USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 650 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 34 HIS : no HD1:sc= -0.251 X(o=-3.4,f=-3.7) USER MOD Set 1.2: A 39 MET CE :methyl -175:sc= -2 (180deg=-2.09) USER MOD Set 1.3: B 39 MET CE :methyl 162:sc= -1.14 (180deg=-1.16) USER MOD Set 2.1: A 19 GLN : amide:sc= -0.0504 X(o=-0.1,f=-0.043) USER MOD Set 2.2: A 21 TYR OH : rot 30:sc= -0.0546 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.0117 USER MOD Single : A 17 MET CE :methyl -138:sc= 0 (180deg=-0.784) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.312 X(o=-0.31,f=-0.22) USER MOD Single : A 28 LYS NZ :NH3+ -160:sc= 1.2 (180deg=0.787) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.0008) USER MOD Single : A 36 ASN : amide:sc= -0.351 K(o=-0.35,f=-10!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0237 X(o=-0.024,f=-0.24) USER MOD Single : A 48 SER OG : rot -46:sc= 0.00305 USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD Single : B 11 SER OG : rot 180:sc= 0.00287 USER MOD Single : B 17 MET CE :methyl 180:sc=-0.00822 (180deg=-0.00822) USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD Single : B 19 GLN : amide:sc= -0.628 K(o=-0.63,f=0) USER MOD Single : B 21 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 27 GLN : amide:sc= -0.463 X(o=-0.46,f=-0.078) USER MOD Single : B 28 LYS NZ :NH3+ -165:sc= 0.746 (180deg=0.563) USER MOD Single : B 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 36 ASN : amide:sc= -1.24 K(o=-1.2,f=-9.9!) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 ASN : amide:sc= 0.713 K(o=0.71,f=0) USER MOD Single : B 48 SER OG : rot 119:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 83 N LEU A 9 -15.217 8.064 5.123 1.00 0.00 N ATOM 84 CA LEU A 9 -14.523 6.913 4.556 1.00 0.00 C ATOM 85 C LEU A 9 -15.236 5.591 4.807 1.00 0.00 C ATOM 86 O LEU A 9 -15.011 4.655 4.044 1.00 0.00 O ATOM 87 CB LEU A 9 -13.055 6.865 5.007 1.00 0.00 C ATOM 88 CG LEU A 9 -12.123 7.380 3.895 1.00 0.00 C ATOM 89 CD1 LEU A 9 -12.310 8.875 3.597 1.00 0.00 C ATOM 90 CD2 LEU A 9 -10.675 7.118 4.297 1.00 0.00 C ATOM 0 HA LEU A 9 -14.538 7.054 3.475 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.926 7.470 5.905 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.784 5.842 5.270 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.379 6.842 2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.625 9.177 2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -13.336 9.057 3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.102 9.454 4.497 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.009 7.480 3.514 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.456 7.639 5.229 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.524 6.047 4.435 1.00 0.00 H new ATOM 102 N SER A 10 -16.119 5.498 5.806 1.00 0.00 N ATOM 103 CA SER A 10 -16.864 4.278 6.110 1.00 0.00 C ATOM 104 C SER A 10 -17.605 3.774 4.866 1.00 0.00 C ATOM 105 O SER A 10 -17.535 2.589 4.527 1.00 0.00 O ATOM 106 CB SER A 10 -17.833 4.558 7.263 1.00 0.00 C ATOM 107 OG SER A 10 -17.104 5.070 8.367 1.00 0.00 O ATOM 0 H SER A 10 -16.337 6.275 6.430 1.00 0.00 H new ATOM 0 HA SER A 10 -16.173 3.492 6.414 1.00 0.00 H new ATOM 0 HB2 SER A 10 -18.593 5.273 6.950 1.00 0.00 H new ATOM 0 HB3 SER A 10 -18.354 3.644 7.547 1.00 0.00 H new ATOM 0 HG SER A 10 -17.718 5.253 9.108 1.00 0.00 H new ATOM 113 N SER A 11 -18.225 4.697 4.129 1.00 0.00 N ATOM 114 CA SER A 11 -18.964 4.408 2.916 1.00 0.00 C ATOM 115 C SER A 11 -18.049 3.823 1.828 1.00 0.00 C ATOM 116 O SER A 11 -18.512 3.083 0.958 1.00 0.00 O ATOM 117 CB SER A 11 -19.611 5.717 2.444 1.00 0.00 C ATOM 118 OG SER A 11 -20.191 6.444 3.520 1.00 0.00 O ATOM 0 H SER A 11 -18.222 5.688 4.372 1.00 0.00 H new ATOM 0 HA SER A 11 -19.728 3.657 3.116 1.00 0.00 H new ATOM 0 HB2 SER A 11 -18.860 6.335 1.952 1.00 0.00 H new ATOM 0 HB3 SER A 11 -20.378 5.495 1.702 1.00 0.00 H new ATOM 0 HG SER A 11 -20.591 7.271 3.178 1.00 0.00 H new ATOM 124 N GLU A 12 -16.752 4.144 1.853 1.00 0.00 N ATOM 125 CA GLU A 12 -15.773 3.655 0.894 1.00 0.00 C ATOM 126 C GLU A 12 -15.296 2.253 1.290 1.00 0.00 C ATOM 127 O GLU A 12 -14.930 1.468 0.415 1.00 0.00 O ATOM 128 CB GLU A 12 -14.609 4.644 0.741 1.00 0.00 C ATOM 129 CG GLU A 12 -15.029 6.121 0.599 1.00 0.00 C ATOM 130 CD GLU A 12 -16.134 6.378 -0.430 1.00 0.00 C ATOM 131 OE1 GLU A 12 -16.173 5.699 -1.482 1.00 0.00 O ATOM 132 OE2 GLU A 12 -16.980 7.276 -0.193 1.00 0.00 O ATOM 0 H GLU A 12 -16.351 4.764 2.557 1.00 0.00 H new ATOM 0 HA GLU A 12 -16.247 3.576 -0.084 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -13.954 4.549 1.607 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.024 4.362 -0.134 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -15.365 6.484 1.570 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.153 6.709 0.325 1.00 0.00 H new ATOM 139 N ILE A 13 -15.316 1.902 2.584 1.00 0.00 N ATOM 140 CA ILE A 13 -14.917 0.568 3.034 1.00 0.00 C ATOM 141 C ILE A 13 -15.918 -0.393 2.371 1.00 0.00 C ATOM 142 O ILE A 13 -15.535 -1.420 1.817 1.00 0.00 O ATOM 143 CB ILE A 13 -14.922 0.442 4.580 1.00 0.00 C ATOM 144 CG1 ILE A 13 -14.009 1.479 5.267 1.00 0.00 C ATOM 145 CG2 ILE A 13 -14.499 -0.968 5.041 1.00 0.00 C ATOM 146 CD1 ILE A 13 -14.171 1.506 6.791 1.00 0.00 C ATOM 0 H ILE A 13 -15.605 2.528 3.336 1.00 0.00 H new ATOM 0 HA ILE A 13 -13.890 0.340 2.748 1.00 0.00 H new ATOM 0 HB ILE A 13 -15.953 0.633 4.880 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -12.970 1.259 5.022 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.228 2.469 4.867 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -14.515 -1.015 6.130 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -15.191 -1.706 4.635 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -13.491 -1.181 4.684 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.502 2.255 7.215 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -15.202 1.755 7.043 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -13.924 0.526 7.201 1.00 0.00 H new ATOM 158 N GLU A 14 -17.215 -0.058 2.398 1.00 0.00 N ATOM 159 CA GLU A 14 -18.270 -0.866 1.785 1.00 0.00 C ATOM 160 C GLU A 14 -18.053 -0.981 0.272 1.00 0.00 C ATOM 161 O GLU A 14 -18.366 -2.020 -0.317 1.00 0.00 O ATOM 162 CB GLU A 14 -19.652 -0.262 2.070 1.00 0.00 C ATOM 163 CG GLU A 14 -19.994 -0.320 3.559 1.00 0.00 C ATOM 164 CD GLU A 14 -21.382 0.228 3.855 1.00 0.00 C ATOM 165 OE1 GLU A 14 -22.384 -0.393 3.437 1.00 0.00 O ATOM 166 OE2 GLU A 14 -21.473 1.245 4.584 1.00 0.00 O ATOM 0 H GLU A 14 -17.561 0.788 2.850 1.00 0.00 H new ATOM 0 HA GLU A 14 -18.227 -1.863 2.223 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.674 0.774 1.731 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -20.410 -0.800 1.501 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -19.932 -1.352 3.904 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.254 0.249 4.122 1.00 0.00 H new ATOM 173 N ARG A 15 -17.548 0.070 -0.387 1.00 0.00 N ATOM 174 CA ARG A 15 -17.286 0.031 -1.825 1.00 0.00 C ATOM 175 C ARG A 15 -16.205 -1.015 -2.089 1.00 0.00 C ATOM 176 O ARG A 15 -16.375 -1.831 -2.996 1.00 0.00 O ATOM 177 CB ARG A 15 -16.832 1.399 -2.360 1.00 0.00 C ATOM 178 CG ARG A 15 -17.916 2.489 -2.379 1.00 0.00 C ATOM 179 CD ARG A 15 -18.610 2.606 -3.740 1.00 0.00 C ATOM 180 NE ARG A 15 -19.624 1.558 -3.942 1.00 0.00 N ATOM 181 CZ ARG A 15 -20.928 1.653 -3.648 1.00 0.00 C ATOM 182 NH1 ARG A 15 -21.443 2.792 -3.205 1.00 0.00 N ATOM 183 NH2 ARG A 15 -21.723 0.599 -3.796 1.00 0.00 N ATOM 0 H ARG A 15 -17.314 0.958 0.057 1.00 0.00 H new ATOM 0 HA ARG A 15 -18.209 -0.228 -2.343 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -15.998 1.750 -1.752 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -16.455 1.267 -3.374 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -18.660 2.269 -1.613 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -17.466 3.448 -2.121 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -19.082 3.585 -3.822 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -17.864 2.544 -4.532 1.00 0.00 H new ATOM 0 HE ARG A 15 -19.304 0.677 -4.344 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -20.845 3.609 -3.084 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -22.437 2.851 -2.985 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -21.341 -0.284 -4.134 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -22.715 0.673 -3.572 1.00 0.00 H new ATOM 197 N LEU A 16 -15.126 -1.003 -1.298 1.00 0.00 N ATOM 198 CA LEU A 16 -14.001 -1.932 -1.402 1.00 0.00 C ATOM 199 C LEU A 16 -14.421 -3.359 -1.060 1.00 0.00 C ATOM 200 O LEU A 16 -13.952 -4.293 -1.706 1.00 0.00 O ATOM 201 CB LEU A 16 -12.849 -1.488 -0.484 1.00 0.00 C ATOM 202 CG LEU A 16 -11.948 -0.409 -1.109 1.00 0.00 C ATOM 203 CD1 LEU A 16 -11.060 0.203 -0.027 1.00 0.00 C ATOM 204 CD2 LEU A 16 -11.063 -1.013 -2.205 1.00 0.00 C ATOM 0 H LEU A 16 -15.011 -0.324 -0.545 1.00 0.00 H new ATOM 0 HA LEU A 16 -13.658 -1.919 -2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -13.264 -1.107 0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -12.241 -2.357 -0.231 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.582 0.360 -1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.422 0.968 -0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.685 0.654 0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.439 -0.575 0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.433 -0.234 -2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.434 -1.793 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.692 -1.442 -2.985 1.00 0.00 H new ATOM 216 N MET A 17 -15.325 -3.561 -0.095 1.00 0.00 N ATOM 217 CA MET A 17 -15.782 -4.908 0.262 1.00 0.00 C ATOM 218 C MET A 17 -16.394 -5.606 -0.959 1.00 0.00 C ATOM 219 O MET A 17 -16.293 -6.823 -1.090 1.00 0.00 O ATOM 220 CB MET A 17 -16.815 -4.819 1.388 1.00 0.00 C ATOM 221 CG MET A 17 -16.151 -4.615 2.741 1.00 0.00 C ATOM 222 SD MET A 17 -17.351 -4.516 4.089 1.00 0.00 S ATOM 223 CE MET A 17 -16.206 -4.489 5.484 1.00 0.00 C ATOM 0 H MET A 17 -15.753 -2.813 0.450 1.00 0.00 H new ATOM 0 HA MET A 17 -14.927 -5.493 0.603 1.00 0.00 H new ATOM 0 HB2 MET A 17 -17.500 -3.995 1.190 1.00 0.00 H new ATOM 0 HB3 MET A 17 -17.412 -5.731 1.408 1.00 0.00 H new ATOM 0 HG2 MET A 17 -15.461 -5.437 2.932 1.00 0.00 H new ATOM 0 HG3 MET A 17 -15.558 -3.700 2.718 1.00 0.00 H new ATOM 0 HE1 MET A 17 -16.587 -5.130 6.280 1.00 0.00 H new ATOM 0 HE2 MET A 17 -15.230 -4.852 5.161 1.00 0.00 H new ATOM 0 HE3 MET A 17 -16.109 -3.469 5.855 1.00 0.00 H new ATOM 233 N SER A 18 -16.977 -4.826 -1.872 1.00 0.00 N ATOM 234 CA SER A 18 -17.605 -5.262 -3.111 1.00 0.00 C ATOM 235 C SER A 18 -16.593 -5.716 -4.179 1.00 0.00 C ATOM 236 O SER A 18 -16.995 -5.958 -5.318 1.00 0.00 O ATOM 237 CB SER A 18 -18.444 -4.102 -3.636 1.00 0.00 C ATOM 238 OG SER A 18 -19.563 -4.535 -4.383 1.00 0.00 O ATOM 0 H SER A 18 -17.023 -3.814 -1.755 1.00 0.00 H new ATOM 0 HA SER A 18 -18.220 -6.136 -2.898 1.00 0.00 H new ATOM 0 HB2 SER A 18 -18.785 -3.496 -2.797 1.00 0.00 H new ATOM 0 HB3 SER A 18 -17.821 -3.461 -4.260 1.00 0.00 H new ATOM 0 HG SER A 18 -20.069 -3.756 -4.696 1.00 0.00 H new ATOM 244 N GLN A 19 -15.302 -5.794 -3.850 1.00 0.00 N ATOM 245 CA GLN A 19 -14.219 -6.221 -4.723 1.00 0.00 C ATOM 246 C GLN A 19 -13.561 -7.511 -4.226 1.00 0.00 C ATOM 247 O GLN A 19 -12.661 -8.018 -4.895 1.00 0.00 O ATOM 248 CB GLN A 19 -13.191 -5.091 -4.822 1.00 0.00 C ATOM 249 CG GLN A 19 -13.731 -3.951 -5.680 1.00 0.00 C ATOM 250 CD GLN A 19 -12.636 -3.035 -6.208 1.00 0.00 C ATOM 251 OE1 GLN A 19 -12.677 -1.827 -5.998 1.00 0.00 O ATOM 252 NE2 GLN A 19 -11.661 -3.572 -6.923 1.00 0.00 N ATOM 0 H GLN A 19 -14.972 -5.547 -2.917 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.629 -6.438 -5.710 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.951 -4.721 -3.825 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.265 -5.471 -5.253 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.286 -4.367 -6.521 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.437 -3.364 -5.092 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.644 -4.579 -7.087 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.927 -2.979 -7.310 1.00 0.00 H new ATOM 261 N GLY A 20 -13.995 -8.028 -3.072 1.00 0.00 N ATOM 262 CA GLY A 20 -13.486 -9.246 -2.459 1.00 0.00 C ATOM 263 C GLY A 20 -12.542 -8.964 -1.292 1.00 0.00 C ATOM 264 O GLY A 20 -12.293 -9.866 -0.489 1.00 0.00 O ATOM 0 H GLY A 20 -14.736 -7.590 -2.525 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.323 -9.849 -2.107 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.962 -9.836 -3.211 1.00 0.00 H new ATOM 268 N TYR A 21 -12.037 -7.737 -1.145 1.00 0.00 N ATOM 269 CA TYR A 21 -11.125 -7.380 -0.067 1.00 0.00 C ATOM 270 C TYR A 21 -11.842 -7.504 1.276 1.00 0.00 C ATOM 271 O TYR A 21 -12.874 -6.861 1.486 1.00 0.00 O ATOM 272 CB TYR A 21 -10.579 -5.960 -0.262 1.00 0.00 C ATOM 273 CG TYR A 21 -10.078 -5.651 -1.661 1.00 0.00 C ATOM 274 CD1 TYR A 21 -9.075 -6.435 -2.263 1.00 0.00 C ATOM 275 CD2 TYR A 21 -10.648 -4.583 -2.376 1.00 0.00 C ATOM 276 CE1 TYR A 21 -8.672 -6.165 -3.583 1.00 0.00 C ATOM 277 CE2 TYR A 21 -10.216 -4.280 -3.678 1.00 0.00 C ATOM 278 CZ TYR A 21 -9.248 -5.096 -4.299 1.00 0.00 C ATOM 279 OH TYR A 21 -8.894 -4.870 -5.592 1.00 0.00 O ATOM 0 H TYR A 21 -12.253 -6.964 -1.775 1.00 0.00 H new ATOM 0 HA TYR A 21 -10.278 -8.066 -0.081 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -11.364 -5.247 -0.008 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -9.763 -5.801 0.443 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.616 -7.242 -1.712 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -11.426 -3.989 -1.919 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.917 -6.780 -4.051 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -10.623 -3.427 -4.200 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.649 -5.718 -6.017 1.00 0.00 H new ATOM 289 N SER A 22 -11.343 -8.358 2.169 1.00 0.00 N ATOM 290 CA SER A 22 -11.950 -8.526 3.485 1.00 0.00 C ATOM 291 C SER A 22 -11.670 -7.273 4.327 1.00 0.00 C ATOM 292 O SER A 22 -10.709 -6.541 4.069 1.00 0.00 O ATOM 293 CB SER A 22 -11.418 -9.810 4.129 1.00 0.00 C ATOM 294 OG SER A 22 -11.924 -10.907 3.395 1.00 0.00 O ATOM 0 H SER A 22 -10.523 -8.942 2.004 1.00 0.00 H new ATOM 0 HA SER A 22 -13.032 -8.632 3.409 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.328 -9.817 4.122 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.731 -9.872 5.171 1.00 0.00 H new ATOM 0 HG SER A 22 -11.595 -11.743 3.788 1.00 0.00 H new ATOM 300 N TYR A 23 -12.474 -7.036 5.372 1.00 0.00 N ATOM 301 CA TYR A 23 -12.327 -5.872 6.249 1.00 0.00 C ATOM 302 C TYR A 23 -10.904 -5.722 6.774 1.00 0.00 C ATOM 303 O TYR A 23 -10.395 -4.605 6.841 1.00 0.00 O ATOM 304 CB TYR A 23 -13.287 -5.977 7.434 1.00 0.00 C ATOM 305 CG TYR A 23 -13.241 -4.807 8.400 1.00 0.00 C ATOM 306 CD1 TYR A 23 -13.616 -3.518 7.975 1.00 0.00 C ATOM 307 CD2 TYR A 23 -12.879 -5.021 9.744 1.00 0.00 C ATOM 308 CE1 TYR A 23 -13.662 -2.455 8.892 1.00 0.00 C ATOM 309 CE2 TYR A 23 -12.928 -3.964 10.668 1.00 0.00 C ATOM 310 CZ TYR A 23 -13.327 -2.677 10.249 1.00 0.00 C ATOM 311 OH TYR A 23 -13.376 -1.657 11.148 1.00 0.00 O ATOM 0 H TYR A 23 -13.246 -7.649 5.632 1.00 0.00 H new ATOM 0 HA TYR A 23 -12.563 -4.992 5.650 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -14.303 -6.074 7.052 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -13.064 -6.892 7.983 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -13.869 -3.346 6.939 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -12.562 -6.002 10.066 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -13.953 -1.469 8.562 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -12.660 -4.137 11.700 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.115 -1.988 12.033 1.00 0.00 H new ATOM 321 N GLN A 24 -10.272 -6.844 7.130 1.00 0.00 N ATOM 322 CA GLN A 24 -8.915 -6.896 7.647 1.00 0.00 C ATOM 323 C GLN A 24 -7.971 -6.104 6.751 1.00 0.00 C ATOM 324 O GLN A 24 -7.336 -5.147 7.199 1.00 0.00 O ATOM 325 CB GLN A 24 -8.474 -8.354 7.803 1.00 0.00 C ATOM 326 CG GLN A 24 -9.294 -9.071 8.884 1.00 0.00 C ATOM 327 CD GLN A 24 -8.523 -10.240 9.474 1.00 0.00 C ATOM 328 OE1 GLN A 24 -7.639 -10.047 10.304 1.00 0.00 O ATOM 329 NE2 GLN A 24 -8.787 -11.454 9.045 1.00 0.00 N ATOM 0 H GLN A 24 -10.709 -7.763 7.062 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.884 -6.432 8.633 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.588 -8.874 6.852 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.416 -8.391 8.062 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.553 -8.367 9.675 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.231 -9.429 8.456 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.524 -11.602 8.355 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.255 -12.248 9.402 1.00 0.00 H new ATOM 338 N ASP A 25 -7.908 -6.505 5.487 1.00 0.00 N ATOM 339 CA ASP A 25 -7.096 -5.915 4.440 1.00 0.00 C ATOM 340 C ASP A 25 -7.496 -4.466 4.213 1.00 0.00 C ATOM 341 O ASP A 25 -6.626 -3.599 4.184 1.00 0.00 O ATOM 342 CB ASP A 25 -7.212 -6.750 3.156 1.00 0.00 C ATOM 343 CG ASP A 25 -6.472 -8.090 3.232 1.00 0.00 C ATOM 344 OD1 ASP A 25 -5.641 -8.282 4.150 1.00 0.00 O ATOM 345 OD2 ASP A 25 -6.730 -8.941 2.359 1.00 0.00 O ATOM 0 H ASP A 25 -8.456 -7.297 5.150 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.050 -5.918 4.747 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.265 -6.937 2.947 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.818 -6.173 2.319 1.00 0.00 H new ATOM 350 N ILE A 26 -8.792 -4.156 4.098 1.00 0.00 N ATOM 351 CA ILE A 26 -9.223 -2.775 3.871 1.00 0.00 C ATOM 352 C ILE A 26 -8.687 -1.862 4.977 1.00 0.00 C ATOM 353 O ILE A 26 -8.157 -0.789 4.677 1.00 0.00 O ATOM 354 CB ILE A 26 -10.751 -2.655 3.704 1.00 0.00 C ATOM 355 CG1 ILE A 26 -11.255 -3.494 2.511 1.00 0.00 C ATOM 356 CG2 ILE A 26 -11.120 -1.171 3.480 1.00 0.00 C ATOM 357 CD1 ILE A 26 -12.763 -3.741 2.591 1.00 0.00 C ATOM 0 H ILE A 26 -9.551 -4.834 4.158 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.796 -2.444 2.924 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.227 -3.033 4.609 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.019 -2.980 1.579 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.730 -4.449 2.490 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -12.200 -1.078 3.361 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.798 -0.582 4.339 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.623 -0.804 2.582 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.080 -4.335 1.734 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.995 -4.278 3.511 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -13.289 -2.786 2.586 1.00 0.00 H new ATOM 369 N GLN A 27 -8.833 -2.257 6.245 1.00 0.00 N ATOM 370 CA GLN A 27 -8.333 -1.452 7.347 1.00 0.00 C ATOM 371 C GLN A 27 -6.813 -1.355 7.253 1.00 0.00 C ATOM 372 O GLN A 27 -6.317 -0.237 7.238 1.00 0.00 O ATOM 373 CB GLN A 27 -8.790 -1.995 8.705 1.00 0.00 C ATOM 374 CG GLN A 27 -10.306 -1.912 8.934 1.00 0.00 C ATOM 375 CD GLN A 27 -10.856 -0.492 8.846 1.00 0.00 C ATOM 376 OE1 GLN A 27 -10.882 0.257 9.819 1.00 0.00 O ATOM 377 NE2 GLN A 27 -11.306 -0.073 7.675 1.00 0.00 N ATOM 0 H GLN A 27 -9.291 -3.124 6.526 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.753 -0.449 7.268 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.476 -3.035 8.793 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.283 -1.441 9.495 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.812 -2.536 8.197 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.541 -2.324 9.915 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.284 -0.696 6.868 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.675 0.873 7.579 1.00 0.00 H new ATOM 386 N LYS A 28 -6.070 -2.467 7.144 1.00 0.00 N ATOM 387 CA LYS A 28 -4.600 -2.435 7.047 1.00 0.00 C ATOM 388 C LYS A 28 -4.150 -1.451 5.965 1.00 0.00 C ATOM 389 O LYS A 28 -3.190 -0.707 6.154 1.00 0.00 O ATOM 390 CB LYS A 28 -4.032 -3.838 6.745 1.00 0.00 C ATOM 391 CG LYS A 28 -4.047 -4.781 7.961 1.00 0.00 C ATOM 392 CD LYS A 28 -3.601 -6.224 7.650 1.00 0.00 C ATOM 393 CE LYS A 28 -4.544 -6.919 6.669 1.00 0.00 C ATOM 394 NZ LYS A 28 -4.305 -8.369 6.523 1.00 0.00 N ATOM 0 H LYS A 28 -6.466 -3.407 7.121 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.214 -2.104 8.011 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.610 -4.289 5.938 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.008 -3.737 6.386 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.396 -4.370 8.733 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.055 -4.806 8.374 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.593 -6.210 7.235 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.556 -6.797 8.576 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.571 -6.763 6.998 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.447 -6.446 5.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.724 -8.702 5.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.281 -8.553 6.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.741 -8.875 7.320 1.00 0.00 H new ATOM 408 N ALA A 29 -4.834 -1.442 4.824 1.00 0.00 N ATOM 409 CA ALA A 29 -4.513 -0.566 3.710 1.00 0.00 C ATOM 410 C ALA A 29 -4.746 0.889 4.108 1.00 0.00 C ATOM 411 O ALA A 29 -3.859 1.713 3.902 1.00 0.00 O ATOM 412 CB ALA A 29 -5.305 -0.971 2.466 1.00 0.00 C ATOM 0 H ALA A 29 -5.634 -2.050 4.649 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.458 -0.667 3.457 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.053 -0.305 1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.055 -1.996 2.194 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.372 -0.901 2.675 1.00 0.00 H new ATOM 418 N LEU A 30 -5.910 1.224 4.669 1.00 0.00 N ATOM 419 CA LEU A 30 -6.239 2.586 5.097 1.00 0.00 C ATOM 420 C LEU A 30 -5.270 3.082 6.170 1.00 0.00 C ATOM 421 O LEU A 30 -4.773 4.202 6.067 1.00 0.00 O ATOM 422 CB LEU A 30 -7.682 2.644 5.621 1.00 0.00 C ATOM 423 CG LEU A 30 -8.729 2.613 4.494 1.00 0.00 C ATOM 424 CD1 LEU A 30 -10.117 2.371 5.094 1.00 0.00 C ATOM 425 CD2 LEU A 30 -8.720 3.925 3.697 1.00 0.00 C ATOM 0 H LEU A 30 -6.658 0.552 4.841 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.146 3.241 4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.853 1.803 6.293 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.814 3.553 6.208 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.480 1.802 3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.859 2.349 4.296 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.124 1.418 5.623 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.357 3.174 5.791 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.469 3.876 2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.949 4.757 4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.735 4.075 3.254 1.00 0.00 H new ATOM 437 N VAL A 31 -4.991 2.247 7.168 1.00 0.00 N ATOM 438 CA VAL A 31 -4.096 2.498 8.290 1.00 0.00 C ATOM 439 C VAL A 31 -2.714 2.868 7.764 1.00 0.00 C ATOM 440 O VAL A 31 -2.156 3.925 8.080 1.00 0.00 O ATOM 441 CB VAL A 31 -4.051 1.213 9.153 1.00 0.00 C ATOM 442 CG1 VAL A 31 -2.878 1.154 10.137 1.00 0.00 C ATOM 443 CG2 VAL A 31 -5.366 1.010 9.911 1.00 0.00 C ATOM 0 H VAL A 31 -5.412 1.319 7.216 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.448 3.329 8.901 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.901 0.403 8.440 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.922 0.222 10.701 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.938 1.201 9.586 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.937 1.997 10.825 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.305 0.100 10.508 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.544 1.863 10.566 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.187 0.922 9.199 1.00 0.00 H new ATOM 453 N ILE A 32 -2.145 1.998 6.929 1.00 0.00 N ATOM 454 CA ILE A 32 -0.829 2.226 6.382 1.00 0.00 C ATOM 455 C ILE A 32 -0.854 3.434 5.415 1.00 0.00 C ATOM 456 O ILE A 32 0.173 4.091 5.244 1.00 0.00 O ATOM 457 CB ILE A 32 -0.299 0.890 5.810 1.00 0.00 C ATOM 458 CG1 ILE A 32 -0.190 -0.265 6.848 1.00 0.00 C ATOM 459 CG2 ILE A 32 1.058 1.179 5.169 1.00 0.00 C ATOM 460 CD1 ILE A 32 -0.076 -1.683 6.241 1.00 0.00 C ATOM 0 H ILE A 32 -2.585 1.130 6.623 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.106 2.524 7.142 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.024 0.524 5.083 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.681 -0.085 7.478 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.065 -0.234 7.497 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.467 0.259 4.752 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.936 1.914 4.374 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.741 1.570 5.923 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.005 -2.418 7.043 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.958 -1.891 5.635 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.815 -1.741 5.616 1.00 0.00 H new ATOM 472 N ALA A 33 -2.009 3.806 4.850 1.00 0.00 N ATOM 473 CA ALA A 33 -2.170 4.916 3.912 1.00 0.00 C ATOM 474 C ALA A 33 -2.481 6.245 4.603 1.00 0.00 C ATOM 475 O ALA A 33 -2.790 7.222 3.916 1.00 0.00 O ATOM 476 CB ALA A 33 -3.262 4.575 2.889 1.00 0.00 C ATOM 0 H ALA A 33 -2.887 3.323 5.042 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.214 5.050 3.405 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.379 5.405 2.192 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.979 3.677 2.340 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.205 4.401 3.408 1.00 0.00 H new ATOM 482 N HIS A 34 -2.392 6.311 5.935 1.00 0.00 N ATOM 483 CA HIS A 34 -2.697 7.524 6.705 1.00 0.00 C ATOM 484 C HIS A 34 -4.138 7.989 6.380 1.00 0.00 C ATOM 485 O HIS A 34 -4.412 9.182 6.240 1.00 0.00 O ATOM 486 CB HIS A 34 -1.660 8.651 6.476 1.00 0.00 C ATOM 487 CG HIS A 34 -0.202 8.380 6.779 1.00 0.00 C ATOM 488 ND1 HIS A 34 0.770 9.354 6.809 1.00 0.00 N ATOM 489 CD2 HIS A 34 0.422 7.182 7.009 1.00 0.00 C ATOM 490 CE1 HIS A 34 1.952 8.763 7.045 1.00 0.00 C ATOM 491 NE2 HIS A 34 1.792 7.433 7.177 1.00 0.00 N ATOM 0 H HIS A 34 -2.105 5.521 6.513 1.00 0.00 H new ATOM 0 HA HIS A 34 -2.633 7.281 7.766 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.728 8.953 5.431 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.967 9.507 7.076 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.057 6.215 7.053 1.00 0.00 H new ATOM 0 HE1 HIS A 34 2.897 9.281 7.118 1.00 0.00 H new ATOM 0 HE2 HIS A 34 2.522 6.745 7.362 1.00 0.00 H new ATOM 499 N ASN A 35 -5.074 7.039 6.252 1.00 0.00 N ATOM 500 CA ASN A 35 -6.496 7.232 5.941 1.00 0.00 C ATOM 501 C ASN A 35 -6.775 7.784 4.533 1.00 0.00 C ATOM 502 O ASN A 35 -7.813 8.411 4.309 1.00 0.00 O ATOM 503 CB ASN A 35 -7.240 7.975 7.067 1.00 0.00 C ATOM 504 CG ASN A 35 -7.526 7.058 8.241 1.00 0.00 C ATOM 505 OD1 ASN A 35 -8.364 6.162 8.144 1.00 0.00 O ATOM 506 ND2 ASN A 35 -6.885 7.274 9.369 1.00 0.00 N ATOM 0 H ASN A 35 -4.843 6.053 6.371 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.925 6.231 5.903 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.642 8.822 7.403 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.177 8.378 6.682 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.079 6.693 10.185 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.194 8.022 9.428 1.00 0.00 H new ATOM 513 N ASN A 36 -5.865 7.570 3.579 1.00 0.00 N ATOM 514 CA ASN A 36 -6.015 7.999 2.186 1.00 0.00 C ATOM 515 C ASN A 36 -6.656 6.820 1.439 1.00 0.00 C ATOM 516 O ASN A 36 -6.038 5.757 1.317 1.00 0.00 O ATOM 517 CB ASN A 36 -4.649 8.398 1.615 1.00 0.00 C ATOM 518 CG ASN A 36 -4.694 8.835 0.157 1.00 0.00 C ATOM 519 OD1 ASN A 36 -5.434 8.293 -0.651 1.00 0.00 O ATOM 520 ND2 ASN A 36 -3.827 9.755 -0.239 1.00 0.00 N ATOM 0 H ASN A 36 -4.986 7.084 3.757 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.649 8.880 2.085 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.238 9.210 2.215 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.966 7.554 1.710 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.774 10.015 -1.224 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.213 10.203 0.441 1.00 0.00 H new ATOM 527 N ILE A 37 -7.922 6.956 1.029 1.00 0.00 N ATOM 528 CA ILE A 37 -8.657 5.907 0.327 1.00 0.00 C ATOM 529 C ILE A 37 -8.104 5.657 -1.080 1.00 0.00 C ATOM 530 O ILE A 37 -8.033 4.502 -1.487 1.00 0.00 O ATOM 531 CB ILE A 37 -10.180 6.189 0.363 1.00 0.00 C ATOM 532 CG1 ILE A 37 -11.035 5.068 -0.265 1.00 0.00 C ATOM 533 CG2 ILE A 37 -10.585 7.525 -0.276 1.00 0.00 C ATOM 534 CD1 ILE A 37 -11.085 3.778 0.562 1.00 0.00 C ATOM 0 H ILE A 37 -8.466 7.806 1.178 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.505 4.966 0.856 1.00 0.00 H new ATOM 0 HB ILE A 37 -10.389 6.237 1.432 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -12.051 5.436 -0.405 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -10.641 4.837 -1.255 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -11.666 7.647 -0.210 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -10.095 8.344 0.251 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -10.282 7.534 -1.323 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.706 3.042 0.051 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -10.076 3.382 0.680 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.509 3.991 1.543 1.00 0.00 H new ATOM 546 N GLU A 38 -7.722 6.698 -1.825 1.00 0.00 N ATOM 547 CA GLU A 38 -7.177 6.575 -3.185 1.00 0.00 C ATOM 548 C GLU A 38 -5.940 5.667 -3.166 1.00 0.00 C ATOM 549 O GLU A 38 -5.788 4.773 -4.002 1.00 0.00 O ATOM 550 CB GLU A 38 -6.808 7.968 -3.733 1.00 0.00 C ATOM 551 CG GLU A 38 -8.015 8.805 -4.182 1.00 0.00 C ATOM 552 CD GLU A 38 -8.379 8.498 -5.635 1.00 0.00 C ATOM 553 OE1 GLU A 38 -7.662 8.966 -6.546 1.00 0.00 O ATOM 554 OE2 GLU A 38 -9.351 7.731 -5.872 1.00 0.00 O ATOM 0 H GLU A 38 -7.782 7.663 -1.499 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.931 6.133 -3.836 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.265 8.517 -2.964 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.129 7.846 -4.577 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.868 8.596 -3.537 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.787 9.866 -4.076 1.00 0.00 H new ATOM 561 N MET A 39 -5.080 5.892 -2.176 1.00 0.00 N ATOM 562 CA MET A 39 -3.843 5.176 -1.924 1.00 0.00 C ATOM 563 C MET A 39 -4.171 3.734 -1.551 1.00 0.00 C ATOM 564 O MET A 39 -3.713 2.805 -2.216 1.00 0.00 O ATOM 565 CB MET A 39 -3.112 5.958 -0.827 1.00 0.00 C ATOM 566 CG MET A 39 -1.629 5.669 -0.596 1.00 0.00 C ATOM 567 SD MET A 39 -0.874 7.102 0.241 1.00 0.00 S ATOM 568 CE MET A 39 0.893 6.784 0.034 1.00 0.00 C ATOM 0 H MET A 39 -5.244 6.627 -1.488 1.00 0.00 H new ATOM 0 HA MET A 39 -3.190 5.112 -2.794 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.212 7.020 -1.053 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.635 5.781 0.113 1.00 0.00 H new ATOM 0 HG2 MET A 39 -1.510 4.772 0.011 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.129 5.480 -1.546 1.00 0.00 H new ATOM 0 HE1 MET A 39 1.464 7.537 0.576 1.00 0.00 H new ATOM 0 HE2 MET A 39 1.133 5.795 0.425 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.149 6.827 -1.025 1.00 0.00 H new ATOM 578 N ALA A 40 -5.014 3.533 -0.531 1.00 0.00 N ATOM 579 CA ALA A 40 -5.413 2.205 -0.080 1.00 0.00 C ATOM 580 C ALA A 40 -6.000 1.371 -1.227 1.00 0.00 C ATOM 581 O ALA A 40 -5.718 0.176 -1.326 1.00 0.00 O ATOM 582 CB ALA A 40 -6.412 2.340 1.073 1.00 0.00 C ATOM 0 H ALA A 40 -5.437 4.292 0.003 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.528 1.675 0.273 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.712 1.349 1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.946 2.880 1.897 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.290 2.888 0.731 1.00 0.00 H new ATOM 588 N LYS A 41 -6.809 1.987 -2.096 1.00 0.00 N ATOM 589 CA LYS A 41 -7.424 1.325 -3.242 1.00 0.00 C ATOM 590 C LYS A 41 -6.355 0.741 -4.159 1.00 0.00 C ATOM 591 O LYS A 41 -6.521 -0.406 -4.581 1.00 0.00 O ATOM 592 CB LYS A 41 -8.305 2.317 -4.012 1.00 0.00 C ATOM 593 CG LYS A 41 -9.679 2.518 -3.375 1.00 0.00 C ATOM 594 CD LYS A 41 -10.384 3.725 -3.998 1.00 0.00 C ATOM 595 CE LYS A 41 -11.860 3.720 -3.603 1.00 0.00 C ATOM 596 NZ LYS A 41 -12.682 2.896 -4.512 1.00 0.00 N ATOM 0 H LYS A 41 -7.056 2.974 -2.018 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.048 0.508 -2.880 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.794 3.278 -4.070 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.434 1.962 -5.034 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.286 1.623 -3.513 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.571 2.667 -2.301 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.911 4.648 -3.662 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.288 3.694 -5.083 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.960 3.343 -2.585 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.237 4.743 -3.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.675 2.924 -4.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.610 3.269 -5.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.341 1.914 -4.494 1.00 0.00 H new ATOM 610 N ASN A 42 -5.278 1.482 -4.449 1.00 0.00 N ATOM 611 CA ASN A 42 -4.204 0.992 -5.312 1.00 0.00 C ATOM 612 C ASN A 42 -3.507 -0.193 -4.660 1.00 0.00 C ATOM 613 O ASN A 42 -3.233 -1.184 -5.332 1.00 0.00 O ATOM 614 CB ASN A 42 -3.153 2.073 -5.644 1.00 0.00 C ATOM 615 CG ASN A 42 -3.484 2.802 -6.936 1.00 0.00 C ATOM 616 OD1 ASN A 42 -3.695 2.180 -7.974 1.00 0.00 O ATOM 617 ND2 ASN A 42 -3.478 4.121 -6.917 1.00 0.00 N ATOM 0 H ASN A 42 -5.130 2.427 -4.095 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.675 0.693 -6.248 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -3.098 2.791 -4.825 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.170 1.610 -5.729 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.651 4.644 -7.775 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.301 4.618 -6.044 1.00 0.00 H new ATOM 624 N ILE A 43 -3.221 -0.115 -3.357 1.00 0.00 N ATOM 625 CA ILE A 43 -2.542 -1.191 -2.629 1.00 0.00 C ATOM 626 C ILE A 43 -3.353 -2.472 -2.740 1.00 0.00 C ATOM 627 O ILE A 43 -2.813 -3.513 -3.112 1.00 0.00 O ATOM 628 CB ILE A 43 -2.280 -0.818 -1.152 1.00 0.00 C ATOM 629 CG1 ILE A 43 -1.471 0.485 -1.081 1.00 0.00 C ATOM 630 CG2 ILE A 43 -1.503 -1.931 -0.456 1.00 0.00 C ATOM 631 CD1 ILE A 43 -1.323 1.045 0.316 1.00 0.00 C ATOM 0 H ILE A 43 -3.453 0.693 -2.779 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.564 -1.348 -3.085 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.239 -0.683 -0.651 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.479 0.307 -1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.951 1.233 -1.712 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.325 -1.655 0.584 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.080 -2.855 -0.493 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.548 -2.079 -0.961 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.739 1.965 0.279 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.309 1.257 0.729 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.814 0.317 0.948 1.00 0.00 H new ATOM 643 N LEU A 44 -4.647 -2.389 -2.432 1.00 0.00 N ATOM 644 CA LEU A 44 -5.537 -3.535 -2.492 1.00 0.00 C ATOM 645 C LEU A 44 -5.610 -4.061 -3.921 1.00 0.00 C ATOM 646 O LEU A 44 -5.534 -5.268 -4.127 1.00 0.00 O ATOM 647 CB LEU A 44 -6.924 -3.157 -1.956 1.00 0.00 C ATOM 648 CG LEU A 44 -6.918 -2.852 -0.446 1.00 0.00 C ATOM 649 CD1 LEU A 44 -8.235 -2.185 -0.054 1.00 0.00 C ATOM 650 CD2 LEU A 44 -6.703 -4.108 0.406 1.00 0.00 C ATOM 0 H LEU A 44 -5.101 -1.525 -2.135 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.145 -4.332 -1.861 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.292 -2.285 -2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.620 -3.972 -2.155 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.080 -2.182 -0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.230 -1.970 1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.352 -1.255 -0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.064 -2.853 -0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.707 -3.837 1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.504 -4.821 0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.745 -4.560 0.152 1.00 0.00 H new ATOM 662 N ARG A 45 -5.716 -3.181 -4.920 1.00 0.00 N ATOM 663 CA ARG A 45 -5.785 -3.614 -6.308 1.00 0.00 C ATOM 664 C ARG A 45 -4.509 -4.324 -6.747 1.00 0.00 C ATOM 665 O ARG A 45 -4.610 -5.263 -7.528 1.00 0.00 O ATOM 666 CB ARG A 45 -6.105 -2.425 -7.225 1.00 0.00 C ATOM 667 CG ARG A 45 -6.449 -2.914 -8.638 1.00 0.00 C ATOM 668 CD ARG A 45 -6.753 -1.735 -9.559 1.00 0.00 C ATOM 669 NE ARG A 45 -7.000 -2.176 -10.937 1.00 0.00 N ATOM 670 CZ ARG A 45 -8.089 -2.770 -11.426 1.00 0.00 C ATOM 671 NH1 ARG A 45 -9.132 -3.051 -10.651 1.00 0.00 N ATOM 672 NH2 ARG A 45 -8.131 -3.077 -12.714 1.00 0.00 N ATOM 0 H ARG A 45 -5.755 -2.170 -4.789 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.594 -4.340 -6.390 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.941 -1.858 -6.816 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.251 -1.749 -7.266 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.617 -3.491 -9.041 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.310 -3.581 -8.598 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.625 -1.197 -9.187 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.917 -1.036 -9.544 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.246 -2.007 -11.603 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.110 -2.812 -9.660 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.954 -3.506 -11.048 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.337 -2.859 -13.316 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.957 -3.532 -13.103 1.00 0.00 H new ATOM 686 N GLU A 46 -3.334 -3.921 -6.273 1.00 0.00 N ATOM 687 CA GLU A 46 -2.064 -4.526 -6.652 1.00 0.00 C ATOM 688 C GLU A 46 -1.717 -5.754 -5.807 1.00 0.00 C ATOM 689 O GLU A 46 -1.722 -6.871 -6.327 1.00 0.00 O ATOM 690 CB GLU A 46 -0.955 -3.463 -6.612 1.00 0.00 C ATOM 691 CG GLU A 46 -0.990 -2.598 -7.883 1.00 0.00 C ATOM 692 CD GLU A 46 -0.181 -3.229 -9.023 1.00 0.00 C ATOM 693 OE1 GLU A 46 1.047 -2.963 -9.088 1.00 0.00 O ATOM 694 OE2 GLU A 46 -0.765 -3.929 -9.886 1.00 0.00 O ATOM 0 H GLU A 46 -3.237 -3.155 -5.606 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.157 -4.897 -7.673 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.080 -2.832 -5.732 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.017 -3.947 -6.521 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.023 -2.462 -8.202 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.593 -1.608 -7.660 1.00 0.00 H new ATOM 701 N PHE A 47 -1.408 -5.563 -4.525 1.00 0.00 N ATOM 702 CA PHE A 47 -1.010 -6.613 -3.592 1.00 0.00 C ATOM 703 C PHE A 47 -2.099 -7.640 -3.287 1.00 0.00 C ATOM 704 O PHE A 47 -1.839 -8.840 -3.344 1.00 0.00 O ATOM 705 CB PHE A 47 -0.521 -5.979 -2.281 1.00 0.00 C ATOM 706 CG PHE A 47 0.827 -5.273 -2.361 1.00 0.00 C ATOM 707 CD1 PHE A 47 0.928 -3.912 -2.724 1.00 0.00 C ATOM 708 CD2 PHE A 47 1.994 -5.976 -2.006 1.00 0.00 C ATOM 709 CE1 PHE A 47 2.188 -3.308 -2.860 1.00 0.00 C ATOM 710 CE2 PHE A 47 3.250 -5.366 -2.129 1.00 0.00 C ATOM 711 CZ PHE A 47 3.349 -4.049 -2.595 1.00 0.00 C ATOM 0 H PHE A 47 -1.429 -4.639 -4.093 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.211 -7.164 -4.088 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.269 -5.261 -1.943 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.460 -6.758 -1.521 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.033 -3.334 -2.898 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.921 -6.989 -1.638 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.263 -2.276 -3.168 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.143 -5.913 -1.864 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.320 -3.603 -2.750 1.00 0.00 H new ATOM 721 N SER A 48 -3.288 -7.168 -2.914 1.00 0.00 N ATOM 722 CA SER A 48 -4.446 -7.987 -2.553 1.00 0.00 C ATOM 723 C SER A 48 -5.311 -8.327 -3.780 1.00 0.00 C ATOM 724 O SER A 48 -6.466 -8.729 -3.632 1.00 0.00 O ATOM 725 CB SER A 48 -5.223 -7.188 -1.488 1.00 0.00 C ATOM 726 OG SER A 48 -6.104 -7.948 -0.697 1.00 0.00 O ATOM 0 H SER A 48 -3.479 -6.168 -2.852 1.00 0.00 H new ATOM 0 HA SER A 48 -4.136 -8.953 -2.155 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.506 -6.693 -0.833 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.792 -6.404 -1.988 1.00 0.00 H new ATOM 0 HG SER A 48 -6.626 -8.546 -1.271 1.00 0.00 H new ATOM 865 N LEU B 9 17.242 6.204 -2.648 1.00 0.00 N ATOM 866 CA LEU B 9 16.324 5.107 -2.328 1.00 0.00 C ATOM 867 C LEU B 9 16.850 3.735 -2.735 1.00 0.00 C ATOM 868 O LEU B 9 16.385 2.744 -2.181 1.00 0.00 O ATOM 869 CB LEU B 9 14.909 5.363 -2.873 1.00 0.00 C ATOM 870 CG LEU B 9 14.071 6.235 -1.913 1.00 0.00 C ATOM 871 CD1 LEU B 9 14.248 7.737 -2.170 1.00 0.00 C ATOM 872 CD2 LEU B 9 12.590 5.876 -2.018 1.00 0.00 C ATOM 0 HA LEU B 9 16.258 5.088 -1.240 1.00 0.00 H new ATOM 0 HB2 LEU B 9 14.977 5.854 -3.844 1.00 0.00 H new ATOM 0 HB3 LEU B 9 14.404 4.411 -3.033 1.00 0.00 H new ATOM 0 HG LEU B 9 14.436 6.025 -0.908 1.00 0.00 H new ATOM 0 HD11 LEU B 9 13.636 8.301 -1.466 1.00 0.00 H new ATOM 0 HD12 LEU B 9 15.296 8.008 -2.038 1.00 0.00 H new ATOM 0 HD13 LEU B 9 13.939 7.971 -3.189 1.00 0.00 H new ATOM 0 HD21 LEU B 9 12.015 6.501 -1.334 1.00 0.00 H new ATOM 0 HD22 LEU B 9 12.246 6.044 -3.039 1.00 0.00 H new ATOM 0 HD23 LEU B 9 12.450 4.827 -1.756 1.00 0.00 H new ATOM 884 N SER B 10 17.850 3.638 -3.613 1.00 0.00 N ATOM 885 CA SER B 10 18.386 2.345 -4.038 1.00 0.00 C ATOM 886 C SER B 10 18.926 1.536 -2.858 1.00 0.00 C ATOM 887 O SER B 10 18.619 0.351 -2.738 1.00 0.00 O ATOM 888 CB SER B 10 19.447 2.566 -5.109 1.00 0.00 C ATOM 889 OG SER B 10 18.844 3.258 -6.189 1.00 0.00 O ATOM 0 H SER B 10 18.306 4.442 -4.044 1.00 0.00 H new ATOM 0 HA SER B 10 17.576 1.752 -4.464 1.00 0.00 H new ATOM 0 HB2 SER B 10 20.281 3.141 -4.706 1.00 0.00 H new ATOM 0 HB3 SER B 10 19.852 1.612 -5.447 1.00 0.00 H new ATOM 0 HG SER B 10 19.510 3.413 -6.891 1.00 0.00 H new ATOM 895 N SER B 11 19.647 2.188 -1.943 1.00 0.00 N ATOM 896 CA SER B 11 20.211 1.542 -0.765 1.00 0.00 C ATOM 897 C SER B 11 19.117 0.990 0.151 1.00 0.00 C ATOM 898 O SER B 11 19.382 0.093 0.947 1.00 0.00 O ATOM 899 CB SER B 11 21.095 2.552 -0.031 1.00 0.00 C ATOM 900 OG SER B 11 21.968 3.178 -0.958 1.00 0.00 O ATOM 0 H SER B 11 19.855 3.185 -2.003 1.00 0.00 H new ATOM 0 HA SER B 11 20.814 0.688 -1.075 1.00 0.00 H new ATOM 0 HB2 SER B 11 20.476 3.300 0.465 1.00 0.00 H new ATOM 0 HB3 SER B 11 21.672 2.050 0.746 1.00 0.00 H new ATOM 0 HG SER B 11 22.533 3.826 -0.488 1.00 0.00 H new ATOM 906 N GLU B 12 17.887 1.493 0.028 1.00 0.00 N ATOM 907 CA GLU B 12 16.758 1.054 0.822 1.00 0.00 C ATOM 908 C GLU B 12 16.086 -0.134 0.122 1.00 0.00 C ATOM 909 O GLU B 12 15.498 -0.978 0.797 1.00 0.00 O ATOM 910 CB GLU B 12 15.785 2.207 1.081 1.00 0.00 C ATOM 911 CG GLU B 12 16.430 3.572 1.389 1.00 0.00 C ATOM 912 CD GLU B 12 17.512 3.509 2.469 1.00 0.00 C ATOM 913 OE1 GLU B 12 17.193 3.169 3.627 1.00 0.00 O ATOM 914 OE2 GLU B 12 18.685 3.813 2.144 1.00 0.00 O ATOM 0 H GLU B 12 17.653 2.228 -0.639 1.00 0.00 H new ATOM 0 HA GLU B 12 17.103 0.723 1.802 1.00 0.00 H new ATOM 0 HB2 GLU B 12 15.143 2.319 0.207 1.00 0.00 H new ATOM 0 HB3 GLU B 12 15.141 1.934 1.917 1.00 0.00 H new ATOM 0 HG2 GLU B 12 16.865 3.974 0.474 1.00 0.00 H new ATOM 0 HG3 GLU B 12 15.653 4.268 1.705 1.00 0.00 H new ATOM 921 N ILE B 13 16.148 -0.219 -1.219 1.00 0.00 N ATOM 922 CA ILE B 13 15.581 -1.349 -1.958 1.00 0.00 C ATOM 923 C ILE B 13 16.434 -2.549 -1.523 1.00 0.00 C ATOM 924 O ILE B 13 15.889 -3.600 -1.202 1.00 0.00 O ATOM 925 CB ILE B 13 15.606 -1.157 -3.499 1.00 0.00 C ATOM 926 CG1 ILE B 13 14.787 0.074 -3.945 1.00 0.00 C ATOM 927 CG2 ILE B 13 15.060 -2.411 -4.222 1.00 0.00 C ATOM 928 CD1 ILE B 13 14.996 0.437 -5.421 1.00 0.00 C ATOM 0 H ILE B 13 16.588 0.487 -1.810 1.00 0.00 H new ATOM 0 HA ILE B 13 14.522 -1.474 -1.732 1.00 0.00 H new ATOM 0 HB ILE B 13 16.649 -0.998 -3.773 1.00 0.00 H new ATOM 0 HG12 ILE B 13 13.728 -0.120 -3.772 1.00 0.00 H new ATOM 0 HG13 ILE B 13 15.060 0.928 -3.325 1.00 0.00 H new ATOM 0 HG21 ILE B 13 15.088 -2.251 -5.300 1.00 0.00 H new ATOM 0 HG22 ILE B 13 15.675 -3.274 -3.967 1.00 0.00 H new ATOM 0 HG23 ILE B 13 14.032 -2.593 -3.909 1.00 0.00 H new ATOM 0 HD11 ILE B 13 14.393 1.310 -5.670 1.00 0.00 H new ATOM 0 HD12 ILE B 13 16.048 0.662 -5.595 1.00 0.00 H new ATOM 0 HD13 ILE B 13 14.696 -0.402 -6.048 1.00 0.00 H new ATOM 940 N GLU B 14 17.762 -2.376 -1.463 1.00 0.00 N ATOM 941 CA GLU B 14 18.709 -3.402 -1.041 1.00 0.00 C ATOM 942 C GLU B 14 18.335 -3.884 0.367 1.00 0.00 C ATOM 943 O GLU B 14 18.291 -5.089 0.629 1.00 0.00 O ATOM 944 CB GLU B 14 20.135 -2.839 -1.043 1.00 0.00 C ATOM 945 CG GLU B 14 20.697 -2.530 -2.436 1.00 0.00 C ATOM 946 CD GLU B 14 22.059 -1.845 -2.330 1.00 0.00 C ATOM 947 OE1 GLU B 14 23.033 -2.527 -1.916 1.00 0.00 O ATOM 948 OE2 GLU B 14 22.162 -0.641 -2.641 1.00 0.00 O ATOM 0 H GLU B 14 18.212 -1.496 -1.714 1.00 0.00 H new ATOM 0 HA GLU B 14 18.668 -4.241 -1.736 1.00 0.00 H new ATOM 0 HB2 GLU B 14 20.152 -1.926 -0.448 1.00 0.00 H new ATOM 0 HB3 GLU B 14 20.794 -3.553 -0.550 1.00 0.00 H new ATOM 0 HG2 GLU B 14 20.792 -3.453 -3.008 1.00 0.00 H new ATOM 0 HG3 GLU B 14 20.003 -1.888 -2.979 1.00 0.00 H new ATOM 955 N ARG B 15 18.034 -2.952 1.283 1.00 0.00 N ATOM 956 CA ARG B 15 17.643 -3.285 2.654 1.00 0.00 C ATOM 957 C ARG B 15 16.362 -4.105 2.622 1.00 0.00 C ATOM 958 O ARG B 15 16.255 -5.102 3.339 1.00 0.00 O ATOM 959 CB ARG B 15 17.445 -2.011 3.496 1.00 0.00 C ATOM 960 CG ARG B 15 18.756 -1.253 3.748 1.00 0.00 C ATOM 961 CD ARG B 15 19.388 -1.560 5.108 1.00 0.00 C ATOM 962 NE ARG B 15 19.874 -2.947 5.195 1.00 0.00 N ATOM 963 CZ ARG B 15 21.097 -3.361 4.831 1.00 0.00 C ATOM 964 NH1 ARG B 15 21.935 -2.557 4.184 1.00 0.00 N ATOM 965 NH2 ARG B 15 21.494 -4.590 5.137 1.00 0.00 N ATOM 0 H ARG B 15 18.056 -1.950 1.092 1.00 0.00 H new ATOM 0 HA ARG B 15 18.438 -3.868 3.118 1.00 0.00 H new ATOM 0 HB2 ARG B 15 16.741 -1.351 2.988 1.00 0.00 H new ATOM 0 HB3 ARG B 15 16.997 -2.280 4.453 1.00 0.00 H new ATOM 0 HG2 ARG B 15 19.468 -1.503 2.961 1.00 0.00 H new ATOM 0 HG3 ARG B 15 18.566 -0.182 3.678 1.00 0.00 H new ATOM 0 HD2 ARG B 15 20.217 -0.875 5.285 1.00 0.00 H new ATOM 0 HD3 ARG B 15 18.655 -1.383 5.895 1.00 0.00 H new ATOM 0 HE ARG B 15 19.230 -3.648 5.561 1.00 0.00 H new ATOM 0 HH11 ARG B 15 21.653 -1.604 3.955 1.00 0.00 H new ATOM 0 HH12 ARG B 15 22.860 -2.893 3.917 1.00 0.00 H new ATOM 0 HH21 ARG B 15 20.870 -5.215 5.647 1.00 0.00 H new ATOM 0 HH22 ARG B 15 22.423 -4.909 4.862 1.00 0.00 H new ATOM 979 N LEU B 16 15.383 -3.695 1.813 1.00 0.00 N ATOM 980 CA LEU B 16 14.119 -4.402 1.682 1.00 0.00 C ATOM 981 C LEU B 16 14.339 -5.782 1.060 1.00 0.00 C ATOM 982 O LEU B 16 13.589 -6.697 1.391 1.00 0.00 O ATOM 983 CB LEU B 16 13.102 -3.570 0.887 1.00 0.00 C ATOM 984 CG LEU B 16 12.375 -2.516 1.743 1.00 0.00 C ATOM 985 CD1 LEU B 16 11.586 -1.559 0.850 1.00 0.00 C ATOM 986 CD2 LEU B 16 11.382 -3.179 2.708 1.00 0.00 C ATOM 0 H LEU B 16 15.450 -2.860 1.231 1.00 0.00 H new ATOM 0 HA LEU B 16 13.700 -4.552 2.677 1.00 0.00 H new ATOM 0 HB2 LEU B 16 13.615 -3.070 0.066 1.00 0.00 H new ATOM 0 HB3 LEU B 16 12.365 -4.238 0.442 1.00 0.00 H new ATOM 0 HG LEU B 16 13.136 -1.976 2.306 1.00 0.00 H new ATOM 0 HD11 LEU B 16 11.077 -0.820 1.469 1.00 0.00 H new ATOM 0 HD12 LEU B 16 12.268 -1.053 0.167 1.00 0.00 H new ATOM 0 HD13 LEU B 16 10.849 -2.121 0.276 1.00 0.00 H new ATOM 0 HD21 LEU B 16 10.883 -2.412 3.300 1.00 0.00 H new ATOM 0 HD22 LEU B 16 10.640 -3.738 2.139 1.00 0.00 H new ATOM 0 HD23 LEU B 16 11.918 -3.858 3.371 1.00 0.00 H new ATOM 998 N MET B 17 15.350 -5.986 0.205 1.00 0.00 N ATOM 999 CA MET B 17 15.593 -7.306 -0.369 1.00 0.00 C ATOM 1000 C MET B 17 15.932 -8.266 0.766 1.00 0.00 C ATOM 1001 O MET B 17 15.397 -9.374 0.791 1.00 0.00 O ATOM 1002 CB MET B 17 16.737 -7.329 -1.389 1.00 0.00 C ATOM 1003 CG MET B 17 16.486 -6.468 -2.624 1.00 0.00 C ATOM 1004 SD MET B 17 17.251 -7.157 -4.111 1.00 0.00 S ATOM 1005 CE MET B 17 16.322 -6.239 -5.353 1.00 0.00 C ATOM 0 H MET B 17 16.002 -5.262 -0.098 1.00 0.00 H new ATOM 0 HA MET B 17 14.688 -7.599 -0.902 1.00 0.00 H new ATOM 0 HB2 MET B 17 17.651 -6.989 -0.902 1.00 0.00 H new ATOM 0 HB3 MET B 17 16.908 -8.358 -1.705 1.00 0.00 H new ATOM 0 HG2 MET B 17 15.412 -6.370 -2.783 1.00 0.00 H new ATOM 0 HG3 MET B 17 16.875 -5.465 -2.450 1.00 0.00 H new ATOM 0 HE1 MET B 17 16.657 -6.532 -6.348 1.00 0.00 H new ATOM 0 HE2 MET B 17 15.259 -6.459 -5.249 1.00 0.00 H new ATOM 0 HE3 MET B 17 16.487 -5.170 -5.214 1.00 0.00 H new ATOM 1015 N SER B 18 16.761 -7.834 1.723 1.00 0.00 N ATOM 1016 CA SER B 18 17.165 -8.641 2.865 1.00 0.00 C ATOM 1017 C SER B 18 15.936 -9.097 3.683 1.00 0.00 C ATOM 1018 O SER B 18 15.995 -10.132 4.357 1.00 0.00 O ATOM 1019 CB SER B 18 18.217 -7.854 3.666 1.00 0.00 C ATOM 1020 OG SER B 18 18.742 -8.619 4.731 1.00 0.00 O ATOM 0 H SER B 18 17.172 -6.901 1.720 1.00 0.00 H new ATOM 0 HA SER B 18 17.635 -9.571 2.545 1.00 0.00 H new ATOM 0 HB2 SER B 18 19.027 -7.550 3.003 1.00 0.00 H new ATOM 0 HB3 SER B 18 17.768 -6.942 4.060 1.00 0.00 H new ATOM 0 HG SER B 18 19.408 -8.089 5.217 1.00 0.00 H new ATOM 1026 N GLN B 19 14.804 -8.374 3.663 1.00 0.00 N ATOM 1027 CA GLN B 19 13.601 -8.794 4.396 1.00 0.00 C ATOM 1028 C GLN B 19 12.999 -10.063 3.761 1.00 0.00 C ATOM 1029 O GLN B 19 12.153 -10.696 4.387 1.00 0.00 O ATOM 1030 CB GLN B 19 12.543 -7.680 4.427 1.00 0.00 C ATOM 1031 CG GLN B 19 12.816 -6.557 5.440 1.00 0.00 C ATOM 1032 CD GLN B 19 12.522 -6.904 6.905 1.00 0.00 C ATOM 1033 OE1 GLN B 19 12.847 -6.123 7.798 1.00 0.00 O ATOM 1034 NE2 GLN B 19 11.876 -8.019 7.219 1.00 0.00 N ATOM 0 H GLN B 19 14.698 -7.499 3.149 1.00 0.00 H new ATOM 0 HA GLN B 19 13.901 -9.010 5.421 1.00 0.00 H new ATOM 0 HB2 GLN B 19 12.469 -7.242 3.432 1.00 0.00 H new ATOM 0 HB3 GLN B 19 11.574 -8.125 4.652 1.00 0.00 H new ATOM 0 HG2 GLN B 19 13.862 -6.263 5.357 1.00 0.00 H new ATOM 0 HG3 GLN B 19 12.218 -5.689 5.163 1.00 0.00 H new ATOM 0 HE21 GLN B 19 11.602 -8.673 6.486 1.00 0.00 H new ATOM 0 HE22 GLN B 19 11.653 -8.222 8.193 1.00 0.00 H new ATOM 1043 N GLY B 20 13.432 -10.432 2.550 1.00 0.00 N ATOM 1044 CA GLY B 20 13.002 -11.601 1.798 1.00 0.00 C ATOM 1045 C GLY B 20 11.977 -11.303 0.707 1.00 0.00 C ATOM 1046 O GLY B 20 11.624 -12.211 -0.043 1.00 0.00 O ATOM 0 H GLY B 20 14.132 -9.887 2.046 1.00 0.00 H new ATOM 0 HA2 GLY B 20 13.876 -12.067 1.342 1.00 0.00 H new ATOM 0 HA3 GLY B 20 12.578 -12.328 2.490 1.00 0.00 H new ATOM 1050 N TYR B 21 11.517 -10.056 0.576 1.00 0.00 N ATOM 1051 CA TYR B 21 10.527 -9.697 -0.430 1.00 0.00 C ATOM 1052 C TYR B 21 11.091 -9.753 -1.850 1.00 0.00 C ATOM 1053 O TYR B 21 12.313 -9.747 -2.029 1.00 0.00 O ATOM 1054 CB TYR B 21 10.035 -8.271 -0.191 1.00 0.00 C ATOM 1055 CG TYR B 21 9.613 -7.905 1.220 1.00 0.00 C ATOM 1056 CD1 TYR B 21 8.602 -8.622 1.887 1.00 0.00 C ATOM 1057 CD2 TYR B 21 10.221 -6.808 1.857 1.00 0.00 C ATOM 1058 CE1 TYR B 21 8.232 -8.270 3.199 1.00 0.00 C ATOM 1059 CE2 TYR B 21 9.844 -6.445 3.161 1.00 0.00 C ATOM 1060 CZ TYR B 21 8.859 -7.186 3.847 1.00 0.00 C ATOM 1061 OH TYR B 21 8.527 -6.846 5.125 1.00 0.00 O ATOM 0 H TYR B 21 11.820 -9.277 1.161 1.00 0.00 H new ATOM 0 HA TYR B 21 9.718 -10.422 -0.339 1.00 0.00 H new ATOM 0 HB2 TYR B 21 10.827 -7.586 -0.494 1.00 0.00 H new ATOM 0 HB3 TYR B 21 9.188 -8.092 -0.853 1.00 0.00 H new ATOM 0 HD1 TYR B 21 8.109 -9.445 1.391 1.00 0.00 H new ATOM 0 HD2 TYR B 21 10.982 -6.242 1.341 1.00 0.00 H new ATOM 0 HE1 TYR B 21 7.465 -8.832 3.711 1.00 0.00 H new ATOM 0 HE2 TYR B 21 10.310 -5.596 3.639 1.00 0.00 H new ATOM 0 HH TYR B 21 9.062 -6.075 5.408 1.00 0.00 H new ATOM 1071 N SER B 22 10.208 -9.745 -2.848 1.00 0.00 N ATOM 1072 CA SER B 22 10.533 -9.755 -4.272 1.00 0.00 C ATOM 1073 C SER B 22 10.890 -8.333 -4.729 1.00 0.00 C ATOM 1074 O SER B 22 10.354 -7.370 -4.180 1.00 0.00 O ATOM 1075 CB SER B 22 9.284 -10.203 -5.037 1.00 0.00 C ATOM 1076 OG SER B 22 8.953 -11.552 -4.781 1.00 0.00 O ATOM 0 H SER B 22 9.202 -9.731 -2.677 1.00 0.00 H new ATOM 0 HA SER B 22 11.374 -10.423 -4.458 1.00 0.00 H new ATOM 0 HB2 SER B 22 8.444 -9.566 -4.760 1.00 0.00 H new ATOM 0 HB3 SER B 22 9.448 -10.068 -6.106 1.00 0.00 H new ATOM 0 HG SER B 22 8.150 -11.794 -5.288 1.00 0.00 H new ATOM 1082 N TYR B 23 11.732 -8.166 -5.762 1.00 0.00 N ATOM 1083 CA TYR B 23 12.111 -6.831 -6.255 1.00 0.00 C ATOM 1084 C TYR B 23 10.874 -6.041 -6.676 1.00 0.00 C ATOM 1085 O TYR B 23 10.726 -4.868 -6.325 1.00 0.00 O ATOM 1086 CB TYR B 23 13.082 -6.921 -7.443 1.00 0.00 C ATOM 1087 CG TYR B 23 13.344 -5.576 -8.113 1.00 0.00 C ATOM 1088 CD1 TYR B 23 14.026 -4.563 -7.414 1.00 0.00 C ATOM 1089 CD2 TYR B 23 12.871 -5.311 -9.416 1.00 0.00 C ATOM 1090 CE1 TYR B 23 14.257 -3.312 -8.010 1.00 0.00 C ATOM 1091 CE2 TYR B 23 13.080 -4.049 -10.010 1.00 0.00 C ATOM 1092 CZ TYR B 23 13.779 -3.040 -9.309 1.00 0.00 C ATOM 1093 OH TYR B 23 13.997 -1.819 -9.873 1.00 0.00 O ATOM 0 H TYR B 23 12.163 -8.937 -6.272 1.00 0.00 H new ATOM 0 HA TYR B 23 12.612 -6.317 -5.435 1.00 0.00 H new ATOM 0 HB2 TYR B 23 14.028 -7.338 -7.099 1.00 0.00 H new ATOM 0 HB3 TYR B 23 12.678 -7.614 -8.181 1.00 0.00 H new ATOM 0 HD1 TYR B 23 14.375 -4.749 -6.409 1.00 0.00 H new ATOM 0 HD2 TYR B 23 12.345 -6.080 -9.962 1.00 0.00 H new ATOM 0 HE1 TYR B 23 14.804 -2.553 -7.470 1.00 0.00 H new ATOM 0 HE2 TYR B 23 12.705 -3.853 -11.004 1.00 0.00 H new ATOM 0 HH TYR B 23 13.604 -1.798 -10.770 1.00 0.00 H new ATOM 1103 N GLN B 24 9.988 -6.712 -7.414 1.00 0.00 N ATOM 1104 CA GLN B 24 8.755 -6.154 -7.934 1.00 0.00 C ATOM 1105 C GLN B 24 7.905 -5.556 -6.820 1.00 0.00 C ATOM 1106 O GLN B 24 7.512 -4.397 -6.914 1.00 0.00 O ATOM 1107 CB GLN B 24 7.983 -7.240 -8.681 1.00 0.00 C ATOM 1108 CG GLN B 24 8.704 -7.700 -9.952 1.00 0.00 C ATOM 1109 CD GLN B 24 7.992 -8.911 -10.530 1.00 0.00 C ATOM 1110 OE1 GLN B 24 6.910 -8.803 -11.102 1.00 0.00 O ATOM 1111 NE2 GLN B 24 8.550 -10.092 -10.362 1.00 0.00 N ATOM 0 H GLN B 24 10.121 -7.690 -7.670 1.00 0.00 H new ATOM 0 HA GLN B 24 8.999 -5.346 -8.624 1.00 0.00 H new ATOM 0 HB2 GLN B 24 7.834 -8.095 -8.021 1.00 0.00 H new ATOM 0 HB3 GLN B 24 6.994 -6.864 -8.943 1.00 0.00 H new ATOM 0 HG2 GLN B 24 8.723 -6.893 -10.684 1.00 0.00 H new ATOM 0 HG3 GLN B 24 9.741 -7.949 -9.725 1.00 0.00 H new ATOM 0 HE21 GLN B 24 9.449 -10.168 -9.885 1.00 0.00 H new ATOM 0 HE22 GLN B 24 8.084 -10.930 -10.708 1.00 0.00 H new ATOM 1120 N ASP B 25 7.662 -6.321 -5.755 1.00 0.00 N ATOM 1121 CA ASP B 25 6.858 -5.893 -4.606 1.00 0.00 C ATOM 1122 C ASP B 25 7.443 -4.633 -3.981 1.00 0.00 C ATOM 1123 O ASP B 25 6.690 -3.751 -3.570 1.00 0.00 O ATOM 1124 CB ASP B 25 6.711 -7.017 -3.561 1.00 0.00 C ATOM 1125 CG ASP B 25 5.425 -7.818 -3.769 1.00 0.00 C ATOM 1126 OD1 ASP B 25 5.079 -8.054 -4.948 1.00 0.00 O ATOM 1127 OD2 ASP B 25 4.762 -8.145 -2.757 1.00 0.00 O ATOM 0 H ASP B 25 8.023 -7.271 -5.664 1.00 0.00 H new ATOM 0 HA ASP B 25 5.857 -5.661 -4.970 1.00 0.00 H new ATOM 0 HB2 ASP B 25 7.570 -7.685 -3.622 1.00 0.00 H new ATOM 0 HB3 ASP B 25 6.713 -6.586 -2.560 1.00 0.00 H new ATOM 1132 N ILE B 26 8.772 -4.508 -3.930 1.00 0.00 N ATOM 1133 CA ILE B 26 9.408 -3.326 -3.362 1.00 0.00 C ATOM 1134 C ILE B 26 9.021 -2.121 -4.215 1.00 0.00 C ATOM 1135 O ILE B 26 8.610 -1.095 -3.674 1.00 0.00 O ATOM 1136 CB ILE B 26 10.939 -3.489 -3.231 1.00 0.00 C ATOM 1137 CG1 ILE B 26 11.283 -4.673 -2.306 1.00 0.00 C ATOM 1138 CG2 ILE B 26 11.547 -2.187 -2.682 1.00 0.00 C ATOM 1139 CD1 ILE B 26 12.734 -5.152 -2.381 1.00 0.00 C ATOM 0 H ILE B 26 9.424 -5.212 -4.276 1.00 0.00 H new ATOM 0 HA ILE B 26 9.053 -3.176 -2.342 1.00 0.00 H new ATOM 0 HB ILE B 26 11.359 -3.696 -4.215 1.00 0.00 H new ATOM 0 HG12 ILE B 26 11.063 -4.387 -1.277 1.00 0.00 H new ATOM 0 HG13 ILE B 26 10.627 -5.508 -2.551 1.00 0.00 H new ATOM 0 HG21 ILE B 26 12.627 -2.301 -2.589 1.00 0.00 H new ATOM 0 HG22 ILE B 26 11.326 -1.366 -3.364 1.00 0.00 H new ATOM 0 HG23 ILE B 26 11.119 -1.970 -1.703 1.00 0.00 H new ATOM 0 HD11 ILE B 26 12.878 -5.987 -1.695 1.00 0.00 H new ATOM 0 HD12 ILE B 26 12.958 -5.475 -3.398 1.00 0.00 H new ATOM 0 HD13 ILE B 26 13.401 -4.336 -2.104 1.00 0.00 H new ATOM 1151 N GLN B 27 9.154 -2.236 -5.539 1.00 0.00 N ATOM 1152 CA GLN B 27 8.808 -1.148 -6.442 1.00 0.00 C ATOM 1153 C GLN B 27 7.317 -0.819 -6.338 1.00 0.00 C ATOM 1154 O GLN B 27 6.971 0.355 -6.235 1.00 0.00 O ATOM 1155 CB GLN B 27 9.201 -1.463 -7.896 1.00 0.00 C ATOM 1156 CG GLN B 27 10.674 -1.866 -8.115 1.00 0.00 C ATOM 1157 CD GLN B 27 11.677 -1.049 -7.300 1.00 0.00 C ATOM 1158 OE1 GLN B 27 12.031 0.079 -7.636 1.00 0.00 O ATOM 1159 NE2 GLN B 27 12.192 -1.618 -6.221 1.00 0.00 N ATOM 0 H GLN B 27 9.500 -3.075 -6.005 1.00 0.00 H new ATOM 0 HA GLN B 27 9.380 -0.272 -6.137 1.00 0.00 H new ATOM 0 HB2 GLN B 27 8.564 -2.270 -8.259 1.00 0.00 H new ATOM 0 HB3 GLN B 27 8.987 -0.588 -8.509 1.00 0.00 H new ATOM 0 HG2 GLN B 27 10.792 -2.920 -7.863 1.00 0.00 H new ATOM 0 HG3 GLN B 27 10.913 -1.763 -9.173 1.00 0.00 H new ATOM 0 HE21 GLN B 27 11.894 -2.554 -5.947 1.00 0.00 H new ATOM 0 HE22 GLN B 27 12.886 -1.120 -5.664 1.00 0.00 H new ATOM 1168 N LYS B 28 6.437 -1.829 -6.330 1.00 0.00 N ATOM 1169 CA LYS B 28 4.990 -1.634 -6.236 1.00 0.00 C ATOM 1170 C LYS B 28 4.647 -0.875 -4.954 1.00 0.00 C ATOM 1171 O LYS B 28 3.898 0.097 -5.008 1.00 0.00 O ATOM 1172 CB LYS B 28 4.228 -2.977 -6.315 1.00 0.00 C ATOM 1173 CG LYS B 28 4.250 -3.600 -7.726 1.00 0.00 C ATOM 1174 CD LYS B 28 3.505 -4.945 -7.833 1.00 0.00 C ATOM 1175 CE LYS B 28 4.206 -6.052 -7.036 1.00 0.00 C ATOM 1176 NZ LYS B 28 3.674 -7.411 -7.284 1.00 0.00 N ATOM 0 H LYS B 28 6.714 -2.809 -6.389 1.00 0.00 H new ATOM 0 HA LYS B 28 4.669 -1.037 -7.090 1.00 0.00 H new ATOM 0 HB2 LYS B 28 4.667 -3.680 -5.607 1.00 0.00 H new ATOM 0 HB3 LYS B 28 3.194 -2.820 -6.009 1.00 0.00 H new ATOM 0 HG2 LYS B 28 3.807 -2.895 -8.429 1.00 0.00 H new ATOM 0 HG3 LYS B 28 5.286 -3.746 -8.031 1.00 0.00 H new ATOM 0 HD2 LYS B 28 2.485 -4.825 -7.468 1.00 0.00 H new ATOM 0 HD3 LYS B 28 3.436 -5.240 -8.880 1.00 0.00 H new ATOM 0 HE2 LYS B 28 5.269 -6.041 -7.278 1.00 0.00 H new ATOM 0 HE3 LYS B 28 4.119 -5.829 -5.973 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 4.011 -8.057 -6.542 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 2.634 -7.384 -7.274 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 4.002 -7.748 -8.211 1.00 0.00 H new ATOM 1190 N ALA B 29 5.186 -1.277 -3.800 1.00 0.00 N ATOM 1191 CA ALA B 29 4.893 -0.572 -2.558 1.00 0.00 C ATOM 1192 C ALA B 29 5.450 0.846 -2.606 1.00 0.00 C ATOM 1193 O ALA B 29 4.797 1.753 -2.101 1.00 0.00 O ATOM 1194 CB ALA B 29 5.476 -1.307 -1.349 1.00 0.00 C ATOM 0 H ALA B 29 5.816 -2.073 -3.703 1.00 0.00 H new ATOM 0 HA ALA B 29 3.809 -0.534 -2.451 1.00 0.00 H new ATOM 0 HB1 ALA B 29 5.240 -0.755 -0.439 1.00 0.00 H new ATOM 0 HB2 ALA B 29 5.046 -2.307 -1.289 1.00 0.00 H new ATOM 0 HB3 ALA B 29 6.558 -1.383 -1.457 1.00 0.00 H new ATOM 1200 N LEU B 30 6.639 1.052 -3.185 1.00 0.00 N ATOM 1201 CA LEU B 30 7.253 2.369 -3.266 1.00 0.00 C ATOM 1202 C LEU B 30 6.388 3.319 -4.077 1.00 0.00 C ATOM 1203 O LEU B 30 6.077 4.396 -3.576 1.00 0.00 O ATOM 1204 CB LEU B 30 8.673 2.303 -3.858 1.00 0.00 C ATOM 1205 CG LEU B 30 9.754 1.959 -2.818 1.00 0.00 C ATOM 1206 CD1 LEU B 30 11.077 1.665 -3.534 1.00 0.00 C ATOM 1207 CD2 LEU B 30 9.972 3.119 -1.833 1.00 0.00 C ATOM 0 H LEU B 30 7.195 0.309 -3.607 1.00 0.00 H new ATOM 0 HA LEU B 30 7.335 2.750 -2.248 1.00 0.00 H new ATOM 0 HB2 LEU B 30 8.693 1.557 -4.652 1.00 0.00 H new ATOM 0 HB3 LEU B 30 8.913 3.263 -4.316 1.00 0.00 H new ATOM 0 HG LEU B 30 9.418 1.085 -2.260 1.00 0.00 H new ATOM 0 HD11 LEU B 30 11.843 1.421 -2.798 1.00 0.00 H new ATOM 0 HD12 LEU B 30 10.944 0.822 -4.212 1.00 0.00 H new ATOM 0 HD13 LEU B 30 11.386 2.542 -4.102 1.00 0.00 H new ATOM 0 HD21 LEU B 30 10.741 2.844 -1.112 1.00 0.00 H new ATOM 0 HD22 LEU B 30 10.289 4.007 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU B 30 9.041 3.330 -1.307 1.00 0.00 H new ATOM 1219 N VAL B 31 5.991 2.945 -5.293 1.00 0.00 N ATOM 1220 CA VAL B 31 5.175 3.813 -6.132 1.00 0.00 C ATOM 1221 C VAL B 31 3.837 4.141 -5.461 1.00 0.00 C ATOM 1222 O VAL B 31 3.481 5.316 -5.362 1.00 0.00 O ATOM 1223 CB VAL B 31 5.094 3.251 -7.566 1.00 0.00 C ATOM 1224 CG1 VAL B 31 4.337 1.928 -7.717 1.00 0.00 C ATOM 1225 CG2 VAL B 31 4.475 4.272 -8.524 1.00 0.00 C ATOM 0 H VAL B 31 6.223 2.046 -5.716 1.00 0.00 H new ATOM 0 HA VAL B 31 5.652 4.787 -6.242 1.00 0.00 H new ATOM 0 HB VAL B 31 6.134 3.045 -7.818 1.00 0.00 H new ATOM 0 HG11 VAL B 31 4.341 1.624 -8.764 1.00 0.00 H new ATOM 0 HG12 VAL B 31 4.822 1.160 -7.114 1.00 0.00 H new ATOM 0 HG13 VAL B 31 3.308 2.057 -7.380 1.00 0.00 H new ATOM 0 HG21 VAL B 31 4.430 3.849 -9.528 1.00 0.00 H new ATOM 0 HG22 VAL B 31 3.468 4.520 -8.190 1.00 0.00 H new ATOM 0 HG23 VAL B 31 5.086 5.175 -8.538 1.00 0.00 H new ATOM 1235 N ILE B 32 3.115 3.143 -4.937 1.00 0.00 N ATOM 1236 CA ILE B 32 1.832 3.399 -4.281 1.00 0.00 C ATOM 1237 C ILE B 32 2.055 4.281 -3.036 1.00 0.00 C ATOM 1238 O ILE B 32 1.194 5.099 -2.711 1.00 0.00 O ATOM 1239 CB ILE B 32 1.073 2.078 -4.016 1.00 0.00 C ATOM 1240 CG1 ILE B 32 0.886 1.216 -5.296 1.00 0.00 C ATOM 1241 CG2 ILE B 32 -0.310 2.434 -3.457 1.00 0.00 C ATOM 1242 CD1 ILE B 32 0.422 -0.226 -5.025 1.00 0.00 C ATOM 0 H ILE B 32 3.395 2.162 -4.955 1.00 0.00 H new ATOM 0 HA ILE B 32 1.174 3.966 -4.939 1.00 0.00 H new ATOM 0 HB ILE B 32 1.663 1.487 -3.316 1.00 0.00 H new ATOM 0 HG12 ILE B 32 0.159 1.703 -5.945 1.00 0.00 H new ATOM 0 HG13 ILE B 32 1.830 1.186 -5.841 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -0.869 1.519 -3.260 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -0.194 2.995 -2.530 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -0.851 3.041 -4.183 1.00 0.00 H new ATOM 0 HD11 ILE B 32 0.316 -0.758 -5.970 1.00 0.00 H new ATOM 0 HD12 ILE B 32 1.159 -0.734 -4.403 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -0.538 -0.208 -4.509 1.00 0.00 H new ATOM 1254 N ALA B 33 3.209 4.177 -2.361 1.00 0.00 N ATOM 1255 CA ALA B 33 3.549 4.972 -1.190 1.00 0.00 C ATOM 1256 C ALA B 33 4.068 6.366 -1.584 1.00 0.00 C ATOM 1257 O ALA B 33 4.507 7.117 -0.705 1.00 0.00 O ATOM 1258 CB ALA B 33 4.606 4.253 -0.348 1.00 0.00 C ATOM 0 H ALA B 33 3.943 3.521 -2.627 1.00 0.00 H new ATOM 0 HA ALA B 33 2.638 5.098 -0.605 1.00 0.00 H new ATOM 0 HB1 ALA B 33 4.850 4.859 0.524 1.00 0.00 H new ATOM 0 HB2 ALA B 33 4.217 3.288 -0.022 1.00 0.00 H new ATOM 0 HB3 ALA B 33 5.504 4.099 -0.946 1.00 0.00 H new ATOM 1264 N HIS B 34 4.001 6.749 -2.868 1.00 0.00 N ATOM 1265 CA HIS B 34 4.497 8.021 -3.392 1.00 0.00 C ATOM 1266 C HIS B 34 5.981 8.148 -2.999 1.00 0.00 C ATOM 1267 O HIS B 34 6.432 9.188 -2.514 1.00 0.00 O ATOM 1268 CB HIS B 34 3.651 9.216 -2.917 1.00 0.00 C ATOM 1269 CG HIS B 34 2.200 9.276 -3.313 1.00 0.00 C ATOM 1270 ND1 HIS B 34 1.308 10.203 -2.820 1.00 0.00 N ATOM 1271 CD2 HIS B 34 1.569 8.572 -4.305 1.00 0.00 C ATOM 1272 CE1 HIS B 34 0.175 10.104 -3.525 1.00 0.00 C ATOM 1273 NE2 HIS B 34 0.288 9.130 -4.447 1.00 0.00 N ATOM 0 H HIS B 34 3.586 6.160 -3.590 1.00 0.00 H new ATOM 0 HA HIS B 34 4.409 8.034 -4.478 1.00 0.00 H new ATOM 0 HB2 HIS B 34 3.698 9.243 -1.828 1.00 0.00 H new ATOM 0 HB3 HIS B 34 4.131 10.125 -3.279 1.00 0.00 H new ATOM 0 HD2 HIS B 34 1.978 7.747 -4.869 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -0.702 10.716 -3.376 1.00 0.00 H new ATOM 0 HE2 HIS B 34 -0.423 8.850 -5.122 1.00 0.00 H new ATOM 1281 N ASN B 35 6.732 7.055 -3.152 1.00 0.00 N ATOM 1282 CA ASN B 35 8.148 6.859 -2.848 1.00 0.00 C ATOM 1283 C ASN B 35 8.469 6.911 -1.348 1.00 0.00 C ATOM 1284 O ASN B 35 9.650 6.970 -1.003 1.00 0.00 O ATOM 1285 CB ASN B 35 9.065 7.796 -3.655 1.00 0.00 C ATOM 1286 CG ASN B 35 9.166 7.435 -5.121 1.00 0.00 C ATOM 1287 OD1 ASN B 35 9.733 6.398 -5.467 1.00 0.00 O ATOM 1288 ND2 ASN B 35 8.696 8.295 -6.001 1.00 0.00 N ATOM 0 H ASN B 35 6.321 6.201 -3.530 1.00 0.00 H new ATOM 0 HA ASN B 35 8.363 5.840 -3.170 1.00 0.00 H new ATOM 0 HB2 ASN B 35 8.695 8.817 -3.566 1.00 0.00 H new ATOM 0 HB3 ASN B 35 10.063 7.780 -3.216 1.00 0.00 H new ATOM 0 HD21 ASN B 35 8.797 8.110 -6.999 1.00 0.00 H new ATOM 0 HD22 ASN B 35 8.231 9.146 -5.684 1.00 0.00 H new ATOM 1295 N ASN B 36 7.493 6.942 -0.431 1.00 0.00 N ATOM 1296 CA ASN B 36 7.822 6.975 0.999 1.00 0.00 C ATOM 1297 C ASN B 36 8.286 5.571 1.376 1.00 0.00 C ATOM 1298 O ASN B 36 7.478 4.648 1.454 1.00 0.00 O ATOM 1299 CB ASN B 36 6.662 7.466 1.875 1.00 0.00 C ATOM 1300 CG ASN B 36 7.009 7.505 3.366 1.00 0.00 C ATOM 1301 OD1 ASN B 36 7.903 6.816 3.844 1.00 0.00 O ATOM 1302 ND2 ASN B 36 6.287 8.287 4.147 1.00 0.00 N ATOM 0 H ASN B 36 6.496 6.945 -0.645 1.00 0.00 H new ATOM 0 HA ASN B 36 8.613 7.703 1.182 1.00 0.00 H new ATOM 0 HB2 ASN B 36 6.367 8.464 1.551 1.00 0.00 H new ATOM 0 HB3 ASN B 36 5.801 6.815 1.726 1.00 0.00 H new ATOM 0 HD21 ASN B 36 6.473 8.318 5.149 1.00 0.00 H new ATOM 0 HD22 ASN B 36 5.543 8.860 3.748 1.00 0.00 H new ATOM 1309 N ILE B 37 9.590 5.404 1.585 1.00 0.00 N ATOM 1310 CA ILE B 37 10.208 4.135 1.933 1.00 0.00 C ATOM 1311 C ILE B 37 9.671 3.545 3.242 1.00 0.00 C ATOM 1312 O ILE B 37 9.497 2.333 3.324 1.00 0.00 O ATOM 1313 CB ILE B 37 11.744 4.307 1.933 1.00 0.00 C ATOM 1314 CG1 ILE B 37 12.487 2.985 2.198 1.00 0.00 C ATOM 1315 CG2 ILE B 37 12.252 5.343 2.952 1.00 0.00 C ATOM 1316 CD1 ILE B 37 12.341 1.949 1.076 1.00 0.00 C ATOM 0 H ILE B 37 10.260 6.170 1.514 1.00 0.00 H new ATOM 0 HA ILE B 37 9.939 3.397 1.177 1.00 0.00 H new ATOM 0 HB ILE B 37 11.962 4.665 0.927 1.00 0.00 H new ATOM 0 HG12 ILE B 37 13.546 3.199 2.345 1.00 0.00 H new ATOM 0 HG13 ILE B 37 12.117 2.553 3.128 1.00 0.00 H new ATOM 0 HG21 ILE B 37 13.338 5.408 2.894 1.00 0.00 H new ATOM 0 HG22 ILE B 37 11.817 6.317 2.728 1.00 0.00 H new ATOM 0 HG23 ILE B 37 11.960 5.038 3.957 1.00 0.00 H new ATOM 0 HD11 ILE B 37 12.893 1.047 1.340 1.00 0.00 H new ATOM 0 HD12 ILE B 37 11.287 1.703 0.942 1.00 0.00 H new ATOM 0 HD13 ILE B 37 12.738 2.360 0.148 1.00 0.00 H new ATOM 1328 N GLU B 38 9.424 4.356 4.268 1.00 0.00 N ATOM 1329 CA GLU B 38 8.918 3.886 5.559 1.00 0.00 C ATOM 1330 C GLU B 38 7.485 3.407 5.387 1.00 0.00 C ATOM 1331 O GLU B 38 7.121 2.317 5.832 1.00 0.00 O ATOM 1332 CB GLU B 38 9.053 4.975 6.630 1.00 0.00 C ATOM 1333 CG GLU B 38 10.541 5.350 6.753 1.00 0.00 C ATOM 1334 CD GLU B 38 10.881 6.188 7.981 1.00 0.00 C ATOM 1335 OE1 GLU B 38 11.126 5.595 9.058 1.00 0.00 O ATOM 1336 OE2 GLU B 38 11.002 7.426 7.822 1.00 0.00 O ATOM 0 H GLU B 38 9.570 5.365 4.229 1.00 0.00 H new ATOM 0 HA GLU B 38 9.516 3.044 5.907 1.00 0.00 H new ATOM 0 HB2 GLU B 38 8.462 5.850 6.359 1.00 0.00 H new ATOM 0 HB3 GLU B 38 8.671 4.617 7.586 1.00 0.00 H new ATOM 0 HG2 GLU B 38 11.133 4.435 6.778 1.00 0.00 H new ATOM 0 HG3 GLU B 38 10.840 5.899 5.860 1.00 0.00 H new ATOM 1343 N MET B 39 6.685 4.193 4.675 1.00 0.00 N ATOM 1344 CA MET B 39 5.302 3.871 4.388 1.00 0.00 C ATOM 1345 C MET B 39 5.292 2.551 3.622 1.00 0.00 C ATOM 1346 O MET B 39 4.554 1.635 3.974 1.00 0.00 O ATOM 1347 CB MET B 39 4.718 5.027 3.592 1.00 0.00 C ATOM 1348 CG MET B 39 3.206 5.107 3.549 1.00 0.00 C ATOM 1349 SD MET B 39 2.694 6.797 3.108 1.00 0.00 S ATOM 1350 CE MET B 39 0.935 6.740 3.506 1.00 0.00 C ATOM 0 H MET B 39 6.988 5.082 4.278 1.00 0.00 H new ATOM 0 HA MET B 39 4.692 3.744 5.283 1.00 0.00 H new ATOM 0 HB2 MET B 39 5.100 5.959 4.009 1.00 0.00 H new ATOM 0 HB3 MET B 39 5.088 4.961 2.569 1.00 0.00 H new ATOM 0 HG2 MET B 39 2.815 4.396 2.821 1.00 0.00 H new ATOM 0 HG3 MET B 39 2.790 4.832 4.518 1.00 0.00 H new ATOM 0 HE1 MET B 39 0.550 7.755 3.599 1.00 0.00 H new ATOM 0 HE2 MET B 39 0.399 6.220 2.712 1.00 0.00 H new ATOM 0 HE3 MET B 39 0.792 6.210 4.448 1.00 0.00 H new ATOM 1360 N ALA B 40 6.156 2.414 2.610 1.00 0.00 N ATOM 1361 CA ALA B 40 6.269 1.203 1.823 1.00 0.00 C ATOM 1362 C ALA B 40 6.669 0.050 2.750 1.00 0.00 C ATOM 1363 O ALA B 40 6.090 -1.030 2.653 1.00 0.00 O ATOM 1364 CB ALA B 40 7.275 1.401 0.685 1.00 0.00 C ATOM 0 H ALA B 40 6.797 3.152 2.320 1.00 0.00 H new ATOM 0 HA ALA B 40 5.312 0.960 1.361 1.00 0.00 H new ATOM 0 HB1 ALA B 40 7.350 0.483 0.102 1.00 0.00 H new ATOM 0 HB2 ALA B 40 6.940 2.214 0.041 1.00 0.00 H new ATOM 0 HB3 ALA B 40 8.252 1.647 1.102 1.00 0.00 H new ATOM 1370 N LYS B 41 7.632 0.251 3.663 1.00 0.00 N ATOM 1371 CA LYS B 41 8.064 -0.773 4.615 1.00 0.00 C ATOM 1372 C LYS B 41 6.849 -1.256 5.410 1.00 0.00 C ATOM 1373 O LYS B 41 6.785 -2.453 5.698 1.00 0.00 O ATOM 1374 CB LYS B 41 9.176 -0.254 5.555 1.00 0.00 C ATOM 1375 CG LYS B 41 10.577 -0.256 4.926 1.00 0.00 C ATOM 1376 CD LYS B 41 11.545 0.698 5.644 1.00 0.00 C ATOM 1377 CE LYS B 41 12.955 0.514 5.072 1.00 0.00 C ATOM 1378 NZ LYS B 41 13.966 1.319 5.782 1.00 0.00 N ATOM 0 H LYS B 41 8.133 1.134 3.758 1.00 0.00 H new ATOM 0 HA LYS B 41 8.493 -1.608 4.061 1.00 0.00 H new ATOM 0 HB2 LYS B 41 8.930 0.761 5.866 1.00 0.00 H new ATOM 0 HB3 LYS B 41 9.192 -0.868 6.455 1.00 0.00 H new ATOM 0 HG2 LYS B 41 10.982 -1.268 4.952 1.00 0.00 H new ATOM 0 HG3 LYS B 41 10.501 0.030 3.877 1.00 0.00 H new ATOM 0 HD2 LYS B 41 11.219 1.730 5.515 1.00 0.00 H new ATOM 0 HD3 LYS B 41 11.545 0.496 6.715 1.00 0.00 H new ATOM 0 HE2 LYS B 41 13.231 -0.539 5.127 1.00 0.00 H new ATOM 0 HE3 LYS B 41 12.953 0.788 4.017 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 14.901 1.157 5.355 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 13.721 2.327 5.708 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 13.990 1.041 6.784 1.00 0.00 H new ATOM 1392 N ASN B 42 5.903 -0.380 5.768 1.00 0.00 N ATOM 1393 CA ASN B 42 4.701 -0.776 6.503 1.00 0.00 C ATOM 1394 C ASN B 42 3.854 -1.677 5.594 1.00 0.00 C ATOM 1395 O ASN B 42 3.489 -2.773 6.015 1.00 0.00 O ATOM 1396 CB ASN B 42 3.828 0.411 6.951 1.00 0.00 C ATOM 1397 CG ASN B 42 4.305 1.259 8.120 1.00 0.00 C ATOM 1398 OD1 ASN B 42 3.552 1.528 9.055 1.00 0.00 O ATOM 1399 ND2 ASN B 42 5.510 1.790 8.052 1.00 0.00 N ATOM 0 H ASN B 42 5.950 0.617 5.557 1.00 0.00 H new ATOM 0 HA ASN B 42 5.035 -1.287 7.406 1.00 0.00 H new ATOM 0 HB2 ASN B 42 3.699 1.071 6.093 1.00 0.00 H new ATOM 0 HB3 ASN B 42 2.842 0.021 7.204 1.00 0.00 H new ATOM 0 HD21 ASN B 42 5.827 2.431 8.779 1.00 0.00 H new ATOM 0 HD22 ASN B 42 6.126 1.560 7.272 1.00 0.00 H new ATOM 1406 N ILE B 43 3.562 -1.244 4.350 1.00 0.00 N ATOM 1407 CA ILE B 43 2.752 -2.009 3.385 1.00 0.00 C ATOM 1408 C ILE B 43 3.300 -3.430 3.303 1.00 0.00 C ATOM 1409 O ILE B 43 2.585 -4.416 3.484 1.00 0.00 O ATOM 1410 CB ILE B 43 2.704 -1.353 1.966 1.00 0.00 C ATOM 1411 CG1 ILE B 43 2.197 0.104 2.004 1.00 0.00 C ATOM 1412 CG2 ILE B 43 1.814 -2.173 1.032 1.00 0.00 C ATOM 1413 CD1 ILE B 43 2.236 0.843 0.663 1.00 0.00 C ATOM 0 H ILE B 43 3.885 -0.347 3.986 1.00 0.00 H new ATOM 0 HA ILE B 43 1.723 -2.017 3.744 1.00 0.00 H new ATOM 0 HB ILE B 43 3.728 -1.339 1.593 1.00 0.00 H new ATOM 0 HG12 ILE B 43 1.171 0.105 2.372 1.00 0.00 H new ATOM 0 HG13 ILE B 43 2.795 0.661 2.725 1.00 0.00 H new ATOM 0 HG21 ILE B 43 1.790 -1.705 0.048 1.00 0.00 H new ATOM 0 HG22 ILE B 43 2.213 -3.183 0.943 1.00 0.00 H new ATOM 0 HG23 ILE B 43 0.803 -2.217 1.438 1.00 0.00 H new ATOM 0 HD11 ILE B 43 1.860 1.857 0.796 1.00 0.00 H new ATOM 0 HD12 ILE B 43 3.262 0.881 0.298 1.00 0.00 H new ATOM 0 HD13 ILE B 43 1.613 0.317 -0.061 1.00 0.00 H new ATOM 1425 N LEU B 44 4.601 -3.509 3.056 1.00 0.00 N ATOM 1426 CA LEU B 44 5.338 -4.740 2.902 1.00 0.00 C ATOM 1427 C LEU B 44 5.408 -5.587 4.165 1.00 0.00 C ATOM 1428 O LEU B 44 5.383 -6.802 4.037 1.00 0.00 O ATOM 1429 CB LEU B 44 6.740 -4.406 2.379 1.00 0.00 C ATOM 1430 CG LEU B 44 6.723 -3.701 1.009 1.00 0.00 C ATOM 1431 CD1 LEU B 44 8.137 -3.208 0.686 1.00 0.00 C ATOM 1432 CD2 LEU B 44 6.108 -4.596 -0.071 1.00 0.00 C ATOM 0 H LEU B 44 5.187 -2.681 2.955 1.00 0.00 H new ATOM 0 HA LEU B 44 4.797 -5.359 2.186 1.00 0.00 H new ATOM 0 HB2 LEU B 44 7.249 -3.769 3.102 1.00 0.00 H new ATOM 0 HB3 LEU B 44 7.320 -5.325 2.300 1.00 0.00 H new ATOM 0 HG LEU B 44 6.075 -2.825 1.042 1.00 0.00 H new ATOM 0 HD11 LEU B 44 8.135 -2.707 -0.282 1.00 0.00 H new ATOM 0 HD12 LEU B 44 8.463 -2.508 1.456 1.00 0.00 H new ATOM 0 HD13 LEU B 44 8.820 -4.057 0.654 1.00 0.00 H new ATOM 0 HD21 LEU B 44 6.111 -4.069 -1.025 1.00 0.00 H new ATOM 0 HD22 LEU B 44 6.692 -5.512 -0.160 1.00 0.00 H new ATOM 0 HD23 LEU B 44 5.083 -4.845 0.203 1.00 0.00 H new ATOM 1444 N ARG B 45 5.493 -5.009 5.365 1.00 0.00 N ATOM 1445 CA ARG B 45 5.574 -5.806 6.591 1.00 0.00 C ATOM 1446 C ARG B 45 4.262 -6.503 6.925 1.00 0.00 C ATOM 1447 O ARG B 45 4.299 -7.565 7.559 1.00 0.00 O ATOM 1448 CB ARG B 45 6.064 -4.924 7.741 1.00 0.00 C ATOM 1449 CG ARG B 45 6.307 -5.714 9.034 1.00 0.00 C ATOM 1450 CD ARG B 45 7.294 -4.945 9.918 1.00 0.00 C ATOM 1451 NE ARG B 45 7.578 -5.620 11.188 1.00 0.00 N ATOM 1452 CZ ARG B 45 8.299 -6.730 11.375 1.00 0.00 C ATOM 1453 NH1 ARG B 45 8.823 -7.404 10.356 1.00 0.00 N ATOM 1454 NH2 ARG B 45 8.490 -7.189 12.602 1.00 0.00 N ATOM 0 H ARG B 45 5.507 -4.000 5.514 1.00 0.00 H new ATOM 0 HA ARG B 45 6.295 -6.607 6.429 1.00 0.00 H new ATOM 0 HB2 ARG B 45 6.988 -4.428 7.444 1.00 0.00 H new ATOM 0 HB3 ARG B 45 5.329 -4.141 7.931 1.00 0.00 H new ATOM 0 HG2 ARG B 45 5.367 -5.864 9.564 1.00 0.00 H new ATOM 0 HG3 ARG B 45 6.703 -6.702 8.801 1.00 0.00 H new ATOM 0 HD2 ARG B 45 8.227 -4.804 9.372 1.00 0.00 H new ATOM 0 HD3 ARG B 45 6.892 -3.953 10.123 1.00 0.00 H new ATOM 0 HE ARG B 45 7.180 -5.194 12.025 1.00 0.00 H new ATOM 0 HH11 ARG B 45 8.679 -7.077 9.401 1.00 0.00 H new ATOM 0 HH12 ARG B 45 9.369 -8.248 10.530 1.00 0.00 H new ATOM 0 HH21 ARG B 45 8.088 -6.696 13.399 1.00 0.00 H new ATOM 0 HH22 ARG B 45 9.039 -8.036 12.750 1.00 0.00 H new ATOM 1468 N GLU B 46 3.136 -5.936 6.488 1.00 0.00 N ATOM 1469 CA GLU B 46 1.837 -6.525 6.745 1.00 0.00 C ATOM 1470 C GLU B 46 1.483 -7.441 5.572 1.00 0.00 C ATOM 1471 O GLU B 46 1.673 -8.653 5.649 1.00 0.00 O ATOM 1472 CB GLU B 46 0.769 -5.462 7.053 1.00 0.00 C ATOM 1473 CG GLU B 46 1.117 -4.535 8.232 1.00 0.00 C ATOM 1474 CD GLU B 46 1.894 -5.189 9.383 1.00 0.00 C ATOM 1475 OE1 GLU B 46 1.398 -6.147 10.019 1.00 0.00 O ATOM 1476 OE2 GLU B 46 3.004 -4.695 9.688 1.00 0.00 O ATOM 0 H GLU B 46 3.106 -5.068 5.954 1.00 0.00 H new ATOM 0 HA GLU B 46 1.873 -7.132 7.650 1.00 0.00 H new ATOM 0 HB2 GLU B 46 0.612 -4.854 6.162 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -0.175 -5.964 7.267 1.00 0.00 H new ATOM 0 HG2 GLU B 46 1.702 -3.698 7.852 1.00 0.00 H new ATOM 0 HG3 GLU B 46 0.191 -4.121 8.631 1.00 0.00 H new ATOM 1483 N PHE B 47 1.033 -6.856 4.462 1.00 0.00 N ATOM 1484 CA PHE B 47 0.607 -7.541 3.251 1.00 0.00 C ATOM 1485 C PHE B 47 1.672 -8.440 2.623 1.00 0.00 C ATOM 1486 O PHE B 47 1.426 -9.631 2.437 1.00 0.00 O ATOM 1487 CB PHE B 47 0.142 -6.511 2.227 1.00 0.00 C ATOM 1488 CG PHE B 47 -1.180 -5.839 2.542 1.00 0.00 C ATOM 1489 CD1 PHE B 47 -2.376 -6.493 2.194 1.00 0.00 C ATOM 1490 CD2 PHE B 47 -1.229 -4.537 3.088 1.00 0.00 C ATOM 1491 CE1 PHE B 47 -3.611 -5.867 2.406 1.00 0.00 C ATOM 1492 CE2 PHE B 47 -2.469 -3.925 3.329 1.00 0.00 C ATOM 1493 CZ PHE B 47 -3.654 -4.586 2.979 1.00 0.00 C ATOM 0 H PHE B 47 0.953 -5.842 4.384 1.00 0.00 H new ATOM 0 HA PHE B 47 -0.206 -8.204 3.548 1.00 0.00 H new ATOM 0 HB2 PHE B 47 0.909 -5.742 2.135 1.00 0.00 H new ATOM 0 HB3 PHE B 47 0.061 -6.999 1.256 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -2.342 -7.482 1.762 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -0.313 -4.013 3.320 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -4.527 -6.368 2.130 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -2.510 -2.946 3.783 1.00 0.00 H new ATOM 0 HZ PHE B 47 -4.607 -4.107 3.151 1.00 0.00 H new ATOM 1503 N SER B 48 2.817 -7.889 2.207 1.00 0.00 N ATOM 1504 CA SER B 48 3.902 -8.669 1.590 1.00 0.00 C ATOM 1505 C SER B 48 4.681 -9.455 2.665 1.00 0.00 C ATOM 1506 O SER B 48 5.675 -10.119 2.363 1.00 0.00 O ATOM 1507 CB SER B 48 4.813 -7.721 0.789 1.00 0.00 C ATOM 1508 OG SER B 48 5.596 -8.335 -0.220 1.00 0.00 O ATOM 0 H SER B 48 3.020 -6.893 2.287 1.00 0.00 H new ATOM 0 HA SER B 48 3.486 -9.405 0.901 1.00 0.00 H new ATOM 0 HB2 SER B 48 4.192 -6.954 0.326 1.00 0.00 H new ATOM 0 HB3 SER B 48 5.481 -7.214 1.485 1.00 0.00 H new ATOM 0 HG SER B 48 5.355 -7.962 -1.094 1.00 0.00 H new