USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 749 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 41 TYR OH : rot 150:sc= -2.44! USER MOD Set 1.2: A 63 ASN : amide:sc= -3.05! C(o=-5.5!,f=-5.8!) USER MOD Set 2.1: A 20 THR OG1 : rot 159:sc= -1.6 USER MOD Set 2.2: A 23 SER OG : rot 180:sc= -0.506 USER MOD Set 3.1: A 18 SER OG : rot 180:sc= 0.194 USER MOD Set 3.2: A 25 THR OG1 : rot 146:sc= 0.207 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0179 USER MOD Single : A 10 THR OG1 : rot 86:sc= 1.25 USER MOD Single : A 14 MET CE :methyl 158:sc= -0.0593 (180deg=-0.593) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.941 F(o=-1.5!,f=-0.94) USER MOD Single : A 21 MET CE :methyl 172:sc= -1.42 (180deg=-1.63!) USER MOD Single : A 27 SER OG : rot -41:sc= 1.22 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 33 GLN : amide:sc= -0.016 K(o=-0.016,f=-0.53) USER MOD Single : A 35 ASN : amide:sc= 0.00395 X(o=0.0039,f=-0.28) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.331 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 157:sc= -0.055 (180deg=-0.418) USER MOD Single : A 50 HIS : no HD1:sc= -0.51 X(o=-0.51,f=-0.38) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 54 ASN : amide:sc= -0.0575 K(o=-0.057,f=-1) USER MOD Single : A 55 SER OG : rot -98:sc= 1.34 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -169:sc=-0.00749 (180deg=-0.122) USER MOD Single : A 60 SER OG : rot 180:sc= -0.591 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 168:sc= -1.06! USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -152:sc= -0.175 (180deg=-0.776) USER MOD Single : A 76 TYR OH : rot -89:sc= 1.87 USER MOD Single : A 79 GLN : amide:sc= -6.4! C(o=-6.4!,f=-8.5!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot -30:sc= -1.38 USER MOD Single : A 94 LYS NZ :NH3+ 168:sc= -0.0164 (180deg=-0.189) USER MOD Single : A 95 MET CE :methyl 148:sc= -0.963 (180deg=-1.44) USER MOD Single : A 96 CYS SG : rot 180:sc= 0 USER MOD Single : A 98 GLN :FLIP amide:sc= 0.592 F(o=0,f=0.59) USER MOD Single : A 99 THR OG1 : rot -144:sc= 0.369 USER MOD Single : A 101 THR OG1 : rot 30:sc= 0.468 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -1.874 -17.843 -5.165 1.00 0.00 N ATOM 60 CA GLY A 7 -1.191 -16.645 -5.617 1.00 0.00 C ATOM 61 C GLY A 7 0.195 -16.507 -5.019 1.00 0.00 C ATOM 62 O GLY A 7 0.669 -17.379 -4.291 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.114 -16.663 -6.704 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.786 -15.770 -5.354 1.00 0.00 H new ATOM 66 N PRO A 8 0.869 -15.390 -5.329 1.00 0.00 N ATOM 67 CA PRO A 8 2.219 -15.115 -4.829 1.00 0.00 C ATOM 68 C PRO A 8 2.235 -14.826 -3.332 1.00 0.00 C ATOM 69 O PRO A 8 1.206 -14.498 -2.743 1.00 0.00 O ATOM 70 CB PRO A 8 2.644 -13.874 -5.618 1.00 0.00 C ATOM 71 CG PRO A 8 1.366 -13.205 -5.989 1.00 0.00 C ATOM 72 CD PRO A 8 0.365 -14.308 -6.192 1.00 0.00 C ATOM 0 HA PRO A 8 2.884 -15.969 -4.961 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.274 -13.219 -5.016 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.220 -14.145 -6.503 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.041 -12.522 -5.204 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.484 -12.613 -6.897 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.639 -13.998 -5.902 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.314 -14.617 -7.236 1.00 0.00 H new ATOM 80 N SER A 9 3.410 -14.950 -2.722 1.00 0.00 N ATOM 81 CA SER A 9 3.559 -14.706 -1.292 1.00 0.00 C ATOM 82 C SER A 9 3.091 -13.299 -0.931 1.00 0.00 C ATOM 83 O SER A 9 2.571 -12.568 -1.774 1.00 0.00 O ATOM 84 CB SER A 9 5.017 -14.895 -0.870 1.00 0.00 C ATOM 85 OG SER A 9 5.166 -14.743 0.531 1.00 0.00 O ATOM 0 H SER A 9 4.272 -15.218 -3.196 1.00 0.00 H new ATOM 0 HA SER A 9 2.938 -15.426 -0.758 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.360 -15.885 -1.170 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.645 -14.170 -1.387 1.00 0.00 H new ATOM 0 HG SER A 9 6.106 -14.870 0.776 1.00 0.00 H new ATOM 91 N THR A 10 3.279 -12.926 0.332 1.00 0.00 N ATOM 92 CA THR A 10 2.876 -11.609 0.807 1.00 0.00 C ATOM 93 C THR A 10 3.770 -11.140 1.949 1.00 0.00 C ATOM 94 O THR A 10 4.260 -11.947 2.740 1.00 0.00 O ATOM 95 CB THR A 10 1.411 -11.607 1.283 1.00 0.00 C ATOM 96 OG1 THR A 10 0.867 -10.286 1.190 1.00 0.00 O ATOM 97 CG2 THR A 10 1.308 -12.103 2.718 1.00 0.00 C ATOM 0 H THR A 10 3.708 -13.518 1.043 1.00 0.00 H new ATOM 0 HA THR A 10 2.977 -10.925 -0.035 1.00 0.00 H new ATOM 0 HB THR A 10 0.843 -12.279 0.640 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.521 -10.138 0.285 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.264 -12.093 3.032 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.696 -13.120 2.780 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.890 -11.452 3.371 1.00 0.00 H new ATOM 105 N VAL A 11 3.979 -9.829 2.031 1.00 0.00 N ATOM 106 CA VAL A 11 4.813 -9.252 3.079 1.00 0.00 C ATOM 107 C VAL A 11 4.179 -9.440 4.452 1.00 0.00 C ATOM 108 O VAL A 11 2.986 -9.208 4.650 1.00 0.00 O ATOM 109 CB VAL A 11 5.056 -7.750 2.839 1.00 0.00 C ATOM 110 CG1 VAL A 11 5.827 -7.142 4.000 1.00 0.00 C ATOM 111 CG2 VAL A 11 5.795 -7.534 1.527 1.00 0.00 C ATOM 0 H VAL A 11 3.582 -9.147 1.384 1.00 0.00 H new ATOM 0 HA VAL A 11 5.768 -9.777 3.048 1.00 0.00 H new ATOM 0 HB VAL A 11 4.090 -7.249 2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.989 -6.081 3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.256 -7.265 4.920 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.789 -7.644 4.100 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.959 -6.467 1.373 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.756 -8.047 1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.201 -7.932 0.705 1.00 0.00 H new ATOM 121 N PRO A 12 4.994 -9.870 5.427 1.00 0.00 N ATOM 122 CA PRO A 12 4.535 -10.098 6.800 1.00 0.00 C ATOM 123 C PRO A 12 4.198 -8.798 7.522 1.00 0.00 C ATOM 124 O PRO A 12 3.189 -8.709 8.221 1.00 0.00 O ATOM 125 CB PRO A 12 5.732 -10.784 7.465 1.00 0.00 C ATOM 126 CG PRO A 12 6.913 -10.334 6.676 1.00 0.00 C ATOM 127 CD PRO A 12 6.427 -10.167 5.262 1.00 0.00 C ATOM 0 HA PRO A 12 3.618 -10.686 6.831 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.822 -10.495 8.512 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.630 -11.869 7.441 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.309 -9.396 7.066 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.719 -11.066 6.728 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.949 -9.358 4.751 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.585 -11.071 4.673 1.00 0.00 H new ATOM 135 N ILE A 13 5.049 -7.792 7.347 1.00 0.00 N ATOM 136 CA ILE A 13 4.840 -6.496 7.981 1.00 0.00 C ATOM 137 C ILE A 13 5.320 -5.361 7.083 1.00 0.00 C ATOM 138 O ILE A 13 6.106 -5.576 6.161 1.00 0.00 O ATOM 139 CB ILE A 13 5.568 -6.408 9.336 1.00 0.00 C ATOM 140 CG1 ILE A 13 5.145 -5.142 10.085 1.00 0.00 C ATOM 141 CG2 ILE A 13 7.075 -6.429 9.129 1.00 0.00 C ATOM 142 CD1 ILE A 13 5.200 -5.285 11.590 1.00 0.00 C ATOM 0 H ILE A 13 5.889 -7.850 6.772 1.00 0.00 H new ATOM 0 HA ILE A 13 3.768 -6.395 8.147 1.00 0.00 H new ATOM 0 HB ILE A 13 5.291 -7.273 9.938 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.791 -4.317 9.782 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.130 -4.877 9.790 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.576 -6.366 10.095 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.361 -7.356 8.632 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.369 -5.580 8.512 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.887 -4.351 12.056 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.533 -6.088 11.904 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.219 -5.520 11.896 1.00 0.00 H new ATOM 154 N MET A 14 4.842 -4.152 7.361 1.00 0.00 N ATOM 155 CA MET A 14 5.226 -2.982 6.580 1.00 0.00 C ATOM 156 C MET A 14 6.026 -2.000 7.430 1.00 0.00 C ATOM 157 O MET A 14 5.706 -1.769 8.596 1.00 0.00 O ATOM 158 CB MET A 14 3.983 -2.291 6.014 1.00 0.00 C ATOM 159 CG MET A 14 3.397 -2.993 4.801 1.00 0.00 C ATOM 160 SD MET A 14 2.147 -2.001 3.961 1.00 0.00 S ATOM 161 CE MET A 14 3.166 -0.721 3.230 1.00 0.00 C ATOM 0 H MET A 14 4.189 -3.957 8.120 1.00 0.00 H new ATOM 0 HA MET A 14 5.855 -3.316 5.755 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.223 -2.234 6.793 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.239 -1.267 5.742 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.198 -3.230 4.101 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.955 -3.940 5.112 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.639 -0.273 2.388 1.00 0.00 H new ATOM 0 HE2 MET A 14 3.377 0.046 3.975 1.00 0.00 H new ATOM 0 HE3 MET A 14 4.103 -1.156 2.882 1.00 0.00 H new ATOM 171 N HIS A 15 7.067 -1.424 6.837 1.00 0.00 N ATOM 172 CA HIS A 15 7.913 -0.466 7.540 1.00 0.00 C ATOM 173 C HIS A 15 7.838 0.910 6.884 1.00 0.00 C ATOM 174 O HIS A 15 7.945 1.032 5.665 1.00 0.00 O ATOM 175 CB HIS A 15 9.362 -0.954 7.564 1.00 0.00 C ATOM 176 CG HIS A 15 9.557 -2.215 8.348 1.00 0.00 C ATOM 177 ND1 HIS A 15 9.275 -2.315 9.694 1.00 0.00 N ATOM 178 CD2 HIS A 15 10.008 -3.433 7.968 1.00 0.00 C ATOM 179 CE1 HIS A 15 9.545 -3.540 10.108 1.00 0.00 C ATOM 180 NE2 HIS A 15 9.991 -4.239 9.080 1.00 0.00 N ATOM 0 H HIS A 15 7.345 -1.604 5.872 1.00 0.00 H new ATOM 0 HA HIS A 15 7.549 -0.381 8.564 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.699 -1.117 6.540 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.993 -0.172 7.987 1.00 0.00 H new ATOM 0 HD2 HIS A 15 10.323 -3.718 6.975 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.422 -3.908 11.116 1.00 0.00 H new ATOM 0 HE2 HIS A 15 10.276 -5.218 9.107 1.00 0.00 H new ATOM 189 N GLN A 16 7.651 1.940 7.702 1.00 0.00 N ATOM 190 CA GLN A 16 7.560 3.306 7.200 1.00 0.00 C ATOM 191 C GLN A 16 8.910 4.011 7.290 1.00 0.00 C ATOM 192 O GLN A 16 9.692 3.762 8.207 1.00 0.00 O ATOM 193 CB GLN A 16 6.508 4.091 7.986 1.00 0.00 C ATOM 194 CG GLN A 16 6.715 5.597 7.943 1.00 0.00 C ATOM 195 CD GLN A 16 5.429 6.369 8.165 1.00 0.00 C ATOM 196 OE1 GLN A 16 5.008 7.121 7.156 1.00 0.00 O flip ATOM 197 NE2 GLN A 16 4.822 6.291 9.233 1.00 0.00 N flip ATOM 0 H GLN A 16 7.560 1.855 8.714 1.00 0.00 H new ATOM 0 HA GLN A 16 7.263 3.262 6.152 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.520 3.857 7.589 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.521 3.760 9.025 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.441 5.882 8.704 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.139 5.874 6.978 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.182 5.700 9.982 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.959 6.817 9.369 1.00 0.00 H new ATOM 206 N VAL A 17 9.177 4.892 6.331 1.00 0.00 N ATOM 207 CA VAL A 17 10.432 5.633 6.302 1.00 0.00 C ATOM 208 C VAL A 17 10.202 7.114 6.581 1.00 0.00 C ATOM 209 O VAL A 17 10.987 7.754 7.281 1.00 0.00 O ATOM 210 CB VAL A 17 11.142 5.482 4.944 1.00 0.00 C ATOM 211 CG1 VAL A 17 12.503 6.161 4.974 1.00 0.00 C ATOM 212 CG2 VAL A 17 11.278 4.012 4.575 1.00 0.00 C ATOM 0 H VAL A 17 8.541 5.110 5.564 1.00 0.00 H new ATOM 0 HA VAL A 17 11.066 5.213 7.083 1.00 0.00 H new ATOM 0 HB VAL A 17 10.536 5.970 4.181 1.00 0.00 H new ATOM 0 HG11 VAL A 17 12.990 6.044 4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.376 7.222 5.190 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.120 5.705 5.748 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.782 3.924 3.613 1.00 0.00 H new ATOM 0 HG22 VAL A 17 11.861 3.498 5.339 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.288 3.560 4.509 1.00 0.00 H new ATOM 222 N SER A 18 9.120 7.653 6.028 1.00 0.00 N ATOM 223 CA SER A 18 8.787 9.061 6.214 1.00 0.00 C ATOM 224 C SER A 18 7.338 9.334 5.821 1.00 0.00 C ATOM 225 O SER A 18 6.604 8.421 5.445 1.00 0.00 O ATOM 226 CB SER A 18 9.726 9.942 5.388 1.00 0.00 C ATOM 227 OG SER A 18 9.737 9.541 4.029 1.00 0.00 O ATOM 0 H SER A 18 8.459 7.136 5.448 1.00 0.00 H new ATOM 0 HA SER A 18 8.910 9.301 7.270 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.411 10.983 5.461 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.735 9.885 5.795 1.00 0.00 H new ATOM 0 HG SER A 18 10.343 10.120 3.522 1.00 0.00 H new ATOM 233 N ALA A 19 6.935 10.597 5.912 1.00 0.00 N ATOM 234 CA ALA A 19 5.575 10.991 5.564 1.00 0.00 C ATOM 235 C ALA A 19 5.414 12.507 5.612 1.00 0.00 C ATOM 236 O ALA A 19 6.028 13.181 6.440 1.00 0.00 O ATOM 237 CB ALA A 19 4.577 10.322 6.497 1.00 0.00 C ATOM 0 H ALA A 19 7.530 11.364 6.223 1.00 0.00 H new ATOM 0 HA ALA A 19 5.377 10.663 4.543 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.566 10.625 6.226 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.667 9.239 6.410 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.782 10.622 7.525 1.00 0.00 H new ATOM 243 N THR A 20 4.585 13.038 4.719 1.00 0.00 N ATOM 244 CA THR A 20 4.345 14.474 4.659 1.00 0.00 C ATOM 245 C THR A 20 2.948 14.819 5.161 1.00 0.00 C ATOM 246 O THR A 20 2.211 13.948 5.622 1.00 0.00 O ATOM 247 CB THR A 20 4.509 15.011 3.224 1.00 0.00 C ATOM 248 OG1 THR A 20 3.688 14.260 2.323 1.00 0.00 O ATOM 249 CG2 THR A 20 5.962 14.932 2.780 1.00 0.00 C ATOM 0 H THR A 20 4.068 12.495 4.027 1.00 0.00 H new ATOM 0 HA THR A 20 5.087 14.946 5.303 1.00 0.00 H new ATOM 0 HB THR A 20 4.198 16.056 3.213 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.526 14.786 1.512 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.053 15.316 1.764 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.580 15.528 3.451 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.295 13.894 2.807 1.00 0.00 H new ATOM 257 N MET A 21 2.589 16.096 5.069 1.00 0.00 N ATOM 258 CA MET A 21 1.278 16.555 5.513 1.00 0.00 C ATOM 259 C MET A 21 0.215 16.267 4.458 1.00 0.00 C ATOM 260 O MET A 21 -0.974 16.189 4.767 1.00 0.00 O ATOM 261 CB MET A 21 1.317 18.053 5.820 1.00 0.00 C ATOM 262 CG MET A 21 1.915 18.380 7.178 1.00 0.00 C ATOM 263 SD MET A 21 1.880 20.145 7.546 1.00 0.00 S ATOM 264 CE MET A 21 0.167 20.530 7.196 1.00 0.00 C ATOM 0 H MET A 21 3.187 16.830 4.691 1.00 0.00 H new ATOM 0 HA MET A 21 1.018 16.012 6.422 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.895 18.559 5.047 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.304 18.452 5.773 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.368 17.841 7.951 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.945 18.026 7.212 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.048 21.551 7.510 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.016 20.434 6.126 1.00 0.00 H new ATOM 0 HE3 MET A 21 -0.479 19.840 7.738 1.00 0.00 H new ATOM 274 N ARG A 22 0.651 16.111 3.212 1.00 0.00 N ATOM 275 CA ARG A 22 -0.264 15.834 2.111 1.00 0.00 C ATOM 276 C ARG A 22 0.057 14.491 1.463 1.00 0.00 C ATOM 277 O ARG A 22 -0.522 14.130 0.438 1.00 0.00 O ATOM 278 CB ARG A 22 -0.191 16.948 1.066 1.00 0.00 C ATOM 279 CG ARG A 22 -0.764 18.271 1.545 1.00 0.00 C ATOM 280 CD ARG A 22 -0.602 19.361 0.496 1.00 0.00 C ATOM 281 NE ARG A 22 -1.479 19.151 -0.653 1.00 0.00 N ATOM 282 CZ ARG A 22 -1.165 18.374 -1.684 1.00 0.00 C ATOM 283 NH1 ARG A 22 -0.003 17.738 -1.710 1.00 0.00 N ATOM 284 NH2 ARG A 22 -2.016 18.233 -2.692 1.00 0.00 N ATOM 0 H ARG A 22 1.632 16.172 2.940 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.276 15.791 2.514 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.850 17.096 0.777 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.728 16.632 0.172 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.821 18.147 1.782 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.264 18.573 2.465 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.818 20.331 0.945 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.435 19.389 0.160 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.381 19.627 -0.665 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.654 17.844 -0.937 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.235 17.142 -2.503 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.911 18.721 -2.676 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.775 17.636 -3.483 1.00 0.00 H new ATOM 298 N SER A 23 0.985 13.755 2.066 1.00 0.00 N ATOM 299 CA SER A 23 1.387 12.453 1.545 1.00 0.00 C ATOM 300 C SER A 23 2.010 11.597 2.643 1.00 0.00 C ATOM 301 O SER A 23 2.146 12.036 3.785 1.00 0.00 O ATOM 302 CB SER A 23 2.379 12.626 0.393 1.00 0.00 C ATOM 303 OG SER A 23 2.146 13.838 -0.304 1.00 0.00 O ATOM 0 H SER A 23 1.473 14.038 2.916 1.00 0.00 H new ATOM 0 HA SER A 23 0.496 11.946 1.175 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.397 12.616 0.782 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.292 11.785 -0.295 1.00 0.00 H new ATOM 0 HG SER A 23 2.794 13.925 -1.034 1.00 0.00 H new ATOM 309 N ILE A 24 2.385 10.373 2.289 1.00 0.00 N ATOM 310 CA ILE A 24 2.994 9.455 3.243 1.00 0.00 C ATOM 311 C ILE A 24 3.917 8.464 2.541 1.00 0.00 C ATOM 312 O ILE A 24 3.574 7.910 1.496 1.00 0.00 O ATOM 313 CB ILE A 24 1.927 8.673 4.032 1.00 0.00 C ATOM 314 CG1 ILE A 24 1.003 9.640 4.777 1.00 0.00 C ATOM 315 CG2 ILE A 24 2.588 7.708 5.005 1.00 0.00 C ATOM 316 CD1 ILE A 24 -0.067 8.946 5.591 1.00 0.00 C ATOM 0 H ILE A 24 2.278 9.994 1.348 1.00 0.00 H new ATOM 0 HA ILE A 24 3.576 10.062 3.937 1.00 0.00 H new ATOM 0 HB ILE A 24 1.327 8.095 3.329 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.602 10.266 5.438 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.526 10.303 4.055 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.821 7.163 5.555 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.209 7.002 4.453 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.209 8.266 5.706 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.684 9.692 6.092 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.691 8.342 4.932 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.402 8.304 6.336 1.00 0.00 H new ATOM 328 N THR A 25 5.092 8.244 3.123 1.00 0.00 N ATOM 329 CA THR A 25 6.065 7.320 2.554 1.00 0.00 C ATOM 330 C THR A 25 6.123 6.022 3.352 1.00 0.00 C ATOM 331 O THR A 25 6.151 6.039 4.583 1.00 0.00 O ATOM 332 CB THR A 25 7.473 7.944 2.509 1.00 0.00 C ATOM 333 OG1 THR A 25 7.380 9.340 2.204 1.00 0.00 O ATOM 334 CG2 THR A 25 8.340 7.249 1.471 1.00 0.00 C ATOM 0 H THR A 25 5.393 8.693 3.988 1.00 0.00 H new ATOM 0 HA THR A 25 5.738 7.104 1.537 1.00 0.00 H new ATOM 0 HB THR A 25 7.935 7.817 3.488 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.084 9.827 2.681 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.329 7.707 1.458 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.433 6.193 1.723 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.881 7.349 0.488 1.00 0.00 H new ATOM 342 N LEU A 26 6.140 4.899 2.644 1.00 0.00 N ATOM 343 CA LEU A 26 6.195 3.590 3.287 1.00 0.00 C ATOM 344 C LEU A 26 7.175 2.670 2.566 1.00 0.00 C ATOM 345 O LEU A 26 7.681 3.003 1.494 1.00 0.00 O ATOM 346 CB LEU A 26 4.804 2.954 3.311 1.00 0.00 C ATOM 347 CG LEU A 26 3.664 3.850 3.795 1.00 0.00 C ATOM 348 CD1 LEU A 26 2.317 3.250 3.421 1.00 0.00 C ATOM 349 CD2 LEU A 26 3.755 4.065 5.298 1.00 0.00 C ATOM 0 H LEU A 26 6.117 4.868 1.625 1.00 0.00 H new ATOM 0 HA LEU A 26 6.542 3.729 4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.566 2.610 2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.841 2.071 3.949 1.00 0.00 H new ATOM 0 HG LEU A 26 3.756 4.819 3.304 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.518 3.902 3.774 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.252 3.149 2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.215 2.268 3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.935 4.705 5.624 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.690 3.104 5.808 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.705 4.540 5.541 1.00 0.00 H new ATOM 361 N SER A 27 7.437 1.511 3.161 1.00 0.00 N ATOM 362 CA SER A 27 8.358 0.543 2.576 1.00 0.00 C ATOM 363 C SER A 27 8.086 -0.859 3.114 1.00 0.00 C ATOM 364 O SER A 27 7.660 -1.025 4.257 1.00 0.00 O ATOM 365 CB SER A 27 9.805 0.942 2.870 1.00 0.00 C ATOM 366 OG SER A 27 10.187 0.550 4.177 1.00 0.00 O ATOM 0 H SER A 27 7.025 1.219 4.047 1.00 0.00 H new ATOM 0 HA SER A 27 8.202 0.536 1.497 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.469 0.479 2.140 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.917 2.021 2.763 1.00 0.00 H new ATOM 0 HG SER A 27 9.448 0.719 4.798 1.00 0.00 H new ATOM 372 N TRP A 28 8.336 -1.863 2.282 1.00 0.00 N ATOM 373 CA TRP A 28 8.119 -3.251 2.673 1.00 0.00 C ATOM 374 C TRP A 28 9.182 -4.161 2.067 1.00 0.00 C ATOM 375 O TRP A 28 9.665 -3.936 0.957 1.00 0.00 O ATOM 376 CB TRP A 28 6.727 -3.713 2.239 1.00 0.00 C ATOM 377 CG TRP A 28 6.483 -3.561 0.768 1.00 0.00 C ATOM 378 CD1 TRP A 28 6.607 -4.529 -0.188 1.00 0.00 C ATOM 379 CD2 TRP A 28 6.075 -2.371 0.085 1.00 0.00 C ATOM 380 NE1 TRP A 28 6.301 -4.012 -1.423 1.00 0.00 N ATOM 381 CE2 TRP A 28 5.970 -2.690 -1.283 1.00 0.00 C ATOM 382 CE3 TRP A 28 5.785 -1.067 0.497 1.00 0.00 C ATOM 383 CZ2 TRP A 28 5.590 -1.752 -2.239 1.00 0.00 C ATOM 384 CZ3 TRP A 28 5.408 -0.137 -0.453 1.00 0.00 C ATOM 385 CH2 TRP A 28 5.312 -0.483 -1.808 1.00 0.00 C ATOM 0 H TRP A 28 8.689 -1.742 1.333 1.00 0.00 H new ATOM 0 HA TRP A 28 8.192 -3.312 3.759 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.597 -4.759 2.516 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.976 -3.143 2.786 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.902 -5.551 -0.000 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.318 -4.529 -2.302 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.854 -0.791 1.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 5.517 -2.016 -3.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.183 0.874 -0.146 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.013 0.266 -2.526 1.00 0.00 H new ATOM 396 N PRO A 29 9.555 -5.213 2.809 1.00 0.00 N ATOM 397 CA PRO A 29 10.565 -6.178 2.363 1.00 0.00 C ATOM 398 C PRO A 29 10.070 -7.044 1.209 1.00 0.00 C ATOM 399 O PRO A 29 8.873 -7.303 1.086 1.00 0.00 O ATOM 400 CB PRO A 29 10.810 -7.036 3.607 1.00 0.00 C ATOM 401 CG PRO A 29 9.552 -6.927 4.396 1.00 0.00 C ATOM 402 CD PRO A 29 9.021 -5.543 4.141 1.00 0.00 C ATOM 0 HA PRO A 29 11.460 -5.685 1.985 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.021 -8.071 3.339 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.666 -6.674 4.175 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.831 -7.684 4.088 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.743 -7.082 5.458 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.931 -5.522 4.154 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.362 -4.836 4.897 1.00 0.00 H new ATOM 410 N GLN A 30 10.998 -7.487 0.367 1.00 0.00 N ATOM 411 CA GLN A 30 10.654 -8.323 -0.777 1.00 0.00 C ATOM 412 C GLN A 30 10.461 -9.775 -0.352 1.00 0.00 C ATOM 413 O GLN A 30 11.256 -10.338 0.400 1.00 0.00 O ATOM 414 CB GLN A 30 11.744 -8.233 -1.847 1.00 0.00 C ATOM 415 CG GLN A 30 11.254 -8.575 -3.245 1.00 0.00 C ATOM 416 CD GLN A 30 12.340 -8.439 -4.293 1.00 0.00 C ATOM 417 OE1 GLN A 30 13.474 -8.072 -3.985 1.00 0.00 O ATOM 418 NE2 GLN A 30 11.998 -8.736 -5.542 1.00 0.00 N ATOM 0 H GLN A 30 11.993 -7.281 0.455 1.00 0.00 H new ATOM 0 HA GLN A 30 9.715 -7.958 -1.193 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.154 -7.223 -1.852 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.559 -8.907 -1.582 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.873 -9.596 -3.253 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.421 -7.922 -3.504 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.046 -9.036 -5.752 1.00 0.00 H new ATOM 0 HE22 GLN A 30 12.687 -8.664 -6.290 1.00 0.00 H new ATOM 427 N PRO A 31 9.378 -10.396 -0.842 1.00 0.00 N ATOM 428 CA PRO A 31 9.055 -11.791 -0.527 1.00 0.00 C ATOM 429 C PRO A 31 10.030 -12.771 -1.169 1.00 0.00 C ATOM 430 O PRO A 31 10.754 -12.420 -2.099 1.00 0.00 O ATOM 431 CB PRO A 31 7.652 -11.971 -1.112 1.00 0.00 C ATOM 432 CG PRO A 31 7.563 -10.958 -2.201 1.00 0.00 C ATOM 433 CD PRO A 31 8.386 -9.786 -1.744 1.00 0.00 C ATOM 0 HA PRO A 31 9.114 -11.992 0.543 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.510 -12.981 -1.498 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.884 -11.808 -0.356 1.00 0.00 H new ATOM 0 HG2 PRO A 31 7.944 -11.360 -3.140 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.528 -10.664 -2.377 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.864 -9.279 -2.583 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.777 -9.044 -1.228 1.00 0.00 H new ATOM 441 N GLU A 32 10.042 -14.002 -0.665 1.00 0.00 N ATOM 442 CA GLU A 32 10.929 -15.033 -1.191 1.00 0.00 C ATOM 443 C GLU A 32 10.143 -16.082 -1.971 1.00 0.00 C ATOM 444 O GLU A 32 10.715 -16.862 -2.732 1.00 0.00 O ATOM 445 CB GLU A 32 11.702 -15.701 -0.052 1.00 0.00 C ATOM 446 CG GLU A 32 10.827 -16.534 0.870 1.00 0.00 C ATOM 447 CD GLU A 32 11.492 -16.824 2.202 1.00 0.00 C ATOM 448 OE1 GLU A 32 12.098 -15.896 2.777 1.00 0.00 O ATOM 449 OE2 GLU A 32 11.407 -17.979 2.668 1.00 0.00 O ATOM 0 H GLU A 32 9.448 -14.309 0.106 1.00 0.00 H new ATOM 0 HA GLU A 32 11.636 -14.556 -1.870 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.479 -16.338 -0.476 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.205 -14.932 0.535 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.887 -16.010 1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.581 -17.475 0.379 1.00 0.00 H new ATOM 456 N GLN A 33 8.828 -16.094 -1.775 1.00 0.00 N ATOM 457 CA GLN A 33 7.963 -17.048 -2.459 1.00 0.00 C ATOM 458 C GLN A 33 6.952 -16.328 -3.345 1.00 0.00 C ATOM 459 O GLN A 33 5.741 -16.507 -3.219 1.00 0.00 O ATOM 460 CB GLN A 33 7.233 -17.927 -1.442 1.00 0.00 C ATOM 461 CG GLN A 33 8.122 -18.975 -0.793 1.00 0.00 C ATOM 462 CD GLN A 33 8.394 -20.155 -1.705 1.00 0.00 C ATOM 463 OE1 GLN A 33 9.234 -20.081 -2.602 1.00 0.00 O ATOM 464 NE2 GLN A 33 7.683 -21.253 -1.480 1.00 0.00 N ATOM 0 H GLN A 33 8.339 -15.454 -1.149 1.00 0.00 H new ATOM 0 HA GLN A 33 8.588 -17.679 -3.091 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.808 -17.292 -0.665 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.400 -18.426 -1.937 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.068 -18.516 -0.507 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.650 -19.330 0.123 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.997 -21.271 -0.725 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.823 -22.079 -2.062 1.00 0.00 H new ATOM 473 N PRO A 34 7.459 -15.492 -4.264 1.00 0.00 N ATOM 474 CA PRO A 34 6.618 -14.728 -5.189 1.00 0.00 C ATOM 475 C PRO A 34 5.943 -15.617 -6.228 1.00 0.00 C ATOM 476 O PRO A 34 5.207 -15.134 -7.087 1.00 0.00 O ATOM 477 CB PRO A 34 7.607 -13.773 -5.863 1.00 0.00 C ATOM 478 CG PRO A 34 8.925 -14.461 -5.762 1.00 0.00 C ATOM 479 CD PRO A 34 8.893 -15.229 -4.469 1.00 0.00 C ATOM 0 HA PRO A 34 5.801 -14.223 -4.674 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.335 -13.589 -6.902 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.626 -12.805 -5.363 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.083 -15.129 -6.609 1.00 0.00 H new ATOM 0 HG3 PRO A 34 9.743 -13.740 -5.768 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.466 -16.154 -4.537 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.317 -14.651 -3.648 1.00 0.00 H new ATOM 487 N ASN A 35 6.200 -16.918 -6.143 1.00 0.00 N ATOM 488 CA ASN A 35 5.617 -17.875 -7.076 1.00 0.00 C ATOM 489 C ASN A 35 5.783 -17.400 -8.517 1.00 0.00 C ATOM 490 O ASN A 35 4.895 -17.584 -9.348 1.00 0.00 O ATOM 491 CB ASN A 35 4.134 -18.085 -6.765 1.00 0.00 C ATOM 492 CG ASN A 35 3.918 -18.931 -5.525 1.00 0.00 C ATOM 493 OD1 ASN A 35 3.244 -19.960 -5.572 1.00 0.00 O ATOM 494 ND2 ASN A 35 4.490 -18.499 -4.407 1.00 0.00 N ATOM 0 H ASN A 35 6.808 -17.334 -5.438 1.00 0.00 H new ATOM 0 HA ASN A 35 6.143 -18.823 -6.961 1.00 0.00 H new ATOM 0 HB2 ASN A 35 3.653 -17.116 -6.629 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.651 -18.564 -7.617 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.379 -19.026 -3.541 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.040 -17.640 -4.415 1.00 0.00 H new ATOM 501 N GLY A 36 6.928 -16.787 -8.804 1.00 0.00 N ATOM 502 CA GLY A 36 7.190 -16.296 -10.144 1.00 0.00 C ATOM 503 C GLY A 36 7.875 -14.943 -10.141 1.00 0.00 C ATOM 504 O GLY A 36 8.637 -14.628 -9.227 1.00 0.00 O ATOM 0 H GLY A 36 7.678 -16.622 -8.133 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.814 -17.015 -10.676 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.250 -16.223 -10.691 1.00 0.00 H new ATOM 508 N ILE A 37 7.604 -14.143 -11.167 1.00 0.00 N ATOM 509 CA ILE A 37 8.200 -12.817 -11.279 1.00 0.00 C ATOM 510 C ILE A 37 7.207 -11.732 -10.877 1.00 0.00 C ATOM 511 O ILE A 37 6.140 -11.599 -11.477 1.00 0.00 O ATOM 512 CB ILE A 37 8.692 -12.541 -12.712 1.00 0.00 C ATOM 513 CG1 ILE A 37 9.655 -13.641 -13.165 1.00 0.00 C ATOM 514 CG2 ILE A 37 9.363 -11.178 -12.788 1.00 0.00 C ATOM 515 CD1 ILE A 37 9.650 -13.871 -14.660 1.00 0.00 C ATOM 0 H ILE A 37 6.976 -14.390 -11.932 1.00 0.00 H new ATOM 0 HA ILE A 37 9.052 -12.796 -10.600 1.00 0.00 H new ATOM 0 HB ILE A 37 7.832 -12.539 -13.382 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.665 -13.381 -12.849 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.393 -14.572 -12.662 1.00 0.00 H new ATOM 0 HG21 ILE A 37 9.705 -10.997 -13.807 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.650 -10.405 -12.502 1.00 0.00 H new ATOM 0 HG23 ILE A 37 10.215 -11.154 -12.109 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.356 -14.664 -14.909 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.650 -14.162 -14.980 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.941 -12.953 -15.170 1.00 0.00 H new ATOM 527 N ILE A 38 7.566 -10.958 -9.859 1.00 0.00 N ATOM 528 CA ILE A 38 6.708 -9.882 -9.378 1.00 0.00 C ATOM 529 C ILE A 38 6.710 -8.703 -10.346 1.00 0.00 C ATOM 530 O ILE A 38 7.674 -7.940 -10.409 1.00 0.00 O ATOM 531 CB ILE A 38 7.147 -9.390 -7.986 1.00 0.00 C ATOM 532 CG1 ILE A 38 7.151 -10.551 -6.989 1.00 0.00 C ATOM 533 CG2 ILE A 38 6.232 -8.275 -7.505 1.00 0.00 C ATOM 534 CD1 ILE A 38 7.991 -10.287 -5.759 1.00 0.00 C ATOM 0 H ILE A 38 8.445 -11.056 -9.351 1.00 0.00 H new ATOM 0 HA ILE A 38 5.700 -10.290 -9.308 1.00 0.00 H new ATOM 0 HB ILE A 38 8.160 -8.995 -8.059 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.126 -10.759 -6.682 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.522 -11.446 -7.488 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.555 -7.938 -6.520 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.275 -7.441 -8.206 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.209 -8.645 -7.444 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.948 -11.151 -5.097 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.025 -10.108 -6.056 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.607 -9.411 -5.237 1.00 0.00 H new ATOM 546 N LEU A 39 5.623 -8.559 -11.096 1.00 0.00 N ATOM 547 CA LEU A 39 5.498 -7.472 -12.060 1.00 0.00 C ATOM 548 C LEU A 39 5.579 -6.116 -11.365 1.00 0.00 C ATOM 549 O LEU A 39 6.512 -5.346 -11.592 1.00 0.00 O ATOM 550 CB LEU A 39 4.177 -7.589 -12.823 1.00 0.00 C ATOM 551 CG LEU A 39 3.865 -8.963 -13.416 1.00 0.00 C ATOM 552 CD1 LEU A 39 2.365 -9.139 -13.594 1.00 0.00 C ATOM 553 CD2 LEU A 39 4.586 -9.147 -14.743 1.00 0.00 C ATOM 0 H LEU A 39 4.816 -9.181 -11.055 1.00 0.00 H new ATOM 0 HA LEU A 39 6.325 -7.548 -12.765 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.366 -7.313 -12.149 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.182 -6.859 -13.632 1.00 0.00 H new ATOM 0 HG LEU A 39 4.220 -9.726 -12.723 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.162 -10.123 -14.017 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.871 -9.051 -12.626 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.986 -8.369 -14.266 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.352 -10.131 -15.151 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.261 -8.377 -15.443 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.662 -9.065 -14.587 1.00 0.00 H new ATOM 565 N ASP A 40 4.596 -5.833 -10.517 1.00 0.00 N ATOM 566 CA ASP A 40 4.557 -4.572 -9.786 1.00 0.00 C ATOM 567 C ASP A 40 3.873 -4.748 -8.434 1.00 0.00 C ATOM 568 O ASP A 40 3.187 -5.743 -8.200 1.00 0.00 O ATOM 569 CB ASP A 40 3.828 -3.505 -10.605 1.00 0.00 C ATOM 570 CG ASP A 40 2.690 -4.082 -11.424 1.00 0.00 C ATOM 571 OD1 ASP A 40 1.605 -4.312 -10.851 1.00 0.00 O ATOM 572 OD2 ASP A 40 2.884 -4.303 -12.638 1.00 0.00 O ATOM 0 H ASP A 40 3.816 -6.460 -10.319 1.00 0.00 H new ATOM 0 HA ASP A 40 5.584 -4.249 -9.614 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.438 -2.740 -9.934 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.538 -3.014 -11.270 1.00 0.00 H new ATOM 577 N TYR A 41 4.066 -3.778 -7.548 1.00 0.00 N ATOM 578 CA TYR A 41 3.471 -3.828 -6.218 1.00 0.00 C ATOM 579 C TYR A 41 2.293 -2.863 -6.112 1.00 0.00 C ATOM 580 O TYR A 41 2.455 -1.652 -6.252 1.00 0.00 O ATOM 581 CB TYR A 41 4.518 -3.491 -5.155 1.00 0.00 C ATOM 582 CG TYR A 41 5.533 -4.590 -4.936 1.00 0.00 C ATOM 583 CD1 TYR A 41 5.284 -5.627 -4.046 1.00 0.00 C ATOM 584 CD2 TYR A 41 6.742 -4.591 -5.621 1.00 0.00 C ATOM 585 CE1 TYR A 41 6.209 -6.632 -3.843 1.00 0.00 C ATOM 586 CE2 TYR A 41 7.673 -5.592 -5.425 1.00 0.00 C ATOM 587 CZ TYR A 41 7.402 -6.610 -4.535 1.00 0.00 C ATOM 588 OH TYR A 41 8.326 -7.611 -4.336 1.00 0.00 O ATOM 0 H TYR A 41 4.630 -2.947 -7.727 1.00 0.00 H new ATOM 0 HA TYR A 41 3.105 -4.841 -6.049 1.00 0.00 H new ATOM 0 HB2 TYR A 41 5.039 -2.579 -5.447 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.012 -3.282 -4.212 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.351 -5.648 -3.503 1.00 0.00 H new ATOM 0 HD2 TYR A 41 6.957 -3.795 -6.319 1.00 0.00 H new ATOM 0 HE1 TYR A 41 6.000 -7.430 -3.147 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.608 -5.578 -5.966 1.00 0.00 H new ATOM 0 HH TYR A 41 8.842 -7.748 -5.158 1.00 0.00 H new ATOM 598 N GLU A 42 1.108 -3.412 -5.861 1.00 0.00 N ATOM 599 CA GLU A 42 -0.097 -2.600 -5.736 1.00 0.00 C ATOM 600 C GLU A 42 -0.343 -2.213 -4.281 1.00 0.00 C ATOM 601 O GLU A 42 -0.012 -2.964 -3.363 1.00 0.00 O ATOM 602 CB GLU A 42 -1.308 -3.358 -6.285 1.00 0.00 C ATOM 603 CG GLU A 42 -2.527 -2.479 -6.505 1.00 0.00 C ATOM 604 CD GLU A 42 -3.451 -3.020 -7.579 1.00 0.00 C ATOM 605 OE1 GLU A 42 -2.964 -3.307 -8.692 1.00 0.00 O ATOM 606 OE2 GLU A 42 -4.662 -3.158 -7.305 1.00 0.00 O ATOM 0 H GLU A 42 0.957 -4.414 -5.740 1.00 0.00 H new ATOM 0 HA GLU A 42 0.047 -1.689 -6.317 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.034 -3.828 -7.230 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.568 -4.160 -5.594 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.078 -2.388 -5.569 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.202 -1.476 -6.782 1.00 0.00 H new ATOM 613 N ILE A 43 -0.925 -1.035 -4.079 1.00 0.00 N ATOM 614 CA ILE A 43 -1.215 -0.548 -2.736 1.00 0.00 C ATOM 615 C ILE A 43 -2.642 -0.018 -2.640 1.00 0.00 C ATOM 616 O ILE A 43 -3.182 0.517 -3.608 1.00 0.00 O ATOM 617 CB ILE A 43 -0.237 0.566 -2.317 1.00 0.00 C ATOM 618 CG1 ILE A 43 1.182 0.007 -2.193 1.00 0.00 C ATOM 619 CG2 ILE A 43 -0.682 1.195 -1.006 1.00 0.00 C ATOM 620 CD1 ILE A 43 1.978 0.087 -3.477 1.00 0.00 C ATOM 0 H ILE A 43 -1.205 -0.401 -4.828 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.098 -1.396 -2.061 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.237 1.339 -3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.712 0.553 -1.412 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.127 -1.034 -1.873 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.019 1.980 -0.723 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.677 1.623 -1.127 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.707 0.433 -0.227 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.973 -0.327 -3.315 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.471 -0.483 -4.256 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.064 1.128 -3.787 1.00 0.00 H new ATOM 632 N ARG A 44 -3.246 -0.170 -1.467 1.00 0.00 N ATOM 633 CA ARG A 44 -4.611 0.293 -1.244 1.00 0.00 C ATOM 634 C ARG A 44 -4.704 1.111 0.041 1.00 0.00 C ATOM 635 O ARG A 44 -4.343 0.637 1.118 1.00 0.00 O ATOM 636 CB ARG A 44 -5.571 -0.895 -1.175 1.00 0.00 C ATOM 637 CG ARG A 44 -7.007 -0.501 -0.873 1.00 0.00 C ATOM 638 CD ARG A 44 -7.830 -1.697 -0.420 1.00 0.00 C ATOM 639 NE ARG A 44 -7.796 -2.785 -1.393 1.00 0.00 N ATOM 640 CZ ARG A 44 -8.582 -3.854 -1.328 1.00 0.00 C ATOM 641 NH1 ARG A 44 -9.459 -3.977 -0.342 1.00 0.00 N ATOM 642 NH2 ARG A 44 -8.493 -4.802 -2.252 1.00 0.00 N ATOM 0 H ARG A 44 -2.812 -0.610 -0.656 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.893 0.930 -2.082 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.542 -1.430 -2.124 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.224 -1.587 -0.408 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.020 0.265 -0.098 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.460 -0.062 -1.762 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.452 -2.055 0.538 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.862 -1.387 -0.259 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.132 -2.721 -2.165 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.532 -3.250 0.369 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.061 -4.799 -0.295 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.820 -4.711 -3.013 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.097 -5.622 -2.201 1.00 0.00 H new ATOM 656 N TYR A 45 -5.190 2.341 -0.081 1.00 0.00 N ATOM 657 CA TYR A 45 -5.328 3.226 1.070 1.00 0.00 C ATOM 658 C TYR A 45 -6.723 3.841 1.120 1.00 0.00 C ATOM 659 O TYR A 45 -7.308 4.166 0.086 1.00 0.00 O ATOM 660 CB TYR A 45 -4.273 4.332 1.019 1.00 0.00 C ATOM 661 CG TYR A 45 -4.336 5.172 -0.237 1.00 0.00 C ATOM 662 CD1 TYR A 45 -3.699 4.764 -1.402 1.00 0.00 C ATOM 663 CD2 TYR A 45 -5.033 6.374 -0.257 1.00 0.00 C ATOM 664 CE1 TYR A 45 -3.753 5.529 -2.551 1.00 0.00 C ATOM 665 CE2 TYR A 45 -5.094 7.144 -1.403 1.00 0.00 C ATOM 666 CZ TYR A 45 -4.453 6.718 -2.547 1.00 0.00 C ATOM 667 OH TYR A 45 -4.510 7.483 -3.689 1.00 0.00 O ATOM 0 H TYR A 45 -5.495 2.748 -0.965 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.179 2.633 1.972 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.397 4.981 1.886 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.283 3.882 1.096 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.152 3.833 -1.410 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.535 6.712 0.637 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.250 5.198 -3.448 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.641 8.075 -1.402 1.00 0.00 H new ATOM 0 HH TYR A 45 -5.043 8.287 -3.518 1.00 0.00 H new ATOM 677 N TYR A 46 -7.250 3.998 2.329 1.00 0.00 N ATOM 678 CA TYR A 46 -8.578 4.572 2.516 1.00 0.00 C ATOM 679 C TYR A 46 -8.715 5.187 3.905 1.00 0.00 C ATOM 680 O TYR A 46 -7.983 4.831 4.828 1.00 0.00 O ATOM 681 CB TYR A 46 -9.652 3.503 2.310 1.00 0.00 C ATOM 682 CG TYR A 46 -9.576 2.368 3.307 1.00 0.00 C ATOM 683 CD1 TYR A 46 -9.858 2.578 4.651 1.00 0.00 C ATOM 684 CD2 TYR A 46 -9.221 1.087 2.904 1.00 0.00 C ATOM 685 CE1 TYR A 46 -9.789 1.544 5.565 1.00 0.00 C ATOM 686 CE2 TYR A 46 -9.151 0.047 3.810 1.00 0.00 C ATOM 687 CZ TYR A 46 -9.435 0.280 5.140 1.00 0.00 C ATOM 688 OH TYR A 46 -9.366 -0.752 6.047 1.00 0.00 O ATOM 0 H TYR A 46 -6.778 3.736 3.195 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.713 5.360 1.775 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.635 3.970 2.378 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.560 3.097 1.303 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -10.136 3.566 4.987 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.996 0.901 1.864 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.011 1.724 6.606 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.875 -0.943 3.479 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.104 -1.576 5.586 1.00 0.00 H new ATOM 698 N GLU A 47 -9.659 6.112 4.045 1.00 0.00 N ATOM 699 CA GLU A 47 -9.892 6.777 5.322 1.00 0.00 C ATOM 700 C GLU A 47 -10.350 5.778 6.380 1.00 0.00 C ATOM 701 O GLU A 47 -11.327 5.054 6.186 1.00 0.00 O ATOM 702 CB GLU A 47 -10.938 7.883 5.162 1.00 0.00 C ATOM 703 CG GLU A 47 -10.425 9.103 4.417 1.00 0.00 C ATOM 704 CD GLU A 47 -11.489 10.168 4.238 1.00 0.00 C ATOM 705 OE1 GLU A 47 -11.773 10.894 5.214 1.00 0.00 O ATOM 706 OE2 GLU A 47 -12.039 10.275 3.122 1.00 0.00 O ATOM 0 H GLU A 47 -10.274 6.418 3.291 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.951 7.220 5.649 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.801 7.481 4.632 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.284 8.190 6.149 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.580 9.527 4.960 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.054 8.797 3.439 1.00 0.00 H new ATOM 713 N LYS A 48 -9.637 5.743 7.500 1.00 0.00 N ATOM 714 CA LYS A 48 -9.968 4.834 8.591 1.00 0.00 C ATOM 715 C LYS A 48 -11.477 4.761 8.799 1.00 0.00 C ATOM 716 O LYS A 48 -12.007 3.728 9.209 1.00 0.00 O ATOM 717 CB LYS A 48 -9.285 5.285 9.884 1.00 0.00 C ATOM 718 CG LYS A 48 -9.318 4.241 10.986 1.00 0.00 C ATOM 719 CD LYS A 48 -8.271 4.521 12.052 1.00 0.00 C ATOM 720 CE LYS A 48 -8.754 5.567 13.046 1.00 0.00 C ATOM 721 NZ LYS A 48 -9.897 5.070 13.861 1.00 0.00 N ATOM 0 H LYS A 48 -8.825 6.334 7.676 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.607 3.841 8.325 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.248 5.539 9.667 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.768 6.194 10.242 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.308 4.224 11.443 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.147 3.253 10.558 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.032 3.598 12.580 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.351 4.864 11.579 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.933 5.848 13.705 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.055 6.467 12.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.949 5.608 14.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.782 5.193 13.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.759 4.062 14.074 1.00 0.00 H new ATOM 735 N GLU A 49 -12.164 5.863 8.513 1.00 0.00 N ATOM 736 CA GLU A 49 -13.612 5.922 8.669 1.00 0.00 C ATOM 737 C GLU A 49 -14.315 5.316 7.457 1.00 0.00 C ATOM 738 O GLU A 49 -15.358 4.675 7.587 1.00 0.00 O ATOM 739 CB GLU A 49 -14.068 7.369 8.865 1.00 0.00 C ATOM 740 CG GLU A 49 -13.560 7.998 10.152 1.00 0.00 C ATOM 741 CD GLU A 49 -14.019 9.433 10.321 1.00 0.00 C ATOM 742 OE1 GLU A 49 -15.222 9.700 10.116 1.00 0.00 O ATOM 743 OE2 GLU A 49 -13.175 10.289 10.660 1.00 0.00 O ATOM 0 H GLU A 49 -11.741 6.726 8.172 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.880 5.341 9.552 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.727 7.966 8.019 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.157 7.402 8.860 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.905 7.408 11.001 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.471 7.965 10.163 1.00 0.00 H new ATOM 750 N HIS A 50 -13.736 5.525 6.279 1.00 0.00 N ATOM 751 CA HIS A 50 -14.306 5.000 5.044 1.00 0.00 C ATOM 752 C HIS A 50 -14.061 3.498 4.927 1.00 0.00 C ATOM 753 O HIS A 50 -13.372 2.906 5.757 1.00 0.00 O ATOM 754 CB HIS A 50 -13.709 5.721 3.835 1.00 0.00 C ATOM 755 CG HIS A 50 -14.250 7.103 3.634 1.00 0.00 C ATOM 756 ND1 HIS A 50 -14.624 7.593 2.401 1.00 0.00 N ATOM 757 CD2 HIS A 50 -14.482 8.100 4.520 1.00 0.00 C ATOM 758 CE1 HIS A 50 -15.060 8.833 2.536 1.00 0.00 C ATOM 759 NE2 HIS A 50 -14.985 9.164 3.813 1.00 0.00 N ATOM 0 H HIS A 50 -12.873 6.054 6.154 1.00 0.00 H new ATOM 0 HA HIS A 50 -15.382 5.174 5.067 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.627 5.777 3.954 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -13.901 5.131 2.939 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -14.304 8.065 5.585 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -15.417 9.468 1.738 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -15.257 10.064 4.209 1.00 0.00 H new ATOM 768 N ASN A 51 -14.630 2.889 3.892 1.00 0.00 N ATOM 769 CA ASN A 51 -14.474 1.456 3.668 1.00 0.00 C ATOM 770 C ASN A 51 -13.684 1.188 2.391 1.00 0.00 C ATOM 771 O ASN A 51 -13.272 2.118 1.698 1.00 0.00 O ATOM 772 CB ASN A 51 -15.844 0.780 3.586 1.00 0.00 C ATOM 773 CG ASN A 51 -16.717 1.095 4.785 1.00 0.00 C ATOM 774 OD1 ASN A 51 -16.268 1.029 5.929 1.00 0.00 O ATOM 775 ND2 ASN A 51 -17.973 1.440 4.528 1.00 0.00 N ATOM 0 H ASN A 51 -15.203 3.365 3.195 1.00 0.00 H new ATOM 0 HA ASN A 51 -13.921 1.039 4.510 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -16.351 1.102 2.676 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -15.710 -0.299 3.511 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -18.608 1.663 5.295 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -18.303 1.482 3.564 1.00 0.00 H new ATOM 782 N GLU A 52 -13.479 -0.089 2.086 1.00 0.00 N ATOM 783 CA GLU A 52 -12.739 -0.479 0.891 1.00 0.00 C ATOM 784 C GLU A 52 -13.415 0.057 -0.367 1.00 0.00 C ATOM 785 O GLU A 52 -12.768 0.663 -1.222 1.00 0.00 O ATOM 786 CB GLU A 52 -12.622 -2.003 0.811 1.00 0.00 C ATOM 787 CG GLU A 52 -11.643 -2.592 1.812 1.00 0.00 C ATOM 788 CD GLU A 52 -12.222 -2.684 3.210 1.00 0.00 C ATOM 789 OE1 GLU A 52 -13.450 -2.874 3.332 1.00 0.00 O ATOM 790 OE2 GLU A 52 -11.447 -2.566 4.183 1.00 0.00 O ATOM 0 H GLU A 52 -13.814 -0.871 2.649 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.740 -0.048 0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -13.605 -2.443 0.975 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.312 -2.283 -0.196 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -11.344 -3.586 1.480 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.741 -1.980 1.836 1.00 0.00 H new ATOM 797 N PHE A 53 -14.720 -0.170 -0.473 1.00 0.00 N ATOM 798 CA PHE A 53 -15.484 0.289 -1.627 1.00 0.00 C ATOM 799 C PHE A 53 -14.975 1.642 -2.114 1.00 0.00 C ATOM 800 O PHE A 53 -14.604 1.796 -3.277 1.00 0.00 O ATOM 801 CB PHE A 53 -16.970 0.387 -1.275 1.00 0.00 C ATOM 802 CG PHE A 53 -17.652 -0.947 -1.178 1.00 0.00 C ATOM 803 CD1 PHE A 53 -18.101 -1.595 -2.318 1.00 0.00 C ATOM 804 CD2 PHE A 53 -17.846 -1.554 0.053 1.00 0.00 C ATOM 805 CE1 PHE A 53 -18.729 -2.824 -2.232 1.00 0.00 C ATOM 806 CE2 PHE A 53 -18.473 -2.782 0.144 1.00 0.00 C ATOM 807 CZ PHE A 53 -18.916 -3.417 -0.999 1.00 0.00 C ATOM 0 H PHE A 53 -15.270 -0.669 0.226 1.00 0.00 H new ATOM 0 HA PHE A 53 -15.354 -0.438 -2.429 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -17.076 0.910 -0.325 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -17.475 0.990 -2.029 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -17.959 -1.135 -3.285 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -17.503 -1.062 0.951 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -19.073 -3.319 -3.128 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -18.616 -3.245 1.109 1.00 0.00 H new ATOM 0 HZ PHE A 53 -19.408 -4.376 -0.929 1.00 0.00 H new ATOM 817 N ASN A 54 -14.961 2.621 -1.215 1.00 0.00 N ATOM 818 CA ASN A 54 -14.499 3.962 -1.552 1.00 0.00 C ATOM 819 C ASN A 54 -13.045 4.158 -1.133 1.00 0.00 C ATOM 820 O ASN A 54 -12.751 4.911 -0.205 1.00 0.00 O ATOM 821 CB ASN A 54 -15.381 5.014 -0.876 1.00 0.00 C ATOM 822 CG ASN A 54 -16.563 5.417 -1.737 1.00 0.00 C ATOM 823 OD1 ASN A 54 -16.920 4.719 -2.687 1.00 0.00 O ATOM 824 ND2 ASN A 54 -17.176 6.548 -1.408 1.00 0.00 N ATOM 0 H ASN A 54 -15.264 2.510 -0.247 1.00 0.00 H new ATOM 0 HA ASN A 54 -14.567 4.081 -2.633 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.744 4.623 0.075 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.782 5.896 -0.650 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -17.977 6.870 -1.951 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -16.846 7.094 -0.613 1.00 0.00 H new ATOM 831 N SER A 55 -12.138 3.474 -1.825 1.00 0.00 N ATOM 832 CA SER A 55 -10.715 3.570 -1.523 1.00 0.00 C ATOM 833 C SER A 55 -9.909 3.851 -2.788 1.00 0.00 C ATOM 834 O SER A 55 -10.419 3.729 -3.902 1.00 0.00 O ATOM 835 CB SER A 55 -10.223 2.278 -0.869 1.00 0.00 C ATOM 836 OG SER A 55 -10.268 1.194 -1.781 1.00 0.00 O ATOM 0 H SER A 55 -12.364 2.848 -2.598 1.00 0.00 H new ATOM 0 HA SER A 55 -10.571 4.398 -0.829 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.202 2.414 -0.511 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.838 2.050 0.001 1.00 0.00 H new ATOM 0 HG SER A 55 -11.084 0.673 -1.630 1.00 0.00 H new ATOM 842 N SER A 56 -8.648 4.230 -2.607 1.00 0.00 N ATOM 843 CA SER A 56 -7.772 4.533 -3.732 1.00 0.00 C ATOM 844 C SER A 56 -6.688 3.469 -3.879 1.00 0.00 C ATOM 845 O SER A 56 -6.093 3.034 -2.893 1.00 0.00 O ATOM 846 CB SER A 56 -7.129 5.909 -3.549 1.00 0.00 C ATOM 847 OG SER A 56 -8.003 6.940 -3.976 1.00 0.00 O ATOM 0 H SER A 56 -8.210 4.334 -1.692 1.00 0.00 H new ATOM 0 HA SER A 56 -8.376 4.539 -4.639 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.871 6.057 -2.500 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.199 5.958 -4.116 1.00 0.00 H new ATOM 0 HG SER A 56 -7.570 7.810 -3.847 1.00 0.00 H new ATOM 853 N MET A 57 -6.438 3.055 -5.117 1.00 0.00 N ATOM 854 CA MET A 57 -5.426 2.042 -5.394 1.00 0.00 C ATOM 855 C MET A 57 -4.264 2.637 -6.183 1.00 0.00 C ATOM 856 O MET A 57 -4.468 3.422 -7.109 1.00 0.00 O ATOM 857 CB MET A 57 -6.040 0.875 -6.169 1.00 0.00 C ATOM 858 CG MET A 57 -7.030 0.059 -5.355 1.00 0.00 C ATOM 859 SD MET A 57 -7.597 -1.416 -6.225 1.00 0.00 S ATOM 860 CE MET A 57 -7.195 -2.689 -5.031 1.00 0.00 C ATOM 0 H MET A 57 -6.922 3.405 -5.944 1.00 0.00 H new ATOM 0 HA MET A 57 -5.045 1.675 -4.441 1.00 0.00 H new ATOM 0 HB2 MET A 57 -6.543 1.263 -7.055 1.00 0.00 H new ATOM 0 HB3 MET A 57 -5.241 0.220 -6.517 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.565 -0.235 -4.414 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.889 0.681 -5.105 1.00 0.00 H new ATOM 0 HE1 MET A 57 -7.302 -3.670 -5.495 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.167 -2.558 -4.692 1.00 0.00 H new ATOM 0 HE3 MET A 57 -7.870 -2.615 -4.179 1.00 0.00 H new ATOM 870 N ALA A 58 -3.046 2.259 -5.810 1.00 0.00 N ATOM 871 CA ALA A 58 -1.852 2.753 -6.485 1.00 0.00 C ATOM 872 C ALA A 58 -0.705 1.755 -6.374 1.00 0.00 C ATOM 873 O ALA A 58 -0.360 1.311 -5.279 1.00 0.00 O ATOM 874 CB ALA A 58 -1.440 4.100 -5.908 1.00 0.00 C ATOM 0 H ALA A 58 -2.860 1.612 -5.044 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.088 2.878 -7.542 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.547 4.458 -6.421 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.249 4.817 -6.045 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.228 3.991 -4.844 1.00 0.00 H new ATOM 880 N ARG A 59 -0.119 1.405 -7.514 1.00 0.00 N ATOM 881 CA ARG A 59 0.988 0.457 -7.545 1.00 0.00 C ATOM 882 C ARG A 59 2.306 1.169 -7.836 1.00 0.00 C ATOM 883 O ARG A 59 2.325 2.363 -8.133 1.00 0.00 O ATOM 884 CB ARG A 59 0.735 -0.622 -8.600 1.00 0.00 C ATOM 885 CG ARG A 59 0.429 -0.064 -9.980 1.00 0.00 C ATOM 886 CD ARG A 59 0.075 -1.169 -10.963 1.00 0.00 C ATOM 887 NE ARG A 59 -0.121 -0.657 -12.316 1.00 0.00 N ATOM 888 CZ ARG A 59 0.861 -0.171 -13.068 1.00 0.00 C ATOM 889 NH1 ARG A 59 2.101 -0.133 -12.600 1.00 0.00 N ATOM 890 NH2 ARG A 59 0.603 0.276 -14.290 1.00 0.00 N ATOM 0 H ARG A 59 -0.393 1.764 -8.429 1.00 0.00 H new ATOM 0 HA ARG A 59 1.058 -0.013 -6.564 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.611 -1.268 -8.664 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.098 -1.246 -8.277 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.398 0.643 -9.912 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.292 0.490 -10.349 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.869 -1.916 -10.970 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.833 -1.672 -10.631 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.064 -0.673 -12.706 1.00 0.00 H new ATOM 0 HH11 ARG A 59 2.303 -0.477 -11.661 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.853 0.240 -13.179 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.350 0.247 -14.653 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.357 0.649 -14.866 1.00 0.00 H new ATOM 904 N SER A 60 3.405 0.427 -7.748 1.00 0.00 N ATOM 905 CA SER A 60 4.728 0.988 -7.997 1.00 0.00 C ATOM 906 C SER A 60 5.648 -0.051 -8.630 1.00 0.00 C ATOM 907 O SER A 60 5.329 -1.239 -8.664 1.00 0.00 O ATOM 908 CB SER A 60 5.341 1.504 -6.694 1.00 0.00 C ATOM 909 OG SER A 60 6.739 1.688 -6.826 1.00 0.00 O ATOM 0 H SER A 60 3.406 -0.564 -7.506 1.00 0.00 H new ATOM 0 HA SER A 60 4.617 1.821 -8.692 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.872 2.448 -6.416 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.138 0.798 -5.889 1.00 0.00 H new ATOM 0 HG SER A 60 7.107 2.020 -5.980 1.00 0.00 H new ATOM 915 N GLN A 61 6.792 0.406 -9.129 1.00 0.00 N ATOM 916 CA GLN A 61 7.759 -0.483 -9.760 1.00 0.00 C ATOM 917 C GLN A 61 8.851 -0.889 -8.775 1.00 0.00 C ATOM 918 O GLN A 61 9.945 -1.288 -9.174 1.00 0.00 O ATOM 919 CB GLN A 61 8.384 0.193 -10.982 1.00 0.00 C ATOM 920 CG GLN A 61 7.432 0.321 -12.160 1.00 0.00 C ATOM 921 CD GLN A 61 8.156 0.411 -13.489 1.00 0.00 C ATOM 922 OE1 GLN A 61 9.089 1.200 -13.648 1.00 0.00 O ATOM 923 NE2 GLN A 61 7.731 -0.398 -14.452 1.00 0.00 N ATOM 0 H GLN A 61 7.071 1.387 -9.108 1.00 0.00 H new ATOM 0 HA GLN A 61 7.232 -1.382 -10.080 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.733 1.186 -10.699 1.00 0.00 H new ATOM 0 HB3 GLN A 61 9.260 -0.376 -11.294 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.760 -0.537 -12.174 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.813 1.208 -12.027 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.955 -1.036 -14.277 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.181 -0.382 -15.367 1.00 0.00 H new ATOM 932 N THR A 62 8.546 -0.784 -7.485 1.00 0.00 N ATOM 933 CA THR A 62 9.501 -1.138 -6.443 1.00 0.00 C ATOM 934 C THR A 62 8.792 -1.434 -5.126 1.00 0.00 C ATOM 935 O THR A 62 7.573 -1.303 -5.023 1.00 0.00 O ATOM 936 CB THR A 62 10.529 -0.013 -6.218 1.00 0.00 C ATOM 937 OG1 THR A 62 11.306 -0.287 -5.047 1.00 0.00 O ATOM 938 CG2 THR A 62 9.835 1.332 -6.068 1.00 0.00 C ATOM 0 H THR A 62 7.645 -0.457 -7.137 1.00 0.00 H new ATOM 0 HA THR A 62 10.022 -2.034 -6.782 1.00 0.00 H new ATOM 0 HB THR A 62 11.185 0.029 -7.088 1.00 0.00 H new ATOM 0 HG1 THR A 62 12.076 0.319 -5.016 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.581 2.111 -5.910 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.267 1.551 -6.972 1.00 0.00 H new ATOM 0 HG23 THR A 62 9.159 1.299 -5.214 1.00 0.00 H new ATOM 946 N ASN A 63 9.564 -1.835 -4.121 1.00 0.00 N ATOM 947 CA ASN A 63 9.010 -2.150 -2.810 1.00 0.00 C ATOM 948 C ASN A 63 8.856 -0.888 -1.966 1.00 0.00 C ATOM 949 O ASN A 63 8.616 -0.958 -0.760 1.00 0.00 O ATOM 950 CB ASN A 63 9.904 -3.156 -2.083 1.00 0.00 C ATOM 951 CG ASN A 63 9.511 -4.593 -2.371 1.00 0.00 C ATOM 952 OD1 ASN A 63 9.692 -5.087 -3.484 1.00 0.00 O ATOM 953 ND2 ASN A 63 8.969 -5.270 -1.365 1.00 0.00 N ATOM 0 H ASN A 63 10.575 -1.949 -4.190 1.00 0.00 H new ATOM 0 HA ASN A 63 8.024 -2.590 -2.957 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.940 -2.999 -2.381 1.00 0.00 H new ATOM 0 HB3 ASN A 63 9.851 -2.976 -1.009 1.00 0.00 H new ATOM 0 HD21 ASN A 63 8.684 -6.240 -1.498 1.00 0.00 H new ATOM 0 HD22 ASN A 63 8.838 -4.820 -0.459 1.00 0.00 H new ATOM 960 N THR A 64 8.994 0.267 -2.609 1.00 0.00 N ATOM 961 CA THR A 64 8.871 1.545 -1.920 1.00 0.00 C ATOM 962 C THR A 64 7.999 2.514 -2.709 1.00 0.00 C ATOM 963 O THR A 64 8.283 2.818 -3.867 1.00 0.00 O ATOM 964 CB THR A 64 10.250 2.190 -1.682 1.00 0.00 C ATOM 965 OG1 THR A 64 10.092 3.570 -1.333 1.00 0.00 O ATOM 966 CG2 THR A 64 11.123 2.073 -2.922 1.00 0.00 C ATOM 0 H THR A 64 9.191 0.343 -3.607 1.00 0.00 H new ATOM 0 HA THR A 64 8.402 1.341 -0.957 1.00 0.00 H new ATOM 0 HB THR A 64 10.737 1.662 -0.862 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.973 3.972 -1.182 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.091 2.535 -2.730 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.266 1.021 -3.169 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.639 2.579 -3.757 1.00 0.00 H new ATOM 974 N ALA A 65 6.936 2.998 -2.074 1.00 0.00 N ATOM 975 CA ALA A 65 6.023 3.935 -2.717 1.00 0.00 C ATOM 976 C ALA A 65 5.430 4.907 -1.702 1.00 0.00 C ATOM 977 O ALA A 65 5.362 4.610 -0.510 1.00 0.00 O ATOM 978 CB ALA A 65 4.915 3.182 -3.439 1.00 0.00 C ATOM 0 H ALA A 65 6.686 2.757 -1.115 1.00 0.00 H new ATOM 0 HA ALA A 65 6.590 4.513 -3.447 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.241 3.894 -3.914 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.351 2.533 -4.198 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.358 2.579 -2.722 1.00 0.00 H new ATOM 984 N ARG A 66 5.004 6.070 -2.184 1.00 0.00 N ATOM 985 CA ARG A 66 4.419 7.087 -1.318 1.00 0.00 C ATOM 986 C ARG A 66 3.013 7.455 -1.785 1.00 0.00 C ATOM 987 O ARG A 66 2.754 7.555 -2.984 1.00 0.00 O ATOM 988 CB ARG A 66 5.303 8.335 -1.292 1.00 0.00 C ATOM 989 CG ARG A 66 4.693 9.497 -0.525 1.00 0.00 C ATOM 990 CD ARG A 66 5.206 10.834 -1.038 1.00 0.00 C ATOM 991 NE ARG A 66 6.605 11.057 -0.681 1.00 0.00 N ATOM 992 CZ ARG A 66 7.398 11.913 -1.315 1.00 0.00 C ATOM 993 NH1 ARG A 66 6.932 12.623 -2.333 1.00 0.00 N ATOM 994 NH2 ARG A 66 8.659 12.060 -0.931 1.00 0.00 N ATOM 0 H ARG A 66 5.053 6.331 -3.169 1.00 0.00 H new ATOM 0 HA ARG A 66 4.353 6.677 -0.310 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.264 8.080 -0.845 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.502 8.651 -2.316 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.607 9.464 -0.615 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.928 9.398 0.535 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.098 10.872 -2.122 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.595 11.638 -0.628 1.00 0.00 H new ATOM 0 HE ARG A 66 6.994 10.526 0.098 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.963 12.512 -2.631 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.543 13.280 -2.819 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.020 11.515 -0.148 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.267 12.718 -1.419 1.00 0.00 H new ATOM 1008 N ILE A 67 2.112 7.656 -0.829 1.00 0.00 N ATOM 1009 CA ILE A 67 0.734 8.013 -1.143 1.00 0.00 C ATOM 1010 C ILE A 67 0.535 9.525 -1.102 1.00 0.00 C ATOM 1011 O ILE A 67 0.791 10.167 -0.083 1.00 0.00 O ATOM 1012 CB ILE A 67 -0.256 7.350 -0.167 1.00 0.00 C ATOM 1013 CG1 ILE A 67 0.186 5.920 0.148 1.00 0.00 C ATOM 1014 CG2 ILE A 67 -1.661 7.359 -0.750 1.00 0.00 C ATOM 1015 CD1 ILE A 67 0.037 4.970 -1.019 1.00 0.00 C ATOM 0 H ILE A 67 2.311 7.578 0.168 1.00 0.00 H new ATOM 0 HA ILE A 67 0.536 7.650 -2.151 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.265 7.921 0.762 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.229 5.932 0.465 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.398 5.545 0.988 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.349 6.887 -0.049 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.974 8.388 -0.929 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.668 6.809 -1.691 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.369 3.975 -0.723 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.009 4.928 -1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.643 5.321 -1.854 1.00 0.00 H new ATOM 1027 N ASP A 68 0.077 10.086 -2.215 1.00 0.00 N ATOM 1028 CA ASP A 68 -0.159 11.522 -2.306 1.00 0.00 C ATOM 1029 C ASP A 68 -1.652 11.822 -2.410 1.00 0.00 C ATOM 1030 O ASP A 68 -2.394 11.105 -3.079 1.00 0.00 O ATOM 1031 CB ASP A 68 0.576 12.106 -3.514 1.00 0.00 C ATOM 1032 CG ASP A 68 -0.152 11.844 -4.817 1.00 0.00 C ATOM 1033 OD1 ASP A 68 -0.025 10.723 -5.352 1.00 0.00 O ATOM 1034 OD2 ASP A 68 -0.849 12.760 -5.302 1.00 0.00 O ATOM 0 H ASP A 68 -0.138 9.568 -3.067 1.00 0.00 H new ATOM 0 HA ASP A 68 0.225 11.986 -1.398 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.696 13.181 -3.378 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.577 11.678 -3.568 1.00 0.00 H new ATOM 1039 N GLY A 69 -2.084 12.887 -1.741 1.00 0.00 N ATOM 1040 CA GLY A 69 -3.486 13.262 -1.770 1.00 0.00 C ATOM 1041 C GLY A 69 -4.204 12.921 -0.479 1.00 0.00 C ATOM 1042 O GLY A 69 -5.265 12.296 -0.497 1.00 0.00 O ATOM 0 H GLY A 69 -1.489 13.496 -1.180 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.569 14.333 -1.956 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.977 12.755 -2.600 1.00 0.00 H new ATOM 1046 N LEU A 70 -3.625 13.331 0.644 1.00 0.00 N ATOM 1047 CA LEU A 70 -4.216 13.064 1.951 1.00 0.00 C ATOM 1048 C LEU A 70 -4.316 14.344 2.774 1.00 0.00 C ATOM 1049 O LEU A 70 -3.700 15.357 2.443 1.00 0.00 O ATOM 1050 CB LEU A 70 -3.386 12.023 2.704 1.00 0.00 C ATOM 1051 CG LEU A 70 -2.869 10.848 1.874 1.00 0.00 C ATOM 1052 CD1 LEU A 70 -1.728 10.147 2.594 1.00 0.00 C ATOM 1053 CD2 LEU A 70 -3.995 9.870 1.575 1.00 0.00 C ATOM 0 H LEU A 70 -2.747 13.849 0.676 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.222 12.674 1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.531 12.527 3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.990 11.627 3.520 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.491 11.235 0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.373 9.313 1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.912 10.852 2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.080 9.773 3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.609 9.040 0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.404 9.489 2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.780 10.379 1.016 1.00 0.00 H new ATOM 1065 N ARG A 71 -5.095 14.290 3.850 1.00 0.00 N ATOM 1066 CA ARG A 71 -5.275 15.445 4.722 1.00 0.00 C ATOM 1067 C ARG A 71 -4.292 15.404 5.888 1.00 0.00 C ATOM 1068 O ARG A 71 -3.865 14.339 6.335 1.00 0.00 O ATOM 1069 CB ARG A 71 -6.709 15.492 5.251 1.00 0.00 C ATOM 1070 CG ARG A 71 -7.761 15.560 4.156 1.00 0.00 C ATOM 1071 CD ARG A 71 -7.899 16.969 3.603 1.00 0.00 C ATOM 1072 NE ARG A 71 -8.818 17.781 4.396 1.00 0.00 N ATOM 1073 CZ ARG A 71 -9.147 19.031 4.090 1.00 0.00 C ATOM 1074 NH1 ARG A 71 -8.634 19.610 3.013 1.00 0.00 N ATOM 1075 NH2 ARG A 71 -9.990 19.704 4.862 1.00 0.00 N ATOM 0 H ARG A 71 -5.611 13.459 4.139 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.081 16.344 4.137 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.891 14.608 5.863 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.819 16.359 5.903 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.494 14.876 3.350 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.721 15.227 4.551 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.920 17.447 3.581 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.254 16.921 2.573 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.230 17.365 5.231 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.985 19.095 2.417 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.888 20.570 2.780 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.386 19.262 5.691 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.242 20.664 4.626 1.00 0.00 H new ATOM 1089 N PRO A 72 -3.923 16.590 6.394 1.00 0.00 N ATOM 1090 CA PRO A 72 -2.987 16.716 7.515 1.00 0.00 C ATOM 1091 C PRO A 72 -3.588 16.232 8.830 1.00 0.00 C ATOM 1092 O PRO A 72 -4.711 16.593 9.180 1.00 0.00 O ATOM 1093 CB PRO A 72 -2.708 18.220 7.576 1.00 0.00 C ATOM 1094 CG PRO A 72 -3.911 18.854 6.968 1.00 0.00 C ATOM 1095 CD PRO A 72 -4.393 17.900 5.911 1.00 0.00 C ATOM 0 HA PRO A 72 -2.094 16.108 7.371 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.561 18.554 8.603 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.804 18.477 7.025 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.682 19.027 7.719 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.664 19.824 6.535 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.478 17.926 5.811 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.977 18.141 4.933 1.00 0.00 H new ATOM 1103 N GLY A 73 -2.832 15.413 9.555 1.00 0.00 N ATOM 1104 CA GLY A 73 -3.308 14.894 10.824 1.00 0.00 C ATOM 1105 C GLY A 73 -4.471 13.936 10.659 1.00 0.00 C ATOM 1106 O GLY A 73 -5.503 14.083 11.313 1.00 0.00 O ATOM 0 H GLY A 73 -1.899 15.100 9.286 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.491 14.384 11.334 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.613 15.724 11.461 1.00 0.00 H new ATOM 1110 N MET A 74 -4.305 12.952 9.780 1.00 0.00 N ATOM 1111 CA MET A 74 -5.351 11.967 9.531 1.00 0.00 C ATOM 1112 C MET A 74 -4.751 10.581 9.315 1.00 0.00 C ATOM 1113 O MET A 74 -3.746 10.430 8.621 1.00 0.00 O ATOM 1114 CB MET A 74 -6.183 12.371 8.312 1.00 0.00 C ATOM 1115 CG MET A 74 -7.196 11.319 7.892 1.00 0.00 C ATOM 1116 SD MET A 74 -8.663 12.034 7.126 1.00 0.00 S ATOM 1117 CE MET A 74 -9.383 12.901 8.518 1.00 0.00 C ATOM 0 H MET A 74 -3.457 12.816 9.229 1.00 0.00 H new ATOM 0 HA MET A 74 -5.998 11.932 10.407 1.00 0.00 H new ATOM 0 HB2 MET A 74 -6.707 13.301 8.532 1.00 0.00 H new ATOM 0 HB3 MET A 74 -5.513 12.573 7.476 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.727 10.627 7.193 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.493 10.738 8.765 1.00 0.00 H new ATOM 0 HE1 MET A 74 -10.463 12.964 8.388 1.00 0.00 H new ATOM 0 HE2 MET A 74 -9.159 12.361 9.438 1.00 0.00 H new ATOM 0 HE3 MET A 74 -8.965 13.906 8.576 1.00 0.00 H new ATOM 1127 N VAL A 75 -5.375 9.571 9.915 1.00 0.00 N ATOM 1128 CA VAL A 75 -4.903 8.198 9.787 1.00 0.00 C ATOM 1129 C VAL A 75 -5.418 7.557 8.504 1.00 0.00 C ATOM 1130 O VAL A 75 -6.581 7.727 8.136 1.00 0.00 O ATOM 1131 CB VAL A 75 -5.342 7.340 10.989 1.00 0.00 C ATOM 1132 CG1 VAL A 75 -4.727 5.951 10.906 1.00 0.00 C ATOM 1133 CG2 VAL A 75 -4.964 8.021 12.295 1.00 0.00 C ATOM 0 H VAL A 75 -6.208 9.679 10.494 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.814 8.239 9.757 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.426 7.234 10.961 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.048 5.359 11.763 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.051 5.464 9.987 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.640 6.034 10.909 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.281 7.401 13.134 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.883 8.159 12.334 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.456 8.992 12.355 1.00 0.00 H new ATOM 1143 N TYR A 76 -4.546 6.818 7.826 1.00 0.00 N ATOM 1144 CA TYR A 76 -4.912 6.152 6.582 1.00 0.00 C ATOM 1145 C TYR A 76 -4.426 4.706 6.574 1.00 0.00 C ATOM 1146 O TYR A 76 -3.236 4.439 6.740 1.00 0.00 O ATOM 1147 CB TYR A 76 -4.329 6.905 5.385 1.00 0.00 C ATOM 1148 CG TYR A 76 -4.931 8.277 5.180 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -4.393 9.394 5.805 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -6.039 8.454 4.359 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -4.941 10.649 5.621 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -6.593 9.705 4.168 1.00 0.00 C ATOM 1153 CZ TYR A 76 -6.041 10.799 4.801 1.00 0.00 C ATOM 1154 OH TYR A 76 -6.589 12.048 4.614 1.00 0.00 O ATOM 0 H TYR A 76 -3.581 6.665 8.118 1.00 0.00 H new ATOM 0 HA TYR A 76 -5.999 6.151 6.507 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.252 7.007 5.520 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.483 6.312 4.484 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -3.531 9.280 6.446 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.474 7.599 3.862 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.511 11.507 6.116 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.454 9.826 3.527 1.00 0.00 H new ATOM 0 HH TYR A 76 -7.272 12.211 5.298 1.00 0.00 H new ATOM 1164 N VAL A 77 -5.356 3.777 6.379 1.00 0.00 N ATOM 1165 CA VAL A 77 -5.023 2.358 6.347 1.00 0.00 C ATOM 1166 C VAL A 77 -4.430 1.962 5.000 1.00 0.00 C ATOM 1167 O VAL A 77 -5.153 1.773 4.022 1.00 0.00 O ATOM 1168 CB VAL A 77 -6.261 1.485 6.626 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -5.871 0.018 6.718 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -6.958 1.940 7.900 1.00 0.00 C ATOM 0 H VAL A 77 -6.346 3.981 6.241 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.284 2.189 7.130 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.958 1.600 5.796 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.759 -0.583 6.915 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.421 -0.298 5.777 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.154 -0.118 7.527 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.830 1.312 8.082 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.270 1.857 8.741 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.274 2.977 7.791 1.00 0.00 H new ATOM 1180 N VAL A 78 -3.107 1.838 4.955 1.00 0.00 N ATOM 1181 CA VAL A 78 -2.415 1.464 3.728 1.00 0.00 C ATOM 1182 C VAL A 78 -2.012 -0.006 3.751 1.00 0.00 C ATOM 1183 O VAL A 78 -1.725 -0.564 4.810 1.00 0.00 O ATOM 1184 CB VAL A 78 -1.158 2.326 3.507 1.00 0.00 C ATOM 1185 CG1 VAL A 78 -0.497 1.977 2.182 1.00 0.00 C ATOM 1186 CG2 VAL A 78 -1.509 3.805 3.564 1.00 0.00 C ATOM 0 H VAL A 78 -2.493 1.991 5.755 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.112 1.634 2.907 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.448 2.114 4.307 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.389 2.596 2.043 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.208 0.926 2.185 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.198 2.159 1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.609 4.399 3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.238 4.036 2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.933 4.041 4.540 1.00 0.00 H new ATOM 1196 N GLN A 79 -1.993 -0.628 2.576 1.00 0.00 N ATOM 1197 CA GLN A 79 -1.625 -2.034 2.462 1.00 0.00 C ATOM 1198 C GLN A 79 -0.907 -2.304 1.144 1.00 0.00 C ATOM 1199 O GLN A 79 -1.204 -1.681 0.125 1.00 0.00 O ATOM 1200 CB GLN A 79 -2.869 -2.918 2.570 1.00 0.00 C ATOM 1201 CG GLN A 79 -3.427 -3.014 3.980 1.00 0.00 C ATOM 1202 CD GLN A 79 -2.695 -4.032 4.831 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -1.517 -3.862 5.146 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -3.389 -5.099 5.207 1.00 0.00 N ATOM 0 H GLN A 79 -2.228 -0.180 1.690 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.945 -2.274 3.280 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.642 -2.526 1.909 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.625 -3.920 2.216 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.366 -2.036 4.458 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.483 -3.280 3.931 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.364 -5.200 4.923 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.948 -5.818 5.780 1.00 0.00 H new ATOM 1213 N VAL A 80 0.040 -3.236 1.172 1.00 0.00 N ATOM 1214 CA VAL A 80 0.800 -3.590 -0.021 1.00 0.00 C ATOM 1215 C VAL A 80 0.580 -5.050 -0.401 1.00 0.00 C ATOM 1216 O VAL A 80 0.527 -5.925 0.463 1.00 0.00 O ATOM 1217 CB VAL A 80 2.307 -3.344 0.181 1.00 0.00 C ATOM 1218 CG1 VAL A 80 2.866 -4.291 1.231 1.00 0.00 C ATOM 1219 CG2 VAL A 80 3.053 -3.496 -1.137 1.00 0.00 C ATOM 0 H VAL A 80 0.299 -3.760 2.008 1.00 0.00 H new ATOM 0 HA VAL A 80 0.440 -2.951 -0.827 1.00 0.00 H new ATOM 0 HB VAL A 80 2.447 -2.323 0.536 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.932 -4.103 1.360 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.351 -4.129 2.178 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.716 -5.321 0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.116 -3.319 -0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.908 -4.505 -1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.670 -2.773 -1.857 1.00 0.00 H new ATOM 1229 N ARG A 81 0.454 -5.305 -1.699 1.00 0.00 N ATOM 1230 CA ARG A 81 0.239 -6.660 -2.194 1.00 0.00 C ATOM 1231 C ARG A 81 1.267 -7.017 -3.263 1.00 0.00 C ATOM 1232 O ARG A 81 1.941 -6.143 -3.807 1.00 0.00 O ATOM 1233 CB ARG A 81 -1.175 -6.800 -2.762 1.00 0.00 C ATOM 1234 CG ARG A 81 -1.421 -5.950 -3.997 1.00 0.00 C ATOM 1235 CD ARG A 81 -2.606 -6.464 -4.800 1.00 0.00 C ATOM 1236 NE ARG A 81 -3.862 -5.849 -4.377 1.00 0.00 N ATOM 1237 CZ ARG A 81 -5.057 -6.367 -4.637 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -5.159 -7.502 -5.314 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -6.154 -5.748 -4.219 1.00 0.00 N ATOM 0 H ARG A 81 0.497 -4.592 -2.427 1.00 0.00 H new ATOM 0 HA ARG A 81 0.356 -7.349 -1.358 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.356 -7.846 -3.009 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.896 -6.525 -1.992 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.602 -4.917 -3.699 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.529 -5.949 -4.623 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.442 -6.262 -5.858 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.677 -7.546 -4.689 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.819 -4.975 -3.854 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.318 -7.980 -5.637 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.078 -7.897 -5.512 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.079 -4.874 -3.698 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.072 -6.146 -4.419 1.00 0.00 H new ATOM 1253 N ALA A 82 1.380 -8.308 -3.560 1.00 0.00 N ATOM 1254 CA ALA A 82 2.323 -8.780 -4.565 1.00 0.00 C ATOM 1255 C ALA A 82 1.595 -9.299 -5.801 1.00 0.00 C ATOM 1256 O ALA A 82 0.817 -10.249 -5.721 1.00 0.00 O ATOM 1257 CB ALA A 82 3.216 -9.866 -3.982 1.00 0.00 C ATOM 0 H ALA A 82 0.830 -9.045 -3.118 1.00 0.00 H new ATOM 0 HA ALA A 82 2.944 -7.937 -4.868 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.916 -10.210 -4.744 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.771 -9.464 -3.134 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.602 -10.703 -3.650 1.00 0.00 H new ATOM 1263 N ARG A 83 1.853 -8.668 -6.942 1.00 0.00 N ATOM 1264 CA ARG A 83 1.221 -9.065 -8.194 1.00 0.00 C ATOM 1265 C ARG A 83 2.235 -9.709 -9.135 1.00 0.00 C ATOM 1266 O ARG A 83 3.348 -9.211 -9.301 1.00 0.00 O ATOM 1267 CB ARG A 83 0.577 -7.854 -8.871 1.00 0.00 C ATOM 1268 CG ARG A 83 -0.240 -8.208 -10.103 1.00 0.00 C ATOM 1269 CD ARG A 83 -0.908 -6.979 -10.701 1.00 0.00 C ATOM 1270 NE ARG A 83 -0.058 -6.322 -11.690 1.00 0.00 N ATOM 1271 CZ ARG A 83 0.178 -6.815 -12.900 1.00 0.00 C ATOM 1272 NH1 ARG A 83 -0.369 -7.965 -13.269 1.00 0.00 N ATOM 1273 NH2 ARG A 83 0.962 -6.158 -13.745 1.00 0.00 N ATOM 0 H ARG A 83 2.495 -7.880 -7.025 1.00 0.00 H new ATOM 0 HA ARG A 83 0.448 -9.798 -7.965 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.066 -7.346 -8.152 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.358 -7.148 -9.154 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.406 -8.671 -10.849 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.999 -8.944 -9.838 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.850 -7.269 -11.167 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.150 -6.274 -9.905 1.00 0.00 H new ATOM 0 HE ARG A 83 0.379 -5.435 -11.437 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.973 -8.473 -12.623 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.186 -8.342 -14.199 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.385 -5.273 -13.465 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.142 -6.538 -14.674 1.00 0.00 H new ATOM 1287 N THR A 84 1.842 -10.821 -9.749 1.00 0.00 N ATOM 1288 CA THR A 84 2.716 -11.534 -10.672 1.00 0.00 C ATOM 1289 C THR A 84 1.954 -11.985 -11.914 1.00 0.00 C ATOM 1290 O THR A 84 0.724 -12.029 -11.918 1.00 0.00 O ATOM 1291 CB THR A 84 3.356 -12.764 -10.002 1.00 0.00 C ATOM 1292 OG1 THR A 84 2.370 -13.783 -9.802 1.00 0.00 O ATOM 1293 CG2 THR A 84 3.982 -12.388 -8.667 1.00 0.00 C ATOM 0 H THR A 84 0.924 -11.247 -9.623 1.00 0.00 H new ATOM 0 HA THR A 84 3.502 -10.838 -10.964 1.00 0.00 H new ATOM 0 HB THR A 84 4.139 -13.142 -10.660 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.786 -14.562 -9.377 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.428 -13.273 -8.212 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.753 -11.634 -8.826 1.00 0.00 H new ATOM 0 HG23 THR A 84 3.214 -11.988 -8.005 1.00 0.00 H new ATOM 1301 N VAL A 85 2.693 -12.320 -12.966 1.00 0.00 N ATOM 1302 CA VAL A 85 2.087 -12.770 -14.214 1.00 0.00 C ATOM 1303 C VAL A 85 1.017 -13.824 -13.956 1.00 0.00 C ATOM 1304 O VAL A 85 0.076 -13.972 -14.736 1.00 0.00 O ATOM 1305 CB VAL A 85 3.143 -13.349 -15.174 1.00 0.00 C ATOM 1306 CG1 VAL A 85 4.283 -12.363 -15.373 1.00 0.00 C ATOM 1307 CG2 VAL A 85 3.663 -14.680 -14.652 1.00 0.00 C ATOM 0 H VAL A 85 3.712 -12.288 -12.980 1.00 0.00 H new ATOM 0 HA VAL A 85 1.628 -11.896 -14.676 1.00 0.00 H new ATOM 0 HB VAL A 85 2.673 -13.522 -16.142 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.019 -12.790 -16.054 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.893 -11.436 -15.794 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.755 -12.154 -14.413 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.408 -15.075 -15.342 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.117 -14.534 -13.672 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.836 -15.386 -14.567 1.00 0.00 H new ATOM 1317 N ALA A 86 1.167 -14.555 -12.856 1.00 0.00 N ATOM 1318 CA ALA A 86 0.211 -15.594 -12.494 1.00 0.00 C ATOM 1319 C ALA A 86 -1.093 -14.989 -11.985 1.00 0.00 C ATOM 1320 O ALA A 86 -2.177 -15.366 -12.426 1.00 0.00 O ATOM 1321 CB ALA A 86 0.811 -16.519 -11.444 1.00 0.00 C ATOM 0 H ALA A 86 1.941 -14.447 -12.201 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.014 -16.174 -13.389 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.087 -17.291 -11.182 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.711 -16.987 -11.843 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.065 -15.943 -10.554 1.00 0.00 H new ATOM 1327 N GLY A 87 -0.979 -14.047 -11.054 1.00 0.00 N ATOM 1328 CA GLY A 87 -2.157 -13.405 -10.501 1.00 0.00 C ATOM 1329 C GLY A 87 -1.821 -12.452 -9.370 1.00 0.00 C ATOM 1330 O GLY A 87 -0.650 -12.173 -9.111 1.00 0.00 O ATOM 0 H GLY A 87 -0.092 -13.717 -10.673 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.674 -12.859 -11.290 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.846 -14.168 -10.137 1.00 0.00 H new ATOM 1334 N TYR A 88 -2.850 -11.950 -8.696 1.00 0.00 N ATOM 1335 CA TYR A 88 -2.658 -11.020 -7.590 1.00 0.00 C ATOM 1336 C TYR A 88 -2.391 -11.769 -6.288 1.00 0.00 C ATOM 1337 O TYR A 88 -2.861 -12.889 -6.096 1.00 0.00 O ATOM 1338 CB TYR A 88 -3.887 -10.123 -7.432 1.00 0.00 C ATOM 1339 CG TYR A 88 -3.976 -9.029 -8.472 1.00 0.00 C ATOM 1340 CD1 TYR A 88 -4.443 -9.298 -9.753 1.00 0.00 C ATOM 1341 CD2 TYR A 88 -3.592 -7.727 -8.175 1.00 0.00 C ATOM 1342 CE1 TYR A 88 -4.526 -8.302 -10.707 1.00 0.00 C ATOM 1343 CE2 TYR A 88 -3.672 -6.725 -9.122 1.00 0.00 C ATOM 1344 CZ TYR A 88 -4.140 -7.017 -10.386 1.00 0.00 C ATOM 1345 OH TYR A 88 -4.220 -6.022 -11.333 1.00 0.00 O ATOM 0 H TYR A 88 -3.825 -12.172 -8.896 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.790 -10.401 -7.816 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.785 -10.738 -7.486 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.871 -9.670 -6.441 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.746 -10.303 -10.007 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.225 -7.495 -7.186 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.891 -8.528 -11.698 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -3.370 -5.718 -8.874 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.911 -5.176 -10.946 1.00 0.00 H new ATOM 1355 N GLY A 89 -1.631 -11.140 -5.396 1.00 0.00 N ATOM 1356 CA GLY A 89 -1.314 -11.760 -4.123 1.00 0.00 C ATOM 1357 C GLY A 89 -2.053 -11.119 -2.966 1.00 0.00 C ATOM 1358 O GLY A 89 -2.651 -10.054 -3.115 1.00 0.00 O ATOM 0 H GLY A 89 -1.229 -10.212 -5.533 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.563 -12.820 -4.167 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.241 -11.692 -3.947 1.00 0.00 H new ATOM 1362 N LYS A 90 -2.014 -11.770 -1.808 1.00 0.00 N ATOM 1363 CA LYS A 90 -2.685 -11.258 -0.619 1.00 0.00 C ATOM 1364 C LYS A 90 -2.030 -9.967 -0.138 1.00 0.00 C ATOM 1365 O LYS A 90 -0.903 -9.651 -0.519 1.00 0.00 O ATOM 1366 CB LYS A 90 -2.656 -12.304 0.498 1.00 0.00 C ATOM 1367 CG LYS A 90 -3.450 -13.558 0.177 1.00 0.00 C ATOM 1368 CD LYS A 90 -3.017 -14.729 1.044 1.00 0.00 C ATOM 1369 CE LYS A 90 -1.777 -15.409 0.485 1.00 0.00 C ATOM 1370 NZ LYS A 90 -1.249 -16.449 1.410 1.00 0.00 N ATOM 0 H LYS A 90 -1.524 -12.654 -1.668 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.721 -11.043 -0.881 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.621 -12.581 0.698 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.050 -11.859 1.412 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.512 -13.366 0.328 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.318 -13.814 -0.874 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.816 -14.378 2.056 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.830 -15.452 1.113 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.015 -15.865 -0.476 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.005 -14.662 0.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.404 -16.889 0.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.998 -16.010 2.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.976 -17.176 1.566 1.00 0.00 H new ATOM 1384 N PHE A 91 -2.744 -9.225 0.703 1.00 0.00 N ATOM 1385 CA PHE A 91 -2.232 -7.968 1.236 1.00 0.00 C ATOM 1386 C PHE A 91 -1.385 -8.211 2.483 1.00 0.00 C ATOM 1387 O PHE A 91 -1.583 -9.192 3.198 1.00 0.00 O ATOM 1388 CB PHE A 91 -3.387 -7.021 1.567 1.00 0.00 C ATOM 1389 CG PHE A 91 -3.780 -6.132 0.422 1.00 0.00 C ATOM 1390 CD1 PHE A 91 -2.889 -5.200 -0.087 1.00 0.00 C ATOM 1391 CD2 PHE A 91 -5.040 -6.228 -0.146 1.00 0.00 C ATOM 1392 CE1 PHE A 91 -3.249 -4.381 -1.140 1.00 0.00 C ATOM 1393 CE2 PHE A 91 -5.405 -5.411 -1.200 1.00 0.00 C ATOM 1394 CZ PHE A 91 -4.508 -4.487 -1.698 1.00 0.00 C ATOM 0 H PHE A 91 -3.678 -9.473 1.030 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.602 -7.509 0.474 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.252 -7.609 1.873 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -3.105 -6.401 2.418 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -1.903 -5.113 0.344 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.745 -6.949 0.239 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.546 -3.658 -1.527 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.391 -5.495 -1.633 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.790 -3.849 -2.522 1.00 0.00 H new ATOM 1404 N SER A 92 -0.442 -7.309 2.735 1.00 0.00 N ATOM 1405 CA SER A 92 0.438 -7.427 3.892 1.00 0.00 C ATOM 1406 C SER A 92 -0.293 -7.034 5.172 1.00 0.00 C ATOM 1407 O SER A 92 -1.429 -6.564 5.132 1.00 0.00 O ATOM 1408 CB SER A 92 1.677 -6.549 3.708 1.00 0.00 C ATOM 1409 OG SER A 92 1.358 -5.177 3.871 1.00 0.00 O ATOM 0 H SER A 92 -0.268 -6.489 2.154 1.00 0.00 H new ATOM 0 HA SER A 92 0.749 -8.468 3.977 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.441 -6.836 4.430 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.099 -6.712 2.716 1.00 0.00 H new ATOM 0 HG SER A 92 0.431 -5.021 3.594 1.00 0.00 H new ATOM 1415 N GLY A 93 0.369 -7.232 6.308 1.00 0.00 N ATOM 1416 CA GLY A 93 -0.232 -6.893 7.585 1.00 0.00 C ATOM 1417 C GLY A 93 -0.843 -5.507 7.589 1.00 0.00 C ATOM 1418 O GLY A 93 -0.223 -4.545 7.135 1.00 0.00 O ATOM 0 H GLY A 93 1.310 -7.621 6.367 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.001 -7.626 7.827 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.525 -6.955 8.367 1.00 0.00 H new ATOM 1422 N LYS A 94 -2.065 -5.402 8.101 1.00 0.00 N ATOM 1423 CA LYS A 94 -2.762 -4.123 8.163 1.00 0.00 C ATOM 1424 C LYS A 94 -2.013 -3.137 9.053 1.00 0.00 C ATOM 1425 O LYS A 94 -1.627 -3.468 10.174 1.00 0.00 O ATOM 1426 CB LYS A 94 -4.187 -4.320 8.686 1.00 0.00 C ATOM 1427 CG LYS A 94 -5.206 -4.582 7.592 1.00 0.00 C ATOM 1428 CD LYS A 94 -6.570 -4.923 8.170 1.00 0.00 C ATOM 1429 CE LYS A 94 -7.606 -5.123 7.074 1.00 0.00 C ATOM 1430 NZ LYS A 94 -7.228 -6.226 6.148 1.00 0.00 N ATOM 0 H LYS A 94 -2.593 -6.188 8.479 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.806 -3.712 7.154 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.196 -5.155 9.386 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.486 -3.433 9.244 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.290 -3.703 6.954 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.862 -5.402 6.962 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.495 -5.829 8.771 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.894 -4.124 8.837 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.574 -5.343 7.525 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.720 -4.198 6.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.041 -6.467 5.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.433 -5.921 5.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.946 -7.061 6.700 1.00 0.00 H new ATOM 1444 N MET A 95 -1.813 -1.924 8.548 1.00 0.00 N ATOM 1445 CA MET A 95 -1.113 -0.889 9.301 1.00 0.00 C ATOM 1446 C MET A 95 -1.816 0.457 9.157 1.00 0.00 C ATOM 1447 O MET A 95 -2.541 0.689 8.189 1.00 0.00 O ATOM 1448 CB MET A 95 0.336 -0.775 8.824 1.00 0.00 C ATOM 1449 CG MET A 95 1.289 -0.263 9.892 1.00 0.00 C ATOM 1450 SD MET A 95 1.782 -1.548 11.057 1.00 0.00 S ATOM 1451 CE MET A 95 3.184 -2.261 10.201 1.00 0.00 C ATOM 0 H MET A 95 -2.125 -1.634 7.621 1.00 0.00 H new ATOM 0 HA MET A 95 -1.120 -1.171 10.354 1.00 0.00 H new ATOM 0 HB2 MET A 95 0.676 -1.753 8.484 1.00 0.00 H new ATOM 0 HB3 MET A 95 0.375 -0.107 7.963 1.00 0.00 H new ATOM 0 HG2 MET A 95 2.178 0.148 9.413 1.00 0.00 H new ATOM 0 HG3 MET A 95 0.814 0.553 10.437 1.00 0.00 H new ATOM 0 HE1 MET A 95 3.912 -2.619 10.930 1.00 0.00 H new ATOM 0 HE2 MET A 95 2.848 -3.095 9.584 1.00 0.00 H new ATOM 0 HE3 MET A 95 3.647 -1.504 9.567 1.00 0.00 H new ATOM 1461 N CYS A 96 -1.596 1.340 10.125 1.00 0.00 N ATOM 1462 CA CYS A 96 -2.210 2.663 10.106 1.00 0.00 C ATOM 1463 C CYS A 96 -1.146 3.756 10.133 1.00 0.00 C ATOM 1464 O CYS A 96 -0.427 3.913 11.120 1.00 0.00 O ATOM 1465 CB CYS A 96 -3.157 2.826 11.296 1.00 0.00 C ATOM 1466 SG CYS A 96 -4.390 1.512 11.443 1.00 0.00 S ATOM 0 H CYS A 96 -0.998 1.164 10.932 1.00 0.00 H new ATOM 0 HA CYS A 96 -2.780 2.759 9.182 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -2.568 2.862 12.213 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -3.671 3.784 11.210 1.00 0.00 H new ATOM 0 HG CYS A 96 -5.142 1.737 12.479 1.00 0.00 H new ATOM 1472 N PHE A 97 -1.050 4.509 9.042 1.00 0.00 N ATOM 1473 CA PHE A 97 -0.073 5.586 8.940 1.00 0.00 C ATOM 1474 C PHE A 97 -0.765 6.942 8.842 1.00 0.00 C ATOM 1475 O PHE A 97 -1.570 7.175 7.940 1.00 0.00 O ATOM 1476 CB PHE A 97 0.829 5.371 7.722 1.00 0.00 C ATOM 1477 CG PHE A 97 1.391 3.981 7.630 1.00 0.00 C ATOM 1478 CD1 PHE A 97 2.431 3.585 8.456 1.00 0.00 C ATOM 1479 CD2 PHE A 97 0.881 3.072 6.718 1.00 0.00 C ATOM 1480 CE1 PHE A 97 2.951 2.307 8.374 1.00 0.00 C ATOM 1481 CE2 PHE A 97 1.397 1.792 6.633 1.00 0.00 C ATOM 1482 CZ PHE A 97 2.434 1.410 7.461 1.00 0.00 C ATOM 0 H PHE A 97 -1.637 4.393 8.216 1.00 0.00 H new ATOM 0 HA PHE A 97 0.538 5.575 9.843 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.261 5.585 6.817 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.652 6.085 7.758 1.00 0.00 H new ATOM 0 HD1 PHE A 97 2.840 4.283 9.172 1.00 0.00 H new ATOM 0 HD2 PHE A 97 0.072 3.366 6.066 1.00 0.00 H new ATOM 0 HE1 PHE A 97 3.761 2.010 9.024 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.989 1.091 5.919 1.00 0.00 H new ATOM 0 HZ PHE A 97 2.840 0.411 7.394 1.00 0.00 H new ATOM 1492 N GLN A 98 -0.446 7.831 9.776 1.00 0.00 N ATOM 1493 CA GLN A 98 -1.039 9.164 9.795 1.00 0.00 C ATOM 1494 C GLN A 98 -0.060 10.203 9.259 1.00 0.00 C ATOM 1495 O GLN A 98 1.154 9.992 9.268 1.00 0.00 O ATOM 1496 CB GLN A 98 -1.466 9.534 11.217 1.00 0.00 C ATOM 1497 CG GLN A 98 -0.302 9.875 12.133 1.00 0.00 C ATOM 1498 CD GLN A 98 -0.690 10.841 13.235 1.00 0.00 C ATOM 1499 OE1 GLN A 98 -0.924 10.313 14.430 1.00 0.00 O flip ATOM 1500 NE2 GLN A 98 -0.778 12.049 13.014 1.00 0.00 N flip ATOM 0 H GLN A 98 0.219 7.654 10.529 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.918 9.153 9.150 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -2.145 10.386 11.173 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.025 8.703 11.647 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.086 8.959 12.578 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.505 10.309 11.543 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.589 12.412 12.080 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -1.040 12.687 13.765 1.00 0.00 H new ATOM 1509 N THR A 99 -0.594 11.327 8.791 1.00 0.00 N ATOM 1510 CA THR A 99 0.232 12.398 8.250 1.00 0.00 C ATOM 1511 C THR A 99 0.706 13.338 9.352 1.00 0.00 C ATOM 1512 O THR A 99 0.334 13.184 10.516 1.00 0.00 O ATOM 1513 CB THR A 99 -0.531 13.213 7.188 1.00 0.00 C ATOM 1514 OG1 THR A 99 -1.655 13.867 7.787 1.00 0.00 O ATOM 1515 CG2 THR A 99 -1.004 12.317 6.054 1.00 0.00 C ATOM 0 H THR A 99 -1.596 11.519 8.776 1.00 0.00 H new ATOM 0 HA THR A 99 1.097 11.926 7.784 1.00 0.00 H new ATOM 0 HB THR A 99 0.148 13.961 6.779 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.404 13.876 7.155 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.540 12.915 5.317 1.00 0.00 H new ATOM 0 HG22 THR A 99 -0.143 11.844 5.581 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.668 11.549 6.450 1.00 0.00 H new ATOM 1523 N LEU A 100 1.528 14.312 8.979 1.00 0.00 N ATOM 1524 CA LEU A 100 2.053 15.279 9.937 1.00 0.00 C ATOM 1525 C LEU A 100 0.943 16.182 10.464 1.00 0.00 C ATOM 1526 O LEU A 100 0.004 16.518 9.740 1.00 0.00 O ATOM 1527 CB LEU A 100 3.150 16.126 9.289 1.00 0.00 C ATOM 1528 CG LEU A 100 4.555 15.522 9.294 1.00 0.00 C ATOM 1529 CD1 LEU A 100 4.585 14.233 8.488 1.00 0.00 C ATOM 1530 CD2 LEU A 100 5.566 16.519 8.746 1.00 0.00 C ATOM 0 H LEU A 100 1.846 14.453 8.020 1.00 0.00 H new ATOM 0 HA LEU A 100 2.477 14.727 10.776 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.865 16.325 8.256 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.188 17.088 9.800 1.00 0.00 H new ATOM 0 HG LEU A 100 4.826 15.289 10.324 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.593 13.818 8.503 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.890 13.515 8.924 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.293 14.441 7.458 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.560 16.072 8.757 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.298 16.784 7.723 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.565 17.416 9.365 1.00 0.00 H new ATOM 1542 N THR A 101 1.056 16.575 11.729 1.00 0.00 N ATOM 1543 CA THR A 101 0.062 17.440 12.352 1.00 0.00 C ATOM 1544 C THR A 101 0.632 18.829 12.618 1.00 0.00 C ATOM 1545 O THR A 101 1.648 18.974 13.298 1.00 0.00 O ATOM 1546 CB THR A 101 -0.448 16.845 13.678 1.00 0.00 C ATOM 1547 OG1 THR A 101 0.642 16.677 14.591 1.00 0.00 O ATOM 1548 CG2 THR A 101 -1.130 15.506 13.443 1.00 0.00 C ATOM 0 H THR A 101 1.826 16.308 12.342 1.00 0.00 H new ATOM 0 HA THR A 101 -0.771 17.519 11.653 1.00 0.00 H new ATOM 0 HB THR A 101 -1.175 17.536 14.105 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.321 17.363 14.420 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.482 15.105 14.394 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.977 15.642 12.771 1.00 0.00 H new ATOM 0 HG23 THR A 101 -0.420 14.810 12.996 1.00 0.00 H new ATOM 1556 N ASP A 102 -0.029 19.847 12.079 1.00 0.00 N ATOM 1557 CA ASP A 102 0.411 21.226 12.259 1.00 0.00 C ATOM 1558 C ASP A 102 -0.373 21.904 13.379 1.00 0.00 C ATOM 1559 O ASP A 102 -0.796 23.053 13.246 1.00 0.00 O ATOM 1560 CB ASP A 102 0.247 22.011 10.957 1.00 0.00 C ATOM 1561 CG ASP A 102 0.826 23.409 11.047 1.00 0.00 C ATOM 1562 OD1 ASP A 102 1.923 23.561 11.622 1.00 0.00 O ATOM 1563 OD2 ASP A 102 0.180 24.353 10.544 1.00 0.00 O ATOM 0 H ASP A 102 -0.872 19.744 11.514 1.00 0.00 H new ATOM 0 HA ASP A 102 1.466 21.212 12.534 1.00 0.00 H new ATOM 0 HB2 ASP A 102 0.735 21.470 10.146 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -0.812 22.075 10.706 1.00 0.00 H new