USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=20 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= -0.08 K(o=-3,f=-5.5) USER MOD Set 1.2: A 39 MET CE :methyl 164:sc= -1.73 (180deg=-1.78!) USER MOD Set 1.3: B 34 HIS : no HD1:sc= -0.12 K(o=-3,f=-5.5) USER MOD Set 1.4: B 39 MET CE :methyl 168:sc= -1.09 (180deg=-1.48) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0471 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -147:sc=-0.00463 (180deg=-0.358) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.883 K(o=-0.88,f=-0.013) USER MOD Single : A 21 TYR OH : 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=-0.13) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 158:sc= 1.14 (180deg=0.751) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= -1.31 K(o=-1.3,f=-8.2!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.773 K(o=0.77,f=0) USER MOD Single : A 48 SER OG : rot -107:sc= 0.475 USER MOD Single : B 10 SER OG : rot 180:sc= 0.0624 USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 17 MET CE :methyl -158:sc= 0 (180deg=-0.957) USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD Single : B 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 21 TYR OH : rot -79:sc= 0.0854 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 K(o=0,f=-0.76) USER MOD Single : B 27 GLN : amide:sc= -0.299 X(o=-0.3,f=-0.25) USER MOD Single : B 28 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00893) USER MOD Single : B 35 ASN : amide:sc=-0.00276 X(o=-0.0028,f=-0.13) USER MOD Single : B 36 ASN : amide:sc= -0.39 K(o=-0.39,f=-9.1!) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 ASN : amide:sc= -0.0116 K(o=-0.012,f=-0.65) USER MOD Single : B 48 SER OG : rot 143:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 83 N LEU A 9 -16.564 9.098 1.372 1.00 0.00 N ATOM 84 CA LEU A 9 -15.733 7.896 1.284 1.00 0.00 C ATOM 85 C LEU A 9 -16.313 6.686 2.011 1.00 0.00 C ATOM 86 O LEU A 9 -15.978 5.559 1.659 1.00 0.00 O ATOM 87 CB LEU A 9 -14.314 8.204 1.787 1.00 0.00 C ATOM 88 CG LEU A 9 -13.346 8.485 0.629 1.00 0.00 C ATOM 89 CD1 LEU A 9 -13.747 9.686 -0.238 1.00 0.00 C ATOM 90 CD2 LEU A 9 -11.954 8.738 1.208 1.00 0.00 C ATOM 0 HA LEU A 9 -15.703 7.617 0.231 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -14.344 9.066 2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.945 7.362 2.372 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.367 7.610 -0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.015 9.821 -1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.730 9.507 -0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.782 10.584 0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.254 8.939 0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.989 9.597 1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.625 7.859 1.762 1.00 0.00 H new ATOM 102 N SER A 10 -17.197 6.893 2.984 1.00 0.00 N ATOM 103 CA SER A 10 -17.839 5.827 3.739 1.00 0.00 C ATOM 104 C SER A 10 -18.552 4.859 2.782 1.00 0.00 C ATOM 105 O SER A 10 -18.524 3.644 2.972 1.00 0.00 O ATOM 106 CB SER A 10 -18.817 6.474 4.722 1.00 0.00 C ATOM 107 OG SER A 10 -18.208 7.588 5.358 1.00 0.00 O ATOM 0 H SER A 10 -17.491 7.826 3.273 1.00 0.00 H new ATOM 0 HA SER A 10 -17.104 5.244 4.293 1.00 0.00 H new ATOM 0 HB2 SER A 10 -19.716 6.794 4.195 1.00 0.00 H new ATOM 0 HB3 SER A 10 -19.128 5.745 5.470 1.00 0.00 H new ATOM 0 HG SER A 10 -18.843 7.995 5.983 1.00 0.00 H new ATOM 113 N SER A 11 -19.165 5.392 1.721 1.00 0.00 N ATOM 114 CA SER A 11 -19.861 4.585 0.734 1.00 0.00 C ATOM 115 C SER A 11 -18.866 3.754 -0.078 1.00 0.00 C ATOM 116 O SER A 11 -19.130 2.598 -0.401 1.00 0.00 O ATOM 117 CB SER A 11 -20.706 5.508 -0.151 1.00 0.00 C ATOM 118 OG SER A 11 -19.930 6.480 -0.838 1.00 0.00 O ATOM 0 H SER A 11 -19.189 6.393 1.529 1.00 0.00 H new ATOM 0 HA SER A 11 -20.527 3.877 1.228 1.00 0.00 H new ATOM 0 HB2 SER A 11 -21.251 4.906 -0.878 1.00 0.00 H new ATOM 0 HB3 SER A 11 -21.449 6.014 0.466 1.00 0.00 H new ATOM 0 HG SER A 11 -20.518 7.039 -1.388 1.00 0.00 H new ATOM 124 N GLU A 12 -17.697 4.319 -0.391 1.00 0.00 N ATOM 125 CA GLU A 12 -16.655 3.640 -1.149 1.00 0.00 C ATOM 126 C GLU A 12 -16.102 2.459 -0.325 1.00 0.00 C ATOM 127 O GLU A 12 -15.679 1.449 -0.899 1.00 0.00 O ATOM 128 CB GLU A 12 -15.565 4.628 -1.589 1.00 0.00 C ATOM 129 CG GLU A 12 -16.069 5.919 -2.264 1.00 0.00 C ATOM 130 CD GLU A 12 -16.841 5.733 -3.577 1.00 0.00 C ATOM 131 OE1 GLU A 12 -16.484 4.822 -4.382 1.00 0.00 O ATOM 132 OE2 GLU A 12 -17.765 6.529 -3.835 1.00 0.00 O ATOM 0 H GLU A 12 -17.450 5.271 -0.120 1.00 0.00 H new ATOM 0 HA GLU A 12 -17.077 3.229 -2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.975 4.903 -0.715 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.894 4.117 -2.279 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.711 6.447 -1.559 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -15.211 6.563 -2.458 1.00 0.00 H new ATOM 139 N ILE A 13 -16.134 2.547 1.010 1.00 0.00 N ATOM 140 CA ILE A 13 -15.687 1.484 1.906 1.00 0.00 C ATOM 141 C ILE A 13 -16.683 0.339 1.733 1.00 0.00 C ATOM 142 O ILE A 13 -16.276 -0.794 1.483 1.00 0.00 O ATOM 143 CB ILE A 13 -15.549 1.990 3.364 1.00 0.00 C ATOM 144 CG1 ILE A 13 -14.340 2.951 3.465 1.00 0.00 C ATOM 145 CG2 ILE A 13 -15.418 0.811 4.348 1.00 0.00 C ATOM 146 CD1 ILE A 13 -14.294 3.763 4.766 1.00 0.00 C ATOM 0 H ILE A 13 -16.477 3.372 1.501 1.00 0.00 H new ATOM 0 HA ILE A 13 -14.685 1.133 1.659 1.00 0.00 H new ATOM 0 HB ILE A 13 -16.451 2.536 3.639 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.421 2.372 3.378 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.365 3.639 2.620 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -15.323 1.194 5.364 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -16.304 0.180 4.280 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -14.534 0.224 4.097 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.418 4.412 4.759 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -15.195 4.371 4.847 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -14.236 3.084 5.617 1.00 0.00 H new ATOM 158 N GLU A 14 -17.986 0.622 1.810 1.00 0.00 N ATOM 159 CA GLU A 14 -19.010 -0.404 1.643 1.00 0.00 C ATOM 160 C GLU A 14 -18.963 -1.014 0.243 1.00 0.00 C ATOM 161 O GLU A 14 -19.345 -2.177 0.074 1.00 0.00 O ATOM 162 CB GLU A 14 -20.396 0.159 1.930 1.00 0.00 C ATOM 163 CG GLU A 14 -20.580 0.449 3.418 1.00 0.00 C ATOM 164 CD GLU A 14 -22.039 0.778 3.690 1.00 0.00 C ATOM 165 OE1 GLU A 14 -22.902 -0.119 3.550 1.00 0.00 O ATOM 166 OE2 GLU A 14 -22.333 1.961 3.958 1.00 0.00 O ATOM 0 H GLU A 14 -18.354 1.557 1.988 1.00 0.00 H new ATOM 0 HA GLU A 14 -18.802 -1.195 2.363 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -20.544 1.075 1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -21.155 -0.550 1.599 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.274 -0.414 4.009 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.945 1.283 3.719 1.00 0.00 H new ATOM 173 N ARG A 15 -18.503 -0.263 -0.767 1.00 0.00 N ATOM 174 CA ARG A 15 -18.399 -0.804 -2.117 1.00 0.00 C ATOM 175 C ARG A 15 -17.303 -1.867 -2.081 1.00 0.00 C ATOM 176 O ARG A 15 -17.499 -2.946 -2.635 1.00 0.00 O ATOM 177 CB ARG A 15 -18.125 0.304 -3.140 1.00 0.00 C ATOM 178 CG ARG A 15 -19.343 1.183 -3.460 1.00 0.00 C ATOM 179 CD ARG A 15 -18.900 2.400 -4.290 1.00 0.00 C ATOM 180 NE ARG A 15 -19.940 3.438 -4.339 1.00 0.00 N ATOM 181 CZ ARG A 15 -19.925 4.531 -5.111 1.00 0.00 C ATOM 182 NH1 ARG A 15 -18.902 4.807 -5.908 1.00 0.00 N ATOM 183 NH2 ARG A 15 -20.989 5.323 -5.098 1.00 0.00 N ATOM 0 H ARG A 15 -18.202 0.707 -0.672 1.00 0.00 H new ATOM 0 HA ARG A 15 -19.337 -1.257 -2.438 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -17.322 0.939 -2.765 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -17.767 -0.151 -4.064 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -20.086 0.606 -4.011 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -19.818 1.514 -2.536 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -17.989 2.819 -3.863 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -18.659 2.080 -5.304 1.00 0.00 H new ATOM 0 HE ARG A 15 -20.747 3.314 -3.728 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -18.099 4.179 -5.944 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -18.918 5.648 -6.486 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -21.790 5.092 -4.510 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -21.006 6.163 -5.676 1.00 0.00 H new ATOM 197 N LEU A 16 -16.159 -1.592 -1.435 1.00 0.00 N ATOM 198 CA LEU A 16 -15.072 -2.567 -1.337 1.00 0.00 C ATOM 199 C LEU A 16 -15.512 -3.765 -0.508 1.00 0.00 C ATOM 200 O LEU A 16 -15.082 -4.875 -0.819 1.00 0.00 O ATOM 201 CB LEU A 16 -13.768 -1.970 -0.795 1.00 0.00 C ATOM 202 CG LEU A 16 -13.079 -0.976 -1.745 1.00 0.00 C ATOM 203 CD1 LEU A 16 -11.665 -0.710 -1.225 1.00 0.00 C ATOM 204 CD2 LEU A 16 -13.016 -1.473 -3.195 1.00 0.00 C ATOM 0 H LEU A 16 -15.967 -0.702 -0.975 1.00 0.00 H new ATOM 0 HA LEU A 16 -14.850 -2.895 -2.353 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -13.978 -1.466 0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.075 -2.782 -0.574 1.00 0.00 H new ATOM 0 HG LEU A 16 -13.673 -0.062 -1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.160 -0.006 -1.887 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.720 -0.289 -0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.106 -1.645 -1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.519 -0.727 -3.814 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -12.458 -2.408 -3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -14.027 -1.638 -3.567 1.00 0.00 H new ATOM 216 N MET A 17 -16.375 -3.586 0.501 1.00 0.00 N ATOM 217 CA MET A 17 -16.862 -4.723 1.282 1.00 0.00 C ATOM 218 C MET A 17 -17.547 -5.673 0.292 1.00 0.00 C ATOM 219 O MET A 17 -17.276 -6.872 0.284 1.00 0.00 O ATOM 220 CB MET A 17 -17.888 -4.301 2.340 1.00 0.00 C ATOM 221 CG MET A 17 -17.369 -3.482 3.515 1.00 0.00 C ATOM 222 SD MET A 17 -18.753 -3.051 4.601 1.00 0.00 S ATOM 223 CE MET A 17 -17.880 -2.237 5.949 1.00 0.00 C ATOM 0 H MET A 17 -16.743 -2.680 0.790 1.00 0.00 H new ATOM 0 HA MET A 17 -16.025 -5.186 1.805 1.00 0.00 H new ATOM 0 HB2 MET A 17 -18.670 -3.725 1.844 1.00 0.00 H new ATOM 0 HB3 MET A 17 -18.358 -5.202 2.735 1.00 0.00 H new ATOM 0 HG2 MET A 17 -16.621 -4.051 4.068 1.00 0.00 H new ATOM 0 HG3 MET A 17 -16.879 -2.577 3.155 1.00 0.00 H new ATOM 0 HE1 MET A 17 -18.400 -2.429 6.888 1.00 0.00 H new ATOM 0 HE2 MET A 17 -16.863 -2.625 6.011 1.00 0.00 H new ATOM 0 HE3 MET A 17 -17.847 -1.163 5.765 1.00 0.00 H new ATOM 233 N SER A 18 -18.386 -5.123 -0.596 1.00 0.00 N ATOM 234 CA SER A 18 -19.096 -5.890 -1.605 1.00 0.00 C ATOM 235 C SER A 18 -18.129 -6.566 -2.585 1.00 0.00 C ATOM 236 O SER A 18 -18.496 -7.577 -3.180 1.00 0.00 O ATOM 237 CB SER A 18 -20.090 -4.980 -2.325 1.00 0.00 C ATOM 238 OG SER A 18 -21.131 -5.754 -2.886 1.00 0.00 O ATOM 0 H SER A 18 -18.587 -4.123 -0.627 1.00 0.00 H new ATOM 0 HA SER A 18 -19.647 -6.693 -1.116 1.00 0.00 H new ATOM 0 HB2 SER A 18 -20.502 -4.252 -1.626 1.00 0.00 H new ATOM 0 HB3 SER A 18 -19.581 -4.418 -3.108 1.00 0.00 H new ATOM 0 HG SER A 18 -21.766 -5.165 -3.345 1.00 0.00 H new ATOM 244 N GLN A 19 -16.911 -6.044 -2.794 1.00 0.00 N ATOM 245 CA GLN A 19 -15.944 -6.685 -3.683 1.00 0.00 C ATOM 246 C GLN A 19 -15.406 -7.969 -3.020 1.00 0.00 C ATOM 247 O GLN A 19 -14.713 -8.729 -3.699 1.00 0.00 O ATOM 248 CB GLN A 19 -14.804 -5.738 -4.108 1.00 0.00 C ATOM 249 CG GLN A 19 -15.221 -4.448 -4.837 1.00 0.00 C ATOM 250 CD GLN A 19 -15.746 -4.628 -6.262 1.00 0.00 C ATOM 251 OE1 GLN A 19 -15.184 -4.090 -7.216 1.00 0.00 O ATOM 252 NE2 GLN A 19 -16.885 -5.279 -6.455 1.00 0.00 N ATOM 0 H GLN A 19 -16.578 -5.183 -2.359 1.00 0.00 H new ATOM 0 HA GLN A 19 -16.460 -6.951 -4.605 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.241 -5.460 -3.217 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -14.124 -6.291 -4.755 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.991 -3.952 -4.246 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.362 -3.777 -4.868 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -17.356 -5.727 -5.669 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -17.290 -5.332 -7.390 1.00 0.00 H new ATOM 261 N GLY A 20 -15.712 -8.232 -1.739 1.00 0.00 N ATOM 262 CA GLY A 20 -15.306 -9.421 -0.999 1.00 0.00 C ATOM 263 C GLY A 20 -14.229 -9.216 0.068 1.00 0.00 C ATOM 264 O GLY A 20 -13.702 -10.220 0.555 1.00 0.00 O ATOM 0 H GLY A 20 -16.271 -7.592 -1.175 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -16.188 -9.844 -0.519 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.945 -10.162 -1.712 1.00 0.00 H new ATOM 268 N TYR A 21 -13.886 -7.972 0.424 1.00 0.00 N ATOM 269 CA TYR A 21 -12.856 -7.655 1.421 1.00 0.00 C ATOM 270 C TYR A 21 -13.445 -7.429 2.812 1.00 0.00 C ATOM 271 O TYR A 21 -14.664 -7.289 2.970 1.00 0.00 O ATOM 272 CB TYR A 21 -12.086 -6.401 0.975 1.00 0.00 C ATOM 273 CG TYR A 21 -11.319 -6.629 -0.307 1.00 0.00 C ATOM 274 CD1 TYR A 21 -10.039 -7.209 -0.261 1.00 0.00 C ATOM 275 CD2 TYR A 21 -11.920 -6.351 -1.546 1.00 0.00 C ATOM 276 CE1 TYR A 21 -9.384 -7.554 -1.452 1.00 0.00 C ATOM 277 CE2 TYR A 21 -11.274 -6.709 -2.741 1.00 0.00 C ATOM 278 CZ TYR A 21 -10.009 -7.340 -2.695 1.00 0.00 C ATOM 279 OH TYR A 21 -9.425 -7.798 -3.828 1.00 0.00 O ATOM 0 H TYR A 21 -14.324 -7.144 0.021 1.00 0.00 H new ATOM 0 HA TYR A 21 -12.185 -8.511 1.488 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -12.786 -5.577 0.836 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -11.394 -6.102 1.762 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -9.561 -7.389 0.691 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -12.882 -5.861 -1.580 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.395 -7.986 -1.415 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.742 -6.503 -3.692 1.00 0.00 H new ATOM 0 HH TYR A 21 -9.984 -7.569 -4.600 1.00 0.00 H new ATOM 289 N SER A 22 -12.588 -7.396 3.833 1.00 0.00 N ATOM 290 CA SER A 22 -12.977 -7.161 5.217 1.00 0.00 C ATOM 291 C SER A 22 -12.804 -5.672 5.517 1.00 0.00 C ATOM 292 O SER A 22 -11.927 -5.008 4.962 1.00 0.00 O ATOM 293 CB SER A 22 -12.095 -7.974 6.171 1.00 0.00 C ATOM 294 OG SER A 22 -11.942 -9.315 5.762 1.00 0.00 O ATOM 0 H SER A 22 -11.584 -7.535 3.715 1.00 0.00 H new ATOM 0 HA SER A 22 -14.013 -7.467 5.359 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.113 -7.505 6.240 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.530 -7.951 7.170 1.00 0.00 H new ATOM 0 HG SER A 22 -11.371 -9.789 6.402 1.00 0.00 H new ATOM 300 N TYR A 23 -13.597 -5.151 6.453 1.00 0.00 N ATOM 301 CA TYR A 23 -13.549 -3.749 6.854 1.00 0.00 C ATOM 302 C TYR A 23 -12.156 -3.326 7.337 1.00 0.00 C ATOM 303 O TYR A 23 -11.705 -2.229 7.004 1.00 0.00 O ATOM 304 CB TYR A 23 -14.589 -3.532 7.952 1.00 0.00 C ATOM 305 CG TYR A 23 -14.623 -2.128 8.516 1.00 0.00 C ATOM 306 CD1 TYR A 23 -15.074 -1.062 7.716 1.00 0.00 C ATOM 307 CD2 TYR A 23 -14.202 -1.887 9.837 1.00 0.00 C ATOM 308 CE1 TYR A 23 -15.144 0.235 8.247 1.00 0.00 C ATOM 309 CE2 TYR A 23 -14.268 -0.590 10.373 1.00 0.00 C ATOM 310 CZ TYR A 23 -14.752 0.475 9.583 1.00 0.00 C ATOM 311 OH TYR A 23 -14.841 1.728 10.103 1.00 0.00 O ATOM 0 H TYR A 23 -14.296 -5.696 6.957 1.00 0.00 H new ATOM 0 HA TYR A 23 -13.772 -3.128 5.986 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -15.575 -3.774 7.554 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -14.392 -4.232 8.764 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -15.367 -1.242 6.692 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -13.827 -2.701 10.440 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -15.498 1.051 7.634 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -13.949 -0.408 11.389 1.00 0.00 H new ATOM 0 HH TYR A 23 -14.532 1.719 11.033 1.00 0.00 H new ATOM 321 N GLN A 24 -11.477 -4.204 8.084 1.00 0.00 N ATOM 322 CA GLN A 24 -10.148 -3.981 8.649 1.00 0.00 C ATOM 323 C GLN A 24 -9.119 -3.651 7.571 1.00 0.00 C ATOM 324 O GLN A 24 -8.422 -2.643 7.675 1.00 0.00 O ATOM 325 CB GLN A 24 -9.687 -5.213 9.449 1.00 0.00 C ATOM 326 CG GLN A 24 -10.700 -5.631 10.521 1.00 0.00 C ATOM 327 CD GLN A 24 -10.147 -6.671 11.490 1.00 0.00 C ATOM 328 OE1 GLN A 24 -9.304 -7.499 11.158 1.00 0.00 O ATOM 329 NE2 GLN A 24 -10.588 -6.635 12.737 1.00 0.00 N ATOM 0 H GLN A 24 -11.855 -5.122 8.318 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.223 -3.123 9.317 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -9.523 -6.046 8.765 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.730 -4.997 9.923 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -11.012 -4.750 11.082 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.590 -6.032 10.036 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.289 -5.946 13.010 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.227 -7.296 13.425 1.00 0.00 H new ATOM 338 N ASP A 25 -9.035 -4.480 6.528 1.00 0.00 N ATOM 339 CA ASP A 25 -8.098 -4.303 5.422 1.00 0.00 C ATOM 340 C ASP A 25 -8.357 -2.962 4.761 1.00 0.00 C ATOM 341 O ASP A 25 -7.430 -2.231 4.423 1.00 0.00 O ATOM 342 CB ASP A 25 -8.266 -5.415 4.379 1.00 0.00 C ATOM 343 CG ASP A 25 -7.955 -6.779 4.972 1.00 0.00 C ATOM 344 OD1 ASP A 25 -8.843 -7.321 5.660 1.00 0.00 O ATOM 345 OD2 ASP A 25 -6.832 -7.290 4.764 1.00 0.00 O ATOM 0 H ASP A 25 -9.626 -5.305 6.429 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.083 -4.344 5.817 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.287 -5.407 3.996 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.606 -5.225 3.532 1.00 0.00 H new ATOM 350 N ILE A 26 -9.632 -2.615 4.585 1.00 0.00 N ATOM 351 CA ILE A 26 -9.991 -1.355 3.969 1.00 0.00 C ATOM 352 C ILE A 26 -9.502 -0.207 4.871 1.00 0.00 C ATOM 353 O ILE A 26 -8.818 0.679 4.368 1.00 0.00 O ATOM 354 CB ILE A 26 -11.489 -1.328 3.603 1.00 0.00 C ATOM 355 CG1 ILE A 26 -11.918 -2.496 2.679 1.00 0.00 C ATOM 356 CG2 ILE A 26 -11.787 -0.003 2.883 1.00 0.00 C ATOM 357 CD1 ILE A 26 -13.428 -2.769 2.751 1.00 0.00 C ATOM 0 H ILE A 26 -10.426 -3.193 4.862 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.489 -1.222 3.011 1.00 0.00 H new ATOM 0 HB ILE A 26 -12.051 -1.430 4.531 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.641 -2.264 1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.374 -3.398 2.960 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -12.843 0.036 2.615 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -11.549 0.831 3.543 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -11.181 0.065 1.980 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.680 -3.595 2.087 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -13.702 -3.028 3.773 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -13.974 -1.877 2.444 1.00 0.00 H new ATOM 369 N GLN A 27 -9.790 -0.214 6.178 1.00 0.00 N ATOM 370 CA GLN A 27 -9.348 0.852 7.084 1.00 0.00 C ATOM 371 C GLN A 27 -7.815 0.974 7.083 1.00 0.00 C ATOM 372 O GLN A 27 -7.272 2.082 7.082 1.00 0.00 O ATOM 373 CB GLN A 27 -9.854 0.596 8.521 1.00 0.00 C ATOM 374 CG GLN A 27 -11.367 0.769 8.726 1.00 0.00 C ATOM 375 CD GLN A 27 -11.809 2.233 8.754 1.00 0.00 C ATOM 376 OE1 GLN A 27 -11.568 2.956 9.714 1.00 0.00 O ATOM 377 NE2 GLN A 27 -12.490 2.711 7.731 1.00 0.00 N ATOM 0 H GLN A 27 -10.330 -0.950 6.633 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.772 1.789 6.724 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.579 -0.418 8.810 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.333 1.273 9.198 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.897 0.252 7.926 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.657 0.291 9.662 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.693 2.113 6.930 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.814 3.678 7.741 1.00 0.00 H new ATOM 386 N LYS A 28 -7.083 -0.144 7.097 1.00 0.00 N ATOM 387 CA LYS A 28 -5.617 -0.130 7.083 1.00 0.00 C ATOM 388 C LYS A 28 -5.122 0.486 5.775 1.00 0.00 C ATOM 389 O LYS A 28 -4.183 1.278 5.785 1.00 0.00 O ATOM 390 CB LYS A 28 -5.081 -1.553 7.295 1.00 0.00 C ATOM 391 CG LYS A 28 -5.139 -1.941 8.779 1.00 0.00 C ATOM 392 CD LYS A 28 -4.964 -3.453 8.967 1.00 0.00 C ATOM 393 CE LYS A 28 -4.751 -3.805 10.446 1.00 0.00 C ATOM 394 NZ LYS A 28 -3.359 -3.571 10.882 1.00 0.00 N ATOM 0 H LYS A 28 -7.488 -1.080 7.118 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.240 0.485 7.900 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.667 -2.259 6.707 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.053 -1.616 6.938 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.359 -1.412 9.326 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.094 -1.628 9.202 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.844 -3.974 8.589 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.112 -3.799 8.381 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.427 -3.210 11.060 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.010 -4.851 10.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.334 -3.456 11.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.769 -4.383 10.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.993 -2.709 10.429 1.00 0.00 H new ATOM 408 N ALA A 29 -5.749 0.161 4.643 1.00 0.00 N ATOM 409 CA ALA A 29 -5.343 0.726 3.366 1.00 0.00 C ATOM 410 C ALA A 29 -5.629 2.227 3.335 1.00 0.00 C ATOM 411 O ALA A 29 -4.828 2.994 2.804 1.00 0.00 O ATOM 412 CB ALA A 29 -6.089 0.032 2.230 1.00 0.00 C ATOM 0 H ALA A 29 -6.535 -0.487 4.590 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.272 0.570 3.239 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.780 0.460 1.277 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.859 -1.033 2.241 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.162 0.173 2.360 1.00 0.00 H new ATOM 418 N LEU A 30 -6.758 2.649 3.915 1.00 0.00 N ATOM 419 CA LEU A 30 -7.188 4.036 3.960 1.00 0.00 C ATOM 420 C LEU A 30 -6.164 4.918 4.662 1.00 0.00 C ATOM 421 O LEU A 30 -5.695 5.889 4.062 1.00 0.00 O ATOM 422 CB LEU A 30 -8.577 4.170 4.609 1.00 0.00 C ATOM 423 CG LEU A 30 -9.833 4.113 3.710 1.00 0.00 C ATOM 424 CD1 LEU A 30 -10.327 5.519 3.348 1.00 0.00 C ATOM 425 CD2 LEU A 30 -9.722 3.277 2.433 1.00 0.00 C ATOM 0 H LEU A 30 -7.409 2.013 4.376 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.268 4.385 2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.670 3.380 5.354 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.599 5.118 5.146 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.555 3.590 4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.211 5.442 2.715 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.579 6.062 4.259 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.543 6.053 2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.666 3.316 1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.925 3.676 1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.496 2.243 2.694 1.00 0.00 H new ATOM 437 N VAL A 31 -5.806 4.578 5.904 1.00 0.00 N ATOM 438 CA VAL A 31 -4.851 5.344 6.701 1.00 0.00 C ATOM 439 C VAL A 31 -3.490 5.463 6.003 1.00 0.00 C ATOM 440 O VAL A 31 -2.938 6.565 5.932 1.00 0.00 O ATOM 441 CB VAL A 31 -4.801 4.787 8.148 1.00 0.00 C ATOM 442 CG1 VAL A 31 -4.204 3.386 8.297 1.00 0.00 C ATOM 443 CG2 VAL A 31 -4.059 5.715 9.119 1.00 0.00 C ATOM 0 H VAL A 31 -6.175 3.758 6.385 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.191 6.376 6.788 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.859 4.726 8.403 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.217 3.095 9.347 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.793 2.676 7.716 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.176 3.388 7.934 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.057 5.273 10.115 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.032 5.850 8.780 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.560 6.682 9.153 1.00 0.00 H new ATOM 453 N ILE A 32 -2.961 4.369 5.445 1.00 0.00 N ATOM 454 CA ILE A 32 -1.665 4.377 4.768 1.00 0.00 C ATOM 455 C ILE A 32 -1.736 5.168 3.452 1.00 0.00 C ATOM 456 O ILE A 32 -0.721 5.692 2.991 1.00 0.00 O ATOM 457 CB ILE A 32 -1.161 2.926 4.563 1.00 0.00 C ATOM 458 CG1 ILE A 32 -1.028 2.166 5.906 1.00 0.00 C ATOM 459 CG2 ILE A 32 0.198 2.944 3.846 1.00 0.00 C ATOM 460 CD1 ILE A 32 -0.836 0.654 5.727 1.00 0.00 C ATOM 0 H ILE A 32 -3.419 3.458 5.451 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.937 4.889 5.398 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.898 2.403 3.954 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.182 2.570 6.463 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.920 2.344 6.507 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.548 1.922 3.704 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.091 3.429 2.876 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.920 3.494 4.449 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.749 0.180 6.705 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.693 0.239 5.197 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.071 0.468 5.152 1.00 0.00 H new ATOM 472 N ALA A 33 -2.911 5.284 2.831 1.00 0.00 N ATOM 473 CA ALA A 33 -3.087 6.011 1.591 1.00 0.00 C ATOM 474 C ALA A 33 -3.463 7.474 1.846 1.00 0.00 C ATOM 475 O ALA A 33 -3.939 8.123 0.920 1.00 0.00 O ATOM 476 CB ALA A 33 -4.135 5.287 0.746 1.00 0.00 C ATOM 0 H ALA A 33 -3.772 4.868 3.186 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.145 6.035 1.044 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.279 5.823 -0.192 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.796 4.273 0.536 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.078 5.249 1.291 1.00 0.00 H new ATOM 482 N HIS A 34 -3.287 8.005 3.064 1.00 0.00 N ATOM 483 CA HIS A 34 -3.641 9.391 3.413 1.00 0.00 C ATOM 484 C HIS A 34 -5.114 9.670 3.041 1.00 0.00 C ATOM 485 O HIS A 34 -5.472 10.738 2.536 1.00 0.00 O ATOM 486 CB HIS A 34 -2.670 10.404 2.767 1.00 0.00 C ATOM 487 CG HIS A 34 -1.187 10.145 2.926 1.00 0.00 C ATOM 488 ND1 HIS A 34 -0.207 10.648 2.098 1.00 0.00 N ATOM 489 CD2 HIS A 34 -0.566 9.400 3.895 1.00 0.00 C ATOM 490 CE1 HIS A 34 0.980 10.213 2.556 1.00 0.00 C ATOM 491 NE2 HIS A 34 0.815 9.457 3.658 1.00 0.00 N ATOM 0 H HIS A 34 -2.891 7.480 3.844 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.539 9.517 4.491 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.892 10.450 1.701 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.886 11.389 3.181 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -1.053 8.865 4.697 1.00 0.00 H new ATOM 0 HE1 HIS A 34 1.934 10.439 2.103 1.00 0.00 H new ATOM 0 HE2 HIS A 34 1.549 9.014 4.211 1.00 0.00 H new ATOM 499 N ASN A 35 -5.988 8.682 3.269 1.00 0.00 N ATOM 500 CA ASN A 35 -7.423 8.708 2.972 1.00 0.00 C ATOM 501 C ASN A 35 -7.707 8.854 1.462 1.00 0.00 C ATOM 502 O ASN A 35 -8.839 9.164 1.082 1.00 0.00 O ATOM 503 CB ASN A 35 -8.206 9.688 3.874 1.00 0.00 C ATOM 504 CG ASN A 35 -8.292 9.172 5.304 1.00 0.00 C ATOM 505 OD1 ASN A 35 -7.310 9.186 6.038 1.00 0.00 O ATOM 506 ND2 ASN A 35 -9.440 8.671 5.733 1.00 0.00 N ATOM 0 H ASN A 35 -5.697 7.798 3.687 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.820 7.728 3.236 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.719 10.663 3.865 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.210 9.830 3.475 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.511 8.294 6.678 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.254 8.662 5.118 1.00 0.00 H new ATOM 513 N ASN A 36 -6.705 8.672 0.582 1.00 0.00 N ATOM 514 CA ASN A 36 -6.899 8.733 -0.868 1.00 0.00 C ATOM 515 C ASN A 36 -7.520 7.379 -1.216 1.00 0.00 C ATOM 516 O ASN A 36 -6.834 6.348 -1.228 1.00 0.00 O ATOM 517 CB ASN A 36 -5.607 8.966 -1.665 1.00 0.00 C ATOM 518 CG ASN A 36 -5.879 8.945 -3.173 1.00 0.00 C ATOM 519 OD1 ASN A 36 -6.875 8.406 -3.651 1.00 0.00 O ATOM 520 ND2 ASN A 36 -4.983 9.484 -3.973 1.00 0.00 N ATOM 0 H ASN A 36 -5.743 8.479 0.861 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.523 9.585 -1.136 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.170 9.924 -1.384 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.877 8.197 -1.413 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.117 9.453 -4.984 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.155 9.933 -3.582 1.00 0.00 H new ATOM 527 N ILE A 37 -8.831 7.349 -1.419 1.00 0.00 N ATOM 528 CA ILE A 37 -9.595 6.146 -1.726 1.00 0.00 C ATOM 529 C ILE A 37 -9.069 5.362 -2.935 1.00 0.00 C ATOM 530 O ILE A 37 -9.023 4.135 -2.896 1.00 0.00 O ATOM 531 CB ILE A 37 -11.084 6.542 -1.848 1.00 0.00 C ATOM 532 CG1 ILE A 37 -12.036 5.376 -2.152 1.00 0.00 C ATOM 533 CG2 ILE A 37 -11.353 7.607 -2.924 1.00 0.00 C ATOM 534 CD1 ILE A 37 -12.125 4.317 -1.053 1.00 0.00 C ATOM 0 H ILE A 37 -9.410 8.187 -1.373 1.00 0.00 H new ATOM 0 HA ILE A 37 -9.475 5.435 -0.908 1.00 0.00 H new ATOM 0 HB ILE A 37 -11.289 6.935 -0.852 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -13.033 5.777 -2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -11.715 4.895 -3.076 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -12.419 7.835 -2.952 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -10.795 8.513 -2.687 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.037 7.230 -3.896 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.820 3.535 -1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.140 3.882 -0.886 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.479 4.778 -0.131 1.00 0.00 H new ATOM 546 N GLU A 38 -8.680 6.037 -4.012 1.00 0.00 N ATOM 547 CA GLU A 38 -8.190 5.402 -5.237 1.00 0.00 C ATOM 548 C GLU A 38 -6.831 4.759 -5.021 1.00 0.00 C ATOM 549 O GLU A 38 -6.548 3.679 -5.546 1.00 0.00 O ATOM 550 CB GLU A 38 -8.128 6.438 -6.360 1.00 0.00 C ATOM 551 CG GLU A 38 -9.529 7.047 -6.523 1.00 0.00 C ATOM 552 CD GLU A 38 -9.666 7.890 -7.776 1.00 0.00 C ATOM 553 OE1 GLU A 38 -9.134 9.022 -7.765 1.00 0.00 O ATOM 554 OE2 GLU A 38 -10.410 7.488 -8.703 1.00 0.00 O ATOM 0 H GLU A 38 -8.695 7.056 -4.062 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.883 4.609 -5.519 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.401 7.214 -6.122 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.805 5.972 -7.291 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.267 6.245 -6.549 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.756 7.661 -5.652 1.00 0.00 H new ATOM 561 N MET A 39 -6.001 5.424 -4.229 1.00 0.00 N ATOM 562 CA MET A 39 -4.680 4.945 -3.890 1.00 0.00 C ATOM 563 C MET A 39 -4.857 3.672 -3.070 1.00 0.00 C ATOM 564 O MET A 39 -4.270 2.645 -3.403 1.00 0.00 O ATOM 565 CB MET A 39 -3.960 6.054 -3.138 1.00 0.00 C ATOM 566 CG MET A 39 -2.461 5.884 -2.978 1.00 0.00 C ATOM 567 SD MET A 39 -1.741 7.442 -2.374 1.00 0.00 S ATOM 568 CE MET A 39 0.000 7.248 -2.804 1.00 0.00 C ATOM 0 H MET A 39 -6.234 6.321 -3.802 1.00 0.00 H new ATOM 0 HA MET A 39 -4.072 4.699 -4.761 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.146 6.996 -3.654 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.404 6.141 -2.146 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.248 5.076 -2.278 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.011 5.607 -3.931 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.497 8.217 -2.756 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.474 6.562 -2.102 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.083 6.847 -3.814 1.00 0.00 H new ATOM 578 N ALA A 40 -5.741 3.698 -2.062 1.00 0.00 N ATOM 579 CA ALA A 40 -6.006 2.538 -1.222 1.00 0.00 C ATOM 580 C ALA A 40 -6.524 1.383 -2.083 1.00 0.00 C ATOM 581 O ALA A 40 -6.100 0.244 -1.893 1.00 0.00 O ATOM 582 CB ALA A 40 -7.015 2.893 -0.125 1.00 0.00 C ATOM 0 H ALA A 40 -6.286 4.523 -1.813 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.079 2.227 -0.741 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.203 2.016 0.494 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.612 3.695 0.494 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.949 3.221 -0.582 1.00 0.00 H new ATOM 588 N LYS A 41 -7.436 1.662 -3.024 1.00 0.00 N ATOM 589 CA LYS A 41 -7.996 0.659 -3.932 1.00 0.00 C ATOM 590 C LYS A 41 -6.874 -0.021 -4.705 1.00 0.00 C ATOM 591 O LYS A 41 -6.887 -1.240 -4.826 1.00 0.00 O ATOM 592 CB LYS A 41 -8.996 1.299 -4.908 1.00 0.00 C ATOM 593 CG LYS A 41 -10.339 1.551 -4.226 1.00 0.00 C ATOM 594 CD LYS A 41 -11.254 2.461 -5.050 1.00 0.00 C ATOM 595 CE LYS A 41 -12.555 2.614 -4.274 1.00 0.00 C ATOM 596 NZ LYS A 41 -13.588 3.384 -4.992 1.00 0.00 N ATOM 0 H LYS A 41 -7.807 2.600 -3.176 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.528 -0.085 -3.339 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.592 2.239 -5.284 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.138 0.646 -5.769 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.840 0.598 -4.053 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.167 2.003 -3.249 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.786 3.432 -5.212 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.441 2.030 -6.033 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.948 1.624 -4.043 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.345 3.104 -3.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.444 3.448 -4.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.232 4.341 -5.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.817 2.907 -5.887 1.00 0.00 H new ATOM 610 N ASN A 42 -5.900 0.751 -5.200 1.00 0.00 N ATOM 611 CA ASN A 42 -4.775 0.204 -5.946 1.00 0.00 C ATOM 612 C ASN A 42 -4.021 -0.816 -5.091 1.00 0.00 C ATOM 613 O ASN A 42 -3.669 -1.878 -5.605 1.00 0.00 O ATOM 614 CB ASN A 42 -3.819 1.301 -6.440 1.00 0.00 C ATOM 615 CG ASN A 42 -4.179 1.827 -7.816 1.00 0.00 C ATOM 616 OD1 ASN A 42 -3.586 1.392 -8.799 1.00 0.00 O ATOM 617 ND2 ASN A 42 -5.121 2.742 -7.932 1.00 0.00 N ATOM 0 H ASN A 42 -5.874 1.765 -5.093 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.178 -0.293 -6.828 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -3.825 2.127 -5.729 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.803 0.906 -6.462 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.371 3.103 -8.853 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.600 3.089 -7.101 1.00 0.00 H new ATOM 624 N ILE A 43 -3.770 -0.517 -3.808 1.00 0.00 N ATOM 625 CA ILE A 43 -3.066 -1.432 -2.904 1.00 0.00 C ATOM 626 C ILE A 43 -3.919 -2.696 -2.756 1.00 0.00 C ATOM 627 O ILE A 43 -3.440 -3.816 -2.944 1.00 0.00 O ATOM 628 CB ILE A 43 -2.778 -0.810 -1.514 1.00 0.00 C ATOM 629 CG1 ILE A 43 -2.204 0.620 -1.563 1.00 0.00 C ATOM 630 CG2 ILE A 43 -1.801 -1.734 -0.765 1.00 0.00 C ATOM 631 CD1 ILE A 43 -2.227 1.361 -0.226 1.00 0.00 C ATOM 0 H ILE A 43 -4.049 0.362 -3.372 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.092 -1.661 -3.336 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.735 -0.724 -0.999 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.175 0.572 -1.919 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.768 1.199 -2.294 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.584 -1.315 0.217 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.250 -2.720 -0.647 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.875 -1.823 -1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.805 2.358 -0.355 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.255 1.445 0.126 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.637 0.809 0.506 1.00 0.00 H new ATOM 643 N LEU A 44 -5.211 -2.527 -2.460 1.00 0.00 N ATOM 644 CA LEU A 44 -6.183 -3.603 -2.273 1.00 0.00 C ATOM 645 C LEU A 44 -6.558 -4.338 -3.573 1.00 0.00 C ATOM 646 O LEU A 44 -7.603 -4.991 -3.633 1.00 0.00 O ATOM 647 CB LEU A 44 -7.432 -3.076 -1.556 1.00 0.00 C ATOM 648 CG LEU A 44 -7.210 -2.515 -0.145 1.00 0.00 C ATOM 649 CD1 LEU A 44 -8.519 -1.875 0.314 1.00 0.00 C ATOM 650 CD2 LEU A 44 -6.795 -3.606 0.852 1.00 0.00 C ATOM 0 H LEU A 44 -5.622 -1.601 -2.340 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.695 -4.350 -1.647 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.877 -2.294 -2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.160 -3.885 -1.494 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.400 -1.787 -0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.392 -1.466 1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.793 -1.074 -0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.307 -2.628 0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.649 -3.162 1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.576 -4.364 0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.865 -4.067 0.520 1.00 0.00 H new ATOM 662 N ARG A 45 -5.738 -4.217 -4.617 1.00 0.00 N ATOM 663 CA ARG A 45 -5.899 -4.850 -5.920 1.00 0.00 C ATOM 664 C ARG A 45 -4.541 -5.325 -6.459 1.00 0.00 C ATOM 665 O ARG A 45 -4.468 -5.883 -7.551 1.00 0.00 O ATOM 666 CB ARG A 45 -6.586 -3.855 -6.866 1.00 0.00 C ATOM 667 CG ARG A 45 -7.292 -4.574 -8.021 1.00 0.00 C ATOM 668 CD ARG A 45 -8.007 -3.591 -8.949 1.00 0.00 C ATOM 669 NE ARG A 45 -7.022 -2.762 -9.652 1.00 0.00 N ATOM 670 CZ ARG A 45 -7.268 -1.813 -10.555 1.00 0.00 C ATOM 671 NH1 ARG A 45 -8.511 -1.493 -10.911 1.00 0.00 N ATOM 672 NH2 ARG A 45 -6.228 -1.184 -11.080 1.00 0.00 N ATOM 0 H ARG A 45 -4.897 -3.642 -4.570 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.527 -5.737 -5.836 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.311 -3.262 -6.308 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.846 -3.161 -7.266 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.562 -5.148 -8.592 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.014 -5.285 -7.620 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.617 -4.136 -9.669 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.682 -2.959 -8.373 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.042 -2.930 -9.425 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.303 -1.978 -10.490 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.671 -0.763 -11.605 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -5.282 -1.432 -10.790 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.373 -0.451 -11.775 1.00 0.00 H new ATOM 686 N GLU A 46 -3.459 -5.100 -5.715 1.00 0.00 N ATOM 687 CA GLU A 46 -2.086 -5.473 -6.062 1.00 0.00 C ATOM 688 C GLU A 46 -1.383 -6.201 -4.904 1.00 0.00 C ATOM 689 O GLU A 46 -0.342 -6.814 -5.137 1.00 0.00 O ATOM 690 CB GLU A 46 -1.296 -4.216 -6.463 1.00 0.00 C ATOM 691 CG GLU A 46 -1.693 -3.618 -7.826 1.00 0.00 C ATOM 692 CD GLU A 46 -1.100 -4.383 -9.014 1.00 0.00 C ATOM 693 OE1 GLU A 46 0.134 -4.348 -9.227 1.00 0.00 O ATOM 694 OE2 GLU A 46 -1.876 -4.990 -9.792 1.00 0.00 O ATOM 0 H GLU A 46 -3.517 -4.631 -4.811 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.124 -6.164 -6.904 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.433 -3.456 -5.694 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.234 -4.461 -6.484 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.780 -3.613 -7.911 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.365 -2.580 -7.870 1.00 0.00 H new ATOM 701 N PHE A 47 -1.929 -6.154 -3.682 1.00 0.00 N ATOM 702 CA PHE A 47 -1.407 -6.805 -2.482 1.00 0.00 C ATOM 703 C PHE A 47 -2.515 -7.706 -1.946 1.00 0.00 C ATOM 704 O PHE A 47 -2.367 -8.929 -1.906 1.00 0.00 O ATOM 705 CB PHE A 47 -0.939 -5.792 -1.419 1.00 0.00 C ATOM 706 CG PHE A 47 0.433 -5.209 -1.684 1.00 0.00 C ATOM 707 CD1 PHE A 47 0.608 -4.201 -2.652 1.00 0.00 C ATOM 708 CD2 PHE A 47 1.550 -5.701 -0.980 1.00 0.00 C ATOM 709 CE1 PHE A 47 1.895 -3.713 -2.927 1.00 0.00 C ATOM 710 CE2 PHE A 47 2.835 -5.207 -1.256 1.00 0.00 C ATOM 711 CZ PHE A 47 3.007 -4.222 -2.239 1.00 0.00 C ATOM 0 H PHE A 47 -2.788 -5.635 -3.499 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.520 -7.387 -2.732 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.663 -4.979 -1.363 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.933 -6.281 -0.445 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.246 -3.805 -3.181 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.417 -6.461 -0.225 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.030 -2.942 -3.671 1.00 0.00 H new ATOM 0 HE2 PHE A 47 3.689 -5.585 -0.713 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.997 -3.855 -2.467 1.00 0.00 H new ATOM 721 N SER A 48 -3.604 -7.103 -1.460 1.00 0.00 N ATOM 722 CA SER A 48 -4.744 -7.855 -0.955 1.00 0.00 C ATOM 723 C SER A 48 -5.504 -8.358 -2.191 1.00 0.00 C ATOM 724 O SER A 48 -5.456 -7.723 -3.251 1.00 0.00 O ATOM 725 CB SER A 48 -5.583 -6.956 -0.034 1.00 0.00 C ATOM 726 OG SER A 48 -6.723 -7.582 0.516 1.00 0.00 O ATOM 0 H SER A 48 -3.715 -6.090 -1.408 1.00 0.00 H new ATOM 0 HA SER A 48 -4.458 -8.711 -0.344 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.951 -6.601 0.780 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.902 -6.078 -0.596 1.00 0.00 H new ATOM 0 HG SER A 48 -7.529 -7.237 0.078 1.00 0.00 H new ATOM 865 N LEU B 9 15.667 6.952 -3.592 1.00 0.00 N ATOM 866 CA LEU B 9 14.888 5.801 -3.154 1.00 0.00 C ATOM 867 C LEU B 9 15.560 4.475 -3.487 1.00 0.00 C ATOM 868 O LEU B 9 15.317 3.496 -2.787 1.00 0.00 O ATOM 869 CB LEU B 9 13.482 5.818 -3.785 1.00 0.00 C ATOM 870 CG LEU B 9 12.515 6.878 -3.222 1.00 0.00 C ATOM 871 CD1 LEU B 9 12.704 8.257 -3.856 1.00 0.00 C ATOM 872 CD2 LEU B 9 11.075 6.444 -3.496 1.00 0.00 C ATOM 0 HA LEU B 9 14.814 5.882 -2.070 1.00 0.00 H new ATOM 0 HB2 LEU B 9 13.586 5.980 -4.858 1.00 0.00 H new ATOM 0 HB3 LEU B 9 13.032 4.834 -3.653 1.00 0.00 H new ATOM 0 HG LEU B 9 12.727 6.956 -2.156 1.00 0.00 H new ATOM 0 HD11 LEU B 9 11.995 8.959 -3.418 1.00 0.00 H new ATOM 0 HD12 LEU B 9 13.720 8.606 -3.672 1.00 0.00 H new ATOM 0 HD13 LEU B 9 12.532 8.190 -4.930 1.00 0.00 H new ATOM 0 HD21 LEU B 9 10.388 7.191 -3.099 1.00 0.00 H new ATOM 0 HD22 LEU B 9 10.923 6.346 -4.571 1.00 0.00 H new ATOM 0 HD23 LEU B 9 10.886 5.485 -3.014 1.00 0.00 H new ATOM 884 N SER B 10 16.375 4.410 -4.541 1.00 0.00 N ATOM 885 CA SER B 10 17.071 3.197 -4.942 1.00 0.00 C ATOM 886 C SER B 10 17.872 2.617 -3.771 1.00 0.00 C ATOM 887 O SER B 10 17.800 1.411 -3.518 1.00 0.00 O ATOM 888 CB SER B 10 17.929 3.477 -6.186 1.00 0.00 C ATOM 889 OG SER B 10 18.344 4.833 -6.280 1.00 0.00 O ATOM 0 H SER B 10 16.569 5.210 -5.144 1.00 0.00 H new ATOM 0 HA SER B 10 16.347 2.431 -5.219 1.00 0.00 H new ATOM 0 HB2 SER B 10 18.809 2.834 -6.166 1.00 0.00 H new ATOM 0 HB3 SER B 10 17.362 3.214 -7.079 1.00 0.00 H new ATOM 0 HG SER B 10 18.887 4.954 -7.087 1.00 0.00 H new ATOM 895 N SER B 11 18.578 3.461 -3.017 1.00 0.00 N ATOM 896 CA SER B 11 19.361 2.989 -1.886 1.00 0.00 C ATOM 897 C SER B 11 18.457 2.417 -0.783 1.00 0.00 C ATOM 898 O SER B 11 18.801 1.407 -0.167 1.00 0.00 O ATOM 899 CB SER B 11 20.301 4.107 -1.405 1.00 0.00 C ATOM 900 OG SER B 11 19.656 5.309 -0.996 1.00 0.00 O ATOM 0 H SER B 11 18.621 4.468 -3.172 1.00 0.00 H new ATOM 0 HA SER B 11 19.993 2.157 -2.196 1.00 0.00 H new ATOM 0 HB2 SER B 11 20.892 3.729 -0.571 1.00 0.00 H new ATOM 0 HB3 SER B 11 20.999 4.343 -2.208 1.00 0.00 H new ATOM 0 HG SER B 11 20.329 5.959 -0.706 1.00 0.00 H new ATOM 906 N GLU B 12 17.281 3.007 -0.559 1.00 0.00 N ATOM 907 CA GLU B 12 16.346 2.558 0.465 1.00 0.00 C ATOM 908 C GLU B 12 15.772 1.170 0.139 1.00 0.00 C ATOM 909 O GLU B 12 15.505 0.388 1.054 1.00 0.00 O ATOM 910 CB GLU B 12 15.219 3.582 0.646 1.00 0.00 C ATOM 911 CG GLU B 12 15.656 5.035 0.906 1.00 0.00 C ATOM 912 CD GLU B 12 16.416 5.274 2.221 1.00 0.00 C ATOM 913 OE1 GLU B 12 16.331 4.444 3.158 1.00 0.00 O ATOM 914 OE2 GLU B 12 17.055 6.343 2.343 1.00 0.00 O ATOM 0 H GLU B 12 16.952 3.814 -1.088 1.00 0.00 H new ATOM 0 HA GLU B 12 16.895 2.472 1.402 1.00 0.00 H new ATOM 0 HB2 GLU B 12 14.595 3.567 -0.248 1.00 0.00 H new ATOM 0 HB3 GLU B 12 14.593 3.259 1.477 1.00 0.00 H new ATOM 0 HG2 GLU B 12 16.287 5.360 0.078 1.00 0.00 H new ATOM 0 HG3 GLU B 12 14.769 5.669 0.899 1.00 0.00 H new ATOM 921 N ILE B 13 15.600 0.837 -1.149 1.00 0.00 N ATOM 922 CA ILE B 13 15.076 -0.464 -1.582 1.00 0.00 C ATOM 923 C ILE B 13 16.032 -1.555 -1.097 1.00 0.00 C ATOM 924 O ILE B 13 15.598 -2.561 -0.539 1.00 0.00 O ATOM 925 CB ILE B 13 14.901 -0.513 -3.124 1.00 0.00 C ATOM 926 CG1 ILE B 13 13.822 0.490 -3.581 1.00 0.00 C ATOM 927 CG2 ILE B 13 14.556 -1.922 -3.659 1.00 0.00 C ATOM 928 CD1 ILE B 13 13.744 0.640 -5.102 1.00 0.00 C ATOM 0 H ILE B 13 15.822 1.466 -1.921 1.00 0.00 H new ATOM 0 HA ILE B 13 14.089 -0.625 -1.149 1.00 0.00 H new ATOM 0 HB ILE B 13 15.869 -0.239 -3.543 1.00 0.00 H new ATOM 0 HG12 ILE B 13 12.852 0.167 -3.204 1.00 0.00 H new ATOM 0 HG13 ILE B 13 14.028 1.464 -3.136 1.00 0.00 H new ATOM 0 HG21 ILE B 13 14.448 -1.883 -4.743 1.00 0.00 H new ATOM 0 HG22 ILE B 13 15.355 -2.616 -3.399 1.00 0.00 H new ATOM 0 HG23 ILE B 13 13.621 -2.262 -3.213 1.00 0.00 H new ATOM 0 HD11 ILE B 13 12.966 1.359 -5.357 1.00 0.00 H new ATOM 0 HD12 ILE B 13 14.703 0.992 -5.483 1.00 0.00 H new ATOM 0 HD13 ILE B 13 13.508 -0.325 -5.551 1.00 0.00 H new ATOM 940 N GLU B 14 17.337 -1.360 -1.289 1.00 0.00 N ATOM 941 CA GLU B 14 18.355 -2.325 -0.890 1.00 0.00 C ATOM 942 C GLU B 14 18.332 -2.573 0.618 1.00 0.00 C ATOM 943 O GLU B 14 18.596 -3.692 1.063 1.00 0.00 O ATOM 944 CB GLU B 14 19.730 -1.862 -1.369 1.00 0.00 C ATOM 945 CG GLU B 14 19.782 -1.815 -2.899 1.00 0.00 C ATOM 946 CD GLU B 14 21.119 -1.303 -3.419 1.00 0.00 C ATOM 947 OE1 GLU B 14 22.182 -1.767 -2.941 1.00 0.00 O ATOM 948 OE2 GLU B 14 21.098 -0.451 -4.340 1.00 0.00 O ATOM 0 H GLU B 14 17.717 -0.522 -1.729 1.00 0.00 H new ATOM 0 HA GLU B 14 18.133 -3.280 -1.366 1.00 0.00 H new ATOM 0 HB2 GLU B 14 19.949 -0.875 -0.962 1.00 0.00 H new ATOM 0 HB3 GLU B 14 20.498 -2.539 -0.995 1.00 0.00 H new ATOM 0 HG2 GLU B 14 19.599 -2.813 -3.297 1.00 0.00 H new ATOM 0 HG3 GLU B 14 18.982 -1.173 -3.267 1.00 0.00 H new ATOM 955 N ARG B 15 18.009 -1.548 1.414 1.00 0.00 N ATOM 956 CA ARG B 15 17.925 -1.693 2.866 1.00 0.00 C ATOM 957 C ARG B 15 16.724 -2.589 3.178 1.00 0.00 C ATOM 958 O ARG B 15 16.806 -3.444 4.055 1.00 0.00 O ATOM 959 CB ARG B 15 17.785 -0.326 3.542 1.00 0.00 C ATOM 960 CG ARG B 15 19.021 0.575 3.397 1.00 0.00 C ATOM 961 CD ARG B 15 18.651 1.984 3.871 1.00 0.00 C ATOM 962 NE ARG B 15 19.806 2.887 3.942 1.00 0.00 N ATOM 963 CZ ARG B 15 19.760 4.084 4.541 1.00 0.00 C ATOM 964 NH1 ARG B 15 18.591 4.668 4.814 1.00 0.00 N ATOM 965 NH2 ARG B 15 20.904 4.676 4.877 1.00 0.00 N ATOM 0 H ARG B 15 17.802 -0.609 1.074 1.00 0.00 H new ATOM 0 HA ARG B 15 18.837 -2.146 3.254 1.00 0.00 H new ATOM 0 HB2 ARG B 15 16.922 0.189 3.121 1.00 0.00 H new ATOM 0 HB3 ARG B 15 17.580 -0.476 4.602 1.00 0.00 H new ATOM 0 HG2 ARG B 15 19.848 0.181 3.987 1.00 0.00 H new ATOM 0 HG3 ARG B 15 19.353 0.599 2.359 1.00 0.00 H new ATOM 0 HD2 ARG B 15 17.908 2.406 3.194 1.00 0.00 H new ATOM 0 HD3 ARG B 15 18.186 1.920 4.855 1.00 0.00 H new ATOM 0 HE ARG B 15 20.684 2.589 3.516 1.00 0.00 H new ATOM 0 HH11 ARG B 15 17.718 4.202 4.566 1.00 0.00 H new ATOM 0 HH12 ARG B 15 18.571 5.580 5.271 1.00 0.00 H new ATOM 0 HH21 ARG B 15 21.793 4.218 4.677 1.00 0.00 H new ATOM 0 HH22 ARG B 15 20.891 5.588 5.334 1.00 0.00 H new ATOM 979 N LEU B 16 15.604 -2.424 2.462 1.00 0.00 N ATOM 980 CA LEU B 16 14.422 -3.261 2.681 1.00 0.00 C ATOM 981 C LEU B 16 14.736 -4.710 2.302 1.00 0.00 C ATOM 982 O LEU B 16 14.228 -5.624 2.957 1.00 0.00 O ATOM 983 CB LEU B 16 13.199 -2.735 1.915 1.00 0.00 C ATOM 984 CG LEU B 16 12.550 -1.525 2.601 1.00 0.00 C ATOM 985 CD1 LEU B 16 11.603 -0.831 1.615 1.00 0.00 C ATOM 986 CD2 LEU B 16 11.781 -1.945 3.864 1.00 0.00 C ATOM 0 H LEU B 16 15.494 -1.722 1.730 1.00 0.00 H new ATOM 0 HA LEU B 16 14.167 -3.222 3.740 1.00 0.00 H new ATOM 0 HB2 LEU B 16 13.499 -2.458 0.905 1.00 0.00 H new ATOM 0 HB3 LEU B 16 12.463 -3.533 1.821 1.00 0.00 H new ATOM 0 HG LEU B 16 13.337 -0.835 2.905 1.00 0.00 H new ATOM 0 HD11 LEU B 16 11.140 0.029 2.099 1.00 0.00 H new ATOM 0 HD12 LEU B 16 12.166 -0.497 0.743 1.00 0.00 H new ATOM 0 HD13 LEU B 16 10.829 -1.531 1.301 1.00 0.00 H new ATOM 0 HD21 LEU B 16 11.333 -1.066 4.327 1.00 0.00 H new ATOM 0 HD22 LEU B 16 10.997 -2.652 3.594 1.00 0.00 H new ATOM 0 HD23 LEU B 16 12.467 -2.416 4.568 1.00 0.00 H new ATOM 998 N MET B 17 15.599 -4.940 1.299 1.00 0.00 N ATOM 999 CA MET B 17 15.967 -6.299 0.918 1.00 0.00 C ATOM 1000 C MET B 17 16.626 -6.993 2.111 1.00 0.00 C ATOM 1001 O MET B 17 16.473 -8.208 2.256 1.00 0.00 O ATOM 1002 CB MET B 17 16.945 -6.356 -0.266 1.00 0.00 C ATOM 1003 CG MET B 17 16.441 -5.737 -1.568 1.00 0.00 C ATOM 1004 SD MET B 17 17.538 -6.108 -2.962 1.00 0.00 S ATOM 1005 CE MET B 17 16.648 -5.255 -4.283 1.00 0.00 C ATOM 0 H MET B 17 16.046 -4.208 0.748 1.00 0.00 H new ATOM 0 HA MET B 17 15.047 -6.797 0.612 1.00 0.00 H new ATOM 0 HB2 MET B 17 17.867 -5.851 0.023 1.00 0.00 H new ATOM 0 HB3 MET B 17 17.199 -7.399 -0.455 1.00 0.00 H new ATOM 0 HG2 MET B 17 15.440 -6.111 -1.784 1.00 0.00 H new ATOM 0 HG3 MET B 17 16.359 -4.657 -1.448 1.00 0.00 H new ATOM 0 HE1 MET B 17 16.933 -5.678 -5.246 1.00 0.00 H new ATOM 0 HE2 MET B 17 15.575 -5.377 -4.136 1.00 0.00 H new ATOM 0 HE3 MET B 17 16.898 -4.194 -4.264 1.00 0.00 H new ATOM 1015 N SER B 18 17.339 -6.232 2.954 1.00 0.00 N ATOM 1016 CA SER B 18 18.032 -6.704 4.142 1.00 0.00 C ATOM 1017 C SER B 18 17.033 -7.326 5.113 1.00 0.00 C ATOM 1018 O SER B 18 17.265 -8.444 5.582 1.00 0.00 O ATOM 1019 CB SER B 18 18.785 -5.538 4.798 1.00 0.00 C ATOM 1020 OG SER B 18 19.831 -6.018 5.605 1.00 0.00 O ATOM 0 H SER B 18 17.448 -5.228 2.812 1.00 0.00 H new ATOM 0 HA SER B 18 18.757 -7.469 3.863 1.00 0.00 H new ATOM 0 HB2 SER B 18 19.185 -4.877 4.029 1.00 0.00 H new ATOM 0 HB3 SER B 18 18.096 -4.946 5.400 1.00 0.00 H new ATOM 0 HG SER B 18 20.302 -5.262 6.014 1.00 0.00 H new ATOM 1026 N GLN B 19 15.926 -6.624 5.400 1.00 0.00 N ATOM 1027 CA GLN B 19 14.884 -7.111 6.309 1.00 0.00 C ATOM 1028 C GLN B 19 14.328 -8.441 5.787 1.00 0.00 C ATOM 1029 O GLN B 19 14.006 -9.326 6.580 1.00 0.00 O ATOM 1030 CB GLN B 19 13.777 -6.056 6.483 1.00 0.00 C ATOM 1031 CG GLN B 19 14.249 -4.741 7.135 1.00 0.00 C ATOM 1032 CD GLN B 19 14.417 -4.813 8.657 1.00 0.00 C ATOM 1033 OE1 GLN B 19 13.515 -4.437 9.406 1.00 0.00 O ATOM 1034 NE2 GLN B 19 15.567 -5.234 9.166 1.00 0.00 N ATOM 0 H GLN B 19 15.731 -5.703 5.007 1.00 0.00 H new ATOM 0 HA GLN B 19 15.316 -7.286 7.295 1.00 0.00 H new ATOM 0 HB2 GLN B 19 13.350 -5.830 5.506 1.00 0.00 H new ATOM 0 HB3 GLN B 19 12.978 -6.482 7.090 1.00 0.00 H new ATOM 0 HG2 GLN B 19 15.201 -4.450 6.690 1.00 0.00 H new ATOM 0 HG3 GLN B 19 13.533 -3.954 6.898 1.00 0.00 H new ATOM 0 HE21 GLN B 19 16.315 -5.546 8.547 1.00 0.00 H new ATOM 0 HE22 GLN B 19 15.703 -5.246 10.177 1.00 0.00 H new ATOM 1043 N GLY B 20 14.285 -8.588 4.459 1.00 0.00 N ATOM 1044 CA GLY B 20 13.818 -9.770 3.764 1.00 0.00 C ATOM 1045 C GLY B 20 12.741 -9.494 2.719 1.00 0.00 C ATOM 1046 O GLY B 20 12.341 -10.432 2.027 1.00 0.00 O ATOM 0 H GLY B 20 14.589 -7.851 3.822 1.00 0.00 H new ATOM 0 HA2 GLY B 20 14.666 -10.251 3.277 1.00 0.00 H new ATOM 0 HA3 GLY B 20 13.427 -10.477 4.495 1.00 0.00 H new ATOM 1050 N TYR B 21 12.284 -8.246 2.567 1.00 0.00 N ATOM 1051 CA TYR B 21 11.258 -7.914 1.588 1.00 0.00 C ATOM 1052 C TYR B 21 11.772 -8.168 0.171 1.00 0.00 C ATOM 1053 O TYR B 21 12.927 -7.857 -0.153 1.00 0.00 O ATOM 1054 CB TYR B 21 10.778 -6.467 1.764 1.00 0.00 C ATOM 1055 CG TYR B 21 10.077 -6.258 3.091 1.00 0.00 C ATOM 1056 CD1 TYR B 21 8.816 -6.847 3.303 1.00 0.00 C ATOM 1057 CD2 TYR B 21 10.715 -5.568 4.140 1.00 0.00 C ATOM 1058 CE1 TYR B 21 8.220 -6.795 4.571 1.00 0.00 C ATOM 1059 CE2 TYR B 21 10.123 -5.520 5.418 1.00 0.00 C ATOM 1060 CZ TYR B 21 8.887 -6.169 5.646 1.00 0.00 C ATOM 1061 OH TYR B 21 8.347 -6.233 6.893 1.00 0.00 O ATOM 0 H TYR B 21 12.614 -7.451 3.114 1.00 0.00 H new ATOM 0 HA TYR B 21 10.398 -8.563 1.754 1.00 0.00 H new ATOM 0 HB2 TYR B 21 11.631 -5.791 1.694 1.00 0.00 H new ATOM 0 HB3 TYR B 21 10.099 -6.209 0.951 1.00 0.00 H new ATOM 0 HD1 TYR B 21 8.307 -7.340 2.488 1.00 0.00 H new ATOM 0 HD2 TYR B 21 11.660 -5.075 3.965 1.00 0.00 H new ATOM 0 HE1 TYR B 21 7.246 -7.236 4.726 1.00 0.00 H new ATOM 0 HE2 TYR B 21 10.612 -4.989 6.221 1.00 0.00 H new ATOM 0 HH TYR B 21 7.621 -5.579 6.969 1.00 0.00 H new ATOM 1071 N SER B 22 10.936 -8.784 -0.658 1.00 0.00 N ATOM 1072 CA SER B 22 11.253 -9.086 -2.040 1.00 0.00 C ATOM 1073 C SER B 22 11.188 -7.793 -2.848 1.00 0.00 C ATOM 1074 O SER B 22 10.371 -6.910 -2.585 1.00 0.00 O ATOM 1075 CB SER B 22 10.263 -10.127 -2.573 1.00 0.00 C ATOM 1076 OG SER B 22 10.610 -11.399 -2.061 1.00 0.00 O ATOM 0 H SER B 22 10.004 -9.091 -0.379 1.00 0.00 H new ATOM 0 HA SER B 22 12.257 -9.502 -2.124 1.00 0.00 H new ATOM 0 HB2 SER B 22 9.247 -9.866 -2.276 1.00 0.00 H new ATOM 0 HB3 SER B 22 10.283 -10.142 -3.663 1.00 0.00 H new ATOM 0 HG SER B 22 9.979 -12.070 -2.397 1.00 0.00 H new ATOM 1082 N TYR B 23 12.032 -7.689 -3.871 1.00 0.00 N ATOM 1083 CA TYR B 23 12.090 -6.531 -4.750 1.00 0.00 C ATOM 1084 C TYR B 23 10.714 -6.280 -5.384 1.00 0.00 C ATOM 1085 O TYR B 23 10.325 -5.128 -5.574 1.00 0.00 O ATOM 1086 CB TYR B 23 13.186 -6.771 -5.789 1.00 0.00 C ATOM 1087 CG TYR B 23 13.261 -5.701 -6.851 1.00 0.00 C ATOM 1088 CD1 TYR B 23 13.791 -4.431 -6.557 1.00 0.00 C ATOM 1089 CD2 TYR B 23 12.747 -5.970 -8.129 1.00 0.00 C ATOM 1090 CE1 TYR B 23 13.813 -3.428 -7.543 1.00 0.00 C ATOM 1091 CE2 TYR B 23 12.755 -4.975 -9.115 1.00 0.00 C ATOM 1092 CZ TYR B 23 13.297 -3.701 -8.834 1.00 0.00 C ATOM 1093 OH TYR B 23 13.249 -2.735 -9.794 1.00 0.00 O ATOM 0 H TYR B 23 12.703 -8.418 -4.114 1.00 0.00 H new ATOM 0 HA TYR B 23 12.340 -5.629 -4.192 1.00 0.00 H new ATOM 0 HB2 TYR B 23 14.148 -6.834 -5.281 1.00 0.00 H new ATOM 0 HB3 TYR B 23 13.015 -7.735 -6.268 1.00 0.00 H new ATOM 0 HD1 TYR B 23 14.182 -4.226 -5.571 1.00 0.00 H new ATOM 0 HD2 TYR B 23 12.344 -6.947 -8.353 1.00 0.00 H new ATOM 0 HE1 TYR B 23 14.221 -2.454 -7.317 1.00 0.00 H new ATOM 0 HE2 TYR B 23 12.346 -5.182 -10.093 1.00 0.00 H new ATOM 0 HH TYR B 23 12.865 -3.108 -10.615 1.00 0.00 H new ATOM 1103 N GLN B 24 9.969 -7.357 -5.671 1.00 0.00 N ATOM 1104 CA GLN B 24 8.632 -7.298 -6.253 1.00 0.00 C ATOM 1105 C GLN B 24 7.720 -6.454 -5.351 1.00 0.00 C ATOM 1106 O GLN B 24 7.120 -5.485 -5.809 1.00 0.00 O ATOM 1107 CB GLN B 24 8.038 -8.712 -6.398 1.00 0.00 C ATOM 1108 CG GLN B 24 8.838 -9.693 -7.272 1.00 0.00 C ATOM 1109 CD GLN B 24 8.135 -11.052 -7.397 1.00 0.00 C ATOM 1110 OE1 GLN B 24 7.197 -11.364 -6.666 1.00 0.00 O ATOM 1111 NE2 GLN B 24 8.517 -11.878 -8.352 1.00 0.00 N ATOM 0 H GLN B 24 10.291 -8.310 -5.499 1.00 0.00 H new ATOM 0 HA GLN B 24 8.702 -6.845 -7.242 1.00 0.00 H new ATOM 0 HB2 GLN B 24 7.934 -9.145 -5.403 1.00 0.00 H new ATOM 0 HB3 GLN B 24 7.034 -8.622 -6.813 1.00 0.00 H new ATOM 0 HG2 GLN B 24 8.978 -9.264 -8.264 1.00 0.00 H new ATOM 0 HG3 GLN B 24 9.830 -9.835 -6.843 1.00 0.00 H new ATOM 0 HE21 GLN B 24 9.294 -11.627 -8.963 1.00 0.00 H new ATOM 0 HE22 GLN B 24 8.035 -12.768 -8.480 1.00 0.00 H new ATOM 1120 N ASP B 25 7.630 -6.823 -4.068 1.00 0.00 N ATOM 1121 CA ASP B 25 6.818 -6.149 -3.057 1.00 0.00 C ATOM 1122 C ASP B 25 7.211 -4.682 -2.974 1.00 0.00 C ATOM 1123 O ASP B 25 6.356 -3.803 -3.026 1.00 0.00 O ATOM 1124 CB ASP B 25 7.062 -6.766 -1.665 1.00 0.00 C ATOM 1125 CG ASP B 25 6.177 -7.954 -1.338 1.00 0.00 C ATOM 1126 OD1 ASP B 25 5.045 -7.721 -0.862 1.00 0.00 O ATOM 1127 OD2 ASP B 25 6.655 -9.099 -1.501 1.00 0.00 O ATOM 0 H ASP B 25 8.138 -7.625 -3.696 1.00 0.00 H new ATOM 0 HA ASP B 25 5.772 -6.260 -3.343 1.00 0.00 H new ATOM 0 HB2 ASP B 25 8.105 -7.077 -1.597 1.00 0.00 H new ATOM 0 HB3 ASP B 25 6.909 -5.996 -0.909 1.00 0.00 H new ATOM 1132 N ILE B 26 8.512 -4.407 -2.851 1.00 0.00 N ATOM 1133 CA ILE B 26 9.013 -3.044 -2.734 1.00 0.00 C ATOM 1134 C ILE B 26 8.583 -2.206 -3.946 1.00 0.00 C ATOM 1135 O ILE B 26 8.067 -1.102 -3.768 1.00 0.00 O ATOM 1136 CB ILE B 26 10.536 -3.028 -2.462 1.00 0.00 C ATOM 1137 CG1 ILE B 26 10.952 -3.882 -1.237 1.00 0.00 C ATOM 1138 CG2 ILE B 26 10.961 -1.572 -2.209 1.00 0.00 C ATOM 1139 CD1 ILE B 26 12.439 -4.267 -1.264 1.00 0.00 C ATOM 0 H ILE B 26 9.240 -5.121 -2.830 1.00 0.00 H new ATOM 0 HA ILE B 26 8.561 -2.568 -1.864 1.00 0.00 H new ATOM 0 HB ILE B 26 11.028 -3.460 -3.334 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.741 -3.327 -0.323 1.00 0.00 H new ATOM 0 HG13 ILE B 26 10.346 -4.788 -1.207 1.00 0.00 H new ATOM 0 HG21 ILE B 26 12.033 -1.534 -2.014 1.00 0.00 H new ATOM 0 HG22 ILE B 26 10.730 -0.968 -3.086 1.00 0.00 H new ATOM 0 HG23 ILE B 26 10.422 -1.180 -1.347 1.00 0.00 H new ATOM 0 HD11 ILE B 26 12.676 -4.864 -0.384 1.00 0.00 H new ATOM 0 HD12 ILE B 26 12.648 -4.847 -2.163 1.00 0.00 H new ATOM 0 HD13 ILE B 26 13.049 -3.364 -1.265 1.00 0.00 H new ATOM 1151 N GLN B 27 8.783 -2.695 -5.172 1.00 0.00 N ATOM 1152 CA GLN B 27 8.398 -1.965 -6.376 1.00 0.00 C ATOM 1153 C GLN B 27 6.886 -1.756 -6.475 1.00 0.00 C ATOM 1154 O GLN B 27 6.450 -0.662 -6.848 1.00 0.00 O ATOM 1155 CB GLN B 27 8.909 -2.690 -7.624 1.00 0.00 C ATOM 1156 CG GLN B 27 10.398 -2.439 -7.870 1.00 0.00 C ATOM 1157 CD GLN B 27 10.682 -0.975 -8.210 1.00 0.00 C ATOM 1158 OE1 GLN B 27 10.305 -0.466 -9.263 1.00 0.00 O ATOM 1159 NE2 GLN B 27 11.323 -0.232 -7.324 1.00 0.00 N ATOM 0 H GLN B 27 9.213 -3.602 -5.355 1.00 0.00 H new ATOM 0 HA GLN B 27 8.859 -0.979 -6.311 1.00 0.00 H new ATOM 0 HB2 GLN B 27 8.736 -3.761 -7.516 1.00 0.00 H new ATOM 0 HB3 GLN B 27 8.339 -2.361 -8.492 1.00 0.00 H new ATOM 0 HG2 GLN B 27 10.965 -2.722 -6.983 1.00 0.00 H new ATOM 0 HG3 GLN B 27 10.743 -3.074 -8.686 1.00 0.00 H new ATOM 0 HE21 GLN B 27 11.640 -0.644 -6.447 1.00 0.00 H new ATOM 0 HE22 GLN B 27 11.500 0.754 -7.518 1.00 0.00 H new ATOM 1168 N LYS B 28 6.078 -2.775 -6.179 1.00 0.00 N ATOM 1169 CA LYS B 28 4.620 -2.655 -6.235 1.00 0.00 C ATOM 1170 C LYS B 28 4.169 -1.631 -5.199 1.00 0.00 C ATOM 1171 O LYS B 28 3.312 -0.794 -5.484 1.00 0.00 O ATOM 1172 CB LYS B 28 3.975 -4.031 -6.003 1.00 0.00 C ATOM 1173 CG LYS B 28 4.169 -4.919 -7.240 1.00 0.00 C ATOM 1174 CD LYS B 28 3.589 -6.323 -7.042 1.00 0.00 C ATOM 1175 CE LYS B 28 4.190 -7.329 -8.034 1.00 0.00 C ATOM 1176 NZ LYS B 28 3.996 -6.962 -9.453 1.00 0.00 N ATOM 0 H LYS B 28 6.411 -3.697 -5.897 1.00 0.00 H new ATOM 0 HA LYS B 28 4.302 -2.309 -7.219 1.00 0.00 H new ATOM 0 HB2 LYS B 28 4.421 -4.508 -5.130 1.00 0.00 H new ATOM 0 HB3 LYS B 28 2.912 -3.912 -5.794 1.00 0.00 H new ATOM 0 HG2 LYS B 28 3.693 -4.449 -8.101 1.00 0.00 H new ATOM 0 HG3 LYS B 28 5.232 -4.996 -7.467 1.00 0.00 H new ATOM 0 HD2 LYS B 28 3.783 -6.657 -6.023 1.00 0.00 H new ATOM 0 HD3 LYS B 28 2.507 -6.291 -7.167 1.00 0.00 H new ATOM 0 HE2 LYS B 28 5.258 -7.425 -7.837 1.00 0.00 H new ATOM 0 HE3 LYS B 28 3.744 -8.308 -7.858 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 4.382 -7.712 -10.061 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 2.981 -6.848 -9.646 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 4.488 -6.068 -9.651 1.00 0.00 H new ATOM 1190 N ALA B 29 4.758 -1.660 -4.003 1.00 0.00 N ATOM 1191 CA ALA B 29 4.413 -0.716 -2.961 1.00 0.00 C ATOM 1192 C ALA B 29 4.768 0.699 -3.423 1.00 0.00 C ATOM 1193 O ALA B 29 3.942 1.599 -3.314 1.00 0.00 O ATOM 1194 CB ALA B 29 5.095 -1.087 -1.642 1.00 0.00 C ATOM 0 H ALA B 29 5.478 -2.333 -3.740 1.00 0.00 H new ATOM 0 HA ALA B 29 3.340 -0.751 -2.774 1.00 0.00 H new ATOM 0 HB1 ALA B 29 4.821 -0.363 -0.874 1.00 0.00 H new ATOM 0 HB2 ALA B 29 4.774 -2.082 -1.334 1.00 0.00 H new ATOM 0 HB3 ALA B 29 6.177 -1.080 -1.777 1.00 0.00 H new ATOM 1200 N LEU B 30 5.964 0.892 -3.987 1.00 0.00 N ATOM 1201 CA LEU B 30 6.459 2.183 -4.456 1.00 0.00 C ATOM 1202 C LEU B 30 5.641 2.818 -5.571 1.00 0.00 C ATOM 1203 O LEU B 30 5.428 4.028 -5.525 1.00 0.00 O ATOM 1204 CB LEU B 30 7.915 2.047 -4.935 1.00 0.00 C ATOM 1205 CG LEU B 30 8.950 2.083 -3.803 1.00 0.00 C ATOM 1206 CD1 LEU B 30 10.331 1.729 -4.364 1.00 0.00 C ATOM 1207 CD2 LEU B 30 9.020 3.479 -3.180 1.00 0.00 C ATOM 0 H LEU B 30 6.630 0.133 -4.132 1.00 0.00 H new ATOM 0 HA LEU B 30 6.376 2.845 -3.594 1.00 0.00 H new ATOM 0 HB2 LEU B 30 8.021 1.109 -5.481 1.00 0.00 H new ATOM 0 HB3 LEU B 30 8.132 2.851 -5.638 1.00 0.00 H new ATOM 0 HG LEU B 30 8.652 1.363 -3.041 1.00 0.00 H new ATOM 0 HD11 LEU B 30 11.067 1.754 -3.561 1.00 0.00 H new ATOM 0 HD12 LEU B 30 10.302 0.730 -4.798 1.00 0.00 H new ATOM 0 HD13 LEU B 30 10.608 2.451 -5.132 1.00 0.00 H new ATOM 0 HD21 LEU B 30 9.760 3.483 -2.379 1.00 0.00 H new ATOM 0 HD22 LEU B 30 9.306 4.204 -3.942 1.00 0.00 H new ATOM 0 HD23 LEU B 30 8.044 3.746 -2.774 1.00 0.00 H new ATOM 1219 N VAL B 31 5.246 2.065 -6.599 1.00 0.00 N ATOM 1220 CA VAL B 31 4.476 2.629 -7.708 1.00 0.00 C ATOM 1221 C VAL B 31 3.109 3.127 -7.215 1.00 0.00 C ATOM 1222 O VAL B 31 2.706 4.248 -7.530 1.00 0.00 O ATOM 1223 CB VAL B 31 4.454 1.632 -8.888 1.00 0.00 C ATOM 1224 CG1 VAL B 31 3.577 0.398 -8.670 1.00 0.00 C ATOM 1225 CG2 VAL B 31 4.029 2.297 -10.197 1.00 0.00 C ATOM 0 H VAL B 31 5.445 1.069 -6.686 1.00 0.00 H new ATOM 0 HA VAL B 31 4.954 3.524 -8.107 1.00 0.00 H new ATOM 0 HB VAL B 31 5.488 1.294 -8.950 1.00 0.00 H new ATOM 0 HG11 VAL B 31 3.625 -0.243 -9.551 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.934 -0.153 -7.800 1.00 0.00 H new ATOM 0 HG13 VAL B 31 2.546 0.709 -8.503 1.00 0.00 H new ATOM 0 HG21 VAL B 31 4.028 1.557 -10.998 1.00 0.00 H new ATOM 0 HG22 VAL B 31 3.027 2.712 -10.086 1.00 0.00 H new ATOM 0 HG23 VAL B 31 4.728 3.097 -10.443 1.00 0.00 H new ATOM 1235 N ILE B 32 2.423 2.333 -6.390 1.00 0.00 N ATOM 1236 CA ILE B 32 1.116 2.678 -5.838 1.00 0.00 C ATOM 1237 C ILE B 32 1.282 3.826 -4.839 1.00 0.00 C ATOM 1238 O ILE B 32 0.442 4.716 -4.786 1.00 0.00 O ATOM 1239 CB ILE B 32 0.485 1.420 -5.208 1.00 0.00 C ATOM 1240 CG1 ILE B 32 0.294 0.302 -6.263 1.00 0.00 C ATOM 1241 CG2 ILE B 32 -0.853 1.770 -4.541 1.00 0.00 C ATOM 1242 CD1 ILE B 32 0.050 -1.089 -5.676 1.00 0.00 C ATOM 0 H ILE B 32 2.766 1.422 -6.084 1.00 0.00 H new ATOM 0 HA ILE B 32 0.437 3.023 -6.618 1.00 0.00 H new ATOM 0 HB ILE B 32 1.167 1.045 -4.445 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -0.548 0.565 -6.904 1.00 0.00 H new ATOM 0 HG13 ILE B 32 1.179 0.264 -6.898 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -1.286 0.872 -4.101 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -0.687 2.513 -3.761 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -1.537 2.174 -5.287 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -0.073 -1.809 -6.485 1.00 0.00 H new ATOM 0 HD12 ILE B 32 0.901 -1.378 -5.059 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -0.852 -1.073 -5.065 1.00 0.00 H new ATOM 1254 N ALA B 33 2.383 3.856 -4.080 1.00 0.00 N ATOM 1255 CA ALA B 33 2.673 4.897 -3.102 1.00 0.00 C ATOM 1256 C ALA B 33 3.100 6.226 -3.761 1.00 0.00 C ATOM 1257 O ALA B 33 3.617 7.105 -3.069 1.00 0.00 O ATOM 1258 CB ALA B 33 3.747 4.402 -2.130 1.00 0.00 C ATOM 0 H ALA B 33 3.108 3.141 -4.133 1.00 0.00 H new ATOM 0 HA ALA B 33 1.753 5.106 -2.556 1.00 0.00 H new ATOM 0 HB1 ALA B 33 3.963 5.181 -1.399 1.00 0.00 H new ATOM 0 HB2 ALA B 33 3.389 3.511 -1.615 1.00 0.00 H new ATOM 0 HB3 ALA B 33 4.655 4.161 -2.683 1.00 0.00 H new ATOM 1264 N HIS B 34 2.921 6.384 -5.079 1.00 0.00 N ATOM 1265 CA HIS B 34 3.288 7.570 -5.853 1.00 0.00 C ATOM 1266 C HIS B 34 4.765 7.908 -5.605 1.00 0.00 C ATOM 1267 O HIS B 34 5.136 9.048 -5.322 1.00 0.00 O ATOM 1268 CB HIS B 34 2.325 8.745 -5.594 1.00 0.00 C ATOM 1269 CG HIS B 34 0.867 8.503 -5.928 1.00 0.00 C ATOM 1270 ND1 HIS B 34 -0.163 9.365 -5.623 1.00 0.00 N ATOM 1271 CD2 HIS B 34 0.315 7.425 -6.572 1.00 0.00 C ATOM 1272 CE1 HIS B 34 -1.306 8.820 -6.071 1.00 0.00 C ATOM 1273 NE2 HIS B 34 -1.065 7.636 -6.656 1.00 0.00 N ATOM 0 H HIS B 34 2.499 5.657 -5.656 1.00 0.00 H new ATOM 0 HA HIS B 34 3.181 7.357 -6.917 1.00 0.00 H new ATOM 0 HB2 HIS B 34 2.394 9.019 -4.541 1.00 0.00 H new ATOM 0 HB3 HIS B 34 2.670 9.604 -6.170 1.00 0.00 H new ATOM 0 HD2 HIS B 34 0.851 6.566 -6.948 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -2.282 9.271 -5.974 1.00 0.00 H new ATOM 0 HE2 HIS B 34 -1.753 7.013 -7.079 1.00 0.00 H new ATOM 1281 N ASN B 35 5.616 6.887 -5.745 1.00 0.00 N ATOM 1282 CA ASN B 35 7.063 6.919 -5.565 1.00 0.00 C ATOM 1283 C ASN B 35 7.483 7.457 -4.194 1.00 0.00 C ATOM 1284 O ASN B 35 8.371 8.302 -4.089 1.00 0.00 O ATOM 1285 CB ASN B 35 7.767 7.604 -6.754 1.00 0.00 C ATOM 1286 CG ASN B 35 9.087 6.906 -7.054 1.00 0.00 C ATOM 1287 OD1 ASN B 35 9.074 5.737 -7.435 1.00 0.00 O ATOM 1288 ND2 ASN B 35 10.224 7.564 -6.974 1.00 0.00 N ATOM 0 H ASN B 35 5.286 5.957 -6.004 1.00 0.00 H new ATOM 0 HA ASN B 35 7.412 5.886 -5.566 1.00 0.00 H new ATOM 0 HB2 ASN B 35 7.123 7.575 -7.633 1.00 0.00 H new ATOM 0 HB3 ASN B 35 7.946 8.654 -6.524 1.00 0.00 H new ATOM 0 HD21 ASN B 35 11.098 7.104 -7.229 1.00 0.00 H new ATOM 0 HD22 ASN B 35 10.231 8.534 -6.658 1.00 0.00 H new ATOM 1295 N ASN B 36 6.843 6.975 -3.125 1.00 0.00 N ATOM 1296 CA ASN B 36 7.133 7.367 -1.748 1.00 0.00 C ATOM 1297 C ASN B 36 7.558 6.121 -0.984 1.00 0.00 C ATOM 1298 O ASN B 36 6.742 5.236 -0.731 1.00 0.00 O ATOM 1299 CB ASN B 36 5.930 8.046 -1.091 1.00 0.00 C ATOM 1300 CG ASN B 36 6.265 8.570 0.302 1.00 0.00 C ATOM 1301 OD1 ASN B 36 7.187 8.097 0.956 1.00 0.00 O ATOM 1302 ND2 ASN B 36 5.526 9.539 0.799 1.00 0.00 N ATOM 0 H ASN B 36 6.093 6.287 -3.197 1.00 0.00 H new ATOM 0 HA ASN B 36 7.939 8.101 -1.735 1.00 0.00 H new ATOM 0 HB2 ASN B 36 5.591 8.871 -1.718 1.00 0.00 H new ATOM 0 HB3 ASN B 36 5.105 7.337 -1.024 1.00 0.00 H new ATOM 0 HD21 ASN B 36 5.719 9.900 1.733 1.00 0.00 H new ATOM 0 HD22 ASN B 36 4.760 9.929 0.250 1.00 0.00 H new ATOM 1309 N ILE B 37 8.847 6.030 -0.664 1.00 0.00 N ATOM 1310 CA ILE B 37 9.431 4.909 0.058 1.00 0.00 C ATOM 1311 C ILE B 37 8.869 4.777 1.475 1.00 0.00 C ATOM 1312 O ILE B 37 8.682 3.662 1.945 1.00 0.00 O ATOM 1313 CB ILE B 37 10.972 5.049 0.043 1.00 0.00 C ATOM 1314 CG1 ILE B 37 11.686 3.845 0.679 1.00 0.00 C ATOM 1315 CG2 ILE B 37 11.488 6.352 0.678 1.00 0.00 C ATOM 1316 CD1 ILE B 37 11.837 2.660 -0.281 1.00 0.00 C ATOM 0 H ILE B 37 9.527 6.751 -0.906 1.00 0.00 H new ATOM 0 HA ILE B 37 9.159 3.981 -0.446 1.00 0.00 H new ATOM 0 HB ILE B 37 11.221 5.083 -1.018 1.00 0.00 H new ATOM 0 HG12 ILE B 37 12.673 4.155 1.022 1.00 0.00 H new ATOM 0 HG13 ILE B 37 11.129 3.523 1.559 1.00 0.00 H new ATOM 0 HG21 ILE B 37 12.577 6.375 0.629 1.00 0.00 H new ATOM 0 HG22 ILE B 37 11.082 7.206 0.136 1.00 0.00 H new ATOM 0 HG23 ILE B 37 11.171 6.399 1.720 1.00 0.00 H new ATOM 0 HD11 ILE B 37 12.348 1.843 0.227 1.00 0.00 H new ATOM 0 HD12 ILE B 37 10.851 2.326 -0.604 1.00 0.00 H new ATOM 0 HD13 ILE B 37 12.419 2.967 -1.150 1.00 0.00 H new ATOM 1328 N GLU B 38 8.608 5.875 2.176 1.00 0.00 N ATOM 1329 CA GLU B 38 8.094 5.845 3.544 1.00 0.00 C ATOM 1330 C GLU B 38 6.681 5.272 3.543 1.00 0.00 C ATOM 1331 O GLU B 38 6.377 4.339 4.289 1.00 0.00 O ATOM 1332 CB GLU B 38 8.127 7.256 4.148 1.00 0.00 C ATOM 1333 CG GLU B 38 9.576 7.756 4.195 1.00 0.00 C ATOM 1334 CD GLU B 38 9.689 9.212 4.624 1.00 0.00 C ATOM 1335 OE1 GLU B 38 9.544 9.484 5.836 1.00 0.00 O ATOM 1336 OE2 GLU B 38 10.075 10.038 3.759 1.00 0.00 O ATOM 0 H GLU B 38 8.747 6.817 1.811 1.00 0.00 H new ATOM 0 HA GLU B 38 8.723 5.204 4.161 1.00 0.00 H new ATOM 0 HB2 GLU B 38 7.516 7.933 3.551 1.00 0.00 H new ATOM 0 HB3 GLU B 38 7.702 7.244 5.152 1.00 0.00 H new ATOM 0 HG2 GLU B 38 10.147 7.134 4.885 1.00 0.00 H new ATOM 0 HG3 GLU B 38 10.028 7.637 3.210 1.00 0.00 H new ATOM 1343 N MET B 39 5.839 5.808 2.666 1.00 0.00 N ATOM 1344 CA MET B 39 4.460 5.390 2.484 1.00 0.00 C ATOM 1345 C MET B 39 4.473 3.911 2.099 1.00 0.00 C ATOM 1346 O MET B 39 3.734 3.116 2.673 1.00 0.00 O ATOM 1347 CB MET B 39 3.849 6.273 1.399 1.00 0.00 C ATOM 1348 CG MET B 39 2.331 6.223 1.264 1.00 0.00 C ATOM 1349 SD MET B 39 1.776 7.564 0.167 1.00 0.00 S ATOM 1350 CE MET B 39 0.009 7.698 0.547 1.00 0.00 C ATOM 0 H MET B 39 6.110 6.570 2.044 1.00 0.00 H new ATOM 0 HA MET B 39 3.859 5.499 3.387 1.00 0.00 H new ATOM 0 HB2 MET B 39 4.142 7.305 1.592 1.00 0.00 H new ATOM 0 HB3 MET B 39 4.287 5.992 0.442 1.00 0.00 H new ATOM 0 HG2 MET B 39 2.022 5.258 0.862 1.00 0.00 H new ATOM 0 HG3 MET B 39 1.864 6.324 2.244 1.00 0.00 H new ATOM 0 HE1 MET B 39 -0.390 8.611 0.105 1.00 0.00 H new ATOM 0 HE2 MET B 39 -0.518 6.836 0.137 1.00 0.00 H new ATOM 0 HE3 MET B 39 -0.130 7.727 1.628 1.00 0.00 H new ATOM 1360 N ALA B 40 5.358 3.519 1.174 1.00 0.00 N ATOM 1361 CA ALA B 40 5.483 2.140 0.743 1.00 0.00 C ATOM 1362 C ALA B 40 5.884 1.257 1.936 1.00 0.00 C ATOM 1363 O ALA B 40 5.315 0.182 2.117 1.00 0.00 O ATOM 1364 CB ALA B 40 6.511 2.040 -0.391 1.00 0.00 C ATOM 0 H ALA B 40 6.004 4.157 0.709 1.00 0.00 H new ATOM 0 HA ALA B 40 4.524 1.787 0.364 1.00 0.00 H new ATOM 0 HB1 ALA B 40 6.600 1.002 -0.710 1.00 0.00 H new ATOM 0 HB2 ALA B 40 6.185 2.652 -1.232 1.00 0.00 H new ATOM 0 HB3 ALA B 40 7.479 2.395 -0.037 1.00 0.00 H new ATOM 1370 N LYS B 41 6.838 1.698 2.768 1.00 0.00 N ATOM 1371 CA LYS B 41 7.281 0.947 3.942 1.00 0.00 C ATOM 1372 C LYS B 41 6.105 0.684 4.874 1.00 0.00 C ATOM 1373 O LYS B 41 6.088 -0.370 5.499 1.00 0.00 O ATOM 1374 CB LYS B 41 8.394 1.683 4.708 1.00 0.00 C ATOM 1375 CG LYS B 41 9.765 1.518 4.052 1.00 0.00 C ATOM 1376 CD LYS B 41 10.809 2.452 4.677 1.00 0.00 C ATOM 1377 CE LYS B 41 12.153 2.201 3.992 1.00 0.00 C ATOM 1378 NZ LYS B 41 13.242 3.027 4.548 1.00 0.00 N ATOM 0 H LYS B 41 7.322 2.587 2.642 1.00 0.00 H new ATOM 0 HA LYS B 41 7.687 -0.000 3.587 1.00 0.00 H new ATOM 0 HB2 LYS B 41 8.149 2.743 4.768 1.00 0.00 H new ATOM 0 HB3 LYS B 41 8.437 1.307 5.730 1.00 0.00 H new ATOM 0 HG2 LYS B 41 10.095 0.484 4.153 1.00 0.00 H new ATOM 0 HG3 LYS B 41 9.685 1.724 2.985 1.00 0.00 H new ATOM 0 HD2 LYS B 41 10.509 3.493 4.554 1.00 0.00 H new ATOM 0 HD3 LYS B 41 10.889 2.268 5.748 1.00 0.00 H new ATOM 0 HE2 LYS B 41 12.415 1.148 4.092 1.00 0.00 H new ATOM 0 HE3 LYS B 41 12.056 2.406 2.926 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 14.128 2.816 4.047 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 13.009 4.034 4.430 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 13.357 2.815 5.560 1.00 0.00 H new ATOM 1392 N ASN B 42 5.155 1.615 4.988 1.00 0.00 N ATOM 1393 CA ASN B 42 3.986 1.440 5.847 1.00 0.00 C ATOM 1394 C ASN B 42 3.155 0.265 5.335 1.00 0.00 C ATOM 1395 O ASN B 42 2.688 -0.546 6.130 1.00 0.00 O ATOM 1396 CB ASN B 42 3.154 2.729 5.922 1.00 0.00 C ATOM 1397 CG ASN B 42 3.880 3.851 6.645 1.00 0.00 C ATOM 1398 OD1 ASN B 42 4.589 3.623 7.628 1.00 0.00 O ATOM 1399 ND2 ASN B 42 3.741 5.087 6.196 1.00 0.00 N ATOM 0 H ASN B 42 5.175 2.505 4.490 1.00 0.00 H new ATOM 0 HA ASN B 42 4.318 1.220 6.862 1.00 0.00 H new ATOM 0 HB2 ASN B 42 2.903 3.055 4.912 1.00 0.00 H new ATOM 0 HB3 ASN B 42 2.214 2.521 6.433 1.00 0.00 H new ATOM 0 HD21 ASN B 42 4.221 5.856 6.663 1.00 0.00 H new ATOM 0 HD22 ASN B 42 3.154 5.271 5.383 1.00 0.00 H new ATOM 1406 N ILE B 43 2.983 0.146 4.014 1.00 0.00 N ATOM 1407 CA ILE B 43 2.232 -0.950 3.393 1.00 0.00 C ATOM 1408 C ILE B 43 2.974 -2.251 3.748 1.00 0.00 C ATOM 1409 O ILE B 43 2.364 -3.228 4.187 1.00 0.00 O ATOM 1410 CB ILE B 43 2.073 -0.732 1.863 1.00 0.00 C ATOM 1411 CG1 ILE B 43 1.489 0.668 1.557 1.00 0.00 C ATOM 1412 CG2 ILE B 43 1.170 -1.826 1.264 1.00 0.00 C ATOM 1413 CD1 ILE B 43 1.460 1.065 0.081 1.00 0.00 C ATOM 0 H ILE B 43 3.364 0.812 3.342 1.00 0.00 H new ATOM 0 HA ILE B 43 1.211 -0.999 3.772 1.00 0.00 H new ATOM 0 HB ILE B 43 3.061 -0.794 1.407 1.00 0.00 H new ATOM 0 HG12 ILE B 43 0.472 0.710 1.946 1.00 0.00 H new ATOM 0 HG13 ILE B 43 2.070 1.411 2.103 1.00 0.00 H new ATOM 0 HG21 ILE B 43 1.065 -1.664 0.191 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.617 -2.804 1.441 1.00 0.00 H new ATOM 0 HG23 ILE B 43 0.188 -1.785 1.735 1.00 0.00 H new ATOM 0 HD11 ILE B 43 1.032 2.063 -0.019 1.00 0.00 H new ATOM 0 HD12 ILE B 43 2.475 1.064 -0.316 1.00 0.00 H new ATOM 0 HD13 ILE B 43 0.852 0.352 -0.476 1.00 0.00 H new ATOM 1425 N LEU B 44 4.307 -2.242 3.629 1.00 0.00 N ATOM 1426 CA LEU B 44 5.229 -3.344 3.928 1.00 0.00 C ATOM 1427 C LEU B 44 5.444 -3.512 5.450 1.00 0.00 C ATOM 1428 O LEU B 44 6.505 -3.954 5.902 1.00 0.00 O ATOM 1429 CB LEU B 44 6.575 -3.102 3.213 1.00 0.00 C ATOM 1430 CG LEU B 44 6.502 -2.922 1.684 1.00 0.00 C ATOM 1431 CD1 LEU B 44 7.880 -2.518 1.153 1.00 0.00 C ATOM 1432 CD2 LEU B 44 6.011 -4.180 0.970 1.00 0.00 C ATOM 0 H LEU B 44 4.802 -1.413 3.301 1.00 0.00 H new ATOM 0 HA LEU B 44 4.785 -4.269 3.561 1.00 0.00 H new ATOM 0 HB2 LEU B 44 7.038 -2.213 3.642 1.00 0.00 H new ATOM 0 HB3 LEU B 44 7.235 -3.942 3.429 1.00 0.00 H new ATOM 0 HG LEU B 44 5.775 -2.136 1.478 1.00 0.00 H new ATOM 0 HD11 LEU B 44 7.830 -2.390 0.072 1.00 0.00 H new ATOM 0 HD12 LEU B 44 8.187 -1.580 1.615 1.00 0.00 H new ATOM 0 HD13 LEU B 44 8.605 -3.296 1.393 1.00 0.00 H new ATOM 0 HD21 LEU B 44 5.978 -3.999 -0.104 1.00 0.00 H new ATOM 0 HD22 LEU B 44 6.691 -5.006 1.178 1.00 0.00 H new ATOM 0 HD23 LEU B 44 5.013 -4.434 1.326 1.00 0.00 H new ATOM 1444 N ARG B 45 4.484 -3.090 6.270 1.00 0.00 N ATOM 1445 CA ARG B 45 4.508 -3.168 7.731 1.00 0.00 C ATOM 1446 C ARG B 45 3.113 -3.448 8.288 1.00 0.00 C ATOM 1447 O ARG B 45 2.943 -3.545 9.498 1.00 0.00 O ATOM 1448 CB ARG B 45 5.108 -1.854 8.247 1.00 0.00 C ATOM 1449 CG ARG B 45 5.495 -1.834 9.730 1.00 0.00 C ATOM 1450 CD ARG B 45 6.521 -0.714 9.938 1.00 0.00 C ATOM 1451 NE ARG B 45 6.793 -0.410 11.351 1.00 0.00 N ATOM 1452 CZ ARG B 45 7.885 -0.722 12.060 1.00 0.00 C ATOM 1453 NH1 ARG B 45 8.725 -1.667 11.645 1.00 0.00 N ATOM 1454 NH2 ARG B 45 8.139 -0.053 13.181 1.00 0.00 N ATOM 0 H ARG B 45 3.627 -2.664 5.918 1.00 0.00 H new ATOM 0 HA ARG B 45 5.124 -4.000 8.072 1.00 0.00 H new ATOM 0 HB2 ARG B 45 5.995 -1.625 7.656 1.00 0.00 H new ATOM 0 HB3 ARG B 45 4.390 -1.054 8.067 1.00 0.00 H new ATOM 0 HG2 ARG B 45 4.615 -1.665 10.351 1.00 0.00 H new ATOM 0 HG3 ARG B 45 5.915 -2.795 10.027 1.00 0.00 H new ATOM 0 HD2 ARG B 45 7.455 -0.995 9.451 1.00 0.00 H new ATOM 0 HD3 ARG B 45 6.163 0.190 9.444 1.00 0.00 H new ATOM 0 HE ARG B 45 6.063 0.099 11.850 1.00 0.00 H new ATOM 0 HH11 ARG B 45 8.541 -2.166 10.775 1.00 0.00 H new ATOM 0 HH12 ARG B 45 9.552 -1.892 12.197 1.00 0.00 H new ATOM 0 HH21 ARG B 45 7.506 0.685 13.489 1.00 0.00 H new ATOM 0 HH22 ARG B 45 8.967 -0.278 13.733 1.00 0.00 H new ATOM 1468 N GLU B 46 2.121 -3.582 7.412 1.00 0.00 N ATOM 1469 CA GLU B 46 0.731 -3.843 7.746 1.00 0.00 C ATOM 1470 C GLU B 46 0.256 -4.979 6.838 1.00 0.00 C ATOM 1471 O GLU B 46 -0.141 -6.039 7.329 1.00 0.00 O ATOM 1472 CB GLU B 46 -0.100 -2.552 7.599 1.00 0.00 C ATOM 1473 CG GLU B 46 0.234 -1.490 8.668 1.00 0.00 C ATOM 1474 CD GLU B 46 -0.313 -1.826 10.056 1.00 0.00 C ATOM 1475 OE1 GLU B 46 -1.536 -1.660 10.274 1.00 0.00 O ATOM 1476 OE2 GLU B 46 0.491 -2.182 10.955 1.00 0.00 O ATOM 0 H GLU B 46 2.275 -3.508 6.406 1.00 0.00 H new ATOM 0 HA GLU B 46 0.610 -4.153 8.784 1.00 0.00 H new ATOM 0 HB2 GLU B 46 0.071 -2.128 6.609 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -1.160 -2.800 7.661 1.00 0.00 H new ATOM 0 HG2 GLU B 46 1.316 -1.377 8.731 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -0.169 -0.528 8.351 1.00 0.00 H new ATOM 1483 N PHE B 47 0.302 -4.780 5.517 1.00 0.00 N ATOM 1484 CA PHE B 47 -0.111 -5.772 4.534 1.00 0.00 C ATOM 1485 C PHE B 47 1.004 -6.793 4.371 1.00 0.00 C ATOM 1486 O PHE B 47 0.862 -7.939 4.813 1.00 0.00 O ATOM 1487 CB PHE B 47 -0.525 -5.104 3.214 1.00 0.00 C ATOM 1488 CG PHE B 47 -1.821 -4.348 3.396 1.00 0.00 C ATOM 1489 CD1 PHE B 47 -1.800 -3.018 3.851 1.00 0.00 C ATOM 1490 CD2 PHE B 47 -3.049 -5.017 3.238 1.00 0.00 C ATOM 1491 CE1 PHE B 47 -3.000 -2.383 4.201 1.00 0.00 C ATOM 1492 CE2 PHE B 47 -4.248 -4.381 3.598 1.00 0.00 C ATOM 1493 CZ PHE B 47 -4.216 -3.074 4.108 1.00 0.00 C ATOM 0 H PHE B 47 0.633 -3.910 5.100 1.00 0.00 H new ATOM 0 HA PHE B 47 -0.999 -6.300 4.880 1.00 0.00 H new ATOM 0 HB2 PHE B 47 0.258 -4.423 2.881 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -0.642 -5.859 2.437 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -0.863 -2.487 3.931 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -3.069 -6.021 2.839 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -2.987 -1.359 4.543 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -5.191 -4.895 3.483 1.00 0.00 H new ATOM 0 HZ PHE B 47 -5.131 -2.599 4.430 1.00 0.00 H new ATOM 1503 N SER B 48 2.095 -6.409 3.705 1.00 0.00 N ATOM 1504 CA SER B 48 3.210 -7.323 3.529 1.00 0.00 C ATOM 1505 C SER B 48 3.963 -7.414 4.862 1.00 0.00 C ATOM 1506 O SER B 48 3.901 -6.501 5.697 1.00 0.00 O ATOM 1507 CB SER B 48 4.092 -6.915 2.342 1.00 0.00 C ATOM 1508 OG SER B 48 4.472 -8.095 1.662 1.00 0.00 O ATOM 0 H SER B 48 2.224 -5.487 3.288 1.00 0.00 H new ATOM 0 HA SER B 48 2.854 -8.320 3.271 1.00 0.00 H new ATOM 0 HB2 SER B 48 3.549 -6.247 1.674 1.00 0.00 H new ATOM 0 HB3 SER B 48 4.972 -6.373 2.688 1.00 0.00 H new ATOM 0 HG SER B 48 4.484 -7.927 0.697 1.00 0.00 H new