USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=22 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= -0.0179 K(o=-2.8,f=-3.3) USER MOD Set 1.2: A 39 MET CE :methyl 173:sc= -1.17 (180deg=-1.32) USER MOD Set 1.3: B 34 HIS : no HD1:sc= -0.0416 X(o=-2.8,f=-3.1) USER MOD Set 1.4: B 39 MET CE :methyl 178:sc= -1.54 (180deg=-1.56) USER MOD Set 2.1: B 23 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: B 27 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.17) USER MOD Set 3.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 27 GLN : amide:sc= -0.0496 X(o=-0.05,f=-0.071) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0163 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 164:sc=-0.00107 (180deg=-0.306) USER MOD Single : A 18 SER OG : rot 180:sc=0.000865 USER MOD Single : A 19 GLN : amide:sc= 0.0303 K(o=0.03,f=-0.74) USER MOD Single : A 21 TYR OH : rot -33:sc= 1.16 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -149:sc= 0.582 (180deg=-0.00679) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= -0.908 K(o=-0.91,f=-8.3!) USER MOD Single : A 41 LYS NZ :NH3+ -148:sc= 1.22 (180deg=0.481) USER MOD Single : A 42 ASN : amide:sc= 0.19 X(o=0.19,f=0) USER MOD Single : A 48 SER OG : rot -90:sc= 0.529 USER MOD Single : B 10 SER OG : rot 180:sc= 0.0173 USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 17 MET CE :methyl -160:sc= 0 (180deg=-0.555) USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD Single : B 19 GLN : amide:sc= 0.594 K(o=0.59,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 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 28 LYS NZ :NH3+ 152:sc= 0.402 (180deg=0.126) USER MOD Single : B 35 ASN :FLIP amide:sc= 0 F(o=-0.98,f=0) USER MOD Single : B 36 ASN : amide:sc= -0.501 K(o=-0.5,f=-8.6!) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : B 48 SER OG : rot -113:sc= 0.151 USER MOD ----------------------------------------------------------------- ATOM 83 N LEU A 9 -15.681 9.149 2.477 1.00 0.00 N ATOM 84 CA LEU A 9 -14.876 7.949 2.386 1.00 0.00 C ATOM 85 C LEU A 9 -15.529 6.719 3.005 1.00 0.00 C ATOM 86 O LEU A 9 -15.285 5.612 2.529 1.00 0.00 O ATOM 87 CB LEU A 9 -13.498 8.245 3.002 1.00 0.00 C ATOM 88 CG LEU A 9 -12.398 8.162 1.934 1.00 0.00 C ATOM 89 CD1 LEU A 9 -12.477 9.353 0.967 1.00 0.00 C ATOM 90 CD2 LEU A 9 -11.015 8.132 2.581 1.00 0.00 C ATOM 0 HA LEU A 9 -14.769 7.690 1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -13.501 9.238 3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.291 7.533 3.801 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.555 7.239 1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.687 9.269 0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -13.447 9.354 0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.354 10.282 1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.252 8.073 1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.868 9.039 3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.937 7.262 3.233 1.00 0.00 H new ATOM 102 N SER A 10 -16.359 6.889 4.031 1.00 0.00 N ATOM 103 CA SER A 10 -17.060 5.810 4.713 1.00 0.00 C ATOM 104 C SER A 10 -17.870 4.969 3.725 1.00 0.00 C ATOM 105 O SER A 10 -17.822 3.742 3.806 1.00 0.00 O ATOM 106 CB SER A 10 -17.921 6.438 5.815 1.00 0.00 C ATOM 107 OG SER A 10 -17.120 7.344 6.562 1.00 0.00 O ATOM 0 H SER A 10 -16.567 7.809 4.420 1.00 0.00 H new ATOM 0 HA SER A 10 -16.355 5.116 5.170 1.00 0.00 H new ATOM 0 HB2 SER A 10 -18.772 6.959 5.378 1.00 0.00 H new ATOM 0 HB3 SER A 10 -18.323 5.663 6.468 1.00 0.00 H new ATOM 0 HG SER A 10 -17.662 7.753 7.269 1.00 0.00 H new ATOM 113 N SER A 11 -18.526 5.605 2.750 1.00 0.00 N ATOM 114 CA SER A 11 -19.323 4.921 1.743 1.00 0.00 C ATOM 115 C SER A 11 -18.463 4.085 0.791 1.00 0.00 C ATOM 116 O SER A 11 -18.966 3.146 0.175 1.00 0.00 O ATOM 117 CB SER A 11 -20.108 5.965 0.943 1.00 0.00 C ATOM 118 OG SER A 11 -20.734 6.895 1.810 1.00 0.00 O ATOM 0 H SER A 11 -18.515 6.619 2.642 1.00 0.00 H new ATOM 0 HA SER A 11 -19.999 4.235 2.255 1.00 0.00 H new ATOM 0 HB2 SER A 11 -19.437 6.489 0.263 1.00 0.00 H new ATOM 0 HB3 SER A 11 -20.860 5.470 0.329 1.00 0.00 H new ATOM 0 HG SER A 11 -21.229 7.554 1.280 1.00 0.00 H new ATOM 124 N GLU A 12 -17.180 4.423 0.630 1.00 0.00 N ATOM 125 CA GLU A 12 -16.280 3.693 -0.253 1.00 0.00 C ATOM 126 C GLU A 12 -15.759 2.432 0.429 1.00 0.00 C ATOM 127 O GLU A 12 -15.469 1.462 -0.265 1.00 0.00 O ATOM 128 CB GLU A 12 -15.098 4.576 -0.690 1.00 0.00 C ATOM 129 CG GLU A 12 -15.529 5.781 -1.535 1.00 0.00 C ATOM 130 CD GLU A 12 -16.264 5.364 -2.810 1.00 0.00 C ATOM 131 OE1 GLU A 12 -15.810 4.416 -3.502 1.00 0.00 O ATOM 132 OE2 GLU A 12 -17.300 5.994 -3.109 1.00 0.00 O ATOM 0 H GLU A 12 -16.742 5.209 1.109 1.00 0.00 H new ATOM 0 HA GLU A 12 -16.847 3.407 -1.139 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.570 4.931 0.195 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.393 3.972 -1.261 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.176 6.426 -0.940 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.650 6.368 -1.801 1.00 0.00 H new ATOM 139 N ILE A 13 -15.649 2.421 1.765 1.00 0.00 N ATOM 140 CA ILE A 13 -15.165 1.264 2.521 1.00 0.00 C ATOM 141 C ILE A 13 -16.052 0.066 2.187 1.00 0.00 C ATOM 142 O ILE A 13 -15.569 -1.013 1.853 1.00 0.00 O ATOM 143 CB ILE A 13 -15.168 1.550 4.046 1.00 0.00 C ATOM 144 CG1 ILE A 13 -14.238 2.732 4.379 1.00 0.00 C ATOM 145 CG2 ILE A 13 -14.777 0.312 4.868 1.00 0.00 C ATOM 146 CD1 ILE A 13 -14.140 3.111 5.860 1.00 0.00 C ATOM 0 H ILE A 13 -15.895 3.219 2.351 1.00 0.00 H new ATOM 0 HA ILE A 13 -14.134 1.049 2.241 1.00 0.00 H new ATOM 0 HB ILE A 13 -16.189 1.814 4.321 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.237 2.494 4.018 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.579 3.605 3.822 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -14.793 0.560 5.929 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -15.486 -0.493 4.673 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -13.775 -0.010 4.586 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.459 3.954 5.976 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -15.127 3.388 6.231 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -13.764 2.261 6.429 1.00 0.00 H new ATOM 158 N GLU A 14 -17.362 0.277 2.227 1.00 0.00 N ATOM 159 CA GLU A 14 -18.339 -0.762 1.945 1.00 0.00 C ATOM 160 C GLU A 14 -18.217 -1.291 0.513 1.00 0.00 C ATOM 161 O GLU A 14 -18.681 -2.394 0.220 1.00 0.00 O ATOM 162 CB GLU A 14 -19.738 -0.201 2.204 1.00 0.00 C ATOM 163 CG GLU A 14 -19.943 0.248 3.655 1.00 0.00 C ATOM 164 CD GLU A 14 -19.703 -0.887 4.650 1.00 0.00 C ATOM 165 OE1 GLU A 14 -20.435 -1.900 4.575 1.00 0.00 O ATOM 166 OE2 GLU A 14 -18.784 -0.772 5.494 1.00 0.00 O ATOM 0 H GLU A 14 -17.777 1.180 2.458 1.00 0.00 H new ATOM 0 HA GLU A 14 -18.151 -1.610 2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.913 0.645 1.539 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -20.480 -0.960 1.956 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -19.266 1.073 3.877 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -20.958 0.627 3.776 1.00 0.00 H new ATOM 173 N ARG A 15 -17.639 -0.522 -0.416 1.00 0.00 N ATOM 174 CA ARG A 15 -17.472 -0.983 -1.792 1.00 0.00 C ATOM 175 C ARG A 15 -16.267 -1.910 -1.870 1.00 0.00 C ATOM 176 O ARG A 15 -16.272 -2.846 -2.671 1.00 0.00 O ATOM 177 CB ARG A 15 -17.411 0.191 -2.772 1.00 0.00 C ATOM 178 CG ARG A 15 -18.744 0.958 -2.728 1.00 0.00 C ATOM 179 CD ARG A 15 -18.972 1.814 -3.969 1.00 0.00 C ATOM 180 NE ARG A 15 -19.266 0.993 -5.154 1.00 0.00 N ATOM 181 CZ ARG A 15 -19.610 1.494 -6.344 1.00 0.00 C ATOM 182 NH1 ARG A 15 -19.636 2.805 -6.555 1.00 0.00 N ATOM 183 NH2 ARG A 15 -19.920 0.684 -7.349 1.00 0.00 N ATOM 0 H ARG A 15 -17.282 0.417 -0.238 1.00 0.00 H new ATOM 0 HA ARG A 15 -18.345 -1.560 -2.097 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -16.587 0.855 -2.511 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -17.220 -0.172 -3.782 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -19.564 0.247 -2.626 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -18.763 1.595 -1.844 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -19.799 2.501 -3.789 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -18.087 2.422 -4.159 1.00 0.00 H new ATOM 0 HE ARG A 15 -19.203 -0.021 -5.061 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -19.391 3.448 -5.802 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -19.901 3.169 -7.470 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -19.896 -0.327 -7.215 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -20.182 1.073 -8.255 1.00 0.00 H new ATOM 197 N LEU A 16 -15.236 -1.677 -1.050 1.00 0.00 N ATOM 198 CA LEU A 16 -14.071 -2.553 -1.026 1.00 0.00 C ATOM 199 C LEU A 16 -14.552 -3.898 -0.477 1.00 0.00 C ATOM 200 O LEU A 16 -14.160 -4.945 -0.984 1.00 0.00 O ATOM 201 CB LEU A 16 -12.954 -2.025 -0.110 1.00 0.00 C ATOM 202 CG LEU A 16 -11.957 -1.004 -0.671 1.00 0.00 C ATOM 203 CD1 LEU A 16 -11.184 -1.555 -1.874 1.00 0.00 C ATOM 204 CD2 LEU A 16 -12.606 0.345 -0.965 1.00 0.00 C ATOM 0 H LEU A 16 -15.189 -0.893 -0.400 1.00 0.00 H new ATOM 0 HA LEU A 16 -13.656 -2.623 -2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -13.428 -1.577 0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -12.383 -2.884 0.242 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.224 -0.823 0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.490 -0.798 -2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.628 -2.443 -1.573 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.884 -1.817 -2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.857 1.031 -1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -13.401 0.214 -1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -13.025 0.755 -0.046 1.00 0.00 H new ATOM 216 N MET A 17 -15.443 -3.883 0.520 1.00 0.00 N ATOM 217 CA MET A 17 -15.986 -5.096 1.131 1.00 0.00 C ATOM 218 C MET A 17 -16.597 -6.047 0.105 1.00 0.00 C ATOM 219 O MET A 17 -16.470 -7.266 0.262 1.00 0.00 O ATOM 220 CB MET A 17 -16.980 -4.757 2.243 1.00 0.00 C ATOM 221 CG MET A 17 -16.203 -4.128 3.392 1.00 0.00 C ATOM 222 SD MET A 17 -17.181 -3.729 4.844 1.00 0.00 S ATOM 223 CE MET A 17 -15.794 -3.300 5.917 1.00 0.00 C ATOM 0 H MET A 17 -15.809 -3.022 0.927 1.00 0.00 H new ATOM 0 HA MET A 17 -15.146 -5.626 1.580 1.00 0.00 H new ATOM 0 HB2 MET A 17 -17.742 -4.069 1.876 1.00 0.00 H new ATOM 0 HB3 MET A 17 -17.497 -5.656 2.579 1.00 0.00 H new ATOM 0 HG2 MET A 17 -15.405 -4.809 3.687 1.00 0.00 H new ATOM 0 HG3 MET A 17 -15.727 -3.216 3.032 1.00 0.00 H new ATOM 0 HE1 MET A 17 -16.161 -2.750 6.784 1.00 0.00 H new ATOM 0 HE2 MET A 17 -15.296 -4.211 6.249 1.00 0.00 H new ATOM 0 HE3 MET A 17 -15.087 -2.680 5.367 1.00 0.00 H new ATOM 233 N SER A 18 -17.178 -5.519 -0.976 1.00 0.00 N ATOM 234 CA SER A 18 -17.769 -6.319 -2.041 1.00 0.00 C ATOM 235 C SER A 18 -16.709 -7.223 -2.708 1.00 0.00 C ATOM 236 O SER A 18 -17.056 -8.240 -3.301 1.00 0.00 O ATOM 237 CB SER A 18 -18.411 -5.398 -3.087 1.00 0.00 C ATOM 238 OG SER A 18 -19.203 -4.373 -2.502 1.00 0.00 O ATOM 0 H SER A 18 -17.250 -4.514 -1.134 1.00 0.00 H new ATOM 0 HA SER A 18 -18.535 -6.961 -1.606 1.00 0.00 H new ATOM 0 HB2 SER A 18 -17.628 -4.944 -3.695 1.00 0.00 H new ATOM 0 HB3 SER A 18 -19.031 -5.993 -3.757 1.00 0.00 H new ATOM 0 HG SER A 18 -19.588 -3.813 -3.209 1.00 0.00 H new ATOM 244 N GLN A 19 -15.417 -6.879 -2.633 1.00 0.00 N ATOM 245 CA GLN A 19 -14.292 -7.628 -3.199 1.00 0.00 C ATOM 246 C GLN A 19 -13.648 -8.568 -2.161 1.00 0.00 C ATOM 247 O GLN A 19 -12.609 -9.165 -2.440 1.00 0.00 O ATOM 248 CB GLN A 19 -13.251 -6.649 -3.766 1.00 0.00 C ATOM 249 CG GLN A 19 -13.759 -5.797 -4.936 1.00 0.00 C ATOM 250 CD GLN A 19 -12.676 -4.817 -5.388 1.00 0.00 C ATOM 251 OE1 GLN A 19 -11.734 -5.177 -6.095 1.00 0.00 O ATOM 252 NE2 GLN A 19 -12.768 -3.564 -4.975 1.00 0.00 N ATOM 0 H GLN A 19 -15.115 -6.031 -2.153 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.673 -8.255 -4.005 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.919 -5.987 -2.967 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.379 -7.214 -4.095 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.045 -6.442 -5.767 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.652 -5.249 -4.635 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.552 -3.276 -4.390 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.055 -2.885 -5.242 1.00 0.00 H new ATOM 261 N GLY A 20 -14.218 -8.676 -0.957 1.00 0.00 N ATOM 262 CA GLY A 20 -13.739 -9.543 0.115 1.00 0.00 C ATOM 263 C GLY A 20 -12.800 -8.882 1.119 1.00 0.00 C ATOM 264 O GLY A 20 -12.501 -9.493 2.142 1.00 0.00 O ATOM 0 H GLY A 20 -15.050 -8.146 -0.697 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.601 -9.937 0.654 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.226 -10.395 -0.331 1.00 0.00 H new ATOM 268 N TYR A 21 -12.339 -7.653 0.866 1.00 0.00 N ATOM 269 CA TYR A 21 -11.442 -6.958 1.784 1.00 0.00 C ATOM 270 C TYR A 21 -12.165 -6.710 3.110 1.00 0.00 C ATOM 271 O TYR A 21 -13.312 -6.253 3.098 1.00 0.00 O ATOM 272 CB TYR A 21 -10.989 -5.628 1.168 1.00 0.00 C ATOM 273 CG TYR A 21 -10.328 -5.740 -0.194 1.00 0.00 C ATOM 274 CD1 TYR A 21 -9.094 -6.395 -0.327 1.00 0.00 C ATOM 275 CD2 TYR A 21 -10.923 -5.165 -1.331 1.00 0.00 C ATOM 276 CE1 TYR A 21 -8.474 -6.468 -1.585 1.00 0.00 C ATOM 277 CE2 TYR A 21 -10.307 -5.243 -2.592 1.00 0.00 C ATOM 278 CZ TYR A 21 -9.076 -5.907 -2.730 1.00 0.00 C ATOM 279 OH TYR A 21 -8.460 -5.962 -3.944 1.00 0.00 O ATOM 0 H TYR A 21 -12.576 -7.120 0.029 1.00 0.00 H new ATOM 0 HA TYR A 21 -10.561 -7.573 1.967 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -11.855 -4.972 1.081 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -10.292 -5.147 1.854 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.622 -6.842 0.536 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -11.870 -4.655 -1.234 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.519 -6.963 -1.677 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -10.779 -4.794 -3.453 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.489 -5.914 -3.821 1.00 0.00 H new ATOM 289 N SER A 22 -11.552 -7.072 4.234 1.00 0.00 N ATOM 290 CA SER A 22 -12.123 -6.869 5.560 1.00 0.00 C ATOM 291 C SER A 22 -11.930 -5.402 5.958 1.00 0.00 C ATOM 292 O SER A 22 -11.118 -4.693 5.355 1.00 0.00 O ATOM 293 CB SER A 22 -11.396 -7.748 6.582 1.00 0.00 C ATOM 294 OG SER A 22 -11.272 -9.090 6.157 1.00 0.00 O ATOM 0 H SER A 22 -10.635 -7.519 4.249 1.00 0.00 H new ATOM 0 HA SER A 22 -13.181 -7.129 5.541 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.404 -7.337 6.768 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.935 -7.719 7.529 1.00 0.00 H new ATOM 0 HG SER A 22 -10.800 -9.608 6.842 1.00 0.00 H new ATOM 300 N TYR A 23 -12.634 -4.937 6.995 1.00 0.00 N ATOM 301 CA TYR A 23 -12.510 -3.559 7.467 1.00 0.00 C ATOM 302 C TYR A 23 -11.054 -3.288 7.842 1.00 0.00 C ATOM 303 O TYR A 23 -10.501 -2.257 7.467 1.00 0.00 O ATOM 304 CB TYR A 23 -13.442 -3.318 8.661 1.00 0.00 C ATOM 305 CG TYR A 23 -13.562 -1.872 9.096 1.00 0.00 C ATOM 306 CD1 TYR A 23 -14.153 -0.930 8.236 1.00 0.00 C ATOM 307 CD2 TYR A 23 -13.134 -1.475 10.377 1.00 0.00 C ATOM 308 CE1 TYR A 23 -14.328 0.400 8.654 1.00 0.00 C ATOM 309 CE2 TYR A 23 -13.308 -0.147 10.801 1.00 0.00 C ATOM 310 CZ TYR A 23 -13.905 0.797 9.936 1.00 0.00 C ATOM 311 OH TYR A 23 -14.089 2.088 10.319 1.00 0.00 O ATOM 0 H TYR A 23 -13.299 -5.501 7.525 1.00 0.00 H new ATOM 0 HA TYR A 23 -12.805 -2.871 6.674 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -14.435 -3.690 8.409 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -13.086 -3.908 9.506 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -14.474 -1.230 7.249 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -12.670 -2.194 11.036 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -14.787 1.118 7.991 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -12.986 0.152 11.787 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.748 2.211 11.229 1.00 0.00 H new ATOM 321 N GLN A 24 -10.418 -4.250 8.518 1.00 0.00 N ATOM 322 CA GLN A 24 -9.030 -4.160 8.943 1.00 0.00 C ATOM 323 C GLN A 24 -8.096 -3.796 7.780 1.00 0.00 C ATOM 324 O GLN A 24 -7.274 -2.885 7.923 1.00 0.00 O ATOM 325 CB GLN A 24 -8.594 -5.494 9.571 1.00 0.00 C ATOM 326 CG GLN A 24 -9.304 -5.800 10.898 1.00 0.00 C ATOM 327 CD GLN A 24 -8.534 -6.842 11.702 1.00 0.00 C ATOM 328 OE1 GLN A 24 -8.465 -8.019 11.347 1.00 0.00 O ATOM 329 NE2 GLN A 24 -7.868 -6.418 12.766 1.00 0.00 N ATOM 0 H GLN A 24 -10.867 -5.126 8.787 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.958 -3.362 9.682 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.792 -6.302 8.866 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.517 -5.474 9.739 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.402 -4.885 11.482 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.313 -6.161 10.700 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.932 -5.441 13.052 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.291 -7.069 13.299 1.00 0.00 H new ATOM 338 N ASP A 25 -8.240 -4.485 6.644 1.00 0.00 N ATOM 339 CA ASP A 25 -7.437 -4.300 5.435 1.00 0.00 C ATOM 340 C ASP A 25 -7.651 -2.907 4.862 1.00 0.00 C ATOM 341 O ASP A 25 -6.707 -2.166 4.593 1.00 0.00 O ATOM 342 CB ASP A 25 -7.809 -5.295 4.304 1.00 0.00 C ATOM 343 CG ASP A 25 -8.009 -6.759 4.681 1.00 0.00 C ATOM 344 OD1 ASP A 25 -7.427 -7.230 5.681 1.00 0.00 O ATOM 345 OD2 ASP A 25 -8.797 -7.430 3.979 1.00 0.00 O ATOM 0 H ASP A 25 -8.946 -5.214 6.539 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.405 -4.464 5.745 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.728 -4.941 3.836 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.027 -5.248 3.546 1.00 0.00 H new ATOM 350 N ILE A 26 -8.920 -2.552 4.655 1.00 0.00 N ATOM 351 CA ILE A 26 -9.329 -1.281 4.081 1.00 0.00 C ATOM 352 C ILE A 26 -8.742 -0.126 4.884 1.00 0.00 C ATOM 353 O ILE A 26 -8.132 0.777 4.308 1.00 0.00 O ATOM 354 CB ILE A 26 -10.864 -1.231 3.929 1.00 0.00 C ATOM 355 CG1 ILE A 26 -11.382 -2.405 3.065 1.00 0.00 C ATOM 356 CG2 ILE A 26 -11.273 0.097 3.264 1.00 0.00 C ATOM 357 CD1 ILE A 26 -12.862 -2.720 3.309 1.00 0.00 C ATOM 0 H ILE A 26 -9.706 -3.158 4.889 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.927 -1.178 3.073 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.304 -1.310 4.923 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.236 -2.166 2.012 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.787 -3.294 3.276 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -12.357 0.132 3.157 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.943 0.931 3.883 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.809 0.169 2.280 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.166 -3.552 2.674 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -13.009 -2.989 4.355 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -13.465 -1.843 3.071 1.00 0.00 H new ATOM 369 N GLN A 27 -8.902 -0.173 6.204 1.00 0.00 N ATOM 370 CA GLN A 27 -8.396 0.849 7.095 1.00 0.00 C ATOM 371 C GLN A 27 -6.872 0.924 6.977 1.00 0.00 C ATOM 372 O GLN A 27 -6.357 2.012 6.748 1.00 0.00 O ATOM 373 CB GLN A 27 -8.889 0.572 8.521 1.00 0.00 C ATOM 374 CG GLN A 27 -10.421 0.703 8.646 1.00 0.00 C ATOM 375 CD GLN A 27 -10.894 2.148 8.561 1.00 0.00 C ATOM 376 OE1 GLN A 27 -11.216 2.660 7.492 1.00 0.00 O ATOM 377 NE2 GLN A 27 -10.934 2.840 9.686 1.00 0.00 N ATOM 0 H GLN A 27 -9.391 -0.930 6.682 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.777 1.832 6.817 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.587 -0.432 8.819 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.410 1.267 9.210 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.897 0.122 7.857 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.742 0.275 9.595 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -10.663 2.400 10.565 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.236 3.814 9.675 1.00 0.00 H new ATOM 386 N LYS A 28 -6.133 -0.191 7.067 1.00 0.00 N ATOM 387 CA LYS A 28 -4.666 -0.173 6.950 1.00 0.00 C ATOM 388 C LYS A 28 -4.209 0.526 5.668 1.00 0.00 C ATOM 389 O LYS A 28 -3.238 1.278 5.682 1.00 0.00 O ATOM 390 CB LYS A 28 -4.117 -1.607 6.937 1.00 0.00 C ATOM 391 CG LYS A 28 -4.063 -2.264 8.321 1.00 0.00 C ATOM 392 CD LYS A 28 -3.953 -3.793 8.203 1.00 0.00 C ATOM 393 CE LYS A 28 -2.675 -4.197 7.461 1.00 0.00 C ATOM 394 NZ LYS A 28 -2.621 -5.638 7.161 1.00 0.00 N ATOM 0 H LYS A 28 -6.527 -1.119 7.221 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.284 0.376 7.811 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.737 -2.217 6.280 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.114 -1.598 6.511 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.210 -1.877 8.878 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.958 -2.003 8.886 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.956 -4.239 9.198 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.823 -4.184 7.675 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.607 -3.634 6.530 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.809 -3.923 8.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.631 -5.956 7.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.154 -6.163 7.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.040 -5.814 6.225 1.00 0.00 H new ATOM 408 N ALA A 29 -4.876 0.242 4.553 1.00 0.00 N ATOM 409 CA ALA A 29 -4.544 0.824 3.259 1.00 0.00 C ATOM 410 C ALA A 29 -4.783 2.329 3.295 1.00 0.00 C ATOM 411 O ALA A 29 -3.935 3.093 2.842 1.00 0.00 O ATOM 412 CB ALA A 29 -5.356 0.154 2.148 1.00 0.00 C ATOM 0 H ALA A 29 -5.666 -0.402 4.523 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.489 0.651 3.045 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.096 0.600 1.188 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.131 -0.912 2.125 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.420 0.296 2.338 1.00 0.00 H new ATOM 418 N LEU A 30 -5.929 2.757 3.829 1.00 0.00 N ATOM 419 CA LEU A 30 -6.294 4.164 3.942 1.00 0.00 C ATOM 420 C LEU A 30 -5.275 4.913 4.782 1.00 0.00 C ATOM 421 O LEU A 30 -4.803 5.962 4.355 1.00 0.00 O ATOM 422 CB LEU A 30 -7.705 4.299 4.529 1.00 0.00 C ATOM 423 CG LEU A 30 -8.767 3.975 3.468 1.00 0.00 C ATOM 424 CD1 LEU A 30 -10.106 3.642 4.121 1.00 0.00 C ATOM 425 CD2 LEU A 30 -8.937 5.167 2.516 1.00 0.00 C ATOM 0 H LEU A 30 -6.638 2.124 4.199 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.296 4.609 2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.816 3.627 5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.854 5.312 4.902 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.432 3.105 2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.841 3.416 3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.988 2.777 4.773 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.447 4.495 4.708 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.692 4.929 1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.252 6.043 3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.988 5.376 2.022 1.00 0.00 H new ATOM 437 N VAL A 31 -4.916 4.371 5.941 1.00 0.00 N ATOM 438 CA VAL A 31 -3.951 4.938 6.870 1.00 0.00 C ATOM 439 C VAL A 31 -2.645 5.238 6.128 1.00 0.00 C ATOM 440 O VAL A 31 -2.184 6.382 6.089 1.00 0.00 O ATOM 441 CB VAL A 31 -3.757 3.928 8.025 1.00 0.00 C ATOM 442 CG1 VAL A 31 -2.576 4.255 8.947 1.00 0.00 C ATOM 443 CG2 VAL A 31 -5.024 3.808 8.880 1.00 0.00 C ATOM 0 H VAL A 31 -5.307 3.488 6.270 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.301 5.881 7.289 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.539 2.982 7.530 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.507 3.501 9.731 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.653 4.262 8.367 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.728 5.235 9.399 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.855 3.091 9.683 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.268 4.780 9.308 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.852 3.468 8.258 1.00 0.00 H new ATOM 453 N ILE A 32 -2.067 4.219 5.498 1.00 0.00 N ATOM 454 CA ILE A 32 -0.811 4.345 4.776 1.00 0.00 C ATOM 455 C ILE A 32 -0.946 5.275 3.571 1.00 0.00 C ATOM 456 O ILE A 32 0.009 5.971 3.244 1.00 0.00 O ATOM 457 CB ILE A 32 -0.298 2.942 4.413 1.00 0.00 C ATOM 458 CG1 ILE A 32 -0.144 2.056 5.675 1.00 0.00 C ATOM 459 CG2 ILE A 32 1.056 3.041 3.702 1.00 0.00 C ATOM 460 CD1 ILE A 32 -0.128 0.569 5.331 1.00 0.00 C ATOM 0 H ILE A 32 -2.462 3.279 5.476 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.064 4.817 5.414 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.032 2.484 3.750 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.779 2.319 6.192 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.964 2.260 6.364 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.409 2.041 3.450 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.946 3.627 2.790 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.778 3.525 4.360 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.018 -0.015 6.245 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.062 0.299 4.838 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.708 0.359 4.664 1.00 0.00 H new ATOM 472 N ALA A 33 -2.110 5.328 2.919 1.00 0.00 N ATOM 473 CA ALA A 33 -2.336 6.192 1.776 1.00 0.00 C ATOM 474 C ALA A 33 -2.612 7.641 2.209 1.00 0.00 C ATOM 475 O ALA A 33 -2.972 8.460 1.359 1.00 0.00 O ATOM 476 CB ALA A 33 -3.483 5.634 0.935 1.00 0.00 C ATOM 0 H ALA A 33 -2.922 4.767 3.177 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.431 6.213 1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.653 6.283 0.076 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.227 4.633 0.588 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.389 5.588 1.540 1.00 0.00 H new ATOM 482 N HIS A 34 -2.451 7.974 3.497 1.00 0.00 N ATOM 483 CA HIS A 34 -2.704 9.294 4.069 1.00 0.00 C ATOM 484 C HIS A 34 -4.173 9.666 3.806 1.00 0.00 C ATOM 485 O HIS A 34 -4.497 10.796 3.453 1.00 0.00 O ATOM 486 CB HIS A 34 -1.684 10.342 3.572 1.00 0.00 C ATOM 487 CG HIS A 34 -0.228 9.929 3.599 1.00 0.00 C ATOM 488 ND1 HIS A 34 0.736 10.342 2.708 1.00 0.00 N ATOM 489 CD2 HIS A 34 0.382 9.089 4.493 1.00 0.00 C ATOM 490 CE1 HIS A 34 1.900 9.775 3.059 1.00 0.00 C ATOM 491 NE2 HIS A 34 1.741 9.002 4.147 1.00 0.00 N ATOM 0 H HIS A 34 -2.128 7.301 4.192 1.00 0.00 H new ATOM 0 HA HIS A 34 -2.556 9.274 5.149 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.943 10.613 2.549 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.795 11.241 4.178 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.097 8.583 5.318 1.00 0.00 H new ATOM 0 HE1 HIS A 34 2.836 9.920 2.539 1.00 0.00 H new ATOM 0 HE2 HIS A 34 2.462 8.461 4.625 1.00 0.00 H new ATOM 499 N ASN A 35 -5.067 8.682 3.946 1.00 0.00 N ATOM 500 CA ASN A 35 -6.516 8.719 3.754 1.00 0.00 C ATOM 501 C ASN A 35 -6.940 8.876 2.289 1.00 0.00 C ATOM 502 O ASN A 35 -8.117 9.111 2.032 1.00 0.00 O ATOM 503 CB ASN A 35 -7.216 9.694 4.724 1.00 0.00 C ATOM 504 CG ASN A 35 -7.146 9.184 6.155 1.00 0.00 C ATOM 505 OD1 ASN A 35 -6.192 9.460 6.880 1.00 0.00 O ATOM 506 ND2 ASN A 35 -8.114 8.391 6.587 1.00 0.00 N ATOM 0 H ASN A 35 -4.761 7.749 4.224 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.880 7.729 4.027 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.746 10.675 4.661 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.258 9.820 4.430 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.073 8.003 7.529 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.901 8.168 5.978 1.00 0.00 H new ATOM 513 N ASN A 36 -6.030 8.752 1.315 1.00 0.00 N ATOM 514 CA ASN A 36 -6.381 8.866 -0.103 1.00 0.00 C ATOM 515 C ASN A 36 -7.063 7.554 -0.505 1.00 0.00 C ATOM 516 O ASN A 36 -6.393 6.522 -0.597 1.00 0.00 O ATOM 517 CB ASN A 36 -5.129 9.147 -0.947 1.00 0.00 C ATOM 518 CG ASN A 36 -5.396 9.216 -2.447 1.00 0.00 C ATOM 519 OD1 ASN A 36 -6.346 8.660 -2.982 1.00 0.00 O ATOM 520 ND2 ASN A 36 -4.526 9.874 -3.196 1.00 0.00 N ATOM 0 H ASN A 36 -5.041 8.572 1.486 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.059 9.701 -0.276 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.689 10.090 -0.623 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.391 8.368 -0.755 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.651 9.914 -4.208 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.730 10.341 -2.762 1.00 0.00 H new ATOM 527 N ILE A 37 -8.377 7.570 -0.741 1.00 0.00 N ATOM 528 CA ILE A 37 -9.142 6.379 -1.109 1.00 0.00 C ATOM 529 C ILE A 37 -8.699 5.728 -2.422 1.00 0.00 C ATOM 530 O ILE A 37 -8.637 4.503 -2.495 1.00 0.00 O ATOM 531 CB ILE A 37 -10.654 6.704 -1.117 1.00 0.00 C ATOM 532 CG1 ILE A 37 -11.543 5.469 -1.353 1.00 0.00 C ATOM 533 CG2 ILE A 37 -11.063 7.776 -2.147 1.00 0.00 C ATOM 534 CD1 ILE A 37 -11.497 4.415 -0.243 1.00 0.00 C ATOM 0 H ILE A 37 -8.943 8.417 -0.681 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.935 5.630 -0.345 1.00 0.00 H new ATOM 0 HB ILE A 37 -10.820 7.094 -0.113 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -12.574 5.801 -1.476 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -11.245 5.000 -2.291 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -12.138 7.945 -2.088 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -10.537 8.706 -1.933 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -10.804 7.435 -3.149 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.155 3.586 -0.501 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -10.477 4.048 -0.132 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.826 4.861 0.696 1.00 0.00 H new ATOM 546 N GLU A 38 -8.415 6.514 -3.457 1.00 0.00 N ATOM 547 CA GLU A 38 -8.009 6.037 -4.780 1.00 0.00 C ATOM 548 C GLU A 38 -6.697 5.262 -4.666 1.00 0.00 C ATOM 549 O GLU A 38 -6.527 4.164 -5.205 1.00 0.00 O ATOM 550 CB GLU A 38 -7.908 7.233 -5.752 1.00 0.00 C ATOM 551 CG GLU A 38 -9.215 8.050 -5.758 1.00 0.00 C ATOM 552 CD GLU A 38 -9.195 9.270 -6.678 1.00 0.00 C ATOM 553 OE1 GLU A 38 -9.160 9.118 -7.922 1.00 0.00 O ATOM 554 OE2 GLU A 38 -9.315 10.406 -6.158 1.00 0.00 O ATOM 0 H GLU A 38 -8.462 7.531 -3.399 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.755 5.352 -5.183 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.076 7.874 -5.461 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.696 6.872 -6.758 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.035 7.398 -6.058 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.427 8.381 -4.741 1.00 0.00 H new ATOM 561 N MET A 39 -5.772 5.835 -3.907 1.00 0.00 N ATOM 562 CA MET A 39 -4.461 5.286 -3.634 1.00 0.00 C ATOM 563 C MET A 39 -4.621 4.024 -2.786 1.00 0.00 C ATOM 564 O MET A 39 -4.045 2.991 -3.114 1.00 0.00 O ATOM 565 CB MET A 39 -3.690 6.392 -2.929 1.00 0.00 C ATOM 566 CG MET A 39 -2.188 6.221 -2.809 1.00 0.00 C ATOM 567 SD MET A 39 -1.462 7.804 -2.300 1.00 0.00 S ATOM 568 CE MET A 39 0.272 7.577 -2.750 1.00 0.00 C ATOM 0 H MET A 39 -5.927 6.733 -3.448 1.00 0.00 H new ATOM 0 HA MET A 39 -3.917 4.983 -4.529 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.883 7.327 -3.455 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.099 6.502 -1.925 1.00 0.00 H new ATOM 0 HG2 MET A 39 -1.953 5.446 -2.080 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.767 5.901 -3.762 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.810 8.514 -2.609 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.714 6.806 -2.119 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.340 7.273 -3.795 1.00 0.00 H new ATOM 578 N ALA A 40 -5.440 4.072 -1.731 1.00 0.00 N ATOM 579 CA ALA A 40 -5.684 2.935 -0.856 1.00 0.00 C ATOM 580 C ALA A 40 -6.302 1.776 -1.642 1.00 0.00 C ATOM 581 O ALA A 40 -5.937 0.621 -1.423 1.00 0.00 O ATOM 582 CB ALA A 40 -6.591 3.363 0.297 1.00 0.00 C ATOM 0 H ALA A 40 -5.954 4.911 -1.463 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.736 2.588 -0.445 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.773 2.511 0.952 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.108 4.159 0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.539 3.724 -0.101 1.00 0.00 H new ATOM 588 N LYS A 41 -7.255 2.063 -2.541 1.00 0.00 N ATOM 589 CA LYS A 41 -7.900 1.049 -3.376 1.00 0.00 C ATOM 590 C LYS A 41 -6.799 0.364 -4.197 1.00 0.00 C ATOM 591 O LYS A 41 -6.829 -0.855 -4.320 1.00 0.00 O ATOM 592 CB LYS A 41 -9.006 1.674 -4.259 1.00 0.00 C ATOM 593 CG LYS A 41 -10.355 1.887 -3.536 1.00 0.00 C ATOM 594 CD LYS A 41 -11.321 2.781 -4.333 1.00 0.00 C ATOM 595 CE LYS A 41 -12.590 3.192 -3.554 1.00 0.00 C ATOM 596 NZ LYS A 41 -13.823 2.463 -3.916 1.00 0.00 N ATOM 0 H LYS A 41 -7.598 3.009 -2.707 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.408 0.304 -2.763 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.654 2.634 -4.636 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.169 1.032 -5.125 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.824 0.919 -3.359 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.172 2.336 -2.560 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.792 3.681 -4.645 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.619 2.256 -5.241 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.404 3.049 -2.490 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.760 4.258 -3.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.644 3.091 -3.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.763 2.150 -4.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.931 1.634 -3.297 1.00 0.00 H new ATOM 610 N ASN A 42 -5.807 1.112 -4.706 1.00 0.00 N ATOM 611 CA ASN A 42 -4.704 0.534 -5.479 1.00 0.00 C ATOM 612 C ASN A 42 -3.873 -0.413 -4.606 1.00 0.00 C ATOM 613 O ASN A 42 -3.505 -1.482 -5.088 1.00 0.00 O ATOM 614 CB ASN A 42 -3.790 1.598 -6.120 1.00 0.00 C ATOM 615 CG ASN A 42 -4.334 2.157 -7.425 1.00 0.00 C ATOM 616 OD1 ASN A 42 -4.294 1.482 -8.453 1.00 0.00 O ATOM 617 ND2 ASN A 42 -4.853 3.374 -7.435 1.00 0.00 N ATOM 0 H ASN A 42 -5.750 2.124 -4.593 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.162 -0.025 -6.295 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -3.648 2.417 -5.414 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.808 1.160 -6.302 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.226 3.762 -8.301 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -4.880 3.924 -6.576 1.00 0.00 H new ATOM 624 N ILE A 43 -3.581 -0.067 -3.341 1.00 0.00 N ATOM 625 CA ILE A 43 -2.794 -0.932 -2.444 1.00 0.00 C ATOM 626 C ILE A 43 -3.509 -2.282 -2.333 1.00 0.00 C ATOM 627 O ILE A 43 -2.914 -3.345 -2.534 1.00 0.00 O ATOM 628 CB ILE A 43 -2.564 -0.299 -1.040 1.00 0.00 C ATOM 629 CG1 ILE A 43 -1.879 1.081 -1.129 1.00 0.00 C ATOM 630 CG2 ILE A 43 -1.710 -1.237 -0.179 1.00 0.00 C ATOM 631 CD1 ILE A 43 -1.765 1.834 0.200 1.00 0.00 C ATOM 0 H ILE A 43 -3.880 0.810 -2.914 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.799 -1.063 -2.870 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.543 -0.157 -0.583 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.879 0.947 -1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.434 1.700 -1.834 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.553 -0.788 0.802 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.222 -2.192 -0.063 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.747 -1.399 -0.663 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.270 2.791 0.035 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.761 2.006 0.607 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.182 1.241 0.905 1.00 0.00 H new ATOM 643 N LEU A 44 -4.807 -2.229 -2.031 1.00 0.00 N ATOM 644 CA LEU A 44 -5.643 -3.408 -1.877 1.00 0.00 C ATOM 645 C LEU A 44 -5.753 -4.201 -3.177 1.00 0.00 C ATOM 646 O LEU A 44 -5.901 -5.416 -3.123 1.00 0.00 O ATOM 647 CB LEU A 44 -7.041 -2.996 -1.395 1.00 0.00 C ATOM 648 CG LEU A 44 -7.041 -2.357 0.003 1.00 0.00 C ATOM 649 CD1 LEU A 44 -8.386 -1.677 0.252 1.00 0.00 C ATOM 650 CD2 LEU A 44 -6.757 -3.378 1.110 1.00 0.00 C ATOM 0 H LEU A 44 -5.308 -1.353 -1.886 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.173 -4.054 -1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.470 -2.292 -2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.687 -3.874 -1.385 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.238 -1.621 0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.387 -1.224 1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.548 -0.905 -0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.184 -2.417 0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.768 -2.877 2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.522 -4.154 1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.779 -3.830 0.946 1.00 0.00 H new ATOM 662 N ARG A 45 -5.682 -3.549 -4.337 1.00 0.00 N ATOM 663 CA ARG A 45 -5.781 -4.202 -5.636 1.00 0.00 C ATOM 664 C ARG A 45 -4.530 -5.006 -5.979 1.00 0.00 C ATOM 665 O ARG A 45 -4.660 -6.102 -6.521 1.00 0.00 O ATOM 666 CB ARG A 45 -6.003 -3.118 -6.710 1.00 0.00 C ATOM 667 CG ARG A 45 -6.412 -3.637 -8.097 1.00 0.00 C ATOM 668 CD ARG A 45 -7.931 -3.777 -8.258 1.00 0.00 C ATOM 669 NE ARG A 45 -8.520 -4.892 -7.493 1.00 0.00 N ATOM 670 CZ ARG A 45 -8.773 -6.113 -7.981 1.00 0.00 C ATOM 671 NH1 ARG A 45 -8.259 -6.505 -9.142 1.00 0.00 N ATOM 672 NH2 ARG A 45 -9.570 -6.940 -7.317 1.00 0.00 N ATOM 0 H ARG A 45 -5.552 -2.539 -4.399 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.615 -4.902 -5.603 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.773 -2.432 -6.356 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.085 -2.540 -6.814 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.032 -2.958 -8.860 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.943 -4.605 -8.270 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.405 -2.847 -7.946 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.162 -3.914 -9.314 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.753 -4.719 -6.515 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.662 -5.872 -9.675 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.461 -7.438 -9.500 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.990 -6.646 -6.435 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.763 -7.870 -7.688 1.00 0.00 H new ATOM 686 N GLU A 46 -3.341 -4.496 -5.658 1.00 0.00 N ATOM 687 CA GLU A 46 -2.086 -5.160 -6.002 1.00 0.00 C ATOM 688 C GLU A 46 -1.474 -6.062 -4.932 1.00 0.00 C ATOM 689 O GLU A 46 -0.794 -7.023 -5.299 1.00 0.00 O ATOM 690 CB GLU A 46 -1.081 -4.079 -6.425 1.00 0.00 C ATOM 691 CG GLU A 46 -1.524 -3.269 -7.659 1.00 0.00 C ATOM 692 CD GLU A 46 -1.883 -4.176 -8.836 1.00 0.00 C ATOM 693 OE1 GLU A 46 -1.007 -4.951 -9.279 1.00 0.00 O ATOM 694 OE2 GLU A 46 -3.053 -4.171 -9.283 1.00 0.00 O ATOM 0 H GLU A 46 -3.222 -3.616 -5.155 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.325 -5.853 -6.808 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.923 -3.396 -5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.121 -4.551 -6.636 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.385 -2.653 -7.399 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.724 -2.590 -7.954 1.00 0.00 H new ATOM 701 N PHE A 47 -1.651 -5.779 -3.639 1.00 0.00 N ATOM 702 CA PHE A 47 -1.084 -6.626 -2.585 1.00 0.00 C ATOM 703 C PHE A 47 -2.138 -7.595 -2.081 1.00 0.00 C ATOM 704 O PHE A 47 -1.894 -8.800 -2.018 1.00 0.00 O ATOM 705 CB PHE A 47 -0.544 -5.793 -1.419 1.00 0.00 C ATOM 706 CG PHE A 47 0.822 -5.191 -1.674 1.00 0.00 C ATOM 707 CD1 PHE A 47 0.950 -3.980 -2.381 1.00 0.00 C ATOM 708 CD2 PHE A 47 1.974 -5.835 -1.182 1.00 0.00 C ATOM 709 CE1 PHE A 47 2.222 -3.452 -2.651 1.00 0.00 C ATOM 710 CE2 PHE A 47 3.241 -5.293 -1.429 1.00 0.00 C ATOM 711 CZ PHE A 47 3.367 -4.118 -2.184 1.00 0.00 C ATOM 0 H PHE A 47 -2.179 -4.976 -3.298 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.249 -7.180 -3.014 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.249 -4.990 -1.202 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.493 -6.421 -0.530 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.067 -3.456 -2.716 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.880 -6.748 -0.613 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.320 -2.537 -3.216 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.122 -5.780 -1.038 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.348 -3.724 -2.407 1.00 0.00 H new ATOM 721 N SER A 48 -3.264 -7.060 -1.620 1.00 0.00 N ATOM 722 CA SER A 48 -4.375 -7.844 -1.114 1.00 0.00 C ATOM 723 C SER A 48 -5.205 -8.325 -2.320 1.00 0.00 C ATOM 724 O SER A 48 -4.866 -8.062 -3.476 1.00 0.00 O ATOM 725 CB SER A 48 -5.140 -6.963 -0.115 1.00 0.00 C ATOM 726 OG SER A 48 -6.171 -7.654 0.550 1.00 0.00 O ATOM 0 H SER A 48 -3.428 -6.054 -1.589 1.00 0.00 H new ATOM 0 HA SER A 48 -4.072 -8.742 -0.575 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.441 -6.568 0.622 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.564 -6.109 -0.643 1.00 0.00 H new ATOM 0 HG SER A 48 -7.005 -7.565 0.042 1.00 0.00 H new ATOM 865 N LEU B 9 16.028 6.127 -4.640 1.00 0.00 N ATOM 866 CA LEU B 9 15.250 4.945 -4.276 1.00 0.00 C ATOM 867 C LEU B 9 16.128 3.701 -4.375 1.00 0.00 C ATOM 868 O LEU B 9 16.050 2.839 -3.505 1.00 0.00 O ATOM 869 CB LEU B 9 14.016 4.806 -5.184 1.00 0.00 C ATOM 870 CG LEU B 9 12.777 5.586 -4.708 1.00 0.00 C ATOM 871 CD1 LEU B 9 13.048 7.066 -4.442 1.00 0.00 C ATOM 872 CD2 LEU B 9 11.693 5.509 -5.782 1.00 0.00 C ATOM 0 HA LEU B 9 14.903 5.055 -3.249 1.00 0.00 H new ATOM 0 HB2 LEU B 9 14.279 5.145 -6.186 1.00 0.00 H new ATOM 0 HB3 LEU B 9 13.756 3.750 -5.262 1.00 0.00 H new ATOM 0 HG LEU B 9 12.471 5.125 -3.769 1.00 0.00 H new ATOM 0 HD11 LEU B 9 12.130 7.550 -4.110 1.00 0.00 H new ATOM 0 HD12 LEU B 9 13.809 7.163 -3.668 1.00 0.00 H new ATOM 0 HD13 LEU B 9 13.399 7.542 -5.358 1.00 0.00 H new ATOM 0 HD21 LEU B 9 10.813 6.060 -5.451 1.00 0.00 H new ATOM 0 HD22 LEU B 9 12.067 5.946 -6.708 1.00 0.00 H new ATOM 0 HD23 LEU B 9 11.425 4.467 -5.955 1.00 0.00 H new ATOM 884 N SER B 10 17.019 3.644 -5.369 1.00 0.00 N ATOM 885 CA SER B 10 17.933 2.535 -5.612 1.00 0.00 C ATOM 886 C SER B 10 18.824 2.179 -4.420 1.00 0.00 C ATOM 887 O SER B 10 19.395 1.093 -4.420 1.00 0.00 O ATOM 888 CB SER B 10 18.805 2.857 -6.824 1.00 0.00 C ATOM 889 OG SER B 10 18.009 3.361 -7.883 1.00 0.00 O ATOM 0 H SER B 10 17.124 4.398 -6.048 1.00 0.00 H new ATOM 0 HA SER B 10 17.310 1.659 -5.792 1.00 0.00 H new ATOM 0 HB2 SER B 10 19.564 3.590 -6.550 1.00 0.00 H new ATOM 0 HB3 SER B 10 19.331 1.960 -7.151 1.00 0.00 H new ATOM 0 HG SER B 10 18.580 3.565 -8.653 1.00 0.00 H new ATOM 895 N SER B 11 18.984 3.057 -3.426 1.00 0.00 N ATOM 896 CA SER B 11 19.794 2.781 -2.246 1.00 0.00 C ATOM 897 C SER B 11 18.907 2.299 -1.093 1.00 0.00 C ATOM 898 O SER B 11 19.387 1.587 -0.211 1.00 0.00 O ATOM 899 CB SER B 11 20.576 4.039 -1.870 1.00 0.00 C ATOM 900 OG SER B 11 21.478 4.350 -2.918 1.00 0.00 O ATOM 0 H SER B 11 18.552 3.981 -3.421 1.00 0.00 H new ATOM 0 HA SER B 11 20.505 1.984 -2.462 1.00 0.00 H new ATOM 0 HB2 SER B 11 19.893 4.871 -1.702 1.00 0.00 H new ATOM 0 HB3 SER B 11 21.120 3.880 -0.939 1.00 0.00 H new ATOM 0 HG SER B 11 21.983 5.157 -2.686 1.00 0.00 H new ATOM 906 N GLU B 12 17.619 2.656 -1.091 1.00 0.00 N ATOM 907 CA GLU B 12 16.660 2.264 -0.064 1.00 0.00 C ATOM 908 C GLU B 12 16.046 0.900 -0.388 1.00 0.00 C ATOM 909 O GLU B 12 15.734 0.141 0.529 1.00 0.00 O ATOM 910 CB GLU B 12 15.549 3.312 0.062 1.00 0.00 C ATOM 911 CG GLU B 12 16.024 4.717 0.457 1.00 0.00 C ATOM 912 CD GLU B 12 16.723 4.729 1.815 1.00 0.00 C ATOM 913 OE1 GLU B 12 16.046 4.709 2.869 1.00 0.00 O ATOM 914 OE2 GLU B 12 17.974 4.734 1.840 1.00 0.00 O ATOM 0 H GLU B 12 17.209 3.238 -1.821 1.00 0.00 H new ATOM 0 HA GLU B 12 17.193 2.194 0.884 1.00 0.00 H new ATOM 0 HB2 GLU B 12 15.022 3.377 -0.890 1.00 0.00 H new ATOM 0 HB3 GLU B 12 14.827 2.967 0.803 1.00 0.00 H new ATOM 0 HG2 GLU B 12 16.706 5.095 -0.304 1.00 0.00 H new ATOM 0 HG3 GLU B 12 15.170 5.393 0.484 1.00 0.00 H new ATOM 921 N ILE B 13 15.897 0.567 -1.675 1.00 0.00 N ATOM 922 CA ILE B 13 15.348 -0.706 -2.152 1.00 0.00 C ATOM 923 C ILE B 13 16.242 -1.824 -1.587 1.00 0.00 C ATOM 924 O ILE B 13 15.749 -2.847 -1.123 1.00 0.00 O ATOM 925 CB ILE B 13 15.238 -0.653 -3.699 1.00 0.00 C ATOM 926 CG1 ILE B 13 14.123 0.346 -4.096 1.00 0.00 C ATOM 927 CG2 ILE B 13 14.947 -2.000 -4.393 1.00 0.00 C ATOM 928 CD1 ILE B 13 14.180 0.782 -5.561 1.00 0.00 C ATOM 0 H ILE B 13 16.163 1.194 -2.434 1.00 0.00 H new ATOM 0 HA ILE B 13 14.335 -0.908 -1.803 1.00 0.00 H new ATOM 0 HB ILE B 13 16.225 -0.344 -4.042 1.00 0.00 H new ATOM 0 HG12 ILE B 13 13.153 -0.110 -3.899 1.00 0.00 H new ATOM 0 HG13 ILE B 13 14.195 1.229 -3.461 1.00 0.00 H new ATOM 0 HG21 ILE B 13 14.890 -1.849 -5.471 1.00 0.00 H new ATOM 0 HG22 ILE B 13 15.746 -2.706 -4.167 1.00 0.00 H new ATOM 0 HG23 ILE B 13 13.999 -2.398 -4.032 1.00 0.00 H new ATOM 0 HD11 ILE B 13 13.369 1.481 -5.764 1.00 0.00 H new ATOM 0 HD12 ILE B 13 15.136 1.268 -5.759 1.00 0.00 H new ATOM 0 HD13 ILE B 13 14.076 -0.091 -6.205 1.00 0.00 H new ATOM 940 N GLU B 14 17.556 -1.600 -1.523 1.00 0.00 N ATOM 941 CA GLU B 14 18.516 -2.560 -0.984 1.00 0.00 C ATOM 942 C GLU B 14 18.253 -2.781 0.510 1.00 0.00 C ATOM 943 O GLU B 14 18.366 -3.898 1.019 1.00 0.00 O ATOM 944 CB GLU B 14 19.938 -2.008 -1.149 1.00 0.00 C ATOM 945 CG GLU B 14 20.262 -1.597 -2.584 1.00 0.00 C ATOM 946 CD GLU B 14 20.171 -2.749 -3.584 1.00 0.00 C ATOM 947 OE1 GLU B 14 20.812 -3.791 -3.337 1.00 0.00 O ATOM 948 OE2 GLU B 14 19.561 -2.557 -4.662 1.00 0.00 O ATOM 0 H GLU B 14 17.987 -0.735 -1.849 1.00 0.00 H new ATOM 0 HA GLU B 14 18.410 -3.502 -1.522 1.00 0.00 H new ATOM 0 HB2 GLU B 14 20.064 -1.146 -0.494 1.00 0.00 H new ATOM 0 HB3 GLU B 14 20.654 -2.763 -0.824 1.00 0.00 H new ATOM 0 HG2 GLU B 14 19.578 -0.806 -2.890 1.00 0.00 H new ATOM 0 HG3 GLU B 14 21.268 -1.178 -2.615 1.00 0.00 H new ATOM 955 N ARG B 15 17.929 -1.710 1.246 1.00 0.00 N ATOM 956 CA ARG B 15 17.648 -1.771 2.685 1.00 0.00 C ATOM 957 C ARG B 15 16.391 -2.601 2.921 1.00 0.00 C ATOM 958 O ARG B 15 16.230 -3.144 4.016 1.00 0.00 O ATOM 959 CB ARG B 15 17.515 -0.364 3.306 1.00 0.00 C ATOM 960 CG ARG B 15 18.734 0.524 3.014 1.00 0.00 C ATOM 961 CD ARG B 15 18.544 2.000 3.367 1.00 0.00 C ATOM 962 NE ARG B 15 18.800 2.303 4.780 1.00 0.00 N ATOM 963 CZ ARG B 15 18.772 3.537 5.295 1.00 0.00 C ATOM 964 NH1 ARG B 15 18.484 4.598 4.558 1.00 0.00 N ATOM 965 NH2 ARG B 15 19.051 3.711 6.572 1.00 0.00 N ATOM 0 H ARG B 15 17.854 -0.770 0.856 1.00 0.00 H new ATOM 0 HA ARG B 15 18.492 -2.250 3.182 1.00 0.00 H new ATOM 0 HB2 ARG B 15 16.617 0.118 2.918 1.00 0.00 H new ATOM 0 HB3 ARG B 15 17.387 -0.457 4.384 1.00 0.00 H new ATOM 0 HG2 ARG B 15 19.589 0.138 3.569 1.00 0.00 H new ATOM 0 HG3 ARG B 15 18.979 0.446 1.955 1.00 0.00 H new ATOM 0 HD2 ARG B 15 19.210 2.602 2.748 1.00 0.00 H new ATOM 0 HD3 ARG B 15 17.525 2.296 3.119 1.00 0.00 H new ATOM 0 HE ARG B 15 19.012 1.526 5.406 1.00 0.00 H new ATOM 0 HH11 ARG B 15 18.275 4.488 3.566 1.00 0.00 H new ATOM 0 HH12 ARG B 15 18.471 5.525 4.982 1.00 0.00 H new ATOM 0 HH21 ARG B 15 19.285 2.909 7.157 1.00 0.00 H new ATOM 0 HH22 ARG B 15 19.033 4.648 6.975 1.00 0.00 H new ATOM 979 N LEU B 16 15.494 -2.673 1.935 1.00 0.00 N ATOM 980 CA LEU B 16 14.268 -3.448 1.998 1.00 0.00 C ATOM 981 C LEU B 16 14.588 -4.905 1.674 1.00 0.00 C ATOM 982 O LEU B 16 14.125 -5.775 2.403 1.00 0.00 O ATOM 983 CB LEU B 16 13.210 -2.877 1.044 1.00 0.00 C ATOM 984 CG LEU B 16 12.465 -1.671 1.638 1.00 0.00 C ATOM 985 CD1 LEU B 16 11.749 -0.889 0.537 1.00 0.00 C ATOM 986 CD2 LEU B 16 11.443 -2.158 2.664 1.00 0.00 C ATOM 0 H LEU B 16 15.610 -2.178 1.051 1.00 0.00 H new ATOM 0 HA LEU B 16 13.850 -3.392 3.003 1.00 0.00 H new ATOM 0 HB2 LEU B 16 13.690 -2.579 0.112 1.00 0.00 H new ATOM 0 HB3 LEU B 16 12.490 -3.658 0.797 1.00 0.00 H new ATOM 0 HG LEU B 16 13.189 -1.015 2.121 1.00 0.00 H new ATOM 0 HD11 LEU B 16 11.227 -0.039 0.975 1.00 0.00 H new ATOM 0 HD12 LEU B 16 12.479 -0.531 -0.189 1.00 0.00 H new ATOM 0 HD13 LEU B 16 11.030 -1.539 0.038 1.00 0.00 H new ATOM 0 HD21 LEU B 16 10.915 -1.303 3.085 1.00 0.00 H new ATOM 0 HD22 LEU B 16 10.729 -2.823 2.179 1.00 0.00 H new ATOM 0 HD23 LEU B 16 11.956 -2.696 3.461 1.00 0.00 H new ATOM 998 N MET B 17 15.405 -5.195 0.652 1.00 0.00 N ATOM 999 CA MET B 17 15.746 -6.580 0.311 1.00 0.00 C ATOM 1000 C MET B 17 16.306 -7.314 1.534 1.00 0.00 C ATOM 1001 O MET B 17 15.870 -8.427 1.829 1.00 0.00 O ATOM 1002 CB MET B 17 16.711 -6.672 -0.878 1.00 0.00 C ATOM 1003 CG MET B 17 16.078 -6.156 -2.174 1.00 0.00 C ATOM 1004 SD MET B 17 16.864 -6.783 -3.680 1.00 0.00 S ATOM 1005 CE MET B 17 16.282 -5.557 -4.874 1.00 0.00 C ATOM 0 H MET B 17 15.839 -4.493 0.052 1.00 0.00 H new ATOM 0 HA MET B 17 14.823 -7.071 0.002 1.00 0.00 H new ATOM 0 HB2 MET B 17 17.610 -6.096 -0.660 1.00 0.00 H new ATOM 0 HB3 MET B 17 17.021 -7.708 -1.014 1.00 0.00 H new ATOM 0 HG2 MET B 17 15.023 -6.431 -2.186 1.00 0.00 H new ATOM 0 HG3 MET B 17 16.123 -5.067 -2.180 1.00 0.00 H new ATOM 0 HE1 MET B 17 16.363 -5.964 -5.882 1.00 0.00 H new ATOM 0 HE2 MET B 17 15.241 -5.310 -4.664 1.00 0.00 H new ATOM 0 HE3 MET B 17 16.891 -4.656 -4.797 1.00 0.00 H new ATOM 1015 N SER B 18 17.177 -6.665 2.316 1.00 0.00 N ATOM 1016 CA SER B 18 17.771 -7.256 3.518 1.00 0.00 C ATOM 1017 C SER B 18 16.753 -7.561 4.637 1.00 0.00 C ATOM 1018 O SER B 18 17.157 -8.067 5.687 1.00 0.00 O ATOM 1019 CB SER B 18 18.894 -6.351 4.034 1.00 0.00 C ATOM 1020 OG SER B 18 19.983 -6.374 3.131 1.00 0.00 O ATOM 0 H SER B 18 17.490 -5.712 2.131 1.00 0.00 H new ATOM 0 HA SER B 18 18.175 -8.225 3.224 1.00 0.00 H new ATOM 0 HB2 SER B 18 18.527 -5.331 4.149 1.00 0.00 H new ATOM 0 HB3 SER B 18 19.220 -6.686 5.019 1.00 0.00 H new ATOM 0 HG SER B 18 20.697 -5.792 3.465 1.00 0.00 H new ATOM 1026 N GLN B 19 15.466 -7.236 4.480 1.00 0.00 N ATOM 1027 CA GLN B 19 14.396 -7.489 5.447 1.00 0.00 C ATOM 1028 C GLN B 19 13.516 -8.660 5.001 1.00 0.00 C ATOM 1029 O GLN B 19 12.541 -8.973 5.683 1.00 0.00 O ATOM 1030 CB GLN B 19 13.530 -6.236 5.631 1.00 0.00 C ATOM 1031 CG GLN B 19 14.324 -5.048 6.163 1.00 0.00 C ATOM 1032 CD GLN B 19 13.442 -3.810 6.284 1.00 0.00 C ATOM 1033 OE1 GLN B 19 12.465 -3.788 7.021 1.00 0.00 O ATOM 1034 NE2 GLN B 19 13.743 -2.750 5.555 1.00 0.00 N ATOM 0 H GLN B 19 15.128 -6.769 3.638 1.00 0.00 H new ATOM 0 HA GLN B 19 14.863 -7.746 6.398 1.00 0.00 H new ATOM 0 HB2 GLN B 19 13.078 -5.968 4.676 1.00 0.00 H new ATOM 0 HB3 GLN B 19 12.714 -6.460 6.318 1.00 0.00 H new ATOM 0 HG2 GLN B 19 14.745 -5.295 7.137 1.00 0.00 H new ATOM 0 HG3 GLN B 19 15.161 -4.838 5.497 1.00 0.00 H new ATOM 0 HE21 GLN B 19 14.557 -2.768 4.941 1.00 0.00 H new ATOM 0 HE22 GLN B 19 13.161 -1.914 5.607 1.00 0.00 H new ATOM 1043 N GLY B 20 13.818 -9.281 3.859 1.00 0.00 N ATOM 1044 CA GLY B 20 13.071 -10.409 3.327 1.00 0.00 C ATOM 1045 C GLY B 20 12.121 -10.024 2.204 1.00 0.00 C ATOM 1046 O GLY B 20 11.460 -10.905 1.651 1.00 0.00 O ATOM 0 H GLY B 20 14.604 -9.004 3.271 1.00 0.00 H new ATOM 0 HA2 GLY B 20 13.771 -11.159 2.960 1.00 0.00 H new ATOM 0 HA3 GLY B 20 12.501 -10.872 4.133 1.00 0.00 H new ATOM 1050 N TYR B 21 11.989 -8.728 1.917 1.00 0.00 N ATOM 1051 CA TYR B 21 11.140 -8.216 0.853 1.00 0.00 C ATOM 1052 C TYR B 21 11.853 -8.485 -0.482 1.00 0.00 C ATOM 1053 O TYR B 21 13.062 -8.727 -0.499 1.00 0.00 O ATOM 1054 CB TYR B 21 10.917 -6.719 1.085 1.00 0.00 C ATOM 1055 CG TYR B 21 10.298 -6.334 2.422 1.00 0.00 C ATOM 1056 CD1 TYR B 21 9.046 -6.837 2.834 1.00 0.00 C ATOM 1057 CD2 TYR B 21 10.960 -5.404 3.237 1.00 0.00 C ATOM 1058 CE1 TYR B 21 8.464 -6.390 4.039 1.00 0.00 C ATOM 1059 CE2 TYR B 21 10.376 -4.929 4.419 1.00 0.00 C ATOM 1060 CZ TYR B 21 9.115 -5.405 4.820 1.00 0.00 C ATOM 1061 OH TYR B 21 8.537 -4.860 5.925 1.00 0.00 O ATOM 0 H TYR B 21 12.480 -7.996 2.430 1.00 0.00 H new ATOM 0 HA TYR B 21 10.165 -8.703 0.837 1.00 0.00 H new ATOM 0 HB2 TYR B 21 11.877 -6.211 0.992 1.00 0.00 H new ATOM 0 HB3 TYR B 21 10.277 -6.340 0.288 1.00 0.00 H new ATOM 0 HD1 TYR B 21 8.532 -7.566 2.225 1.00 0.00 H new ATOM 0 HD2 TYR B 21 11.938 -5.047 2.948 1.00 0.00 H new ATOM 0 HE1 TYR B 21 7.520 -6.800 4.366 1.00 0.00 H new ATOM 0 HE2 TYR B 21 10.894 -4.198 5.022 1.00 0.00 H new ATOM 0 HH TYR B 21 9.146 -4.203 6.322 1.00 0.00 H new ATOM 1071 N SER B 22 11.140 -8.418 -1.604 1.00 0.00 N ATOM 1072 CA SER B 22 11.696 -8.661 -2.931 1.00 0.00 C ATOM 1073 C SER B 22 11.419 -7.473 -3.839 1.00 0.00 C ATOM 1074 O SER B 22 10.451 -6.745 -3.639 1.00 0.00 O ATOM 1075 CB SER B 22 11.064 -9.921 -3.511 1.00 0.00 C ATOM 1076 OG SER B 22 11.529 -11.077 -2.844 1.00 0.00 O ATOM 0 H SER B 22 10.146 -8.190 -1.616 1.00 0.00 H new ATOM 0 HA SER B 22 12.775 -8.795 -2.856 1.00 0.00 H new ATOM 0 HB2 SER B 22 9.979 -9.860 -3.426 1.00 0.00 H new ATOM 0 HB3 SER B 22 11.297 -9.992 -4.574 1.00 0.00 H new ATOM 0 HG SER B 22 11.107 -11.871 -3.234 1.00 0.00 H new ATOM 1082 N TYR B 23 12.223 -7.297 -4.891 1.00 0.00 N ATOM 1083 CA TYR B 23 12.075 -6.186 -5.828 1.00 0.00 C ATOM 1084 C TYR B 23 10.649 -6.071 -6.368 1.00 0.00 C ATOM 1085 O TYR B 23 10.156 -4.966 -6.581 1.00 0.00 O ATOM 1086 CB TYR B 23 13.077 -6.330 -6.973 1.00 0.00 C ATOM 1087 CG TYR B 23 13.212 -5.092 -7.835 1.00 0.00 C ATOM 1088 CD1 TYR B 23 13.752 -3.917 -7.284 1.00 0.00 C ATOM 1089 CD2 TYR B 23 12.794 -5.103 -9.180 1.00 0.00 C ATOM 1090 CE1 TYR B 23 13.869 -2.755 -8.063 1.00 0.00 C ATOM 1091 CE2 TYR B 23 12.915 -3.945 -9.966 1.00 0.00 C ATOM 1092 CZ TYR B 23 13.455 -2.762 -9.414 1.00 0.00 C ATOM 1093 OH TYR B 23 13.560 -1.624 -10.156 1.00 0.00 O ATOM 0 H TYR B 23 12.996 -7.924 -5.115 1.00 0.00 H new ATOM 0 HA TYR B 23 12.283 -5.265 -5.283 1.00 0.00 H new ATOM 0 HB2 TYR B 23 14.054 -6.579 -6.558 1.00 0.00 H new ATOM 0 HB3 TYR B 23 12.775 -7.167 -7.603 1.00 0.00 H new ATOM 0 HD1 TYR B 23 14.079 -3.908 -6.255 1.00 0.00 H new ATOM 0 HD2 TYR B 23 12.380 -6.004 -9.608 1.00 0.00 H new ATOM 0 HE1 TYR B 23 14.276 -1.854 -7.629 1.00 0.00 H new ATOM 0 HE2 TYR B 23 12.594 -3.959 -10.997 1.00 0.00 H new ATOM 0 HH TYR B 23 13.234 -1.795 -11.064 1.00 0.00 H new ATOM 1103 N GLN B 24 9.963 -7.200 -6.574 1.00 0.00 N ATOM 1104 CA GLN B 24 8.602 -7.181 -7.078 1.00 0.00 C ATOM 1105 C GLN B 24 7.671 -6.405 -6.141 1.00 0.00 C ATOM 1106 O GLN B 24 7.013 -5.463 -6.597 1.00 0.00 O ATOM 1107 CB GLN B 24 8.089 -8.603 -7.336 1.00 0.00 C ATOM 1108 CG GLN B 24 8.755 -9.231 -8.568 1.00 0.00 C ATOM 1109 CD GLN B 24 8.007 -10.475 -9.044 1.00 0.00 C ATOM 1110 OE1 GLN B 24 8.463 -11.602 -8.881 1.00 0.00 O ATOM 1111 NE2 GLN B 24 6.844 -10.310 -9.657 1.00 0.00 N ATOM 0 H GLN B 24 10.335 -8.133 -6.397 1.00 0.00 H new ATOM 0 HA GLN B 24 8.607 -6.657 -8.034 1.00 0.00 H new ATOM 0 HB2 GLN B 24 8.282 -9.224 -6.461 1.00 0.00 H new ATOM 0 HB3 GLN B 24 7.009 -8.580 -7.478 1.00 0.00 H new ATOM 0 HG2 GLN B 24 8.792 -8.498 -9.374 1.00 0.00 H new ATOM 0 HG3 GLN B 24 9.785 -9.495 -8.329 1.00 0.00 H new ATOM 0 HE21 GLN B 24 6.467 -9.372 -9.791 1.00 0.00 H new ATOM 0 HE22 GLN B 24 6.326 -11.121 -9.995 1.00 0.00 H new ATOM 1120 N ASP B 25 7.585 -6.815 -4.874 1.00 0.00 N ATOM 1121 CA ASP B 25 6.746 -6.170 -3.867 1.00 0.00 C ATOM 1122 C ASP B 25 7.276 -4.770 -3.546 1.00 0.00 C ATOM 1123 O ASP B 25 6.488 -3.825 -3.522 1.00 0.00 O ATOM 1124 CB ASP B 25 6.568 -7.053 -2.620 1.00 0.00 C ATOM 1125 CG ASP B 25 7.855 -7.409 -1.882 1.00 0.00 C ATOM 1126 OD1 ASP B 25 8.438 -6.528 -1.227 1.00 0.00 O ATOM 1127 OD2 ASP B 25 8.275 -8.588 -1.966 1.00 0.00 O ATOM 0 H ASP B 25 8.105 -7.616 -4.515 1.00 0.00 H new ATOM 0 HA ASP B 25 5.745 -6.044 -4.279 1.00 0.00 H new ATOM 0 HB2 ASP B 25 5.901 -6.542 -1.926 1.00 0.00 H new ATOM 0 HB3 ASP B 25 6.072 -7.977 -2.917 1.00 0.00 H new ATOM 1132 N ILE B 26 8.597 -4.585 -3.427 1.00 0.00 N ATOM 1133 CA ILE B 26 9.216 -3.294 -3.134 1.00 0.00 C ATOM 1134 C ILE B 26 8.738 -2.276 -4.167 1.00 0.00 C ATOM 1135 O ILE B 26 8.204 -1.226 -3.792 1.00 0.00 O ATOM 1136 CB ILE B 26 10.758 -3.407 -3.072 1.00 0.00 C ATOM 1137 CG1 ILE B 26 11.224 -4.246 -1.863 1.00 0.00 C ATOM 1138 CG2 ILE B 26 11.390 -2.006 -2.996 1.00 0.00 C ATOM 1139 CD1 ILE B 26 12.685 -4.710 -1.985 1.00 0.00 C ATOM 0 H ILE B 26 9.272 -5.342 -3.534 1.00 0.00 H new ATOM 0 HA ILE B 26 8.909 -2.952 -2.146 1.00 0.00 H new ATOM 0 HB ILE B 26 11.084 -3.912 -3.981 1.00 0.00 H new ATOM 0 HG12 ILE B 26 11.110 -3.657 -0.953 1.00 0.00 H new ATOM 0 HG13 ILE B 26 10.578 -5.118 -1.762 1.00 0.00 H new ATOM 0 HG21 ILE B 26 12.475 -2.098 -2.953 1.00 0.00 H new ATOM 0 HG22 ILE B 26 11.109 -1.432 -3.879 1.00 0.00 H new ATOM 0 HG23 ILE B 26 11.034 -1.494 -2.102 1.00 0.00 H new ATOM 0 HD11 ILE B 26 12.956 -5.295 -1.106 1.00 0.00 H new ATOM 0 HD12 ILE B 26 12.798 -5.324 -2.879 1.00 0.00 H new ATOM 0 HD13 ILE B 26 13.338 -3.840 -2.057 1.00 0.00 H new ATOM 1151 N GLN B 27 8.902 -2.594 -5.455 1.00 0.00 N ATOM 1152 CA GLN B 27 8.476 -1.713 -6.524 1.00 0.00 C ATOM 1153 C GLN B 27 6.963 -1.507 -6.488 1.00 0.00 C ATOM 1154 O GLN B 27 6.537 -0.362 -6.541 1.00 0.00 O ATOM 1155 CB GLN B 27 8.907 -2.257 -7.889 1.00 0.00 C ATOM 1156 CG GLN B 27 10.421 -2.177 -8.114 1.00 0.00 C ATOM 1157 CD GLN B 27 10.941 -0.746 -8.158 1.00 0.00 C ATOM 1158 OE1 GLN B 27 11.523 -0.240 -7.204 1.00 0.00 O ATOM 1159 NE2 GLN B 27 10.739 -0.040 -9.255 1.00 0.00 N ATOM 0 H GLN B 27 9.331 -3.463 -5.774 1.00 0.00 H new ATOM 0 HA GLN B 27 8.960 -0.748 -6.372 1.00 0.00 H new ATOM 0 HB2 GLN B 27 8.586 -3.295 -7.978 1.00 0.00 H new ATOM 0 HB3 GLN B 27 8.398 -1.698 -8.674 1.00 0.00 H new ATOM 0 HG2 GLN B 27 10.930 -2.719 -7.317 1.00 0.00 H new ATOM 0 HG3 GLN B 27 10.671 -2.677 -9.050 1.00 0.00 H new ATOM 0 HE21 GLN B 27 10.255 -0.459 -10.049 1.00 0.00 H new ATOM 0 HE22 GLN B 27 11.067 0.924 -9.308 1.00 0.00 H new ATOM 1168 N LYS B 28 6.132 -2.555 -6.390 1.00 0.00 N ATOM 1169 CA LYS B 28 4.670 -2.375 -6.366 1.00 0.00 C ATOM 1170 C LYS B 28 4.240 -1.383 -5.285 1.00 0.00 C ATOM 1171 O LYS B 28 3.289 -0.632 -5.486 1.00 0.00 O ATOM 1172 CB LYS B 28 3.952 -3.726 -6.193 1.00 0.00 C ATOM 1173 CG LYS B 28 3.961 -4.526 -7.505 1.00 0.00 C ATOM 1174 CD LYS B 28 3.524 -5.987 -7.346 1.00 0.00 C ATOM 1175 CE LYS B 28 2.014 -6.109 -7.110 1.00 0.00 C ATOM 1176 NZ LYS B 28 1.565 -7.514 -7.141 1.00 0.00 N ATOM 0 H LYS B 28 6.440 -3.525 -6.327 1.00 0.00 H new ATOM 0 HA LYS B 28 4.377 -1.955 -7.328 1.00 0.00 H new ATOM 0 HB2 LYS B 28 4.440 -4.303 -5.408 1.00 0.00 H new ATOM 0 HB3 LYS B 28 2.924 -3.557 -5.873 1.00 0.00 H new ATOM 0 HG2 LYS B 28 3.302 -4.036 -8.222 1.00 0.00 H new ATOM 0 HG3 LYS B 28 4.966 -4.502 -7.927 1.00 0.00 H new ATOM 0 HD2 LYS B 28 3.798 -6.547 -8.240 1.00 0.00 H new ATOM 0 HD3 LYS B 28 4.060 -6.437 -6.510 1.00 0.00 H new ATOM 0 HE2 LYS B 28 1.760 -5.668 -6.146 1.00 0.00 H new ATOM 0 HE3 LYS B 28 1.480 -5.540 -7.871 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 0.720 -7.622 -6.544 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 1.335 -7.783 -8.119 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 2.323 -8.129 -6.782 1.00 0.00 H new ATOM 1190 N ALA B 29 4.909 -1.390 -4.136 1.00 0.00 N ATOM 1191 CA ALA B 29 4.602 -0.486 -3.035 1.00 0.00 C ATOM 1192 C ALA B 29 5.009 0.923 -3.456 1.00 0.00 C ATOM 1193 O ALA B 29 4.210 1.843 -3.325 1.00 0.00 O ATOM 1194 CB ALA B 29 5.305 -0.922 -1.745 1.00 0.00 C ATOM 0 H ALA B 29 5.683 -2.026 -3.943 1.00 0.00 H new ATOM 0 HA ALA B 29 3.534 -0.507 -2.819 1.00 0.00 H new ATOM 0 HB1 ALA B 29 5.056 -0.228 -0.942 1.00 0.00 H new ATOM 0 HB2 ALA B 29 4.976 -1.925 -1.472 1.00 0.00 H new ATOM 0 HB3 ALA B 29 6.384 -0.924 -1.901 1.00 0.00 H new ATOM 1200 N LEU B 30 6.231 1.093 -3.972 1.00 0.00 N ATOM 1201 CA LEU B 30 6.756 2.379 -4.427 1.00 0.00 C ATOM 1202 C LEU B 30 5.831 3.020 -5.455 1.00 0.00 C ATOM 1203 O LEU B 30 5.484 4.186 -5.306 1.00 0.00 O ATOM 1204 CB LEU B 30 8.171 2.211 -5.010 1.00 0.00 C ATOM 1205 CG LEU B 30 9.273 2.289 -3.942 1.00 0.00 C ATOM 1206 CD1 LEU B 30 10.593 1.760 -4.511 1.00 0.00 C ATOM 1207 CD2 LEU B 30 9.456 3.739 -3.476 1.00 0.00 C ATOM 0 H LEU B 30 6.893 0.325 -4.086 1.00 0.00 H new ATOM 0 HA LEU B 30 6.811 3.041 -3.563 1.00 0.00 H new ATOM 0 HB2 LEU B 30 8.236 1.251 -5.522 1.00 0.00 H new ATOM 0 HB3 LEU B 30 8.343 2.984 -5.759 1.00 0.00 H new ATOM 0 HG LEU B 30 8.978 1.676 -3.090 1.00 0.00 H new ATOM 0 HD11 LEU B 30 11.368 1.819 -3.747 1.00 0.00 H new ATOM 0 HD12 LEU B 30 10.466 0.722 -4.820 1.00 0.00 H new ATOM 0 HD13 LEU B 30 10.885 2.362 -5.372 1.00 0.00 H new ATOM 0 HD21 LEU B 30 10.239 3.782 -2.719 1.00 0.00 H new ATOM 0 HD22 LEU B 30 9.738 4.361 -4.325 1.00 0.00 H new ATOM 0 HD23 LEU B 30 8.521 4.106 -3.052 1.00 0.00 H new ATOM 1219 N VAL B 31 5.422 2.271 -6.474 1.00 0.00 N ATOM 1220 CA VAL B 31 4.545 2.735 -7.541 1.00 0.00 C ATOM 1221 C VAL B 31 3.218 3.231 -6.958 1.00 0.00 C ATOM 1222 O VAL B 31 2.744 4.321 -7.291 1.00 0.00 O ATOM 1223 CB VAL B 31 4.346 1.578 -8.542 1.00 0.00 C ATOM 1224 CG1 VAL B 31 3.381 1.956 -9.669 1.00 0.00 C ATOM 1225 CG2 VAL B 31 5.668 1.130 -9.188 1.00 0.00 C ATOM 0 H VAL B 31 5.700 1.296 -6.582 1.00 0.00 H new ATOM 0 HA VAL B 31 4.991 3.579 -8.067 1.00 0.00 H new ATOM 0 HB VAL B 31 3.931 0.760 -7.954 1.00 0.00 H new ATOM 0 HG11 VAL B 31 3.270 1.113 -10.351 1.00 0.00 H new ATOM 0 HG12 VAL B 31 2.409 2.211 -9.246 1.00 0.00 H new ATOM 0 HG13 VAL B 31 3.776 2.814 -10.214 1.00 0.00 H new ATOM 0 HG21 VAL B 31 5.475 0.314 -9.884 1.00 0.00 H new ATOM 0 HG22 VAL B 31 6.113 1.968 -9.725 1.00 0.00 H new ATOM 0 HG23 VAL B 31 6.355 0.790 -8.413 1.00 0.00 H new ATOM 1235 N ILE B 32 2.599 2.448 -6.074 1.00 0.00 N ATOM 1236 CA ILE B 32 1.327 2.832 -5.476 1.00 0.00 C ATOM 1237 C ILE B 32 1.521 4.018 -4.516 1.00 0.00 C ATOM 1238 O ILE B 32 0.592 4.804 -4.313 1.00 0.00 O ATOM 1239 CB ILE B 32 0.652 1.601 -4.847 1.00 0.00 C ATOM 1240 CG1 ILE B 32 0.390 0.521 -5.925 1.00 0.00 C ATOM 1241 CG2 ILE B 32 -0.689 2.007 -4.228 1.00 0.00 C ATOM 1242 CD1 ILE B 32 0.116 -0.855 -5.318 1.00 0.00 C ATOM 0 H ILE B 32 2.959 1.547 -5.759 1.00 0.00 H new ATOM 0 HA ILE B 32 0.639 3.192 -6.241 1.00 0.00 H new ATOM 0 HB ILE B 32 1.315 1.199 -4.080 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -0.461 0.821 -6.537 1.00 0.00 H new ATOM 0 HG13 ILE B 32 1.253 0.457 -6.588 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -1.164 1.133 -3.783 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -0.521 2.760 -3.458 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -1.337 2.418 -5.002 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -0.061 -1.576 -6.116 1.00 0.00 H new ATOM 0 HD12 ILE B 32 0.977 -1.171 -4.729 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -0.763 -0.801 -4.676 1.00 0.00 H new ATOM 1254 N ALA B 33 2.715 4.184 -3.948 1.00 0.00 N ATOM 1255 CA ALA B 33 3.076 5.256 -3.037 1.00 0.00 C ATOM 1256 C ALA B 33 3.558 6.501 -3.794 1.00 0.00 C ATOM 1257 O ALA B 33 4.036 7.438 -3.157 1.00 0.00 O ATOM 1258 CB ALA B 33 4.157 4.750 -2.082 1.00 0.00 C ATOM 0 H ALA B 33 3.489 3.542 -4.122 1.00 0.00 H new ATOM 0 HA ALA B 33 2.193 5.551 -2.470 1.00 0.00 H new ATOM 0 HB1 ALA B 33 4.436 5.547 -1.393 1.00 0.00 H new ATOM 0 HB2 ALA B 33 3.775 3.900 -1.517 1.00 0.00 H new ATOM 0 HB3 ALA B 33 5.032 4.442 -2.654 1.00 0.00 H new ATOM 1264 N HIS B 34 3.421 6.545 -5.125 1.00 0.00 N ATOM 1265 CA HIS B 34 3.871 7.658 -5.966 1.00 0.00 C ATOM 1266 C HIS B 34 5.370 7.909 -5.721 1.00 0.00 C ATOM 1267 O HIS B 34 5.809 9.033 -5.475 1.00 0.00 O ATOM 1268 CB HIS B 34 3.017 8.928 -5.774 1.00 0.00 C ATOM 1269 CG HIS B 34 1.523 8.791 -5.954 1.00 0.00 C ATOM 1270 ND1 HIS B 34 0.603 9.733 -5.554 1.00 0.00 N ATOM 1271 CD2 HIS B 34 0.835 7.766 -6.549 1.00 0.00 C ATOM 1272 CE1 HIS B 34 -0.615 9.285 -5.891 1.00 0.00 C ATOM 1273 NE2 HIS B 34 -0.527 8.093 -6.510 1.00 0.00 N ATOM 0 H HIS B 34 2.985 5.792 -5.657 1.00 0.00 H new ATOM 0 HA HIS B 34 3.733 7.381 -7.011 1.00 0.00 H new ATOM 0 HB2 HIS B 34 3.202 9.311 -4.770 1.00 0.00 H new ATOM 0 HB3 HIS B 34 3.373 9.683 -6.474 1.00 0.00 H new ATOM 0 HD2 HIS B 34 1.264 6.869 -6.971 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -1.539 9.808 -5.693 1.00 0.00 H new ATOM 0 HE2 HIS B 34 -1.299 7.537 -6.878 1.00 0.00 H new ATOM 1281 N ASN B 35 6.164 6.835 -5.765 1.00 0.00 N ATOM 1282 CA ASN B 35 7.615 6.773 -5.559 1.00 0.00 C ATOM 1283 C ASN B 35 8.068 7.212 -4.153 1.00 0.00 C ATOM 1284 O ASN B 35 9.266 7.387 -3.914 1.00 0.00 O ATOM 1285 CB ASN B 35 8.382 7.437 -6.722 1.00 0.00 C ATOM 1286 CG ASN B 35 8.418 6.544 -7.960 1.00 0.00 C ATOM 1287 OD1 ASN B 35 9.549 5.934 -8.270 1.00 0.00 O flip ATOM 1288 ND2 ASN B 35 7.413 6.359 -8.638 1.00 0.00 N flip ATOM 0 H ASN B 35 5.778 5.912 -5.961 1.00 0.00 H new ATOM 0 HA ASN B 35 7.891 5.719 -5.585 1.00 0.00 H new ATOM 0 HB2 ASN B 35 7.911 8.387 -6.973 1.00 0.00 H new ATOM 0 HB3 ASN B 35 9.401 7.660 -6.405 1.00 0.00 H new ATOM 0 HD21 ASN B 35 6.541 6.831 -8.397 1.00 0.00 H new ATOM 0 HD22 ASN B 35 7.449 5.733 -9.443 1.00 0.00 H new ATOM 1295 N ASN B 36 7.141 7.393 -3.205 1.00 0.00 N ATOM 1296 CA ASN B 36 7.462 7.781 -1.835 1.00 0.00 C ATOM 1297 C ASN B 36 7.949 6.527 -1.109 1.00 0.00 C ATOM 1298 O ASN B 36 7.144 5.675 -0.726 1.00 0.00 O ATOM 1299 CB ASN B 36 6.240 8.390 -1.135 1.00 0.00 C ATOM 1300 CG ASN B 36 6.545 8.856 0.286 1.00 0.00 C ATOM 1301 OD1 ASN B 36 7.408 8.330 0.984 1.00 0.00 O ATOM 1302 ND2 ASN B 36 5.800 9.828 0.772 1.00 0.00 N ATOM 0 H ASN B 36 6.142 7.273 -3.372 1.00 0.00 H new ATOM 0 HA ASN B 36 8.237 8.547 -1.827 1.00 0.00 H new ATOM 0 HB2 ASN B 36 5.876 9.235 -1.719 1.00 0.00 H new ATOM 0 HB3 ASN B 36 5.438 7.652 -1.107 1.00 0.00 H new ATOM 0 HD21 ASN B 36 5.939 10.146 1.731 1.00 0.00 H new ATOM 0 HD22 ASN B 36 5.084 10.262 0.189 1.00 0.00 H new ATOM 1309 N ILE B 37 9.261 6.396 -0.922 1.00 0.00 N ATOM 1310 CA ILE B 37 9.866 5.246 -0.259 1.00 0.00 C ATOM 1311 C ILE B 37 9.384 5.052 1.183 1.00 0.00 C ATOM 1312 O ILE B 37 9.193 3.919 1.611 1.00 0.00 O ATOM 1313 CB ILE B 37 11.405 5.361 -0.357 1.00 0.00 C ATOM 1314 CG1 ILE B 37 12.134 4.110 0.169 1.00 0.00 C ATOM 1315 CG2 ILE B 37 11.970 6.590 0.385 1.00 0.00 C ATOM 1316 CD1 ILE B 37 12.080 2.892 -0.758 1.00 0.00 C ATOM 0 H ILE B 37 9.939 7.093 -1.230 1.00 0.00 H new ATOM 0 HA ILE B 37 9.540 4.344 -0.777 1.00 0.00 H new ATOM 0 HB ILE B 37 11.593 5.469 -1.425 1.00 0.00 H new ATOM 0 HG12 ILE B 37 13.178 4.365 0.349 1.00 0.00 H new ATOM 0 HG13 ILE B 37 11.703 3.835 1.132 1.00 0.00 H new ATOM 0 HG21 ILE B 37 13.054 6.613 0.278 1.00 0.00 H new ATOM 0 HG22 ILE B 37 11.544 7.499 -0.040 1.00 0.00 H new ATOM 0 HG23 ILE B 37 11.711 6.528 1.442 1.00 0.00 H new ATOM 0 HD11 ILE B 37 12.621 2.063 -0.301 1.00 0.00 H new ATOM 0 HD12 ILE B 37 11.041 2.603 -0.919 1.00 0.00 H new ATOM 0 HD13 ILE B 37 12.540 3.142 -1.714 1.00 0.00 H new ATOM 1328 N GLU B 38 9.197 6.123 1.947 1.00 0.00 N ATOM 1329 CA GLU B 38 8.770 6.050 3.342 1.00 0.00 C ATOM 1330 C GLU B 38 7.356 5.493 3.453 1.00 0.00 C ATOM 1331 O GLU B 38 7.033 4.713 4.350 1.00 0.00 O ATOM 1332 CB GLU B 38 8.836 7.447 3.970 1.00 0.00 C ATOM 1333 CG GLU B 38 10.227 8.073 3.768 1.00 0.00 C ATOM 1334 CD GLU B 38 10.510 9.250 4.695 1.00 0.00 C ATOM 1335 OE1 GLU B 38 10.132 9.170 5.884 1.00 0.00 O ATOM 1336 OE2 GLU B 38 11.221 10.193 4.276 1.00 0.00 O ATOM 0 H GLU B 38 9.339 7.076 1.613 1.00 0.00 H new ATOM 0 HA GLU B 38 9.440 5.376 3.876 1.00 0.00 H new ATOM 0 HB2 GLU B 38 8.076 8.088 3.523 1.00 0.00 H new ATOM 0 HB3 GLU B 38 8.613 7.383 5.035 1.00 0.00 H new ATOM 0 HG2 GLU B 38 10.987 7.307 3.925 1.00 0.00 H new ATOM 0 HG3 GLU B 38 10.319 8.406 2.734 1.00 0.00 H new ATOM 1343 N MET B 39 6.495 5.927 2.543 1.00 0.00 N ATOM 1344 CA MET B 39 5.111 5.514 2.456 1.00 0.00 C ATOM 1345 C MET B 39 5.099 4.049 2.019 1.00 0.00 C ATOM 1346 O MET B 39 4.445 3.222 2.650 1.00 0.00 O ATOM 1347 CB MET B 39 4.460 6.457 1.453 1.00 0.00 C ATOM 1348 CG MET B 39 2.950 6.395 1.325 1.00 0.00 C ATOM 1349 SD MET B 39 2.389 7.759 0.265 1.00 0.00 S ATOM 1350 CE MET B 39 0.617 7.675 0.573 1.00 0.00 C ATOM 0 H MET B 39 6.755 6.600 1.822 1.00 0.00 H new ATOM 0 HA MET B 39 4.558 5.571 3.394 1.00 0.00 H new ATOM 0 HB2 MET B 39 4.735 7.477 1.720 1.00 0.00 H new ATOM 0 HB3 MET B 39 4.891 6.257 0.472 1.00 0.00 H new ATOM 0 HG2 MET B 39 2.647 5.438 0.899 1.00 0.00 H new ATOM 0 HG3 MET B 39 2.486 6.467 2.308 1.00 0.00 H new ATOM 0 HE1 MET B 39 0.114 8.471 0.024 1.00 0.00 H new ATOM 0 HE2 MET B 39 0.235 6.709 0.242 1.00 0.00 H new ATOM 0 HE3 MET B 39 0.427 7.793 1.640 1.00 0.00 H new ATOM 1360 N ALA B 40 5.881 3.706 0.990 1.00 0.00 N ATOM 1361 CA ALA B 40 5.988 2.353 0.467 1.00 0.00 C ATOM 1362 C ALA B 40 6.465 1.381 1.554 1.00 0.00 C ATOM 1363 O ALA B 40 5.953 0.266 1.668 1.00 0.00 O ATOM 1364 CB ALA B 40 6.936 2.365 -0.731 1.00 0.00 C ATOM 0 H ALA B 40 6.465 4.378 0.493 1.00 0.00 H new ATOM 0 HA ALA B 40 5.007 2.005 0.142 1.00 0.00 H new ATOM 0 HB1 ALA B 40 7.026 1.356 -1.134 1.00 0.00 H new ATOM 0 HB2 ALA B 40 6.542 3.029 -1.500 1.00 0.00 H new ATOM 0 HB3 ALA B 40 7.917 2.718 -0.415 1.00 0.00 H new ATOM 1370 N LYS B 41 7.422 1.802 2.388 1.00 0.00 N ATOM 1371 CA LYS B 41 7.951 0.995 3.486 1.00 0.00 C ATOM 1372 C LYS B 41 6.830 0.662 4.465 1.00 0.00 C ATOM 1373 O LYS B 41 6.792 -0.462 4.969 1.00 0.00 O ATOM 1374 CB LYS B 41 9.080 1.755 4.190 1.00 0.00 C ATOM 1375 CG LYS B 41 10.401 1.623 3.433 1.00 0.00 C ATOM 1376 CD LYS B 41 11.431 2.652 3.899 1.00 0.00 C ATOM 1377 CE LYS B 41 12.809 2.234 3.381 1.00 0.00 C ATOM 1378 NZ LYS B 41 13.496 1.335 4.337 1.00 0.00 N ATOM 0 H LYS B 41 7.854 2.723 2.316 1.00 0.00 H new ATOM 0 HA LYS B 41 8.356 0.063 3.092 1.00 0.00 H new ATOM 0 HB2 LYS B 41 8.813 2.808 4.276 1.00 0.00 H new ATOM 0 HB3 LYS B 41 9.201 1.373 5.204 1.00 0.00 H new ATOM 0 HG2 LYS B 41 10.801 0.619 3.574 1.00 0.00 H new ATOM 0 HG3 LYS B 41 10.221 1.747 2.365 1.00 0.00 H new ATOM 0 HD2 LYS B 41 11.171 3.643 3.526 1.00 0.00 H new ATOM 0 HD3 LYS B 41 11.439 2.713 4.987 1.00 0.00 H new ATOM 0 HE2 LYS B 41 12.701 1.731 2.420 1.00 0.00 H new ATOM 0 HE3 LYS B 41 13.419 3.121 3.210 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 14.427 1.070 3.957 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 13.620 1.825 5.246 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 12.924 0.478 4.480 1.00 0.00 H new ATOM 1392 N ASN B 42 5.920 1.610 4.721 1.00 0.00 N ATOM 1393 CA ASN B 42 4.790 1.399 5.622 1.00 0.00 C ATOM 1394 C ASN B 42 3.856 0.353 5.007 1.00 0.00 C ATOM 1395 O ASN B 42 3.352 -0.489 5.748 1.00 0.00 O ATOM 1396 CB ASN B 42 4.020 2.701 5.926 1.00 0.00 C ATOM 1397 CG ASN B 42 4.765 3.693 6.812 1.00 0.00 C ATOM 1398 OD1 ASN B 42 5.940 3.539 7.120 1.00 0.00 O ATOM 1399 ND2 ASN B 42 4.116 4.760 7.244 1.00 0.00 N ATOM 0 H ASN B 42 5.950 2.542 4.308 1.00 0.00 H new ATOM 0 HA ASN B 42 5.180 1.044 6.576 1.00 0.00 H new ATOM 0 HB2 ASN B 42 3.775 3.190 4.983 1.00 0.00 H new ATOM 0 HB3 ASN B 42 3.076 2.444 6.406 1.00 0.00 H new ATOM 0 HD21 ASN B 42 4.594 5.446 7.828 1.00 0.00 H new ATOM 0 HD22 ASN B 42 3.137 4.898 6.993 1.00 0.00 H new ATOM 1406 N ILE B 43 3.630 0.375 3.679 1.00 0.00 N ATOM 1407 CA ILE B 43 2.767 -0.592 2.982 1.00 0.00 C ATOM 1408 C ILE B 43 3.291 -1.988 3.317 1.00 0.00 C ATOM 1409 O ILE B 43 2.558 -2.839 3.827 1.00 0.00 O ATOM 1410 CB ILE B 43 2.688 -0.340 1.446 1.00 0.00 C ATOM 1411 CG1 ILE B 43 2.123 1.063 1.145 1.00 0.00 C ATOM 1412 CG2 ILE B 43 1.802 -1.394 0.778 1.00 0.00 C ATOM 1413 CD1 ILE B 43 2.049 1.465 -0.330 1.00 0.00 C ATOM 0 H ILE B 43 4.045 1.070 3.058 1.00 0.00 H new ATOM 0 HA ILE B 43 1.738 -0.481 3.325 1.00 0.00 H new ATOM 0 HB ILE B 43 3.700 -0.407 1.046 1.00 0.00 H new ATOM 0 HG12 ILE B 43 1.120 1.125 1.567 1.00 0.00 H new ATOM 0 HG13 ILE B 43 2.735 1.797 1.669 1.00 0.00 H new ATOM 0 HG21 ILE B 43 1.757 -1.205 -0.294 1.00 0.00 H new ATOM 0 HG22 ILE B 43 2.220 -2.385 0.954 1.00 0.00 H new ATOM 0 HG23 ILE B 43 0.797 -1.344 1.198 1.00 0.00 H new ATOM 0 HD11 ILE B 43 1.636 2.470 -0.413 1.00 0.00 H new ATOM 0 HD12 ILE B 43 3.049 1.447 -0.763 1.00 0.00 H new ATOM 0 HD13 ILE B 43 1.409 0.764 -0.866 1.00 0.00 H new ATOM 1425 N LEU B 44 4.582 -2.202 3.068 1.00 0.00 N ATOM 1426 CA LEU B 44 5.254 -3.454 3.328 1.00 0.00 C ATOM 1427 C LEU B 44 5.204 -3.826 4.811 1.00 0.00 C ATOM 1428 O LEU B 44 4.890 -4.970 5.114 1.00 0.00 O ATOM 1429 CB LEU B 44 6.702 -3.392 2.820 1.00 0.00 C ATOM 1430 CG LEU B 44 6.850 -3.227 1.295 1.00 0.00 C ATOM 1431 CD1 LEU B 44 8.333 -3.074 0.959 1.00 0.00 C ATOM 1432 CD2 LEU B 44 6.270 -4.407 0.510 1.00 0.00 C ATOM 0 H LEU B 44 5.194 -1.489 2.672 1.00 0.00 H new ATOM 0 HA LEU B 44 4.728 -4.239 2.785 1.00 0.00 H new ATOM 0 HB2 LEU B 44 7.208 -2.561 3.311 1.00 0.00 H new ATOM 0 HB3 LEU B 44 7.217 -4.303 3.124 1.00 0.00 H new ATOM 0 HG LEU B 44 6.286 -2.342 1.002 1.00 0.00 H new ATOM 0 HD11 LEU B 44 8.452 -2.956 -0.118 1.00 0.00 H new ATOM 0 HD12 LEU B 44 8.732 -2.196 1.466 1.00 0.00 H new ATOM 0 HD13 LEU B 44 8.874 -3.961 1.289 1.00 0.00 H new ATOM 0 HD21 LEU B 44 6.403 -4.234 -0.558 1.00 0.00 H new ATOM 0 HD22 LEU B 44 6.786 -5.323 0.797 1.00 0.00 H new ATOM 0 HD23 LEU B 44 5.207 -4.504 0.732 1.00 0.00 H new ATOM 1444 N ARG B 45 5.464 -2.910 5.751 1.00 0.00 N ATOM 1445 CA ARG B 45 5.432 -3.266 7.174 1.00 0.00 C ATOM 1446 C ARG B 45 4.034 -3.630 7.679 1.00 0.00 C ATOM 1447 O ARG B 45 3.921 -4.441 8.603 1.00 0.00 O ATOM 1448 CB ARG B 45 6.113 -2.185 8.033 1.00 0.00 C ATOM 1449 CG ARG B 45 6.195 -2.601 9.520 1.00 0.00 C ATOM 1450 CD ARG B 45 7.496 -2.199 10.227 1.00 0.00 C ATOM 1451 NE ARG B 45 8.646 -2.993 9.766 1.00 0.00 N ATOM 1452 CZ ARG B 45 8.940 -4.266 10.062 1.00 0.00 C ATOM 1453 NH1 ARG B 45 8.167 -5.000 10.855 1.00 0.00 N ATOM 1454 NH2 ARG B 45 10.039 -4.806 9.555 1.00 0.00 N ATOM 0 H ARG B 45 5.695 -1.935 5.558 1.00 0.00 H new ATOM 0 HA ARG B 45 6.014 -4.182 7.280 1.00 0.00 H new ATOM 0 HB2 ARG B 45 7.117 -1.997 7.652 1.00 0.00 H new ATOM 0 HB3 ARG B 45 5.559 -1.250 7.947 1.00 0.00 H new ATOM 0 HG2 ARG B 45 5.355 -2.157 10.054 1.00 0.00 H new ATOM 0 HG3 ARG B 45 6.080 -3.683 9.588 1.00 0.00 H new ATOM 0 HD2 ARG B 45 7.692 -1.142 10.050 1.00 0.00 H new ATOM 0 HD3 ARG B 45 7.377 -2.325 11.303 1.00 0.00 H new ATOM 0 HE ARG B 45 9.299 -2.516 9.145 1.00 0.00 H new ATOM 0 HH11 ARG B 45 7.321 -4.597 11.258 1.00 0.00 H new ATOM 0 HH12 ARG B 45 8.419 -5.967 11.061 1.00 0.00 H new ATOM 0 HH21 ARG B 45 10.646 -4.254 8.950 1.00 0.00 H new ATOM 0 HH22 ARG B 45 10.278 -5.774 9.770 1.00 0.00 H new ATOM 1468 N GLU B 46 2.965 -3.080 7.110 1.00 0.00 N ATOM 1469 CA GLU B 46 1.607 -3.371 7.561 1.00 0.00 C ATOM 1470 C GLU B 46 0.961 -4.556 6.847 1.00 0.00 C ATOM 1471 O GLU B 46 0.211 -5.301 7.485 1.00 0.00 O ATOM 1472 CB GLU B 46 0.754 -2.108 7.411 1.00 0.00 C ATOM 1473 CG GLU B 46 1.039 -1.076 8.518 1.00 0.00 C ATOM 1474 CD GLU B 46 0.491 -1.566 9.859 1.00 0.00 C ATOM 1475 OE1 GLU B 46 -0.722 -1.395 10.124 1.00 0.00 O ATOM 1476 OE2 GLU B 46 1.217 -2.254 10.614 1.00 0.00 O ATOM 0 H GLU B 46 3.014 -2.425 6.330 1.00 0.00 H new ATOM 0 HA GLU B 46 1.667 -3.668 8.608 1.00 0.00 H new ATOM 0 HB2 GLU B 46 0.946 -1.656 6.438 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -0.301 -2.380 7.434 1.00 0.00 H new ATOM 0 HG2 GLU B 46 2.113 -0.906 8.597 1.00 0.00 H new ATOM 0 HG3 GLU B 46 0.583 -0.120 8.259 1.00 0.00 H new ATOM 1483 N PHE B 47 1.202 -4.743 5.551 1.00 0.00 N ATOM 1484 CA PHE B 47 0.625 -5.843 4.785 1.00 0.00 C ATOM 1485 C PHE B 47 1.634 -6.982 4.682 1.00 0.00 C ATOM 1486 O PHE B 47 1.392 -8.058 5.234 1.00 0.00 O ATOM 1487 CB PHE B 47 0.143 -5.347 3.414 1.00 0.00 C ATOM 1488 CG PHE B 47 -1.149 -4.546 3.474 1.00 0.00 C ATOM 1489 CD1 PHE B 47 -1.131 -3.144 3.627 1.00 0.00 C ATOM 1490 CD2 PHE B 47 -2.384 -5.208 3.333 1.00 0.00 C ATOM 1491 CE1 PHE B 47 -2.335 -2.424 3.697 1.00 0.00 C ATOM 1492 CE2 PHE B 47 -3.589 -4.490 3.408 1.00 0.00 C ATOM 1493 CZ PHE B 47 -3.563 -3.100 3.598 1.00 0.00 C ATOM 0 H PHE B 47 1.806 -4.132 5.001 1.00 0.00 H new ATOM 0 HA PHE B 47 -0.253 -6.233 5.300 1.00 0.00 H new ATOM 0 HB2 PHE B 47 0.922 -4.730 2.966 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -0.002 -6.205 2.757 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -0.188 -2.622 3.691 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -2.405 -6.275 3.166 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -2.317 -1.352 3.827 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -4.533 -5.007 3.320 1.00 0.00 H new ATOM 0 HZ PHE B 47 -4.489 -2.548 3.668 1.00 0.00 H new ATOM 1503 N SER B 48 2.724 -6.745 3.952 1.00 0.00 N ATOM 1504 CA SER B 48 3.811 -7.687 3.724 1.00 0.00 C ATOM 1505 C SER B 48 4.525 -8.024 5.050 1.00 0.00 C ATOM 1506 O SER B 48 4.185 -7.539 6.138 1.00 0.00 O ATOM 1507 CB SER B 48 4.763 -7.056 2.682 1.00 0.00 C ATOM 1508 OG SER B 48 5.767 -7.933 2.216 1.00 0.00 O ATOM 0 H SER B 48 2.876 -5.851 3.485 1.00 0.00 H new ATOM 0 HA SER B 48 3.435 -8.634 3.337 1.00 0.00 H new ATOM 0 HB2 SER B 48 4.176 -6.708 1.832 1.00 0.00 H new ATOM 0 HB3 SER B 48 5.237 -6.179 3.122 1.00 0.00 H new ATOM 0 HG SER B 48 6.644 -7.618 2.520 1.00 0.00 H new