.735 1.00 0.00 N ATOM 2438 CA LYS A 154 -6.891 5.765 -12.217 1.00 0.01 C ATOM 2439 C LYS A 154 -5.600 6.257 -12.871 1.00 0.01 C ATOM 2440 O LYS A 154 -4.601 5.564 -12.891 1.00 0.00 O ATOM 2441 CB LYS A 154 -7.224 6.664 -11.024 1.00 0.39 C ATOM 2442 CG LYS A 154 -8.597 6.288 -10.467 1.00 0.48 C ATOM 2443 CD LYS A 154 -8.781 6.923 -9.087 1.00 0.97 C ATOM 2444 CE LYS A 154 -10.120 6.481 -8.494 1.00 1.44 C ATOM 2445 NZ LYS A 154 -11.231 7.197 -9.185 1.00 2.28 N ATOM 0 H LYS A 154 -6.042 4.261 -10.958 1.00 0.00 H new ATOM 0 HA LYS A 154 -7.706 5.796 -12.941 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -6.464 6.555 -10.250 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -7.219 7.710 -11.331 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -9.381 6.629 -11.143 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -8.687 5.204 -10.395 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -7.965 6.628 -8.428 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -8.748 8.009 -9.168 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -10.242 5.404 -8.607 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -10.145 6.694 -7.425 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -12.127 7.002 -8.695 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -11.045 8.220 -9.172 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -11.296 6.869 -10.170 1.00 2.28 H new ATOM 2459 N GLU A 155 -5.613 7.454 -13.401 1.00 0.01 N ATOM 2460 CA GLU A 155 -4.391 8.015 -14.055 1.00 0.01 C ATOM 2461 C GLU A 155 -3.781 9.078 -13.142 1.00 0.01 C ATOM 2462 O GLU A 155 -4.427 10.040 -12.779 1.00 0.01 O ATOM 2463 CB GLU A 155 -4.783 8.660 -15.387 1.00 0.01 C ATOM 2464 CG GLU A 155 -5.386 7.600 -16.309 1.00 0.01 C ATOM 2465 CD GLU A 155 -6.776 7.213 -15.802 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -7.467 8.085 -15.302 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -7.127 6.050 -15.921 1.00 0.01 O ATOM 0 H GLU A 155 -6.425 8.072 -13.409 1.00 0.01 H new ATOM 0 HA GLU A 155 -3.668 7.219 -14.232 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -5.502 9.461 -15.217 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -3.908 9.111 -15.856 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -5.453 7.984 -17.327 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -4.741 6.722 -16.341 1.00 0.01 H new ATOM 2474 N TYR A 156 -2.542 8.908 -12.762 1.00 0.00 N ATOM 2475 CA TYR A 156 -1.886 9.906 -11.864 1.00 0.01 C ATOM 2476 C TYR A 156 -1.051 10.870 -12.707 1.00 0.01 C ATOM 2477 O TYR A 156 -0.101 10.473 -13.354 1.00 0.01 O ATOM 2478 CB TYR A 156 -0.989 9.168 -10.867 1.00 0.01 C ATOM 2479 CG TYR A 156 -1.839 8.287 -9.982 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -2.198 7.003 -10.408 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -2.271 8.756 -8.736 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -2.989 6.189 -9.588 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -3.062 7.942 -7.917 1.00 0.01 C ATOM 2484 CZ TYR A 156 -3.421 6.659 -8.343 1.00 0.01 C ATOM 2485 OH TYR A 156 -4.203 5.859 -7.536 1.00 0.01 O ATOM 0 H TYR A 156 -1.954 8.120 -13.035 1.00 0.00 H new ATOM 0 HA TYR A 156 -2.641 10.472 -11.318 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -0.254 8.565 -11.400 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -0.435 9.884 -10.261 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -1.865 6.640 -11.369 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -1.994 9.746 -8.406 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -3.266 5.198 -9.917 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -3.395 8.305 -6.956 1.00 0.01 H new ATOM 0 HH TYR A 156 -4.414 6.337 -6.707 1.00 0.01 H new ATOM 2495 N ARG A 157 -1.430 12.123 -12.753 1.00 0.01 N ATOM 2496 CA ARG A 157 -0.690 13.101 -13.607 1.00 0.01 C ATOM 2497 C ARG A 157 0.409 13.808 -12.815 1.00 0.00 C ATOM 2498 O ARG A 157 1.406 14.212 -13.380 1.00 0.01 O ATOM 2499 CB ARG A 157 -1.673 14.149 -14.137 1.00 0.01 C ATOM 2500 CG ARG A 157 -2.446 14.762 -12.967 1.00 0.01 C ATOM 2501 CD ARG A 157 -3.332 15.899 -13.480 1.00 0.00 C ATOM 2502 NE ARG A 157 -2.501 16.865 -14.254 1.00 0.01 N ATOM 2503 CZ ARG A 157 -3.074 17.753 -15.020 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -4.375 17.801 -15.104 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -2.346 18.595 -15.701 1.00 0.01 N ATOM 0 H ARG A 157 -2.220 12.510 -12.236 1.00 0.01 H new ATOM 0 HA ARG A 157 -0.228 12.556 -14.430 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -1.135 14.927 -14.678 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -2.365 13.690 -14.843 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -3.057 14.001 -12.483 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -1.752 15.138 -12.216 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -4.126 15.499 -14.110 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -3.813 16.405 -12.643 1.00 0.00 H new ATOM 0 HE ARG A 157 -1.484 16.832 -14.185 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -4.945 17.144 -14.571 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -4.822 18.495 -15.703 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -1.329 18.559 -15.635 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -2.794 19.289 -16.300 1.00 0.01 H new ATOM 2519 N LYS A 158 0.263 13.950 -11.519 1.00 0.01 N ATOM 2520 CA LYS A 158 1.324 14.617 -10.698 1.00 0.01 C ATOM 2521 C LYS A 158 1.733 13.645 -9.579 1.00 0.01 C ATOM 2522 O LYS A 158 0.958 12.795 -9.196 1.00 0.01 O ATOM 2523 CB LYS A 158 0.750 15.916 -10.094 1.00 0.58 C ATOM 2524 CG LYS A 158 0.996 17.093 -11.047 1.00 0.97 C ATOM 2525 CD LYS A 158 0.501 18.391 -10.400 1.00 1.44 C ATOM 2526 CE LYS A 158 1.069 19.590 -11.161 1.00 2.13 C ATOM 2527 NZ LYS A 158 0.687 19.490 -12.598 1.00 2.54 N ATOM 0 H LYS A 158 -0.550 13.631 -10.992 1.00 0.01 H new ATOM 0 HA LYS A 158 2.192 14.868 -11.307 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -0.319 15.801 -9.913 1.00 0.58 H new ATOM 0 HB3 LYS A 158 1.217 16.115 -9.129 1.00 0.58 H new ATOM 0 HG2 LYS A 158 2.059 17.172 -11.277 1.00 0.97 H new ATOM 0 HG3 LYS A 158 0.477 16.924 -11.991 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -0.588 18.423 -10.411 1.00 1.44 H new ATOM 0 HD3 LYS A 158 0.810 18.430 -9.356 1.00 1.44 H new ATOM 0 HE2 LYS A 158 0.688 20.518 -10.736 1.00 2.13 H new ATOM 0 HE3 LYS A 158 2.154 19.616 -11.063 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 0.796 20.420 -13.052 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 1.302 18.799 -13.073 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 -0.303 19.182 -12.673 1.00 2.54 H new ATOM 2541 N PRO A 159 2.922 13.758 -9.041 1.00 0.01 N ATOM 2542 CA PRO A 159 3.342 12.841 -7.945 1.00 0.02 C ATOM 2543 C PRO A 159 2.431 12.991 -6.719 1.00 0.01 C ATOM 2544 O PRO A 159 2.076 12.022 -6.084 1.00 0.01 O ATOM 2545 CB PRO A 159 4.785 13.304 -7.666 1.00 0.41 C ATOM 2546 CG PRO A 159 4.998 14.649 -8.384 1.00 0.70 C ATOM 2547 CD PRO A 159 3.916 14.784 -9.464 1.00 0.28 C ATOM 0 HA PRO A 159 3.278 11.783 -8.200 1.00 0.02 H new ATOM 0 HB2 PRO A 159 4.950 13.413 -6.594 1.00 0.41 H new ATOM 0 HB3 PRO A 159 5.499 12.563 -8.024 1.00 0.41 H new ATOM 0 HG2 PRO A 159 4.934 15.474 -7.675 1.00 0.70 H new ATOM 0 HG3 PRO A 159 5.991 14.689 -8.832 1.00 0.70 H new ATOM 0 HD2 PRO A 159 3.485 15.785 -9.486 1.00 0.28 H new ATOM 0 HD3 PRO A 159 4.308 14.584 -10.461 1.00 0.28 H new ATOM 2555 N VAL A 160 2.061 14.184 -6.372 1.00 0.01 N ATOM 2556 CA VAL A 160 1.187 14.365 -5.180 1.00 0.02 C ATOM 2557 C VAL A 160 -0.131 13.612 -5.393 1.00 0.02 C ATOM 2558 O VAL A 160 -0.858 13.343 -4.458 1.00 0.02 O ATOM 2559 CB VAL A 160 0.903 15.856 -4.984 1.00 0.14 C ATOM 2560 CG1 VAL A 160 0.042 16.052 -3.736 1.00 0.86 C ATOM 2561 CG2 VAL A 160 2.226 16.607 -4.813 1.00 0.74 C ATOM 0 H VAL A 160 2.322 15.042 -6.857 1.00 0.01 H new ATOM 0 HA VAL A 160 1.687 13.971 -4.295 1.00 0.02 H new ATOM 0 HB VAL A 160 0.373 16.243 -5.855 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -0.160 17.114 -3.597 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -0.900 15.516 -3.856 1.00 0.86 H new ATOM 0 HG13 VAL A 160 0.571 15.666 -2.865 1.00 0.86 H new ATOM 0 HG21 VAL A 160 2.026 17.669 -4.673 1.00 0.74 H new ATOM 0 HG22 VAL A 160 2.754 16.220 -3.942 1.00 0.74 H new ATOM 0 HG23 VAL A 160 2.841 16.468 -5.702 1.00 0.74 H new ATOM 2571 N ASP A 161 -0.460 13.285 -6.612 1.00 0.00 N ATOM 2572 CA ASP A 161 -1.746 12.574 -6.855 1.00 0.01 C ATOM 2573 C ASP A 161 -1.750 11.166 -6.233 1.00 0.01 C ATOM 2574 O ASP A 161 -2.806 10.601 -6.023 1.00 0.01 O ATOM 2575 CB ASP A 161 -1.983 12.451 -8.361 1.00 0.00 C ATOM 2576 CG ASP A 161 -2.052 13.848 -8.983 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -1.679 14.793 -8.309 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -2.477 13.948 -10.123 1.00 0.00 O ATOM 0 H ASP A 161 0.100 13.477 -7.443 1.00 0.00 H new ATOM 0 HA ASP A 161 -2.539 13.156 -6.386 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -1.179 11.876 -8.821 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -2.910 11.911 -8.551 1.00 0.00 H new ATOM 2583 N TRP A 162 -0.601 10.595 -5.904 1.00 0.01 N ATOM 2584 CA TRP A 162 -0.608 9.226 -5.262 1.00 0.01 C ATOM 2585 C TRP A 162 -0.388 9.351 -3.747 1.00 0.01 C ATOM 2586 O TRP A 162 -0.138 8.376 -3.066 1.00 0.01 O ATOM 2587 CB TRP A 162 0.426 8.265 -5.882 1.00 0.01 C ATOM 2588 CG TRP A 162 1.756 8.908 -6.105 1.00 0.02 C ATOM 2589 CD1 TRP A 162 2.452 9.621 -5.195 1.00 0.01 C ATOM 2590 CD2 TRP A 162 2.584 8.855 -7.303 1.00 0.01 C ATOM 2591 NE1 TRP A 162 3.649 10.024 -5.766 1.00 0.01 N ATOM 2592 CE2 TRP A 162 3.774 9.573 -7.062 1.00 0.01 C ATOM 2593 CE3 TRP A 162 2.413 8.260 -8.566 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 4.763 9.701 -8.038 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 3.405 8.385 -9.551 1.00 0.01 C ATOM 2596 CH2 TRP A 162 4.579 9.104 -9.285 1.00 0.01 C ATOM 0 H TRP A 162 0.321 11.007 -6.048 1.00 0.01 H new ATOM 0 HA TRP A 162 -1.589 8.791 -5.453 1.00 0.01 H new ATOM 0 HB2 TRP A 162 0.550 7.402 -5.228 1.00 0.01 H new ATOM 0 HB3 TRP A 162 0.044 7.892 -6.832 1.00 0.01 H new ATOM 0 HD1 TRP A 162 2.130 9.841 -4.188 1.00 0.01 H new ATOM 0 HE1 TRP A 162 4.352 10.586 -5.285 1.00 0.01 H new ATOM 0 HE3 TRP A 162 1.512 7.703 -8.779 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 5.664 10.258 -7.829 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 3.263 7.925 -10.518 1.00 0.01 H new ATOM 0 HH2 TRP A 162 5.340 9.195 -10.045 1.00 0.01 H new ATOM 2607 N GLY A 163 -0.541 10.533 -3.205 1.00 0.02 N ATOM 2608 CA GLY A 163 -0.415 10.713 -1.722 1.00 0.01 C ATOM 2609 C GLY A 163 1.035 10.935 -1.267 1.00 0.01 C ATOM 2610 O GLY A 163 1.322 10.892 -0.087 1.00 0.01 O ATOM 0 H GLY A 163 -0.748 11.385 -3.726 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -1.022 11.564 -1.412 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -0.818 9.834 -1.219 1.00 0.01 H new ATOM 2614 N ALA A 164 1.949 11.162 -2.172 1.00 0.01 N ATOM 2615 CA ALA A 164 3.378 11.373 -1.759 1.00 0.02 C ATOM 2616 C ALA A 164 3.710 12.866 -1.768 1.00 0.01 C ATOM 2617 O ALA A 164 3.297 13.606 -2.636 1.00 0.02 O ATOM 2618 CB ALA A 164 4.299 10.688 -2.765 1.00 0.01 C ATOM 0 H ALA A 164 1.775 11.211 -3.176 1.00 0.01 H new ATOM 0 HA ALA A 164 3.517 10.961 -0.759 1.00 0.02 H new ATOM 0 HB1 ALA A 164 5.337 10.839 -2.469 1.00 0.01 H new ATOM 0 HB2 ALA A 164 4.080 9.620 -2.790 1.00 0.01 H new ATOM 0 HB3 ALA A 164 4.138 11.115 -3.755 1.00 0.01 H new ATOM 2624 N ALA A 165 4.464 13.303 -0.797 1.00 0.02 N ATOM 2625 CA ALA A 165 4.850 14.742 -0.723 1.00 0.01 C ATOM 2626 C ALA A 165 6.089 14.989 -1.587 1.00 0.02 C ATOM 2627 O ALA A 165 6.509 16.116 -1.768 1.00 0.01 O ATOM 2628 CB ALA A 165 5.170 15.120 0.724 1.00 0.59 C ATOM 0 H ALA A 165 4.833 12.720 -0.045 1.00 0.02 H new ATOM 0 HA ALA A 165 4.020 15.349 -1.085 1.00 0.01 H new ATOM 0 HB1 ALA A 165 5.451 16.172 0.772 1.00 0.59 H new ATOM 0 HB2 ALA A 165 4.292 14.951 1.347 1.00 0.59 H new ATOM 0 HB3 ALA A 165 5.995 14.507 1.086 1.00 0.59 H new ATOM 2634 N SER A 166 6.682 13.948 -2.121 1.00 0.01 N ATOM 2635 CA SER A 166 7.903 14.121 -2.975 1.00 0.01 C ATOM 2636 C SER A 166 7.830 13.164 -4.182 1.00 0.02 C ATOM 2637 O SER A 166 7.256 12.098 -4.080 1.00 0.01 O ATOM 2638 CB SER A 166 9.141 13.783 -2.142 1.00 0.72 C ATOM 2639 OG SER A 166 9.330 12.374 -2.132 1.00 0.87 O ATOM 0 H SER A 166 6.373 12.983 -2.003 1.00 0.01 H new ATOM 0 HA SER A 166 7.959 15.150 -3.331 1.00 0.01 H new ATOM 0 HB2 SER A 166 10.019 14.276 -2.558 1.00 0.72 H new ATOM 0 HB3 SER A 166 9.020 14.153 -1.124 1.00 0.72 H new ATOM 0 HG SER A 166 10.123 12.154 -1.600 1.00 0.87 H new ATOM 2645 N PRO A 167 8.415 13.511 -5.319 1.00 0.02 N ATOM 2646 CA PRO A 167 8.383 12.601 -6.503 1.00 0.01 C ATOM 2647 C PRO A 167 9.328 11.407 -6.330 1.00 0.01 C ATOM 2648 O PRO A 167 9.648 10.715 -7.283 1.00 0.01 O ATOM 2649 CB PRO A 167 8.886 13.522 -7.626 1.00 0.38 C ATOM 2650 CG PRO A 167 9.654 14.674 -6.962 1.00 0.35 C ATOM 2651 CD PRO A 167 9.136 14.808 -5.521 1.00 0.22 C ATOM 0 HA PRO A 167 7.400 12.164 -6.681 1.00 0.01 H new ATOM 0 HB2 PRO A 167 9.532 12.974 -8.312 1.00 0.38 H new ATOM 0 HB3 PRO A 167 8.051 13.905 -8.212 1.00 0.38 H new ATOM 0 HG2 PRO A 167 10.725 14.473 -6.967 1.00 0.35 H new ATOM 0 HG3 PRO A 167 9.502 15.603 -7.512 1.00 0.35 H new ATOM 0 HD2 PRO A 167 9.949 14.937 -4.807 1.00 0.22 H new ATOM 0 HD3 PRO A 167 8.472 15.665 -5.406 1.00 0.22 H new ATOM 2659 N ALA A 168 9.805 11.173 -5.138 1.00 0.01 N ATOM 2660 CA ALA A 168 10.756 10.044 -4.946 1.00 0.01 C ATOM 2661 C ALA A 168 10.003 8.724 -4.804 1.00 0.01 C ATOM 2662 O ALA A 168 9.218 8.519 -3.902 1.00 0.02 O ATOM 2663 CB ALA A 168 11.580 10.288 -3.681 1.00 0.18 C ATOM 0 H ALA A 168 9.581 11.708 -4.299 1.00 0.01 H new ATOM 0 HA ALA A 168 11.409 9.986 -5.817 1.00 0.01 H new ATOM 0 HB1 ALA A 168 12.278 9.463 -3.537 1.00 0.18 H new ATOM 0 HB2 ALA A 168 12.136 11.220 -3.783 1.00 0.18 H new ATOM 0 HB3 ALA A 168 10.914 10.355 -2.820 1.00 0.18 H new ATOM 2669 N ILE A 169 10.293 7.831 -5.706 1.00 0.01 N ATOM 2670 CA ILE A 169 9.680 6.474 -5.717 1.00 0.01 C ATOM 2671 C ILE A 169 10.732 5.553 -6.340 1.00 0.01 C ATOM 2672 O ILE A 169 11.222 5.815 -7.420 1.00 0.01 O ATOM 2673 CB ILE A 169 8.378 6.526 -6.561 1.00 1.81 C ATOM 2674 CG1 ILE A 169 7.148 6.817 -5.651 1.00 2.75 C ATOM 2675 CG2 ILE A 169 8.163 5.199 -7.304 1.00 2.24 C ATOM 2676 CD1 ILE A 169 6.132 7.708 -6.383 1.00 3.99 C ATOM 0 H ILE A 169 10.955 7.993 -6.465 1.00 0.01 H new ATOM 0 HA ILE A 169 9.406 6.113 -4.725 1.00 0.01 H new ATOM 0 HB ILE A 169 8.481 7.330 -7.290 1.00 1.81 H new ATOM 0 HG12 ILE A 169 6.674 5.879 -5.360 1.00 2.75 H new ATOM 0 HG13 ILE A 169 7.475 7.307 -4.734 1.00 2.75 H new ATOM 0 HG21 ILE A 169 7.246 5.255 -7.890 1.00 2.24 H new ATOM 0 HG22 ILE A 169 9.007 5.013 -7.968 1.00 2.24 H new ATOM 0 HG23 ILE A 169 8.083 4.386 -6.582 1.00 2.24 H new ATOM 0 HD11 ILE A 169 5.280 7.900 -5.731 1.00 3.99 H new ATOM 0 HD12 ILE A 169 6.604 8.653 -6.651 1.00 3.99 H new ATOM 0 HD13 ILE A 169 5.791 7.204 -7.287 1.00 3.99 H new ATOM 2688 N GLN A 170 11.120 4.507 -5.647 1.00 0.01 N ATOM 2689 CA GLN A 170 12.192 3.603 -6.175 1.00 0.01 C ATOM 2690 C GLN A 170 11.671 2.212 -6.551 1.00 0.02 C ATOM 2691 O GLN A 170 12.381 1.472 -7.201 1.00 0.01 O ATOM 2692 CB GLN A 170 13.278 3.458 -5.108 1.00 2.62 C ATOM 2693 CG GLN A 170 13.951 4.815 -4.888 1.00 3.39 C ATOM 2694 CD GLN A 170 14.854 5.137 -6.079 1.00 4.36 C ATOM 2695 OE1 GLN A 170 14.981 4.345 -6.992 1.00 4.83 O ATOM 2696 NE2 GLN A 170 15.493 6.275 -6.111 1.00 5.17 N ATOM 0 H GLN A 170 10.740 4.241 -4.739 1.00 0.01 H new ATOM 0 HA GLN A 170 12.583 4.055 -7.086 1.00 0.01 H new ATOM 0 HB2 GLN A 170 12.843 3.099 -4.175 1.00 2.62 H new ATOM 0 HB3 GLN A 170 14.016 2.719 -5.421 1.00 2.62 H new ATOM 0 HG2 GLN A 170 13.196 5.592 -4.770 1.00 3.39 H new ATOM 0 HG3 GLN A 170 14.536 4.797 -3.969 1.00 3.39 H new ATOM 0 HE21 GLN A 170 15.387 6.941 -5.346 1.00 5.17 H new ATOM 0 HE22 GLN A 170 16.098 6.498 -6.901 1.00 5.17 H new ATOM 2705 N SER A 171 10.479 1.803 -6.189 1.00 0.01 N ATOM 2706 CA SER A 171 10.052 0.427 -6.603 1.00 0.01 C ATOM 2707 C SER A 171 8.523 0.334 -6.612 1.00 0.01 C ATOM 2708 O SER A 171 7.837 1.104 -5.971 1.00 0.01 O ATOM 2709 CB SER A 171 10.621 -0.602 -5.620 1.00 0.01 C ATOM 2710 OG SER A 171 9.705 -0.781 -4.548 1.00 0.02 O ATOM 0 H SER A 171 9.803 2.339 -5.644 1.00 0.01 H new ATOM 0 HA SER A 171 10.428 0.223 -7.605 1.00 0.01 H new ATOM 0 HB2 SER A 171 10.795 -1.551 -6.128 1.00 0.01 H new ATOM 0 HB3 SER A 171 11.584 -0.264 -5.238 1.00 0.01 H new ATOM 0 HG SER A 171 10.177 -0.684 -3.695 1.00 0.02 H new ATOM 2716 N PHE A 172 7.983 -0.628 -7.322 1.00 0.01 N ATOM 2717 CA PHE A 172 6.496 -0.790 -7.357 1.00 0.01 C ATOM 2718 C PHE A 172 6.133 -2.260 -7.591 1.00 0.01 C ATOM 2719 O PHE A 172 6.894 -3.018 -8.162 1.00 0.01 O ATOM 2720 CB PHE A 172 5.884 0.089 -8.453 1.00 1.06 C ATOM 2721 CG PHE A 172 6.473 -0.249 -9.801 1.00 0.75 C ATOM 2722 CD1 PHE A 172 6.039 -1.385 -10.492 1.00 0.75 C ATOM 2723 CD2 PHE A 172 7.441 0.588 -10.370 1.00 1.29 C ATOM 2724 CE1 PHE A 172 6.573 -1.686 -11.751 1.00 1.16 C ATOM 2725 CE2 PHE A 172 7.972 0.288 -11.629 1.00 2.02 C ATOM 2726 CZ PHE A 172 7.540 -0.847 -12.319 1.00 1.92 C ATOM 0 H PHE A 172 8.506 -1.305 -7.877 1.00 0.01 H new ATOM 0 HA PHE A 172 6.089 -0.474 -6.396 1.00 0.01 H new ATOM 0 HB2 PHE A 172 4.803 -0.052 -8.477 1.00 1.06 H new ATOM 0 HB3 PHE A 172 6.064 1.140 -8.226 1.00 1.06 H new ATOM 0 HD1 PHE A 172 5.292 -2.030 -10.054 1.00 0.75 H new ATOM 0 HD2 PHE A 172 7.777 1.465 -9.837 1.00 1.29 H new ATOM 0 HE1 PHE A 172 6.239 -2.564 -12.284 1.00 1.16 H new ATOM 0 HE2 PHE A 172 8.717 0.935 -12.068 1.00 2.02 H new ATOM 0 HZ PHE A 172 7.952 -1.078 -13.290 1.00 1.92 H new ATOM 2736 N ARG A 173 4.981 -2.682 -7.123 1.00 0.01 N ATOM 2737 CA ARG A 173 4.579 -4.115 -7.287 1.00 0.01 C ATOM 2738 C ARG A 173 3.080 -4.215 -7.566 1.00 0.01 C ATOM 2739 O ARG A 173 2.286 -3.428 -7.088 1.00 0.01 O ATOM 2740 CB ARG A 173 4.850 -4.877 -5.983 1.00 0.01 C ATOM 2741 CG ARG A 173 6.352 -5.015 -5.726 1.00 0.01 C ATOM 2742 CD ARG A 173 6.571 -5.445 -4.269 1.00 0.01 C ATOM 2743 NE ARG A 173 5.464 -6.347 -3.840 1.00 0.01 N ATOM 2744 CZ ARG A 173 5.590 -7.063 -2.759 1.00 0.01 C ATOM 2745 NH1 ARG A 173 6.687 -6.995 -2.057 1.00 0.01 N ATOM 2746 NH2 ARG A 173 4.619 -7.848 -2.378 1.00 0.01 N ATOM 0 H ARG A 173 4.303 -2.096 -6.635 1.00 0.01 H new ATOM 0 HA ARG A 173 5.150 -4.536 -8.115 1.00 0.01 H new ATOM 0 HB2 ARG A 173 4.382 -4.354 -5.149 1.00 0.01 H new ATOM 0 HB3 ARG A 173 4.395 -5.866 -6.035 1.00 0.01 H new ATOM 0 HG2 ARG A 173 6.784 -5.750 -6.405 1.00 0.01 H new ATOM 0 HG3 ARG A 173 6.856 -4.068 -5.919 1.00 0.01 H new ATOM 0 HD2 ARG A 173 7.529 -5.956 -4.171 1.00 0.01 H new ATOM 0 HD3 ARG A 173 6.610 -4.568 -3.623 1.00 0.01 H new ATOM 0 HE ARG A 173 4.609 -6.403 -4.393 1.00 0.01 H new ATOM 0 HH11 ARG A 173 7.446 -6.381 -2.354 1.00 0.01 H new ATOM 0 HH12 ARG A 173 6.786 -7.555 -1.210 1.00 0.01 H new ATOM 0 HH21 ARG A 173 3.761 -7.901 -2.927 1.00 0.01 H new ATOM 0 HH22 ARG A 173 4.718 -8.408 -1.531 1.00 0.01 H new ATOM 2760 N ARG A 174 2.687 -5.210 -8.316 1.00 0.01 N ATOM 2761 CA ARG A 174 1.243 -5.410 -8.610 1.00 0.01 C ATOM 2762 C ARG A 174 0.639 -6.247 -7.482 1.00 0.01 C ATOM 2763 O ARG A 174 1.250 -7.184 -7.006 1.00 0.01 O ATOM 2764 CB ARG A 174 1.081 -6.165 -9.932 1.00 0.01 C ATOM 2765 CG ARG A 174 1.810 -7.511 -9.845 1.00 0.01 C ATOM 2766 CD ARG A 174 1.924 -8.135 -11.241 1.00 0.01 C ATOM 2767 NE ARG A 174 0.587 -8.628 -11.678 1.00 0.01 N ATOM 2768 CZ ARG A 174 0.374 -8.920 -12.932 1.00 0.01 C ATOM 2769 NH1 ARG A 174 1.328 -8.769 -13.809 1.00 0.01 N ATOM 2770 NH2 ARG A 174 -0.794 -9.362 -13.311 1.00 0.01 N ATOM 0 H ARG A 174 3.311 -5.896 -8.739 1.00 0.01 H new ATOM 0 HA ARG A 174 0.742 -4.445 -8.687 1.00 0.01 H new ATOM 0 HB2 ARG A 174 0.024 -6.325 -10.144 1.00 0.01 H new ATOM 0 HB3 ARG A 174 1.485 -5.573 -10.753 1.00 0.01 H new ATOM 0 HG2 ARG A 174 2.803 -7.370 -9.418 1.00 0.01 H new ATOM 0 HG3 ARG A 174 1.270 -8.184 -9.179 1.00 0.01 H new ATOM 0 HD2 ARG A 174 2.301 -7.398 -11.950 1.00 0.01 H new ATOM 0 HD3 ARG A 174 2.639 -8.957 -11.226 1.00 0.01 H new ATOM 0 HE ARG A 174 -0.163 -8.737 -10.995 1.00 0.01 H new ATOM 0 HH11 ARG A 174 2.241 -8.423 -13.515 1.00 0.01 H new ATOM 0 HH12 ARG A 174 1.161 -8.997 -14.789 1.00 0.01 H new ATOM 0 HH21 ARG A 174 -1.541 -9.479 -12.627 1.00 0.01 H new ATOM 0 HH22 ARG A 174 -0.959 -9.590 -14.291 1.00 0.01 H new ATOM 2784 N ILE A 175 -0.556 -5.932 -7.057 1.00 0.01 N ATOM 2785 CA ILE A 175 -1.187 -6.739 -5.966 1.00 0.01 C ATOM 2786 C ILE A 175 -2.078 -7.820 -6.578 1.00 0.00 C ATOM 2787 O ILE A 175 -2.894 -7.549 -7.436 1.00 0.01 O ATOM 2788 CB ILE A 175 -2.038 -5.853 -5.058 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -1.256 -4.584 -4.687 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -2.382 -6.632 -3.789 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -2.119 -3.638 -3.825 1.00 3.04 C ATOM 0 H ILE A 175 -1.119 -5.159 -7.412 1.00 0.01 H new ATOM 0 HA ILE A 175 -0.393 -7.195 -5.375 1.00 0.01 H new ATOM 0 HB ILE A 175 -2.953 -5.566 -5.577 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -0.352 -4.855 -4.142 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -0.939 -4.069 -5.594 1.00 2.51 H new ATOM 0 HG21 ILE A 175 -2.990 -6.009 -3.133 1.00 1.75 H new ATOM 0 HG22 ILE A 175 -2.939 -7.531 -4.054 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -1.463 -6.913 -3.274 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.543 -2.747 -3.575 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -3.010 -3.350 -4.382 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -2.414 -4.149 -2.908 1.00 3.04 H new ATOM 2803 N VAL A 176 -1.925 -9.044 -6.141 1.00 0.01 N ATOM 2804 CA VAL A 176 -2.756 -10.162 -6.688 1.00 0.00 C ATOM 2805 C VAL A 176 -3.247 -11.044 -5.539 1.00 0.01 C ATOM 2806 O VAL A 176 -2.579 -11.205 -4.538 1.00 0.00 O ATOM 2807 CB VAL A 176 -1.909 -11.008 -7.639 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -1.652 -10.226 -8.928 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -0.574 -11.342 -6.967 1.00 1.89 C ATOM 0 H VAL A 176 -1.255 -9.320 -5.423 1.00 0.01 H new ATOM 0 HA VAL A 176 -3.610 -9.747 -7.224 1.00 0.00 H new ATOM 0 HB VAL A 176 -2.438 -11.931 -7.877 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -1.048 -10.830 -9.606 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -2.603 -9.987 -9.404 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -1.122 -9.303 -8.694 1.00 1.88 H new ATOM 0 HG21 VAL A 176 0.032 -11.945 -7.643 1.00 1.89 H new ATOM 0 HG22 VAL A 176 -0.045 -10.419 -6.731 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -0.758 -11.900 -6.049 1.00 1.89 H new ATOM 2819 N GLU A 177 -4.414 -11.613 -5.674 1.00 0.01 N ATOM 2820 CA GLU A 177 -4.955 -12.482 -4.591 1.00 0.01 C ATOM 2821 C GLU A 177 -4.885 -11.735 -3.257 1.00 0.01 C ATOM 2822 O GLU A 177 -3.880 -11.757 -2.576 1.00 0.01 O ATOM 2823 CB GLU A 177 -4.127 -13.765 -4.501 1.00 2.15 C ATOM 2824 CG GLU A 177 -4.662 -14.637 -3.366 1.00 3.19 C ATOM 2825 CD GLU A 177 -4.038 -16.030 -3.454 1.00 4.20 C ATOM 2826 OE1 GLU A 177 -4.097 -16.616 -4.523 1.00 4.89 O ATOM 2827 OE2 GLU A 177 -3.510 -16.485 -2.454 1.00 4.77 O ATOM 0 H GLU A 177 -5.018 -11.513 -6.490 1.00 0.01 H new ATOM 0 HA GLU A 177 -5.992 -12.736 -4.813 1.00 0.01 H new ATOM 0 HB2 GLU A 177 -4.174 -14.308 -5.445 1.00 2.15 H new ATOM 0 HB3 GLU A 177 -3.079 -13.523 -4.325 1.00 2.15 H new ATOM 0 HG2 GLU A 177 -4.428 -14.183 -2.403 1.00 3.19 H new ATOM 0 HG3 GLU A 177 -5.748 -14.709 -3.429 1.00 3.19 H new