USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 755 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 85 THR OG1 : rot -38:sc= 1.23 USER MOD Set 1.2: A 106 HIS : no HE2:sc= -0.226 K(o=1,f=0.3) USER MOD Set 2.1: A 54 TYR OH : rot -16:sc= 1.21 USER MOD Set 2.2: A 91 ASN :FLIP amide:sc= 1.02 F(o=-0.21,f=2.2) USER MOD Set 3.1: A 32 TYR OH : rot 180:sc= 1.05 USER MOD Set 3.2: A 78 LYS NZ :NH3+ 177:sc= 1.25 (180deg=0.0154) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0.357 K(o=0.36,f=-0.34) USER MOD Single : A 39 ASN : amide:sc= -3.53! C(o=-3.5!,f=-8!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0804 USER MOD Single : A 49 THR OG1 : rot 84:sc= 0.551 USER MOD Single : A 52 SER OG : rot 61:sc= -0.95! USER MOD Single : A 63 SER OG : rot 174:sc= 1.14 USER MOD Single : A 72 GLN : amide:sc= -0.067 K(o=-0.067,f=-1.9!) USER MOD Single : A 76 TYR OH : rot 40:sc= 1.94 USER MOD Single : A 79 TYR OH : rot -25:sc= 0.469 USER MOD Single : A 82 GLN : amide:sc= -2.27! K(o=-2.3!,f=-3) USER MOD Single : A 84 SER OG : rot 174:sc= -1.63 USER MOD Single : A 93 ASN : amide:sc= -0.236 K(o=-0.24,f=-3.9!) USER MOD Single : A 96 LYS NZ :NH3+ -169:sc= 1.02 (180deg=0.933) USER MOD Single : A 103 LYS NZ :NH3+ -164:sc= -0.0397 (180deg=-0.32) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : B 227 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 230 SER OG : rot 180:sc= 0 USER MOD Single : B 244 LYS NZ :NH3+ -161:sc= 1.28 (180deg=1.17) USER MOD Single : B 248 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 249 GLN :FLIP amide:sc= -2.3! C(o=-3.4!,f=-2.3!) USER MOD Single : B 250 ASN : amide:sc= 1.03 K(o=1,f=-0.17) USER MOD Single : B 253 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 101 N ALA A 31 3.227 9.053 4.695 1.00 0.00 N ATOM 102 CA ALA A 31 2.769 8.679 3.369 1.00 0.00 C ATOM 103 C ALA A 31 2.648 7.167 3.288 1.00 0.00 C ATOM 104 O ALA A 31 2.296 6.606 2.249 1.00 0.00 O ATOM 105 CB ALA A 31 3.775 9.128 2.315 1.00 0.00 C ATOM 0 HA ALA A 31 1.806 9.156 3.188 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.418 8.841 1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.889 10.211 2.359 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.738 8.654 2.505 1.00 0.00 H new ATOM 111 N TYR A 32 2.948 6.529 4.386 1.00 0.00 N ATOM 112 CA TYR A 32 3.032 5.097 4.478 1.00 0.00 C ATOM 113 C TYR A 32 1.865 4.587 5.280 1.00 0.00 C ATOM 114 O TYR A 32 1.393 5.264 6.207 1.00 0.00 O ATOM 115 CB TYR A 32 4.356 4.725 5.172 1.00 0.00 C ATOM 116 CG TYR A 32 5.621 5.179 4.434 1.00 0.00 C ATOM 117 CD1 TYR A 32 5.930 6.519 4.255 1.00 0.00 C ATOM 118 CD2 TYR A 32 6.502 4.265 3.944 1.00 0.00 C ATOM 119 CE1 TYR A 32 7.070 6.911 3.609 1.00 0.00 C ATOM 120 CE2 TYR A 32 7.645 4.649 3.296 1.00 0.00 C ATOM 121 CZ TYR A 32 7.923 5.965 3.134 1.00 0.00 C ATOM 122 OH TYR A 32 9.062 6.340 2.473 1.00 0.00 O ATOM 0 H TYR A 32 3.146 7.004 5.266 1.00 0.00 H new ATOM 0 HA TYR A 32 3.004 4.648 3.485 1.00 0.00 H new ATOM 0 HB2 TYR A 32 4.360 5.160 6.172 1.00 0.00 H new ATOM 0 HB3 TYR A 32 4.393 3.643 5.295 1.00 0.00 H new ATOM 0 HD1 TYR A 32 5.254 7.271 4.635 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.295 3.213 4.069 1.00 0.00 H new ATOM 0 HE1 TYR A 32 7.290 7.960 3.478 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.325 3.903 2.914 1.00 0.00 H new ATOM 0 HH TYR A 32 9.560 5.541 2.201 1.00 0.00 H new ATOM 132 N ILE A 33 1.378 3.425 4.921 1.00 0.00 N ATOM 133 CA ILE A 33 0.259 2.820 5.602 1.00 0.00 C ATOM 134 C ILE A 33 0.429 1.336 5.702 1.00 0.00 C ATOM 135 O ILE A 33 1.233 0.729 4.983 1.00 0.00 O ATOM 136 CB ILE A 33 -1.104 3.093 4.914 1.00 0.00 C ATOM 137 CG1 ILE A 33 -1.052 2.719 3.432 1.00 0.00 C ATOM 138 CG2 ILE A 33 -1.538 4.533 5.103 1.00 0.00 C ATOM 139 CD1 ILE A 33 -2.384 2.776 2.746 1.00 0.00 C ATOM 0 H ILE A 33 1.746 2.871 4.148 1.00 0.00 H new ATOM 0 HA ILE A 33 0.247 3.281 6.590 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.852 2.461 5.393 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.362 3.391 2.921 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.647 1.712 3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.497 4.692 4.609 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.638 4.746 6.167 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.791 5.198 4.669 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.266 2.498 1.699 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.072 2.083 3.230 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.783 3.788 2.810 1.00 0.00 H new ATOM 151 N TYR A 34 -0.332 0.771 6.575 1.00 0.00 N ATOM 152 CA TYR A 34 -0.384 -0.627 6.789 1.00 0.00 C ATOM 153 C TYR A 34 -1.753 -1.128 6.398 1.00 0.00 C ATOM 154 O TYR A 34 -2.773 -0.583 6.831 1.00 0.00 O ATOM 155 CB TYR A 34 -0.080 -0.935 8.258 1.00 0.00 C ATOM 156 CG TYR A 34 -0.557 -2.277 8.729 1.00 0.00 C ATOM 157 CD1 TYR A 34 0.023 -3.453 8.285 1.00 0.00 C ATOM 158 CD2 TYR A 34 -1.617 -2.353 9.599 1.00 0.00 C ATOM 159 CE1 TYR A 34 -0.446 -4.675 8.709 1.00 0.00 C ATOM 160 CE2 TYR A 34 -2.101 -3.567 10.028 1.00 0.00 C ATOM 161 CZ TYR A 34 -1.508 -4.729 9.580 1.00 0.00 C ATOM 162 OH TYR A 34 -1.994 -5.952 9.998 1.00 0.00 O ATOM 0 H TYR A 34 -0.960 1.297 7.183 1.00 0.00 H new ATOM 0 HA TYR A 34 0.364 -1.133 6.178 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.997 -0.873 8.413 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.536 -0.164 8.879 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.854 -3.411 7.597 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.079 -1.443 9.953 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.017 -5.586 8.360 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.938 -3.610 10.709 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.745 -5.813 10.612 1.00 0.00 H new ATOM 172 N ILE A 35 -1.774 -2.113 5.558 1.00 0.00 N ATOM 173 CA ILE A 35 -2.994 -2.728 5.132 1.00 0.00 C ATOM 174 C ILE A 35 -3.037 -4.121 5.743 1.00 0.00 C ATOM 175 O ILE A 35 -2.088 -4.886 5.607 1.00 0.00 O ATOM 176 CB ILE A 35 -3.010 -2.877 3.598 1.00 0.00 C ATOM 177 CG1 ILE A 35 -2.610 -1.573 2.939 1.00 0.00 C ATOM 178 CG2 ILE A 35 -4.417 -3.249 3.138 1.00 0.00 C ATOM 179 CD1 ILE A 35 -1.985 -1.756 1.583 1.00 0.00 C ATOM 0 H ILE A 35 -0.936 -2.519 5.143 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.844 -2.120 5.441 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.303 -3.657 3.315 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.491 -0.938 2.842 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.908 -1.048 3.587 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.429 -3.355 2.053 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.713 -4.192 3.598 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.115 -2.466 3.434 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.723 -0.782 1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.086 -2.365 1.676 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.693 -2.254 0.920 1.00 0.00 H new ATOM 191 N GLY A 36 -4.098 -4.431 6.397 1.00 0.00 N ATOM 192 CA GLY A 36 -4.263 -5.717 7.009 1.00 0.00 C ATOM 193 C GLY A 36 -5.559 -6.343 6.582 1.00 0.00 C ATOM 194 O GLY A 36 -6.422 -5.648 6.030 1.00 0.00 O ATOM 0 H GLY A 36 -4.888 -3.800 6.529 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.431 -6.366 6.734 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.242 -5.615 8.094 1.00 0.00 H new ATOM 198 N ASN A 37 -5.694 -7.641 6.838 1.00 0.00 N ATOM 199 CA ASN A 37 -6.875 -8.452 6.477 1.00 0.00 C ATOM 200 C ASN A 37 -6.910 -8.679 4.986 1.00 0.00 C ATOM 201 O ASN A 37 -7.965 -8.649 4.354 1.00 0.00 O ATOM 202 CB ASN A 37 -8.221 -7.857 6.954 1.00 0.00 C ATOM 203 CG ASN A 37 -8.335 -7.644 8.452 1.00 0.00 C ATOM 204 OD1 ASN A 37 -7.690 -8.322 9.268 1.00 0.00 O ATOM 205 ND2 ASN A 37 -9.211 -6.751 8.835 1.00 0.00 N ATOM 0 H ASN A 37 -4.972 -8.181 7.314 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.761 -9.399 7.004 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.376 -6.901 6.454 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.027 -8.518 6.634 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.380 -6.596 9.829 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.725 -6.210 8.140 1.00 0.00 H new ATOM 212 N LEU A 38 -5.752 -8.931 4.425 1.00 0.00 N ATOM 213 CA LEU A 38 -5.634 -9.195 3.005 1.00 0.00 C ATOM 214 C LEU A 38 -6.170 -10.545 2.651 1.00 0.00 C ATOM 215 O LEU A 38 -6.059 -11.504 3.426 1.00 0.00 O ATOM 216 CB LEU A 38 -4.190 -9.065 2.492 1.00 0.00 C ATOM 217 CG LEU A 38 -3.782 -7.717 1.907 1.00 0.00 C ATOM 218 CD1 LEU A 38 -4.582 -7.433 0.660 1.00 0.00 C ATOM 219 CD2 LEU A 38 -3.973 -6.610 2.899 1.00 0.00 C ATOM 0 H LEU A 38 -4.868 -8.960 4.933 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.234 -8.430 2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.515 -9.294 3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.032 -9.827 1.729 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.722 -7.766 1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.284 -6.468 0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.397 -8.215 -0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.644 -7.411 0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.673 -5.663 2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.023 -6.558 3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.363 -6.803 3.781 1.00 0.00 H new ATOM 231 N ASN A 39 -6.760 -10.617 1.496 1.00 0.00 N ATOM 232 CA ASN A 39 -7.263 -11.857 0.985 1.00 0.00 C ATOM 233 C ASN A 39 -6.098 -12.561 0.346 1.00 0.00 C ATOM 234 O ASN A 39 -5.227 -11.908 -0.246 1.00 0.00 O ATOM 235 CB ASN A 39 -8.332 -11.611 -0.085 1.00 0.00 C ATOM 236 CG ASN A 39 -9.177 -12.842 -0.404 1.00 0.00 C ATOM 237 OD1 ASN A 39 -8.776 -13.974 -0.165 1.00 0.00 O ATOM 238 ND2 ASN A 39 -10.276 -12.634 -1.058 1.00 0.00 N ATOM 0 H ASN A 39 -6.907 -9.817 0.880 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.712 -12.442 1.788 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.989 -10.807 0.248 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.847 -11.268 -0.999 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.831 -13.424 -1.388 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.587 -11.680 -1.243 1.00 0.00 H new ATOM 245 N ARG A 40 -6.094 -13.862 0.431 1.00 0.00 N ATOM 246 CA ARG A 40 -5.046 -14.692 -0.126 1.00 0.00 C ATOM 247 C ARG A 40 -4.926 -14.525 -1.657 1.00 0.00 C ATOM 248 O ARG A 40 -3.908 -14.856 -2.244 1.00 0.00 O ATOM 249 CB ARG A 40 -5.274 -16.172 0.310 1.00 0.00 C ATOM 250 CG ARG A 40 -6.649 -16.766 -0.041 1.00 0.00 C ATOM 251 CD ARG A 40 -6.757 -17.030 -1.516 1.00 0.00 C ATOM 252 NE ARG A 40 -8.055 -17.510 -1.941 1.00 0.00 N ATOM 253 CZ ARG A 40 -8.316 -17.944 -3.174 1.00 0.00 C ATOM 254 NH1 ARG A 40 -7.336 -18.003 -4.086 1.00 0.00 N ATOM 255 NH2 ARG A 40 -9.545 -18.315 -3.499 1.00 0.00 N ATOM 0 H ARG A 40 -6.830 -14.392 0.897 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.084 -14.367 0.271 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.503 -16.790 -0.151 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.134 -16.239 1.389 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.801 -17.694 0.511 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.436 -16.079 0.268 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.528 -16.111 -2.056 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.001 -17.763 -1.799 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.813 -17.516 -1.258 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.390 -17.716 -3.837 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.537 -18.335 -5.029 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.292 -18.269 -2.806 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.745 -18.647 -4.443 1.00 0.00 H new ATOM 269 N GLU A 41 -5.984 -14.006 -2.279 1.00 0.00 N ATOM 270 CA GLU A 41 -6.028 -13.830 -3.724 1.00 0.00 C ATOM 271 C GLU A 41 -5.725 -12.381 -4.136 1.00 0.00 C ATOM 272 O GLU A 41 -5.854 -12.023 -5.311 1.00 0.00 O ATOM 273 CB GLU A 41 -7.395 -14.238 -4.278 1.00 0.00 C ATOM 274 CG GLU A 41 -8.544 -13.433 -3.735 1.00 0.00 C ATOM 275 CD GLU A 41 -9.819 -13.649 -4.499 1.00 0.00 C ATOM 276 OE1 GLU A 41 -10.465 -14.709 -4.348 1.00 0.00 O ATOM 277 OE2 GLU A 41 -10.202 -12.757 -5.278 1.00 0.00 O ATOM 0 H GLU A 41 -6.828 -13.698 -1.796 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.256 -14.474 -4.144 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.379 -14.141 -5.364 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.566 -15.291 -4.055 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.704 -13.696 -2.689 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.285 -12.375 -3.762 1.00 0.00 H new ATOM 284 N LEU A 42 -5.365 -11.550 -3.191 1.00 0.00 N ATOM 285 CA LEU A 42 -5.064 -10.162 -3.497 1.00 0.00 C ATOM 286 C LEU A 42 -3.579 -9.964 -3.669 1.00 0.00 C ATOM 287 O LEU A 42 -2.785 -10.335 -2.795 1.00 0.00 O ATOM 288 CB LEU A 42 -5.637 -9.204 -2.438 1.00 0.00 C ATOM 289 CG LEU A 42 -7.161 -9.010 -2.451 1.00 0.00 C ATOM 290 CD1 LEU A 42 -7.604 -8.140 -1.287 1.00 0.00 C ATOM 291 CD2 LEU A 42 -7.603 -8.375 -3.756 1.00 0.00 C ATOM 0 H LEU A 42 -5.272 -11.802 -2.207 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.552 -9.920 -4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.347 -9.569 -1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.167 -8.229 -2.568 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.625 -9.991 -2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.687 -8.016 -1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.319 -8.615 -0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.125 -7.164 -1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.685 -8.245 -3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.121 -7.404 -3.870 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.321 -9.020 -4.588 1.00 0.00 H new ATOM 303 N THR A 43 -3.213 -9.400 -4.789 1.00 0.00 N ATOM 304 CA THR A 43 -1.844 -9.154 -5.114 1.00 0.00 C ATOM 305 C THR A 43 -1.624 -7.642 -5.259 1.00 0.00 C ATOM 306 O THR A 43 -2.583 -6.852 -5.148 1.00 0.00 O ATOM 307 CB THR A 43 -1.370 -9.941 -6.385 1.00 0.00 C ATOM 308 OG1 THR A 43 0.061 -9.861 -6.506 1.00 0.00 O ATOM 309 CG2 THR A 43 -1.994 -9.394 -7.660 1.00 0.00 C ATOM 0 H THR A 43 -3.871 -9.096 -5.507 1.00 0.00 H new ATOM 0 HA THR A 43 -1.226 -9.529 -4.298 1.00 0.00 H new ATOM 0 HB THR A 43 -1.689 -10.976 -6.259 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.350 -10.356 -7.301 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.638 -9.969 -8.515 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.079 -9.473 -7.597 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.713 -8.348 -7.783 1.00 0.00 H new ATOM 317 N GLU A 44 -0.371 -7.248 -5.478 1.00 0.00 N ATOM 318 CA GLU A 44 0.039 -5.841 -5.558 1.00 0.00 C ATOM 319 C GLU A 44 -0.783 -5.080 -6.592 1.00 0.00 C ATOM 320 O GLU A 44 -1.190 -3.956 -6.344 1.00 0.00 O ATOM 321 CB GLU A 44 1.525 -5.753 -5.926 1.00 0.00 C ATOM 322 CG GLU A 44 2.452 -6.399 -4.916 1.00 0.00 C ATOM 323 CD GLU A 44 3.895 -6.420 -5.360 1.00 0.00 C ATOM 324 OE1 GLU A 44 4.303 -7.383 -6.046 1.00 0.00 O ATOM 325 OE2 GLU A 44 4.649 -5.510 -5.036 1.00 0.00 O ATOM 0 H GLU A 44 0.400 -7.903 -5.607 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.131 -5.387 -4.582 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.677 -6.226 -6.896 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.800 -4.704 -6.036 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.378 -5.863 -3.970 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.121 -7.421 -4.730 1.00 0.00 H new ATOM 332 N GLY A 45 -1.066 -5.722 -7.720 1.00 0.00 N ATOM 333 CA GLY A 45 -1.840 -5.088 -8.778 1.00 0.00 C ATOM 334 C GLY A 45 -3.240 -4.684 -8.343 1.00 0.00 C ATOM 335 O GLY A 45 -3.731 -3.617 -8.730 1.00 0.00 O ATOM 0 H GLY A 45 -0.772 -6.677 -7.924 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.307 -4.204 -9.128 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.913 -5.772 -9.624 1.00 0.00 H new ATOM 339 N ASP A 46 -3.871 -5.515 -7.517 1.00 0.00 N ATOM 340 CA ASP A 46 -5.228 -5.243 -7.025 1.00 0.00 C ATOM 341 C ASP A 46 -5.188 -4.044 -6.126 1.00 0.00 C ATOM 342 O ASP A 46 -5.953 -3.087 -6.297 1.00 0.00 O ATOM 343 CB ASP A 46 -5.799 -6.435 -6.233 1.00 0.00 C ATOM 344 CG ASP A 46 -5.883 -7.716 -7.020 1.00 0.00 C ATOM 345 OD1 ASP A 46 -6.878 -7.933 -7.740 1.00 0.00 O ATOM 346 OD2 ASP A 46 -4.946 -8.530 -6.946 1.00 0.00 O ATOM 0 H ASP A 46 -3.467 -6.385 -7.171 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.871 -5.067 -7.888 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.178 -6.603 -5.353 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.795 -6.175 -5.876 1.00 0.00 H new ATOM 351 N ILE A 47 -4.251 -4.078 -5.197 1.00 0.00 N ATOM 352 CA ILE A 47 -4.063 -3.012 -4.242 1.00 0.00 C ATOM 353 C ILE A 47 -3.722 -1.703 -4.949 1.00 0.00 C ATOM 354 O ILE A 47 -4.330 -0.689 -4.683 1.00 0.00 O ATOM 355 CB ILE A 47 -2.970 -3.364 -3.184 1.00 0.00 C ATOM 356 CG1 ILE A 47 -3.445 -4.500 -2.265 1.00 0.00 C ATOM 357 CG2 ILE A 47 -2.551 -2.147 -2.372 1.00 0.00 C ATOM 358 CD1 ILE A 47 -2.472 -4.827 -1.148 1.00 0.00 C ATOM 0 H ILE A 47 -3.597 -4.853 -5.087 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.006 -2.886 -3.710 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.090 -3.707 -3.728 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.406 -4.226 -1.829 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.611 -5.395 -2.864 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.789 -2.437 -1.648 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.146 -1.386 -3.039 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.417 -1.745 -1.846 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.874 -5.638 -0.541 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.517 -5.133 -1.575 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.324 -3.945 -0.524 1.00 0.00 H new ATOM 370 N LEU A 48 -2.822 -1.766 -5.906 1.00 0.00 N ATOM 371 CA LEU A 48 -2.350 -0.580 -6.612 1.00 0.00 C ATOM 372 C LEU A 48 -3.466 0.128 -7.309 1.00 0.00 C ATOM 373 O LEU A 48 -3.587 1.330 -7.198 1.00 0.00 O ATOM 374 CB LEU A 48 -1.261 -0.926 -7.614 1.00 0.00 C ATOM 375 CG LEU A 48 0.132 -1.154 -7.054 1.00 0.00 C ATOM 376 CD1 LEU A 48 1.027 -1.725 -8.132 1.00 0.00 C ATOM 377 CD2 LEU A 48 0.715 0.161 -6.532 1.00 0.00 C ATOM 0 H LEU A 48 -2.393 -2.636 -6.221 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.934 0.087 -5.857 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.564 -1.826 -8.149 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.206 -0.122 -8.348 1.00 0.00 H new ATOM 0 HG LEU A 48 0.070 -1.861 -6.226 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.026 -1.888 -7.727 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.618 -2.673 -8.480 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.083 -1.026 -8.966 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.714 -0.017 -6.133 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.773 0.882 -7.347 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.074 0.555 -5.743 1.00 0.00 H new ATOM 389 N THR A 49 -4.291 -0.621 -7.992 1.00 0.00 N ATOM 390 CA THR A 49 -5.407 -0.071 -8.709 1.00 0.00 C ATOM 391 C THR A 49 -6.404 0.605 -7.777 1.00 0.00 C ATOM 392 O THR A 49 -6.835 1.737 -8.032 1.00 0.00 O ATOM 393 CB THR A 49 -6.087 -1.167 -9.508 1.00 0.00 C ATOM 394 OG1 THR A 49 -5.137 -1.690 -10.458 1.00 0.00 O ATOM 395 CG2 THR A 49 -7.290 -0.625 -10.234 1.00 0.00 C ATOM 0 H THR A 49 -4.206 -1.635 -8.066 1.00 0.00 H new ATOM 0 HA THR A 49 -5.030 0.695 -9.386 1.00 0.00 H new ATOM 0 HB THR A 49 -6.425 -1.955 -8.835 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.575 -2.364 -10.022 1.00 0.00 H new ATOM 0 HG21 THR A 49 -7.764 -1.426 -10.801 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.000 -0.223 -9.512 1.00 0.00 H new ATOM 0 HG23 THR A 49 -6.978 0.166 -10.915 1.00 0.00 H new ATOM 403 N VAL A 50 -6.718 -0.064 -6.694 1.00 0.00 N ATOM 404 CA VAL A 50 -7.652 0.451 -5.724 1.00 0.00 C ATOM 405 C VAL A 50 -7.089 1.693 -5.043 1.00 0.00 C ATOM 406 O VAL A 50 -7.721 2.737 -5.010 1.00 0.00 O ATOM 407 CB VAL A 50 -8.009 -0.638 -4.683 1.00 0.00 C ATOM 408 CG1 VAL A 50 -8.799 -0.054 -3.541 1.00 0.00 C ATOM 409 CG2 VAL A 50 -8.798 -1.754 -5.352 1.00 0.00 C ATOM 0 H VAL A 50 -6.333 -0.980 -6.461 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.567 0.737 -6.243 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.082 -1.046 -4.279 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.037 -0.840 -2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.210 0.720 -3.049 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.723 0.381 -3.923 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.046 -2.517 -4.614 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.716 -1.347 -5.776 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.198 -2.199 -6.146 1.00 0.00 H new ATOM 419 N PHE A 51 -5.870 1.582 -4.588 1.00 0.00 N ATOM 420 CA PHE A 51 -5.198 2.627 -3.890 1.00 0.00 C ATOM 421 C PHE A 51 -4.945 3.852 -4.775 1.00 0.00 C ATOM 422 O PHE A 51 -4.854 4.980 -4.297 1.00 0.00 O ATOM 423 CB PHE A 51 -3.940 2.080 -3.227 1.00 0.00 C ATOM 424 CG PHE A 51 -4.234 1.245 -1.967 1.00 0.00 C ATOM 425 CD1 PHE A 51 -5.174 0.217 -1.966 1.00 0.00 C ATOM 426 CD2 PHE A 51 -3.555 1.494 -0.798 1.00 0.00 C ATOM 427 CE1 PHE A 51 -5.413 -0.530 -0.830 1.00 0.00 C ATOM 428 CE2 PHE A 51 -3.793 0.758 0.329 1.00 0.00 C ATOM 429 CZ PHE A 51 -4.715 -0.254 0.322 1.00 0.00 C ATOM 0 H PHE A 51 -5.309 0.738 -4.699 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.849 2.994 -3.097 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.397 1.465 -3.944 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.287 2.911 -2.960 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.725 0.001 -2.869 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.820 2.285 -0.769 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.143 -1.326 -0.846 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.248 0.977 1.235 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.893 -0.832 1.216 1.00 0.00 H new ATOM 439 N SER A 52 -4.923 3.630 -6.078 1.00 0.00 N ATOM 440 CA SER A 52 -4.757 4.696 -7.034 1.00 0.00 C ATOM 441 C SER A 52 -5.970 5.624 -7.106 1.00 0.00 C ATOM 442 O SER A 52 -5.837 6.764 -7.531 1.00 0.00 O ATOM 443 CB SER A 52 -4.428 4.155 -8.408 1.00 0.00 C ATOM 444 OG SER A 52 -3.147 3.573 -8.436 1.00 0.00 O ATOM 0 H SER A 52 -5.020 2.705 -6.496 1.00 0.00 H new ATOM 0 HA SER A 52 -3.916 5.292 -6.679 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.173 3.414 -8.697 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.480 4.961 -9.140 1.00 0.00 H new ATOM 0 HG SER A 52 -3.115 2.822 -7.808 1.00 0.00 H new ATOM 450 N GLU A 53 -7.153 5.179 -6.694 1.00 0.00 N ATOM 451 CA GLU A 53 -8.272 6.110 -6.722 1.00 0.00 C ATOM 452 C GLU A 53 -8.139 7.140 -5.593 1.00 0.00 C ATOM 453 O GLU A 53 -8.738 8.217 -5.648 1.00 0.00 O ATOM 454 CB GLU A 53 -9.665 5.450 -6.691 1.00 0.00 C ATOM 455 CG GLU A 53 -10.051 4.789 -5.385 1.00 0.00 C ATOM 456 CD GLU A 53 -11.538 4.551 -5.291 1.00 0.00 C ATOM 457 OE1 GLU A 53 -12.301 5.561 -5.239 1.00 0.00 O ATOM 458 OE2 GLU A 53 -11.974 3.398 -5.235 1.00 0.00 O ATOM 0 H GLU A 53 -7.356 4.238 -6.356 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.212 6.605 -7.691 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -10.411 6.209 -6.927 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.710 4.702 -7.482 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.525 3.839 -5.290 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.731 5.416 -4.553 1.00 0.00 H new ATOM 465 N TYR A 54 -7.348 6.807 -4.578 1.00 0.00 N ATOM 466 CA TYR A 54 -7.162 7.678 -3.425 1.00 0.00 C ATOM 467 C TYR A 54 -5.965 8.588 -3.615 1.00 0.00 C ATOM 468 O TYR A 54 -5.740 9.515 -2.840 1.00 0.00 O ATOM 469 CB TYR A 54 -6.993 6.848 -2.170 1.00 0.00 C ATOM 470 CG TYR A 54 -8.090 5.840 -2.021 1.00 0.00 C ATOM 471 CD1 TYR A 54 -9.388 6.209 -1.721 1.00 0.00 C ATOM 472 CD2 TYR A 54 -7.821 4.522 -2.213 1.00 0.00 C ATOM 473 CE1 TYR A 54 -10.378 5.261 -1.626 1.00 0.00 C ATOM 474 CE2 TYR A 54 -8.790 3.568 -2.118 1.00 0.00 C ATOM 475 CZ TYR A 54 -10.066 3.937 -1.829 1.00 0.00 C ATOM 476 OH TYR A 54 -11.039 2.982 -1.739 1.00 0.00 O ATOM 0 H TYR A 54 -6.823 5.934 -4.532 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.049 8.303 -3.324 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.031 6.337 -2.198 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.980 7.503 -1.299 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.626 7.250 -1.560 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.810 4.222 -2.448 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -11.392 5.553 -1.394 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -8.546 2.527 -2.271 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.822 3.355 -1.283 1.00 0.00 H new ATOM 486 N GLY A 55 -5.190 8.321 -4.632 1.00 0.00 N ATOM 487 CA GLY A 55 -4.052 9.130 -4.899 1.00 0.00 C ATOM 488 C GLY A 55 -3.032 8.399 -5.702 1.00 0.00 C ATOM 489 O GLY A 55 -3.358 7.459 -6.413 1.00 0.00 O ATOM 0 H GLY A 55 -5.333 7.549 -5.283 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.361 10.028 -5.434 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.609 9.456 -3.958 1.00 0.00 H new ATOM 493 N VAL A 56 -1.804 8.809 -5.582 1.00 0.00 N ATOM 494 CA VAL A 56 -0.734 8.218 -6.348 1.00 0.00 C ATOM 495 C VAL A 56 0.117 7.294 -5.486 1.00 0.00 C ATOM 496 O VAL A 56 0.808 7.760 -4.563 1.00 0.00 O ATOM 497 CB VAL A 56 0.163 9.307 -6.990 1.00 0.00 C ATOM 498 CG1 VAL A 56 1.328 8.685 -7.754 1.00 0.00 C ATOM 499 CG2 VAL A 56 -0.663 10.179 -7.914 1.00 0.00 C ATOM 0 H VAL A 56 -1.511 9.558 -4.955 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.194 7.630 -7.142 1.00 0.00 H new ATOM 0 HB VAL A 56 0.577 9.921 -6.190 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.938 9.474 -8.193 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.937 8.093 -7.070 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.942 8.043 -8.546 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.025 10.942 -8.361 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.099 9.564 -8.701 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.459 10.660 -7.345 1.00 0.00 H new ATOM 509 N PRO A 57 0.050 5.983 -5.739 1.00 0.00 N ATOM 510 CA PRO A 57 0.882 5.012 -5.058 1.00 0.00 C ATOM 511 C PRO A 57 2.276 4.997 -5.687 1.00 0.00 C ATOM 512 O PRO A 57 2.417 5.068 -6.910 1.00 0.00 O ATOM 513 CB PRO A 57 0.159 3.690 -5.334 1.00 0.00 C ATOM 514 CG PRO A 57 -0.481 3.885 -6.658 1.00 0.00 C ATOM 515 CD PRO A 57 -0.858 5.337 -6.720 1.00 0.00 C ATOM 0 HA PRO A 57 1.017 5.215 -3.996 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.856 2.852 -5.350 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.581 3.474 -4.563 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.203 3.624 -7.465 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.359 3.248 -6.766 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.719 5.744 -7.722 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.905 5.490 -6.457 1.00 0.00 H new ATOM 523 N VAL A 58 3.296 4.942 -4.884 1.00 0.00 N ATOM 524 CA VAL A 58 4.632 4.916 -5.436 1.00 0.00 C ATOM 525 C VAL A 58 5.303 3.581 -5.204 1.00 0.00 C ATOM 526 O VAL A 58 6.041 3.086 -6.060 1.00 0.00 O ATOM 527 CB VAL A 58 5.522 6.101 -4.963 1.00 0.00 C ATOM 528 CG1 VAL A 58 4.974 7.408 -5.490 1.00 0.00 C ATOM 529 CG2 VAL A 58 5.616 6.160 -3.455 1.00 0.00 C ATOM 0 H VAL A 58 3.241 4.915 -3.866 1.00 0.00 H new ATOM 0 HA VAL A 58 4.514 5.048 -6.512 1.00 0.00 H new ATOM 0 HB VAL A 58 6.524 5.938 -5.359 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.605 8.230 -5.152 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.961 7.384 -6.580 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.960 7.553 -5.118 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.246 7.000 -3.162 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.619 6.289 -3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.051 5.233 -3.081 1.00 0.00 H new ATOM 539 N ASP A 59 4.999 2.963 -4.093 1.00 0.00 N ATOM 540 CA ASP A 59 5.583 1.681 -3.762 1.00 0.00 C ATOM 541 C ASP A 59 4.579 0.861 -3.010 1.00 0.00 C ATOM 542 O ASP A 59 3.766 1.416 -2.255 1.00 0.00 O ATOM 543 CB ASP A 59 6.840 1.860 -2.917 1.00 0.00 C ATOM 544 CG ASP A 59 7.560 0.551 -2.628 1.00 0.00 C ATOM 545 OD1 ASP A 59 7.805 -0.251 -3.570 1.00 0.00 O ATOM 546 OD2 ASP A 59 7.943 0.327 -1.468 1.00 0.00 O ATOM 0 H ASP A 59 4.348 3.325 -3.396 1.00 0.00 H new ATOM 0 HA ASP A 59 5.861 1.172 -4.685 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.522 2.537 -3.431 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.571 2.335 -1.974 1.00 0.00 H new ATOM 551 N VAL A 60 4.611 -0.422 -3.229 1.00 0.00 N ATOM 552 CA VAL A 60 3.722 -1.343 -2.593 1.00 0.00 C ATOM 553 C VAL A 60 4.485 -2.638 -2.303 1.00 0.00 C ATOM 554 O VAL A 60 5.326 -3.072 -3.105 1.00 0.00 O ATOM 555 CB VAL A 60 2.460 -1.616 -3.487 1.00 0.00 C ATOM 556 CG1 VAL A 60 2.819 -2.304 -4.795 1.00 0.00 C ATOM 557 CG2 VAL A 60 1.379 -2.389 -2.737 1.00 0.00 C ATOM 0 H VAL A 60 5.271 -0.864 -3.869 1.00 0.00 H new ATOM 0 HA VAL A 60 3.362 -0.917 -1.657 1.00 0.00 H new ATOM 0 HB VAL A 60 2.048 -0.638 -3.737 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.914 -2.472 -5.378 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.504 -1.674 -5.362 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.297 -3.261 -4.584 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.526 -2.554 -3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.778 -3.350 -2.412 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.059 -1.816 -1.867 1.00 0.00 H new ATOM 567 N ILE A 61 4.307 -3.159 -1.121 1.00 0.00 N ATOM 568 CA ILE A 61 4.872 -4.422 -0.742 1.00 0.00 C ATOM 569 C ILE A 61 3.767 -5.360 -0.348 1.00 0.00 C ATOM 570 O ILE A 61 2.994 -5.067 0.571 1.00 0.00 O ATOM 571 CB ILE A 61 5.885 -4.271 0.422 1.00 0.00 C ATOM 572 CG1 ILE A 61 7.052 -3.403 -0.026 1.00 0.00 C ATOM 573 CG2 ILE A 61 6.387 -5.632 0.914 1.00 0.00 C ATOM 574 CD1 ILE A 61 7.994 -3.037 1.076 1.00 0.00 C ATOM 0 H ILE A 61 3.759 -2.712 -0.386 1.00 0.00 H new ATOM 0 HA ILE A 61 5.415 -4.825 -1.597 1.00 0.00 H new ATOM 0 HB ILE A 61 5.376 -3.791 1.258 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.605 -3.929 -0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.661 -2.490 -0.475 1.00 0.00 H new ATOM 0 HG21 ILE A 61 7.095 -5.485 1.730 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.543 -6.225 1.268 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.880 -6.156 0.095 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.798 -2.418 0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.456 -2.482 1.845 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.415 -3.943 1.511 1.00 0.00 H new ATOM 586 N LEU A 62 3.642 -6.443 -1.051 1.00 0.00 N ATOM 587 CA LEU A 62 2.689 -7.435 -0.670 1.00 0.00 C ATOM 588 C LEU A 62 3.453 -8.471 0.087 1.00 0.00 C ATOM 589 O LEU A 62 4.341 -9.133 -0.482 1.00 0.00 O ATOM 590 CB LEU A 62 2.042 -8.103 -1.881 1.00 0.00 C ATOM 591 CG LEU A 62 0.574 -8.561 -1.733 1.00 0.00 C ATOM 592 CD1 LEU A 62 0.299 -9.362 -0.460 1.00 0.00 C ATOM 593 CD2 LEU A 62 -0.344 -7.385 -1.837 1.00 0.00 C ATOM 0 H LEU A 62 4.185 -6.661 -1.887 1.00 0.00 H new ATOM 0 HA LEU A 62 1.892 -6.975 -0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.097 -7.409 -2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.642 -8.973 -2.148 1.00 0.00 H new ATOM 0 HG LEU A 62 0.381 -9.250 -2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.753 -9.647 -0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.918 -10.259 -0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.535 -8.752 0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.376 -7.719 -1.731 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.111 -6.671 -1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.215 -6.907 -2.808 1.00 0.00 H new ATOM 605 N SER A 63 3.165 -8.600 1.331 1.00 0.00 N ATOM 606 CA SER A 63 3.806 -9.571 2.116 1.00 0.00 C ATOM 607 C SER A 63 3.193 -10.912 1.789 1.00 0.00 C ATOM 608 O SER A 63 1.991 -11.133 1.982 1.00 0.00 O ATOM 609 CB SER A 63 3.632 -9.197 3.561 1.00 0.00 C ATOM 610 OG SER A 63 4.162 -7.891 3.771 1.00 0.00 O ATOM 0 H SER A 63 2.478 -8.032 1.827 1.00 0.00 H new ATOM 0 HA SER A 63 4.875 -9.629 1.913 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.576 -9.223 3.832 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.143 -9.917 4.200 1.00 0.00 H new ATOM 0 HG SER A 63 3.965 -7.601 4.686 1.00 0.00 H new ATOM 616 N ARG A 64 3.999 -11.775 1.259 1.00 0.00 N ATOM 617 CA ARG A 64 3.579 -13.066 0.820 1.00 0.00 C ATOM 618 C ARG A 64 4.476 -14.094 1.421 1.00 0.00 C ATOM 619 O ARG A 64 5.677 -13.886 1.535 1.00 0.00 O ATOM 620 CB ARG A 64 3.585 -13.127 -0.715 1.00 0.00 C ATOM 621 CG ARG A 64 2.484 -12.285 -1.343 1.00 0.00 C ATOM 622 CD ARG A 64 2.665 -12.073 -2.831 1.00 0.00 C ATOM 623 NE ARG A 64 3.782 -11.156 -3.127 1.00 0.00 N ATOM 624 CZ ARG A 64 3.828 -10.315 -4.174 1.00 0.00 C ATOM 625 NH1 ARG A 64 2.868 -10.338 -5.094 1.00 0.00 N ATOM 626 NH2 ARG A 64 4.852 -9.482 -4.317 1.00 0.00 N ATOM 0 H ARG A 64 4.993 -11.596 1.116 1.00 0.00 H new ATOM 0 HA ARG A 64 2.558 -13.265 1.147 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.552 -12.786 -1.084 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.470 -14.163 -1.033 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.522 -12.767 -1.166 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.450 -11.315 -0.847 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.846 -13.033 -3.314 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.744 -11.672 -3.255 1.00 0.00 H new ATOM 0 HE ARG A 64 4.578 -11.161 -2.490 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.093 -10.996 -5.006 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.906 -9.698 -5.887 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.607 -9.479 -3.631 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.884 -8.845 -5.113 1.00 0.00 H new ATOM 728 N GLN A 72 0.239 -12.893 3.069 1.00 0.00 N ATOM 729 CA GLN A 72 0.338 -13.129 4.510 1.00 0.00 C ATOM 730 C GLN A 72 -0.774 -12.443 5.283 1.00 0.00 C ATOM 731 O GLN A 72 -0.735 -12.372 6.509 1.00 0.00 O ATOM 732 CB GLN A 72 1.681 -12.656 5.037 1.00 0.00 C ATOM 733 CG GLN A 72 2.839 -13.370 4.406 1.00 0.00 C ATOM 734 CD GLN A 72 4.122 -13.149 5.137 1.00 0.00 C ATOM 735 OE1 GLN A 72 4.862 -12.198 4.878 1.00 0.00 O ATOM 736 NE2 GLN A 72 4.411 -14.029 6.033 1.00 0.00 N ATOM 0 HA GLN A 72 0.240 -14.204 4.659 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.779 -11.585 4.858 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.714 -12.803 6.117 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.626 -14.438 4.370 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.950 -13.033 3.376 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.769 -14.801 6.216 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.281 -13.954 6.560 1.00 0.00 H new ATOM 745 N GLY A 73 -1.756 -11.948 4.574 1.00 0.00 N ATOM 746 CA GLY A 73 -2.867 -11.284 5.209 1.00 0.00 C ATOM 747 C GLY A 73 -2.612 -9.831 5.501 1.00 0.00 C ATOM 748 O GLY A 73 -3.426 -9.178 6.151 1.00 0.00 O ATOM 0 H GLY A 73 -1.810 -11.992 3.556 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.745 -11.369 4.568 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.102 -11.798 6.141 1.00 0.00 H new ATOM 752 N PHE A 74 -1.521 -9.298 4.998 1.00 0.00 N ATOM 753 CA PHE A 74 -1.213 -7.911 5.208 1.00 0.00 C ATOM 754 C PHE A 74 -0.322 -7.423 4.087 1.00 0.00 C ATOM 755 O PHE A 74 0.328 -8.238 3.406 1.00 0.00 O ATOM 756 CB PHE A 74 -0.561 -7.663 6.593 1.00 0.00 C ATOM 757 CG PHE A 74 0.841 -8.184 6.759 1.00 0.00 C ATOM 758 CD1 PHE A 74 1.084 -9.509 7.079 1.00 0.00 C ATOM 759 CD2 PHE A 74 1.916 -7.332 6.592 1.00 0.00 C ATOM 760 CE1 PHE A 74 2.377 -9.972 7.226 1.00 0.00 C ATOM 761 CE2 PHE A 74 3.206 -7.787 6.736 1.00 0.00 C ATOM 762 CZ PHE A 74 3.440 -9.109 7.052 1.00 0.00 C ATOM 0 H PHE A 74 -0.835 -9.808 4.441 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.144 -7.345 5.201 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.555 -6.590 6.784 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.191 -8.119 7.357 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.254 -10.187 7.215 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.741 -6.295 6.345 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.556 -11.007 7.477 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.036 -7.109 6.602 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.453 -9.468 7.163 1.00 0.00 H new ATOM 772 N ALA A 75 -0.315 -6.129 3.871 1.00 0.00 N ATOM 773 CA ALA A 75 0.495 -5.514 2.857 1.00 0.00 C ATOM 774 C ALA A 75 0.820 -4.073 3.240 1.00 0.00 C ATOM 775 O ALA A 75 0.343 -3.563 4.269 1.00 0.00 O ATOM 776 CB ALA A 75 -0.220 -5.558 1.523 1.00 0.00 C ATOM 0 H ALA A 75 -0.881 -5.468 4.404 1.00 0.00 H new ATOM 0 HA ALA A 75 1.430 -6.067 2.771 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.403 -5.089 0.761 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.412 -6.595 1.247 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.166 -5.022 1.599 1.00 0.00 H new ATOM 782 N TYR A 76 1.618 -3.439 2.424 1.00 0.00 N ATOM 783 CA TYR A 76 2.046 -2.071 2.613 1.00 0.00 C ATOM 784 C TYR A 76 1.992 -1.327 1.292 1.00 0.00 C ATOM 785 O TYR A 76 2.251 -1.914 0.253 1.00 0.00 O ATOM 786 CB TYR A 76 3.487 -2.075 3.161 1.00 0.00 C ATOM 787 CG TYR A 76 4.313 -0.869 2.786 1.00 0.00 C ATOM 788 CD1 TYR A 76 4.107 0.370 3.358 1.00 0.00 C ATOM 789 CD2 TYR A 76 5.303 -0.989 1.836 1.00 0.00 C ATOM 790 CE1 TYR A 76 4.875 1.440 2.981 1.00 0.00 C ATOM 791 CE2 TYR A 76 6.072 0.061 1.464 1.00 0.00 C ATOM 792 CZ TYR A 76 5.864 1.267 2.028 1.00 0.00 C ATOM 793 OH TYR A 76 6.648 2.304 1.656 1.00 0.00 O ATOM 0 H TYR A 76 2.002 -3.869 1.583 1.00 0.00 H new ATOM 0 HA TYR A 76 1.386 -1.569 3.320 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.447 -2.146 4.248 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.994 -2.970 2.802 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.338 0.496 4.105 1.00 0.00 H new ATOM 0 HD2 TYR A 76 5.471 -1.950 1.374 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.710 2.411 3.424 1.00 0.00 H new ATOM 0 HE2 TYR A 76 6.846 -0.067 0.721 1.00 0.00 H new ATOM 0 HH TYR A 76 6.880 2.838 2.444 1.00 0.00 H new ATOM 803 N LEU A 77 1.674 -0.047 1.342 1.00 0.00 N ATOM 804 CA LEU A 77 1.685 0.801 0.183 1.00 0.00 C ATOM 805 C LEU A 77 1.959 2.214 0.655 1.00 0.00 C ATOM 806 O LEU A 77 1.518 2.599 1.731 1.00 0.00 O ATOM 807 CB LEU A 77 0.361 0.686 -0.638 1.00 0.00 C ATOM 808 CG LEU A 77 0.312 1.444 -1.994 1.00 0.00 C ATOM 809 CD1 LEU A 77 -0.675 0.793 -2.936 1.00 0.00 C ATOM 810 CD2 LEU A 77 -0.110 2.880 -1.797 1.00 0.00 C ATOM 0 H LEU A 77 1.399 0.430 2.201 1.00 0.00 H new ATOM 0 HA LEU A 77 2.469 0.488 -0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.171 -0.370 -0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.458 1.048 -0.016 1.00 0.00 H new ATOM 0 HG LEU A 77 1.316 1.407 -2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.693 1.340 -3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.376 -0.239 -3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.669 0.808 -2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.136 3.387 -2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.101 2.909 -1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.602 3.382 -1.142 1.00 0.00 H new ATOM 822 N LYS A 78 2.745 2.942 -0.084 1.00 0.00 N ATOM 823 CA LYS A 78 3.039 4.304 0.262 1.00 0.00 C ATOM 824 C LYS A 78 2.655 5.197 -0.887 1.00 0.00 C ATOM 825 O LYS A 78 2.783 4.816 -2.078 1.00 0.00 O ATOM 826 CB LYS A 78 4.510 4.547 0.642 1.00 0.00 C ATOM 827 CG LYS A 78 5.474 4.407 -0.501 1.00 0.00 C ATOM 828 CD LYS A 78 6.815 5.063 -0.207 1.00 0.00 C ATOM 829 CE LYS A 78 6.709 6.584 -0.115 1.00 0.00 C ATOM 830 NZ LYS A 78 8.036 7.211 0.012 1.00 0.00 N ATOM 0 H LYS A 78 3.197 2.613 -0.937 1.00 0.00 H new ATOM 0 HA LYS A 78 2.455 4.536 1.153 1.00 0.00 H new ATOM 0 HB2 LYS A 78 4.604 5.549 1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 78 4.791 3.845 1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 78 5.628 3.350 -0.716 1.00 0.00 H new ATOM 0 HG3 LYS A 78 5.041 4.854 -1.396 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.211 4.671 0.730 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.526 4.797 -0.989 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.207 6.969 -1.003 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.093 6.856 0.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.932 8.246 0.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.483 6.900 0.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.631 6.930 -0.793 1.00 0.00 H new ATOM 844 N TYR A 79 2.183 6.341 -0.555 1.00 0.00 N ATOM 845 CA TYR A 79 1.740 7.296 -1.519 1.00 0.00 C ATOM 846 C TYR A 79 2.746 8.377 -1.714 1.00 0.00 C ATOM 847 O TYR A 79 3.684 8.528 -0.930 1.00 0.00 O ATOM 848 CB TYR A 79 0.425 7.919 -1.103 1.00 0.00 C ATOM 849 CG TYR A 79 -0.725 6.981 -1.145 1.00 0.00 C ATOM 850 CD1 TYR A 79 -0.943 6.078 -0.128 1.00 0.00 C ATOM 851 CD2 TYR A 79 -1.603 7.002 -2.209 1.00 0.00 C ATOM 852 CE1 TYR A 79 -1.999 5.225 -0.167 1.00 0.00 C ATOM 853 CE2 TYR A 79 -2.669 6.156 -2.255 1.00 0.00 C ATOM 854 CZ TYR A 79 -2.863 5.270 -1.236 1.00 0.00 C ATOM 855 OH TYR A 79 -3.917 4.439 -1.279 1.00 0.00 O ATOM 0 H TYR A 79 2.089 6.653 0.412 1.00 0.00 H new ATOM 0 HA TYR A 79 1.606 6.759 -2.458 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.524 8.312 -0.091 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.214 8.767 -1.755 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -0.265 6.048 0.712 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.442 7.700 -3.017 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -2.159 4.518 0.634 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.354 6.186 -3.090 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.727 3.642 -0.741 1.00 0.00 H new ATOM 865 N GLU A 80 2.560 9.099 -2.779 1.00 0.00 N ATOM 866 CA GLU A 80 3.366 10.244 -3.085 1.00 0.00 C ATOM 867 C GLU A 80 2.876 11.428 -2.234 1.00 0.00 C ATOM 868 O GLU A 80 3.647 12.329 -1.877 1.00 0.00 O ATOM 869 CB GLU A 80 3.220 10.573 -4.575 1.00 0.00 C ATOM 870 CG GLU A 80 4.174 11.634 -5.084 1.00 0.00 C ATOM 871 CD GLU A 80 3.882 12.036 -6.505 1.00 0.00 C ATOM 872 OE1 GLU A 80 4.364 11.372 -7.449 1.00 0.00 O ATOM 873 OE2 GLU A 80 3.179 13.049 -6.705 1.00 0.00 O ATOM 0 H GLU A 80 1.834 8.907 -3.469 1.00 0.00 H new ATOM 0 HA GLU A 80 4.415 10.045 -2.864 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.372 9.660 -5.151 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.198 10.902 -4.762 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.113 12.512 -4.441 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.196 11.261 -5.018 1.00 0.00 H new ATOM 880 N ASP A 81 1.600 11.383 -1.865 1.00 0.00 N ATOM 881 CA ASP A 81 0.961 12.464 -1.151 1.00 0.00 C ATOM 882 C ASP A 81 0.387 11.931 0.162 1.00 0.00 C ATOM 883 O ASP A 81 -0.263 10.880 0.174 1.00 0.00 O ATOM 884 CB ASP A 81 -0.169 13.035 -2.023 1.00 0.00 C ATOM 885 CG ASP A 81 -0.766 14.296 -1.471 1.00 0.00 C ATOM 886 OD1 ASP A 81 -1.577 14.237 -0.549 1.00 0.00 O ATOM 887 OD2 ASP A 81 -0.396 15.394 -1.941 1.00 0.00 O ATOM 0 H ASP A 81 0.986 10.592 -2.057 1.00 0.00 H new ATOM 0 HA ASP A 81 1.684 13.249 -0.932 1.00 0.00 H new ATOM 0 HB2 ASP A 81 0.217 13.232 -3.023 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -0.953 12.285 -2.126 1.00 0.00 H new ATOM 892 N GLN A 82 0.644 12.626 1.259 1.00 0.00 N ATOM 893 CA GLN A 82 0.141 12.222 2.575 1.00 0.00 C ATOM 894 C GLN A 82 -1.396 12.251 2.677 1.00 0.00 C ATOM 895 O GLN A 82 -1.978 11.456 3.397 1.00 0.00 O ATOM 896 CB GLN A 82 0.740 13.058 3.704 1.00 0.00 C ATOM 897 CG GLN A 82 2.114 12.655 4.219 1.00 0.00 C ATOM 898 CD GLN A 82 3.247 12.782 3.234 1.00 0.00 C ATOM 899 OE1 GLN A 82 3.211 13.584 2.302 1.00 0.00 O ATOM 900 NE2 GLN A 82 4.301 12.045 3.494 1.00 0.00 N ATOM 0 H GLN A 82 1.202 13.480 1.270 1.00 0.00 H new ATOM 0 HA GLN A 82 0.463 11.187 2.689 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.797 14.092 3.364 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.046 13.037 4.544 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.347 13.264 5.092 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.065 11.620 4.556 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.286 11.393 4.278 1.00 0.00 H new ATOM 0 HE22 GLN A 82 5.135 12.125 2.912 1.00 0.00 H new ATOM 909 N ARG A 83 -2.041 13.130 1.945 1.00 0.00 N ATOM 910 CA ARG A 83 -3.512 13.257 1.975 1.00 0.00 C ATOM 911 C ARG A 83 -4.160 12.026 1.372 1.00 0.00 C ATOM 912 O ARG A 83 -5.250 11.616 1.738 1.00 0.00 O ATOM 913 CB ARG A 83 -4.027 14.553 1.331 1.00 0.00 C ATOM 914 CG ARG A 83 -3.862 15.832 2.172 1.00 0.00 C ATOM 915 CD ARG A 83 -2.414 16.125 2.556 1.00 0.00 C ATOM 916 NE ARG A 83 -1.524 16.167 1.392 1.00 0.00 N ATOM 917 CZ ARG A 83 -0.274 16.639 1.394 1.00 0.00 C ATOM 918 NH1 ARG A 83 0.255 17.186 2.483 1.00 0.00 N ATOM 919 NH2 ARG A 83 0.441 16.564 0.300 1.00 0.00 N ATOM 0 H ARG A 83 -1.580 13.782 1.310 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.804 13.325 3.023 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.509 14.695 0.382 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.085 14.426 1.101 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.260 16.679 1.613 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.459 15.740 3.079 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.366 17.079 3.081 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.064 15.361 3.250 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.888 15.807 0.510 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.295 17.252 3.339 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.211 17.540 2.463 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.043 16.149 -0.542 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.396 16.921 0.290 1.00 0.00 H new ATOM 933 N SER A 84 -3.503 11.482 0.420 1.00 0.00 N ATOM 934 CA SER A 84 -3.908 10.258 -0.208 1.00 0.00 C ATOM 935 C SER A 84 -4.020 9.107 0.817 1.00 0.00 C ATOM 936 O SER A 84 -4.904 8.253 0.704 1.00 0.00 O ATOM 937 CB SER A 84 -2.951 9.924 -1.324 1.00 0.00 C ATOM 938 OG SER A 84 -2.931 10.959 -2.284 1.00 0.00 O ATOM 0 H SER A 84 -2.644 11.876 0.037 1.00 0.00 H new ATOM 0 HA SER A 84 -4.903 10.391 -0.633 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.950 9.775 -0.920 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.247 8.987 -1.796 1.00 0.00 H new ATOM 0 HG SER A 84 -2.236 10.774 -2.950 1.00 0.00 H new ATOM 944 N THR A 85 -3.121 9.080 1.814 1.00 0.00 N ATOM 945 CA THR A 85 -3.149 8.009 2.801 1.00 0.00 C ATOM 946 C THR A 85 -4.449 8.048 3.614 1.00 0.00 C ATOM 947 O THR A 85 -5.101 7.037 3.767 1.00 0.00 O ATOM 948 CB THR A 85 -1.925 8.042 3.761 1.00 0.00 C ATOM 949 OG1 THR A 85 -1.975 9.186 4.623 1.00 0.00 O ATOM 950 CG2 THR A 85 -0.649 8.099 2.975 1.00 0.00 C ATOM 0 H THR A 85 -2.385 9.773 1.950 1.00 0.00 H new ATOM 0 HA THR A 85 -3.099 7.076 2.240 1.00 0.00 H new ATOM 0 HB THR A 85 -1.958 7.134 4.363 1.00 0.00 H new ATOM 0 HG1 THR A 85 -2.319 9.957 4.124 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.199 8.122 3.659 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.576 7.219 2.336 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.642 8.998 2.358 1.00 0.00 H new ATOM 958 N ILE A 86 -4.851 9.241 4.062 1.00 0.00 N ATOM 959 CA ILE A 86 -6.088 9.416 4.825 1.00 0.00 C ATOM 960 C ILE A 86 -7.292 9.085 3.977 1.00 0.00 C ATOM 961 O ILE A 86 -8.240 8.461 4.460 1.00 0.00 O ATOM 962 CB ILE A 86 -6.209 10.818 5.504 1.00 0.00 C ATOM 963 CG1 ILE A 86 -5.957 11.931 4.497 1.00 0.00 C ATOM 964 CG2 ILE A 86 -5.265 10.923 6.678 1.00 0.00 C ATOM 965 CD1 ILE A 86 -5.721 13.296 5.078 1.00 0.00 C ATOM 0 H ILE A 86 -4.332 10.105 3.907 1.00 0.00 H new ATOM 0 HA ILE A 86 -6.050 8.705 5.650 1.00 0.00 H new ATOM 0 HB ILE A 86 -7.227 10.931 5.878 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.092 11.659 3.892 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.812 11.986 3.823 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.364 11.906 7.138 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.509 10.154 7.411 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.240 10.785 6.334 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.553 14.010 4.272 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.593 13.601 5.657 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.846 13.269 5.727 1.00 0.00 H new ATOM 977 N LEU A 87 -7.233 9.471 2.696 1.00 0.00 N ATOM 978 CA LEU A 87 -8.290 9.133 1.746 1.00 0.00 C ATOM 979 C LEU A 87 -8.453 7.636 1.643 1.00 0.00 C ATOM 980 O LEU A 87 -9.575 7.121 1.647 1.00 0.00 O ATOM 981 CB LEU A 87 -7.938 9.660 0.353 1.00 0.00 C ATOM 982 CG LEU A 87 -8.318 11.088 0.035 1.00 0.00 C ATOM 983 CD1 LEU A 87 -7.650 11.518 -1.264 1.00 0.00 C ATOM 984 CD2 LEU A 87 -9.822 11.159 -0.127 1.00 0.00 C ATOM 0 H LEU A 87 -6.467 10.015 2.299 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.214 9.587 2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.861 9.559 0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.415 9.012 -0.383 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.993 11.748 0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.925 12.548 -1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.568 11.447 -1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.978 10.867 -2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.115 12.183 -0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -10.132 10.502 -0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.303 10.843 0.799 1.00 0.00 H new ATOM 996 N ALA A 88 -7.343 6.943 1.559 1.00 0.00 N ATOM 997 CA ALA A 88 -7.368 5.511 1.468 1.00 0.00 C ATOM 998 C ALA A 88 -7.742 4.839 2.781 1.00 0.00 C ATOM 999 O ALA A 88 -8.629 4.015 2.807 1.00 0.00 O ATOM 1000 CB ALA A 88 -6.069 4.981 0.889 1.00 0.00 C ATOM 0 H ALA A 88 -6.409 7.354 1.552 1.00 0.00 H new ATOM 0 HA ALA A 88 -8.167 5.248 0.775 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.114 3.893 0.831 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.921 5.392 -0.110 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -5.238 5.276 1.530 1.00 0.00 H new ATOM 1006 N VAL A 89 -7.122 5.250 3.870 1.00 0.00 N ATOM 1007 CA VAL A 89 -7.346 4.620 5.173 1.00 0.00 C ATOM 1008 C VAL A 89 -8.801 4.693 5.601 1.00 0.00 C ATOM 1009 O VAL A 89 -9.406 3.684 5.904 1.00 0.00 O ATOM 1010 CB VAL A 89 -6.445 5.236 6.293 1.00 0.00 C ATOM 1011 CG1 VAL A 89 -6.812 4.685 7.664 1.00 0.00 C ATOM 1012 CG2 VAL A 89 -4.986 4.955 6.020 1.00 0.00 C ATOM 0 H VAL A 89 -6.454 6.021 3.886 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.071 3.573 5.043 1.00 0.00 H new ATOM 0 HB VAL A 89 -6.615 6.313 6.289 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.168 5.133 8.421 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.852 4.924 7.886 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -6.679 3.603 7.669 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.377 5.392 6.811 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.822 3.878 5.990 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.704 5.392 5.062 1.00 0.00 H new ATOM 1022 N ASP A 90 -9.366 5.854 5.515 1.00 0.00 N ATOM 1023 CA ASP A 90 -10.703 6.101 6.051 1.00 0.00 C ATOM 1024 C ASP A 90 -11.785 5.459 5.195 1.00 0.00 C ATOM 1025 O ASP A 90 -12.866 5.101 5.681 1.00 0.00 O ATOM 1026 CB ASP A 90 -10.948 7.602 6.203 1.00 0.00 C ATOM 1027 CG ASP A 90 -12.210 7.913 6.970 1.00 0.00 C ATOM 1028 OD1 ASP A 90 -12.188 7.834 8.222 1.00 0.00 O ATOM 1029 OD2 ASP A 90 -13.229 8.277 6.356 1.00 0.00 O ATOM 0 H ASP A 90 -8.932 6.666 5.077 1.00 0.00 H new ATOM 0 HA ASP A 90 -10.755 5.637 7.036 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.097 8.055 6.713 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -11.007 8.058 5.215 1.00 0.00 H new ATOM 1034 N ASN A 91 -11.489 5.301 3.936 1.00 0.00 N ATOM 1035 CA ASN A 91 -12.443 4.755 2.992 1.00 0.00 C ATOM 1036 C ASN A 91 -12.317 3.230 2.866 1.00 0.00 C ATOM 1037 O ASN A 91 -13.312 2.532 2.669 1.00 0.00 O ATOM 1038 CB ASN A 91 -12.254 5.426 1.633 1.00 0.00 C ATOM 1039 CG ASN A 91 -13.296 5.038 0.605 1.00 0.00 C ATOM 1040 OD1 ASN A 91 -13.029 4.019 -0.142 1.00 0.00 O flip ATOM 1041 ND2 ASN A 91 -14.339 5.683 0.479 1.00 0.00 N flip ATOM 0 H ASN A 91 -10.586 5.544 3.529 1.00 0.00 H new ATOM 0 HA ASN A 91 -13.447 4.961 3.364 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -12.276 6.508 1.767 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.266 5.172 1.248 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -14.520 6.483 1.085 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -15.021 5.416 -0.231 1.00 0.00 H new ATOM 1048 N LEU A 92 -11.117 2.725 3.035 1.00 0.00 N ATOM 1049 CA LEU A 92 -10.826 1.306 2.834 1.00 0.00 C ATOM 1050 C LEU A 92 -10.971 0.527 4.109 1.00 0.00 C ATOM 1051 O LEU A 92 -11.287 -0.656 4.087 1.00 0.00 O ATOM 1052 CB LEU A 92 -9.417 1.140 2.292 1.00 0.00 C ATOM 1053 CG LEU A 92 -9.230 1.303 0.798 1.00 0.00 C ATOM 1054 CD1 LEU A 92 -7.804 1.722 0.508 1.00 0.00 C ATOM 1055 CD2 LEU A 92 -9.505 -0.025 0.119 1.00 0.00 C ATOM 0 H LEU A 92 -10.308 3.279 3.316 1.00 0.00 H new ATOM 0 HA LEU A 92 -11.547 0.916 2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.774 1.862 2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -9.061 0.148 2.571 1.00 0.00 H new ATOM 0 HG LEU A 92 -9.916 2.064 0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -7.671 1.839 -0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -7.595 2.669 1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -7.118 0.960 0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.373 0.083 -0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.812 -0.777 0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.528 -0.336 0.330 1.00 0.00 H new ATOM 1067 N ASN A 93 -10.723 1.180 5.228 1.00 0.00 N ATOM 1068 CA ASN A 93 -10.849 0.526 6.516 1.00 0.00 C ATOM 1069 C ASN A 93 -12.316 0.172 6.729 1.00 0.00 C ATOM 1070 O ASN A 93 -13.197 1.044 6.652 1.00 0.00 O ATOM 1071 CB ASN A 93 -10.386 1.494 7.612 1.00 0.00 C ATOM 1072 CG ASN A 93 -10.362 0.921 9.039 1.00 0.00 C ATOM 1073 OD1 ASN A 93 -11.089 -0.005 9.381 1.00 0.00 O ATOM 1074 ND2 ASN A 93 -9.527 1.483 9.878 1.00 0.00 N ATOM 0 H ASN A 93 -10.435 2.157 5.272 1.00 0.00 H new ATOM 0 HA ASN A 93 -10.239 -0.377 6.552 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -9.384 1.843 7.363 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -11.040 2.366 7.601 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -9.471 1.151 10.841 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -8.933 2.252 9.568 1.00 0.00 H new ATOM 1081 N GLY A 94 -12.575 -1.081 6.983 1.00 0.00 N ATOM 1082 CA GLY A 94 -13.917 -1.531 7.218 1.00 0.00 C ATOM 1083 C GLY A 94 -14.643 -1.887 5.938 1.00 0.00 C ATOM 1084 O GLY A 94 -15.768 -2.406 5.980 1.00 0.00 O ATOM 0 H GLY A 94 -11.867 -1.813 7.033 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.895 -2.402 7.873 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.471 -0.752 7.741 1.00 0.00 H new ATOM 1088 N PHE A 95 -14.009 -1.635 4.808 1.00 0.00 N ATOM 1089 CA PHE A 95 -14.615 -1.909 3.531 1.00 0.00 C ATOM 1090 C PHE A 95 -14.347 -3.356 3.175 1.00 0.00 C ATOM 1091 O PHE A 95 -13.254 -3.864 3.413 1.00 0.00 O ATOM 1092 CB PHE A 95 -14.062 -0.961 2.451 1.00 0.00 C ATOM 1093 CG PHE A 95 -14.774 -1.062 1.133 1.00 0.00 C ATOM 1094 CD1 PHE A 95 -15.967 -0.406 0.937 1.00 0.00 C ATOM 1095 CD2 PHE A 95 -14.263 -1.825 0.104 1.00 0.00 C ATOM 1096 CE1 PHE A 95 -16.637 -0.504 -0.257 1.00 0.00 C ATOM 1097 CE2 PHE A 95 -14.932 -1.930 -1.096 1.00 0.00 C ATOM 1098 CZ PHE A 95 -16.123 -1.267 -1.277 1.00 0.00 C ATOM 0 H PHE A 95 -13.070 -1.239 4.755 1.00 0.00 H new ATOM 0 HA PHE A 95 -15.690 -1.741 3.587 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -14.130 0.065 2.812 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -13.004 -1.176 2.299 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -16.382 0.194 1.733 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -13.327 -2.347 0.240 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -17.571 0.020 -0.395 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -14.522 -2.532 -1.893 1.00 0.00 H new ATOM 0 HZ PHE A 95 -16.651 -1.346 -2.216 1.00 0.00 H new ATOM 1108 N LYS A 96 -15.326 -4.020 2.636 1.00 0.00 N ATOM 1109 CA LYS A 96 -15.199 -5.417 2.332 1.00 0.00 C ATOM 1110 C LYS A 96 -14.768 -5.641 0.889 1.00 0.00 C ATOM 1111 O LYS A 96 -15.443 -5.212 -0.051 1.00 0.00 O ATOM 1112 CB LYS A 96 -16.502 -6.209 2.648 1.00 0.00 C ATOM 1113 CG LYS A 96 -16.873 -6.342 4.148 1.00 0.00 C ATOM 1114 CD LYS A 96 -17.288 -5.018 4.803 1.00 0.00 C ATOM 1115 CE LYS A 96 -17.564 -5.200 6.295 1.00 0.00 C ATOM 1116 NZ LYS A 96 -17.944 -3.931 6.973 1.00 0.00 N ATOM 0 H LYS A 96 -16.230 -3.613 2.395 1.00 0.00 H new ATOM 0 HA LYS A 96 -14.415 -5.805 2.983 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -17.331 -5.726 2.131 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -16.405 -7.210 2.228 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -17.689 -7.058 4.249 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -16.020 -6.752 4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -16.500 -4.278 4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -18.180 -4.630 4.311 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -18.364 -5.929 6.425 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -16.677 -5.611 6.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -17.937 -4.072 8.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -17.264 -3.186 6.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -18.897 -3.647 6.669 1.00 0.00 H new ATOM 1130 N ILE A 97 -13.629 -6.267 0.726 1.00 0.00 N ATOM 1131 CA ILE A 97 -13.135 -6.668 -0.570 1.00 0.00 C ATOM 1132 C ILE A 97 -12.846 -8.154 -0.470 1.00 0.00 C ATOM 1133 O ILE A 97 -12.359 -8.616 0.566 1.00 0.00 O ATOM 1134 CB ILE A 97 -11.811 -5.900 -0.946 1.00 0.00 C ATOM 1135 CG1 ILE A 97 -12.068 -4.386 -1.023 1.00 0.00 C ATOM 1136 CG2 ILE A 97 -11.209 -6.408 -2.259 1.00 0.00 C ATOM 1137 CD1 ILE A 97 -10.870 -3.557 -1.434 1.00 0.00 C ATOM 0 H ILE A 97 -13.011 -6.516 1.498 1.00 0.00 H new ATOM 0 HA ILE A 97 -13.869 -6.439 -1.343 1.00 0.00 H new ATOM 0 HB ILE A 97 -11.086 -6.096 -0.156 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -12.877 -4.205 -1.731 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -12.414 -4.041 -0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -10.298 -5.852 -2.481 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -10.973 -7.468 -2.165 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -11.927 -6.266 -3.067 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -11.148 -2.503 -1.460 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -10.064 -3.702 -0.715 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -10.534 -3.868 -2.423 1.00 0.00 H new ATOM 1149 N GLY A 98 -13.140 -8.898 -1.519 1.00 0.00 N ATOM 1150 CA GLY A 98 -12.914 -10.336 -1.520 1.00 0.00 C ATOM 1151 C GLY A 98 -13.674 -11.069 -0.416 1.00 0.00 C ATOM 1152 O GLY A 98 -13.292 -12.171 -0.016 1.00 0.00 O ATOM 0 H GLY A 98 -13.537 -8.532 -2.385 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -13.211 -10.742 -2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.847 -10.529 -1.407 1.00 0.00 H new ATOM 1156 N GLY A 99 -14.720 -10.445 0.087 1.00 0.00 N ATOM 1157 CA GLY A 99 -15.503 -11.031 1.137 1.00 0.00 C ATOM 1158 C GLY A 99 -14.941 -10.767 2.528 1.00 0.00 C ATOM 1159 O GLY A 99 -15.436 -11.319 3.508 1.00 0.00 O ATOM 0 H GLY A 99 -15.042 -9.528 -0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.519 -10.641 1.084 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.566 -12.107 0.976 1.00 0.00 H new ATOM 1163 N ARG A 100 -13.914 -9.940 2.631 1.00 0.00 N ATOM 1164 CA ARG A 100 -13.338 -9.638 3.927 1.00 0.00 C ATOM 1165 C ARG A 100 -13.142 -8.140 4.120 1.00 0.00 C ATOM 1166 O ARG A 100 -12.898 -7.411 3.162 1.00 0.00 O ATOM 1167 CB ARG A 100 -12.037 -10.414 4.152 1.00 0.00 C ATOM 1168 CG ARG A 100 -10.944 -10.149 3.138 1.00 0.00 C ATOM 1169 CD ARG A 100 -9.756 -11.048 3.390 1.00 0.00 C ATOM 1170 NE ARG A 100 -10.099 -12.468 3.214 1.00 0.00 N ATOM 1171 CZ ARG A 100 -9.316 -13.511 3.515 1.00 0.00 C ATOM 1172 NH1 ARG A 100 -8.148 -13.336 4.122 1.00 0.00 N ATOM 1173 NH2 ARG A 100 -9.715 -14.732 3.214 1.00 0.00 N ATOM 0 H ARG A 100 -13.468 -9.472 1.842 1.00 0.00 H new ATOM 0 HA ARG A 100 -14.049 -9.966 4.685 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -11.656 -10.173 5.144 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -12.263 -11.480 4.148 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -11.326 -10.316 2.131 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -10.635 -9.105 3.193 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.948 -10.782 2.709 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -9.386 -10.886 4.402 1.00 0.00 H new ATOM 0 HE ARG A 100 -11.019 -12.677 2.827 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.836 -12.396 4.366 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -7.563 -14.141 4.344 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -10.615 -14.876 2.755 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.124 -15.532 3.440 1.00 0.00 H new ATOM 1187 N ALA A 101 -13.289 -7.693 5.342 1.00 0.00 N ATOM 1188 CA ALA A 101 -13.155 -6.284 5.676 1.00 0.00 C ATOM 1189 C ALA A 101 -11.702 -5.877 5.802 1.00 0.00 C ATOM 1190 O ALA A 101 -10.984 -6.394 6.656 1.00 0.00 O ATOM 1191 CB ALA A 101 -13.887 -5.984 6.969 1.00 0.00 C ATOM 0 H ALA A 101 -13.505 -8.291 6.139 1.00 0.00 H new ATOM 0 HA ALA A 101 -13.597 -5.707 4.864 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -13.781 -4.926 7.210 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -14.944 -6.225 6.853 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -13.464 -6.584 7.774 1.00 0.00 H new ATOM 1197 N LEU A 102 -11.277 -4.968 4.961 1.00 0.00 N ATOM 1198 CA LEU A 102 -9.920 -4.467 4.989 1.00 0.00 C ATOM 1199 C LEU A 102 -9.647 -3.602 6.183 1.00 0.00 C ATOM 1200 O LEU A 102 -10.510 -2.848 6.648 1.00 0.00 O ATOM 1201 CB LEU A 102 -9.569 -3.698 3.725 1.00 0.00 C ATOM 1202 CG LEU A 102 -8.942 -4.500 2.602 1.00 0.00 C ATOM 1203 CD1 LEU A 102 -8.716 -3.603 1.407 1.00 0.00 C ATOM 1204 CD2 LEU A 102 -7.617 -5.067 3.071 1.00 0.00 C ATOM 0 H LEU A 102 -11.861 -4.552 4.235 1.00 0.00 H new ATOM 0 HA LEU A 102 -9.288 -5.353 5.054 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.478 -3.231 3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.885 -2.893 3.993 1.00 0.00 H new ATOM 0 HG LEU A 102 -9.607 -5.316 2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.265 -4.180 0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -9.670 -3.195 1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.050 -2.787 1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.163 -5.645 2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.951 -4.251 3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.783 -5.714 3.933 1.00 0.00 H new ATOM 1216 N LYS A 103 -8.452 -3.703 6.675 1.00 0.00 N ATOM 1217 CA LYS A 103 -8.031 -2.904 7.770 1.00 0.00 C ATOM 1218 C LYS A 103 -6.881 -2.040 7.336 1.00 0.00 C ATOM 1219 O LYS A 103 -5.851 -2.542 6.956 1.00 0.00 O ATOM 1220 CB LYS A 103 -7.641 -3.769 8.974 1.00 0.00 C ATOM 1221 CG LYS A 103 -7.112 -2.993 10.178 1.00 0.00 C ATOM 1222 CD LYS A 103 -8.148 -2.025 10.723 1.00 0.00 C ATOM 1223 CE LYS A 103 -7.630 -1.296 11.949 1.00 0.00 C ATOM 1224 NZ LYS A 103 -7.311 -2.222 13.054 1.00 0.00 N ATOM 0 H LYS A 103 -7.742 -4.346 6.323 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.860 -2.271 8.085 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -8.512 -4.346 9.286 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.881 -4.484 8.658 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.820 -3.692 10.962 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.216 -2.443 9.891 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.414 -1.301 9.952 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -9.058 -2.568 10.978 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.738 -0.729 11.683 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -8.377 -0.576 12.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.224 -1.687 13.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -8.071 -2.926 13.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -6.413 -2.706 12.853 1.00 0.00 H new ATOM 1238 N ILE A 104 -7.059 -0.755 7.360 1.00 0.00 N ATOM 1239 CA ILE A 104 -5.981 0.116 6.974 1.00 0.00 C ATOM 1240 C ILE A 104 -5.627 0.959 8.174 1.00 0.00 C ATOM 1241 O ILE A 104 -6.524 1.406 8.910 1.00 0.00 O ATOM 1242 CB ILE A 104 -6.350 1.071 5.819 1.00 0.00 C ATOM 1243 CG1 ILE A 104 -7.266 0.404 4.783 1.00 0.00 C ATOM 1244 CG2 ILE A 104 -5.070 1.538 5.129 1.00 0.00 C ATOM 1245 CD1 ILE A 104 -6.676 -0.779 4.055 1.00 0.00 C ATOM 0 H ILE A 104 -7.922 -0.288 7.637 1.00 0.00 H new ATOM 0 HA ILE A 104 -5.157 -0.509 6.629 1.00 0.00 H new ATOM 0 HB ILE A 104 -6.892 1.915 6.246 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.178 0.081 5.286 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -7.557 1.153 4.046 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -5.323 2.213 4.312 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -4.438 2.059 5.848 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.534 0.675 4.734 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -7.407 -1.173 3.348 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -5.782 -0.466 3.516 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -6.413 -1.554 4.774 1.00 0.00 H new ATOM 1257 N ASP A 105 -4.369 1.148 8.399 1.00 0.00 N ATOM 1258 CA ASP A 105 -3.910 1.945 9.511 1.00 0.00 C ATOM 1259 C ASP A 105 -2.684 2.718 9.085 1.00 0.00 C ATOM 1260 O ASP A 105 -1.951 2.275 8.201 1.00 0.00 O ATOM 1261 CB ASP A 105 -3.579 1.033 10.693 1.00 0.00 C ATOM 1262 CG ASP A 105 -3.310 1.782 11.971 1.00 0.00 C ATOM 1263 OD1 ASP A 105 -4.150 2.620 12.362 1.00 0.00 O ATOM 1264 OD2 ASP A 105 -2.268 1.545 12.608 1.00 0.00 O ATOM 0 H ASP A 105 -3.623 0.759 7.823 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.689 2.644 9.818 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -4.408 0.343 10.853 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.706 0.430 10.444 1.00 0.00 H new ATOM 1269 N HIS A 106 -2.475 3.865 9.668 1.00 0.00 N ATOM 1270 CA HIS A 106 -1.307 4.669 9.348 1.00 0.00 C ATOM 1271 C HIS A 106 -0.139 4.165 10.156 1.00 0.00 C ATOM 1272 O HIS A 106 -0.274 3.919 11.359 1.00 0.00 O ATOM 1273 CB HIS A 106 -1.526 6.168 9.645 1.00 0.00 C ATOM 1274 CG HIS A 106 -2.569 6.858 8.803 1.00 0.00 C ATOM 1275 ND1 HIS A 106 -2.288 7.571 7.653 1.00 0.00 N ATOM 1276 CD2 HIS A 106 -3.902 6.989 9.000 1.00 0.00 C ATOM 1277 CE1 HIS A 106 -3.425 8.104 7.209 1.00 0.00 C ATOM 1278 NE2 HIS A 106 -4.443 7.780 7.991 1.00 0.00 N ATOM 0 H HIS A 106 -3.093 4.273 10.369 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.115 4.575 8.279 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -1.804 6.274 10.694 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -0.577 6.688 9.512 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -1.370 7.672 7.220 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -4.459 6.548 9.814 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -3.506 8.720 6.326 1.00 0.00 H new ATOM 1286 N THR A 107 0.983 3.996 9.527 1.00 0.00 N ATOM 1287 CA THR A 107 2.139 3.501 10.194 1.00 0.00 C ATOM 1288 C THR A 107 3.351 4.003 9.428 1.00 0.00 C ATOM 1289 O THR A 107 3.235 4.297 8.240 1.00 0.00 O ATOM 1290 CB THR A 107 2.137 1.917 10.221 1.00 0.00 C ATOM 1291 OG1 THR A 107 3.114 1.425 11.159 1.00 0.00 O ATOM 1292 CG2 THR A 107 2.476 1.350 8.837 1.00 0.00 C ATOM 0 H THR A 107 1.119 4.198 8.537 1.00 0.00 H new ATOM 0 HA THR A 107 2.156 3.849 11.227 1.00 0.00 H new ATOM 0 HB THR A 107 1.139 1.597 10.519 1.00 0.00 H new ATOM 0 HG1 THR A 107 3.098 0.445 11.164 1.00 0.00 H new ATOM 0 HG21 THR A 107 2.469 0.261 8.878 1.00 0.00 H new ATOM 0 HG22 THR A 107 1.736 1.690 8.113 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.465 1.695 8.535 1.00 0.00 H new ATOM 1300 N PHE A 108 4.476 4.160 10.074 1.00 0.00 N ATOM 1301 CA PHE A 108 5.650 4.457 9.316 1.00 0.00 C ATOM 1302 C PHE A 108 6.299 3.131 8.994 1.00 0.00 C ATOM 1303 O PHE A 108 6.730 2.397 9.882 1.00 0.00 O ATOM 1304 CB PHE A 108 6.624 5.434 10.052 1.00 0.00 C ATOM 1305 CG PHE A 108 7.218 4.935 11.353 1.00 0.00 C ATOM 1306 CD1 PHE A 108 6.505 5.008 12.528 1.00 0.00 C ATOM 1307 CD2 PHE A 108 8.497 4.396 11.388 1.00 0.00 C ATOM 1308 CE1 PHE A 108 7.040 4.553 13.715 1.00 0.00 C ATOM 1309 CE2 PHE A 108 9.037 3.941 12.570 1.00 0.00 C ATOM 1310 CZ PHE A 108 8.306 4.018 13.735 1.00 0.00 C ATOM 0 H PHE A 108 4.599 4.090 11.084 1.00 0.00 H new ATOM 0 HA PHE A 108 5.383 4.990 8.404 1.00 0.00 H new ATOM 0 HB2 PHE A 108 7.442 5.678 9.374 1.00 0.00 H new ATOM 0 HB3 PHE A 108 6.090 6.362 10.254 1.00 0.00 H new ATOM 0 HD1 PHE A 108 5.510 5.428 12.520 1.00 0.00 H new ATOM 0 HD2 PHE A 108 9.075 4.333 10.478 1.00 0.00 H new ATOM 0 HE1 PHE A 108 6.465 4.617 14.627 1.00 0.00 H new ATOM 0 HE2 PHE A 108 10.033 3.524 12.584 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.727 3.659 14.662 1.00 0.00 H new ATOM 1320 N TYR A 109 6.294 2.783 7.762 1.00 0.00 N ATOM 1321 CA TYR A 109 6.872 1.540 7.351 1.00 0.00 C ATOM 1322 C TYR A 109 8.170 1.816 6.669 1.00 0.00 C ATOM 1323 O TYR A 109 8.264 2.736 5.880 1.00 0.00 O ATOM 1324 CB TYR A 109 5.907 0.777 6.428 1.00 0.00 C ATOM 1325 CG TYR A 109 6.380 -0.601 5.964 1.00 0.00 C ATOM 1326 CD1 TYR A 109 7.234 -0.737 4.877 1.00 0.00 C ATOM 1327 CD2 TYR A 109 5.954 -1.760 6.599 1.00 0.00 C ATOM 1328 CE1 TYR A 109 7.648 -1.968 4.443 1.00 0.00 C ATOM 1329 CE2 TYR A 109 6.366 -3.005 6.160 1.00 0.00 C ATOM 1330 CZ TYR A 109 7.216 -3.098 5.077 1.00 0.00 C ATOM 1331 OH TYR A 109 7.631 -4.335 4.622 1.00 0.00 O ATOM 0 H TYR A 109 5.895 3.340 7.007 1.00 0.00 H new ATOM 0 HA TYR A 109 7.054 0.910 8.221 1.00 0.00 H new ATOM 0 HB2 TYR A 109 4.956 0.658 6.947 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.715 1.390 5.547 1.00 0.00 H new ATOM 0 HD1 TYR A 109 7.579 0.148 4.363 1.00 0.00 H new ATOM 0 HD2 TYR A 109 5.291 -1.688 7.448 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.317 -2.045 3.599 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.025 -3.899 6.661 1.00 0.00 H new ATOM 0 HH TYR A 109 7.237 -5.038 5.180 1.00 0.00 H new ATOM 1497 N ILE B 226 -7.041 15.379 -4.516 1.00 0.00 N ATOM 1498 CA ILE B 226 -5.906 14.670 -5.073 1.00 0.00 C ATOM 1499 C ILE B 226 -6.367 13.897 -6.291 1.00 0.00 C ATOM 1500 O ILE B 226 -7.409 13.233 -6.258 1.00 0.00 O ATOM 1501 CB ILE B 226 -5.184 13.705 -4.058 1.00 0.00 C ATOM 1502 CG1 ILE B 226 -4.621 14.463 -2.852 1.00 0.00 C ATOM 1503 CG2 ILE B 226 -4.069 12.913 -4.728 1.00 0.00 C ATOM 1504 CD1 ILE B 226 -5.621 14.738 -1.776 1.00 0.00 C ATOM 0 HA ILE B 226 -5.161 15.420 -5.338 1.00 0.00 H new ATOM 0 HB ILE B 226 -5.945 13.008 -3.706 1.00 0.00 H new ATOM 0 HG12 ILE B 226 -3.798 13.888 -2.428 1.00 0.00 H new ATOM 0 HG13 ILE B 226 -4.204 15.410 -3.195 1.00 0.00 H new ATOM 0 HG21 ILE B 226 -3.596 12.259 -3.995 1.00 0.00 H new ATOM 0 HG22 ILE B 226 -4.485 12.311 -5.536 1.00 0.00 H new ATOM 0 HG23 ILE B 226 -3.327 13.601 -5.133 1.00 0.00 H new ATOM 0 HD11 ILE B 226 -5.139 15.277 -0.961 1.00 0.00 H new ATOM 0 HD12 ILE B 226 -6.434 15.342 -2.180 1.00 0.00 H new ATOM 0 HD13 ILE B 226 -6.021 13.796 -1.401 1.00 0.00 H new ATOM 1516 N MET B 227 -5.629 14.019 -7.360 1.00 0.00 N ATOM 1517 CA MET B 227 -5.963 13.360 -8.596 1.00 0.00 C ATOM 1518 C MET B 227 -5.485 11.912 -8.553 1.00 0.00 C ATOM 1519 O MET B 227 -4.358 11.643 -8.115 1.00 0.00 O ATOM 1520 CB MET B 227 -5.350 14.106 -9.784 1.00 0.00 C ATOM 1521 CG MET B 227 -5.842 15.531 -9.923 1.00 0.00 C ATOM 1522 SD MET B 227 -5.051 16.420 -11.276 1.00 0.00 S ATOM 1523 CE MET B 227 -5.819 18.030 -11.097 1.00 0.00 C ATOM 0 H MET B 227 -4.777 14.579 -7.400 1.00 0.00 H new ATOM 0 HA MET B 227 -7.046 13.365 -8.723 1.00 0.00 H new ATOM 0 HB2 MET B 227 -4.265 14.114 -9.677 1.00 0.00 H new ATOM 0 HB3 MET B 227 -5.576 13.561 -10.701 1.00 0.00 H new ATOM 0 HG2 MET B 227 -6.920 15.523 -10.082 1.00 0.00 H new ATOM 0 HG3 MET B 227 -5.661 16.065 -8.990 1.00 0.00 H new ATOM 0 HE1 MET B 227 -5.436 18.703 -11.864 1.00 0.00 H new ATOM 0 HE2 MET B 227 -6.899 17.932 -11.207 1.00 0.00 H new ATOM 0 HE3 MET B 227 -5.590 18.435 -10.111 1.00 0.00 H new ATOM 1533 N PRO B 228 -6.336 10.971 -8.989 1.00 0.00 N ATOM 1534 CA PRO B 228 -6.042 9.529 -8.963 1.00 0.00 C ATOM 1535 C PRO B 228 -4.764 9.125 -9.726 1.00 0.00 C ATOM 1536 O PRO B 228 -4.380 9.755 -10.741 1.00 0.00 O ATOM 1537 CB PRO B 228 -7.281 8.891 -9.611 1.00 0.00 C ATOM 1538 CG PRO B 228 -7.967 10.004 -10.323 1.00 0.00 C ATOM 1539 CD PRO B 228 -7.680 11.234 -9.527 1.00 0.00 C ATOM 0 HA PRO B 228 -5.848 9.198 -7.943 1.00 0.00 H new ATOM 0 HB2 PRO B 228 -6.999 8.097 -10.302 1.00 0.00 H new ATOM 0 HB3 PRO B 228 -7.932 8.444 -8.860 1.00 0.00 H new ATOM 0 HG2 PRO B 228 -7.596 10.103 -11.343 1.00 0.00 H new ATOM 0 HG3 PRO B 228 -9.040 9.823 -10.390 1.00 0.00 H new ATOM 0 HD2 PRO B 228 -7.699 12.130 -10.147 1.00 0.00 H new ATOM 0 HD3 PRO B 228 -8.412 11.381 -8.732 1.00 0.00 H new ATOM 1547 N GLY B 229 -4.130 8.075 -9.227 1.00 0.00 N ATOM 1548 CA GLY B 229 -2.909 7.547 -9.779 1.00 0.00 C ATOM 1549 C GLY B 229 -3.123 6.795 -11.070 1.00 0.00 C ATOM 1550 O GLY B 229 -4.257 6.485 -11.447 1.00 0.00 O ATOM 0 H GLY B 229 -4.463 7.562 -8.411 1.00 0.00 H new ATOM 0 HA2 GLY B 229 -2.211 8.366 -9.953 1.00 0.00 H new ATOM 0 HA3 GLY B 229 -2.445 6.882 -9.050 1.00 0.00 H new ATOM 1554 N SER B 230 -2.041 6.456 -11.709 1.00 0.00 N ATOM 1555 CA SER B 230 -2.058 5.868 -13.031 1.00 0.00 C ATOM 1556 C SER B 230 -2.429 4.371 -13.037 1.00 0.00 C ATOM 1557 O SER B 230 -2.756 3.814 -14.078 1.00 0.00 O ATOM 1558 CB SER B 230 -0.707 6.106 -13.676 1.00 0.00 C ATOM 1559 OG SER B 230 -0.392 7.502 -13.630 1.00 0.00 O ATOM 0 H SER B 230 -1.104 6.579 -11.326 1.00 0.00 H new ATOM 0 HA SER B 230 -2.846 6.353 -13.607 1.00 0.00 H new ATOM 0 HB2 SER B 230 0.061 5.532 -13.157 1.00 0.00 H new ATOM 0 HB3 SER B 230 -0.720 5.760 -14.709 1.00 0.00 H new ATOM 0 HG SER B 230 0.482 7.654 -14.046 1.00 0.00 H new ATOM 1565 N ARG B 231 -2.404 3.731 -11.883 1.00 0.00 N ATOM 1566 CA ARG B 231 -2.729 2.297 -11.809 1.00 0.00 C ATOM 1567 C ARG B 231 -4.238 2.100 -11.699 1.00 0.00 C ATOM 1568 O ARG B 231 -4.729 0.968 -11.648 1.00 0.00 O ATOM 1569 CB ARG B 231 -2.052 1.650 -10.600 1.00 0.00 C ATOM 1570 CG ARG B 231 -0.552 1.847 -10.531 1.00 0.00 C ATOM 1571 CD ARG B 231 0.187 1.152 -11.665 1.00 0.00 C ATOM 1572 NE ARG B 231 0.007 -0.308 -11.649 1.00 0.00 N ATOM 1573 CZ ARG B 231 0.979 -1.207 -11.910 1.00 0.00 C ATOM 1574 NH1 ARG B 231 2.244 -0.809 -12.136 1.00 0.00 N ATOM 1575 NH2 ARG B 231 0.690 -2.501 -11.927 1.00 0.00 N ATOM 0 H ARG B 231 -2.167 4.163 -10.990 1.00 0.00 H new ATOM 0 HA ARG B 231 -2.364 1.824 -12.720 1.00 0.00 H new ATOM 0 HB2 ARG B 231 -2.499 2.054 -9.692 1.00 0.00 H new ATOM 0 HB3 ARG B 231 -2.264 0.581 -10.612 1.00 0.00 H new ATOM 0 HG2 ARG B 231 -0.329 2.914 -10.558 1.00 0.00 H new ATOM 0 HG3 ARG B 231 -0.184 1.468 -9.578 1.00 0.00 H new ATOM 0 HD2 ARG B 231 -0.165 1.547 -12.618 1.00 0.00 H new ATOM 0 HD3 ARG B 231 1.250 1.384 -11.596 1.00 0.00 H new ATOM 0 HE ARG B 231 -0.921 -0.667 -11.424 1.00 0.00 H new ATOM 0 HH11 ARG B 231 2.479 0.183 -12.111 1.00 0.00 H new ATOM 0 HH12 ARG B 231 2.969 -1.500 -12.332 1.00 0.00 H new ATOM 0 HH21 ARG B 231 -0.264 -2.813 -11.743 1.00 0.00 H new ATOM 0 HH22 ARG B 231 1.421 -3.184 -12.124 1.00 0.00 H new ATOM 1589 N TRP B 232 -4.957 3.205 -11.656 1.00 0.00 N ATOM 1590 CA TRP B 232 -6.383 3.195 -11.489 1.00 0.00 C ATOM 1591 C TRP B 232 -7.108 2.829 -12.749 1.00 0.00 C ATOM 1592 O TRP B 232 -6.931 3.428 -13.814 1.00 0.00 O ATOM 1593 CB TRP B 232 -6.899 4.531 -10.932 1.00 0.00 C ATOM 1594 CG TRP B 232 -8.377 4.545 -10.616 1.00 0.00 C ATOM 1595 CD1 TRP B 232 -9.077 3.593 -9.933 1.00 0.00 C ATOM 1596 CD2 TRP B 232 -9.323 5.569 -10.941 1.00 0.00 C ATOM 1597 NE1 TRP B 232 -10.387 3.957 -9.818 1.00 0.00 N ATOM 1598 CE2 TRP B 232 -10.566 5.165 -10.418 1.00 0.00 C ATOM 1599 CE3 TRP B 232 -9.243 6.785 -11.617 1.00 0.00 C ATOM 1600 CZ2 TRP B 232 -11.712 5.928 -10.551 1.00 0.00 C ATOM 1601 CZ3 TRP B 232 -10.387 7.547 -11.747 1.00 0.00 C ATOM 1602 CH2 TRP B 232 -11.605 7.115 -11.214 1.00 0.00 C ATOM 0 H TRP B 232 -4.557 4.140 -11.737 1.00 0.00 H new ATOM 0 HA TRP B 232 -6.597 2.416 -10.757 1.00 0.00 H new ATOM 0 HB2 TRP B 232 -6.344 4.772 -10.026 1.00 0.00 H new ATOM 0 HB3 TRP B 232 -6.687 5.319 -11.655 1.00 0.00 H new ATOM 0 HD1 TRP B 232 -8.654 2.681 -9.539 1.00 0.00 H new ATOM 0 HE1 TRP B 232 -11.115 3.411 -9.357 1.00 0.00 H new ATOM 0 HE3 TRP B 232 -8.305 7.125 -12.031 1.00 0.00 H new ATOM 0 HZ2 TRP B 232 -12.656 5.596 -10.145 1.00 0.00 H new ATOM 0 HZ3 TRP B 232 -10.340 8.492 -12.269 1.00 0.00 H new ATOM 0 HH2 TRP B 232 -12.481 7.735 -11.330 1.00 0.00 H new ATOM 1613 N ASP B 233 -7.899 1.848 -12.587 1.00 0.00 N ATOM 1614 CA ASP B 233 -8.826 1.358 -13.533 1.00 0.00 C ATOM 1615 C ASP B 233 -10.116 1.504 -12.817 1.00 0.00 C ATOM 1616 O ASP B 233 -10.083 1.440 -11.622 1.00 0.00 O ATOM 1617 CB ASP B 233 -8.556 -0.118 -13.835 1.00 0.00 C ATOM 1618 CG ASP B 233 -9.607 -0.736 -14.722 1.00 0.00 C ATOM 1619 OD1 ASP B 233 -9.930 -0.163 -15.778 1.00 0.00 O ATOM 1620 OD2 ASP B 233 -10.146 -1.802 -14.369 1.00 0.00 O ATOM 0 H ASP B 233 -7.921 1.318 -11.716 1.00 0.00 H new ATOM 0 HA ASP B 233 -8.789 1.878 -14.490 1.00 0.00 H new ATOM 0 HB2 ASP B 233 -7.581 -0.214 -14.314 1.00 0.00 H new ATOM 0 HB3 ASP B 233 -8.506 -0.672 -12.898 1.00 0.00 H new ATOM 1625 N GLY B 234 -11.183 1.757 -13.547 1.00 0.00 N ATOM 1626 CA GLY B 234 -12.589 2.012 -13.084 1.00 0.00 C ATOM 1627 C GLY B 234 -13.116 1.106 -11.985 1.00 0.00 C ATOM 1628 O GLY B 234 -14.079 0.372 -12.146 1.00 0.00 O ATOM 0 H GLY B 234 -11.116 1.800 -14.564 1.00 0.00 H new ATOM 0 HA2 GLY B 234 -12.652 3.043 -12.735 1.00 0.00 H new ATOM 0 HA3 GLY B 234 -13.252 1.926 -13.945 1.00 0.00 H new ATOM 1714 N GLY B 240 -19.238 4.373 3.268 1.00 0.00 N ATOM 1715 CA GLY B 240 -20.578 4.856 3.336 1.00 0.00 C ATOM 1716 C GLY B 240 -21.508 3.932 2.617 1.00 0.00 C ATOM 1717 O GLY B 240 -22.427 4.353 1.960 1.00 0.00 O ATOM 0 HA2 GLY B 240 -20.884 4.950 4.378 1.00 0.00 H new ATOM 0 HA3 GLY B 240 -20.634 5.852 2.896 1.00 0.00 H new ATOM 1721 N PHE B 241 -21.224 2.669 2.695 1.00 0.00 N ATOM 1722 CA PHE B 241 -22.085 1.669 2.130 1.00 0.00 C ATOM 1723 C PHE B 241 -23.299 1.470 3.021 1.00 0.00 C ATOM 1724 O PHE B 241 -24.406 1.236 2.541 1.00 0.00 O ATOM 1725 CB PHE B 241 -21.333 0.355 1.812 1.00 0.00 C ATOM 1726 CG PHE B 241 -20.434 -0.172 2.907 1.00 0.00 C ATOM 1727 CD1 PHE B 241 -20.933 -0.962 3.923 1.00 0.00 C ATOM 1728 CD2 PHE B 241 -19.078 0.121 2.901 1.00 0.00 C ATOM 1729 CE1 PHE B 241 -20.106 -1.449 4.914 1.00 0.00 C ATOM 1730 CE2 PHE B 241 -18.245 -0.365 3.889 1.00 0.00 C ATOM 1731 CZ PHE B 241 -18.760 -1.151 4.896 1.00 0.00 C ATOM 0 H PHE B 241 -20.390 2.299 3.151 1.00 0.00 H new ATOM 0 HA PHE B 241 -22.443 2.023 1.163 1.00 0.00 H new ATOM 0 HB2 PHE B 241 -22.068 -0.413 1.571 1.00 0.00 H new ATOM 0 HB3 PHE B 241 -20.730 0.511 0.917 1.00 0.00 H new ATOM 0 HD1 PHE B 241 -21.986 -1.202 3.942 1.00 0.00 H new ATOM 0 HD2 PHE B 241 -18.669 0.737 2.114 1.00 0.00 H new ATOM 0 HE1 PHE B 241 -20.513 -2.063 5.704 1.00 0.00 H new ATOM 0 HE2 PHE B 241 -17.191 -0.129 3.872 1.00 0.00 H new ATOM 0 HZ PHE B 241 -18.111 -1.533 5.670 1.00 0.00 H new ATOM 1741 N GLU B 242 -23.078 1.638 4.320 1.00 0.00 N ATOM 1742 CA GLU B 242 -24.107 1.469 5.328 1.00 0.00 C ATOM 1743 C GLU B 242 -25.263 2.451 5.101 1.00 0.00 C ATOM 1744 O GLU B 242 -26.423 2.083 5.244 1.00 0.00 O ATOM 1745 CB GLU B 242 -23.515 1.671 6.720 1.00 0.00 C ATOM 1746 CG GLU B 242 -24.461 1.330 7.854 1.00 0.00 C ATOM 1747 CD GLU B 242 -23.895 1.669 9.207 1.00 0.00 C ATOM 1748 OE1 GLU B 242 -23.027 0.932 9.716 1.00 0.00 O ATOM 1749 OE2 GLU B 242 -24.301 2.701 9.797 1.00 0.00 O ATOM 0 H GLU B 242 -22.169 1.898 4.702 1.00 0.00 H new ATOM 0 HA GLU B 242 -24.499 0.455 5.249 1.00 0.00 H new ATOM 0 HB2 GLU B 242 -22.618 1.058 6.813 1.00 0.00 H new ATOM 0 HB3 GLU B 242 -23.203 2.710 6.822 1.00 0.00 H new ATOM 0 HG2 GLU B 242 -25.399 1.867 7.713 1.00 0.00 H new ATOM 0 HG3 GLU B 242 -24.694 0.266 7.819 1.00 0.00 H new ATOM 1756 N GLU B 243 -24.940 3.690 4.709 1.00 0.00 N ATOM 1757 CA GLU B 243 -25.971 4.702 4.470 1.00 0.00 C ATOM 1758 C GLU B 243 -26.847 4.321 3.293 1.00 0.00 C ATOM 1759 O GLU B 243 -28.026 4.582 3.300 1.00 0.00 O ATOM 1760 CB GLU B 243 -25.394 6.096 4.238 1.00 0.00 C ATOM 1761 CG GLU B 243 -24.415 6.164 3.096 1.00 0.00 C ATOM 1762 CD GLU B 243 -24.010 7.559 2.741 1.00 0.00 C ATOM 1763 OE1 GLU B 243 -23.201 8.156 3.466 1.00 0.00 O ATOM 1764 OE2 GLU B 243 -24.499 8.092 1.715 1.00 0.00 O ATOM 0 H GLU B 243 -23.985 4.011 4.553 1.00 0.00 H new ATOM 0 HA GLU B 243 -26.570 4.737 5.380 1.00 0.00 H new ATOM 0 HB2 GLU B 243 -26.212 6.791 4.046 1.00 0.00 H new ATOM 0 HB3 GLU B 243 -24.899 6.431 5.150 1.00 0.00 H new ATOM 0 HG2 GLU B 243 -23.525 5.591 3.356 1.00 0.00 H new ATOM 0 HG3 GLU B 243 -24.856 5.688 2.220 1.00 0.00 H new ATOM 1771 N LYS B 244 -26.252 3.687 2.290 1.00 0.00 N ATOM 1772 CA LYS B 244 -26.968 3.302 1.093 1.00 0.00 C ATOM 1773 C LYS B 244 -27.957 2.222 1.457 1.00 0.00 C ATOM 1774 O LYS B 244 -29.102 2.214 1.002 1.00 0.00 O ATOM 1775 CB LYS B 244 -25.977 2.778 0.064 1.00 0.00 C ATOM 1776 CG LYS B 244 -24.726 3.636 -0.069 1.00 0.00 C ATOM 1777 CD LYS B 244 -25.016 5.049 -0.522 1.00 0.00 C ATOM 1778 CE LYS B 244 -23.729 5.844 -0.680 1.00 0.00 C ATOM 1779 NZ LYS B 244 -23.985 7.284 -0.861 1.00 0.00 N ATOM 0 H LYS B 244 -25.265 3.429 2.289 1.00 0.00 H new ATOM 0 HA LYS B 244 -27.496 4.157 0.671 1.00 0.00 H new ATOM 0 HB2 LYS B 244 -25.685 1.764 0.337 1.00 0.00 H new ATOM 0 HB3 LYS B 244 -26.471 2.717 -0.906 1.00 0.00 H new ATOM 0 HG2 LYS B 244 -24.212 3.668 0.892 1.00 0.00 H new ATOM 0 HG3 LYS B 244 -24.045 3.166 -0.779 1.00 0.00 H new ATOM 0 HD2 LYS B 244 -25.554 5.028 -1.470 1.00 0.00 H new ATOM 0 HD3 LYS B 244 -25.665 5.541 0.202 1.00 0.00 H new ATOM 0 HE2 LYS B 244 -23.102 5.696 0.199 1.00 0.00 H new ATOM 0 HE3 LYS B 244 -23.172 5.465 -1.537 1.00 0.00 H new ATOM 0 HZ1 LYS B 244 -23.146 7.736 -1.278 1.00 0.00 H new ATOM 0 HZ2 LYS B 244 -24.799 7.415 -1.495 1.00 0.00 H new ATOM 0 HZ3 LYS B 244 -24.190 7.719 0.061 1.00 0.00 H new ATOM 1793 N TRP B 245 -27.510 1.331 2.319 1.00 0.00 N ATOM 1794 CA TRP B 245 -28.343 0.274 2.826 1.00 0.00 C ATOM 1795 C TRP B 245 -29.457 0.868 3.673 1.00 0.00 C ATOM 1796 O TRP B 245 -30.619 0.501 3.539 1.00 0.00 O ATOM 1797 CB TRP B 245 -27.520 -0.705 3.657 1.00 0.00 C ATOM 1798 CG TRP B 245 -26.407 -1.368 2.910 1.00 0.00 C ATOM 1799 CD1 TRP B 245 -26.216 -1.403 1.553 1.00 0.00 C ATOM 1800 CD2 TRP B 245 -25.339 -2.116 3.482 1.00 0.00 C ATOM 1801 NE1 TRP B 245 -25.090 -2.111 1.263 1.00 0.00 N ATOM 1802 CE2 TRP B 245 -24.531 -2.562 2.425 1.00 0.00 C ATOM 1803 CE3 TRP B 245 -24.983 -2.446 4.791 1.00 0.00 C ATOM 1804 CZ2 TRP B 245 -23.390 -3.323 2.634 1.00 0.00 C ATOM 1805 CZ3 TRP B 245 -23.852 -3.201 4.997 1.00 0.00 C ATOM 1806 CH2 TRP B 245 -23.069 -3.631 3.925 1.00 0.00 C ATOM 0 H TRP B 245 -26.558 1.325 2.684 1.00 0.00 H new ATOM 0 HA TRP B 245 -28.776 -0.269 1.986 1.00 0.00 H new ATOM 0 HB2 TRP B 245 -27.101 -0.174 4.512 1.00 0.00 H new ATOM 0 HB3 TRP B 245 -28.184 -1.474 4.053 1.00 0.00 H new ATOM 0 HD1 TRP B 245 -26.862 -0.938 0.823 1.00 0.00 H new ATOM 0 HE1 TRP B 245 -24.722 -2.278 0.326 1.00 0.00 H new ATOM 0 HE3 TRP B 245 -25.584 -2.115 5.625 1.00 0.00 H new ATOM 0 HZ2 TRP B 245 -22.780 -3.658 1.808 1.00 0.00 H new ATOM 0 HZ3 TRP B 245 -23.565 -3.465 6.004 1.00 0.00 H new ATOM 0 HH2 TRP B 245 -22.187 -4.222 4.121 1.00 0.00 H new ATOM 1817 N PHE B 246 -29.091 1.822 4.499 1.00 0.00 N ATOM 1818 CA PHE B 246 -30.009 2.521 5.368 1.00 0.00 C ATOM 1819 C PHE B 246 -31.069 3.278 4.561 1.00 0.00 C ATOM 1820 O PHE B 246 -32.249 3.279 4.909 1.00 0.00 O ATOM 1821 CB PHE B 246 -29.206 3.453 6.306 1.00 0.00 C ATOM 1822 CG PHE B 246 -29.937 4.674 6.782 1.00 0.00 C ATOM 1823 CD1 PHE B 246 -30.795 4.629 7.863 1.00 0.00 C ATOM 1824 CD2 PHE B 246 -29.755 5.874 6.118 1.00 0.00 C ATOM 1825 CE1 PHE B 246 -31.463 5.769 8.270 1.00 0.00 C ATOM 1826 CE2 PHE B 246 -30.413 7.011 6.516 1.00 0.00 C ATOM 1827 CZ PHE B 246 -31.272 6.961 7.595 1.00 0.00 C ATOM 0 H PHE B 246 -28.126 2.140 4.587 1.00 0.00 H new ATOM 0 HA PHE B 246 -30.552 1.802 5.981 1.00 0.00 H new ATOM 0 HB2 PHE B 246 -28.889 2.878 7.176 1.00 0.00 H new ATOM 0 HB3 PHE B 246 -28.302 3.771 5.787 1.00 0.00 H new ATOM 0 HD1 PHE B 246 -30.945 3.700 8.393 1.00 0.00 H new ATOM 0 HD2 PHE B 246 -29.084 5.917 5.273 1.00 0.00 H new ATOM 0 HE1 PHE B 246 -32.134 5.729 9.115 1.00 0.00 H new ATOM 0 HE2 PHE B 246 -30.259 7.940 5.987 1.00 0.00 H new ATOM 0 HZ PHE B 246 -31.794 7.852 7.912 1.00 0.00 H new ATOM 1837 N ALA B 247 -30.644 3.869 3.480 1.00 0.00 N ATOM 1838 CA ALA B 247 -31.498 4.651 2.617 1.00 0.00 C ATOM 1839 C ALA B 247 -32.589 3.801 1.973 1.00 0.00 C ATOM 1840 O ALA B 247 -33.705 4.265 1.774 1.00 0.00 O ATOM 1841 CB ALA B 247 -30.658 5.343 1.559 1.00 0.00 C ATOM 0 H ALA B 247 -29.675 3.822 3.164 1.00 0.00 H new ATOM 0 HA ALA B 247 -32.000 5.402 3.227 1.00 0.00 H new ATOM 0 HB1 ALA B 247 -31.305 5.932 0.909 1.00 0.00 H new ATOM 0 HB2 ALA B 247 -29.933 5.999 2.041 1.00 0.00 H new ATOM 0 HB3 ALA B 247 -30.132 4.595 0.966 1.00 0.00 H new ATOM 1847 N LYS B 248 -32.283 2.555 1.680 1.00 0.00 N ATOM 1848 CA LYS B 248 -33.242 1.669 1.024 1.00 0.00 C ATOM 1849 C LYS B 248 -33.981 0.793 2.008 1.00 0.00 C ATOM 1850 O LYS B 248 -35.041 0.280 1.706 1.00 0.00 O ATOM 1851 CB LYS B 248 -32.570 0.870 -0.106 1.00 0.00 C ATOM 1852 CG LYS B 248 -31.370 0.017 0.311 1.00 0.00 C ATOM 1853 CD LYS B 248 -31.779 -1.340 0.853 1.00 0.00 C ATOM 1854 CE LYS B 248 -30.583 -2.128 1.351 1.00 0.00 C ATOM 1855 NZ LYS B 248 -30.953 -3.502 1.740 1.00 0.00 N ATOM 0 H LYS B 248 -31.380 2.126 1.882 1.00 0.00 H new ATOM 0 HA LYS B 248 -34.006 2.293 0.561 1.00 0.00 H new ATOM 0 HB2 LYS B 248 -33.317 0.218 -0.559 1.00 0.00 H new ATOM 0 HB3 LYS B 248 -32.246 1.568 -0.878 1.00 0.00 H new ATOM 0 HG2 LYS B 248 -30.712 -0.122 -0.547 1.00 0.00 H new ATOM 0 HG3 LYS B 248 -30.797 0.549 1.070 1.00 0.00 H new ATOM 0 HD2 LYS B 248 -32.492 -1.207 1.667 1.00 0.00 H new ATOM 0 HD3 LYS B 248 -32.288 -1.905 0.072 1.00 0.00 H new ATOM 0 HE2 LYS B 248 -29.822 -2.164 0.572 1.00 0.00 H new ATOM 0 HE3 LYS B 248 -30.141 -1.615 2.205 1.00 0.00 H new ATOM 0 HZ1 LYS B 248 -30.108 -4.008 2.075 1.00 0.00 H new ATOM 0 HZ2 LYS B 248 -31.661 -3.469 2.501 1.00 0.00 H new ATOM 0 HZ3 LYS B 248 -31.352 -4.000 0.919 1.00 0.00 H new ATOM 1869 N GLN B 249 -33.450 0.675 3.202 1.00 0.00 N ATOM 1870 CA GLN B 249 -34.095 -0.106 4.256 1.00 0.00 C ATOM 1871 C GLN B 249 -35.210 0.729 4.892 1.00 0.00 C ATOM 1872 O GLN B 249 -35.834 0.321 5.868 1.00 0.00 O ATOM 1873 CB GLN B 249 -33.083 -0.547 5.322 1.00 0.00 C ATOM 1874 CG GLN B 249 -32.677 0.536 6.298 1.00 0.00 C ATOM 1875 CD GLN B 249 -31.563 0.125 7.237 1.00 0.00 C ATOM 1876 OE1 GLN B 249 -30.650 -0.682 6.767 1.00 0.00 O flip ATOM 1877 NE2 GLN B 249 -31.506 0.578 8.374 1.00 0.00 N flip ATOM 0 H GLN B 249 -32.569 1.108 3.478 1.00 0.00 H new ATOM 0 HA GLN B 249 -34.519 -1.007 3.813 1.00 0.00 H new ATOM 0 HB2 GLN B 249 -33.506 -1.381 5.882 1.00 0.00 H new ATOM 0 HB3 GLN B 249 -32.189 -0.920 4.822 1.00 0.00 H new ATOM 0 HG2 GLN B 249 -32.362 1.417 5.739 1.00 0.00 H new ATOM 0 HG3 GLN B 249 -33.547 0.827 6.887 1.00 0.00 H new ATOM 0 HE21 GLN B 249 -32.236 1.206 8.710 1.00 0.00 H new ATOM 0 HE22 GLN B 249 -30.728 0.327 8.985 1.00 0.00 H new ATOM 1886 N ASN B 250 -35.405 1.931 4.320 1.00 0.00 N ATOM 1887 CA ASN B 250 -36.412 2.922 4.757 1.00 0.00 C ATOM 1888 C ASN B 250 -37.786 2.319 4.874 1.00 0.00 C ATOM 1889 O ASN B 250 -38.616 2.782 5.664 1.00 0.00 O ATOM 1890 CB ASN B 250 -36.484 4.144 3.812 1.00 0.00 C ATOM 1891 CG ASN B 250 -37.109 3.830 2.464 1.00 0.00 C ATOM 1892 OD1 ASN B 250 -38.319 3.929 2.276 1.00 0.00 O ATOM 1893 ND2 ASN B 250 -36.299 3.477 1.532 1.00 0.00 N ATOM 0 H ASN B 250 -34.855 2.250 3.522 1.00 0.00 H new ATOM 0 HA ASN B 250 -36.081 3.255 5.741 1.00 0.00 H new ATOM 0 HB2 ASN B 250 -37.059 4.934 4.295 1.00 0.00 H new ATOM 0 HB3 ASN B 250 -35.478 4.532 3.656 1.00 0.00 H new ATOM 0 HD21 ASN B 250 -36.655 3.268 0.599 1.00 0.00 H new ATOM 0 HD22 ASN B 250 -35.300 3.405 1.725 1.00 0.00 H new ATOM 1900 N GLU B 251 -38.021 1.313 4.078 1.00 0.00 N ATOM 1901 CA GLU B 251 -39.274 0.632 4.049 1.00 0.00 C ATOM 1902 C GLU B 251 -39.705 0.024 5.356 1.00 0.00 C ATOM 1903 O GLU B 251 -38.896 -0.382 6.190 1.00 0.00 O ATOM 1904 CB GLU B 251 -39.314 -0.365 2.937 1.00 0.00 C ATOM 1905 CG GLU B 251 -39.997 0.198 1.738 1.00 0.00 C ATOM 1906 CD GLU B 251 -41.474 0.422 2.009 1.00 0.00 C ATOM 1907 OE1 GLU B 251 -42.039 -0.246 2.929 1.00 0.00 O ATOM 1908 OE2 GLU B 251 -42.092 1.274 1.329 1.00 0.00 O ATOM 0 H GLU B 251 -37.333 0.942 3.423 1.00 0.00 H new ATOM 0 HA GLU B 251 -40.014 1.410 3.860 1.00 0.00 H new ATOM 0 HB2 GLU B 251 -38.299 -0.663 2.675 1.00 0.00 H new ATOM 0 HB3 GLU B 251 -39.835 -1.263 3.268 1.00 0.00 H new ATOM 0 HG2 GLU B 251 -39.528 1.141 1.457 1.00 0.00 H new ATOM 0 HG3 GLU B 251 -39.877 -0.481 0.894 1.00 0.00 H new ATOM 1915 N ILE B 252 -40.995 -0.039 5.506 1.00 0.00 N ATOM 1916 CA ILE B 252 -41.611 -0.552 6.690 1.00 0.00 C ATOM 1917 C ILE B 252 -42.278 -1.878 6.391 1.00 0.00 C ATOM 1918 O ILE B 252 -42.364 -2.746 7.251 1.00 0.00 O ATOM 1919 CB ILE B 252 -42.654 0.443 7.276 1.00 0.00 C ATOM 1920 CG1 ILE B 252 -43.724 0.802 6.217 1.00 0.00 C ATOM 1921 CG2 ILE B 252 -41.953 1.700 7.798 1.00 0.00 C ATOM 1922 CD1 ILE B 252 -44.824 1.711 6.718 1.00 0.00 C ATOM 0 H ILE B 252 -41.659 0.270 4.796 1.00 0.00 H new ATOM 0 HA ILE B 252 -40.829 -0.693 7.436 1.00 0.00 H new ATOM 0 HB ILE B 252 -43.162 -0.038 8.112 1.00 0.00 H new ATOM 0 HG12 ILE B 252 -43.232 1.281 5.370 1.00 0.00 H new ATOM 0 HG13 ILE B 252 -44.173 -0.119 5.846 1.00 0.00 H new ATOM 0 HG21 ILE B 252 -42.694 2.388 8.205 1.00 0.00 H new ATOM 0 HG22 ILE B 252 -41.246 1.424 8.580 1.00 0.00 H new ATOM 0 HG23 ILE B 252 -41.419 2.185 6.981 1.00 0.00 H new ATOM 0 HD11 ILE B 252 -45.528 1.910 5.910 1.00 0.00 H new ATOM 0 HD12 ILE B 252 -45.346 1.229 7.544 1.00 0.00 H new ATOM 0 HD13 ILE B 252 -44.391 2.651 7.061 1.00 0.00 H new ATOM 1934 N ASN B 253 -42.720 -2.053 5.161 1.00 0.00 N ATOM 1935 CA ASN B 253 -43.411 -3.280 4.799 1.00 0.00 C ATOM 1936 C ASN B 253 -42.619 -4.049 3.767 1.00 0.00 C ATOM 1937 O ASN B 253 -42.575 -5.276 3.797 1.00 0.00 O ATOM 1938 CB ASN B 253 -44.836 -3.000 4.257 1.00 0.00 C ATOM 1939 CG ASN B 253 -44.857 -2.377 2.862 1.00 0.00 C ATOM 1940 OD1 ASN B 253 -44.885 -3.080 1.849 1.00 0.00 O ATOM 1941 ND2 ASN B 253 -44.866 -1.083 2.788 1.00 0.00 N ATOM 0 H ASN B 253 -42.617 -1.376 4.405 1.00 0.00 H new ATOM 0 HA ASN B 253 -43.504 -3.877 5.706 1.00 0.00 H new ATOM 0 HB2 ASN B 253 -45.396 -3.935 4.235 1.00 0.00 H new ATOM 0 HB3 ASN B 253 -45.353 -2.335 4.949 1.00 0.00 H new ATOM 0 HD21 ASN B 253 -44.897 -0.624 1.877 1.00 0.00 H new ATOM 0 HD22 ASN B 253 -44.842 -0.523 3.640 1.00 0.00 H new ATOM 1948 N GLU B 254 -41.955 -3.322 2.890 1.00 0.00 N ATOM 1949 CA GLU B 254 -41.263 -3.922 1.784 1.00 0.00 C ATOM 1950 C GLU B 254 -39.877 -4.396 2.235 1.00 0.00 C ATOM 1951 O GLU B 254 -39.552 -4.329 3.436 1.00 0.00 O ATOM 1952 CB GLU B 254 -41.123 -2.887 0.679 1.00 0.00 C ATOM 1953 CG GLU B 254 -41.212 -3.426 -0.725 1.00 0.00 C ATOM 1954 CD GLU B 254 -40.829 -2.401 -1.737 1.00 0.00 C ATOM 1955 OE1 GLU B 254 -41.658 -1.566 -2.103 1.00 0.00 O ATOM 1956 OE2 GLU B 254 -39.673 -2.400 -2.184 1.00 0.00 O ATOM 0 H GLU B 254 -41.885 -2.305 2.930 1.00 0.00 H new ATOM 0 HA GLU B 254 -41.823 -4.782 1.416 1.00 0.00 H new ATOM 0 HB2 GLU B 254 -41.899 -2.133 0.810 1.00 0.00 H new ATOM 0 HB3 GLU B 254 -40.164 -2.382 0.796 1.00 0.00 H new ATOM 0 HG2 GLU B 254 -40.561 -4.294 -0.823 1.00 0.00 H new ATOM 0 HG3 GLU B 254 -42.229 -3.767 -0.920 1.00 0.00 H new