USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 780 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 49 TYR OH : rot -178:sc= 1.87 USER MOD Set 1.2: A 56 LYS NZ :NH3+ 158:sc= -0.0689 (180deg=-0.514) USER MOD Single : A 10 ASN : amide:sc= -0.578 X(o=-0.58,f=-0.37) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.134 USER MOD Single : A 13 GLN :FLIP amide:sc= -0.0663 F(o=-2.2!,f=-0.066) USER MOD Single : A 15 THR OG1 : rot 82:sc= 0.119 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 84:sc= 0.471 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.166 K(o=-0.17,f=-2.7!) USER MOD Single : A 36 GLN : amide:sc= -0.578 X(o=-0.58,f=-0.42) USER MOD Single : A 39 GLN : amide:sc= -2.75! C(o=-2.7!,f=-5.4!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 47 ASN : amide:sc= -0.192 X(o=-0.19,f=-0.073) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0.125 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 95:sc= 1.02 USER MOD Single : A 68 MET CE :methyl -171:sc= -0.0652 (180deg=-0.169) USER MOD Single : A 69 GLN :FLIP amide:sc= -0.415 F(o=-3.5,f=-0.42) USER MOD Single : A 70 THR OG1 : rot 54:sc= -0.536 USER MOD Single : A 73 ASN : amide:sc= -0.0706 X(o=-0.071,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.792 USER MOD Single : A 78 TYR OH : rot 180:sc= -0.0553 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 90:sc= 1.22 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot -83:sc= -0.203 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 SER OG : rot 151:sc= -0.18! USER MOD ----------------------------------------------------------------- ATOM 105 N ASN A 10 76.606 -9.824 9.188 1.00 0.00 N ATOM 106 CA ASN A 10 76.886 -10.979 8.342 1.00 0.00 C ATOM 107 C ASN A 10 78.385 -11.268 8.311 1.00 0.00 C ATOM 108 O ASN A 10 79.160 -10.644 9.034 1.00 0.00 O ATOM 109 CB ASN A 10 76.387 -10.719 6.919 1.00 0.00 C ATOM 110 CG ASN A 10 74.958 -11.232 6.765 1.00 0.00 C ATOM 111 OD1 ASN A 10 74.536 -11.570 5.659 1.00 0.00 O ATOM 112 ND2 ASN A 10 74.185 -11.308 7.814 1.00 0.00 N ATOM 0 HA ASN A 10 76.367 -11.843 8.756 1.00 0.00 H new ATOM 0 HB2 ASN A 10 76.424 -9.652 6.701 1.00 0.00 H new ATOM 0 HB3 ASN A 10 77.039 -11.214 6.200 1.00 0.00 H new ATOM 0 HD21 ASN A 10 73.228 -11.648 7.719 1.00 0.00 H new ATOM 0 HD22 ASN A 10 74.538 -11.027 8.729 1.00 0.00 H new ATOM 119 N TYR A 11 78.783 -12.218 7.471 1.00 0.00 N ATOM 120 CA TYR A 11 80.191 -12.582 7.356 1.00 0.00 C ATOM 121 C TYR A 11 80.748 -12.151 6.001 1.00 0.00 C ATOM 122 O TYR A 11 81.003 -10.969 5.771 1.00 0.00 O ATOM 123 CB TYR A 11 80.357 -14.093 7.523 1.00 0.00 C ATOM 124 CG TYR A 11 80.060 -14.481 8.954 1.00 0.00 C ATOM 125 CD1 TYR A 11 78.746 -14.444 9.431 1.00 0.00 C ATOM 126 CD2 TYR A 11 81.102 -14.881 9.800 1.00 0.00 C ATOM 127 CE1 TYR A 11 78.472 -14.805 10.756 1.00 0.00 C ATOM 128 CE2 TYR A 11 80.828 -15.242 11.124 1.00 0.00 C ATOM 129 CZ TYR A 11 79.512 -15.205 11.603 1.00 0.00 C ATOM 130 OH TYR A 11 79.243 -15.562 12.908 1.00 0.00 O ATOM 0 H TYR A 11 78.156 -12.746 6.864 1.00 0.00 H new ATOM 0 HA TYR A 11 80.744 -12.069 8.143 1.00 0.00 H new ATOM 0 HB2 TYR A 11 79.685 -14.620 6.846 1.00 0.00 H new ATOM 0 HB3 TYR A 11 81.372 -14.389 7.259 1.00 0.00 H new ATOM 0 HD1 TYR A 11 77.943 -14.137 8.778 1.00 0.00 H new ATOM 0 HD2 TYR A 11 82.116 -14.911 9.431 1.00 0.00 H new ATOM 0 HE1 TYR A 11 77.457 -14.775 11.125 1.00 0.00 H new ATOM 0 HE2 TYR A 11 81.632 -15.549 11.777 1.00 0.00 H new ATOM 0 HH TYR A 11 80.077 -15.814 13.357 1.00 0.00 H new ATOM 140 N SER A 12 80.933 -13.119 5.107 1.00 0.00 N ATOM 141 CA SER A 12 81.458 -12.831 3.776 1.00 0.00 C ATOM 142 C SER A 12 80.454 -12.016 2.969 1.00 0.00 C ATOM 143 O SER A 12 80.828 -11.118 2.214 1.00 0.00 O ATOM 144 CB SER A 12 81.761 -14.137 3.043 1.00 0.00 C ATOM 145 OG SER A 12 81.279 -15.230 3.815 1.00 0.00 O ATOM 0 H SER A 12 80.729 -14.103 5.279 1.00 0.00 H new ATOM 0 HA SER A 12 82.375 -12.252 3.885 1.00 0.00 H new ATOM 0 HB2 SER A 12 81.289 -14.134 2.060 1.00 0.00 H new ATOM 0 HB3 SER A 12 82.834 -14.236 2.881 1.00 0.00 H new ATOM 0 HG SER A 12 81.470 -16.070 3.348 1.00 0.00 H new ATOM 151 N GLN A 13 79.176 -12.341 3.132 1.00 0.00 N ATOM 152 CA GLN A 13 78.119 -11.642 2.412 1.00 0.00 C ATOM 153 C GLN A 13 78.232 -10.132 2.614 1.00 0.00 C ATOM 154 O GLN A 13 77.936 -9.352 1.710 1.00 0.00 O ATOM 155 CB GLN A 13 76.750 -12.120 2.906 1.00 0.00 C ATOM 156 CG GLN A 13 76.082 -12.996 1.840 1.00 0.00 C ATOM 157 CD GLN A 13 75.433 -12.127 0.759 1.00 0.00 C ATOM 158 OE1 GLN A 13 76.118 -11.176 0.171 1.00 0.00 O flip ATOM 159 NE2 GLN A 13 74.260 -12.322 0.436 1.00 0.00 N flip ATOM 0 H GLN A 13 78.848 -13.081 3.753 1.00 0.00 H new ATOM 0 HA GLN A 13 78.225 -11.862 1.350 1.00 0.00 H new ATOM 0 HB2 GLN A 13 76.865 -12.684 3.831 1.00 0.00 H new ATOM 0 HB3 GLN A 13 76.117 -11.262 3.132 1.00 0.00 H new ATOM 0 HG2 GLN A 13 76.822 -13.656 1.388 1.00 0.00 H new ATOM 0 HG3 GLN A 13 75.328 -13.632 2.304 1.00 0.00 H new ATOM 0 HE21 GLN A 13 73.722 -13.060 0.890 1.00 0.00 H new ATOM 0 HE22 GLN A 13 73.827 -11.745 -0.285 1.00 0.00 H new ATOM 168 N ASP A 14 78.658 -9.728 3.807 1.00 0.00 N ATOM 169 CA ASP A 14 78.799 -8.309 4.117 1.00 0.00 C ATOM 170 C ASP A 14 79.955 -7.690 3.335 1.00 0.00 C ATOM 171 O ASP A 14 79.833 -6.585 2.807 1.00 0.00 O ATOM 172 CB ASP A 14 79.038 -8.123 5.617 1.00 0.00 C ATOM 173 CG ASP A 14 78.323 -6.868 6.106 1.00 0.00 C ATOM 174 OD1 ASP A 14 78.805 -5.784 5.816 1.00 0.00 O ATOM 175 OD2 ASP A 14 77.306 -7.007 6.765 1.00 0.00 O ATOM 0 H ASP A 14 78.910 -10.357 4.569 1.00 0.00 H new ATOM 0 HA ASP A 14 77.876 -7.806 3.828 1.00 0.00 H new ATOM 0 HB2 ASP A 14 78.675 -8.994 6.162 1.00 0.00 H new ATOM 0 HB3 ASP A 14 80.107 -8.044 5.817 1.00 0.00 H new ATOM 180 N THR A 15 81.074 -8.403 3.267 1.00 0.00 N ATOM 181 CA THR A 15 82.238 -7.897 2.547 1.00 0.00 C ATOM 182 C THR A 15 81.857 -7.491 1.129 1.00 0.00 C ATOM 183 O THR A 15 82.216 -6.411 0.669 1.00 0.00 O ATOM 184 CB THR A 15 83.332 -8.967 2.492 1.00 0.00 C ATOM 185 OG1 THR A 15 82.836 -10.178 3.043 1.00 0.00 O ATOM 186 CG2 THR A 15 84.549 -8.498 3.292 1.00 0.00 C ATOM 0 H THR A 15 81.200 -9.320 3.695 1.00 0.00 H new ATOM 0 HA THR A 15 82.612 -7.022 3.079 1.00 0.00 H new ATOM 0 HB THR A 15 83.626 -9.134 1.456 1.00 0.00 H new ATOM 0 HG1 THR A 15 82.313 -10.655 2.366 1.00 0.00 H new ATOM 0 HG21 THR A 15 85.327 -9.261 3.252 1.00 0.00 H new ATOM 0 HG22 THR A 15 84.929 -7.570 2.866 1.00 0.00 H new ATOM 0 HG23 THR A 15 84.260 -8.329 4.329 1.00 0.00 H new ATOM 194 N LEU A 16 81.129 -8.362 0.442 1.00 0.00 N ATOM 195 CA LEU A 16 80.711 -8.077 -0.927 1.00 0.00 C ATOM 196 C LEU A 16 79.889 -6.794 -0.979 1.00 0.00 C ATOM 197 O LEU A 16 79.983 -6.024 -1.935 1.00 0.00 O ATOM 198 CB LEU A 16 79.881 -9.238 -1.489 1.00 0.00 C ATOM 199 CG LEU A 16 80.163 -10.522 -0.701 1.00 0.00 C ATOM 200 CD1 LEU A 16 79.496 -11.706 -1.404 1.00 0.00 C ATOM 201 CD2 LEU A 16 81.673 -10.764 -0.632 1.00 0.00 C ATOM 0 H LEU A 16 80.818 -9.263 0.804 1.00 0.00 H new ATOM 0 HA LEU A 16 81.608 -7.952 -1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 16 78.820 -8.995 -1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 16 80.120 -9.389 -2.542 1.00 0.00 H new ATOM 0 HG LEU A 16 79.765 -10.420 0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 16 79.695 -12.620 -0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 16 78.420 -11.539 -1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 16 79.897 -11.803 -2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 16 81.870 -11.678 -0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 16 82.072 -10.865 -1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 16 82.154 -9.922 -0.134 1.00 0.00 H new ATOM 213 N THR A 17 79.081 -6.571 0.051 1.00 0.00 N ATOM 214 CA THR A 17 78.245 -5.377 0.108 1.00 0.00 C ATOM 215 C THR A 17 79.088 -4.139 0.401 1.00 0.00 C ATOM 216 O THR A 17 78.955 -3.114 -0.267 1.00 0.00 O ATOM 217 CB THR A 17 77.179 -5.536 1.193 1.00 0.00 C ATOM 218 OG1 THR A 17 76.153 -6.399 0.724 1.00 0.00 O ATOM 219 CG2 THR A 17 76.585 -4.169 1.534 1.00 0.00 C ATOM 0 H THR A 17 78.987 -7.195 0.852 1.00 0.00 H new ATOM 0 HA THR A 17 77.763 -5.252 -0.862 1.00 0.00 H new ATOM 0 HB THR A 17 77.632 -5.964 2.087 1.00 0.00 H new ATOM 0 HG1 THR A 17 75.470 -6.503 1.419 1.00 0.00 H new ATOM 0 HG21 THR A 17 75.826 -4.285 2.307 1.00 0.00 H new ATOM 0 HG22 THR A 17 77.374 -3.510 1.896 1.00 0.00 H new ATOM 0 HG23 THR A 17 76.131 -3.737 0.642 1.00 0.00 H new ATOM 227 N VAL A 18 79.948 -4.240 1.409 1.00 0.00 N ATOM 228 CA VAL A 18 80.802 -3.118 1.789 1.00 0.00 C ATOM 229 C VAL A 18 81.917 -2.903 0.767 1.00 0.00 C ATOM 230 O VAL A 18 82.134 -1.786 0.297 1.00 0.00 O ATOM 231 CB VAL A 18 81.416 -3.376 3.166 1.00 0.00 C ATOM 232 CG1 VAL A 18 82.208 -2.146 3.611 1.00 0.00 C ATOM 233 CG2 VAL A 18 80.301 -3.654 4.176 1.00 0.00 C ATOM 0 H VAL A 18 80.073 -5.080 1.974 1.00 0.00 H new ATOM 0 HA VAL A 18 80.185 -2.220 1.822 1.00 0.00 H new ATOM 0 HB VAL A 18 82.082 -4.237 3.111 1.00 0.00 H new ATOM 0 HG11 VAL A 18 82.645 -2.330 4.592 1.00 0.00 H new ATOM 0 HG12 VAL A 18 83.002 -1.945 2.892 1.00 0.00 H new ATOM 0 HG13 VAL A 18 81.542 -1.285 3.667 1.00 0.00 H new ATOM 0 HG21 VAL A 18 80.737 -3.838 5.158 1.00 0.00 H new ATOM 0 HG22 VAL A 18 79.636 -2.792 4.230 1.00 0.00 H new ATOM 0 HG23 VAL A 18 79.734 -4.530 3.861 1.00 0.00 H new ATOM 243 N ILE A 19 82.627 -3.974 0.434 1.00 0.00 N ATOM 244 CA ILE A 19 83.724 -3.885 -0.525 1.00 0.00 C ATOM 245 C ILE A 19 83.278 -3.212 -1.807 1.00 0.00 C ATOM 246 O ILE A 19 84.038 -2.465 -2.418 1.00 0.00 O ATOM 247 CB ILE A 19 84.253 -5.285 -0.846 1.00 0.00 C ATOM 248 CG1 ILE A 19 84.885 -5.895 0.409 1.00 0.00 C ATOM 249 CG2 ILE A 19 85.301 -5.199 -1.958 1.00 0.00 C ATOM 250 CD1 ILE A 19 86.361 -5.499 0.485 1.00 0.00 C ATOM 0 H ILE A 19 82.466 -4.908 0.810 1.00 0.00 H new ATOM 0 HA ILE A 19 84.515 -3.285 -0.075 1.00 0.00 H new ATOM 0 HB ILE A 19 83.427 -5.914 -1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 19 84.359 -5.548 1.298 1.00 0.00 H new ATOM 0 HG13 ILE A 19 84.790 -6.981 0.385 1.00 0.00 H new ATOM 0 HG21 ILE A 19 85.675 -6.198 -2.183 1.00 0.00 H new ATOM 0 HG22 ILE A 19 84.848 -4.771 -2.852 1.00 0.00 H new ATOM 0 HG23 ILE A 19 86.127 -4.567 -1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 19 86.809 -5.934 1.379 1.00 0.00 H new ATOM 0 HD12 ILE A 19 86.883 -5.867 -0.398 1.00 0.00 H new ATOM 0 HD13 ILE A 19 86.445 -4.413 0.529 1.00 0.00 H new ATOM 262 N ALA A 20 82.058 -3.485 -2.227 1.00 0.00 N ATOM 263 CA ALA A 20 81.563 -2.900 -3.457 1.00 0.00 C ATOM 264 C ALA A 20 81.287 -1.401 -3.312 1.00 0.00 C ATOM 265 O ALA A 20 81.785 -0.597 -4.096 1.00 0.00 O ATOM 266 CB ALA A 20 80.288 -3.616 -3.905 1.00 0.00 C ATOM 0 H ALA A 20 81.401 -4.098 -1.744 1.00 0.00 H new ATOM 0 HA ALA A 20 82.341 -3.024 -4.210 1.00 0.00 H new ATOM 0 HB1 ALA A 20 79.925 -3.168 -4.830 1.00 0.00 H new ATOM 0 HB2 ALA A 20 80.503 -4.671 -4.073 1.00 0.00 H new ATOM 0 HB3 ALA A 20 79.526 -3.520 -3.132 1.00 0.00 H new ATOM 272 N THR A 21 80.468 -1.037 -2.332 1.00 0.00 N ATOM 273 CA THR A 21 80.099 0.367 -2.132 1.00 0.00 C ATOM 274 C THR A 21 81.304 1.265 -1.847 1.00 0.00 C ATOM 275 O THR A 21 81.476 2.296 -2.496 1.00 0.00 O ATOM 276 CB THR A 21 79.107 0.473 -0.972 1.00 0.00 C ATOM 277 OG1 THR A 21 78.023 -0.416 -1.195 1.00 0.00 O ATOM 278 CG2 THR A 21 78.581 1.907 -0.876 1.00 0.00 C ATOM 0 H THR A 21 80.048 -1.686 -1.666 1.00 0.00 H new ATOM 0 HA THR A 21 79.649 0.714 -3.062 1.00 0.00 H new ATOM 0 HB THR A 21 79.608 0.209 -0.041 1.00 0.00 H new ATOM 0 HG1 THR A 21 78.264 -1.312 -0.879 1.00 0.00 H new ATOM 0 HG21 THR A 21 77.874 1.981 -0.049 1.00 0.00 H new ATOM 0 HG22 THR A 21 79.414 2.589 -0.704 1.00 0.00 H new ATOM 0 HG23 THR A 21 78.080 2.174 -1.806 1.00 0.00 H new ATOM 286 N LEU A 22 82.120 0.896 -0.866 1.00 0.00 N ATOM 287 CA LEU A 22 83.276 1.714 -0.510 1.00 0.00 C ATOM 288 C LEU A 22 84.183 1.957 -1.710 1.00 0.00 C ATOM 289 O LEU A 22 84.538 3.097 -2.008 1.00 0.00 O ATOM 290 CB LEU A 22 84.066 1.015 0.589 1.00 0.00 C ATOM 291 CG LEU A 22 83.498 1.411 1.953 1.00 0.00 C ATOM 292 CD1 LEU A 22 82.045 0.946 2.059 1.00 0.00 C ATOM 293 CD2 LEU A 22 84.326 0.758 3.062 1.00 0.00 C ATOM 0 H LEU A 22 82.007 0.049 -0.310 1.00 0.00 H new ATOM 0 HA LEU A 22 82.914 2.681 -0.161 1.00 0.00 H new ATOM 0 HB2 LEU A 22 84.012 -0.066 0.460 1.00 0.00 H new ATOM 0 HB3 LEU A 22 85.119 1.291 0.527 1.00 0.00 H new ATOM 0 HG LEU A 22 83.539 2.495 2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 22 81.642 1.229 3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 22 81.455 1.414 1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 22 82.001 -0.138 1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 22 83.920 1.041 4.033 1.00 0.00 H new ATOM 0 HD22 LEU A 22 84.288 -0.326 2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 22 85.361 1.093 2.989 1.00 0.00 H new ATOM 305 N ARG A 23 84.556 0.886 -2.393 1.00 0.00 N ATOM 306 CA ARG A 23 85.421 1.004 -3.558 1.00 0.00 C ATOM 307 C ARG A 23 84.658 1.609 -4.729 1.00 0.00 C ATOM 308 O ARG A 23 85.243 2.275 -5.584 1.00 0.00 O ATOM 309 CB ARG A 23 85.976 -0.369 -3.950 1.00 0.00 C ATOM 310 CG ARG A 23 87.202 -0.716 -3.088 1.00 0.00 C ATOM 311 CD ARG A 23 87.051 -2.121 -2.489 1.00 0.00 C ATOM 312 NE ARG A 23 88.266 -2.492 -1.774 1.00 0.00 N ATOM 313 CZ ARG A 23 88.421 -2.208 -0.484 1.00 0.00 C ATOM 314 NH1 ARG A 23 87.479 -1.580 0.166 1.00 0.00 N ATOM 315 NH2 ARG A 23 89.518 -2.553 0.131 1.00 0.00 N ATOM 0 H ARG A 23 84.276 -0.068 -2.164 1.00 0.00 H new ATOM 0 HA ARG A 23 86.252 1.662 -3.303 1.00 0.00 H new ATOM 0 HB2 ARG A 23 85.206 -1.130 -3.822 1.00 0.00 H new ATOM 0 HB3 ARG A 23 86.253 -0.369 -5.004 1.00 0.00 H new ATOM 0 HG2 ARG A 23 88.107 -0.667 -3.694 1.00 0.00 H new ATOM 0 HG3 ARG A 23 87.313 0.017 -2.289 1.00 0.00 H new ATOM 0 HD2 ARG A 23 86.198 -2.146 -1.811 1.00 0.00 H new ATOM 0 HD3 ARG A 23 86.850 -2.843 -3.281 1.00 0.00 H new ATOM 0 HE ARG A 23 89.011 -2.979 -2.272 1.00 0.00 H new ATOM 0 HH11 ARG A 23 86.622 -1.306 -0.315 1.00 0.00 H new ATOM 0 HH12 ARG A 23 87.600 -1.363 1.155 1.00 0.00 H new ATOM 0 HH21 ARG A 23 90.256 -3.040 -0.377 1.00 0.00 H new ATOM 0 HH22 ARG A 23 89.638 -2.336 1.120 1.00 0.00 H new ATOM 329 N GLU A 24 83.351 1.371 -4.772 1.00 0.00 N ATOM 330 CA GLU A 24 82.535 1.902 -5.860 1.00 0.00 C ATOM 331 C GLU A 24 82.310 3.396 -5.686 1.00 0.00 C ATOM 332 O GLU A 24 82.197 4.133 -6.661 1.00 0.00 O ATOM 333 CB GLU A 24 81.189 1.176 -5.923 1.00 0.00 C ATOM 334 CG GLU A 24 80.296 1.841 -6.970 1.00 0.00 C ATOM 335 CD GLU A 24 79.392 0.801 -7.623 1.00 0.00 C ATOM 336 OE1 GLU A 24 78.912 -0.069 -6.915 1.00 0.00 O ATOM 337 OE2 GLU A 24 79.193 0.889 -8.824 1.00 0.00 O ATOM 0 H GLU A 24 82.840 0.824 -4.079 1.00 0.00 H new ATOM 0 HA GLU A 24 83.070 1.737 -6.795 1.00 0.00 H new ATOM 0 HB2 GLU A 24 81.342 0.127 -6.175 1.00 0.00 H new ATOM 0 HB3 GLU A 24 80.704 1.202 -4.947 1.00 0.00 H new ATOM 0 HG2 GLU A 24 79.691 2.618 -6.503 1.00 0.00 H new ATOM 0 HG3 GLU A 24 80.910 2.327 -7.728 1.00 0.00 H new ATOM 344 N ALA A 25 82.254 3.826 -4.437 1.00 0.00 N ATOM 345 CA ALA A 25 82.044 5.239 -4.114 1.00 0.00 C ATOM 346 C ALA A 25 83.082 6.117 -4.811 1.00 0.00 C ATOM 347 O ALA A 25 82.770 7.209 -5.287 1.00 0.00 O ATOM 348 CB ALA A 25 82.135 5.442 -2.602 1.00 0.00 C ATOM 0 H ALA A 25 82.351 3.219 -3.623 1.00 0.00 H new ATOM 0 HA ALA A 25 81.053 5.528 -4.465 1.00 0.00 H new ATOM 0 HB1 ALA A 25 81.978 6.495 -2.366 1.00 0.00 H new ATOM 0 HB2 ALA A 25 81.371 4.842 -2.108 1.00 0.00 H new ATOM 0 HB3 ALA A 25 83.121 5.135 -2.252 1.00 0.00 H new ATOM 354 N ILE A 26 84.317 5.640 -4.863 1.00 0.00 N ATOM 355 CA ILE A 26 85.387 6.394 -5.511 1.00 0.00 C ATOM 356 C ILE A 26 85.366 6.166 -7.013 1.00 0.00 C ATOM 357 O ILE A 26 85.723 7.041 -7.800 1.00 0.00 O ATOM 358 CB ILE A 26 86.742 5.961 -4.957 1.00 0.00 C ATOM 359 CG1 ILE A 26 87.862 6.654 -5.753 1.00 0.00 C ATOM 360 CG2 ILE A 26 86.885 4.438 -5.046 1.00 0.00 C ATOM 361 CD1 ILE A 26 88.493 5.678 -6.752 1.00 0.00 C ATOM 0 H ILE A 26 84.604 4.744 -4.469 1.00 0.00 H new ATOM 0 HA ILE A 26 85.230 7.453 -5.308 1.00 0.00 H new ATOM 0 HB ILE A 26 86.816 6.251 -3.909 1.00 0.00 H new ATOM 0 HG12 ILE A 26 87.459 7.517 -6.283 1.00 0.00 H new ATOM 0 HG13 ILE A 26 88.624 7.028 -5.069 1.00 0.00 H new ATOM 0 HG21 ILE A 26 87.855 4.140 -4.648 1.00 0.00 H new ATOM 0 HG22 ILE A 26 86.094 3.964 -4.466 1.00 0.00 H new ATOM 0 HG23 ILE A 26 86.808 4.126 -6.087 1.00 0.00 H new ATOM 0 HD11 ILE A 26 89.283 6.185 -7.306 1.00 0.00 H new ATOM 0 HD12 ILE A 26 88.914 4.829 -6.214 1.00 0.00 H new ATOM 0 HD13 ILE A 26 87.731 5.325 -7.447 1.00 0.00 H new ATOM 373 N ASP A 27 84.972 4.962 -7.388 1.00 0.00 N ATOM 374 CA ASP A 27 84.931 4.570 -8.795 1.00 0.00 C ATOM 375 C ASP A 27 83.713 5.137 -9.526 1.00 0.00 C ATOM 376 O ASP A 27 83.639 5.066 -10.753 1.00 0.00 O ATOM 377 CB ASP A 27 84.915 3.044 -8.902 1.00 0.00 C ATOM 378 CG ASP A 27 86.116 2.565 -9.710 1.00 0.00 C ATOM 379 OD1 ASP A 27 86.018 2.546 -10.926 1.00 0.00 O ATOM 380 OD2 ASP A 27 87.117 2.224 -9.101 1.00 0.00 O ATOM 0 H ASP A 27 84.674 4.233 -6.739 1.00 0.00 H new ATOM 0 HA ASP A 27 85.822 4.980 -9.270 1.00 0.00 H new ATOM 0 HB2 ASP A 27 84.936 2.601 -7.906 1.00 0.00 H new ATOM 0 HB3 ASP A 27 83.991 2.714 -9.378 1.00 0.00 H new ATOM 385 N LEU A 28 82.755 5.689 -8.786 1.00 0.00 N ATOM 386 CA LEU A 28 81.555 6.239 -9.414 1.00 0.00 C ATOM 387 C LEU A 28 81.903 6.945 -10.728 1.00 0.00 C ATOM 388 O LEU A 28 82.403 8.070 -10.716 1.00 0.00 O ATOM 389 CB LEU A 28 80.863 7.233 -8.472 1.00 0.00 C ATOM 390 CG LEU A 28 80.449 6.522 -7.187 1.00 0.00 C ATOM 391 CD1 LEU A 28 79.667 7.476 -6.303 1.00 0.00 C ATOM 392 CD2 LEU A 28 79.566 5.312 -7.505 1.00 0.00 C ATOM 0 H LEU A 28 82.783 5.767 -7.769 1.00 0.00 H new ATOM 0 HA LEU A 28 80.879 5.410 -9.624 1.00 0.00 H new ATOM 0 HB2 LEU A 28 81.536 8.059 -8.241 1.00 0.00 H new ATOM 0 HB3 LEU A 28 79.988 7.662 -8.960 1.00 0.00 H new ATOM 0 HG LEU A 28 81.350 6.188 -6.674 1.00 0.00 H new ATOM 0 HD11 LEU A 28 79.373 6.965 -5.386 1.00 0.00 H new ATOM 0 HD12 LEU A 28 80.290 8.336 -6.055 1.00 0.00 H new ATOM 0 HD13 LEU A 28 78.776 7.814 -6.832 1.00 0.00 H new ATOM 0 HD21 LEU A 28 79.280 4.817 -6.577 1.00 0.00 H new ATOM 0 HD22 LEU A 28 78.670 5.643 -8.031 1.00 0.00 H new ATOM 0 HD23 LEU A 28 80.118 4.614 -8.134 1.00 0.00 H new ATOM 404 N PRO A 29 81.646 6.316 -11.855 1.00 0.00 N ATOM 405 CA PRO A 29 81.939 6.914 -13.190 1.00 0.00 C ATOM 406 C PRO A 29 81.389 8.333 -13.312 1.00 0.00 C ATOM 407 O PRO A 29 80.517 8.738 -12.545 1.00 0.00 O ATOM 408 CB PRO A 29 81.248 5.975 -14.182 1.00 0.00 C ATOM 409 CG PRO A 29 81.154 4.663 -13.482 1.00 0.00 C ATOM 410 CD PRO A 29 81.052 4.970 -11.989 1.00 0.00 C ATOM 0 HA PRO A 29 83.011 7.004 -13.367 1.00 0.00 H new ATOM 0 HB2 PRO A 29 80.260 6.348 -14.453 1.00 0.00 H new ATOM 0 HB3 PRO A 29 81.821 5.888 -15.105 1.00 0.00 H new ATOM 0 HG2 PRO A 29 80.283 4.104 -13.823 1.00 0.00 H new ATOM 0 HG3 PRO A 29 82.029 4.048 -13.692 1.00 0.00 H new ATOM 0 HD2 PRO A 29 80.016 4.956 -11.649 1.00 0.00 H new ATOM 0 HD3 PRO A 29 81.593 4.235 -11.393 1.00 0.00 H new ATOM 418 N GLN A 30 81.911 9.080 -14.279 1.00 0.00 N ATOM 419 CA GLN A 30 81.472 10.455 -14.500 1.00 0.00 C ATOM 420 C GLN A 30 79.945 10.556 -14.533 1.00 0.00 C ATOM 421 O GLN A 30 79.395 11.650 -14.671 1.00 0.00 O ATOM 422 CB GLN A 30 82.046 10.976 -15.818 1.00 0.00 C ATOM 423 CG GLN A 30 83.555 11.183 -15.672 1.00 0.00 C ATOM 424 CD GLN A 30 84.111 11.872 -16.913 1.00 0.00 C ATOM 425 OE1 GLN A 30 84.697 11.218 -17.777 1.00 0.00 O ATOM 426 NE2 GLN A 30 83.965 13.161 -17.054 1.00 0.00 N ATOM 0 H GLN A 30 82.636 8.759 -14.921 1.00 0.00 H new ATOM 0 HA GLN A 30 81.836 11.061 -13.670 1.00 0.00 H new ATOM 0 HB2 GLN A 30 81.842 10.268 -16.621 1.00 0.00 H new ATOM 0 HB3 GLN A 30 81.564 11.915 -16.091 1.00 0.00 H new ATOM 0 HG2 GLN A 30 83.764 11.785 -14.788 1.00 0.00 H new ATOM 0 HG3 GLN A 30 84.050 10.222 -15.527 1.00 0.00 H new ATOM 0 HE21 GLN A 30 83.479 13.701 -16.337 1.00 0.00 H new ATOM 0 HE22 GLN A 30 84.336 13.629 -17.881 1.00 0.00 H new ATOM 435 N ASP A 31 79.261 9.419 -14.405 1.00 0.00 N ATOM 436 CA ASP A 31 77.803 9.412 -14.420 1.00 0.00 C ATOM 437 C ASP A 31 77.257 9.675 -13.019 1.00 0.00 C ATOM 438 O ASP A 31 76.050 9.823 -12.829 1.00 0.00 O ATOM 439 CB ASP A 31 77.291 8.061 -14.925 1.00 0.00 C ATOM 440 CG ASP A 31 76.909 7.175 -13.746 1.00 0.00 C ATOM 441 OD1 ASP A 31 77.768 6.924 -12.916 1.00 0.00 O ATOM 442 OD2 ASP A 31 75.764 6.758 -13.690 1.00 0.00 O ATOM 0 H ASP A 31 79.690 8.501 -14.291 1.00 0.00 H new ATOM 0 HA ASP A 31 77.459 10.201 -15.089 1.00 0.00 H new ATOM 0 HB2 ASP A 31 76.428 8.209 -15.574 1.00 0.00 H new ATOM 0 HB3 ASP A 31 78.060 7.572 -15.524 1.00 0.00 H new ATOM 447 N ALA A 32 78.158 9.743 -12.044 1.00 0.00 N ATOM 448 CA ALA A 32 77.763 10.003 -10.663 1.00 0.00 C ATOM 449 C ALA A 32 78.805 10.882 -9.979 1.00 0.00 C ATOM 450 O ALA A 32 79.419 10.488 -8.988 1.00 0.00 O ATOM 451 CB ALA A 32 77.600 8.685 -9.895 1.00 0.00 C ATOM 0 H ALA A 32 79.161 9.623 -12.183 1.00 0.00 H new ATOM 0 HA ALA A 32 76.805 10.524 -10.666 1.00 0.00 H new ATOM 0 HB1 ALA A 32 77.305 8.897 -8.867 1.00 0.00 H new ATOM 0 HB2 ALA A 32 76.833 8.077 -10.374 1.00 0.00 H new ATOM 0 HB3 ALA A 32 78.546 8.143 -9.897 1.00 0.00 H new ATOM 457 N PRO A 33 79.012 12.067 -10.495 1.00 0.00 N ATOM 458 CA PRO A 33 79.997 13.029 -9.930 1.00 0.00 C ATOM 459 C PRO A 33 79.908 13.099 -8.411 1.00 0.00 C ATOM 460 O PRO A 33 80.763 13.692 -7.751 1.00 0.00 O ATOM 461 CB PRO A 33 79.601 14.361 -10.566 1.00 0.00 C ATOM 462 CG PRO A 33 78.941 14.005 -11.858 1.00 0.00 C ATOM 463 CD PRO A 33 78.328 12.613 -11.678 1.00 0.00 C ATOM 0 HA PRO A 33 81.027 12.744 -10.142 1.00 0.00 H new ATOM 0 HB2 PRO A 33 78.923 14.919 -9.920 1.00 0.00 H new ATOM 0 HB3 PRO A 33 80.474 14.992 -10.732 1.00 0.00 H new ATOM 0 HG2 PRO A 33 78.173 14.735 -12.113 1.00 0.00 H new ATOM 0 HG3 PRO A 33 79.664 14.006 -12.674 1.00 0.00 H new ATOM 0 HD2 PRO A 33 77.250 12.669 -11.524 1.00 0.00 H new ATOM 0 HD3 PRO A 33 78.492 11.989 -12.556 1.00 0.00 H new ATOM 471 N ASN A 34 78.866 12.485 -7.865 1.00 0.00 N ATOM 472 CA ASN A 34 78.663 12.474 -6.424 1.00 0.00 C ATOM 473 C ASN A 34 79.616 11.490 -5.754 1.00 0.00 C ATOM 474 O ASN A 34 79.301 10.917 -4.715 1.00 0.00 O ATOM 475 CB ASN A 34 77.219 12.084 -6.104 1.00 0.00 C ATOM 476 CG ASN A 34 76.268 13.180 -6.572 1.00 0.00 C ATOM 477 OD1 ASN A 34 76.664 14.063 -7.333 1.00 0.00 O ATOM 478 ND2 ASN A 34 75.030 13.175 -6.161 1.00 0.00 N ATOM 0 H ASN A 34 78.151 11.990 -8.397 1.00 0.00 H new ATOM 0 HA ASN A 34 78.864 13.474 -6.041 1.00 0.00 H new ATOM 0 HB2 ASN A 34 76.971 11.142 -6.593 1.00 0.00 H new ATOM 0 HB3 ASN A 34 77.105 11.926 -5.032 1.00 0.00 H new ATOM 0 HD21 ASN A 34 74.387 13.904 -6.470 1.00 0.00 H new ATOM 0 HD22 ASN A 34 74.705 12.442 -5.531 1.00 0.00 H new ATOM 485 N ARG A 35 80.788 11.303 -6.347 1.00 0.00 N ATOM 486 CA ARG A 35 81.772 10.389 -5.779 1.00 0.00 C ATOM 487 C ARG A 35 82.019 10.754 -4.321 1.00 0.00 C ATOM 488 O ARG A 35 82.123 9.882 -3.461 1.00 0.00 O ATOM 489 CB ARG A 35 83.090 10.456 -6.559 1.00 0.00 C ATOM 490 CG ARG A 35 82.850 11.068 -7.942 1.00 0.00 C ATOM 491 CD ARG A 35 84.075 10.834 -8.826 1.00 0.00 C ATOM 492 NE ARG A 35 84.268 9.408 -9.059 1.00 0.00 N ATOM 493 CZ ARG A 35 85.243 8.967 -9.847 1.00 0.00 C ATOM 494 NH1 ARG A 35 86.052 9.815 -10.421 1.00 0.00 N ATOM 495 NH2 ARG A 35 85.392 7.687 -10.047 1.00 0.00 N ATOM 0 H ARG A 35 81.079 11.764 -7.209 1.00 0.00 H new ATOM 0 HA ARG A 35 81.384 9.372 -5.845 1.00 0.00 H new ATOM 0 HB2 ARG A 35 83.817 11.053 -6.009 1.00 0.00 H new ATOM 0 HB3 ARG A 35 83.512 9.456 -6.663 1.00 0.00 H new ATOM 0 HG2 ARG A 35 81.968 10.621 -8.400 1.00 0.00 H new ATOM 0 HG3 ARG A 35 82.655 12.136 -7.849 1.00 0.00 H new ATOM 0 HD2 ARG A 35 83.949 11.351 -9.777 1.00 0.00 H new ATOM 0 HD3 ARG A 35 84.961 11.254 -8.350 1.00 0.00 H new ATOM 0 HE ARG A 35 83.644 8.738 -8.610 1.00 0.00 H new ATOM 0 HH11 ARG A 35 85.936 10.816 -10.265 1.00 0.00 H new ATOM 0 HH12 ARG A 35 86.800 9.477 -11.026 1.00 0.00 H new ATOM 0 HH21 ARG A 35 84.760 7.024 -9.599 1.00 0.00 H new ATOM 0 HH22 ARG A 35 86.141 7.349 -10.652 1.00 0.00 H new ATOM 509 N GLN A 36 82.100 12.053 -4.051 1.00 0.00 N ATOM 510 CA GLN A 36 82.321 12.531 -2.692 1.00 0.00 C ATOM 511 C GLN A 36 81.033 12.449 -1.877 1.00 0.00 C ATOM 512 O GLN A 36 81.060 12.141 -0.685 1.00 0.00 O ATOM 513 CB GLN A 36 82.814 13.979 -2.716 1.00 0.00 C ATOM 514 CG GLN A 36 84.178 14.044 -3.407 1.00 0.00 C ATOM 515 CD GLN A 36 84.333 15.381 -4.123 1.00 0.00 C ATOM 516 OE1 GLN A 36 85.380 16.022 -4.023 1.00 0.00 O ATOM 517 NE2 GLN A 36 83.348 15.844 -4.842 1.00 0.00 N ATOM 0 H GLN A 36 82.016 12.790 -4.752 1.00 0.00 H new ATOM 0 HA GLN A 36 83.076 11.897 -2.227 1.00 0.00 H new ATOM 0 HB2 GLN A 36 82.098 14.609 -3.243 1.00 0.00 H new ATOM 0 HB3 GLN A 36 82.891 14.365 -1.699 1.00 0.00 H new ATOM 0 HG2 GLN A 36 84.974 13.920 -2.673 1.00 0.00 H new ATOM 0 HG3 GLN A 36 84.273 13.226 -4.121 1.00 0.00 H new ATOM 0 HE21 GLN A 36 82.482 15.312 -4.923 1.00 0.00 H new ATOM 0 HE22 GLN A 36 83.444 16.738 -5.323 1.00 0.00 H new ATOM 526 N GLU A 37 79.909 12.735 -2.526 1.00 0.00 N ATOM 527 CA GLU A 37 78.618 12.700 -1.849 1.00 0.00 C ATOM 528 C GLU A 37 78.184 11.266 -1.576 1.00 0.00 C ATOM 529 O GLU A 37 77.939 10.896 -0.428 1.00 0.00 O ATOM 530 CB GLU A 37 77.559 13.405 -2.699 1.00 0.00 C ATOM 531 CG GLU A 37 77.163 14.725 -2.034 1.00 0.00 C ATOM 532 CD GLU A 37 78.378 15.640 -1.923 1.00 0.00 C ATOM 533 OE1 GLU A 37 79.484 15.141 -2.053 1.00 0.00 O ATOM 534 OE2 GLU A 37 78.184 16.825 -1.710 1.00 0.00 O ATOM 0 H GLU A 37 79.866 12.992 -3.512 1.00 0.00 H new ATOM 0 HA GLU A 37 78.722 13.218 -0.896 1.00 0.00 H new ATOM 0 HB2 GLU A 37 77.947 13.593 -3.700 1.00 0.00 H new ATOM 0 HB3 GLU A 37 76.683 12.766 -2.811 1.00 0.00 H new ATOM 0 HG2 GLU A 37 76.381 15.214 -2.615 1.00 0.00 H new ATOM 0 HG3 GLU A 37 76.751 14.533 -1.043 1.00 0.00 H new ATOM 541 N VAL A 38 78.100 10.455 -2.625 1.00 0.00 N ATOM 542 CA VAL A 38 77.706 9.068 -2.445 1.00 0.00 C ATOM 543 C VAL A 38 78.634 8.424 -1.426 1.00 0.00 C ATOM 544 O VAL A 38 78.206 7.626 -0.592 1.00 0.00 O ATOM 545 CB VAL A 38 77.767 8.314 -3.776 1.00 0.00 C ATOM 546 CG1 VAL A 38 77.982 6.820 -3.513 1.00 0.00 C ATOM 547 CG2 VAL A 38 76.449 8.509 -4.528 1.00 0.00 C ATOM 0 H VAL A 38 78.295 10.728 -3.588 1.00 0.00 H new ATOM 0 HA VAL A 38 76.678 9.025 -2.084 1.00 0.00 H new ATOM 0 HB VAL A 38 78.594 8.700 -4.373 1.00 0.00 H new ATOM 0 HG11 VAL A 38 78.025 6.286 -4.462 1.00 0.00 H new ATOM 0 HG12 VAL A 38 78.918 6.677 -2.973 1.00 0.00 H new ATOM 0 HG13 VAL A 38 77.156 6.433 -2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 38 76.489 7.973 -5.477 1.00 0.00 H new ATOM 0 HG22 VAL A 38 75.626 8.122 -3.927 1.00 0.00 H new ATOM 0 HG23 VAL A 38 76.292 9.571 -4.717 1.00 0.00 H new ATOM 557 N GLN A 39 79.907 8.799 -1.490 1.00 0.00 N ATOM 558 CA GLN A 39 80.892 8.273 -0.554 1.00 0.00 C ATOM 559 C GLN A 39 80.441 8.542 0.877 1.00 0.00 C ATOM 560 O GLN A 39 80.677 7.733 1.774 1.00 0.00 O ATOM 561 CB GLN A 39 82.254 8.929 -0.790 1.00 0.00 C ATOM 562 CG GLN A 39 83.187 8.608 0.382 1.00 0.00 C ATOM 563 CD GLN A 39 83.047 9.662 1.477 1.00 0.00 C ATOM 564 OE1 GLN A 39 82.670 10.802 1.202 1.00 0.00 O ATOM 565 NE2 GLN A 39 83.332 9.347 2.711 1.00 0.00 N ATOM 0 H GLN A 39 80.278 9.459 -2.174 1.00 0.00 H new ATOM 0 HA GLN A 39 80.983 7.198 -0.712 1.00 0.00 H new ATOM 0 HB2 GLN A 39 82.687 8.567 -1.723 1.00 0.00 H new ATOM 0 HB3 GLN A 39 82.137 10.008 -0.890 1.00 0.00 H new ATOM 0 HG2 GLN A 39 82.951 7.623 0.784 1.00 0.00 H new ATOM 0 HG3 GLN A 39 84.219 8.571 0.034 1.00 0.00 H new ATOM 0 HE21 GLN A 39 83.644 8.403 2.937 1.00 0.00 H new ATOM 0 HE22 GLN A 39 83.243 10.045 3.449 1.00 0.00 H new ATOM 574 N ASP A 40 79.782 9.682 1.084 1.00 0.00 N ATOM 575 CA ASP A 40 79.297 10.035 2.413 1.00 0.00 C ATOM 576 C ASP A 40 78.390 8.933 2.941 1.00 0.00 C ATOM 577 O ASP A 40 78.527 8.497 4.084 1.00 0.00 O ATOM 578 CB ASP A 40 78.531 11.357 2.360 1.00 0.00 C ATOM 579 CG ASP A 40 78.316 11.894 3.770 1.00 0.00 C ATOM 580 OD1 ASP A 40 79.239 12.486 4.305 1.00 0.00 O ATOM 581 OD2 ASP A 40 77.231 11.706 4.294 1.00 0.00 O ATOM 0 H ASP A 40 79.575 10.367 0.357 1.00 0.00 H new ATOM 0 HA ASP A 40 80.150 10.148 3.082 1.00 0.00 H new ATOM 0 HB2 ASP A 40 79.085 12.084 1.766 1.00 0.00 H new ATOM 0 HB3 ASP A 40 77.570 11.210 1.868 1.00 0.00 H new ATOM 586 N THR A 41 77.475 8.472 2.096 1.00 0.00 N ATOM 587 CA THR A 41 76.568 7.406 2.493 1.00 0.00 C ATOM 588 C THR A 41 77.376 6.194 2.935 1.00 0.00 C ATOM 589 O THR A 41 77.001 5.489 3.872 1.00 0.00 O ATOM 590 CB THR A 41 75.656 7.022 1.326 1.00 0.00 C ATOM 591 OG1 THR A 41 74.571 7.936 1.255 1.00 0.00 O ATOM 592 CG2 THR A 41 75.123 5.605 1.540 1.00 0.00 C ATOM 0 H THR A 41 77.343 8.815 1.144 1.00 0.00 H new ATOM 0 HA THR A 41 75.949 7.755 3.320 1.00 0.00 H new ATOM 0 HB THR A 41 76.220 7.057 0.394 1.00 0.00 H new ATOM 0 HG1 THR A 41 73.987 7.693 0.507 1.00 0.00 H new ATOM 0 HG21 THR A 41 74.473 5.331 0.709 1.00 0.00 H new ATOM 0 HG22 THR A 41 75.958 4.906 1.593 1.00 0.00 H new ATOM 0 HG23 THR A 41 74.557 5.566 2.471 1.00 0.00 H new ATOM 600 N ALA A 42 78.503 5.971 2.263 1.00 0.00 N ATOM 601 CA ALA A 42 79.374 4.854 2.602 1.00 0.00 C ATOM 602 C ALA A 42 79.986 5.078 3.979 1.00 0.00 C ATOM 603 O ALA A 42 80.231 4.130 4.724 1.00 0.00 O ATOM 604 CB ALA A 42 80.486 4.717 1.561 1.00 0.00 C ATOM 0 H ALA A 42 78.831 6.546 1.487 1.00 0.00 H new ATOM 0 HA ALA A 42 78.784 3.938 2.613 1.00 0.00 H new ATOM 0 HB1 ALA A 42 81.131 3.879 1.825 1.00 0.00 H new ATOM 0 HB2 ALA A 42 80.046 4.541 0.579 1.00 0.00 H new ATOM 0 HB3 ALA A 42 81.075 5.634 1.535 1.00 0.00 H new ATOM 610 N ARG A 43 80.222 6.343 4.314 1.00 0.00 N ATOM 611 CA ARG A 43 80.795 6.681 5.611 1.00 0.00 C ATOM 612 C ARG A 43 79.991 6.009 6.717 1.00 0.00 C ATOM 613 O ARG A 43 80.555 5.409 7.632 1.00 0.00 O ATOM 614 CB ARG A 43 80.787 8.197 5.811 1.00 0.00 C ATOM 615 CG ARG A 43 81.871 8.583 6.818 1.00 0.00 C ATOM 616 CD ARG A 43 81.875 10.100 7.008 1.00 0.00 C ATOM 617 NE ARG A 43 80.523 10.581 7.264 1.00 0.00 N ATOM 618 CZ ARG A 43 80.277 11.873 7.443 1.00 0.00 C ATOM 619 NH1 ARG A 43 81.255 12.736 7.392 1.00 0.00 N ATOM 620 NH2 ARG A 43 79.057 12.281 7.667 1.00 0.00 N ATOM 0 H ARG A 43 80.027 7.143 3.712 1.00 0.00 H new ATOM 0 HA ARG A 43 81.825 6.327 5.648 1.00 0.00 H new ATOM 0 HB2 ARG A 43 80.962 8.701 4.861 1.00 0.00 H new ATOM 0 HB3 ARG A 43 79.810 8.522 6.169 1.00 0.00 H new ATOM 0 HG2 ARG A 43 81.689 8.087 7.772 1.00 0.00 H new ATOM 0 HG3 ARG A 43 82.846 8.248 6.465 1.00 0.00 H new ATOM 0 HD2 ARG A 43 82.527 10.368 7.839 1.00 0.00 H new ATOM 0 HD3 ARG A 43 82.278 10.584 6.118 1.00 0.00 H new ATOM 0 HE ARG A 43 79.753 9.913 7.306 1.00 0.00 H new ATOM 0 HH11 ARG A 43 82.208 12.417 7.215 1.00 0.00 H new ATOM 0 HH12 ARG A 43 81.067 13.729 7.529 1.00 0.00 H new ATOM 0 HH21 ARG A 43 78.293 11.607 7.705 1.00 0.00 H new ATOM 0 HH22 ARG A 43 78.868 13.274 7.805 1.00 0.00 H new ATOM 634 N GLY A 44 78.670 6.103 6.615 1.00 0.00 N ATOM 635 CA GLY A 44 77.796 5.484 7.606 1.00 0.00 C ATOM 636 C GLY A 44 78.082 3.990 7.690 1.00 0.00 C ATOM 637 O GLY A 44 78.230 3.432 8.777 1.00 0.00 O ATOM 0 H GLY A 44 78.184 6.596 5.865 1.00 0.00 H new ATOM 0 HA2 GLY A 44 77.951 5.948 8.580 1.00 0.00 H new ATOM 0 HA3 GLY A 44 76.753 5.649 7.337 1.00 0.00 H new ATOM 641 N GLN A 45 78.179 3.353 6.528 1.00 0.00 N ATOM 642 CA GLN A 45 78.471 1.928 6.470 1.00 0.00 C ATOM 643 C GLN A 45 79.790 1.658 7.179 1.00 0.00 C ATOM 644 O GLN A 45 79.885 0.771 8.026 1.00 0.00 O ATOM 645 CB GLN A 45 78.560 1.466 5.013 1.00 0.00 C ATOM 646 CG GLN A 45 77.175 1.029 4.532 1.00 0.00 C ATOM 647 CD GLN A 45 77.138 1.000 3.008 1.00 0.00 C ATOM 648 OE1 GLN A 45 78.158 0.524 2.348 1.00 0.00 O flip ATOM 649 NE2 GLN A 45 76.153 1.421 2.402 1.00 0.00 N flip ATOM 0 H GLN A 45 78.060 3.799 5.619 1.00 0.00 H new ATOM 0 HA GLN A 45 77.671 1.376 6.963 1.00 0.00 H new ATOM 0 HB2 GLN A 45 78.936 2.274 4.386 1.00 0.00 H new ATOM 0 HB3 GLN A 45 79.265 0.640 4.925 1.00 0.00 H new ATOM 0 HG2 GLN A 45 76.938 0.042 4.929 1.00 0.00 H new ATOM 0 HG3 GLN A 45 76.417 1.715 4.910 1.00 0.00 H new ATOM 0 HE21 GLN A 45 75.356 1.793 2.919 1.00 0.00 H new ATOM 0 HE22 GLN A 45 76.133 1.398 1.382 1.00 0.00 H new ATOM 658 N ILE A 46 80.804 2.454 6.846 1.00 0.00 N ATOM 659 CA ILE A 46 82.105 2.313 7.479 1.00 0.00 C ATOM 660 C ILE A 46 81.935 2.422 8.983 1.00 0.00 C ATOM 661 O ILE A 46 82.445 1.597 9.741 1.00 0.00 O ATOM 662 CB ILE A 46 83.055 3.404 6.982 1.00 0.00 C ATOM 663 CG1 ILE A 46 83.765 2.921 5.715 1.00 0.00 C ATOM 664 CG2 ILE A 46 84.093 3.712 8.062 1.00 0.00 C ATOM 665 CD1 ILE A 46 84.302 4.125 4.938 1.00 0.00 C ATOM 0 H ILE A 46 80.747 3.195 6.148 1.00 0.00 H new ATOM 0 HA ILE A 46 82.530 1.342 7.225 1.00 0.00 H new ATOM 0 HB ILE A 46 82.486 4.307 6.760 1.00 0.00 H new ATOM 0 HG12 ILE A 46 84.583 2.250 5.977 1.00 0.00 H new ATOM 0 HG13 ILE A 46 83.074 2.352 5.093 1.00 0.00 H new ATOM 0 HG21 ILE A 46 84.769 4.490 7.706 1.00 0.00 H new ATOM 0 HG22 ILE A 46 83.588 4.056 8.965 1.00 0.00 H new ATOM 0 HG23 ILE A 46 84.663 2.811 8.286 1.00 0.00 H new ATOM 0 HD11 ILE A 46 84.807 3.780 4.036 1.00 0.00 H new ATOM 0 HD12 ILE A 46 83.474 4.779 4.663 1.00 0.00 H new ATOM 0 HD13 ILE A 46 85.007 4.675 5.561 1.00 0.00 H new ATOM 677 N ASN A 47 81.187 3.433 9.407 1.00 0.00 N ATOM 678 CA ASN A 47 80.925 3.623 10.822 1.00 0.00 C ATOM 679 C ASN A 47 80.111 2.445 11.336 1.00 0.00 C ATOM 680 O ASN A 47 80.167 2.094 12.513 1.00 0.00 O ATOM 681 CB ASN A 47 80.154 4.925 11.049 1.00 0.00 C ATOM 682 CG ASN A 47 81.098 6.117 10.928 1.00 0.00 C ATOM 683 OD1 ASN A 47 82.046 6.241 11.704 1.00 0.00 O ATOM 684 ND2 ASN A 47 80.894 7.006 9.995 1.00 0.00 N ATOM 0 H ASN A 47 80.756 4.126 8.795 1.00 0.00 H new ATOM 0 HA ASN A 47 81.871 3.683 11.360 1.00 0.00 H new ATOM 0 HB2 ASN A 47 79.349 5.013 10.320 1.00 0.00 H new ATOM 0 HB3 ASN A 47 79.691 4.916 12.036 1.00 0.00 H new ATOM 0 HD21 ASN A 47 81.521 7.806 9.907 1.00 0.00 H new ATOM 0 HD22 ASN A 47 80.108 6.901 9.353 1.00 0.00 H new ATOM 691 N ASP A 48 79.351 1.840 10.427 1.00 0.00 N ATOM 692 CA ASP A 48 78.516 0.697 10.771 1.00 0.00 C ATOM 693 C ASP A 48 79.348 -0.558 10.977 1.00 0.00 C ATOM 694 O ASP A 48 79.184 -1.272 11.964 1.00 0.00 O ATOM 695 CB ASP A 48 77.503 0.447 9.661 1.00 0.00 C ATOM 696 CG ASP A 48 76.249 -0.199 10.235 1.00 0.00 C ATOM 697 OD1 ASP A 48 76.359 -0.853 11.259 1.00 0.00 O ATOM 698 OD2 ASP A 48 75.197 -0.027 9.642 1.00 0.00 O ATOM 0 H ASP A 48 79.297 2.123 9.449 1.00 0.00 H new ATOM 0 HA ASP A 48 78.003 0.928 11.705 1.00 0.00 H new ATOM 0 HB2 ASP A 48 77.247 1.387 9.173 1.00 0.00 H new ATOM 0 HB3 ASP A 48 77.939 -0.199 8.899 1.00 0.00 H new ATOM 703 N TYR A 49 80.229 -0.836 10.033 1.00 0.00 N ATOM 704 CA TYR A 49 81.062 -2.019 10.127 1.00 0.00 C ATOM 705 C TYR A 49 82.133 -1.841 11.197 1.00 0.00 C ATOM 706 O TYR A 49 82.277 -2.670 12.094 1.00 0.00 O ATOM 707 CB TYR A 49 81.727 -2.301 8.777 1.00 0.00 C ATOM 708 CG TYR A 49 82.954 -3.161 8.982 1.00 0.00 C ATOM 709 CD1 TYR A 49 82.905 -4.268 9.839 1.00 0.00 C ATOM 710 CD2 TYR A 49 84.145 -2.849 8.313 1.00 0.00 C ATOM 711 CE1 TYR A 49 84.044 -5.060 10.027 1.00 0.00 C ATOM 712 CE2 TYR A 49 85.284 -3.641 8.501 1.00 0.00 C ATOM 713 CZ TYR A 49 85.233 -4.747 9.358 1.00 0.00 C ATOM 714 OH TYR A 49 86.356 -5.528 9.544 1.00 0.00 O ATOM 0 H TYR A 49 80.385 -0.266 9.202 1.00 0.00 H new ATOM 0 HA TYR A 49 80.429 -2.862 10.403 1.00 0.00 H new ATOM 0 HB2 TYR A 49 81.025 -2.805 8.113 1.00 0.00 H new ATOM 0 HB3 TYR A 49 82.005 -1.364 8.295 1.00 0.00 H new ATOM 0 HD1 TYR A 49 81.988 -4.511 10.355 1.00 0.00 H new ATOM 0 HD2 TYR A 49 84.184 -1.996 7.651 1.00 0.00 H new ATOM 0 HE1 TYR A 49 84.005 -5.913 10.688 1.00 0.00 H new ATOM 0 HE2 TYR A 49 86.202 -3.399 7.985 1.00 0.00 H new ATOM 0 HH TYR A 49 87.103 -5.155 9.031 1.00 0.00 H new ATOM 724 N ILE A 50 82.899 -0.764 11.076 1.00 0.00 N ATOM 725 CA ILE A 50 83.980 -0.489 12.016 1.00 0.00 C ATOM 726 C ILE A 50 83.484 0.032 13.368 1.00 0.00 C ATOM 727 O ILE A 50 84.139 -0.188 14.387 1.00 0.00 O ATOM 728 CB ILE A 50 84.945 0.525 11.403 1.00 0.00 C ATOM 729 CG1 ILE A 50 85.803 -0.173 10.344 1.00 0.00 C ATOM 730 CG2 ILE A 50 85.849 1.095 12.496 1.00 0.00 C ATOM 731 CD1 ILE A 50 86.269 0.848 9.304 1.00 0.00 C ATOM 0 H ILE A 50 82.793 -0.068 10.338 1.00 0.00 H new ATOM 0 HA ILE A 50 84.484 -1.437 12.205 1.00 0.00 H new ATOM 0 HB ILE A 50 84.380 1.335 10.942 1.00 0.00 H new ATOM 0 HG12 ILE A 50 86.665 -0.647 10.814 1.00 0.00 H new ATOM 0 HG13 ILE A 50 85.229 -0.964 9.860 1.00 0.00 H new ATOM 0 HG21 ILE A 50 86.537 1.818 12.058 1.00 0.00 H new ATOM 0 HG22 ILE A 50 85.239 1.587 13.253 1.00 0.00 H new ATOM 0 HG23 ILE A 50 86.417 0.287 12.957 1.00 0.00 H new ATOM 0 HD11 ILE A 50 86.879 0.348 8.552 1.00 0.00 H new ATOM 0 HD12 ILE A 50 85.401 1.301 8.825 1.00 0.00 H new ATOM 0 HD13 ILE A 50 86.859 1.623 9.794 1.00 0.00 H new ATOM 743 N SER A 51 82.363 0.757 13.382 1.00 0.00 N ATOM 744 CA SER A 51 81.870 1.324 14.644 1.00 0.00 C ATOM 745 C SER A 51 80.563 0.693 15.132 1.00 0.00 C ATOM 746 O SER A 51 79.780 1.352 15.816 1.00 0.00 O ATOM 747 CB SER A 51 81.671 2.832 14.491 1.00 0.00 C ATOM 748 OG SER A 51 82.362 3.504 15.536 1.00 0.00 O ATOM 0 H SER A 51 81.793 0.962 12.562 1.00 0.00 H new ATOM 0 HA SER A 51 82.629 1.103 15.394 1.00 0.00 H new ATOM 0 HB2 SER A 51 82.043 3.163 13.521 1.00 0.00 H new ATOM 0 HB3 SER A 51 80.609 3.076 14.525 1.00 0.00 H new ATOM 0 HG SER A 51 82.238 4.471 15.441 1.00 0.00 H new ATOM 754 N ARG A 52 80.328 -0.573 14.809 1.00 0.00 N ATOM 755 CA ARG A 52 79.105 -1.233 15.269 1.00 0.00 C ATOM 756 C ARG A 52 79.194 -2.740 15.069 1.00 0.00 C ATOM 757 O ARG A 52 78.756 -3.516 15.920 1.00 0.00 O ATOM 758 CB ARG A 52 77.894 -0.649 14.525 1.00 0.00 C ATOM 759 CG ARG A 52 76.908 -1.748 14.090 1.00 0.00 C ATOM 760 CD ARG A 52 76.408 -2.516 15.314 1.00 0.00 C ATOM 761 NE ARG A 52 74.974 -2.303 15.486 1.00 0.00 N ATOM 762 CZ ARG A 52 74.252 -3.085 16.284 1.00 0.00 C ATOM 763 NH1 ARG A 52 74.826 -4.058 16.938 1.00 0.00 N ATOM 764 NH2 ARG A 52 72.970 -2.878 16.414 1.00 0.00 N ATOM 0 H ARG A 52 80.948 -1.154 14.245 1.00 0.00 H new ATOM 0 HA ARG A 52 78.984 -1.051 16.337 1.00 0.00 H new ATOM 0 HB2 ARG A 52 77.381 0.066 15.169 1.00 0.00 H new ATOM 0 HB3 ARG A 52 78.236 -0.099 13.648 1.00 0.00 H new ATOM 0 HG2 ARG A 52 76.066 -1.303 13.560 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.396 -2.432 13.396 1.00 0.00 H new ATOM 0 HD2 ARG A 52 76.614 -3.580 15.195 1.00 0.00 H new ATOM 0 HD3 ARG A 52 76.942 -2.185 16.204 1.00 0.00 H new ATOM 0 HE ARG A 52 74.517 -1.541 14.985 1.00 0.00 H new ATOM 0 HH11 ARG A 52 75.828 -4.219 16.837 1.00 0.00 H new ATOM 0 HH12 ARG A 52 74.272 -4.658 17.550 1.00 0.00 H new ATOM 0 HH21 ARG A 52 72.522 -2.117 15.904 1.00 0.00 H new ATOM 0 HH22 ARG A 52 72.416 -3.477 17.026 1.00 0.00 H new ATOM 778 N TYR A 53 79.757 -3.152 13.943 1.00 0.00 N ATOM 779 CA TYR A 53 79.882 -4.571 13.649 1.00 0.00 C ATOM 780 C TYR A 53 81.318 -4.924 13.258 1.00 0.00 C ATOM 781 O TYR A 53 81.553 -5.765 12.390 1.00 0.00 O ATOM 782 CB TYR A 53 78.910 -4.934 12.523 1.00 0.00 C ATOM 783 CG TYR A 53 77.894 -5.922 13.042 1.00 0.00 C ATOM 784 CD1 TYR A 53 78.295 -7.213 13.404 1.00 0.00 C ATOM 785 CD2 TYR A 53 76.550 -5.546 13.162 1.00 0.00 C ATOM 786 CE1 TYR A 53 77.352 -8.129 13.886 1.00 0.00 C ATOM 787 CE2 TYR A 53 75.608 -6.462 13.645 1.00 0.00 C ATOM 788 CZ TYR A 53 76.009 -7.754 14.007 1.00 0.00 C ATOM 789 OH TYR A 53 75.080 -8.657 14.482 1.00 0.00 O ATOM 0 H TYR A 53 80.131 -2.531 13.225 1.00 0.00 H new ATOM 0 HA TYR A 53 79.635 -5.146 14.542 1.00 0.00 H new ATOM 0 HB2 TYR A 53 78.409 -4.038 12.156 1.00 0.00 H new ATOM 0 HB3 TYR A 53 79.454 -5.362 11.681 1.00 0.00 H new ATOM 0 HD1 TYR A 53 79.331 -7.503 13.312 1.00 0.00 H new ATOM 0 HD2 TYR A 53 76.241 -4.550 12.882 1.00 0.00 H new ATOM 0 HE1 TYR A 53 77.661 -9.126 14.165 1.00 0.00 H new ATOM 0 HE2 TYR A 53 74.572 -6.172 13.738 1.00 0.00 H new ATOM 0 HH TYR A 53 74.196 -8.235 14.504 1.00 0.00 H new ATOM 799 N ARG A 54 82.278 -4.281 13.912 1.00 0.00 N ATOM 800 CA ARG A 54 83.687 -4.537 13.631 1.00 0.00 C ATOM 801 C ARG A 54 83.984 -6.034 13.677 1.00 0.00 C ATOM 802 O ARG A 54 85.064 -6.473 13.285 1.00 0.00 O ATOM 803 CB ARG A 54 84.564 -3.810 14.652 1.00 0.00 C ATOM 804 CG ARG A 54 84.703 -4.668 15.911 1.00 0.00 C ATOM 805 CD ARG A 54 84.990 -3.767 17.113 1.00 0.00 C ATOM 806 NE ARG A 54 85.990 -2.763 16.765 1.00 0.00 N ATOM 807 CZ ARG A 54 87.287 -2.980 16.965 1.00 0.00 C ATOM 808 NH1 ARG A 54 87.692 -4.113 17.475 1.00 0.00 N ATOM 809 NH2 ARG A 54 88.158 -2.062 16.648 1.00 0.00 N ATOM 0 H ARG A 54 82.109 -3.583 14.636 1.00 0.00 H new ATOM 0 HA ARG A 54 83.909 -4.166 12.630 1.00 0.00 H new ATOM 0 HB2 ARG A 54 85.547 -3.610 14.225 1.00 0.00 H new ATOM 0 HB3 ARG A 54 84.123 -2.845 14.904 1.00 0.00 H new ATOM 0 HG2 ARG A 54 83.788 -5.237 16.079 1.00 0.00 H new ATOM 0 HG3 ARG A 54 85.509 -5.391 15.784 1.00 0.00 H new ATOM 0 HD2 ARG A 54 84.071 -3.278 17.437 1.00 0.00 H new ATOM 0 HD3 ARG A 54 85.344 -4.368 17.951 1.00 0.00 H new ATOM 0 HE ARG A 54 85.688 -1.877 16.360 1.00 0.00 H new ATOM 0 HH11 ARG A 54 87.013 -4.833 17.721 1.00 0.00 H new ATOM 0 HH12 ARG A 54 88.687 -4.277 17.627 1.00 0.00 H new ATOM 0 HH21 ARG A 54 87.844 -1.178 16.247 1.00 0.00 H new ATOM 0 HH22 ARG A 54 89.153 -2.228 16.801 1.00 0.00 H new ATOM 823 N ARG A 55 83.020 -6.810 14.160 1.00 0.00 N ATOM 824 CA ARG A 55 83.193 -8.256 14.253 1.00 0.00 C ATOM 825 C ARG A 55 82.488 -8.957 13.095 1.00 0.00 C ATOM 826 O ARG A 55 81.325 -8.679 12.805 1.00 0.00 O ATOM 827 CB ARG A 55 82.627 -8.766 15.579 1.00 0.00 C ATOM 828 CG ARG A 55 83.487 -9.922 16.092 1.00 0.00 C ATOM 829 CD ARG A 55 82.862 -10.505 17.362 1.00 0.00 C ATOM 830 NE ARG A 55 81.721 -11.351 17.024 1.00 0.00 N ATOM 831 CZ ARG A 55 80.481 -10.867 17.006 1.00 0.00 C ATOM 832 NH1 ARG A 55 80.261 -9.610 17.278 1.00 0.00 N ATOM 833 NH2 ARG A 55 79.481 -11.653 16.711 1.00 0.00 N ATOM 0 H ARG A 55 82.118 -6.467 14.491 1.00 0.00 H new ATOM 0 HA ARG A 55 84.259 -8.478 14.203 1.00 0.00 H new ATOM 0 HB2 ARG A 55 82.608 -7.960 16.312 1.00 0.00 H new ATOM 0 HB3 ARG A 55 81.597 -9.097 15.443 1.00 0.00 H new ATOM 0 HG2 ARG A 55 83.569 -10.695 15.327 1.00 0.00 H new ATOM 0 HG3 ARG A 55 84.498 -9.572 16.300 1.00 0.00 H new ATOM 0 HD2 ARG A 55 83.605 -11.086 17.907 1.00 0.00 H new ATOM 0 HD3 ARG A 55 82.542 -9.698 18.021 1.00 0.00 H new ATOM 0 HE ARG A 55 81.877 -12.333 16.797 1.00 0.00 H new ATOM 0 HH11 ARG A 55 81.041 -8.993 17.506 1.00 0.00 H new ATOM 0 HH12 ARG A 55 79.309 -9.244 17.263 1.00 0.00 H new ATOM 0 HH21 ARG A 55 79.651 -12.635 16.495 1.00 0.00 H new ATOM 0 HH22 ARG A 55 78.530 -11.285 16.697 1.00 0.00 H new ATOM 847 N LYS A 56 83.200 -9.868 12.439 1.00 0.00 N ATOM 848 CA LYS A 56 82.630 -10.604 11.316 1.00 0.00 C ATOM 849 C LYS A 56 83.116 -12.050 11.319 1.00 0.00 C ATOM 850 O LYS A 56 82.583 -12.895 10.598 1.00 0.00 O ATOM 851 CB LYS A 56 83.021 -9.935 9.996 1.00 0.00 C ATOM 852 CG LYS A 56 84.544 -9.784 9.930 1.00 0.00 C ATOM 853 CD LYS A 56 85.055 -10.255 8.564 1.00 0.00 C ATOM 854 CE LYS A 56 84.570 -9.297 7.475 1.00 0.00 C ATOM 855 NZ LYS A 56 85.208 -7.963 7.664 1.00 0.00 N ATOM 0 H LYS A 56 84.165 -10.113 12.663 1.00 0.00 H new ATOM 0 HA LYS A 56 81.545 -10.597 11.418 1.00 0.00 H new ATOM 0 HB2 LYS A 56 82.667 -10.532 9.155 1.00 0.00 H new ATOM 0 HB3 LYS A 56 82.544 -8.958 9.916 1.00 0.00 H new ATOM 0 HG2 LYS A 56 84.823 -8.743 10.093 1.00 0.00 H new ATOM 0 HG3 LYS A 56 85.011 -10.367 10.724 1.00 0.00 H new ATOM 0 HD2 LYS A 56 86.144 -10.297 8.567 1.00 0.00 H new ATOM 0 HD3 LYS A 56 84.698 -11.264 8.359 1.00 0.00 H new ATOM 0 HE2 LYS A 56 84.818 -9.694 6.490 1.00 0.00 H new ATOM 0 HE3 LYS A 56 83.485 -9.202 7.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 85.192 -7.440 6.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 84.685 -7.427 8.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 86.193 -8.090 7.973 1.00 0.00 H new ATOM 869 N GLY A 57 84.127 -12.331 12.134 1.00 0.00 N ATOM 870 CA GLY A 57 84.672 -13.681 12.220 1.00 0.00 C ATOM 871 C GLY A 57 86.197 -13.660 12.207 1.00 0.00 C ATOM 872 O GLY A 57 86.840 -13.964 13.212 1.00 0.00 O ATOM 0 H GLY A 57 84.583 -11.648 12.740 1.00 0.00 H new ATOM 0 HA2 GLY A 57 84.320 -14.161 13.133 1.00 0.00 H new ATOM 0 HA3 GLY A 57 84.306 -14.278 11.384 1.00 0.00 H new ATOM 876 N ASP A 58 86.770 -13.303 11.062 1.00 0.00 N ATOM 877 CA ASP A 58 88.222 -13.250 10.929 1.00 0.00 C ATOM 878 C ASP A 58 88.832 -14.626 11.178 1.00 0.00 C ATOM 879 O ASP A 58 88.998 -15.044 12.325 1.00 0.00 O ATOM 880 CB ASP A 58 88.802 -12.242 11.926 1.00 0.00 C ATOM 881 CG ASP A 58 89.427 -11.071 11.176 1.00 0.00 C ATOM 882 OD1 ASP A 58 90.168 -11.320 10.239 1.00 0.00 O ATOM 883 OD2 ASP A 58 89.156 -9.941 11.549 1.00 0.00 O ATOM 0 H ASP A 58 86.256 -13.048 10.219 1.00 0.00 H new ATOM 0 HA ASP A 58 88.465 -12.936 9.914 1.00 0.00 H new ATOM 0 HB2 ASP A 58 88.017 -11.882 12.591 1.00 0.00 H new ATOM 0 HB3 ASP A 58 89.552 -12.726 12.551 1.00 0.00 H new ATOM 912 N LEU A 62 92.497 -13.568 6.676 1.00 0.00 N ATOM 913 CA LEU A 62 91.705 -12.617 5.904 1.00 0.00 C ATOM 914 C LEU A 62 92.552 -11.414 5.504 1.00 0.00 C ATOM 915 O LEU A 62 92.637 -10.430 6.239 1.00 0.00 O ATOM 916 CB LEU A 62 90.501 -12.150 6.727 1.00 0.00 C ATOM 917 CG LEU A 62 89.210 -12.591 6.038 1.00 0.00 C ATOM 918 CD1 LEU A 62 89.126 -14.118 6.034 1.00 0.00 C ATOM 919 CD2 LEU A 62 88.009 -12.016 6.792 1.00 0.00 C ATOM 0 HA LEU A 62 91.354 -13.114 5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 62 90.550 -12.568 7.732 1.00 0.00 H new ATOM 0 HB3 LEU A 62 90.517 -11.065 6.832 1.00 0.00 H new ATOM 0 HG LEU A 62 89.205 -12.226 5.011 1.00 0.00 H new ATOM 0 HD11 LEU A 62 88.205 -14.430 5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 62 89.981 -14.528 5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 62 89.132 -14.485 7.060 1.00 0.00 H new ATOM 0 HD21 LEU A 62 87.087 -12.330 6.302 1.00 0.00 H new ATOM 0 HD22 LEU A 62 88.016 -12.381 7.819 1.00 0.00 H new ATOM 0 HD23 LEU A 62 88.067 -10.928 6.793 1.00 0.00 H new ATOM 931 N LYS A 63 93.177 -11.499 4.334 1.00 0.00 N ATOM 932 CA LYS A 63 94.013 -10.408 3.848 1.00 0.00 C ATOM 933 C LYS A 63 93.153 -9.326 3.204 1.00 0.00 C ATOM 934 O LYS A 63 93.582 -8.180 3.061 1.00 0.00 O ATOM 935 CB LYS A 63 95.024 -10.937 2.828 1.00 0.00 C ATOM 936 CG LYS A 63 96.192 -9.957 2.712 1.00 0.00 C ATOM 937 CD LYS A 63 97.201 -10.231 3.831 1.00 0.00 C ATOM 938 CE LYS A 63 98.341 -11.094 3.289 1.00 0.00 C ATOM 939 NZ LYS A 63 99.191 -11.561 4.422 1.00 0.00 N ATOM 0 H LYS A 63 93.121 -12.304 3.710 1.00 0.00 H new ATOM 0 HA LYS A 63 94.547 -9.977 4.695 1.00 0.00 H new ATOM 0 HB2 LYS A 63 95.387 -11.918 3.135 1.00 0.00 H new ATOM 0 HB3 LYS A 63 94.545 -11.064 1.857 1.00 0.00 H new ATOM 0 HG2 LYS A 63 96.674 -10.062 1.740 1.00 0.00 H new ATOM 0 HG3 LYS A 63 95.828 -8.932 2.779 1.00 0.00 H new ATOM 0 HD2 LYS A 63 97.595 -9.291 4.219 1.00 0.00 H new ATOM 0 HD3 LYS A 63 96.710 -10.738 4.662 1.00 0.00 H new ATOM 0 HE2 LYS A 63 97.938 -11.949 2.746 1.00 0.00 H new ATOM 0 HE3 LYS A 63 98.941 -10.521 2.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 99.967 -12.148 4.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 99.586 -10.739 4.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 98.614 -12.122 5.081 1.00 0.00 H new ATOM 953 N SER A 64 91.934 -9.696 2.819 1.00 0.00 N ATOM 954 CA SER A 64 91.020 -8.746 2.195 1.00 0.00 C ATOM 955 C SER A 64 90.649 -7.640 3.177 1.00 0.00 C ATOM 956 O SER A 64 90.722 -6.456 2.850 1.00 0.00 O ATOM 957 CB SER A 64 89.752 -9.466 1.736 1.00 0.00 C ATOM 958 OG SER A 64 89.540 -10.611 2.551 1.00 0.00 O ATOM 0 H SER A 64 91.560 -10.639 2.927 1.00 0.00 H new ATOM 0 HA SER A 64 91.518 -8.302 1.333 1.00 0.00 H new ATOM 0 HB2 SER A 64 88.895 -8.795 1.802 1.00 0.00 H new ATOM 0 HB3 SER A 64 89.846 -9.762 0.691 1.00 0.00 H new ATOM 0 HG SER A 64 88.727 -11.074 2.260 1.00 0.00 H new ATOM 964 N PHE A 65 90.253 -8.037 4.383 1.00 0.00 N ATOM 965 CA PHE A 65 89.874 -7.072 5.409 1.00 0.00 C ATOM 966 C PHE A 65 91.019 -6.104 5.680 1.00 0.00 C ATOM 967 O PHE A 65 90.799 -4.916 5.913 1.00 0.00 O ATOM 968 CB PHE A 65 89.502 -7.805 6.701 1.00 0.00 C ATOM 969 CG PHE A 65 89.754 -6.905 7.887 1.00 0.00 C ATOM 970 CD1 PHE A 65 88.904 -5.820 8.135 1.00 0.00 C ATOM 971 CD2 PHE A 65 90.836 -7.157 8.741 1.00 0.00 C ATOM 972 CE1 PHE A 65 89.136 -4.988 9.237 1.00 0.00 C ATOM 973 CE2 PHE A 65 91.067 -6.323 9.842 1.00 0.00 C ATOM 974 CZ PHE A 65 90.217 -5.239 10.091 1.00 0.00 C ATOM 0 H PHE A 65 90.187 -9.013 4.672 1.00 0.00 H new ATOM 0 HA PHE A 65 89.013 -6.506 5.053 1.00 0.00 H new ATOM 0 HB2 PHE A 65 88.453 -8.101 6.673 1.00 0.00 H new ATOM 0 HB3 PHE A 65 90.089 -8.719 6.794 1.00 0.00 H new ATOM 0 HD1 PHE A 65 88.070 -5.625 7.477 1.00 0.00 H new ATOM 0 HD2 PHE A 65 91.491 -7.994 8.550 1.00 0.00 H new ATOM 0 HE1 PHE A 65 88.480 -4.151 9.429 1.00 0.00 H new ATOM 0 HE2 PHE A 65 91.902 -6.516 10.500 1.00 0.00 H new ATOM 0 HZ PHE A 65 90.395 -4.597 10.941 1.00 0.00 H new ATOM 984 N THR A 66 92.243 -6.620 5.648 1.00 0.00 N ATOM 985 CA THR A 66 93.416 -5.790 5.891 1.00 0.00 C ATOM 986 C THR A 66 93.497 -4.659 4.873 1.00 0.00 C ATOM 987 O THR A 66 93.993 -3.575 5.177 1.00 0.00 O ATOM 988 CB THR A 66 94.685 -6.641 5.816 1.00 0.00 C ATOM 989 OG1 THR A 66 94.532 -7.789 6.638 1.00 0.00 O ATOM 990 CG2 THR A 66 95.883 -5.821 6.299 1.00 0.00 C ATOM 0 H THR A 66 92.447 -7.601 5.458 1.00 0.00 H new ATOM 0 HA THR A 66 93.328 -5.357 6.888 1.00 0.00 H new ATOM 0 HB THR A 66 94.854 -6.951 4.785 1.00 0.00 H new ATOM 0 HG1 THR A 66 95.343 -8.336 6.590 1.00 0.00 H new ATOM 0 HG21 THR A 66 96.786 -6.429 6.245 1.00 0.00 H new ATOM 0 HG22 THR A 66 96.000 -4.941 5.667 1.00 0.00 H new ATOM 0 HG23 THR A 66 95.718 -5.508 7.330 1.00 0.00 H new ATOM 998 N THR A 67 93.002 -4.913 3.666 1.00 0.00 N ATOM 999 CA THR A 67 93.022 -3.902 2.622 1.00 0.00 C ATOM 1000 C THR A 67 91.990 -2.823 2.919 1.00 0.00 C ATOM 1001 O THR A 67 92.238 -1.637 2.699 1.00 0.00 O ATOM 1002 CB THR A 67 92.712 -4.538 1.271 1.00 0.00 C ATOM 1003 OG1 THR A 67 92.550 -5.941 1.436 1.00 0.00 O ATOM 1004 CG2 THR A 67 93.857 -4.263 0.296 1.00 0.00 C ATOM 0 H THR A 67 92.586 -5.803 3.391 1.00 0.00 H new ATOM 0 HA THR A 67 94.015 -3.454 2.591 1.00 0.00 H new ATOM 0 HB THR A 67 91.792 -4.110 0.872 1.00 0.00 H new ATOM 0 HG1 THR A 67 91.598 -6.151 1.538 1.00 0.00 H new ATOM 0 HG21 THR A 67 93.632 -4.719 -0.668 1.00 0.00 H new ATOM 0 HG22 THR A 67 93.976 -3.187 0.169 1.00 0.00 H new ATOM 0 HG23 THR A 67 94.781 -4.687 0.691 1.00 0.00 H new ATOM 1012 N MET A 68 90.832 -3.239 3.424 1.00 0.00 N ATOM 1013 CA MET A 68 89.780 -2.288 3.744 1.00 0.00 C ATOM 1014 C MET A 68 90.357 -1.160 4.585 1.00 0.00 C ATOM 1015 O MET A 68 89.974 -0.003 4.435 1.00 0.00 O ATOM 1016 CB MET A 68 88.645 -2.983 4.502 1.00 0.00 C ATOM 1017 CG MET A 68 87.898 -3.921 3.550 1.00 0.00 C ATOM 1018 SD MET A 68 86.301 -3.192 3.113 1.00 0.00 S ATOM 1019 CE MET A 68 85.279 -4.222 4.194 1.00 0.00 C ATOM 0 H MET A 68 90.603 -4.214 3.617 1.00 0.00 H new ATOM 0 HA MET A 68 89.375 -1.879 2.818 1.00 0.00 H new ATOM 0 HB2 MET A 68 89.047 -3.546 5.344 1.00 0.00 H new ATOM 0 HB3 MET A 68 87.959 -2.242 4.912 1.00 0.00 H new ATOM 0 HG2 MET A 68 88.490 -4.091 2.651 1.00 0.00 H new ATOM 0 HG3 MET A 68 87.749 -4.892 4.022 1.00 0.00 H new ATOM 0 HE1 MET A 68 84.226 -4.052 3.970 1.00 0.00 H new ATOM 0 HE2 MET A 68 85.520 -5.272 4.030 1.00 0.00 H new ATOM 0 HE3 MET A 68 85.475 -3.963 5.235 1.00 0.00 H new ATOM 1029 N GLN A 69 91.305 -1.503 5.452 1.00 0.00 N ATOM 1030 CA GLN A 69 91.949 -0.500 6.287 1.00 0.00 C ATOM 1031 C GLN A 69 92.994 0.244 5.468 1.00 0.00 C ATOM 1032 O GLN A 69 93.376 1.368 5.797 1.00 0.00 O ATOM 1033 CB GLN A 69 92.612 -1.162 7.496 1.00 0.00 C ATOM 1034 CG GLN A 69 91.629 -2.139 8.145 1.00 0.00 C ATOM 1035 CD GLN A 69 90.294 -1.445 8.394 1.00 0.00 C ATOM 1036 OE1 GLN A 69 89.372 -1.474 7.471 1.00 0.00 O flip ATOM 1037 NE2 GLN A 69 90.086 -0.861 9.458 1.00 0.00 N flip ATOM 0 H GLN A 69 91.640 -2.456 5.593 1.00 0.00 H new ATOM 0 HA GLN A 69 91.197 0.203 6.644 1.00 0.00 H new ATOM 0 HB2 GLN A 69 93.514 -1.689 7.186 1.00 0.00 H new ATOM 0 HB3 GLN A 69 92.918 -0.404 8.217 1.00 0.00 H new ATOM 0 HG2 GLN A 69 91.484 -3.005 7.499 1.00 0.00 H new ATOM 0 HG3 GLN A 69 92.038 -2.508 9.086 1.00 0.00 H new ATOM 0 HE21 GLN A 69 90.808 -0.840 10.178 1.00 0.00 H new ATOM 0 HE22 GLN A 69 89.191 -0.398 9.619 1.00 0.00 H new ATOM 1046 N THR A 70 93.443 -0.390 4.389 1.00 0.00 N ATOM 1047 CA THR A 70 94.432 0.220 3.515 1.00 0.00 C ATOM 1048 C THR A 70 93.771 1.281 2.642 1.00 0.00 C ATOM 1049 O THR A 70 94.255 2.408 2.549 1.00 0.00 O ATOM 1050 CB THR A 70 95.086 -0.847 2.633 1.00 0.00 C ATOM 1051 OG1 THR A 70 95.505 -1.936 3.445 1.00 0.00 O ATOM 1052 CG2 THR A 70 96.297 -0.248 1.916 1.00 0.00 C ATOM 0 H THR A 70 93.138 -1.320 4.102 1.00 0.00 H new ATOM 0 HA THR A 70 95.201 0.691 4.128 1.00 0.00 H new ATOM 0 HB THR A 70 94.367 -1.199 1.893 1.00 0.00 H new ATOM 0 HG1 THR A 70 94.749 -2.255 3.980 1.00 0.00 H new ATOM 0 HG21 THR A 70 96.761 -1.009 1.289 1.00 0.00 H new ATOM 0 HG22 THR A 70 95.975 0.588 1.295 1.00 0.00 H new ATOM 0 HG23 THR A 70 97.019 0.104 2.653 1.00 0.00 H new ATOM 1060 N ALA A 71 92.654 0.919 2.010 1.00 0.00 N ATOM 1061 CA ALA A 71 91.940 1.869 1.163 1.00 0.00 C ATOM 1062 C ALA A 71 91.150 2.857 2.016 1.00 0.00 C ATOM 1063 O ALA A 71 91.010 4.019 1.655 1.00 0.00 O ATOM 1064 CB ALA A 71 90.990 1.143 0.207 1.00 0.00 C ATOM 0 H ALA A 71 92.232 -0.008 2.067 1.00 0.00 H new ATOM 0 HA ALA A 71 92.680 2.413 0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 71 90.470 1.873 -0.413 1.00 0.00 H new ATOM 0 HB2 ALA A 71 91.561 0.467 -0.430 1.00 0.00 H new ATOM 0 HB3 ALA A 71 90.262 0.571 0.782 1.00 0.00 H new ATOM 1070 N LEU A 72 90.639 2.403 3.155 1.00 0.00 N ATOM 1071 CA LEU A 72 89.874 3.294 4.020 1.00 0.00 C ATOM 1072 C LEU A 72 90.687 4.552 4.295 1.00 0.00 C ATOM 1073 O LEU A 72 90.143 5.654 4.357 1.00 0.00 O ATOM 1074 CB LEU A 72 89.535 2.592 5.341 1.00 0.00 C ATOM 1075 CG LEU A 72 88.936 3.594 6.333 1.00 0.00 C ATOM 1076 CD1 LEU A 72 87.723 4.279 5.701 1.00 0.00 C ATOM 1077 CD2 LEU A 72 88.495 2.851 7.597 1.00 0.00 C ATOM 0 H LEU A 72 90.737 1.446 3.496 1.00 0.00 H new ATOM 0 HA LEU A 72 88.943 3.564 3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 72 88.829 1.782 5.160 1.00 0.00 H new ATOM 0 HB3 LEU A 72 90.434 2.143 5.764 1.00 0.00 H new ATOM 0 HG LEU A 72 89.684 4.344 6.588 1.00 0.00 H new ATOM 0 HD11 LEU A 72 87.298 4.991 6.408 1.00 0.00 H new ATOM 0 HD12 LEU A 72 88.032 4.805 4.797 1.00 0.00 H new ATOM 0 HD13 LEU A 72 86.974 3.530 5.446 1.00 0.00 H new ATOM 0 HD21 LEU A 72 88.068 3.560 8.306 1.00 0.00 H new ATOM 0 HD22 LEU A 72 87.746 2.103 7.337 1.00 0.00 H new ATOM 0 HD23 LEU A 72 89.356 2.360 8.050 1.00 0.00 H new ATOM 1089 N ASN A 73 91.995 4.383 4.445 1.00 0.00 N ATOM 1090 CA ASN A 73 92.871 5.521 4.695 1.00 0.00 C ATOM 1091 C ASN A 73 93.067 6.338 3.417 1.00 0.00 C ATOM 1092 O ASN A 73 92.953 7.564 3.431 1.00 0.00 O ATOM 1093 CB ASN A 73 94.229 5.035 5.205 1.00 0.00 C ATOM 1094 CG ASN A 73 95.153 6.225 5.442 1.00 0.00 C ATOM 1095 OD1 ASN A 73 95.125 6.829 6.514 1.00 0.00 O ATOM 1096 ND2 ASN A 73 95.975 6.598 4.500 1.00 0.00 N ATOM 0 H ASN A 73 92.468 3.481 4.399 1.00 0.00 H new ATOM 0 HA ASN A 73 92.406 6.154 5.451 1.00 0.00 H new ATOM 0 HB2 ASN A 73 94.100 4.474 6.131 1.00 0.00 H new ATOM 0 HB3 ASN A 73 94.677 4.355 4.480 1.00 0.00 H new ATOM 0 HD21 ASN A 73 96.597 7.392 4.651 1.00 0.00 H new ATOM 0 HD22 ASN A 73 95.996 6.095 3.613 1.00 0.00 H new ATOM 1103 N SER A 74 93.359 5.650 2.315 1.00 0.00 N ATOM 1104 CA SER A 74 93.567 6.321 1.034 1.00 0.00 C ATOM 1105 C SER A 74 92.251 6.855 0.477 1.00 0.00 C ATOM 1106 O SER A 74 92.132 8.040 0.163 1.00 0.00 O ATOM 1107 CB SER A 74 94.195 5.349 0.033 1.00 0.00 C ATOM 1108 OG SER A 74 93.269 5.089 -1.015 1.00 0.00 O ATOM 0 H SER A 74 93.456 4.635 2.283 1.00 0.00 H new ATOM 0 HA SER A 74 94.240 7.163 1.195 1.00 0.00 H new ATOM 0 HB2 SER A 74 95.113 5.772 -0.374 1.00 0.00 H new ATOM 0 HB3 SER A 74 94.466 4.419 0.533 1.00 0.00 H new ATOM 0 HG SER A 74 93.669 4.468 -1.659 1.00 0.00 H new ATOM 1114 N LEU A 75 91.264 5.973 0.362 1.00 0.00 N ATOM 1115 CA LEU A 75 89.963 6.351 -0.147 1.00 0.00 C ATOM 1116 C LEU A 75 89.512 7.652 0.487 1.00 0.00 C ATOM 1117 O LEU A 75 89.446 8.696 -0.160 1.00 0.00 O ATOM 1118 CB LEU A 75 88.954 5.252 0.199 1.00 0.00 C ATOM 1119 CG LEU A 75 87.765 5.354 -0.731 1.00 0.00 C ATOM 1120 CD1 LEU A 75 86.847 4.147 -0.533 1.00 0.00 C ATOM 1121 CD2 LEU A 75 86.989 6.643 -0.448 1.00 0.00 C ATOM 0 H LEU A 75 91.347 4.989 0.617 1.00 0.00 H new ATOM 0 HA LEU A 75 90.025 6.482 -1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 75 89.421 4.271 0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 75 88.630 5.353 1.235 1.00 0.00 H new ATOM 0 HG LEU A 75 88.121 5.370 -1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 75 85.993 4.226 -1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 75 87.397 3.232 -0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 75 86.496 4.122 0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 75 86.135 6.709 -1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 75 86.638 6.637 0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 75 87.641 7.502 -0.604 1.00 0.00 H new ATOM 1133 N ALA A 76 89.204 7.562 1.765 1.00 0.00 N ATOM 1134 CA ALA A 76 88.753 8.723 2.523 1.00 0.00 C ATOM 1135 C ALA A 76 89.647 9.923 2.236 1.00 0.00 C ATOM 1136 O ALA A 76 89.287 11.063 2.527 1.00 0.00 O ATOM 1137 CB ALA A 76 88.778 8.411 4.021 1.00 0.00 C ATOM 0 H ALA A 76 89.256 6.698 2.305 1.00 0.00 H new ATOM 0 HA ALA A 76 87.733 8.961 2.220 1.00 0.00 H new ATOM 0 HB1 ALA A 76 88.440 9.283 4.580 1.00 0.00 H new ATOM 0 HB2 ALA A 76 88.118 7.569 4.228 1.00 0.00 H new ATOM 0 HB3 ALA A 76 89.794 8.158 4.323 1.00 0.00 H new ATOM 1143 N GLY A 77 90.816 9.657 1.660 1.00 0.00 N ATOM 1144 CA GLY A 77 91.756 10.723 1.333 1.00 0.00 C ATOM 1145 C GLY A 77 91.227 11.574 0.183 1.00 0.00 C ATOM 1146 O GLY A 77 91.197 12.801 0.270 1.00 0.00 O ATOM 0 H GLY A 77 91.133 8.720 1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 77 91.922 11.350 2.209 1.00 0.00 H new ATOM 0 HA3 GLY A 77 92.720 10.294 1.061 1.00 0.00 H new ATOM 1150 N TYR A 78 90.806 10.914 -0.892 1.00 0.00 N ATOM 1151 CA TYR A 78 90.275 11.622 -2.051 1.00 0.00 C ATOM 1152 C TYR A 78 88.986 12.348 -1.683 1.00 0.00 C ATOM 1153 O TYR A 78 88.562 13.274 -2.375 1.00 0.00 O ATOM 1154 CB TYR A 78 89.999 10.637 -3.190 1.00 0.00 C ATOM 1155 CG TYR A 78 88.891 11.177 -4.065 1.00 0.00 C ATOM 1156 CD1 TYR A 78 87.554 10.922 -3.738 1.00 0.00 C ATOM 1157 CD2 TYR A 78 89.202 11.931 -5.205 1.00 0.00 C ATOM 1158 CE1 TYR A 78 86.528 11.421 -4.550 1.00 0.00 C ATOM 1159 CE2 TYR A 78 88.175 12.429 -6.016 1.00 0.00 C ATOM 1160 CZ TYR A 78 86.838 12.175 -5.688 1.00 0.00 C ATOM 1161 OH TYR A 78 85.825 12.665 -6.488 1.00 0.00 O ATOM 0 H TYR A 78 90.822 9.898 -0.984 1.00 0.00 H new ATOM 0 HA TYR A 78 91.015 12.352 -2.378 1.00 0.00 H new ATOM 0 HB2 TYR A 78 90.902 10.485 -3.781 1.00 0.00 H new ATOM 0 HB3 TYR A 78 89.716 9.666 -2.785 1.00 0.00 H new ATOM 0 HD1 TYR A 78 87.314 10.341 -2.860 1.00 0.00 H new ATOM 0 HD2 TYR A 78 90.233 12.128 -5.458 1.00 0.00 H new ATOM 0 HE1 TYR A 78 85.496 11.224 -4.298 1.00 0.00 H new ATOM 0 HE2 TYR A 78 88.414 13.009 -6.895 1.00 0.00 H new ATOM 0 HH TYR A 78 86.212 13.167 -7.235 1.00 0.00 H new ATOM 1171 N TYR A 79 88.366 11.918 -0.589 1.00 0.00 N ATOM 1172 CA TYR A 79 87.122 12.529 -0.134 1.00 0.00 C ATOM 1173 C TYR A 79 87.406 13.655 0.855 1.00 0.00 C ATOM 1174 O TYR A 79 86.703 14.666 0.877 1.00 0.00 O ATOM 1175 CB TYR A 79 86.236 11.473 0.530 1.00 0.00 C ATOM 1176 CG TYR A 79 85.418 12.113 1.624 1.00 0.00 C ATOM 1177 CD1 TYR A 79 84.511 13.133 1.316 1.00 0.00 C ATOM 1178 CD2 TYR A 79 85.566 11.683 2.949 1.00 0.00 C ATOM 1179 CE1 TYR A 79 83.751 13.725 2.333 1.00 0.00 C ATOM 1180 CE2 TYR A 79 84.806 12.274 3.965 1.00 0.00 C ATOM 1181 CZ TYR A 79 83.898 13.295 3.657 1.00 0.00 C ATOM 1182 OH TYR A 79 83.149 13.877 4.659 1.00 0.00 O ATOM 0 H TYR A 79 88.702 11.153 -0.004 1.00 0.00 H new ATOM 0 HA TYR A 79 86.606 12.945 -0.999 1.00 0.00 H new ATOM 0 HB2 TYR A 79 85.578 11.018 -0.211 1.00 0.00 H new ATOM 0 HB3 TYR A 79 86.852 10.674 0.943 1.00 0.00 H new ATOM 0 HD1 TYR A 79 84.397 13.464 0.294 1.00 0.00 H new ATOM 0 HD2 TYR A 79 86.266 10.896 3.186 1.00 0.00 H new ATOM 0 HE1 TYR A 79 83.052 14.513 2.096 1.00 0.00 H new ATOM 0 HE2 TYR A 79 84.920 11.943 4.987 1.00 0.00 H new ATOM 0 HH TYR A 79 83.372 13.461 5.518 1.00 0.00 H new ATOM 1192 N THR A 80 88.439 13.476 1.672 1.00 0.00 N ATOM 1193 CA THR A 80 88.803 14.486 2.658 1.00 0.00 C ATOM 1194 C THR A 80 89.306 15.752 1.970 1.00 0.00 C ATOM 1195 O THR A 80 88.650 16.792 2.004 1.00 0.00 O ATOM 1196 CB THR A 80 89.889 13.942 3.589 1.00 0.00 C ATOM 1197 OG1 THR A 80 89.366 12.857 4.342 1.00 0.00 O ATOM 1198 CG2 THR A 80 90.352 15.048 4.539 1.00 0.00 C ATOM 0 H THR A 80 89.034 12.648 1.671 1.00 0.00 H new ATOM 0 HA THR A 80 87.916 14.732 3.241 1.00 0.00 H new ATOM 0 HB THR A 80 90.736 13.598 2.996 1.00 0.00 H new ATOM 0 HG1 THR A 80 89.510 12.020 3.853 1.00 0.00 H new ATOM 0 HG21 THR A 80 91.125 14.659 5.201 1.00 0.00 H new ATOM 0 HG22 THR A 80 90.754 15.880 3.961 1.00 0.00 H new ATOM 0 HG23 THR A 80 89.507 15.395 5.133 1.00 0.00 H new ATOM 1206 N SER A 81 90.476 15.653 1.346 1.00 0.00 N ATOM 1207 CA SER A 81 91.060 16.796 0.653 1.00 0.00 C ATOM 1208 C SER A 81 90.011 17.501 -0.203 1.00 0.00 C ATOM 1209 O SER A 81 90.220 18.628 -0.651 1.00 0.00 O ATOM 1210 CB SER A 81 92.216 16.332 -0.234 1.00 0.00 C ATOM 1211 OG SER A 81 93.321 17.209 -0.062 1.00 0.00 O ATOM 0 H SER A 81 91.034 14.800 1.306 1.00 0.00 H new ATOM 0 HA SER A 81 91.432 17.497 1.400 1.00 0.00 H new ATOM 0 HB2 SER A 81 92.502 15.313 0.025 1.00 0.00 H new ATOM 0 HB3 SER A 81 91.906 16.320 -1.279 1.00 0.00 H new ATOM 0 HG SER A 81 94.064 16.913 -0.628 1.00 0.00 H new ATOM 1217 N TYR A 82 88.886 16.831 -0.424 1.00 0.00 N ATOM 1218 CA TYR A 82 87.813 17.405 -1.228 1.00 0.00 C ATOM 1219 C TYR A 82 88.382 18.177 -2.414 1.00 0.00 C ATOM 1220 O TYR A 82 88.250 19.398 -2.492 1.00 0.00 O ATOM 1221 CB TYR A 82 86.963 18.342 -0.368 1.00 0.00 C ATOM 1222 CG TYR A 82 85.851 18.925 -1.206 1.00 0.00 C ATOM 1223 CD1 TYR A 82 84.852 18.091 -1.723 1.00 0.00 C ATOM 1224 CD2 TYR A 82 85.818 20.301 -1.465 1.00 0.00 C ATOM 1225 CE1 TYR A 82 83.821 18.633 -2.500 1.00 0.00 C ATOM 1226 CE2 TYR A 82 84.786 20.842 -2.242 1.00 0.00 C ATOM 1227 CZ TYR A 82 83.788 20.007 -2.759 1.00 0.00 C ATOM 1228 OH TYR A 82 82.771 20.541 -3.525 1.00 0.00 O ATOM 0 H TYR A 82 88.693 15.897 -0.061 1.00 0.00 H new ATOM 0 HA TYR A 82 87.193 16.592 -1.605 1.00 0.00 H new ATOM 0 HB2 TYR A 82 86.547 17.797 0.479 1.00 0.00 H new ATOM 0 HB3 TYR A 82 87.583 19.141 0.040 1.00 0.00 H new ATOM 0 HD1 TYR A 82 84.877 17.030 -1.522 1.00 0.00 H new ATOM 0 HD2 TYR A 82 86.588 20.945 -1.066 1.00 0.00 H new ATOM 0 HE1 TYR A 82 83.051 17.990 -2.900 1.00 0.00 H new ATOM 0 HE2 TYR A 82 84.760 21.903 -2.442 1.00 0.00 H new ATOM 0 HH TYR A 82 82.897 21.509 -3.607 1.00 0.00 H new ATOM 1238 N GLY A 83 89.013 17.457 -3.335 1.00 0.00 N ATOM 1239 CA GLY A 83 89.598 18.086 -4.514 1.00 0.00 C ATOM 1240 C GLY A 83 88.976 17.534 -5.791 1.00 0.00 C ATOM 1241 O GLY A 83 89.046 16.335 -6.060 1.00 0.00 O ATOM 0 H GLY A 83 89.132 16.445 -3.289 1.00 0.00 H new ATOM 0 HA2 GLY A 83 89.447 19.165 -4.468 1.00 0.00 H new ATOM 0 HA3 GLY A 83 90.674 17.915 -4.526 1.00 0.00 H new ATOM 1245 N ALA A 84 88.367 18.416 -6.577 1.00 0.00 N ATOM 1246 CA ALA A 84 87.737 18.004 -7.826 1.00 0.00 C ATOM 1247 C ALA A 84 88.774 17.895 -8.938 1.00 0.00 C ATOM 1248 O ALA A 84 88.662 18.555 -9.972 1.00 0.00 O ATOM 1249 CB ALA A 84 86.661 19.015 -8.228 1.00 0.00 C ATOM 0 H ALA A 84 88.296 19.413 -6.373 1.00 0.00 H new ATOM 0 HA ALA A 84 87.278 17.027 -7.674 1.00 0.00 H new ATOM 0 HB1 ALA A 84 86.196 18.699 -9.162 1.00 0.00 H new ATOM 0 HB2 ALA A 84 85.904 19.071 -7.446 1.00 0.00 H new ATOM 0 HB3 ALA A 84 87.116 19.996 -8.363 1.00 0.00 H new ATOM 1255 N ARG A 85 89.782 17.057 -8.721 1.00 0.00 N ATOM 1256 CA ARG A 85 90.833 16.870 -9.714 1.00 0.00 C ATOM 1257 C ARG A 85 91.121 15.386 -9.917 1.00 0.00 C ATOM 1258 O ARG A 85 90.712 14.550 -9.111 1.00 0.00 O ATOM 1259 CB ARG A 85 92.110 17.583 -9.265 1.00 0.00 C ATOM 1260 CG ARG A 85 91.899 18.184 -7.873 1.00 0.00 C ATOM 1261 CD ARG A 85 93.207 18.811 -7.387 1.00 0.00 C ATOM 1262 NE ARG A 85 92.932 19.885 -6.439 1.00 0.00 N ATOM 1263 CZ ARG A 85 92.822 19.642 -5.137 1.00 0.00 C ATOM 1264 NH1 ARG A 85 92.953 18.426 -4.686 1.00 0.00 N ATOM 1265 NH2 ARG A 85 92.582 20.622 -4.309 1.00 0.00 N ATOM 0 H ARG A 85 89.893 16.501 -7.873 1.00 0.00 H new ATOM 0 HA ARG A 85 90.493 17.295 -10.659 1.00 0.00 H new ATOM 0 HB2 ARG A 85 92.944 16.881 -9.247 1.00 0.00 H new ATOM 0 HB3 ARG A 85 92.370 18.368 -9.976 1.00 0.00 H new ATOM 0 HG2 ARG A 85 91.112 18.937 -7.905 1.00 0.00 H new ATOM 0 HG3 ARG A 85 91.572 17.411 -7.177 1.00 0.00 H new ATOM 0 HD2 ARG A 85 93.829 18.051 -6.915 1.00 0.00 H new ATOM 0 HD3 ARG A 85 93.769 19.201 -8.236 1.00 0.00 H new ATOM 0 HE ARG A 85 92.822 20.839 -6.781 1.00 0.00 H new ATOM 0 HH11 ARG A 85 93.140 17.660 -5.333 1.00 0.00 H new ATOM 0 HH12 ARG A 85 92.868 18.241 -3.687 1.00 0.00 H new ATOM 0 HH21 ARG A 85 92.479 21.574 -4.661 1.00 0.00 H new ATOM 0 HH22 ARG A 85 92.497 20.436 -3.310 1.00 0.00 H new ATOM 1279 N PRO A 86 91.815 15.047 -10.972 1.00 0.00 N ATOM 1280 CA PRO A 86 92.165 13.634 -11.283 1.00 0.00 C ATOM 1281 C PRO A 86 92.600 12.866 -10.039 1.00 0.00 C ATOM 1282 O PRO A 86 93.245 13.422 -9.152 1.00 0.00 O ATOM 1283 CB PRO A 86 93.317 13.764 -12.278 1.00 0.00 C ATOM 1284 CG PRO A 86 93.118 15.081 -12.954 1.00 0.00 C ATOM 1285 CD PRO A 86 92.343 15.978 -11.982 1.00 0.00 C ATOM 0 HA PRO A 86 91.317 13.074 -11.677 1.00 0.00 H new ATOM 0 HB2 PRO A 86 94.280 13.726 -11.769 1.00 0.00 H new ATOM 0 HB3 PRO A 86 93.305 12.947 -13.000 1.00 0.00 H new ATOM 0 HG2 PRO A 86 94.077 15.530 -13.210 1.00 0.00 H new ATOM 0 HG3 PRO A 86 92.566 14.956 -13.885 1.00 0.00 H new ATOM 0 HD2 PRO A 86 92.991 16.729 -11.531 1.00 0.00 H new ATOM 0 HD3 PRO A 86 91.540 16.513 -12.489 1.00 0.00 H new ATOM 1293 N ILE A 87 92.242 11.587 -9.983 1.00 0.00 N ATOM 1294 CA ILE A 87 92.600 10.750 -8.842 1.00 0.00 C ATOM 1295 C ILE A 87 94.051 10.265 -8.968 1.00 0.00 C ATOM 1296 O ILE A 87 94.365 9.494 -9.874 1.00 0.00 O ATOM 1297 CB ILE A 87 91.668 9.538 -8.778 1.00 0.00 C ATOM 1298 CG1 ILE A 87 90.273 9.943 -9.260 1.00 0.00 C ATOM 1299 CG2 ILE A 87 91.579 9.036 -7.335 1.00 0.00 C ATOM 1300 CD1 ILE A 87 89.265 8.859 -8.872 1.00 0.00 C ATOM 0 H ILE A 87 91.708 11.109 -10.709 1.00 0.00 H new ATOM 0 HA ILE A 87 92.499 11.342 -7.932 1.00 0.00 H new ATOM 0 HB ILE A 87 92.060 8.746 -9.415 1.00 0.00 H new ATOM 0 HG12 ILE A 87 89.986 10.897 -8.817 1.00 0.00 H new ATOM 0 HG13 ILE A 87 90.276 10.082 -10.341 1.00 0.00 H new ATOM 0 HG21 ILE A 87 90.915 8.173 -7.290 1.00 0.00 H new ATOM 0 HG22 ILE A 87 92.571 8.749 -6.988 1.00 0.00 H new ATOM 0 HG23 ILE A 87 91.187 9.829 -6.698 1.00 0.00 H new ATOM 0 HD11 ILE A 87 88.271 9.147 -9.215 1.00 0.00 H new ATOM 0 HD12 ILE A 87 89.550 7.915 -9.336 1.00 0.00 H new ATOM 0 HD13 ILE A 87 89.255 8.742 -7.788 1.00 0.00 H new ATOM 1312 N PRO A 88 94.942 10.690 -8.095 1.00 0.00 N ATOM 1313 CA PRO A 88 96.371 10.265 -8.153 1.00 0.00 C ATOM 1314 C PRO A 88 96.516 8.758 -8.355 1.00 0.00 C ATOM 1315 O PRO A 88 95.838 7.966 -7.702 1.00 0.00 O ATOM 1316 CB PRO A 88 96.934 10.688 -6.795 1.00 0.00 C ATOM 1317 CG PRO A 88 96.075 11.821 -6.344 1.00 0.00 C ATOM 1318 CD PRO A 88 94.696 11.610 -6.969 1.00 0.00 C ATOM 0 HA PRO A 88 96.896 10.716 -8.995 1.00 0.00 H new ATOM 0 HB2 PRO A 88 96.902 9.864 -6.083 1.00 0.00 H new ATOM 0 HB3 PRO A 88 97.976 10.995 -6.881 1.00 0.00 H new ATOM 0 HG2 PRO A 88 96.006 11.844 -5.256 1.00 0.00 H new ATOM 0 HG3 PRO A 88 96.499 12.775 -6.657 1.00 0.00 H new ATOM 0 HD2 PRO A 88 93.996 11.182 -6.252 1.00 0.00 H new ATOM 0 HD3 PRO A 88 94.266 12.551 -7.311 1.00 0.00 H new ATOM 1326 N GLU A 89 97.408 8.373 -9.261 1.00 0.00 N ATOM 1327 CA GLU A 89 97.640 6.964 -9.541 1.00 0.00 C ATOM 1328 C GLU A 89 97.711 6.168 -8.245 1.00 0.00 C ATOM 1329 O GLU A 89 97.446 4.972 -8.226 1.00 0.00 O ATOM 1330 CB GLU A 89 98.947 6.792 -10.318 1.00 0.00 C ATOM 1331 CG GLU A 89 98.637 6.328 -11.742 1.00 0.00 C ATOM 1332 CD GLU A 89 99.935 6.073 -12.502 1.00 0.00 C ATOM 1333 OE1 GLU A 89 100.926 5.768 -11.860 1.00 0.00 O ATOM 1334 OE2 GLU A 89 99.918 6.186 -13.717 1.00 0.00 O ATOM 0 H GLU A 89 97.979 9.015 -9.811 1.00 0.00 H new ATOM 0 HA GLU A 89 96.810 6.591 -10.141 1.00 0.00 H new ATOM 0 HB2 GLU A 89 99.495 7.734 -10.342 1.00 0.00 H new ATOM 0 HB3 GLU A 89 99.586 6.064 -9.818 1.00 0.00 H new ATOM 0 HG2 GLU A 89 98.037 5.418 -11.714 1.00 0.00 H new ATOM 0 HG3 GLU A 89 98.046 7.084 -12.259 1.00 0.00 H new ATOM 1341 N LYS A 90 98.068 6.843 -7.160 1.00 0.00 N ATOM 1342 CA LYS A 90 98.166 6.184 -5.867 1.00 0.00 C ATOM 1343 C LYS A 90 96.797 5.685 -5.431 1.00 0.00 C ATOM 1344 O LYS A 90 96.592 4.487 -5.263 1.00 0.00 O ATOM 1345 CB LYS A 90 98.716 7.158 -4.823 1.00 0.00 C ATOM 1346 CG LYS A 90 100.242 7.048 -4.773 1.00 0.00 C ATOM 1347 CD LYS A 90 100.832 7.462 -6.124 1.00 0.00 C ATOM 1348 CE LYS A 90 102.348 7.264 -6.101 1.00 0.00 C ATOM 1349 NZ LYS A 90 103.023 8.579 -6.297 1.00 0.00 N ATOM 0 H LYS A 90 98.293 7.838 -7.150 1.00 0.00 H new ATOM 0 HA LYS A 90 98.844 5.335 -5.956 1.00 0.00 H new ATOM 0 HB2 LYS A 90 98.423 8.178 -5.072 1.00 0.00 H new ATOM 0 HB3 LYS A 90 98.293 6.935 -3.844 1.00 0.00 H new ATOM 0 HG2 LYS A 90 100.637 7.685 -3.982 1.00 0.00 H new ATOM 0 HG3 LYS A 90 100.535 6.026 -4.535 1.00 0.00 H new ATOM 0 HD2 LYS A 90 100.389 6.868 -6.924 1.00 0.00 H new ATOM 0 HD3 LYS A 90 100.594 8.505 -6.332 1.00 0.00 H new ATOM 0 HE2 LYS A 90 102.654 6.824 -5.152 1.00 0.00 H new ATOM 0 HE3 LYS A 90 102.647 6.569 -6.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 104.054 8.446 -6.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 102.740 8.982 -7.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 102.746 9.228 -5.533 1.00 0.00 H new ATOM 1363 N LEU A 91 95.858 6.610 -5.276 1.00 0.00 N ATOM 1364 CA LEU A 91 94.509 6.254 -4.884 1.00 0.00 C ATOM 1365 C LEU A 91 93.854 5.492 -6.016 1.00 0.00 C ATOM 1366 O LEU A 91 93.186 4.488 -5.810 1.00 0.00 O ATOM 1367 CB LEU A 91 93.707 7.517 -4.574 1.00 0.00 C ATOM 1368 CG LEU A 91 93.703 7.753 -3.066 1.00 0.00 C ATOM 1369 CD1 LEU A 91 95.135 7.976 -2.576 1.00 0.00 C ATOM 1370 CD2 LEU A 91 92.857 8.986 -2.744 1.00 0.00 C ATOM 0 H LEU A 91 96.010 7.609 -5.416 1.00 0.00 H new ATOM 0 HA LEU A 91 94.538 5.631 -3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 91 94.143 8.374 -5.087 1.00 0.00 H new ATOM 0 HB3 LEU A 91 92.686 7.412 -4.940 1.00 0.00 H new ATOM 0 HG LEU A 91 93.281 6.881 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 91 95.129 8.144 -1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 91 95.738 7.097 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 91 95.560 8.846 -3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 91 92.854 9.154 -1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 91 93.278 9.857 -3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 91 91.835 8.826 -3.089 1.00 0.00 H new ATOM 1382 N LYS A 92 94.074 5.976 -7.221 1.00 0.00 N ATOM 1383 CA LYS A 92 93.521 5.331 -8.388 1.00 0.00 C ATOM 1384 C LYS A 92 94.021 3.896 -8.459 1.00 0.00 C ATOM 1385 O LYS A 92 93.230 2.963 -8.465 1.00 0.00 O ATOM 1386 CB LYS A 92 93.930 6.084 -9.655 1.00 0.00 C ATOM 1387 CG LYS A 92 92.763 6.095 -10.645 1.00 0.00 C ATOM 1388 CD LYS A 92 93.187 6.818 -11.926 1.00 0.00 C ATOM 1389 CE LYS A 92 91.980 6.964 -12.855 1.00 0.00 C ATOM 1390 NZ LYS A 92 92.298 7.945 -13.932 1.00 0.00 N ATOM 0 H LYS A 92 94.629 6.809 -7.415 1.00 0.00 H new ATOM 0 HA LYS A 92 92.434 5.336 -8.314 1.00 0.00 H new ATOM 0 HB2 LYS A 92 94.219 7.105 -9.406 1.00 0.00 H new ATOM 0 HB3 LYS A 92 94.800 5.608 -10.108 1.00 0.00 H new ATOM 0 HG2 LYS A 92 92.458 5.074 -10.875 1.00 0.00 H new ATOM 0 HG3 LYS A 92 91.901 6.593 -10.202 1.00 0.00 H new ATOM 0 HD2 LYS A 92 93.594 7.800 -11.684 1.00 0.00 H new ATOM 0 HD3 LYS A 92 93.978 6.260 -12.426 1.00 0.00 H new ATOM 0 HE2 LYS A 92 91.725 5.998 -13.292 1.00 0.00 H new ATOM 0 HE3 LYS A 92 91.110 7.298 -12.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 91.478 8.045 -14.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 92.522 8.867 -13.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 93.117 7.608 -14.478 1.00 0.00 H new ATOM 1404 N LYS A 93 95.342 3.727 -8.494 1.00 0.00 N ATOM 1405 CA LYS A 93 95.928 2.392 -8.557 1.00 0.00 C ATOM 1406 C LYS A 93 95.665 1.621 -7.276 1.00 0.00 C ATOM 1407 O LYS A 93 95.399 0.426 -7.309 1.00 0.00 O ATOM 1408 CB LYS A 93 97.436 2.469 -8.809 1.00 0.00 C ATOM 1409 CG LYS A 93 97.956 1.089 -9.218 1.00 0.00 C ATOM 1410 CD LYS A 93 98.403 1.124 -10.681 1.00 0.00 C ATOM 1411 CE LYS A 93 98.977 -0.239 -11.071 1.00 0.00 C ATOM 1412 NZ LYS A 93 99.893 -0.077 -12.236 1.00 0.00 N ATOM 0 H LYS A 93 96.019 4.490 -8.480 1.00 0.00 H new ATOM 0 HA LYS A 93 95.456 1.866 -9.387 1.00 0.00 H new ATOM 0 HB2 LYS A 93 97.648 3.196 -9.593 1.00 0.00 H new ATOM 0 HB3 LYS A 93 97.949 2.811 -7.910 1.00 0.00 H new ATOM 0 HG2 LYS A 93 98.790 0.799 -8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 93 97.176 0.340 -9.083 1.00 0.00 H new ATOM 0 HD2 LYS A 93 97.559 1.373 -11.324 1.00 0.00 H new ATOM 0 HD3 LYS A 93 99.153 1.901 -10.825 1.00 0.00 H new ATOM 0 HE2 LYS A 93 99.516 -0.673 -10.229 1.00 0.00 H new ATOM 0 HE3 LYS A 93 98.170 -0.927 -11.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 100.284 -1.003 -12.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 99.366 0.320 -13.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 100.670 0.566 -11.980 1.00 0.00 H new ATOM 1426 N ARG A 94 95.730 2.308 -6.153 1.00 0.00 N ATOM 1427 CA ARG A 94 95.482 1.655 -4.870 1.00 0.00 C ATOM 1428 C ARG A 94 94.026 1.225 -4.792 1.00 0.00 C ATOM 1429 O ARG A 94 93.730 0.051 -4.591 1.00 0.00 O ATOM 1430 CB ARG A 94 95.805 2.589 -3.702 1.00 0.00 C ATOM 1431 CG ARG A 94 95.496 1.880 -2.383 1.00 0.00 C ATOM 1432 CD ARG A 94 96.602 2.182 -1.371 1.00 0.00 C ATOM 1433 NE ARG A 94 96.960 3.595 -1.420 1.00 0.00 N ATOM 1434 CZ ARG A 94 97.554 4.191 -0.389 1.00 0.00 C ATOM 1435 NH1 ARG A 94 97.823 3.510 0.690 1.00 0.00 N ATOM 1436 NH2 ARG A 94 97.864 5.456 -0.457 1.00 0.00 N ATOM 0 H ARG A 94 95.948 3.303 -6.095 1.00 0.00 H new ATOM 0 HA ARG A 94 96.132 0.783 -4.798 1.00 0.00 H new ATOM 0 HB2 ARG A 94 96.855 2.879 -3.734 1.00 0.00 H new ATOM 0 HB3 ARG A 94 95.219 3.504 -3.781 1.00 0.00 H new ATOM 0 HG2 ARG A 94 94.533 2.213 -1.996 1.00 0.00 H new ATOM 0 HG3 ARG A 94 95.420 0.805 -2.545 1.00 0.00 H new ATOM 0 HD2 ARG A 94 96.268 1.919 -0.367 1.00 0.00 H new ATOM 0 HD3 ARG A 94 97.478 1.570 -1.586 1.00 0.00 H new ATOM 0 HE ARG A 94 96.751 4.136 -2.259 1.00 0.00 H new ATOM 0 HH11 ARG A 94 97.578 2.521 0.743 1.00 0.00 H new ATOM 0 HH12 ARG A 94 98.278 3.966 1.481 1.00 0.00 H new ATOM 0 HH21 ARG A 94 97.651 5.989 -1.300 1.00 0.00 H new ATOM 0 HH22 ARG A 94 98.319 5.913 0.333 1.00 0.00 H new ATOM 1450 N LEU A 95 93.120 2.180 -4.970 1.00 0.00 N ATOM 1451 CA LEU A 95 91.695 1.878 -4.931 1.00 0.00 C ATOM 1452 C LEU A 95 91.324 0.972 -6.091 1.00 0.00 C ATOM 1453 O LEU A 95 90.482 0.096 -5.948 1.00 0.00 O ATOM 1454 CB LEU A 95 90.873 3.164 -4.989 1.00 0.00 C ATOM 1455 CG LEU A 95 91.284 4.061 -3.823 1.00 0.00 C ATOM 1456 CD1 LEU A 95 90.742 5.476 -4.035 1.00 0.00 C ATOM 1457 CD2 LEU A 95 90.727 3.503 -2.512 1.00 0.00 C ATOM 0 H LEU A 95 93.344 3.160 -5.141 1.00 0.00 H new ATOM 0 HA LEU A 95 91.474 1.367 -3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 95 91.039 3.676 -5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 95 89.809 2.935 -4.933 1.00 0.00 H new ATOM 0 HG LEU A 95 92.372 4.091 -3.773 1.00 0.00 H new ATOM 0 HD11 LEU A 95 91.040 6.109 -3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 95 91.145 5.885 -4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 95 89.654 5.444 -4.096 1.00 0.00 H new ATOM 0 HD21 LEU A 95 91.025 4.149 -1.686 1.00 0.00 H new ATOM 0 HD22 LEU A 95 89.639 3.463 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 95 91.120 2.499 -2.348 1.00 0.00 H new ATOM 1469 N GLN A 96 91.972 1.174 -7.236 1.00 0.00 N ATOM 1470 CA GLN A 96 91.698 0.332 -8.405 1.00 0.00 C ATOM 1471 C GLN A 96 92.286 -1.049 -8.182 1.00 0.00 C ATOM 1472 O GLN A 96 91.601 -2.061 -8.322 1.00 0.00 O ATOM 1473 CB GLN A 96 92.283 0.931 -9.687 1.00 0.00 C ATOM 1474 CG GLN A 96 91.971 0.005 -10.864 1.00 0.00 C ATOM 1475 CD GLN A 96 91.791 0.823 -12.137 1.00 0.00 C ATOM 1476 OE1 GLN A 96 90.779 0.688 -12.825 1.00 0.00 O ATOM 1477 NE2 GLN A 96 92.715 1.672 -12.494 1.00 0.00 N ATOM 0 H GLN A 96 92.677 1.897 -7.382 1.00 0.00 H new ATOM 0 HA GLN A 96 90.617 0.269 -8.526 1.00 0.00 H new ATOM 0 HB2 GLN A 96 91.861 1.920 -9.866 1.00 0.00 H new ATOM 0 HB3 GLN A 96 93.361 1.058 -9.584 1.00 0.00 H new ATOM 0 HG2 GLN A 96 92.779 -0.715 -10.995 1.00 0.00 H new ATOM 0 HG3 GLN A 96 91.066 -0.566 -10.658 1.00 0.00 H new ATOM 0 HE21 GLN A 96 93.553 1.783 -11.924 1.00 0.00 H new ATOM 0 HE22 GLN A 96 92.599 2.224 -13.344 1.00 0.00 H new ATOM 1486 N LEU A 97 93.556 -1.078 -7.809 1.00 0.00 N ATOM 1487 CA LEU A 97 94.227 -2.340 -7.536 1.00 0.00 C ATOM 1488 C LEU A 97 93.563 -2.989 -6.338 1.00 0.00 C ATOM 1489 O LEU A 97 93.385 -4.202 -6.295 1.00 0.00 O ATOM 1490 CB LEU A 97 95.714 -2.124 -7.240 1.00 0.00 C ATOM 1491 CG LEU A 97 96.403 -3.484 -7.098 1.00 0.00 C ATOM 1492 CD1 LEU A 97 96.402 -4.209 -8.446 1.00 0.00 C ATOM 1493 CD2 LEU A 97 97.846 -3.277 -6.632 1.00 0.00 C ATOM 0 H LEU A 97 94.139 -0.250 -7.689 1.00 0.00 H new ATOM 0 HA LEU A 97 94.148 -2.980 -8.415 1.00 0.00 H new ATOM 0 HB2 LEU A 97 96.177 -1.551 -8.043 1.00 0.00 H new ATOM 0 HB3 LEU A 97 95.834 -1.545 -6.324 1.00 0.00 H new ATOM 0 HG LEU A 97 95.864 -4.086 -6.366 1.00 0.00 H new ATOM 0 HD11 LEU A 97 96.893 -5.176 -8.339 1.00 0.00 H new ATOM 0 HD12 LEU A 97 95.375 -4.359 -8.778 1.00 0.00 H new ATOM 0 HD13 LEU A 97 96.937 -3.609 -9.182 1.00 0.00 H new ATOM 0 HD21 LEU A 97 98.338 -4.244 -6.530 1.00 0.00 H new ATOM 0 HD22 LEU A 97 98.382 -2.673 -7.364 1.00 0.00 H new ATOM 0 HD23 LEU A 97 97.848 -2.766 -5.669 1.00 0.00 H new ATOM 1505 N GLU A 98 93.171 -2.159 -5.375 1.00 0.00 N ATOM 1506 CA GLU A 98 92.494 -2.658 -4.191 1.00 0.00 C ATOM 1507 C GLU A 98 91.070 -3.039 -4.553 1.00 0.00 C ATOM 1508 O GLU A 98 90.586 -4.085 -4.151 1.00 0.00 O ATOM 1509 CB GLU A 98 92.480 -1.613 -3.077 1.00 0.00 C ATOM 1510 CG GLU A 98 91.776 -2.197 -1.851 1.00 0.00 C ATOM 1511 CD GLU A 98 92.254 -1.498 -0.582 1.00 0.00 C ATOM 1512 OE1 GLU A 98 93.142 -0.668 -0.680 1.00 0.00 O ATOM 1513 OE2 GLU A 98 91.722 -1.804 0.472 1.00 0.00 O ATOM 0 H GLU A 98 93.310 -1.149 -5.394 1.00 0.00 H new ATOM 0 HA GLU A 98 93.035 -3.531 -3.826 1.00 0.00 H new ATOM 0 HB2 GLU A 98 93.499 -1.322 -2.822 1.00 0.00 H new ATOM 0 HB3 GLU A 98 91.965 -0.713 -3.413 1.00 0.00 H new ATOM 0 HG2 GLU A 98 90.697 -2.081 -1.953 1.00 0.00 H new ATOM 0 HG3 GLU A 98 91.977 -3.266 -1.783 1.00 0.00 H new ATOM 1520 N PHE A 99 90.409 -2.187 -5.335 1.00 0.00 N ATOM 1521 CA PHE A 99 89.039 -2.469 -5.757 1.00 0.00 C ATOM 1522 C PHE A 99 89.035 -3.721 -6.584 1.00 0.00 C ATOM 1523 O PHE A 99 88.161 -4.567 -6.449 1.00 0.00 O ATOM 1524 CB PHE A 99 88.474 -1.337 -6.605 1.00 0.00 C ATOM 1525 CG PHE A 99 87.184 -1.769 -7.275 1.00 0.00 C ATOM 1526 CD1 PHE A 99 86.154 -2.372 -6.536 1.00 0.00 C ATOM 1527 CD2 PHE A 99 87.019 -1.552 -8.649 1.00 0.00 C ATOM 1528 CE1 PHE A 99 84.966 -2.753 -7.175 1.00 0.00 C ATOM 1529 CE2 PHE A 99 85.832 -1.936 -9.285 1.00 0.00 C ATOM 1530 CZ PHE A 99 84.806 -2.536 -8.548 1.00 0.00 C ATOM 0 H PHE A 99 90.793 -1.309 -5.685 1.00 0.00 H new ATOM 0 HA PHE A 99 88.424 -2.580 -4.864 1.00 0.00 H new ATOM 0 HB2 PHE A 99 88.291 -0.463 -5.980 1.00 0.00 H new ATOM 0 HB3 PHE A 99 89.202 -1.042 -7.361 1.00 0.00 H new ATOM 0 HD1 PHE A 99 86.277 -2.542 -5.477 1.00 0.00 H new ATOM 0 HD2 PHE A 99 87.810 -1.087 -9.219 1.00 0.00 H new ATOM 0 HE1 PHE A 99 84.173 -3.215 -6.606 1.00 0.00 H new ATOM 0 HE2 PHE A 99 85.709 -1.769 -10.345 1.00 0.00 H new ATOM 0 HZ PHE A 99 83.890 -2.832 -9.038 1.00 0.00 H new ATOM 1540 N THR A 100 90.032 -3.837 -7.441 1.00 0.00 N ATOM 1541 CA THR A 100 90.135 -5.008 -8.270 1.00 0.00 C ATOM 1542 C THR A 100 90.639 -6.163 -7.425 1.00 0.00 C ATOM 1543 O THR A 100 90.060 -7.244 -7.421 1.00 0.00 O ATOM 1544 CB THR A 100 91.087 -4.754 -9.428 1.00 0.00 C ATOM 1545 OG1 THR A 100 92.330 -4.288 -8.927 1.00 0.00 O ATOM 1546 CG2 THR A 100 90.488 -3.713 -10.373 1.00 0.00 C ATOM 0 H THR A 100 90.768 -3.143 -7.576 1.00 0.00 H new ATOM 0 HA THR A 100 89.155 -5.251 -8.681 1.00 0.00 H new ATOM 0 HB THR A 100 91.244 -5.683 -9.976 1.00 0.00 H new ATOM 0 HG1 THR A 100 92.278 -3.322 -8.770 1.00 0.00 H new ATOM 0 HG21 THR A 100 91.175 -3.535 -11.201 1.00 0.00 H new ATOM 0 HG22 THR A 100 89.538 -4.079 -10.762 1.00 0.00 H new ATOM 0 HG23 THR A 100 90.324 -2.782 -9.831 1.00 0.00 H new ATOM 1554 N GLN A 101 91.709 -5.921 -6.680 1.00 0.00 N ATOM 1555 CA GLN A 101 92.244 -6.966 -5.814 1.00 0.00 C ATOM 1556 C GLN A 101 91.195 -7.340 -4.774 1.00 0.00 C ATOM 1557 O GLN A 101 91.153 -8.469 -4.294 1.00 0.00 O ATOM 1558 CB GLN A 101 93.527 -6.505 -5.120 1.00 0.00 C ATOM 1559 CG GLN A 101 94.061 -7.630 -4.231 1.00 0.00 C ATOM 1560 CD GLN A 101 95.427 -7.246 -3.671 1.00 0.00 C ATOM 1561 OE1 GLN A 101 96.456 -7.679 -4.190 1.00 0.00 O ATOM 1562 NE2 GLN A 101 95.498 -6.454 -2.636 1.00 0.00 N ATOM 0 H GLN A 101 92.214 -5.035 -6.655 1.00 0.00 H new ATOM 0 HA GLN A 101 92.488 -7.835 -6.425 1.00 0.00 H new ATOM 0 HB2 GLN A 101 94.275 -6.228 -5.863 1.00 0.00 H new ATOM 0 HB3 GLN A 101 93.329 -5.616 -4.520 1.00 0.00 H new ATOM 0 HG2 GLN A 101 93.365 -7.822 -3.415 1.00 0.00 H new ATOM 0 HG3 GLN A 101 94.140 -8.553 -4.806 1.00 0.00 H new ATOM 0 HE21 GLN A 101 94.644 -6.097 -2.208 1.00 0.00 H new ATOM 0 HE22 GLN A 101 96.407 -6.192 -2.255 1.00 0.00 H new ATOM 1571 N ALA A 102 90.331 -6.383 -4.448 1.00 0.00 N ATOM 1572 CA ALA A 102 89.261 -6.626 -3.488 1.00 0.00 C ATOM 1573 C ALA A 102 88.058 -7.211 -4.206 1.00 0.00 C ATOM 1574 O ALA A 102 87.546 -8.259 -3.837 1.00 0.00 O ATOM 1575 CB ALA A 102 88.848 -5.334 -2.780 1.00 0.00 C ATOM 0 H ALA A 102 90.351 -5.438 -4.832 1.00 0.00 H new ATOM 0 HA ALA A 102 89.629 -7.327 -2.739 1.00 0.00 H new ATOM 0 HB1 ALA A 102 88.049 -5.547 -2.071 1.00 0.00 H new ATOM 0 HB2 ALA A 102 89.705 -4.921 -2.248 1.00 0.00 H new ATOM 0 HB3 ALA A 102 88.496 -4.612 -3.517 1.00 0.00 H new ATOM 1581 N GLU A 103 87.613 -6.509 -5.233 1.00 0.00 N ATOM 1582 CA GLU A 103 86.460 -6.944 -6.005 1.00 0.00 C ATOM 1583 C GLU A 103 86.815 -8.070 -6.966 1.00 0.00 C ATOM 1584 O GLU A 103 86.151 -9.106 -6.994 1.00 0.00 O ATOM 1585 CB GLU A 103 85.915 -5.769 -6.814 1.00 0.00 C ATOM 1586 CG GLU A 103 84.495 -6.083 -7.286 1.00 0.00 C ATOM 1587 CD GLU A 103 84.361 -5.773 -8.773 1.00 0.00 C ATOM 1588 OE1 GLU A 103 85.206 -6.222 -9.530 1.00 0.00 O ATOM 1589 OE2 GLU A 103 83.415 -5.092 -9.132 1.00 0.00 O ATOM 0 H GLU A 103 88.032 -5.635 -5.553 1.00 0.00 H new ATOM 0 HA GLU A 103 85.713 -7.311 -5.301 1.00 0.00 H new ATOM 0 HB2 GLU A 103 85.915 -4.865 -6.205 1.00 0.00 H new ATOM 0 HB3 GLU A 103 86.559 -5.576 -7.672 1.00 0.00 H new ATOM 0 HG2 GLU A 103 84.265 -7.133 -7.102 1.00 0.00 H new ATOM 0 HG3 GLU A 103 83.775 -5.495 -6.717 1.00 0.00 H new ATOM 1596 N ARG A 104 87.848 -7.853 -7.771 1.00 0.00 N ATOM 1597 CA ARG A 104 88.251 -8.861 -8.753 1.00 0.00 C ATOM 1598 C ARG A 104 88.648 -10.175 -8.086 1.00 0.00 C ATOM 1599 O ARG A 104 88.458 -11.247 -8.660 1.00 0.00 O ATOM 1600 CB ARG A 104 89.416 -8.353 -9.606 1.00 0.00 C ATOM 1601 CG ARG A 104 89.296 -8.924 -11.020 1.00 0.00 C ATOM 1602 CD ARG A 104 88.266 -8.118 -11.815 1.00 0.00 C ATOM 1603 NE ARG A 104 88.939 -7.241 -12.767 1.00 0.00 N ATOM 1604 CZ ARG A 104 88.265 -6.630 -13.735 1.00 0.00 C ATOM 1605 NH1 ARG A 104 86.976 -6.806 -13.847 1.00 0.00 N ATOM 1606 NH2 ARG A 104 88.892 -5.854 -14.576 1.00 0.00 N ATOM 0 H ARG A 104 88.415 -7.005 -7.768 1.00 0.00 H new ATOM 0 HA ARG A 104 87.387 -9.046 -9.391 1.00 0.00 H new ATOM 0 HB2 ARG A 104 89.409 -7.264 -9.640 1.00 0.00 H new ATOM 0 HB3 ARG A 104 90.365 -8.652 -9.160 1.00 0.00 H new ATOM 0 HG2 ARG A 104 90.264 -8.889 -11.520 1.00 0.00 H new ATOM 0 HG3 ARG A 104 88.997 -9.971 -10.976 1.00 0.00 H new ATOM 0 HD2 ARG A 104 87.594 -8.794 -12.344 1.00 0.00 H new ATOM 0 HD3 ARG A 104 87.653 -7.527 -11.135 1.00 0.00 H new ATOM 0 HE ARG A 104 89.945 -7.094 -12.688 1.00 0.00 H new ATOM 0 HH11 ARG A 104 86.485 -7.413 -13.191 1.00 0.00 H new ATOM 0 HH12 ARG A 104 86.460 -6.336 -14.591 1.00 0.00 H new ATOM 0 HH21 ARG A 104 89.899 -5.717 -14.490 1.00 0.00 H new ATOM 0 HH22 ARG A 104 88.375 -5.385 -15.320 1.00 0.00 H new ATOM 1620 N SER A 105 89.210 -10.098 -6.884 1.00 0.00 N ATOM 1621 CA SER A 105 89.629 -11.311 -6.187 1.00 0.00 C ATOM 1622 C SER A 105 88.473 -11.937 -5.413 1.00 0.00 C ATOM 1623 O SER A 105 88.216 -13.134 -5.539 1.00 0.00 O ATOM 1624 CB SER A 105 90.777 -11.007 -5.228 1.00 0.00 C ATOM 1625 OG SER A 105 91.659 -10.074 -5.837 1.00 0.00 O ATOM 0 H SER A 105 89.384 -9.228 -6.380 1.00 0.00 H new ATOM 0 HA SER A 105 89.965 -12.022 -6.942 1.00 0.00 H new ATOM 0 HB2 SER A 105 90.389 -10.602 -4.293 1.00 0.00 H new ATOM 0 HB3 SER A 105 91.312 -11.924 -4.980 1.00 0.00 H new ATOM 0 HG SER A 105 92.096 -9.536 -5.144 1.00 0.00 H new ATOM 1631 N ILE A 106 87.777 -11.137 -4.606 1.00 0.00 N ATOM 1632 CA ILE A 106 86.660 -11.676 -3.826 1.00 0.00 C ATOM 1633 C ILE A 106 85.545 -12.163 -4.746 1.00 0.00 C ATOM 1634 O ILE A 106 84.781 -13.058 -4.386 1.00 0.00 O ATOM 1635 CB ILE A 106 86.106 -10.629 -2.855 1.00 0.00 C ATOM 1636 CG1 ILE A 106 85.557 -11.338 -1.610 1.00 0.00 C ATOM 1637 CG2 ILE A 106 84.979 -9.844 -3.529 1.00 0.00 C ATOM 1638 CD1 ILE A 106 85.072 -10.300 -0.593 1.00 0.00 C ATOM 0 H ILE A 106 87.958 -10.142 -4.475 1.00 0.00 H new ATOM 0 HA ILE A 106 87.040 -12.519 -3.249 1.00 0.00 H new ATOM 0 HB ILE A 106 86.902 -9.942 -2.569 1.00 0.00 H new ATOM 0 HG12 ILE A 106 84.736 -11.999 -1.889 1.00 0.00 H new ATOM 0 HG13 ILE A 106 86.331 -11.963 -1.165 1.00 0.00 H new ATOM 0 HG21 ILE A 106 84.588 -9.100 -2.835 1.00 0.00 H new ATOM 0 HG22 ILE A 106 85.365 -9.344 -4.417 1.00 0.00 H new ATOM 0 HG23 ILE A 106 84.180 -10.528 -3.816 1.00 0.00 H new ATOM 0 HD11 ILE A 106 84.683 -10.809 0.289 1.00 0.00 H new ATOM 0 HD12 ILE A 106 85.904 -9.657 -0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 106 84.283 -9.694 -1.039 1.00 0.00 H new ATOM 1650 N GLU A 107 85.454 -11.572 -5.933 1.00 0.00 N ATOM 1651 CA GLU A 107 84.422 -11.960 -6.889 1.00 0.00 C ATOM 1652 C GLU A 107 84.359 -13.478 -7.028 1.00 0.00 C ATOM 1653 O GLU A 107 83.323 -14.035 -7.390 1.00 0.00 O ATOM 1654 CB GLU A 107 84.707 -11.334 -8.255 1.00 0.00 C ATOM 1655 CG GLU A 107 83.728 -10.187 -8.505 1.00 0.00 C ATOM 1656 CD GLU A 107 84.069 -9.488 -9.818 1.00 0.00 C ATOM 1657 OE1 GLU A 107 84.546 -10.160 -10.717 1.00 0.00 O ATOM 1658 OE2 GLU A 107 83.845 -8.293 -9.903 1.00 0.00 O ATOM 0 H GLU A 107 86.075 -10.830 -6.254 1.00 0.00 H new ATOM 0 HA GLU A 107 83.462 -11.600 -6.518 1.00 0.00 H new ATOM 0 HB2 GLU A 107 85.732 -10.965 -8.291 1.00 0.00 H new ATOM 0 HB3 GLU A 107 84.611 -12.086 -9.038 1.00 0.00 H new ATOM 0 HG2 GLU A 107 82.708 -10.570 -8.541 1.00 0.00 H new ATOM 0 HG3 GLU A 107 83.772 -9.474 -7.682 1.00 0.00 H new ATOM 1665 N ARG A 108 85.474 -14.140 -6.740 1.00 0.00 N ATOM 1666 CA ARG A 108 85.531 -15.594 -6.840 1.00 0.00 C ATOM 1667 C ARG A 108 86.079 -16.202 -5.552 1.00 0.00 C ATOM 1668 O ARG A 108 85.413 -17.008 -4.903 1.00 0.00 O ATOM 1669 CB ARG A 108 86.415 -16.007 -8.020 1.00 0.00 C ATOM 1670 CG ARG A 108 87.444 -14.910 -8.303 1.00 0.00 C ATOM 1671 CD ARG A 108 88.613 -15.501 -9.095 1.00 0.00 C ATOM 1672 NE ARG A 108 89.308 -14.451 -9.830 1.00 0.00 N ATOM 1673 CZ ARG A 108 88.767 -13.892 -10.908 1.00 0.00 C ATOM 1674 NH1 ARG A 108 87.591 -14.279 -11.323 1.00 0.00 N ATOM 1675 NH2 ARG A 108 89.411 -12.957 -11.550 1.00 0.00 N ATOM 0 H ARG A 108 86.343 -13.699 -6.438 1.00 0.00 H new ATOM 0 HA ARG A 108 84.519 -15.965 -7.000 1.00 0.00 H new ATOM 0 HB2 ARG A 108 86.922 -16.945 -7.796 1.00 0.00 H new ATOM 0 HB3 ARG A 108 85.801 -16.180 -8.904 1.00 0.00 H new ATOM 0 HG2 ARG A 108 86.982 -14.099 -8.866 1.00 0.00 H new ATOM 0 HG3 ARG A 108 87.804 -14.483 -7.367 1.00 0.00 H new ATOM 0 HD2 ARG A 108 89.306 -15.999 -8.417 1.00 0.00 H new ATOM 0 HD3 ARG A 108 88.246 -16.258 -9.788 1.00 0.00 H new ATOM 0 HE ARG A 108 90.226 -14.140 -9.511 1.00 0.00 H new ATOM 0 HH11 ARG A 108 87.088 -15.010 -10.820 1.00 0.00 H new ATOM 0 HH12 ARG A 108 87.176 -13.850 -12.150 1.00 0.00 H new ATOM 0 HH21 ARG A 108 90.329 -12.655 -11.225 1.00 0.00 H new ATOM 0 HH22 ARG A 108 88.996 -12.528 -12.377 1.00 0.00 H new