USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 714 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 79 THR OG1 : rot -86:sc= 0.588 USER MOD Set 1.2: A 82 THR OG1 : rot -95:sc= 0.966 USER MOD Set 2.1: A 43 CYS SG : rot 180:sc= -1.7 USER MOD Set 2.2: A 87 GLN : amide:sc= -2.92 K(o=-4.6,f=-4) USER MOD Set 3.1: A 39 CYS SG : rot -150:sc= 0.0635 USER MOD Set 3.2: A 45 CYS SG : rot -91:sc= -0.51 USER MOD Set 3.3: A 48 CYS SG : rot 177:sc= 0.23 USER MOD Set 3.4: A 86 CYS SG : rot 180:sc= 0.102 USER MOD Set 4.1: A 18 GLN : amide:sc= -1.15 K(o=-7,f=-5) USER MOD Set 4.2: A 21 GLN : amide:sc= -5.83! C(o=-7!,f=-5.8!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot -148:sc= -3.28! USER MOD Single : A 22 SER OG : rot -140:sc= -0.038 USER MOD Single : A 24 MET CE :methyl 170:sc= -2.57 (180deg=-2.8) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.29 K(o=-0.29,f=-2.1!) USER MOD Single : A 30 ASN : amide:sc= -32.2! C(o=-32!,f=-33!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -2.27! C(o=-2.3!,f=-12!) USER MOD Single : A 68 ASN : amide:sc= -0.786 K(o=-0.79,f=-0.045) USER MOD Single : A 72 GLN : amide:sc= -0.263 X(o=-0.26,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -96:sc= 1.11 USER MOD Single : A 78 MET CE :methyl 171:sc= -0.313 (180deg=-0.439) USER MOD Single : A 85 SER OG : rot -83:sc= -1.69 USER MOD Single : A 93 SER OG : rot 180:sc= -0.877 USER MOD Single : A 94 MET CE :methyl -129:sc= -13! (180deg=-19.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 4.039 13.915 -4.814 1.00 0.00 N ATOM 2 CA PRO A 1 4.479 13.964 -3.389 1.00 0.00 C ATOM 3 C PRO A 1 5.755 13.194 -3.139 1.00 0.00 C ATOM 4 O PRO A 1 6.496 12.854 -4.058 1.00 0.00 O ATOM 5 CB PRO A 1 3.364 13.341 -2.573 1.00 0.00 C ATOM 6 CG PRO A 1 2.204 13.477 -3.454 1.00 0.00 C ATOM 7 CD PRO A 1 2.762 13.168 -4.813 1.00 0.00 C ATOM 0 H2 PRO A 1 4.735 13.450 -5.397 1.00 0.00 H new ATOM 0 H3 PRO A 1 3.914 14.854 -5.191 1.00 0.00 H new ATOM 0 HA PRO A 1 4.681 15.000 -3.116 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.571 12.298 -2.335 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.216 13.861 -1.626 1.00 0.00 H new ATOM 0 HG2 PRO A 1 1.408 12.785 -3.180 1.00 0.00 H new ATOM 0 HG3 PRO A 1 1.782 14.481 -3.411 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.918 12.098 -4.954 1.00 0.00 H new ATOM 0 HD3 PRO A 1 2.097 13.501 -5.610 1.00 0.00 H new ATOM 17 N ARG A 2 5.965 12.905 -1.867 1.00 0.00 N ATOM 18 CA ARG A 2 7.123 12.137 -1.413 1.00 0.00 C ATOM 19 C ARG A 2 6.616 10.843 -0.797 1.00 0.00 C ATOM 20 O ARG A 2 5.445 10.772 -0.428 1.00 0.00 O ATOM 21 CB ARG A 2 7.926 12.952 -0.391 1.00 0.00 C ATOM 22 CG ARG A 2 9.092 12.201 0.233 1.00 0.00 C ATOM 23 CD ARG A 2 10.413 12.903 -0.039 1.00 0.00 C ATOM 24 NE ARG A 2 11.102 13.273 1.195 1.00 0.00 N ATOM 25 CZ ARG A 2 11.468 12.398 2.127 1.00 0.00 C ATOM 26 NH1 ARG A 2 11.212 11.108 1.966 1.00 0.00 N ATOM 27 NH2 ARG A 2 12.092 12.814 3.222 1.00 0.00 N ATOM 0 H ARG A 2 5.340 13.194 -1.115 1.00 0.00 H new ATOM 0 HA ARG A 2 7.785 11.911 -2.249 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.307 13.850 -0.878 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.255 13.280 0.402 1.00 0.00 H new ATOM 0 HG2 ARG A 2 8.938 12.116 1.309 1.00 0.00 H new ATOM 0 HG3 ARG A 2 9.128 11.187 -0.165 1.00 0.00 H new ATOM 0 HD2 ARG A 2 11.055 12.250 -0.631 1.00 0.00 H new ATOM 0 HD3 ARG A 2 10.232 13.797 -0.635 1.00 0.00 H new ATOM 0 HE ARG A 2 11.314 14.258 1.350 1.00 0.00 H new ATOM 0 HH11 ARG A 2 10.733 10.784 1.126 1.00 0.00 H new ATOM 0 HH12 ARG A 2 11.494 10.439 2.682 1.00 0.00 H new ATOM 0 HH21 ARG A 2 12.291 13.806 3.350 1.00 0.00 H new ATOM 0 HH22 ARG A 2 12.372 12.142 3.936 1.00 0.00 H new ATOM 41 N VAL A 3 7.432 9.797 -0.710 1.00 0.00 N ATOM 42 CA VAL A 3 6.920 8.572 -0.159 1.00 0.00 C ATOM 43 C VAL A 3 8.013 7.716 0.459 1.00 0.00 C ATOM 44 O VAL A 3 9.202 7.997 0.329 1.00 0.00 O ATOM 45 CB VAL A 3 6.155 7.822 -1.264 1.00 0.00 C ATOM 46 CG1 VAL A 3 6.340 6.343 -1.229 1.00 0.00 C ATOM 47 CG2 VAL A 3 4.693 8.093 -1.174 1.00 0.00 C ATOM 0 H VAL A 3 8.409 9.780 -1.003 1.00 0.00 H new ATOM 0 HA VAL A 3 6.239 8.806 0.659 1.00 0.00 H new ATOM 0 HB VAL A 3 6.574 8.198 -2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.770 5.886 -2.038 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.397 6.106 -1.350 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.988 5.955 -0.273 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.173 7.552 -1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.321 7.763 -0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.514 9.162 -1.287 1.00 0.00 H new ATOM 57 N VAL A 4 7.599 6.662 1.136 1.00 0.00 N ATOM 58 CA VAL A 4 8.547 5.763 1.761 1.00 0.00 C ATOM 59 C VAL A 4 7.963 4.382 1.932 1.00 0.00 C ATOM 60 O VAL A 4 7.090 4.156 2.752 1.00 0.00 O ATOM 61 CB VAL A 4 9.067 6.293 3.109 1.00 0.00 C ATOM 62 CG1 VAL A 4 9.669 5.166 3.941 1.00 0.00 C ATOM 63 CG2 VAL A 4 10.099 7.372 2.860 1.00 0.00 C ATOM 0 H VAL A 4 6.619 6.409 1.266 1.00 0.00 H new ATOM 0 HA VAL A 4 9.400 5.702 1.085 1.00 0.00 H new ATOM 0 HB VAL A 4 8.231 6.712 3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.029 5.566 4.889 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.909 4.409 4.132 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.500 4.716 3.398 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.469 7.749 3.814 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.929 6.957 2.288 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.644 8.188 2.299 1.00 0.00 H new ATOM 73 N PHE A 5 8.488 3.470 1.149 1.00 0.00 N ATOM 74 CA PHE A 5 8.065 2.081 1.168 1.00 0.00 C ATOM 75 C PHE A 5 8.931 1.280 2.133 1.00 0.00 C ATOM 76 O PHE A 5 9.908 1.793 2.677 1.00 0.00 O ATOM 77 CB PHE A 5 8.237 1.488 -0.215 1.00 0.00 C ATOM 78 CG PHE A 5 7.218 1.884 -1.239 1.00 0.00 C ATOM 79 CD1 PHE A 5 6.588 3.132 -1.243 1.00 0.00 C ATOM 80 CD2 PHE A 5 6.915 0.988 -2.244 1.00 0.00 C ATOM 81 CE1 PHE A 5 5.684 3.452 -2.236 1.00 0.00 C ATOM 82 CE2 PHE A 5 6.020 1.300 -3.230 1.00 0.00 C ATOM 83 CZ PHE A 5 5.401 2.533 -3.236 1.00 0.00 C ATOM 0 H PHE A 5 9.227 3.668 0.474 1.00 0.00 H new ATOM 0 HA PHE A 5 7.022 2.039 1.482 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.222 1.768 -0.587 1.00 0.00 H new ATOM 0 HB3 PHE A 5 8.227 0.402 -0.125 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.809 3.849 -0.466 1.00 0.00 H new ATOM 0 HD2 PHE A 5 7.395 0.020 -2.252 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.198 4.416 -2.234 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.798 0.581 -4.004 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.698 2.782 -4.017 1.00 0.00 H new ATOM 93 N ILE A 6 8.568 0.020 2.329 1.00 0.00 N ATOM 94 CA ILE A 6 9.291 -0.866 3.207 1.00 0.00 C ATOM 95 C ILE A 6 9.151 -2.317 2.760 1.00 0.00 C ATOM 96 O ILE A 6 8.188 -2.672 2.082 1.00 0.00 O ATOM 97 CB ILE A 6 8.767 -0.757 4.632 1.00 0.00 C ATOM 98 CG1 ILE A 6 8.369 0.682 4.937 1.00 0.00 C ATOM 99 CG2 ILE A 6 9.828 -1.236 5.578 1.00 0.00 C ATOM 100 CD1 ILE A 6 9.548 1.582 5.204 1.00 0.00 C ATOM 0 H ILE A 6 7.760 -0.410 1.878 1.00 0.00 H new ATOM 0 HA ILE A 6 10.339 -0.569 3.169 1.00 0.00 H new ATOM 0 HB ILE A 6 7.879 -1.378 4.750 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.800 1.080 4.097 1.00 0.00 H new ATOM 0 HG13 ILE A 6 7.708 0.693 5.804 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.463 -1.162 6.602 1.00 0.00 H new ATOM 0 HG22 ILE A 6 10.073 -2.274 5.354 1.00 0.00 H new ATOM 0 HG23 ILE A 6 10.720 -0.620 5.466 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.195 2.592 5.414 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.105 1.207 6.062 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.198 1.600 4.329 1.00 0.00 H new ATOM 112 N ASP A 7 10.104 -3.152 3.153 1.00 0.00 N ATOM 113 CA ASP A 7 10.068 -4.565 2.800 1.00 0.00 C ATOM 114 C ASP A 7 11.147 -5.343 3.545 1.00 0.00 C ATOM 115 O ASP A 7 12.056 -4.760 4.126 1.00 0.00 O ATOM 116 CB ASP A 7 10.234 -4.742 1.295 1.00 0.00 C ATOM 117 CG ASP A 7 9.445 -5.921 0.759 1.00 0.00 C ATOM 118 OD1 ASP A 7 9.597 -7.035 1.303 1.00 0.00 O ATOM 119 OD2 ASP A 7 8.675 -5.730 -0.206 1.00 0.00 O ATOM 0 H ASP A 7 10.909 -2.876 3.715 1.00 0.00 H new ATOM 0 HA ASP A 7 9.097 -4.962 3.096 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.912 -3.833 0.788 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.290 -4.880 1.063 1.00 0.00 H new ATOM 124 N GLU A 8 11.027 -6.659 3.529 1.00 0.00 N ATOM 125 CA GLU A 8 11.978 -7.532 4.209 1.00 0.00 C ATOM 126 C GLU A 8 13.259 -7.724 3.402 1.00 0.00 C ATOM 127 O GLU A 8 14.220 -8.320 3.887 1.00 0.00 O ATOM 128 CB GLU A 8 11.335 -8.888 4.478 1.00 0.00 C ATOM 129 CG GLU A 8 11.834 -9.551 5.748 1.00 0.00 C ATOM 130 CD GLU A 8 12.793 -10.691 5.472 1.00 0.00 C ATOM 131 OE1 GLU A 8 12.340 -11.740 4.970 1.00 0.00 O ATOM 132 OE2 GLU A 8 14.000 -10.532 5.754 1.00 0.00 O ATOM 0 H GLU A 8 10.275 -7.153 3.049 1.00 0.00 H new ATOM 0 HA GLU A 8 12.247 -7.053 5.150 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.254 -8.763 4.543 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.529 -9.548 3.632 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.330 -8.807 6.371 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.983 -9.927 6.316 1.00 0.00 H new ATOM 139 N GLN A 9 13.274 -7.223 2.172 1.00 0.00 N ATOM 140 CA GLN A 9 14.450 -7.358 1.319 1.00 0.00 C ATOM 141 C GLN A 9 15.400 -6.185 1.522 1.00 0.00 C ATOM 142 O GLN A 9 16.619 -6.332 1.413 1.00 0.00 O ATOM 143 CB GLN A 9 14.035 -7.450 -0.149 1.00 0.00 C ATOM 144 CG GLN A 9 12.760 -8.245 -0.371 1.00 0.00 C ATOM 145 CD GLN A 9 13.024 -9.610 -0.975 1.00 0.00 C ATOM 146 OE1 GLN A 9 13.598 -9.721 -2.059 1.00 0.00 O ATOM 147 NE2 GLN A 9 12.609 -10.659 -0.275 1.00 0.00 N ATOM 0 H GLN A 9 12.493 -6.724 1.746 1.00 0.00 H new ATOM 0 HA GLN A 9 14.969 -8.276 1.596 1.00 0.00 H new ATOM 0 HB2 GLN A 9 13.899 -6.443 -0.543 1.00 0.00 H new ATOM 0 HB3 GLN A 9 14.843 -7.909 -0.718 1.00 0.00 H new ATOM 0 HG2 GLN A 9 12.241 -8.366 0.580 1.00 0.00 H new ATOM 0 HG3 GLN A 9 12.095 -7.683 -1.027 1.00 0.00 H new ATOM 0 HE21 GLN A 9 12.137 -10.521 0.619 1.00 0.00 H new ATOM 0 HE22 GLN A 9 12.762 -11.603 -0.631 1.00 0.00 H new ATOM 156 N SER A 10 14.837 -5.021 1.823 1.00 0.00 N ATOM 157 CA SER A 10 15.634 -3.821 2.046 1.00 0.00 C ATOM 158 C SER A 10 15.231 -3.128 3.347 1.00 0.00 C ATOM 159 O SER A 10 15.829 -2.124 3.735 1.00 0.00 O ATOM 160 CB SER A 10 15.478 -2.856 0.871 1.00 0.00 C ATOM 161 OG SER A 10 16.655 -2.091 0.679 1.00 0.00 O ATOM 0 H SER A 10 13.831 -4.883 1.918 1.00 0.00 H new ATOM 0 HA SER A 10 16.679 -4.121 2.127 1.00 0.00 H new ATOM 0 HB2 SER A 10 15.253 -3.416 -0.036 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.634 -2.191 1.052 1.00 0.00 H new ATOM 0 HG SER A 10 16.530 -1.483 -0.079 1.00 0.00 H new ATOM 167 N GLY A 11 14.211 -3.664 4.015 1.00 0.00 N ATOM 168 CA GLY A 11 13.747 -3.078 5.259 1.00 0.00 C ATOM 169 C GLY A 11 13.398 -1.614 5.115 1.00 0.00 C ATOM 170 O GLY A 11 13.292 -0.889 6.104 1.00 0.00 O ATOM 0 H GLY A 11 13.699 -4.494 3.715 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.871 -3.624 5.610 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.519 -3.191 6.020 1.00 0.00 H new ATOM 174 N GLU A 12 13.209 -1.188 3.878 1.00 0.00 N ATOM 175 CA GLU A 12 12.854 0.193 3.585 1.00 0.00 C ATOM 176 C GLU A 12 12.996 0.481 2.104 1.00 0.00 C ATOM 177 O GLU A 12 13.888 -0.043 1.436 1.00 0.00 O ATOM 178 CB GLU A 12 13.714 1.164 4.390 1.00 0.00 C ATOM 179 CG GLU A 12 13.777 2.557 3.779 1.00 0.00 C ATOM 180 CD GLU A 12 14.603 3.523 4.605 1.00 0.00 C ATOM 181 OE1 GLU A 12 14.173 3.864 5.726 1.00 0.00 O ATOM 182 OE2 GLU A 12 15.680 3.940 4.129 1.00 0.00 O ATOM 0 H GLU A 12 13.296 -1.782 3.054 1.00 0.00 H new ATOM 0 HA GLU A 12 11.812 0.335 3.873 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.318 1.236 5.403 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.725 0.763 4.471 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.199 2.490 2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 12 12.765 2.949 3.674 1.00 0.00 H new ATOM 189 N TYR A 13 12.106 1.311 1.600 1.00 0.00 N ATOM 190 CA TYR A 13 12.115 1.672 0.200 1.00 0.00 C ATOM 191 C TYR A 13 11.631 3.104 -0.001 1.00 0.00 C ATOM 192 O TYR A 13 10.614 3.347 -0.649 1.00 0.00 O ATOM 193 CB TYR A 13 11.248 0.688 -0.556 1.00 0.00 C ATOM 194 CG TYR A 13 11.905 -0.650 -0.696 1.00 0.00 C ATOM 195 CD1 TYR A 13 11.921 -1.545 0.367 1.00 0.00 C ATOM 196 CD2 TYR A 13 12.506 -1.019 -1.885 1.00 0.00 C ATOM 197 CE1 TYR A 13 12.526 -2.784 0.246 1.00 0.00 C ATOM 198 CE2 TYR A 13 13.114 -2.247 -2.022 1.00 0.00 C ATOM 199 CZ TYR A 13 13.122 -3.132 -0.955 1.00 0.00 C ATOM 200 OH TYR A 13 13.725 -4.360 -1.089 1.00 0.00 O ATOM 0 H TYR A 13 11.363 1.750 2.144 1.00 0.00 H new ATOM 0 HA TYR A 13 13.134 1.627 -0.183 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.296 0.572 -0.038 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.025 1.087 -1.545 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.454 -1.270 1.301 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.499 -0.333 -2.720 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.533 -3.472 1.079 1.00 0.00 H new ATOM 0 HE2 TYR A 13 13.582 -2.519 -2.956 1.00 0.00 H new ATOM 0 HH TYR A 13 14.483 -4.287 -1.706 1.00 0.00 H new ATOM 210 N ALA A 14 12.377 4.046 0.567 1.00 0.00 N ATOM 211 CA ALA A 14 12.043 5.461 0.464 1.00 0.00 C ATOM 212 C ALA A 14 11.845 5.869 -0.983 1.00 0.00 C ATOM 213 O ALA A 14 12.646 5.529 -1.854 1.00 0.00 O ATOM 214 CB ALA A 14 13.120 6.312 1.119 1.00 0.00 C ATOM 0 H ALA A 14 13.221 3.853 1.106 1.00 0.00 H new ATOM 0 HA ALA A 14 11.104 5.627 0.991 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.854 7.365 1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.205 6.044 2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.074 6.137 0.622 1.00 0.00 H new ATOM 220 N VAL A 15 10.760 6.587 -1.235 1.00 0.00 N ATOM 221 CA VAL A 15 10.442 7.027 -2.578 1.00 0.00 C ATOM 222 C VAL A 15 9.556 8.253 -2.570 1.00 0.00 C ATOM 223 O VAL A 15 9.536 9.031 -1.621 1.00 0.00 O ATOM 224 CB VAL A 15 9.790 5.876 -3.379 1.00 0.00 C ATOM 225 CG1 VAL A 15 8.317 5.661 -3.034 1.00 0.00 C ATOM 226 CG2 VAL A 15 9.961 6.082 -4.874 1.00 0.00 C ATOM 0 H VAL A 15 10.087 6.875 -0.524 1.00 0.00 H new ATOM 0 HA VAL A 15 11.374 7.308 -3.068 1.00 0.00 H new ATOM 0 HB VAL A 15 10.317 4.969 -3.084 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.920 4.840 -3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.223 5.419 -1.975 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.756 6.570 -3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.493 5.257 -5.411 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.491 7.020 -5.168 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.023 6.117 -5.117 1.00 0.00 H new ATOM 236 N ASP A 16 8.852 8.424 -3.648 1.00 0.00 N ATOM 237 CA ASP A 16 7.968 9.528 -3.830 1.00 0.00 C ATOM 238 C ASP A 16 6.944 9.147 -4.846 1.00 0.00 C ATOM 239 O ASP A 16 7.115 8.188 -5.592 1.00 0.00 O ATOM 240 CB ASP A 16 8.702 10.730 -4.351 1.00 0.00 C ATOM 241 CG ASP A 16 10.098 10.870 -3.775 1.00 0.00 C ATOM 242 OD1 ASP A 16 10.218 11.061 -2.547 1.00 0.00 O ATOM 243 OD2 ASP A 16 11.072 10.788 -4.553 1.00 0.00 O ATOM 0 H ASP A 16 8.879 7.784 -4.441 1.00 0.00 H new ATOM 0 HA ASP A 16 7.517 9.773 -2.868 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.768 10.665 -5.437 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.128 11.627 -4.120 1.00 0.00 H new ATOM 248 N ALA A 17 5.883 9.885 -4.873 1.00 0.00 N ATOM 249 CA ALA A 17 4.829 9.601 -5.795 1.00 0.00 C ATOM 250 C ALA A 17 4.229 10.869 -6.375 1.00 0.00 C ATOM 251 O ALA A 17 4.671 11.974 -6.070 1.00 0.00 O ATOM 252 CB ALA A 17 3.814 8.793 -5.047 1.00 0.00 C ATOM 0 H ALA A 17 5.721 10.690 -4.268 1.00 0.00 H new ATOM 0 HA ALA A 17 5.206 9.045 -6.653 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.984 8.548 -5.709 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.275 7.873 -4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.444 9.369 -4.199 1.00 0.00 H new ATOM 258 N GLN A 18 3.220 10.696 -7.212 1.00 0.00 N ATOM 259 CA GLN A 18 2.535 11.816 -7.842 1.00 0.00 C ATOM 260 C GLN A 18 1.031 11.609 -7.748 1.00 0.00 C ATOM 261 O GLN A 18 0.520 10.561 -8.144 1.00 0.00 O ATOM 262 CB GLN A 18 2.960 11.955 -9.306 1.00 0.00 C ATOM 263 CG GLN A 18 4.462 11.851 -9.515 1.00 0.00 C ATOM 264 CD GLN A 18 4.851 11.862 -10.981 1.00 0.00 C ATOM 265 OE1 GLN A 18 4.160 11.289 -11.823 1.00 0.00 O ATOM 266 NE2 GLN A 18 5.964 12.517 -11.293 1.00 0.00 N ATOM 0 H GLN A 18 2.853 9.781 -7.474 1.00 0.00 H new ATOM 0 HA GLN A 18 2.806 12.734 -7.321 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.465 11.182 -9.894 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.614 12.916 -9.687 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.954 12.680 -9.007 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.826 10.933 -9.054 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.506 12.978 -10.562 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.276 12.559 -12.263 1.00 0.00 H new ATOM 275 N ASP A 19 0.322 12.594 -7.199 1.00 0.00 N ATOM 276 CA ASP A 19 -1.125 12.473 -7.043 1.00 0.00 C ATOM 277 C ASP A 19 -1.728 11.766 -8.239 1.00 0.00 C ATOM 278 O ASP A 19 -1.689 12.259 -9.366 1.00 0.00 O ATOM 279 CB ASP A 19 -1.799 13.827 -6.797 1.00 0.00 C ATOM 280 CG ASP A 19 -0.830 14.911 -6.364 1.00 0.00 C ATOM 281 OD1 ASP A 19 -0.273 15.598 -7.246 1.00 0.00 O ATOM 282 OD2 ASP A 19 -0.630 15.074 -5.142 1.00 0.00 O ATOM 0 H ASP A 19 0.718 13.471 -6.860 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.310 11.870 -6.154 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.304 14.144 -7.709 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.567 13.709 -6.032 1.00 0.00 H new ATOM 287 N GLY A 20 -2.257 10.583 -7.975 1.00 0.00 N ATOM 288 CA GLY A 20 -2.836 9.773 -9.019 1.00 0.00 C ATOM 289 C GLY A 20 -2.144 8.430 -9.121 1.00 0.00 C ATOM 290 O GLY A 20 -2.532 7.586 -9.929 1.00 0.00 O ATOM 0 H GLY A 20 -2.295 10.167 -7.044 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.897 9.624 -8.820 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.761 10.296 -9.972 1.00 0.00 H new ATOM 294 N GLN A 21 -1.117 8.222 -8.289 1.00 0.00 N ATOM 295 CA GLN A 21 -0.387 6.963 -8.288 1.00 0.00 C ATOM 296 C GLN A 21 -0.523 6.278 -6.941 1.00 0.00 C ATOM 297 O GLN A 21 -0.709 6.934 -5.919 1.00 0.00 O ATOM 298 CB GLN A 21 1.091 7.195 -8.594 1.00 0.00 C ATOM 299 CG GLN A 21 1.354 7.825 -9.951 1.00 0.00 C ATOM 300 CD GLN A 21 2.653 8.608 -9.994 1.00 0.00 C ATOM 301 OE1 GLN A 21 2.885 9.397 -10.909 1.00 0.00 O ATOM 302 NE2 GLN A 21 3.514 8.391 -9.004 1.00 0.00 N ATOM 0 H GLN A 21 -0.779 8.908 -7.614 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.812 6.325 -9.063 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.515 7.835 -7.820 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.616 6.241 -8.541 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.381 7.043 -10.710 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.527 8.488 -10.205 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.283 7.728 -8.264 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.405 8.887 -8.985 1.00 0.00 H new ATOM 311 N SER A 22 -0.431 4.958 -6.941 1.00 0.00 N ATOM 312 CA SER A 22 -0.551 4.204 -5.707 1.00 0.00 C ATOM 313 C SER A 22 0.817 3.823 -5.158 1.00 0.00 C ATOM 314 O SER A 22 1.849 4.208 -5.707 1.00 0.00 O ATOM 315 CB SER A 22 -1.394 2.948 -5.930 1.00 0.00 C ATOM 316 OG SER A 22 -0.725 2.029 -6.775 1.00 0.00 O ATOM 0 H SER A 22 -0.275 4.392 -7.775 1.00 0.00 H new ATOM 0 HA SER A 22 -1.047 4.841 -4.974 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.609 2.476 -4.972 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.352 3.223 -6.372 1.00 0.00 H new ATOM 0 HG SER A 22 -1.369 1.623 -7.391 1.00 0.00 H new ATOM 322 N LEU A 23 0.816 3.058 -4.071 1.00 0.00 N ATOM 323 CA LEU A 23 2.062 2.617 -3.449 1.00 0.00 C ATOM 324 C LEU A 23 2.537 1.303 -4.055 1.00 0.00 C ATOM 325 O LEU A 23 3.516 0.713 -3.599 1.00 0.00 O ATOM 326 CB LEU A 23 1.882 2.459 -1.939 1.00 0.00 C ATOM 327 CG LEU A 23 1.580 3.754 -1.182 1.00 0.00 C ATOM 328 CD1 LEU A 23 2.218 4.945 -1.880 1.00 0.00 C ATOM 329 CD2 LEU A 23 0.078 3.954 -1.048 1.00 0.00 C ATOM 0 H LEU A 23 -0.029 2.731 -3.603 1.00 0.00 H new ATOM 0 HA LEU A 23 2.818 3.379 -3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.072 1.753 -1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.788 2.017 -1.525 1.00 0.00 H new ATOM 0 HG LEU A 23 2.008 3.675 -0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.991 5.856 -1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.298 4.806 -1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.822 5.028 -2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.119 4.880 -0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.371 4.010 -2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.353 3.115 -0.501 1.00 0.00 H new ATOM 341 N MET A 24 1.847 0.860 -5.098 1.00 0.00 N ATOM 342 CA MET A 24 2.206 -0.372 -5.783 1.00 0.00 C ATOM 343 C MET A 24 3.041 -0.039 -7.009 1.00 0.00 C ATOM 344 O MET A 24 3.940 -0.789 -7.391 1.00 0.00 O ATOM 345 CB MET A 24 0.940 -1.156 -6.170 1.00 0.00 C ATOM 346 CG MET A 24 0.957 -1.729 -7.582 1.00 0.00 C ATOM 347 SD MET A 24 2.278 -2.931 -7.832 1.00 0.00 S ATOM 348 CE MET A 24 2.892 -2.429 -9.438 1.00 0.00 C ATOM 0 H MET A 24 1.034 1.338 -5.488 1.00 0.00 H new ATOM 0 HA MET A 24 2.796 -1.003 -5.118 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.804 -1.973 -5.462 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.076 -0.499 -6.069 1.00 0.00 H new ATOM 0 HG2 MET A 24 -0.003 -2.202 -7.789 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.072 -0.915 -8.298 1.00 0.00 H new ATOM 0 HE1 MET A 24 3.820 -2.958 -9.654 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.152 -2.669 -10.202 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.078 -1.355 -9.437 1.00 0.00 H new ATOM 358 N GLU A 25 2.734 1.102 -7.616 1.00 0.00 N ATOM 359 CA GLU A 25 3.453 1.552 -8.797 1.00 0.00 C ATOM 360 C GLU A 25 4.726 2.269 -8.417 1.00 0.00 C ATOM 361 O GLU A 25 5.753 2.074 -9.067 1.00 0.00 O ATOM 362 CB GLU A 25 2.568 2.450 -9.661 1.00 0.00 C ATOM 363 CG GLU A 25 1.114 2.011 -9.704 1.00 0.00 C ATOM 364 CD GLU A 25 0.405 2.462 -10.966 1.00 0.00 C ATOM 365 OE1 GLU A 25 0.234 3.686 -11.146 1.00 0.00 O ATOM 366 OE2 GLU A 25 0.019 1.591 -11.774 1.00 0.00 O ATOM 0 H GLU A 25 1.992 1.730 -7.308 1.00 0.00 H new ATOM 0 HA GLU A 25 3.722 0.671 -9.380 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.620 3.470 -9.281 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.964 2.467 -10.676 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.064 0.924 -9.632 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.592 2.412 -8.835 1.00 0.00 H new ATOM 373 N VAL A 26 4.704 3.073 -7.358 1.00 0.00 N ATOM 374 CA VAL A 26 5.934 3.729 -6.975 1.00 0.00 C ATOM 375 C VAL A 26 7.011 2.671 -6.908 1.00 0.00 C ATOM 376 O VAL A 26 8.032 2.738 -7.580 1.00 0.00 O ATOM 377 CB VAL A 26 5.905 4.449 -5.621 1.00 0.00 C ATOM 378 CG1 VAL A 26 6.689 5.714 -5.757 1.00 0.00 C ATOM 379 CG2 VAL A 26 4.524 4.767 -5.141 1.00 0.00 C ATOM 0 H VAL A 26 3.889 3.275 -6.780 1.00 0.00 H new ATOM 0 HA VAL A 26 6.111 4.502 -7.723 1.00 0.00 H new ATOM 0 HB VAL A 26 6.337 3.778 -4.878 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.686 6.248 -4.807 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.716 5.478 -6.037 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.238 6.340 -6.527 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.581 5.275 -4.178 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.028 5.414 -5.864 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.956 3.844 -5.030 1.00 0.00 H new ATOM 389 N ALA A 27 6.728 1.683 -6.085 1.00 0.00 N ATOM 390 CA ALA A 27 7.618 0.554 -5.872 1.00 0.00 C ATOM 391 C ALA A 27 8.484 0.263 -7.081 1.00 0.00 C ATOM 392 O ALA A 27 9.681 0.547 -7.089 1.00 0.00 O ATOM 393 CB ALA A 27 6.826 -0.701 -5.544 1.00 0.00 C ATOM 0 H ALA A 27 5.867 1.638 -5.539 1.00 0.00 H new ATOM 0 HA ALA A 27 8.262 0.830 -5.037 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.512 -1.534 -5.388 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.243 -0.537 -4.638 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.154 -0.934 -6.370 1.00 0.00 H new ATOM 399 N THR A 28 7.869 -0.329 -8.092 1.00 0.00 N ATOM 400 CA THR A 28 8.588 -0.691 -9.300 1.00 0.00 C ATOM 401 C THR A 28 9.430 0.484 -9.767 1.00 0.00 C ATOM 402 O THR A 28 10.496 0.305 -10.356 1.00 0.00 O ATOM 403 CB THR A 28 7.629 -1.138 -10.408 1.00 0.00 C ATOM 404 OG1 THR A 28 7.433 -0.103 -11.354 1.00 0.00 O ATOM 405 CG2 THR A 28 6.264 -1.567 -9.911 1.00 0.00 C ATOM 0 H THR A 28 6.877 -0.568 -8.099 1.00 0.00 H new ATOM 0 HA THR A 28 9.241 -1.533 -9.071 1.00 0.00 H new ATOM 0 HB THR A 28 8.114 -2.005 -10.857 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.819 -0.411 -12.053 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.647 -1.868 -10.757 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.374 -2.407 -9.225 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.788 -0.735 -9.392 1.00 0.00 H new ATOM 413 N GLN A 29 8.958 1.690 -9.476 1.00 0.00 N ATOM 414 CA GLN A 29 9.691 2.896 -9.842 1.00 0.00 C ATOM 415 C GLN A 29 10.840 3.145 -8.866 1.00 0.00 C ATOM 416 O GLN A 29 11.880 3.688 -9.237 1.00 0.00 O ATOM 417 CB GLN A 29 8.759 4.110 -9.887 1.00 0.00 C ATOM 418 CG GLN A 29 7.559 3.922 -10.801 1.00 0.00 C ATOM 419 CD GLN A 29 7.271 5.150 -11.643 1.00 0.00 C ATOM 420 OE1 GLN A 29 8.150 5.982 -11.871 1.00 0.00 O ATOM 421 NE2 GLN A 29 6.034 5.270 -12.110 1.00 0.00 N ATOM 0 H GLN A 29 8.077 1.859 -8.991 1.00 0.00 H new ATOM 0 HA GLN A 29 10.107 2.747 -10.838 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.407 4.325 -8.878 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.325 4.980 -10.219 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.736 3.069 -11.457 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.682 3.684 -10.199 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.337 4.557 -11.897 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.781 6.075 -12.682 1.00 0.00 H new ATOM 430 N ASN A 30 10.635 2.744 -7.616 1.00 0.00 N ATOM 431 CA ASN A 30 11.644 2.918 -6.568 1.00 0.00 C ATOM 432 C ASN A 30 12.595 1.725 -6.511 1.00 0.00 C ATOM 433 O ASN A 30 13.431 1.631 -5.612 1.00 0.00 O ATOM 434 CB ASN A 30 10.959 3.072 -5.206 1.00 0.00 C ATOM 435 CG ASN A 30 9.484 3.390 -5.349 1.00 0.00 C ATOM 436 OD1 ASN A 30 9.098 4.125 -6.251 1.00 0.00 O ATOM 437 ND2 ASN A 30 8.660 2.864 -4.455 1.00 0.00 N ATOM 0 H ASN A 30 9.776 2.294 -7.299 1.00 0.00 H new ATOM 0 HA ASN A 30 12.218 3.814 -6.804 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.078 2.152 -4.633 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.448 3.865 -4.641 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.661 3.066 -4.501 1.00 0.00 H new ATOM 0 HD22 ASN A 30 9.024 2.257 -3.721 1.00 0.00 H new ATOM 444 N GLY A 31 12.443 0.801 -7.452 1.00 0.00 N ATOM 445 CA GLY A 31 13.279 -0.387 -7.462 1.00 0.00 C ATOM 446 C GLY A 31 12.794 -1.413 -6.453 1.00 0.00 C ATOM 447 O GLY A 31 13.346 -2.506 -6.339 1.00 0.00 O ATOM 0 H GLY A 31 11.758 0.852 -8.207 1.00 0.00 H new ATOM 0 HA2 GLY A 31 13.278 -0.826 -8.460 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.309 -0.111 -7.236 1.00 0.00 H new ATOM 451 N VAL A 32 11.747 -1.037 -5.724 1.00 0.00 N ATOM 452 CA VAL A 32 11.139 -1.882 -4.711 1.00 0.00 C ATOM 453 C VAL A 32 10.833 -3.270 -5.246 1.00 0.00 C ATOM 454 O VAL A 32 10.487 -3.441 -6.415 1.00 0.00 O ATOM 455 CB VAL A 32 9.836 -1.226 -4.225 1.00 0.00 C ATOM 456 CG1 VAL A 32 9.279 -1.845 -2.965 1.00 0.00 C ATOM 457 CG2 VAL A 32 10.049 0.248 -4.004 1.00 0.00 C ATOM 0 H VAL A 32 11.295 -0.128 -5.824 1.00 0.00 H new ATOM 0 HA VAL A 32 11.846 -1.988 -3.888 1.00 0.00 H new ATOM 0 HB VAL A 32 9.102 -1.395 -5.013 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.360 -1.331 -2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 32 9.066 -2.899 -3.141 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.009 -1.752 -2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.120 0.702 -3.660 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.825 0.395 -3.252 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.357 0.715 -4.939 1.00 0.00 H new ATOM 467 N PRO A 33 10.959 -4.278 -4.378 1.00 0.00 N ATOM 468 CA PRO A 33 10.704 -5.669 -4.704 1.00 0.00 C ATOM 469 C PRO A 33 9.619 -5.827 -5.760 1.00 0.00 C ATOM 470 O PRO A 33 9.635 -6.773 -6.548 1.00 0.00 O ATOM 471 CB PRO A 33 10.261 -6.261 -3.354 1.00 0.00 C ATOM 472 CG PRO A 33 10.648 -5.253 -2.300 1.00 0.00 C ATOM 473 CD PRO A 33 11.373 -4.139 -2.992 1.00 0.00 C ATOM 0 HA PRO A 33 11.574 -6.165 -5.134 1.00 0.00 H new ATOM 0 HB2 PRO A 33 9.186 -6.441 -3.343 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.747 -7.220 -3.172 1.00 0.00 H new ATOM 0 HG2 PRO A 33 9.764 -4.875 -1.787 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.283 -5.713 -1.543 1.00 0.00 H new ATOM 0 HD2 PRO A 33 11.097 -3.166 -2.586 1.00 0.00 H new ATOM 0 HD3 PRO A 33 12.453 -4.234 -2.884 1.00 0.00 H new ATOM 481 N GLY A 34 8.684 -4.893 -5.771 1.00 0.00 N ATOM 482 CA GLY A 34 7.601 -4.933 -6.734 1.00 0.00 C ATOM 483 C GLY A 34 6.847 -6.239 -6.676 1.00 0.00 C ATOM 484 O GLY A 34 6.248 -6.670 -7.661 1.00 0.00 O ATOM 0 H GLY A 34 8.654 -4.102 -5.127 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.914 -4.108 -6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.001 -4.789 -7.737 1.00 0.00 H new ATOM 488 N ILE A 35 6.882 -6.870 -5.511 1.00 0.00 N ATOM 489 CA ILE A 35 6.201 -8.141 -5.311 1.00 0.00 C ATOM 490 C ILE A 35 4.690 -7.948 -5.253 1.00 0.00 C ATOM 491 O ILE A 35 4.043 -8.315 -4.272 1.00 0.00 O ATOM 492 CB ILE A 35 6.673 -8.834 -4.020 1.00 0.00 C ATOM 493 CG1 ILE A 35 8.165 -9.167 -4.108 1.00 0.00 C ATOM 494 CG2 ILE A 35 5.858 -10.092 -3.764 1.00 0.00 C ATOM 495 CD1 ILE A 35 8.502 -10.149 -5.209 1.00 0.00 C ATOM 0 H ILE A 35 7.375 -6.522 -4.689 1.00 0.00 H new ATOM 0 HA ILE A 35 6.451 -8.774 -6.163 1.00 0.00 H new ATOM 0 HB ILE A 35 6.522 -8.151 -3.184 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.725 -8.246 -4.270 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.494 -9.577 -3.153 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.205 -10.570 -2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.805 -9.829 -3.660 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.979 -10.780 -4.600 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.575 -10.338 -5.212 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.969 -11.084 -5.038 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.204 -9.733 -6.171 1.00 0.00 H new ATOM 507 N VAL A 36 4.134 -7.362 -6.310 1.00 0.00 N ATOM 508 CA VAL A 36 2.699 -7.111 -6.382 1.00 0.00 C ATOM 509 C VAL A 36 2.235 -6.994 -7.830 1.00 0.00 C ATOM 510 O VAL A 36 2.970 -7.333 -8.757 1.00 0.00 O ATOM 511 CB VAL A 36 2.310 -5.822 -5.626 1.00 0.00 C ATOM 512 CG1 VAL A 36 1.528 -6.156 -4.366 1.00 0.00 C ATOM 513 CG2 VAL A 36 3.546 -4.996 -5.290 1.00 0.00 C ATOM 0 H VAL A 36 4.657 -7.052 -7.129 1.00 0.00 H new ATOM 0 HA VAL A 36 2.207 -7.961 -5.910 1.00 0.00 H new ATOM 0 HB VAL A 36 1.672 -5.225 -6.278 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.263 -5.235 -3.847 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.620 -6.696 -4.634 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.140 -6.777 -3.712 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.247 -4.093 -4.758 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.216 -5.583 -4.661 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.061 -4.721 -6.210 1.00 0.00 H new ATOM 523 N ALA A 37 1.008 -6.516 -8.019 1.00 0.00 N ATOM 524 CA ALA A 37 0.446 -6.356 -9.355 1.00 0.00 C ATOM 525 C ALA A 37 0.183 -7.709 -10.005 1.00 0.00 C ATOM 526 O ALA A 37 0.797 -8.055 -11.013 1.00 0.00 O ATOM 527 CB ALA A 37 1.377 -5.524 -10.222 1.00 0.00 C ATOM 0 H ALA A 37 0.385 -6.233 -7.263 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.507 -5.836 -9.262 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.945 -5.412 -11.217 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.511 -4.540 -9.772 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.344 -6.022 -10.300 1.00 0.00 H new ATOM 533 N GLU A 38 -0.734 -8.472 -9.418 1.00 0.00 N ATOM 534 CA GLU A 38 -1.078 -9.790 -9.938 1.00 0.00 C ATOM 535 C GLU A 38 -2.203 -9.698 -10.965 1.00 0.00 C ATOM 536 O GLU A 38 -2.419 -10.622 -11.748 1.00 0.00 O ATOM 537 CB GLU A 38 -1.490 -10.719 -8.794 1.00 0.00 C ATOM 538 CG GLU A 38 -1.953 -12.089 -9.262 1.00 0.00 C ATOM 539 CD GLU A 38 -1.059 -12.668 -10.340 1.00 0.00 C ATOM 540 OE1 GLU A 38 0.170 -12.723 -10.126 1.00 0.00 O ATOM 541 OE2 GLU A 38 -1.589 -13.067 -11.399 1.00 0.00 O ATOM 0 H GLU A 38 -1.252 -8.200 -8.582 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.196 -10.199 -10.432 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.647 -10.842 -8.115 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.292 -10.248 -8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.979 -12.770 -8.411 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.972 -12.014 -9.641 1.00 0.00 H new ATOM 548 N CYS A 39 -2.919 -8.577 -10.955 1.00 0.00 N ATOM 549 CA CYS A 39 -4.022 -8.368 -11.887 1.00 0.00 C ATOM 550 C CYS A 39 -3.780 -7.141 -12.759 1.00 0.00 C ATOM 551 O CYS A 39 -4.231 -7.080 -13.903 1.00 0.00 O ATOM 552 CB CYS A 39 -5.342 -8.214 -11.128 1.00 0.00 C ATOM 553 SG CYS A 39 -5.505 -6.639 -10.226 1.00 0.00 S ATOM 0 H CYS A 39 -2.755 -7.801 -10.313 1.00 0.00 H new ATOM 0 HA CYS A 39 -4.082 -9.244 -12.533 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.167 -8.302 -11.835 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.439 -9.037 -10.420 1.00 0.00 H new ATOM 0 HG CYS A 39 -6.252 -6.815 -9.177 1.00 0.00 H new ATOM 558 N GLY A 40 -3.064 -6.163 -12.214 1.00 0.00 N ATOM 559 CA GLY A 40 -2.777 -4.952 -12.961 1.00 0.00 C ATOM 560 C GLY A 40 -3.719 -3.817 -12.609 1.00 0.00 C ATOM 561 O GLY A 40 -4.429 -3.300 -13.472 1.00 0.00 O ATOM 0 H GLY A 40 -2.678 -6.187 -11.270 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.751 -4.642 -12.765 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.848 -5.162 -14.028 1.00 0.00 H new ATOM 565 N GLY A 41 -3.724 -3.427 -11.338 1.00 0.00 N ATOM 566 CA GLY A 41 -4.587 -2.348 -10.896 1.00 0.00 C ATOM 567 C GLY A 41 -5.958 -2.396 -11.542 1.00 0.00 C ATOM 568 O GLY A 41 -6.422 -1.403 -12.103 1.00 0.00 O ATOM 0 H GLY A 41 -3.145 -3.840 -10.606 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.698 -2.397 -9.813 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.115 -1.393 -11.125 1.00 0.00 H new ATOM 572 N SER A 42 -6.610 -3.551 -11.460 1.00 0.00 N ATOM 573 CA SER A 42 -7.938 -3.721 -12.039 1.00 0.00 C ATOM 574 C SER A 42 -8.965 -4.056 -10.961 1.00 0.00 C ATOM 575 O SER A 42 -10.153 -4.205 -11.249 1.00 0.00 O ATOM 576 CB SER A 42 -7.920 -4.822 -13.100 1.00 0.00 C ATOM 577 OG SER A 42 -8.615 -4.417 -14.267 1.00 0.00 O ATOM 0 H SER A 42 -6.241 -4.383 -10.999 1.00 0.00 H new ATOM 0 HA SER A 42 -8.223 -2.779 -12.508 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.889 -5.070 -13.354 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.375 -5.727 -12.697 1.00 0.00 H new ATOM 0 HG SER A 42 -8.588 -5.138 -14.931 1.00 0.00 H new ATOM 583 N CYS A 43 -8.501 -4.175 -9.721 1.00 0.00 N ATOM 584 CA CYS A 43 -9.382 -4.494 -8.605 1.00 0.00 C ATOM 585 C CYS A 43 -10.076 -5.832 -8.826 1.00 0.00 C ATOM 586 O CYS A 43 -11.299 -5.932 -8.738 1.00 0.00 O ATOM 587 CB CYS A 43 -10.423 -3.390 -8.418 1.00 0.00 C ATOM 588 SG CYS A 43 -10.685 -2.910 -6.694 1.00 0.00 S ATOM 0 H CYS A 43 -7.521 -4.055 -9.465 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.774 -4.566 -7.703 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.113 -2.513 -8.986 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -11.371 -3.724 -8.840 1.00 0.00 H new ATOM 0 HG CYS A 43 -11.581 -1.969 -6.637 1.00 0.00 H new ATOM 594 N VAL A 44 -9.285 -6.858 -9.119 1.00 0.00 N ATOM 595 CA VAL A 44 -9.824 -8.191 -9.358 1.00 0.00 C ATOM 596 C VAL A 44 -9.048 -9.251 -8.580 1.00 0.00 C ATOM 597 O VAL A 44 -9.361 -10.439 -8.656 1.00 0.00 O ATOM 598 CB VAL A 44 -9.792 -8.543 -10.857 1.00 0.00 C ATOM 599 CG1 VAL A 44 -8.379 -8.900 -11.290 1.00 0.00 C ATOM 600 CG2 VAL A 44 -10.755 -9.682 -11.161 1.00 0.00 C ATOM 0 H VAL A 44 -8.270 -6.792 -9.197 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.858 -8.181 -9.013 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.112 -7.668 -11.424 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.375 -9.146 -12.352 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.718 -8.051 -11.112 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.029 -9.759 -10.717 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.718 -9.916 -12.225 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.470 -10.563 -10.586 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.768 -9.384 -10.890 1.00 0.00 H new ATOM 610 N CYS A 45 -8.037 -8.818 -7.830 1.00 0.00 N ATOM 611 CA CYS A 45 -7.227 -9.741 -7.042 1.00 0.00 C ATOM 612 C CYS A 45 -6.939 -9.178 -5.653 1.00 0.00 C ATOM 613 O CYS A 45 -7.225 -8.015 -5.370 1.00 0.00 O ATOM 614 CB CYS A 45 -5.911 -10.055 -7.765 1.00 0.00 C ATOM 615 SG CYS A 45 -4.519 -8.953 -7.338 1.00 0.00 S ATOM 0 H CYS A 45 -7.761 -7.839 -7.752 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.796 -10.663 -6.925 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.625 -11.082 -7.539 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.082 -10.001 -8.840 1.00 0.00 H new ATOM 0 HG CYS A 45 -4.495 -7.946 -8.160 1.00 0.00 H new ATOM 620 N ALA A 46 -6.365 -10.015 -4.794 1.00 0.00 N ATOM 621 CA ALA A 46 -6.030 -9.608 -3.435 1.00 0.00 C ATOM 622 C ALA A 46 -4.592 -9.987 -3.091 1.00 0.00 C ATOM 623 O ALA A 46 -4.170 -9.875 -1.941 1.00 0.00 O ATOM 624 CB ALA A 46 -6.997 -10.238 -2.443 1.00 0.00 C ATOM 0 H ALA A 46 -6.122 -10.980 -5.016 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.119 -8.523 -3.372 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.736 -9.926 -1.432 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.013 -9.916 -2.671 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.936 -11.324 -2.515 1.00 0.00 H new ATOM 630 N THR A 47 -3.845 -10.435 -4.096 1.00 0.00 N ATOM 631 CA THR A 47 -2.454 -10.831 -3.901 1.00 0.00 C ATOM 632 C THR A 47 -1.583 -9.618 -3.588 1.00 0.00 C ATOM 633 O THR A 47 -0.438 -9.758 -3.158 1.00 0.00 O ATOM 634 CB THR A 47 -1.928 -11.543 -5.147 1.00 0.00 C ATOM 635 OG1 THR A 47 -2.580 -12.789 -5.325 1.00 0.00 O ATOM 636 CG2 THR A 47 -0.437 -11.807 -5.104 1.00 0.00 C ATOM 0 H THR A 47 -4.180 -10.533 -5.054 1.00 0.00 H new ATOM 0 HA THR A 47 -2.411 -11.515 -3.054 1.00 0.00 H new ATOM 0 HB THR A 47 -2.136 -10.865 -5.975 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.231 -13.229 -6.128 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.131 -12.314 -6.019 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.098 -10.861 -5.017 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.203 -12.436 -4.245 1.00 0.00 H new ATOM 644 N CYS A 48 -2.135 -8.430 -3.804 1.00 0.00 N ATOM 645 CA CYS A 48 -1.412 -7.192 -3.544 1.00 0.00 C ATOM 646 C CYS A 48 -1.584 -6.761 -2.093 1.00 0.00 C ATOM 647 O CYS A 48 -1.827 -5.588 -1.808 1.00 0.00 O ATOM 648 CB CYS A 48 -1.903 -6.086 -4.477 1.00 0.00 C ATOM 649 SG CYS A 48 -3.711 -5.863 -4.471 1.00 0.00 S ATOM 0 H CYS A 48 -3.082 -8.298 -4.159 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.353 -7.371 -3.730 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.430 -5.147 -4.191 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.578 -6.310 -5.493 1.00 0.00 H new ATOM 0 HG CYS A 48 -4.028 -4.867 -5.244 1.00 0.00 H new ATOM 654 N ARG A 49 -1.464 -7.717 -1.180 1.00 0.00 N ATOM 655 CA ARG A 49 -1.612 -7.435 0.241 1.00 0.00 C ATOM 656 C ARG A 49 -0.522 -6.487 0.730 1.00 0.00 C ATOM 657 O ARG A 49 0.448 -6.910 1.358 1.00 0.00 O ATOM 658 CB ARG A 49 -1.576 -8.733 1.050 1.00 0.00 C ATOM 659 CG ARG A 49 -2.900 -9.071 1.716 1.00 0.00 C ATOM 660 CD ARG A 49 -2.952 -8.557 3.147 1.00 0.00 C ATOM 661 NE ARG A 49 -3.023 -9.646 4.117 1.00 0.00 N ATOM 662 CZ ARG A 49 -4.159 -10.223 4.494 1.00 0.00 C ATOM 663 NH1 ARG A 49 -5.314 -9.816 3.984 1.00 0.00 N ATOM 664 NH2 ARG A 49 -4.141 -11.208 5.381 1.00 0.00 N ATOM 0 H ARG A 49 -1.265 -8.693 -1.399 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.578 -6.951 0.386 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.290 -9.554 0.392 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.804 -8.653 1.815 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.718 -8.636 1.142 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.046 -10.151 1.711 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.069 -7.951 3.347 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.819 -7.907 3.268 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.152 -9.983 4.528 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.331 -9.059 3.301 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.185 -10.260 4.275 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.255 -11.524 5.775 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.014 -11.650 5.670 1.00 0.00 H new ATOM 678 N ILE A 50 -0.695 -5.199 0.447 1.00 0.00 N ATOM 679 CA ILE A 50 0.266 -4.188 0.868 1.00 0.00 C ATOM 680 C ILE A 50 -0.204 -3.526 2.153 1.00 0.00 C ATOM 681 O ILE A 50 -1.357 -3.691 2.552 1.00 0.00 O ATOM 682 CB ILE A 50 0.470 -3.113 -0.215 1.00 0.00 C ATOM 683 CG1 ILE A 50 0.678 -3.770 -1.580 1.00 0.00 C ATOM 684 CG2 ILE A 50 1.653 -2.223 0.141 1.00 0.00 C ATOM 685 CD1 ILE A 50 1.308 -2.853 -2.607 1.00 0.00 C ATOM 0 H ILE A 50 -1.493 -4.832 -0.072 1.00 0.00 H new ATOM 0 HA ILE A 50 1.219 -4.689 1.036 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.424 -2.491 -0.266 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.308 -4.651 -1.457 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.284 -4.117 -1.957 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.786 -1.467 -0.633 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.466 -1.734 1.097 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.556 -2.830 0.215 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.424 -3.388 -3.550 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.668 -1.984 -2.760 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.285 -2.526 -2.252 1.00 0.00 H new ATOM 697 N GLU A 51 0.683 -2.793 2.816 1.00 0.00 N ATOM 698 CA GLU A 51 0.312 -2.145 4.067 1.00 0.00 C ATOM 699 C GLU A 51 0.929 -0.759 4.220 1.00 0.00 C ATOM 700 O GLU A 51 2.149 -0.611 4.274 1.00 0.00 O ATOM 701 CB GLU A 51 0.729 -3.022 5.249 1.00 0.00 C ATOM 702 CG GLU A 51 -0.346 -3.999 5.693 1.00 0.00 C ATOM 703 CD GLU A 51 -0.204 -4.398 7.149 1.00 0.00 C ATOM 704 OE1 GLU A 51 0.803 -4.006 7.776 1.00 0.00 O ATOM 705 OE2 GLU A 51 -1.098 -5.101 7.662 1.00 0.00 O ATOM 0 H GLU A 51 1.645 -2.635 2.516 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.770 -2.018 4.050 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.625 -3.580 4.978 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.995 -2.381 6.090 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.327 -3.550 5.537 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.301 -4.892 5.069 1.00 0.00 H new ATOM 712 N ILE A 52 0.068 0.246 4.342 1.00 0.00 N ATOM 713 CA ILE A 52 0.508 1.618 4.554 1.00 0.00 C ATOM 714 C ILE A 52 1.098 1.707 5.949 1.00 0.00 C ATOM 715 O ILE A 52 0.655 0.980 6.838 1.00 0.00 O ATOM 716 CB ILE A 52 -0.686 2.590 4.442 1.00 0.00 C ATOM 717 CG1 ILE A 52 -1.307 2.493 3.055 1.00 0.00 C ATOM 718 CG2 ILE A 52 -0.264 4.022 4.741 1.00 0.00 C ATOM 719 CD1 ILE A 52 -0.559 3.294 2.023 1.00 0.00 C ATOM 0 H ILE A 52 -0.945 0.133 4.297 1.00 0.00 H new ATOM 0 HA ILE A 52 1.246 1.891 3.800 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.430 2.304 5.185 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.335 1.448 2.747 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.339 2.840 3.099 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.127 4.682 4.654 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.136 4.080 5.753 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.502 4.331 4.030 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.048 3.186 1.055 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.553 4.345 2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.467 2.931 1.954 1.00 0.00 H new ATOM 731 N GLU A 53 2.083 2.570 6.187 1.00 0.00 N ATOM 732 CA GLU A 53 2.623 2.626 7.547 1.00 0.00 C ATOM 733 C GLU A 53 1.468 2.884 8.523 1.00 0.00 C ATOM 734 O GLU A 53 0.318 2.985 8.102 1.00 0.00 O ATOM 735 CB GLU A 53 3.699 3.694 7.678 1.00 0.00 C ATOM 736 CG GLU A 53 3.124 5.070 7.639 1.00 0.00 C ATOM 737 CD GLU A 53 2.038 5.189 6.587 1.00 0.00 C ATOM 738 OE1 GLU A 53 0.911 4.740 6.853 1.00 0.00 O ATOM 739 OE2 GLU A 53 2.305 5.772 5.517 1.00 0.00 O ATOM 0 H GLU A 53 2.503 3.203 5.507 1.00 0.00 H new ATOM 0 HA GLU A 53 3.098 1.674 7.783 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.239 3.553 8.614 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.424 3.580 6.872 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.714 5.322 8.617 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.915 5.790 7.430 1.00 0.00 H new ATOM 746 N ASP A 54 1.747 2.967 9.818 1.00 0.00 N ATOM 747 CA ASP A 54 0.678 3.203 10.795 1.00 0.00 C ATOM 748 C ASP A 54 0.512 4.685 11.107 1.00 0.00 C ATOM 749 O ASP A 54 -0.006 5.059 12.159 1.00 0.00 O ATOM 750 CB ASP A 54 0.931 2.412 12.080 1.00 0.00 C ATOM 751 CG ASP A 54 1.321 0.973 11.807 1.00 0.00 C ATOM 752 OD1 ASP A 54 0.771 0.379 10.855 1.00 0.00 O ATOM 753 OD2 ASP A 54 2.175 0.439 12.544 1.00 0.00 O ATOM 0 H ASP A 54 2.682 2.877 10.216 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.252 2.854 10.346 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.722 2.897 12.652 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.033 2.431 12.698 1.00 0.00 H new ATOM 758 N ALA A 55 0.947 5.514 10.180 1.00 0.00 N ATOM 759 CA ALA A 55 0.852 6.958 10.317 1.00 0.00 C ATOM 760 C ALA A 55 -0.085 7.531 9.280 1.00 0.00 C ATOM 761 O ALA A 55 -0.689 8.585 9.473 1.00 0.00 O ATOM 762 CB ALA A 55 2.226 7.590 10.145 1.00 0.00 C ATOM 0 H ALA A 55 1.378 5.207 9.308 1.00 0.00 H new ATOM 0 HA ALA A 55 0.465 7.179 11.312 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.144 8.672 10.249 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.903 7.202 10.906 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.616 7.349 9.156 1.00 0.00 H new ATOM 768 N TRP A 56 -0.128 6.858 8.143 1.00 0.00 N ATOM 769 CA TRP A 56 -0.905 7.320 7.015 1.00 0.00 C ATOM 770 C TRP A 56 -2.138 6.520 6.730 1.00 0.00 C ATOM 771 O TRP A 56 -2.835 6.804 5.768 1.00 0.00 O ATOM 772 CB TRP A 56 -0.025 7.293 5.804 1.00 0.00 C ATOM 773 CG TRP A 56 1.180 8.107 6.032 1.00 0.00 C ATOM 774 CD1 TRP A 56 2.152 7.861 6.955 1.00 0.00 C ATOM 775 CD2 TRP A 56 1.532 9.314 5.378 1.00 0.00 C ATOM 776 NE1 TRP A 56 3.104 8.813 6.901 1.00 0.00 N ATOM 777 CE2 TRP A 56 2.760 9.720 5.945 1.00 0.00 C ATOM 778 CE3 TRP A 56 0.952 10.096 4.354 1.00 0.00 C ATOM 779 CZ2 TRP A 56 3.417 10.854 5.544 1.00 0.00 C ATOM 780 CZ3 TRP A 56 1.630 11.234 3.956 1.00 0.00 C ATOM 781 CH2 TRP A 56 2.850 11.596 4.550 1.00 0.00 C ATOM 0 H TRP A 56 0.372 5.984 7.980 1.00 0.00 H new ATOM 0 HA TRP A 56 -1.252 8.322 7.267 1.00 0.00 H new ATOM 0 HB2 TRP A 56 0.259 6.266 5.575 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -0.571 7.673 4.940 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.158 7.021 7.634 1.00 0.00 H new ATOM 0 HE1 TRP A 56 3.943 8.849 7.480 1.00 0.00 H new ATOM 0 HE3 TRP A 56 0.014 9.815 3.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 4.351 11.150 5.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.214 11.854 3.176 1.00 0.00 H new ATOM 0 HH2 TRP A 56 3.354 12.488 4.210 1.00 0.00 H new ATOM 792 N VAL A 57 -2.442 5.548 7.535 1.00 0.00 N ATOM 793 CA VAL A 57 -3.633 4.799 7.282 1.00 0.00 C ATOM 794 C VAL A 57 -4.820 5.712 7.441 1.00 0.00 C ATOM 795 O VAL A 57 -5.779 5.664 6.672 1.00 0.00 O ATOM 796 CB VAL A 57 -3.771 3.642 8.237 1.00 0.00 C ATOM 797 CG1 VAL A 57 -4.987 2.842 7.862 1.00 0.00 C ATOM 798 CG2 VAL A 57 -2.500 2.841 8.195 1.00 0.00 C ATOM 0 H VAL A 57 -1.900 5.261 8.350 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.581 4.399 6.269 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.916 3.977 9.264 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.095 2.002 8.548 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.872 3.476 7.922 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.877 2.468 6.844 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.579 1.997 8.880 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.336 2.472 7.183 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.662 3.472 8.492 1.00 0.00 H new ATOM 808 N GLU A 58 -4.712 6.578 8.435 1.00 0.00 N ATOM 809 CA GLU A 58 -5.745 7.557 8.693 1.00 0.00 C ATOM 810 C GLU A 58 -5.603 8.695 7.692 1.00 0.00 C ATOM 811 O GLU A 58 -6.450 9.585 7.610 1.00 0.00 O ATOM 812 CB GLU A 58 -5.654 8.088 10.125 1.00 0.00 C ATOM 813 CG GLU A 58 -5.700 6.999 11.184 1.00 0.00 C ATOM 814 CD GLU A 58 -7.054 6.903 11.862 1.00 0.00 C ATOM 815 OE1 GLU A 58 -7.955 6.248 11.298 1.00 0.00 O ATOM 816 OE2 GLU A 58 -7.211 7.482 12.958 1.00 0.00 O ATOM 0 H GLU A 58 -3.918 6.620 9.074 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.722 7.086 8.580 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.728 8.652 10.236 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.474 8.785 10.297 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.459 6.040 10.725 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.935 7.195 11.935 1.00 0.00 H new ATOM 823 N ILE A 59 -4.527 8.630 6.908 1.00 0.00 N ATOM 824 CA ILE A 59 -4.261 9.625 5.873 1.00 0.00 C ATOM 825 C ILE A 59 -4.701 9.070 4.537 1.00 0.00 C ATOM 826 O ILE A 59 -5.254 9.770 3.688 1.00 0.00 O ATOM 827 CB ILE A 59 -2.759 9.971 5.776 1.00 0.00 C ATOM 828 CG1 ILE A 59 -2.380 10.981 6.845 1.00 0.00 C ATOM 829 CG2 ILE A 59 -2.400 10.520 4.398 1.00 0.00 C ATOM 830 CD1 ILE A 59 -0.987 10.786 7.377 1.00 0.00 C ATOM 0 H ILE A 59 -3.823 7.894 6.972 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.809 10.530 6.134 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.198 9.050 5.933 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.467 11.986 6.433 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.090 10.912 7.669 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.336 10.753 4.365 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.632 9.774 3.638 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.976 11.425 4.206 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.779 11.539 8.137 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.902 9.793 7.818 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.269 10.884 6.562 1.00 0.00 H new ATOM 842 N VAL A 60 -4.418 7.792 4.376 1.00 0.00 N ATOM 843 CA VAL A 60 -4.731 7.067 3.173 1.00 0.00 C ATOM 844 C VAL A 60 -6.114 6.426 3.289 1.00 0.00 C ATOM 845 O VAL A 60 -7.107 7.016 2.865 1.00 0.00 O ATOM 846 CB VAL A 60 -3.647 6.001 2.914 1.00 0.00 C ATOM 847 CG1 VAL A 60 -3.948 5.210 1.648 1.00 0.00 C ATOM 848 CG2 VAL A 60 -2.257 6.653 2.852 1.00 0.00 C ATOM 0 H VAL A 60 -3.958 7.226 5.090 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.749 7.756 2.328 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.652 5.297 3.746 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.168 4.466 1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.911 4.710 1.752 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.981 5.888 0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.504 5.887 2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.234 7.385 2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.046 7.150 3.799 1.00 0.00 H new ATOM 858 N GLY A 61 -6.166 5.234 3.898 1.00 0.00 N ATOM 859 CA GLY A 61 -7.429 4.527 4.102 1.00 0.00 C ATOM 860 C GLY A 61 -8.555 5.021 3.213 1.00 0.00 C ATOM 861 O GLY A 61 -9.644 5.330 3.697 1.00 0.00 O ATOM 0 H GLY A 61 -5.347 4.743 4.256 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.274 3.464 3.919 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.729 4.631 5.145 1.00 0.00 H new ATOM 865 N GLU A 62 -8.292 5.111 1.916 1.00 0.00 N ATOM 866 CA GLU A 62 -9.292 5.588 0.967 1.00 0.00 C ATOM 867 C GLU A 62 -10.317 4.513 0.639 1.00 0.00 C ATOM 868 O GLU A 62 -11.398 4.808 0.128 1.00 0.00 O ATOM 869 CB GLU A 62 -8.614 6.050 -0.319 1.00 0.00 C ATOM 870 CG GLU A 62 -7.696 7.245 -0.129 1.00 0.00 C ATOM 871 CD GLU A 62 -7.877 8.295 -1.208 1.00 0.00 C ATOM 872 OE1 GLU A 62 -7.378 8.084 -2.333 1.00 0.00 O ATOM 873 OE2 GLU A 62 -8.518 9.331 -0.926 1.00 0.00 O ATOM 0 H GLU A 62 -7.397 4.861 1.496 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.814 6.424 1.434 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.038 5.223 -0.733 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.380 6.304 -1.052 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.887 7.694 0.846 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.660 6.906 -0.127 1.00 0.00 H new ATOM 880 N ALA A 63 -9.969 3.270 0.918 1.00 0.00 N ATOM 881 CA ALA A 63 -10.861 2.152 0.631 1.00 0.00 C ATOM 882 C ALA A 63 -12.264 2.394 1.153 1.00 0.00 C ATOM 883 O ALA A 63 -12.468 3.117 2.128 1.00 0.00 O ATOM 884 CB ALA A 63 -10.353 0.858 1.232 1.00 0.00 C ATOM 0 H ALA A 63 -9.079 3.006 1.341 1.00 0.00 H new ATOM 0 HA ALA A 63 -10.886 2.069 -0.456 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.046 0.050 0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.371 0.626 0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.276 0.965 2.314 1.00 0.00 H new ATOM 890 N ASN A 64 -13.217 1.730 0.524 1.00 0.00 N ATOM 891 CA ASN A 64 -14.588 1.791 0.923 1.00 0.00 C ATOM 892 C ASN A 64 -14.833 0.670 1.916 1.00 0.00 C ATOM 893 O ASN A 64 -13.990 -0.208 2.100 1.00 0.00 O ATOM 894 CB ASN A 64 -15.525 1.641 -0.293 1.00 0.00 C ATOM 895 CG ASN A 64 -14.875 1.003 -1.514 1.00 0.00 C ATOM 896 OD1 ASN A 64 -13.677 0.722 -1.537 1.00 0.00 O ATOM 897 ND2 ASN A 64 -15.679 0.765 -2.544 1.00 0.00 N ATOM 0 H ASN A 64 -13.047 1.131 -0.284 1.00 0.00 H new ATOM 0 HA ASN A 64 -14.798 2.759 1.378 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -16.387 1.041 -0.000 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -15.901 2.626 -0.570 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -15.308 0.335 -3.392 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -16.667 1.012 -2.487 1.00 0.00 H new ATOM 904 N PRO A 65 -15.993 0.673 2.552 1.00 0.00 N ATOM 905 CA PRO A 65 -16.378 -0.355 3.523 1.00 0.00 C ATOM 906 C PRO A 65 -16.398 -1.764 2.917 1.00 0.00 C ATOM 907 O PRO A 65 -16.697 -2.735 3.612 1.00 0.00 O ATOM 908 CB PRO A 65 -17.793 0.067 3.945 1.00 0.00 C ATOM 909 CG PRO A 65 -18.260 0.994 2.872 1.00 0.00 C ATOM 910 CD PRO A 65 -17.027 1.683 2.365 1.00 0.00 C ATOM 0 HA PRO A 65 -15.669 -0.416 4.349 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -18.452 -0.797 4.034 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -17.783 0.562 4.916 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.760 0.447 2.072 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -18.979 1.715 3.263 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -17.126 1.971 1.319 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -16.811 2.592 2.927 1.00 0.00 H new ATOM 918 N ASP A 66 -16.079 -1.875 1.624 1.00 0.00 N ATOM 919 CA ASP A 66 -16.063 -3.168 0.949 1.00 0.00 C ATOM 920 C ASP A 66 -14.677 -3.796 1.014 1.00 0.00 C ATOM 921 O ASP A 66 -14.490 -4.856 1.612 1.00 0.00 O ATOM 922 CB ASP A 66 -16.499 -3.010 -0.509 1.00 0.00 C ATOM 923 CG ASP A 66 -17.605 -1.985 -0.673 1.00 0.00 C ATOM 924 OD1 ASP A 66 -18.560 -2.008 0.132 1.00 0.00 O ATOM 925 OD2 ASP A 66 -17.515 -1.159 -1.606 1.00 0.00 O ATOM 0 H ASP A 66 -15.830 -1.085 1.029 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.764 -3.827 1.460 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.641 -2.714 -1.112 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.840 -3.973 -0.890 1.00 0.00 H new ATOM 930 N GLU A 67 -13.707 -3.133 0.392 1.00 0.00 N ATOM 931 CA GLU A 67 -12.334 -3.622 0.376 1.00 0.00 C ATOM 932 C GLU A 67 -11.950 -4.194 1.735 1.00 0.00 C ATOM 933 O GLU A 67 -11.359 -5.271 1.823 1.00 0.00 O ATOM 934 CB GLU A 67 -11.373 -2.496 -0.012 1.00 0.00 C ATOM 935 CG GLU A 67 -11.927 -1.568 -1.081 1.00 0.00 C ATOM 936 CD GLU A 67 -10.842 -0.793 -1.801 1.00 0.00 C ATOM 937 OE1 GLU A 67 -9.798 -0.510 -1.176 1.00 0.00 O ATOM 938 OE2 GLU A 67 -11.035 -0.468 -2.991 1.00 0.00 O ATOM 0 H GLU A 67 -13.847 -2.255 -0.108 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.263 -4.417 -0.366 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.133 -1.912 0.876 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.440 -2.932 -0.369 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.493 -2.153 -1.806 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.625 -0.868 -0.622 1.00 0.00 H new ATOM 945 N ASN A 68 -12.291 -3.469 2.794 1.00 0.00 N ATOM 946 CA ASN A 68 -11.986 -3.907 4.150 1.00 0.00 C ATOM 947 C ASN A 68 -12.896 -5.058 4.563 1.00 0.00 C ATOM 948 O ASN A 68 -12.505 -5.921 5.348 1.00 0.00 O ATOM 949 CB ASN A 68 -12.138 -2.743 5.130 1.00 0.00 C ATOM 950 CG ASN A 68 -11.388 -2.978 6.427 1.00 0.00 C ATOM 951 OD1 ASN A 68 -10.424 -2.278 6.736 1.00 0.00 O ATOM 952 ND2 ASN A 68 -11.829 -3.969 7.193 1.00 0.00 N ATOM 0 H ASN A 68 -12.779 -2.575 2.739 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.954 -4.256 4.171 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.773 -1.828 4.663 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.195 -2.590 5.347 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.365 -4.175 8.077 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.632 -4.524 6.897 1.00 0.00 H new ATOM 959 N ASP A 69 -14.114 -5.063 4.030 1.00 0.00 N ATOM 960 CA ASP A 69 -15.081 -6.108 4.344 1.00 0.00 C ATOM 961 C ASP A 69 -14.760 -7.397 3.593 1.00 0.00 C ATOM 962 O ASP A 69 -14.921 -8.494 4.128 1.00 0.00 O ATOM 963 CB ASP A 69 -16.496 -5.641 4.000 1.00 0.00 C ATOM 964 CG ASP A 69 -17.525 -6.742 4.167 1.00 0.00 C ATOM 965 OD1 ASP A 69 -17.257 -7.694 4.930 1.00 0.00 O ATOM 966 OD2 ASP A 69 -18.599 -6.652 3.535 1.00 0.00 O ATOM 0 H ASP A 69 -14.454 -4.355 3.379 1.00 0.00 H new ATOM 0 HA ASP A 69 -15.022 -6.311 5.413 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -16.763 -4.798 4.638 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -16.517 -5.281 2.971 1.00 0.00 H new ATOM 971 N LEU A 70 -14.309 -7.257 2.350 1.00 0.00 N ATOM 972 CA LEU A 70 -13.968 -8.413 1.527 1.00 0.00 C ATOM 973 C LEU A 70 -12.854 -9.232 2.171 1.00 0.00 C ATOM 974 O LEU A 70 -12.839 -10.459 2.079 1.00 0.00 O ATOM 975 CB LEU A 70 -13.544 -7.964 0.125 1.00 0.00 C ATOM 976 CG LEU A 70 -12.043 -7.739 -0.058 1.00 0.00 C ATOM 977 CD1 LEU A 70 -11.346 -9.044 -0.413 1.00 0.00 C ATOM 978 CD2 LEU A 70 -11.788 -6.689 -1.129 1.00 0.00 C ATOM 0 H LEU A 70 -14.171 -6.356 1.891 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.855 -9.042 1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.874 -8.713 -0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.066 -7.038 -0.117 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.633 -7.376 0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.278 -8.864 -0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.500 -9.768 0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.760 -9.437 -1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.714 -6.542 -1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.213 -7.024 -2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.253 -5.748 -0.834 1.00 0.00 H new ATOM 990 N LEU A 71 -11.922 -8.544 2.822 1.00 0.00 N ATOM 991 CA LEU A 71 -10.803 -9.207 3.480 1.00 0.00 C ATOM 992 C LEU A 71 -11.199 -9.696 4.870 1.00 0.00 C ATOM 993 O LEU A 71 -10.739 -10.744 5.324 1.00 0.00 O ATOM 994 CB LEU A 71 -9.609 -8.258 3.584 1.00 0.00 C ATOM 995 CG LEU A 71 -8.872 -7.998 2.270 1.00 0.00 C ATOM 996 CD1 LEU A 71 -8.301 -6.589 2.249 1.00 0.00 C ATOM 997 CD2 LEU A 71 -7.769 -9.026 2.068 1.00 0.00 C ATOM 0 H LEU A 71 -11.920 -7.528 2.908 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.522 -10.070 2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.956 -7.305 3.983 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.901 -8.667 4.305 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.584 -8.091 1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.780 -6.422 1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.111 -5.867 2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.602 -6.467 3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.254 -8.827 1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.058 -8.963 2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.204 -10.025 2.039 1.00 0.00 H new ATOM 1009 N GLN A 72 -12.052 -8.928 5.540 1.00 0.00 N ATOM 1010 CA GLN A 72 -12.509 -9.281 6.879 1.00 0.00 C ATOM 1011 C GLN A 72 -13.311 -10.579 6.858 1.00 0.00 C ATOM 1012 O GLN A 72 -13.363 -11.303 7.851 1.00 0.00 O ATOM 1013 CB GLN A 72 -13.357 -8.151 7.465 1.00 0.00 C ATOM 1014 CG GLN A 72 -12.560 -7.160 8.299 1.00 0.00 C ATOM 1015 CD GLN A 72 -12.575 -7.496 9.777 1.00 0.00 C ATOM 1016 OE1 GLN A 72 -13.207 -6.807 10.577 1.00 0.00 O ATOM 1017 NE2 GLN A 72 -11.876 -8.563 10.147 1.00 0.00 N ATOM 0 H GLN A 72 -12.441 -8.057 5.178 1.00 0.00 H new ATOM 0 HA GLN A 72 -11.631 -9.430 7.508 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -13.847 -7.616 6.651 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -14.145 -8.582 8.083 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -11.529 -7.140 7.945 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -12.966 -6.159 8.154 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.366 -9.106 9.450 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.849 -8.840 11.128 1.00 0.00 H new ATOM 1026 N SER A 73 -13.936 -10.865 5.720 1.00 0.00 N ATOM 1027 CA SER A 73 -14.736 -12.076 5.571 1.00 0.00 C ATOM 1028 C SER A 73 -13.877 -13.324 5.754 1.00 0.00 C ATOM 1029 O SER A 73 -14.340 -14.336 6.279 1.00 0.00 O ATOM 1030 CB SER A 73 -15.406 -12.104 4.196 1.00 0.00 C ATOM 1031 OG SER A 73 -16.787 -12.403 4.308 1.00 0.00 O ATOM 0 H SER A 73 -13.904 -10.275 4.888 1.00 0.00 H new ATOM 0 HA SER A 73 -15.505 -12.069 6.344 1.00 0.00 H new ATOM 0 HB2 SER A 73 -15.278 -11.139 3.706 1.00 0.00 H new ATOM 0 HB3 SER A 73 -14.919 -12.848 3.566 1.00 0.00 H new ATOM 0 HG SER A 73 -17.193 -12.413 3.416 1.00 0.00 H new ATOM 1037 N THR A 74 -12.624 -13.245 5.317 1.00 0.00 N ATOM 1038 CA THR A 74 -11.701 -14.369 5.434 1.00 0.00 C ATOM 1039 C THR A 74 -11.528 -14.778 6.893 1.00 0.00 C ATOM 1040 O THR A 74 -11.383 -15.961 7.203 1.00 0.00 O ATOM 1041 CB THR A 74 -10.344 -14.009 4.829 1.00 0.00 C ATOM 1042 OG1 THR A 74 -9.730 -12.964 5.560 1.00 0.00 O ATOM 1043 CG2 THR A 74 -10.432 -13.567 3.383 1.00 0.00 C ATOM 0 H THR A 74 -12.225 -12.415 4.879 1.00 0.00 H new ATOM 0 HA THR A 74 -12.122 -15.211 4.885 1.00 0.00 H new ATOM 0 HB THR A 74 -9.754 -14.924 4.878 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.915 -12.107 5.123 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.435 -13.326 3.015 1.00 0.00 H new ATOM 0 HG22 THR A 74 -10.857 -14.371 2.782 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.068 -12.685 3.310 1.00 0.00 H new ATOM 1051 N GLY A 75 -11.545 -13.793 7.785 1.00 0.00 N ATOM 1052 CA GLY A 75 -11.390 -14.071 9.201 1.00 0.00 C ATOM 1053 C GLY A 75 -9.935 -14.163 9.617 1.00 0.00 C ATOM 1054 O GLY A 75 -9.620 -14.691 10.683 1.00 0.00 O ATOM 0 H GLY A 75 -11.663 -12.807 7.553 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.881 -13.287 9.778 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.894 -15.007 9.442 1.00 0.00 H new ATOM 1058 N GLU A 76 -9.047 -13.649 8.773 1.00 0.00 N ATOM 1059 CA GLU A 76 -7.616 -13.678 9.056 1.00 0.00 C ATOM 1060 C GLU A 76 -7.181 -12.423 9.805 1.00 0.00 C ATOM 1061 O GLU A 76 -7.893 -11.419 9.827 1.00 0.00 O ATOM 1062 CB GLU A 76 -6.821 -13.810 7.756 1.00 0.00 C ATOM 1063 CG GLU A 76 -6.490 -15.247 7.388 1.00 0.00 C ATOM 1064 CD GLU A 76 -4.998 -15.513 7.356 1.00 0.00 C ATOM 1065 OE1 GLU A 76 -4.220 -14.536 7.358 1.00 0.00 O ATOM 1066 OE2 GLU A 76 -4.606 -16.699 7.330 1.00 0.00 O ATOM 0 H GLU A 76 -9.293 -13.207 7.887 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.415 -14.543 9.688 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.391 -13.358 6.944 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.894 -13.245 7.848 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.960 -15.919 8.106 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.917 -15.475 6.411 1.00 0.00 H new ATOM 1073 N PRO A 77 -5.995 -12.467 10.431 1.00 0.00 N ATOM 1074 CA PRO A 77 -5.451 -11.333 11.186 1.00 0.00 C ATOM 1075 C PRO A 77 -5.112 -10.149 10.289 1.00 0.00 C ATOM 1076 O PRO A 77 -4.321 -10.271 9.355 1.00 0.00 O ATOM 1077 CB PRO A 77 -4.180 -11.901 11.823 1.00 0.00 C ATOM 1078 CG PRO A 77 -3.799 -13.050 10.955 1.00 0.00 C ATOM 1079 CD PRO A 77 -5.090 -13.629 10.449 1.00 0.00 C ATOM 0 HA PRO A 77 -6.169 -10.947 11.910 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.388 -11.153 11.859 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.362 -12.223 12.848 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.167 -12.723 10.129 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.231 -13.792 11.516 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -4.974 -14.065 9.457 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.461 -14.418 11.103 1.00 0.00 H new ATOM 1087 N MET A 78 -5.716 -9.002 10.580 1.00 0.00 N ATOM 1088 CA MET A 78 -5.478 -7.793 9.801 1.00 0.00 C ATOM 1089 C MET A 78 -5.251 -6.595 10.714 1.00 0.00 C ATOM 1090 O MET A 78 -5.721 -6.571 11.852 1.00 0.00 O ATOM 1091 CB MET A 78 -6.660 -7.519 8.868 1.00 0.00 C ATOM 1092 CG MET A 78 -6.659 -8.380 7.615 1.00 0.00 C ATOM 1093 SD MET A 78 -8.236 -8.340 6.744 1.00 0.00 S ATOM 1094 CE MET A 78 -8.448 -6.576 6.514 1.00 0.00 C ATOM 0 H MET A 78 -6.374 -8.884 11.350 1.00 0.00 H new ATOM 0 HA MET A 78 -4.580 -7.948 9.203 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.589 -7.687 9.413 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.646 -6.469 8.577 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.870 -8.039 6.945 1.00 0.00 H new ATOM 0 HG3 MET A 78 -6.424 -9.409 7.886 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.295 -6.395 5.852 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.633 -6.103 7.478 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.545 -6.156 6.071 1.00 0.00 H new ATOM 1104 N THR A 79 -4.529 -5.601 10.208 1.00 0.00 N ATOM 1105 CA THR A 79 -4.241 -4.397 10.979 1.00 0.00 C ATOM 1106 C THR A 79 -4.830 -3.167 10.298 1.00 0.00 C ATOM 1107 O THR A 79 -5.564 -3.280 9.317 1.00 0.00 O ATOM 1108 CB THR A 79 -2.731 -4.227 11.150 1.00 0.00 C ATOM 1109 OG1 THR A 79 -2.125 -3.868 9.922 1.00 0.00 O ATOM 1110 CG2 THR A 79 -2.042 -5.475 11.655 1.00 0.00 C ATOM 0 H THR A 79 -4.133 -5.605 9.268 1.00 0.00 H new ATOM 0 HA THR A 79 -4.700 -4.502 11.962 1.00 0.00 H new ATOM 0 HB THR A 79 -2.611 -3.440 11.894 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.916 -4.678 9.411 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.973 -5.286 11.754 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.453 -5.750 12.626 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.202 -6.290 10.949 1.00 0.00 H new ATOM 1118 N ALA A 80 -4.503 -1.992 10.823 1.00 0.00 N ATOM 1119 CA ALA A 80 -5.001 -0.743 10.262 1.00 0.00 C ATOM 1120 C ALA A 80 -4.150 -0.298 9.078 1.00 0.00 C ATOM 1121 O ALA A 80 -2.967 0.005 9.231 1.00 0.00 O ATOM 1122 CB ALA A 80 -5.030 0.340 11.329 1.00 0.00 C ATOM 0 H ALA A 80 -3.896 -1.879 11.635 1.00 0.00 H new ATOM 0 HA ALA A 80 -6.017 -0.912 9.904 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.404 1.268 10.896 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.684 0.030 12.144 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.022 0.499 11.713 1.00 0.00 H new ATOM 1128 N GLY A 81 -4.760 -0.262 7.899 1.00 0.00 N ATOM 1129 CA GLY A 81 -4.041 0.149 6.709 1.00 0.00 C ATOM 1130 C GLY A 81 -4.014 -0.925 5.642 1.00 0.00 C ATOM 1131 O GLY A 81 -3.967 -0.622 4.450 1.00 0.00 O ATOM 0 H GLY A 81 -5.738 -0.510 7.746 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.504 1.048 6.302 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.018 0.412 6.980 1.00 0.00 H new ATOM 1135 N THR A 82 -4.050 -2.184 6.066 1.00 0.00 N ATOM 1136 CA THR A 82 -4.036 -3.300 5.129 1.00 0.00 C ATOM 1137 C THR A 82 -5.166 -3.159 4.115 1.00 0.00 C ATOM 1138 O THR A 82 -6.329 -3.410 4.431 1.00 0.00 O ATOM 1139 CB THR A 82 -4.168 -4.624 5.883 1.00 0.00 C ATOM 1140 OG1 THR A 82 -3.879 -4.448 7.259 1.00 0.00 O ATOM 1141 CG2 THR A 82 -3.251 -5.705 5.356 1.00 0.00 C ATOM 0 H THR A 82 -4.089 -2.456 7.048 1.00 0.00 H new ATOM 0 HA THR A 82 -3.086 -3.292 4.594 1.00 0.00 H new ATOM 0 HB THR A 82 -5.200 -4.941 5.734 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.938 -4.665 7.426 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.394 -6.618 5.934 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.482 -5.899 4.309 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.215 -5.378 5.445 1.00 0.00 H new ATOM 1149 N ARG A 83 -4.820 -2.751 2.898 1.00 0.00 N ATOM 1150 CA ARG A 83 -5.816 -2.572 1.847 1.00 0.00 C ATOM 1151 C ARG A 83 -5.181 -2.676 0.467 1.00 0.00 C ATOM 1152 O ARG A 83 -3.958 -2.663 0.330 1.00 0.00 O ATOM 1153 CB ARG A 83 -6.505 -1.215 1.997 1.00 0.00 C ATOM 1154 CG ARG A 83 -7.092 -0.983 3.379 1.00 0.00 C ATOM 1155 CD ARG A 83 -7.983 0.249 3.409 1.00 0.00 C ATOM 1156 NE ARG A 83 -7.577 1.254 2.425 1.00 0.00 N ATOM 1157 CZ ARG A 83 -6.402 1.873 2.453 1.00 0.00 C ATOM 1158 NH1 ARG A 83 -5.525 1.597 3.409 1.00 0.00 N ATOM 1159 NH2 ARG A 83 -6.107 2.775 1.529 1.00 0.00 N ATOM 0 H ARG A 83 -3.863 -2.539 2.616 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.556 -3.366 1.947 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.786 -0.425 1.779 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.300 -1.136 1.255 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.669 -1.857 3.681 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.285 -0.867 4.103 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.015 -0.047 3.218 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.957 0.689 4.406 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.231 1.491 1.679 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.752 0.908 4.126 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.624 2.074 3.427 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -6.782 2.994 0.796 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.205 3.251 1.550 1.00 0.00 H new ATOM 1173 N LEU A 84 -6.022 -2.773 -0.556 1.00 0.00 N ATOM 1174 CA LEU A 84 -5.544 -2.874 -1.928 1.00 0.00 C ATOM 1175 C LEU A 84 -4.735 -1.638 -2.304 1.00 0.00 C ATOM 1176 O LEU A 84 -5.215 -0.769 -3.030 1.00 0.00 O ATOM 1177 CB LEU A 84 -6.722 -3.043 -2.888 1.00 0.00 C ATOM 1178 CG LEU A 84 -7.386 -4.420 -2.863 1.00 0.00 C ATOM 1179 CD1 LEU A 84 -8.391 -4.506 -1.725 1.00 0.00 C ATOM 1180 CD2 LEU A 84 -8.061 -4.709 -4.195 1.00 0.00 C ATOM 0 H LEU A 84 -7.037 -2.784 -0.461 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.898 -3.749 -2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.474 -2.290 -2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.376 -2.842 -3.902 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.615 -5.172 -2.698 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.854 -5.493 -1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.881 -4.342 -0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.160 -3.745 -1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -8.529 -5.693 -4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.821 -3.953 -4.389 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.317 -4.689 -4.992 1.00 0.00 H new ATOM 1192 N SER A 85 -3.507 -1.566 -1.801 1.00 0.00 N ATOM 1193 CA SER A 85 -2.631 -0.435 -2.082 1.00 0.00 C ATOM 1194 C SER A 85 -2.724 -0.023 -3.546 1.00 0.00 C ATOM 1195 O SER A 85 -2.761 1.164 -3.865 1.00 0.00 O ATOM 1196 CB SER A 85 -1.184 -0.784 -1.733 1.00 0.00 C ATOM 1197 OG SER A 85 -0.284 0.167 -2.277 1.00 0.00 O ATOM 0 H SER A 85 -3.096 -2.278 -1.197 1.00 0.00 H new ATOM 0 HA SER A 85 -2.956 0.403 -1.465 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.067 -0.822 -0.650 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.944 -1.776 -2.115 1.00 0.00 H new ATOM 0 HG SER A 85 -0.097 -0.057 -3.213 1.00 0.00 H new ATOM 1203 N CYS A 86 -2.759 -1.013 -4.432 1.00 0.00 N ATOM 1204 CA CYS A 86 -2.845 -0.760 -5.867 1.00 0.00 C ATOM 1205 C CYS A 86 -4.103 0.034 -6.216 1.00 0.00 C ATOM 1206 O CYS A 86 -4.240 0.532 -7.332 1.00 0.00 O ATOM 1207 CB CYS A 86 -2.834 -2.083 -6.638 1.00 0.00 C ATOM 1208 SG CYS A 86 -4.476 -2.849 -6.840 1.00 0.00 S ATOM 0 H CYS A 86 -2.729 -2.001 -4.181 1.00 0.00 H new ATOM 0 HA CYS A 86 -1.977 -0.167 -6.155 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -2.403 -1.911 -7.624 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -2.180 -2.785 -6.122 1.00 0.00 H new ATOM 0 HG CYS A 86 -4.358 -3.959 -7.506 1.00 0.00 H new ATOM 1213 N GLN A 87 -5.023 0.133 -5.263 1.00 0.00 N ATOM 1214 CA GLN A 87 -6.273 0.849 -5.481 1.00 0.00 C ATOM 1215 C GLN A 87 -6.254 2.245 -4.859 1.00 0.00 C ATOM 1216 O GLN A 87 -7.227 2.988 -4.973 1.00 0.00 O ATOM 1217 CB GLN A 87 -7.442 0.047 -4.909 1.00 0.00 C ATOM 1218 CG GLN A 87 -7.907 -1.081 -5.815 1.00 0.00 C ATOM 1219 CD GLN A 87 -8.560 -0.574 -7.087 1.00 0.00 C ATOM 1220 OE1 GLN A 87 -9.292 0.415 -7.070 1.00 0.00 O ATOM 1221 NE2 GLN A 87 -8.297 -1.252 -8.198 1.00 0.00 N ATOM 0 H GLN A 87 -4.926 -0.274 -4.333 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.395 0.968 -6.558 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -7.149 -0.370 -3.945 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -8.278 0.721 -4.724 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -7.055 -1.709 -6.074 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.614 -1.710 -5.273 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -7.684 -2.067 -8.165 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.708 -0.958 -9.084 1.00 0.00 H new ATOM 1230 N VAL A 88 -5.154 2.606 -4.201 1.00 0.00 N ATOM 1231 CA VAL A 88 -5.048 3.911 -3.579 1.00 0.00 C ATOM 1232 C VAL A 88 -4.077 4.791 -4.341 1.00 0.00 C ATOM 1233 O VAL A 88 -2.918 4.434 -4.502 1.00 0.00 O ATOM 1234 CB VAL A 88 -4.574 3.787 -2.125 1.00 0.00 C ATOM 1235 CG1 VAL A 88 -4.202 5.147 -1.575 1.00 0.00 C ATOM 1236 CG2 VAL A 88 -5.639 3.119 -1.273 1.00 0.00 C ATOM 0 H VAL A 88 -4.332 2.013 -4.089 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.039 4.364 -3.597 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.684 3.159 -2.098 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.868 5.043 -0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.399 5.575 -2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.071 5.804 -1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.286 3.039 -0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.551 3.715 -1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.846 2.123 -1.664 1.00 0.00 H new ATOM 1246 N PHE A 89 -4.556 5.934 -4.821 1.00 0.00 N ATOM 1247 CA PHE A 89 -3.717 6.851 -5.584 1.00 0.00 C ATOM 1248 C PHE A 89 -3.425 8.139 -4.831 1.00 0.00 C ATOM 1249 O PHE A 89 -4.287 8.707 -4.161 1.00 0.00 O ATOM 1250 CB PHE A 89 -4.379 7.169 -6.921 1.00 0.00 C ATOM 1251 CG PHE A 89 -4.738 5.934 -7.682 1.00 0.00 C ATOM 1252 CD1 PHE A 89 -4.171 4.727 -7.320 1.00 0.00 C ATOM 1253 CD2 PHE A 89 -5.641 5.970 -8.735 1.00 0.00 C ATOM 1254 CE1 PHE A 89 -4.493 3.562 -7.994 1.00 0.00 C ATOM 1255 CE2 PHE A 89 -5.969 4.810 -9.420 1.00 0.00 C ATOM 1256 CZ PHE A 89 -5.393 3.603 -9.049 1.00 0.00 C ATOM 0 H PHE A 89 -5.519 6.247 -4.696 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.762 6.352 -5.750 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.278 7.761 -6.748 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.706 7.781 -7.521 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.468 4.692 -6.501 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.092 6.908 -9.023 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.045 2.624 -7.700 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.671 4.846 -10.240 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.645 2.697 -9.581 1.00 0.00 H new ATOM 1266 N ILE A 90 -2.185 8.580 -4.962 1.00 0.00 N ATOM 1267 CA ILE A 90 -1.699 9.785 -4.329 1.00 0.00 C ATOM 1268 C ILE A 90 -2.614 10.986 -4.567 1.00 0.00 C ATOM 1269 O ILE A 90 -3.189 11.157 -5.642 1.00 0.00 O ATOM 1270 CB ILE A 90 -0.284 10.081 -4.854 1.00 0.00 C ATOM 1271 CG1 ILE A 90 0.673 8.988 -4.391 1.00 0.00 C ATOM 1272 CG2 ILE A 90 0.226 11.422 -4.382 1.00 0.00 C ATOM 1273 CD1 ILE A 90 1.447 9.369 -3.143 1.00 0.00 C ATOM 0 H ILE A 90 -1.480 8.100 -5.521 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.682 9.619 -3.252 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.335 10.105 -5.943 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.108 8.076 -4.198 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.376 8.764 -5.194 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.228 11.589 -4.776 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.439 12.209 -4.736 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.258 11.436 -3.293 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.111 8.551 -2.863 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.037 10.264 -3.340 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.750 9.566 -2.328 1.00 0.00 H new ATOM 1285 N ASP A 91 -2.728 11.805 -3.534 1.00 0.00 N ATOM 1286 CA ASP A 91 -3.520 12.991 -3.517 1.00 0.00 C ATOM 1287 C ASP A 91 -2.919 13.855 -2.436 1.00 0.00 C ATOM 1288 O ASP A 91 -2.403 13.321 -1.460 1.00 0.00 O ATOM 1289 CB ASP A 91 -4.964 12.611 -3.187 1.00 0.00 C ATOM 1290 CG ASP A 91 -5.046 11.588 -2.070 1.00 0.00 C ATOM 1291 OD1 ASP A 91 -4.404 11.801 -1.021 1.00 0.00 O ATOM 1292 OD2 ASP A 91 -5.754 10.574 -2.246 1.00 0.00 O ATOM 0 H ASP A 91 -2.243 11.640 -2.652 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.530 13.517 -4.472 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.517 13.505 -2.900 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.446 12.212 -4.079 1.00 0.00 H new ATOM 1297 N PRO A 92 -2.938 15.176 -2.580 1.00 0.00 N ATOM 1298 CA PRO A 92 -2.368 16.075 -1.580 1.00 0.00 C ATOM 1299 C PRO A 92 -2.566 15.509 -0.176 1.00 0.00 C ATOM 1300 O PRO A 92 -1.755 15.723 0.727 1.00 0.00 O ATOM 1301 CB PRO A 92 -3.153 17.351 -1.836 1.00 0.00 C ATOM 1302 CG PRO A 92 -3.330 17.346 -3.324 1.00 0.00 C ATOM 1303 CD PRO A 92 -3.491 15.903 -3.725 1.00 0.00 C ATOM 0 HA PRO A 92 -1.291 16.227 -1.649 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.111 17.347 -1.316 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.610 18.233 -1.497 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.204 17.930 -3.614 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.469 17.794 -3.820 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.536 15.647 -3.898 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -2.951 15.678 -4.645 1.00 0.00 H new ATOM 1311 N SER A 93 -3.630 14.726 -0.039 1.00 0.00 N ATOM 1312 CA SER A 93 -3.969 14.026 1.188 1.00 0.00 C ATOM 1313 C SER A 93 -3.130 12.755 1.370 1.00 0.00 C ATOM 1314 O SER A 93 -3.586 11.796 1.991 1.00 0.00 O ATOM 1315 CB SER A 93 -5.425 13.609 1.101 1.00 0.00 C ATOM 1316 OG SER A 93 -5.897 13.676 -0.234 1.00 0.00 O ATOM 0 H SER A 93 -4.293 14.559 -0.796 1.00 0.00 H new ATOM 0 HA SER A 93 -3.777 14.693 2.028 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.539 12.593 1.479 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.030 14.255 1.737 1.00 0.00 H new ATOM 0 HG SER A 93 -6.837 13.401 -0.263 1.00 0.00 H new ATOM 1322 N MET A 94 -1.936 12.729 0.798 1.00 0.00 N ATOM 1323 CA MET A 94 -1.085 11.560 0.869 1.00 0.00 C ATOM 1324 C MET A 94 0.306 11.876 0.339 1.00 0.00 C ATOM 1325 O MET A 94 0.897 11.091 -0.404 1.00 0.00 O ATOM 1326 CB MET A 94 -1.718 10.453 0.039 1.00 0.00 C ATOM 1327 CG MET A 94 -2.524 9.478 0.866 1.00 0.00 C ATOM 1328 SD MET A 94 -2.758 7.902 0.029 1.00 0.00 S ATOM 1329 CE MET A 94 -4.542 7.842 -0.065 1.00 0.00 C ATOM 0 H MET A 94 -1.536 13.510 0.278 1.00 0.00 H new ATOM 0 HA MET A 94 -0.986 11.243 1.907 1.00 0.00 H new ATOM 0 HB2 MET A 94 -2.364 10.899 -0.718 1.00 0.00 H new ATOM 0 HB3 MET A 94 -0.934 9.910 -0.490 1.00 0.00 H new ATOM 0 HG2 MET A 94 -2.021 9.310 1.818 1.00 0.00 H new ATOM 0 HG3 MET A 94 -3.497 9.915 1.092 1.00 0.00 H new ATOM 0 HE1 MET A 94 -4.895 6.886 0.323 1.00 0.00 H new ATOM 0 HE2 MET A 94 -4.965 8.653 0.528 1.00 0.00 H new ATOM 0 HE3 MET A 94 -4.855 7.950 -1.103 1.00 0.00 H new ATOM 1339 N ASP A 95 0.816 13.034 0.715 1.00 0.00 N ATOM 1340 CA ASP A 95 2.119 13.463 0.285 1.00 0.00 C ATOM 1341 C ASP A 95 3.169 13.104 1.316 1.00 0.00 C ATOM 1342 O ASP A 95 3.036 13.446 2.486 1.00 0.00 O ATOM 1343 CB ASP A 95 2.122 14.967 -0.005 1.00 0.00 C ATOM 1344 CG ASP A 95 1.433 15.310 -1.308 1.00 0.00 C ATOM 1345 OD1 ASP A 95 0.475 14.598 -1.676 1.00 0.00 O ATOM 1346 OD2 ASP A 95 1.847 16.290 -1.959 1.00 0.00 O ATOM 0 H ASP A 95 0.335 13.696 1.324 1.00 0.00 H new ATOM 0 HA ASP A 95 2.366 12.941 -0.639 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.627 15.492 0.812 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.151 15.325 -0.037 1.00 0.00 H new ATOM 1351 N GLY A 96 4.197 12.392 0.881 1.00 0.00 N ATOM 1352 CA GLY A 96 5.232 11.968 1.800 1.00 0.00 C ATOM 1353 C GLY A 96 4.794 10.722 2.520 1.00 0.00 C ATOM 1354 O GLY A 96 5.090 10.537 3.692 1.00 0.00 O ATOM 0 H GLY A 96 4.333 12.101 -0.087 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.158 11.779 1.257 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.440 12.761 2.519 1.00 0.00 H new ATOM 1358 N LEU A 97 4.049 9.891 1.793 1.00 0.00 N ATOM 1359 CA LEU A 97 3.491 8.648 2.317 1.00 0.00 C ATOM 1360 C LEU A 97 4.538 7.617 2.677 1.00 0.00 C ATOM 1361 O LEU A 97 5.621 7.572 2.107 1.00 0.00 O ATOM 1362 CB LEU A 97 2.557 8.029 1.285 1.00 0.00 C ATOM 1363 CG LEU A 97 1.151 7.747 1.783 1.00 0.00 C ATOM 1364 CD1 LEU A 97 0.256 8.907 1.428 1.00 0.00 C ATOM 1365 CD2 LEU A 97 0.615 6.453 1.189 1.00 0.00 C ATOM 0 H LEU A 97 3.814 10.064 0.816 1.00 0.00 H new ATOM 0 HA LEU A 97 2.963 8.919 3.231 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.495 8.697 0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.996 7.096 0.933 1.00 0.00 H new ATOM 0 HG LEU A 97 1.173 7.628 2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.755 8.709 1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.634 9.815 1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.241 9.037 0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.394 6.272 1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.592 6.534 0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.262 5.625 1.478 1.00 0.00 H new ATOM 1377 N ILE A 98 4.177 6.771 3.625 1.00 0.00 N ATOM 1378 CA ILE A 98 5.056 5.701 4.069 1.00 0.00 C ATOM 1379 C ILE A 98 4.372 4.351 3.923 1.00 0.00 C ATOM 1380 O ILE A 98 3.335 4.097 4.522 1.00 0.00 O ATOM 1381 CB ILE A 98 5.509 5.864 5.519 1.00 0.00 C ATOM 1382 CG1 ILE A 98 6.153 7.222 5.723 1.00 0.00 C ATOM 1383 CG2 ILE A 98 6.451 4.747 5.924 1.00 0.00 C ATOM 1384 CD1 ILE A 98 5.192 8.332 5.421 1.00 0.00 C ATOM 0 H ILE A 98 3.277 6.804 4.105 1.00 0.00 H new ATOM 0 HA ILE A 98 5.938 5.754 3.431 1.00 0.00 H new ATOM 0 HB ILE A 98 4.630 5.803 6.161 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.502 7.310 6.752 1.00 0.00 H new ATOM 0 HG13 ILE A 98 7.029 7.312 5.080 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.758 4.888 6.960 1.00 0.00 H new ATOM 0 HG22 ILE A 98 5.943 3.788 5.823 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.330 4.761 5.280 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.684 9.292 5.577 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.863 8.257 4.384 1.00 0.00 H new ATOM 0 HD13 ILE A 98 4.329 8.256 6.082 1.00 0.00 H new ATOM 1396 N VAL A 99 4.939 3.485 3.113 1.00 0.00 N ATOM 1397 CA VAL A 99 4.340 2.191 2.898 1.00 0.00 C ATOM 1398 C VAL A 99 5.008 1.075 3.692 1.00 0.00 C ATOM 1399 O VAL A 99 5.892 1.318 4.507 1.00 0.00 O ATOM 1400 CB VAL A 99 4.298 1.830 1.425 1.00 0.00 C ATOM 1401 CG1 VAL A 99 2.986 1.143 1.148 1.00 0.00 C ATOM 1402 CG2 VAL A 99 4.443 3.069 0.563 1.00 0.00 C ATOM 0 H VAL A 99 5.804 3.652 2.599 1.00 0.00 H new ATOM 0 HA VAL A 99 3.319 2.281 3.270 1.00 0.00 H new ATOM 0 HB VAL A 99 5.127 1.165 1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.932 0.873 0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.911 0.242 1.757 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.164 1.816 1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.410 2.786 -0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.628 3.760 0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.395 3.553 0.779 1.00 0.00 H new ATOM 1412 N ARG A 100 4.548 -0.150 3.452 1.00 0.00 N ATOM 1413 CA ARG A 100 5.072 -1.331 4.137 1.00 0.00 C ATOM 1414 C ARG A 100 4.624 -2.612 3.429 1.00 0.00 C ATOM 1415 O ARG A 100 3.552 -2.649 2.825 1.00 0.00 O ATOM 1416 CB ARG A 100 4.592 -1.354 5.589 1.00 0.00 C ATOM 1417 CG ARG A 100 5.617 -0.835 6.580 1.00 0.00 C ATOM 1418 CD ARG A 100 4.993 -0.592 7.943 1.00 0.00 C ATOM 1419 NE ARG A 100 5.906 -0.923 9.034 1.00 0.00 N ATOM 1420 CZ ARG A 100 5.579 -0.840 10.321 1.00 0.00 C ATOM 1421 NH1 ARG A 100 4.362 -0.451 10.675 1.00 0.00 N ATOM 1422 NH2 ARG A 100 6.470 -1.147 11.255 1.00 0.00 N ATOM 0 H ARG A 100 3.806 -0.353 2.782 1.00 0.00 H new ATOM 0 HA ARG A 100 6.161 -1.281 4.116 1.00 0.00 H new ATOM 0 HB2 ARG A 100 3.685 -0.756 5.672 1.00 0.00 H new ATOM 0 HB3 ARG A 100 4.325 -2.376 5.858 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.432 -1.553 6.673 1.00 0.00 H new ATOM 0 HG3 ARG A 100 6.051 0.092 6.206 1.00 0.00 H new ATOM 0 HD2 ARG A 100 4.697 0.454 8.024 1.00 0.00 H new ATOM 0 HD3 ARG A 100 4.086 -1.189 8.037 1.00 0.00 H new ATOM 0 HE ARG A 100 6.847 -1.235 8.796 1.00 0.00 H new ATOM 0 HH11 ARG A 100 3.674 -0.215 9.960 1.00 0.00 H new ATOM 0 HH12 ARG A 100 4.114 -0.388 11.662 1.00 0.00 H new ATOM 0 HH21 ARG A 100 7.407 -1.447 10.987 1.00 0.00 H new ATOM 0 HH22 ARG A 100 6.218 -1.083 12.241 1.00 0.00 H new ATOM 1436 N VAL A 101 5.445 -3.660 3.506 1.00 0.00 N ATOM 1437 CA VAL A 101 5.116 -4.932 2.870 1.00 0.00 C ATOM 1438 C VAL A 101 4.897 -6.026 3.911 1.00 0.00 C ATOM 1439 O VAL A 101 5.838 -6.469 4.571 1.00 0.00 O ATOM 1440 CB VAL A 101 6.224 -5.376 1.897 1.00 0.00 C ATOM 1441 CG1 VAL A 101 5.818 -6.642 1.160 1.00 0.00 C ATOM 1442 CG2 VAL A 101 6.543 -4.257 0.919 1.00 0.00 C ATOM 0 H VAL A 101 6.337 -3.652 4.000 1.00 0.00 H new ATOM 0 HA VAL A 101 4.193 -4.778 2.310 1.00 0.00 H new ATOM 0 HB VAL A 101 7.123 -5.598 2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.615 -6.938 0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.641 -7.441 1.880 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.906 -6.456 0.593 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.328 -4.583 0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.648 -4.005 0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.882 -3.379 1.469 1.00 0.00 H new ATOM 1452 N PRO A 102 3.641 -6.460 4.081 1.00 0.00 N ATOM 1453 CA PRO A 102 3.267 -7.494 5.057 1.00 0.00 C ATOM 1454 C PRO A 102 3.435 -8.908 4.534 1.00 0.00 C ATOM 1455 O PRO A 102 2.544 -9.749 4.660 1.00 0.00 O ATOM 1456 CB PRO A 102 1.800 -7.198 5.271 1.00 0.00 C ATOM 1457 CG PRO A 102 1.350 -6.813 3.908 1.00 0.00 C ATOM 1458 CD PRO A 102 2.461 -5.965 3.350 1.00 0.00 C ATOM 0 HA PRO A 102 3.891 -7.460 5.950 1.00 0.00 H new ATOM 0 HB2 PRO A 102 1.261 -8.068 5.646 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.649 -6.394 5.991 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.176 -7.692 3.288 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.412 -6.259 3.945 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.568 -6.094 2.273 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.289 -4.903 3.528 1.00 0.00 H new