USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1017 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 26 HIS : +bothHN:sc= 0.45 K(o=0.91,f=-8.3!) USER MOD Set 1.2: B 11 GLN : amide:sc= 0.459 K(o=0.91,f=-0.97) USER MOD Set 1.3: B 14 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 70 LYS NZ :NH3+ -129:sc= 0.82 (180deg=-0.00614) USER MOD Set 2.2: B 55 GLN : amide:sc= -0.193 K(o=0.63,f=-4.1!) USER MOD Set 3.1: A 55 GLN : amide:sc= -0.218 K(o=1.3,f=-5.8!) USER MOD Set 3.2: B 70 LYS NZ :NH3+ 156:sc= 1.53 (180deg=1.06) USER MOD Single : A 8 SER OG : rot 32:sc= 0.0761 USER MOD Single : A 9 ASN : amide:sc= 1.1 K(o=1.1,f=-0.055) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0645 USER MOD Single : A 11 GLN : amide:sc= -5.86! C(o=-5.9!,f=-5.4!) USER MOD Single : A 14 SER OG : rot -91:sc= 1.24 USER MOD Single : A 25 LYS NZ :NH3+ -151:sc= 1.07 (180deg=-0.372!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00145 USER MOD Single : A 33 SER OG : rot 71:sc= 1.03 USER MOD Single : A 35 MET CE :methyl 162:sc= -0.156 (180deg=-0.611) USER MOD Single : A 39 ASN : amide:sc= -1 X(o=-1,f=-0.89) USER MOD Single : A 40 CYS SG : rot 72:sc= 1.12 USER MOD Single : A 42 THR OG1 : rot 91:sc= -0.577! USER MOD Single : A 43 HIS : no HE2:sc= -6.73! C(o=-6.7!,f=-12!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0183 USER MOD Single : A 53 SER OG : rot -41:sc= 0.011 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN :FLIP amide:sc= -0.435 F(o=-3.7!,f=-0.43) USER MOD Single : A 68 SER OG : rot 80:sc= 1.26 USER MOD Single : B 8 SER OG : rot 33:sc= 0.0886 USER MOD Single : B 9 ASN : amide:sc= -0.0869 K(o=-0.087,f=-1.2!) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 LYS NZ :NH3+ -166:sc= 0.428 (180deg=0.332) USER MOD Single : B 26 HIS : no HD1:sc= 1.2 K(o=1.2,f=-5.5!) USER MOD Single : B 27 LYS NZ :NH3+ -171:sc= -1.06! (180deg=-1.82!) USER MOD Single : B 30 THR OG1 : rot 160:sc= -0.157 USER MOD Single : B 33 SER OG : rot -77:sc= 0.977 USER MOD Single : B 35 MET CE :methyl 163:sc= -0.071 (180deg=-0.455) USER MOD Single : B 39 ASN : amide:sc= 1.17 K(o=1.2,f=-0.015) USER MOD Single : B 40 CYS SG : rot 58:sc= 0.405 USER MOD Single : B 42 THR OG1 : rot 84:sc= 1.15 USER MOD Single : B 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 SER OG : rot 180:sc= -0.013 USER MOD Single : B 53 SER OG : rot 180:sc= -0.13 USER MOD Single : B 60 GLN : amide:sc= 0.0518 X(o=0.052,f=0) USER MOD Single : B 63 LYS NZ :NH3+ -159:sc= 1.09 (180deg=0.165) USER MOD Single : B 67 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : B 68 SER OG : rot -86:sc= 0.96 USER MOD Single : B 71 SER OG : rot 84:sc= 0.884 USER MOD ----------------------------------------------------------------- ATOM 120 N SER A 8 -2.687 19.864 -3.126 1.00 0.00 N ATOM 121 CA SER A 8 -1.505 20.653 -2.823 1.00 0.00 C ATOM 122 C SER A 8 -0.411 19.748 -2.267 1.00 0.00 C ATOM 123 O SER A 8 -0.681 18.854 -1.461 1.00 0.00 O ATOM 124 CB SER A 8 -1.846 21.767 -1.830 1.00 0.00 C ATOM 125 OG SER A 8 -2.849 22.621 -2.360 1.00 0.00 O ATOM 0 HA SER A 8 -1.142 21.118 -3.739 1.00 0.00 H new ATOM 0 HB2 SER A 8 -2.190 21.332 -0.892 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.951 22.346 -1.604 1.00 0.00 H new ATOM 0 HG SER A 8 -3.443 22.105 -2.944 1.00 0.00 H new ATOM 131 N ASN A 9 0.821 19.978 -2.711 1.00 0.00 N ATOM 132 CA ASN A 9 1.954 19.129 -2.344 1.00 0.00 C ATOM 133 C ASN A 9 2.145 19.061 -0.835 1.00 0.00 C ATOM 134 O ASN A 9 2.438 17.998 -0.293 1.00 0.00 O ATOM 135 CB ASN A 9 3.243 19.629 -3.012 1.00 0.00 C ATOM 136 CG ASN A 9 4.493 18.996 -2.420 1.00 0.00 C ATOM 137 OD1 ASN A 9 5.123 19.561 -1.524 1.00 0.00 O ATOM 138 ND2 ASN A 9 4.855 17.819 -2.908 1.00 0.00 N ATOM 0 H ASN A 9 1.063 20.751 -3.331 1.00 0.00 H new ATOM 0 HA ASN A 9 1.732 18.123 -2.700 1.00 0.00 H new ATOM 0 HB2 ASN A 9 3.202 19.413 -4.080 1.00 0.00 H new ATOM 0 HB3 ASN A 9 3.305 20.712 -2.908 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.682 17.348 -2.542 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.307 17.384 -3.650 1.00 0.00 H new ATOM 145 N THR A 10 1.957 20.192 -0.167 1.00 0.00 N ATOM 146 CA THR A 10 2.177 20.286 1.269 1.00 0.00 C ATOM 147 C THR A 10 1.361 19.244 2.037 1.00 0.00 C ATOM 148 O THR A 10 1.848 18.651 3.003 1.00 0.00 O ATOM 149 CB THR A 10 1.814 21.690 1.771 1.00 0.00 C ATOM 150 OG1 THR A 10 2.181 22.662 0.782 1.00 0.00 O ATOM 151 CG2 THR A 10 2.529 21.996 3.076 1.00 0.00 C ATOM 0 H THR A 10 1.650 21.062 -0.601 1.00 0.00 H new ATOM 0 HA THR A 10 3.234 20.092 1.450 1.00 0.00 H new ATOM 0 HB THR A 10 0.739 21.730 1.947 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.948 23.558 1.102 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.257 22.996 3.414 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.237 21.266 3.831 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.607 21.946 2.921 1.00 0.00 H new ATOM 159 N GLN A 11 0.130 19.012 1.589 1.00 0.00 N ATOM 160 CA GLN A 11 -0.746 18.039 2.230 1.00 0.00 C ATOM 161 C GLN A 11 -0.200 16.634 2.018 1.00 0.00 C ATOM 162 O GLN A 11 0.075 15.913 2.976 1.00 0.00 O ATOM 163 CB GLN A 11 -2.175 18.150 1.665 1.00 0.00 C ATOM 164 CG GLN A 11 -3.251 17.474 2.516 1.00 0.00 C ATOM 165 CD GLN A 11 -3.195 15.957 2.489 1.00 0.00 C ATOM 166 OE1 GLN A 11 -2.816 15.350 1.491 1.00 0.00 O ATOM 167 NE2 GLN A 11 -3.579 15.334 3.591 1.00 0.00 N ATOM 0 H GLN A 11 -0.282 19.485 0.785 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.782 18.246 3.299 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.427 19.205 1.555 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.192 17.712 0.667 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.151 17.813 3.547 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.232 17.798 2.168 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.888 15.873 4.400 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.566 14.315 3.631 1.00 0.00 H new ATOM 176 N VAL A 12 -0.032 16.267 0.755 1.00 0.00 N ATOM 177 CA VAL A 12 0.386 14.921 0.390 1.00 0.00 C ATOM 178 C VAL A 12 1.748 14.586 0.992 1.00 0.00 C ATOM 179 O VAL A 12 1.937 13.506 1.554 1.00 0.00 O ATOM 180 CB VAL A 12 0.452 14.749 -1.145 1.00 0.00 C ATOM 181 CG1 VAL A 12 0.764 13.307 -1.516 1.00 0.00 C ATOM 182 CG2 VAL A 12 -0.849 15.198 -1.795 1.00 0.00 C ATOM 0 H VAL A 12 -0.180 16.889 -0.040 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.361 14.236 0.791 1.00 0.00 H new ATOM 0 HB VAL A 12 1.258 15.380 -1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.805 13.211 -2.601 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.726 13.022 -1.090 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.015 12.654 -1.123 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.780 15.068 -2.875 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.674 14.599 -1.410 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.026 16.249 -1.567 1.00 0.00 H new ATOM 192 N GLU A 13 2.679 15.529 0.895 1.00 0.00 N ATOM 193 CA GLU A 13 4.047 15.313 1.351 1.00 0.00 C ATOM 194 C GLU A 13 4.084 15.042 2.857 1.00 0.00 C ATOM 195 O GLU A 13 4.723 14.091 3.312 1.00 0.00 O ATOM 196 CB GLU A 13 4.913 16.529 1.021 1.00 0.00 C ATOM 197 CG GLU A 13 6.377 16.194 0.782 1.00 0.00 C ATOM 198 CD GLU A 13 6.605 15.502 -0.549 1.00 0.00 C ATOM 199 OE1 GLU A 13 6.714 16.205 -1.578 1.00 0.00 O ATOM 200 OE2 GLU A 13 6.682 14.256 -0.573 1.00 0.00 O ATOM 0 H GLU A 13 2.509 16.455 0.502 1.00 0.00 H new ATOM 0 HA GLU A 13 4.443 14.440 0.832 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.512 17.018 0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.843 17.246 1.839 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.966 17.110 0.817 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.736 15.553 1.587 1.00 0.00 H new ATOM 207 N SER A 14 3.382 15.872 3.626 1.00 0.00 N ATOM 208 CA SER A 14 3.364 15.726 5.076 1.00 0.00 C ATOM 209 C SER A 14 2.576 14.482 5.478 1.00 0.00 C ATOM 210 O SER A 14 2.915 13.808 6.453 1.00 0.00 O ATOM 211 CB SER A 14 2.767 16.974 5.734 1.00 0.00 C ATOM 212 OG SER A 14 1.463 17.241 5.243 1.00 0.00 O ATOM 0 H SER A 14 2.822 16.647 3.270 1.00 0.00 H new ATOM 0 HA SER A 14 4.391 15.611 5.423 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.730 16.836 6.815 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.412 17.832 5.544 1.00 0.00 H new ATOM 0 HG SER A 14 1.521 17.840 4.470 1.00 0.00 H new ATOM 218 N LEU A 15 1.530 14.180 4.715 1.00 0.00 N ATOM 219 CA LEU A 15 0.734 12.986 4.947 1.00 0.00 C ATOM 220 C LEU A 15 1.602 11.742 4.802 1.00 0.00 C ATOM 221 O LEU A 15 1.668 10.920 5.715 1.00 0.00 O ATOM 222 CB LEU A 15 -0.451 12.935 3.975 1.00 0.00 C ATOM 223 CG LEU A 15 -1.404 11.747 4.149 1.00 0.00 C ATOM 224 CD1 LEU A 15 -1.958 11.696 5.565 1.00 0.00 C ATOM 225 CD2 LEU A 15 -2.538 11.830 3.138 1.00 0.00 C ATOM 0 H LEU A 15 1.216 14.749 3.929 1.00 0.00 H new ATOM 0 HA LEU A 15 0.340 13.018 5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.025 13.856 4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.062 12.918 2.957 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.842 10.830 3.973 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.631 10.844 5.662 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.136 11.592 6.274 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.504 12.616 5.775 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.208 10.981 3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.092 12.756 3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.127 11.813 2.128 1.00 0.00 H new ATOM 237 N ILE A 16 2.291 11.634 3.666 1.00 0.00 N ATOM 238 CA ILE A 16 3.198 10.517 3.401 1.00 0.00 C ATOM 239 C ILE A 16 4.238 10.386 4.509 1.00 0.00 C ATOM 240 O ILE A 16 4.492 9.291 5.015 1.00 0.00 O ATOM 241 CB ILE A 16 3.925 10.701 2.048 1.00 0.00 C ATOM 242 CG1 ILE A 16 2.921 10.672 0.896 1.00 0.00 C ATOM 243 CG2 ILE A 16 4.996 9.632 1.851 1.00 0.00 C ATOM 244 CD1 ILE A 16 3.530 11.020 -0.447 1.00 0.00 C ATOM 0 H ILE A 16 2.237 12.314 2.908 1.00 0.00 H new ATOM 0 HA ILE A 16 2.593 9.611 3.364 1.00 0.00 H new ATOM 0 HB ILE A 16 4.418 11.673 2.058 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.476 9.679 0.838 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.113 11.371 1.111 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.491 9.785 0.892 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.730 9.700 2.654 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.533 8.646 1.866 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.760 10.979 -1.217 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.950 12.025 -0.407 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.319 10.306 -0.685 1.00 0.00 H new ATOM 256 N ALA A 17 4.820 11.520 4.883 1.00 0.00 N ATOM 257 CA ALA A 17 5.856 11.554 5.905 1.00 0.00 C ATOM 258 C ALA A 17 5.376 10.937 7.214 1.00 0.00 C ATOM 259 O ALA A 17 6.076 10.119 7.809 1.00 0.00 O ATOM 260 CB ALA A 17 6.330 12.982 6.134 1.00 0.00 C ATOM 0 H ALA A 17 4.589 12.432 4.490 1.00 0.00 H new ATOM 0 HA ALA A 17 6.694 10.956 5.545 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.104 12.990 6.901 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.735 13.384 5.205 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.491 13.596 6.460 1.00 0.00 H new ATOM 266 N GLU A 18 4.175 11.307 7.650 1.00 0.00 N ATOM 267 CA GLU A 18 3.661 10.827 8.927 1.00 0.00 C ATOM 268 C GLU A 18 3.329 9.338 8.891 1.00 0.00 C ATOM 269 O GLU A 18 3.442 8.659 9.912 1.00 0.00 O ATOM 270 CB GLU A 18 2.442 11.629 9.378 1.00 0.00 C ATOM 271 CG GLU A 18 2.767 13.060 9.776 1.00 0.00 C ATOM 272 CD GLU A 18 1.842 13.583 10.855 1.00 0.00 C ATOM 273 OE1 GLU A 18 2.123 13.337 12.047 1.00 0.00 O ATOM 274 OE2 GLU A 18 0.832 14.236 10.526 1.00 0.00 O ATOM 0 H GLU A 18 3.546 11.931 7.144 1.00 0.00 H new ATOM 0 HA GLU A 18 4.459 10.973 9.655 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.708 11.643 8.572 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.977 11.122 10.224 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.797 13.111 10.128 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.698 13.703 8.899 1.00 0.00 H new ATOM 281 N ILE A 19 2.927 8.827 7.728 1.00 0.00 N ATOM 282 CA ILE A 19 2.667 7.393 7.586 1.00 0.00 C ATOM 283 C ILE A 19 3.961 6.623 7.854 1.00 0.00 C ATOM 284 O ILE A 19 3.986 5.629 8.595 1.00 0.00 O ATOM 285 CB ILE A 19 2.155 7.018 6.171 1.00 0.00 C ATOM 286 CG1 ILE A 19 1.094 8.006 5.669 1.00 0.00 C ATOM 287 CG2 ILE A 19 1.579 5.608 6.182 1.00 0.00 C ATOM 288 CD1 ILE A 19 -0.253 7.872 6.347 1.00 0.00 C ATOM 0 H ILE A 19 2.776 9.375 6.881 1.00 0.00 H new ATOM 0 HA ILE A 19 1.890 7.131 8.304 1.00 0.00 H new ATOM 0 HB ILE A 19 3.005 7.064 5.490 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.462 9.022 5.816 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.963 7.866 4.596 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.222 5.353 5.184 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.353 4.901 6.482 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.750 5.559 6.888 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.943 8.607 5.933 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.647 6.870 6.179 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.140 8.043 7.418 1.00 0.00 H new ATOM 300 N LEU A 20 5.041 7.119 7.262 1.00 0.00 N ATOM 301 CA LEU A 20 6.358 6.524 7.430 1.00 0.00 C ATOM 302 C LEU A 20 6.828 6.659 8.874 1.00 0.00 C ATOM 303 O LEU A 20 7.485 5.764 9.408 1.00 0.00 O ATOM 304 CB LEU A 20 7.360 7.190 6.485 1.00 0.00 C ATOM 305 CG LEU A 20 6.991 7.132 4.999 1.00 0.00 C ATOM 306 CD1 LEU A 20 8.032 7.852 4.157 1.00 0.00 C ATOM 307 CD2 LEU A 20 6.847 5.688 4.542 1.00 0.00 C ATOM 0 H LEU A 20 5.028 7.940 6.656 1.00 0.00 H new ATOM 0 HA LEU A 20 6.292 5.464 7.187 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.470 8.235 6.775 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.333 6.717 6.620 1.00 0.00 H new ATOM 0 HG LEU A 20 6.034 7.636 4.866 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.750 7.798 3.105 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.090 8.896 4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.004 7.378 4.297 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.585 5.666 3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.790 5.163 4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.063 5.200 5.121 1.00 0.00 H new ATOM 319 N VAL A 21 6.480 7.783 9.505 1.00 0.00 N ATOM 320 CA VAL A 21 6.815 8.012 10.907 1.00 0.00 C ATOM 321 C VAL A 21 6.235 6.907 11.789 1.00 0.00 C ATOM 322 O VAL A 21 6.898 6.427 12.703 1.00 0.00 O ATOM 323 CB VAL A 21 6.317 9.390 11.409 1.00 0.00 C ATOM 324 CG1 VAL A 21 6.513 9.530 12.915 1.00 0.00 C ATOM 325 CG2 VAL A 21 7.038 10.515 10.683 1.00 0.00 C ATOM 0 H VAL A 21 5.967 8.547 9.065 1.00 0.00 H new ATOM 0 HA VAL A 21 7.903 8.001 10.976 1.00 0.00 H new ATOM 0 HB VAL A 21 5.250 9.457 11.194 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.155 10.507 13.239 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.953 8.749 13.429 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.572 9.434 13.155 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.675 11.475 11.049 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.110 10.438 10.866 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.847 10.439 9.613 1.00 0.00 H new ATOM 335 N VAL A 22 5.004 6.496 11.498 1.00 0.00 N ATOM 336 CA VAL A 22 4.366 5.419 12.250 1.00 0.00 C ATOM 337 C VAL A 22 5.162 4.125 12.115 1.00 0.00 C ATOM 338 O VAL A 22 5.552 3.517 13.116 1.00 0.00 O ATOM 339 CB VAL A 22 2.916 5.175 11.782 1.00 0.00 C ATOM 340 CG1 VAL A 22 2.292 4.010 12.540 1.00 0.00 C ATOM 341 CG2 VAL A 22 2.079 6.431 11.956 1.00 0.00 C ATOM 0 H VAL A 22 4.431 6.889 10.752 1.00 0.00 H new ATOM 0 HA VAL A 22 4.344 5.729 13.295 1.00 0.00 H new ATOM 0 HB VAL A 22 2.940 4.920 10.722 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.270 3.856 12.194 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.875 3.106 12.362 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.284 4.233 13.607 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.060 6.239 11.620 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.067 6.717 13.008 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.509 7.240 11.365 1.00 0.00 H new ATOM 351 N LEU A 23 5.410 3.719 10.874 1.00 0.00 N ATOM 352 CA LEU A 23 6.184 2.505 10.602 1.00 0.00 C ATOM 353 C LEU A 23 7.562 2.550 11.266 1.00 0.00 C ATOM 354 O LEU A 23 7.995 1.574 11.884 1.00 0.00 O ATOM 355 CB LEU A 23 6.337 2.309 9.090 1.00 0.00 C ATOM 356 CG LEU A 23 5.027 2.110 8.322 1.00 0.00 C ATOM 357 CD1 LEU A 23 5.289 2.061 6.825 1.00 0.00 C ATOM 358 CD2 LEU A 23 4.329 0.839 8.779 1.00 0.00 C ATOM 0 H LEU A 23 5.088 4.209 10.039 1.00 0.00 H new ATOM 0 HA LEU A 23 5.639 1.662 11.026 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.853 3.176 8.678 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.977 1.444 8.915 1.00 0.00 H new ATOM 0 HG LEU A 23 4.374 2.957 8.531 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.347 1.919 6.295 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.748 2.997 6.505 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.960 1.232 6.600 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.400 0.714 8.223 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.978 -0.018 8.599 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.107 0.908 9.844 1.00 0.00 H new ATOM 370 N GLU A 24 8.237 3.687 11.154 1.00 0.00 N ATOM 371 CA GLU A 24 9.582 3.839 11.695 1.00 0.00 C ATOM 372 C GLU A 24 9.560 3.914 13.226 1.00 0.00 C ATOM 373 O GLU A 24 10.484 3.445 13.889 1.00 0.00 O ATOM 374 CB GLU A 24 10.245 5.088 11.100 1.00 0.00 C ATOM 375 CG GLU A 24 11.698 5.283 11.508 1.00 0.00 C ATOM 376 CD GLU A 24 12.585 4.104 11.147 1.00 0.00 C ATOM 377 OE1 GLU A 24 12.692 3.773 9.947 1.00 0.00 O ATOM 378 OE2 GLU A 24 13.201 3.518 12.063 1.00 0.00 O ATOM 0 H GLU A 24 7.874 4.520 10.692 1.00 0.00 H new ATOM 0 HA GLU A 24 10.166 2.961 11.418 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.190 5.031 10.013 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.674 5.966 11.402 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.086 6.181 11.028 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.747 5.450 12.584 1.00 0.00 H new ATOM 385 N LYS A 25 8.496 4.482 13.787 1.00 0.00 N ATOM 386 CA LYS A 25 8.373 4.603 15.240 1.00 0.00 C ATOM 387 C LYS A 25 8.214 3.225 15.882 1.00 0.00 C ATOM 388 O LYS A 25 8.677 2.988 16.997 1.00 0.00 O ATOM 389 CB LYS A 25 7.189 5.498 15.617 1.00 0.00 C ATOM 390 CG LYS A 25 7.135 5.848 17.096 1.00 0.00 C ATOM 391 CD LYS A 25 5.953 6.748 17.424 1.00 0.00 C ATOM 392 CE LYS A 25 4.627 6.028 17.230 1.00 0.00 C ATOM 393 NZ LYS A 25 3.464 6.906 17.530 1.00 0.00 N ATOM 0 H LYS A 25 7.709 4.864 13.262 1.00 0.00 H new ATOM 0 HA LYS A 25 9.286 5.063 15.616 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.241 6.419 15.036 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.262 4.997 15.337 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.068 4.932 17.683 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.061 6.345 17.385 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.033 7.092 18.455 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.983 7.634 16.789 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.556 5.671 16.203 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.594 5.150 17.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.669 6.326 17.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.727 7.592 18.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.182 7.415 16.668 1.00 0.00 H new ATOM 407 N HIS A 26 7.565 2.313 15.165 1.00 0.00 N ATOM 408 CA HIS A 26 7.421 0.939 15.636 1.00 0.00 C ATOM 409 C HIS A 26 8.613 0.107 15.194 1.00 0.00 C ATOM 410 O HIS A 26 8.680 -1.087 15.485 1.00 0.00 O ATOM 411 CB HIS A 26 6.135 0.295 15.105 1.00 0.00 C ATOM 412 CG HIS A 26 4.879 0.876 15.673 1.00 0.00 C ATOM 413 ND1 HIS A 26 4.073 0.204 16.572 1.00 0.00 N ATOM 414 CD2 HIS A 26 4.270 2.061 15.440 1.00 0.00 C ATOM 415 CE1 HIS A 26 3.032 0.960 16.871 1.00 0.00 C ATOM 416 NE2 HIS A 26 3.131 2.089 16.195 1.00 0.00 N ATOM 0 H HIS A 26 7.132 2.499 14.260 1.00 0.00 H new ATOM 0 HA HIS A 26 7.371 0.969 16.724 1.00 0.00 H new ATOM 0 HB2 HIS A 26 6.111 0.398 14.020 1.00 0.00 H new ATOM 0 HB3 HIS A 26 6.159 -0.773 15.323 1.00 0.00 H new ATOM 0 HD1 HIS A 26 4.253 -0.728 16.945 1.00 0.00 H new ATOM 0 HD2 HIS A 26 4.619 2.841 14.779 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.236 0.699 17.552 1.00 0.00 H new ATOM 0 HE2 HIS A 26 2.464 2.860 16.230 1.00 0.00 H new ATOM 425 N LYS A 27 9.539 0.765 14.480 1.00 0.00 N ATOM 426 CA LYS A 27 10.734 0.133 13.903 1.00 0.00 C ATOM 427 C LYS A 27 10.387 -1.195 13.242 1.00 0.00 C ATOM 428 O LYS A 27 11.035 -2.221 13.470 1.00 0.00 O ATOM 429 CB LYS A 27 11.878 -0.033 14.928 1.00 0.00 C ATOM 430 CG LYS A 27 11.528 -0.837 16.172 1.00 0.00 C ATOM 431 CD LYS A 27 12.775 -1.297 16.905 1.00 0.00 C ATOM 432 CE LYS A 27 13.523 -2.355 16.108 1.00 0.00 C ATOM 433 NZ LYS A 27 14.765 -2.791 16.792 1.00 0.00 N ATOM 0 H LYS A 27 9.477 1.764 14.285 1.00 0.00 H new ATOM 0 HA LYS A 27 11.105 0.811 13.135 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.721 -0.513 14.431 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.212 0.957 15.238 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.916 -0.230 16.839 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.930 -1.703 15.890 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.429 -0.444 17.086 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.499 -1.700 17.880 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.874 -3.217 15.951 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.771 -1.959 15.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.244 -3.512 16.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.396 -1.974 16.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.527 -3.193 17.721 1.00 0.00 H new ATOM 447 N ALA A 28 9.359 -1.160 12.412 1.00 0.00 N ATOM 448 CA ALA A 28 8.892 -2.345 11.722 1.00 0.00 C ATOM 449 C ALA A 28 9.882 -2.766 10.643 1.00 0.00 C ATOM 450 O ALA A 28 10.372 -1.934 9.876 1.00 0.00 O ATOM 451 CB ALA A 28 7.519 -2.095 11.121 1.00 0.00 C ATOM 0 H ALA A 28 8.829 -0.315 12.200 1.00 0.00 H new ATOM 0 HA ALA A 28 8.813 -3.158 12.444 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.179 -2.993 10.605 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.815 -1.843 11.914 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.577 -1.269 10.412 1.00 0.00 H new ATOM 457 N PRO A 29 10.225 -4.061 10.601 1.00 0.00 N ATOM 458 CA PRO A 29 11.056 -4.618 9.535 1.00 0.00 C ATOM 459 C PRO A 29 10.432 -4.372 8.165 1.00 0.00 C ATOM 460 O PRO A 29 9.236 -4.079 8.062 1.00 0.00 O ATOM 461 CB PRO A 29 11.099 -6.116 9.851 1.00 0.00 C ATOM 462 CG PRO A 29 10.796 -6.208 11.307 1.00 0.00 C ATOM 463 CD PRO A 29 9.850 -5.078 11.599 1.00 0.00 C ATOM 0 HA PRO A 29 12.046 -4.164 9.496 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.367 -6.666 9.259 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.077 -6.540 9.623 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.345 -7.169 11.553 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.705 -6.121 11.902 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.810 -5.385 11.490 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.968 -4.706 12.617 1.00 0.00 H new ATOM 471 N THR A 30 11.235 -4.491 7.123 1.00 0.00 N ATOM 472 CA THR A 30 10.787 -4.215 5.766 1.00 0.00 C ATOM 473 C THR A 30 9.548 -5.042 5.413 1.00 0.00 C ATOM 474 O THR A 30 8.568 -4.519 4.886 1.00 0.00 O ATOM 475 CB THR A 30 11.914 -4.513 4.760 1.00 0.00 C ATOM 476 OG1 THR A 30 13.140 -3.926 5.224 1.00 0.00 O ATOM 477 CG2 THR A 30 11.577 -3.965 3.381 1.00 0.00 C ATOM 0 H THR A 30 12.211 -4.780 7.190 1.00 0.00 H new ATOM 0 HA THR A 30 10.523 -3.159 5.711 1.00 0.00 H new ATOM 0 HB THR A 30 12.026 -5.594 4.681 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.857 -4.118 4.584 1.00 0.00 H new ATOM 0 HG21 THR A 30 12.390 -4.190 2.691 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.658 -4.427 3.021 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.441 -2.885 3.442 1.00 0.00 H new ATOM 485 N ASP A 31 9.586 -6.323 5.757 1.00 0.00 N ATOM 486 CA ASP A 31 8.496 -7.241 5.450 1.00 0.00 C ATOM 487 C ASP A 31 7.258 -6.943 6.297 1.00 0.00 C ATOM 488 O ASP A 31 6.129 -7.112 5.837 1.00 0.00 O ATOM 489 CB ASP A 31 8.952 -8.688 5.661 1.00 0.00 C ATOM 490 CG ASP A 31 9.410 -8.964 7.080 1.00 0.00 C ATOM 491 OD1 ASP A 31 10.362 -8.302 7.548 1.00 0.00 O ATOM 492 OD2 ASP A 31 8.822 -9.842 7.735 1.00 0.00 O ATOM 0 H ASP A 31 10.367 -6.753 6.253 1.00 0.00 H new ATOM 0 HA ASP A 31 8.223 -7.102 4.404 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.132 -9.361 5.412 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.767 -8.910 4.972 1.00 0.00 H new ATOM 497 N LEU A 32 7.469 -6.479 7.524 1.00 0.00 N ATOM 498 CA LEU A 32 6.360 -6.132 8.409 1.00 0.00 C ATOM 499 C LEU A 32 5.706 -4.827 7.967 1.00 0.00 C ATOM 500 O LEU A 32 4.479 -4.694 7.995 1.00 0.00 O ATOM 501 CB LEU A 32 6.841 -6.020 9.861 1.00 0.00 C ATOM 502 CG LEU A 32 5.783 -5.549 10.868 1.00 0.00 C ATOM 503 CD1 LEU A 32 4.568 -6.462 10.847 1.00 0.00 C ATOM 504 CD2 LEU A 32 6.369 -5.487 12.269 1.00 0.00 C ATOM 0 H LEU A 32 8.394 -6.334 7.929 1.00 0.00 H new ATOM 0 HA LEU A 32 5.618 -6.928 8.350 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.213 -6.994 10.179 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.684 -5.330 9.895 1.00 0.00 H new ATOM 0 HG LEU A 32 5.465 -4.548 10.577 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.833 -6.107 11.569 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.128 -6.459 9.850 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.871 -7.476 11.107 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.604 -5.151 12.969 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.719 -6.477 12.561 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.205 -4.788 12.283 1.00 0.00 H new ATOM 516 N SER A 33 6.529 -3.872 7.553 1.00 0.00 N ATOM 517 CA SER A 33 6.036 -2.588 7.075 1.00 0.00 C ATOM 518 C SER A 33 5.135 -2.789 5.862 1.00 0.00 C ATOM 519 O SER A 33 4.045 -2.224 5.784 1.00 0.00 O ATOM 520 CB SER A 33 7.210 -1.674 6.715 1.00 0.00 C ATOM 521 OG SER A 33 8.095 -1.524 7.813 1.00 0.00 O ATOM 0 H SER A 33 7.545 -3.964 7.539 1.00 0.00 H new ATOM 0 HA SER A 33 5.455 -2.118 7.868 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.749 -2.088 5.863 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.834 -0.697 6.410 1.00 0.00 H new ATOM 0 HG SER A 33 8.584 -2.361 7.955 1.00 0.00 H new ATOM 527 N LEU A 34 5.590 -3.626 4.934 1.00 0.00 N ATOM 528 CA LEU A 34 4.830 -3.929 3.728 1.00 0.00 C ATOM 529 C LEU A 34 3.513 -4.615 4.073 1.00 0.00 C ATOM 530 O LEU A 34 2.490 -4.355 3.444 1.00 0.00 O ATOM 531 CB LEU A 34 5.653 -4.820 2.798 1.00 0.00 C ATOM 532 CG LEU A 34 6.950 -4.194 2.283 1.00 0.00 C ATOM 533 CD1 LEU A 34 7.793 -5.234 1.565 1.00 0.00 C ATOM 534 CD2 LEU A 34 6.646 -3.022 1.360 1.00 0.00 C ATOM 0 H LEU A 34 6.487 -4.108 4.996 1.00 0.00 H new ATOM 0 HA LEU A 34 4.607 -2.990 3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.897 -5.742 3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.036 -5.095 1.943 1.00 0.00 H new ATOM 0 HG LEU A 34 7.517 -3.821 3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.712 -4.772 1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.039 -6.042 2.254 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.234 -5.636 0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.580 -2.588 1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.059 -3.371 0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.081 -2.266 1.905 1.00 0.00 H new ATOM 546 N MET A 35 3.545 -5.480 5.081 1.00 0.00 N ATOM 547 CA MET A 35 2.352 -6.195 5.517 1.00 0.00 C ATOM 548 C MET A 35 1.279 -5.221 5.995 1.00 0.00 C ATOM 549 O MET A 35 0.193 -5.160 5.423 1.00 0.00 O ATOM 550 CB MET A 35 2.697 -7.186 6.631 1.00 0.00 C ATOM 551 CG MET A 35 1.492 -7.950 7.165 1.00 0.00 C ATOM 552 SD MET A 35 0.692 -8.975 5.912 1.00 0.00 S ATOM 553 CE MET A 35 2.026 -10.093 5.485 1.00 0.00 C ATOM 0 H MET A 35 4.387 -5.703 5.612 1.00 0.00 H new ATOM 0 HA MET A 35 1.960 -6.748 4.664 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.431 -7.899 6.256 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.167 -6.646 7.453 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.808 -8.582 7.995 1.00 0.00 H new ATOM 0 HG3 MET A 35 0.767 -7.240 7.563 1.00 0.00 H new ATOM 0 HE1 MET A 35 1.619 -10.968 4.979 1.00 0.00 H new ATOM 0 HE2 MET A 35 2.729 -9.585 4.824 1.00 0.00 H new ATOM 0 HE3 MET A 35 2.543 -10.406 6.392 1.00 0.00 H new ATOM 563 N ALA A 36 1.604 -4.439 7.021 1.00 0.00 N ATOM 564 CA ALA A 36 0.642 -3.511 7.617 1.00 0.00 C ATOM 565 C ALA A 36 0.167 -2.478 6.600 1.00 0.00 C ATOM 566 O ALA A 36 -0.999 -2.080 6.595 1.00 0.00 O ATOM 567 CB ALA A 36 1.259 -2.820 8.823 1.00 0.00 C ATOM 0 H ALA A 36 2.525 -4.428 7.458 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.226 -4.085 7.941 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.534 -2.132 9.258 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.542 -3.567 9.565 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.144 -2.265 8.511 1.00 0.00 H new ATOM 573 N LEU A 37 1.080 -2.056 5.741 1.00 0.00 N ATOM 574 CA LEU A 37 0.776 -1.108 4.679 1.00 0.00 C ATOM 575 C LEU A 37 -0.178 -1.733 3.669 1.00 0.00 C ATOM 576 O LEU A 37 -1.189 -1.131 3.308 1.00 0.00 O ATOM 577 CB LEU A 37 2.084 -0.694 4.013 1.00 0.00 C ATOM 578 CG LEU A 37 2.027 0.392 2.939 1.00 0.00 C ATOM 579 CD1 LEU A 37 1.135 1.550 3.347 1.00 0.00 C ATOM 580 CD2 LEU A 37 3.436 0.895 2.672 1.00 0.00 C ATOM 0 H LEU A 37 2.053 -2.360 5.759 1.00 0.00 H new ATOM 0 HA LEU A 37 0.285 -0.227 5.092 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.765 -0.356 4.794 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.528 -1.584 3.566 1.00 0.00 H new ATOM 0 HG LEU A 37 1.599 -0.043 2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.124 2.298 2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.122 1.186 3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.518 1.999 4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.407 1.671 1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.855 1.307 3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.058 0.069 2.328 1.00 0.00 H new ATOM 592 N GLY A 38 0.138 -2.952 3.239 1.00 0.00 N ATOM 593 CA GLY A 38 -0.732 -3.681 2.336 1.00 0.00 C ATOM 594 C GLY A 38 -2.099 -3.905 2.938 1.00 0.00 C ATOM 595 O GLY A 38 -3.114 -3.800 2.249 1.00 0.00 O ATOM 0 H GLY A 38 0.988 -3.450 3.503 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.832 -3.129 1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.280 -4.642 2.092 1.00 0.00 H new ATOM 599 N ASN A 39 -2.124 -4.205 4.230 1.00 0.00 N ATOM 600 CA ASN A 39 -3.377 -4.332 4.960 1.00 0.00 C ATOM 601 C ASN A 39 -4.158 -3.032 4.876 1.00 0.00 C ATOM 602 O ASN A 39 -5.330 -3.027 4.520 1.00 0.00 O ATOM 603 CB ASN A 39 -3.135 -4.673 6.431 1.00 0.00 C ATOM 604 CG ASN A 39 -2.452 -6.014 6.646 1.00 0.00 C ATOM 605 OD1 ASN A 39 -1.712 -6.196 7.612 1.00 0.00 O ATOM 606 ND2 ASN A 39 -2.700 -6.966 5.758 1.00 0.00 N ATOM 0 H ASN A 39 -1.289 -4.365 4.794 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.945 -5.143 4.504 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.525 -3.889 6.880 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.090 -4.674 6.956 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.272 -7.886 5.863 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.319 -6.779 4.969 1.00 0.00 H new ATOM 613 N CYS A 40 -3.497 -1.926 5.188 1.00 0.00 N ATOM 614 CA CYS A 40 -4.139 -0.621 5.152 1.00 0.00 C ATOM 615 C CYS A 40 -4.627 -0.287 3.745 1.00 0.00 C ATOM 616 O CYS A 40 -5.773 0.125 3.574 1.00 0.00 O ATOM 617 CB CYS A 40 -3.187 0.465 5.654 1.00 0.00 C ATOM 618 SG CYS A 40 -2.665 0.243 7.367 1.00 0.00 S ATOM 0 H CYS A 40 -2.517 -1.907 5.469 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.004 -0.658 5.814 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.304 0.485 5.015 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.674 1.435 5.555 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.839 -0.758 7.443 1.00 0.00 H new ATOM 624 N VAL A 41 -3.777 -0.472 2.743 1.00 0.00 N ATOM 625 CA VAL A 41 -4.181 -0.216 1.361 1.00 0.00 C ATOM 626 C VAL A 41 -5.414 -1.034 0.976 1.00 0.00 C ATOM 627 O VAL A 41 -6.408 -0.486 0.497 1.00 0.00 O ATOM 628 CB VAL A 41 -3.039 -0.518 0.362 1.00 0.00 C ATOM 629 CG1 VAL A 41 -3.505 -0.311 -1.071 1.00 0.00 C ATOM 630 CG2 VAL A 41 -1.826 0.353 0.651 1.00 0.00 C ATOM 0 H VAL A 41 -2.816 -0.794 2.855 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.425 0.845 1.305 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.753 -1.563 0.485 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.685 -0.529 -1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.341 -0.978 -1.282 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.823 0.723 -1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.035 0.124 -0.063 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.103 1.403 0.562 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.470 0.157 1.662 1.00 0.00 H new ATOM 640 N THR A 42 -5.373 -2.332 1.230 1.00 0.00 N ATOM 641 CA THR A 42 -6.420 -3.222 0.751 1.00 0.00 C ATOM 642 C THR A 42 -7.679 -3.150 1.628 1.00 0.00 C ATOM 643 O THR A 42 -8.792 -3.345 1.143 1.00 0.00 O ATOM 644 CB THR A 42 -5.897 -4.669 0.676 1.00 0.00 C ATOM 645 OG1 THR A 42 -4.556 -4.661 0.173 1.00 0.00 O ATOM 646 CG2 THR A 42 -6.758 -5.519 -0.243 1.00 0.00 C ATOM 0 H THR A 42 -4.633 -2.791 1.761 1.00 0.00 H new ATOM 0 HA THR A 42 -6.701 -2.892 -0.249 1.00 0.00 H new ATOM 0 HB THR A 42 -5.930 -5.095 1.679 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.926 -4.604 0.922 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.363 -6.535 -0.275 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.781 -5.539 0.132 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.748 -5.094 -1.247 1.00 0.00 H new ATOM 654 N HIS A 43 -7.505 -2.833 2.912 1.00 0.00 N ATOM 655 CA HIS A 43 -8.639 -2.743 3.837 1.00 0.00 C ATOM 656 C HIS A 43 -9.492 -1.512 3.526 1.00 0.00 C ATOM 657 O HIS A 43 -10.674 -1.453 3.867 1.00 0.00 O ATOM 658 CB HIS A 43 -8.151 -2.719 5.305 1.00 0.00 C ATOM 659 CG HIS A 43 -8.146 -1.368 5.965 1.00 0.00 C ATOM 660 ND1 HIS A 43 -7.296 -0.350 5.605 1.00 0.00 N ATOM 661 CD2 HIS A 43 -8.897 -0.878 6.974 1.00 0.00 C ATOM 662 CE1 HIS A 43 -7.524 0.704 6.361 1.00 0.00 C ATOM 663 NE2 HIS A 43 -8.492 0.411 7.201 1.00 0.00 N ATOM 0 H HIS A 43 -6.598 -2.635 3.334 1.00 0.00 H new ATOM 0 HA HIS A 43 -9.259 -3.629 3.703 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.783 -3.387 5.890 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -7.140 -3.124 5.340 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -6.596 -0.403 4.865 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.675 -1.406 7.505 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.004 1.649 6.301 1.00 0.00 H new ATOM 672 N LEU A 44 -8.881 -0.523 2.885 1.00 0.00 N ATOM 673 CA LEU A 44 -9.592 0.686 2.505 1.00 0.00 C ATOM 674 C LEU A 44 -10.472 0.410 1.301 1.00 0.00 C ATOM 675 O LEU A 44 -11.558 0.976 1.168 1.00 0.00 O ATOM 676 CB LEU A 44 -8.603 1.817 2.218 1.00 0.00 C ATOM 677 CG LEU A 44 -8.011 2.474 3.464 1.00 0.00 C ATOM 678 CD1 LEU A 44 -6.859 3.390 3.088 1.00 0.00 C ATOM 679 CD2 LEU A 44 -9.083 3.255 4.208 1.00 0.00 C ATOM 0 H LEU A 44 -7.896 -0.537 2.619 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.230 1.001 3.331 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.789 1.425 1.608 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.106 2.580 1.625 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.630 1.690 4.119 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.450 3.849 3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.081 2.811 2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.218 4.169 2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.647 3.718 5.094 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.488 4.029 3.556 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.883 2.579 4.509 1.00 0.00 H new ATOM 691 N LEU A 45 -10.007 -0.485 0.443 1.00 0.00 N ATOM 692 CA LEU A 45 -10.793 -0.929 -0.703 1.00 0.00 C ATOM 693 C LEU A 45 -12.118 -1.536 -0.255 1.00 0.00 C ATOM 694 O LEU A 45 -13.135 -1.359 -0.915 1.00 0.00 O ATOM 695 CB LEU A 45 -10.009 -1.948 -1.530 1.00 0.00 C ATOM 696 CG LEU A 45 -8.811 -1.380 -2.286 1.00 0.00 C ATOM 697 CD1 LEU A 45 -8.030 -2.494 -2.963 1.00 0.00 C ATOM 698 CD2 LEU A 45 -9.279 -0.360 -3.310 1.00 0.00 C ATOM 0 H LEU A 45 -9.088 -0.920 0.517 1.00 0.00 H new ATOM 0 HA LEU A 45 -11.003 -0.056 -1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.659 -2.740 -0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.687 -2.410 -2.248 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.150 -0.885 -1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.180 -2.070 -3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.672 -3.197 -2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.677 -3.016 -3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.418 0.040 -3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.955 -0.839 -4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.800 0.452 -2.803 1.00 0.00 H new ATOM 710 N GLU A 46 -12.101 -2.238 0.875 1.00 0.00 N ATOM 711 CA GLU A 46 -13.300 -2.892 1.395 1.00 0.00 C ATOM 712 C GLU A 46 -14.413 -1.891 1.672 1.00 0.00 C ATOM 713 O GLU A 46 -15.517 -1.987 1.140 1.00 0.00 O ATOM 714 CB GLU A 46 -13.021 -3.595 2.724 1.00 0.00 C ATOM 715 CG GLU A 46 -11.866 -4.570 2.732 1.00 0.00 C ATOM 716 CD GLU A 46 -11.689 -5.165 4.115 1.00 0.00 C ATOM 717 OE1 GLU A 46 -11.042 -4.514 4.967 1.00 0.00 O ATOM 718 OE2 GLU A 46 -12.243 -6.253 4.373 1.00 0.00 O ATOM 0 H GLU A 46 -11.269 -2.369 1.450 1.00 0.00 H new ATOM 0 HA GLU A 46 -13.600 -3.605 0.627 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.833 -2.834 3.481 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.922 -4.129 3.025 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.047 -5.364 2.008 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.951 -4.063 2.427 1.00 0.00 H new ATOM 725 N ARG A 47 -14.099 -0.929 2.516 1.00 0.00 N ATOM 726 CA ARG A 47 -15.118 -0.157 3.205 1.00 0.00 C ATOM 727 C ARG A 47 -15.261 1.250 2.633 1.00 0.00 C ATOM 728 O ARG A 47 -16.121 2.016 3.062 1.00 0.00 O ATOM 729 CB ARG A 47 -14.757 -0.131 4.689 1.00 0.00 C ATOM 730 CG ARG A 47 -14.511 -1.531 5.233 1.00 0.00 C ATOM 731 CD ARG A 47 -13.510 -1.548 6.377 1.00 0.00 C ATOM 732 NE ARG A 47 -12.874 -2.864 6.505 1.00 0.00 N ATOM 733 CZ ARG A 47 -13.033 -3.682 7.543 1.00 0.00 C ATOM 734 NH1 ARG A 47 -13.775 -3.313 8.581 1.00 0.00 N ATOM 735 NH2 ARG A 47 -12.441 -4.872 7.537 1.00 0.00 N ATOM 0 H ARG A 47 -13.141 -0.661 2.743 1.00 0.00 H new ATOM 0 HA ARG A 47 -16.091 -0.627 3.064 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -13.865 0.478 4.836 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -15.562 0.342 5.251 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -15.455 -1.954 5.575 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -14.148 -2.170 4.428 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -12.748 -0.787 6.208 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -14.014 -1.292 7.309 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.268 -3.174 5.746 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -14.227 -2.398 8.586 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -13.893 -3.944 9.373 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.869 -5.153 6.740 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.558 -5.504 8.329 1.00 0.00 H new ATOM 749 N LYS A 48 -14.424 1.583 1.666 1.00 0.00 N ATOM 750 CA LYS A 48 -14.544 2.855 0.964 1.00 0.00 C ATOM 751 C LYS A 48 -14.989 2.630 -0.478 1.00 0.00 C ATOM 752 O LYS A 48 -15.581 3.511 -1.105 1.00 0.00 O ATOM 753 CB LYS A 48 -13.217 3.616 0.990 1.00 0.00 C ATOM 754 CG LYS A 48 -12.910 4.293 2.318 1.00 0.00 C ATOM 755 CD LYS A 48 -13.819 5.494 2.551 1.00 0.00 C ATOM 756 CE LYS A 48 -13.403 6.294 3.778 1.00 0.00 C ATOM 757 NZ LYS A 48 -13.605 5.543 5.047 1.00 0.00 N ATOM 0 H LYS A 48 -13.655 0.994 1.347 1.00 0.00 H new ATOM 0 HA LYS A 48 -15.298 3.454 1.476 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.409 2.923 0.753 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.229 4.372 0.204 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.034 3.577 3.131 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.869 4.614 2.333 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.799 6.140 1.673 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -14.847 5.153 2.672 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.353 6.571 3.687 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.975 7.221 3.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.306 6.132 5.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.611 5.300 5.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.039 4.671 5.028 1.00 0.00 H new ATOM 771 N VAL A 49 -14.708 1.440 -0.997 1.00 0.00 N ATOM 772 CA VAL A 49 -15.030 1.104 -2.377 1.00 0.00 C ATOM 773 C VAL A 49 -15.952 -0.116 -2.427 1.00 0.00 C ATOM 774 O VAL A 49 -15.743 -1.086 -1.698 1.00 0.00 O ATOM 775 CB VAL A 49 -13.743 0.811 -3.191 1.00 0.00 C ATOM 776 CG1 VAL A 49 -14.063 0.559 -4.658 1.00 0.00 C ATOM 777 CG2 VAL A 49 -12.744 1.949 -3.051 1.00 0.00 C ATOM 0 H VAL A 49 -14.255 0.688 -0.478 1.00 0.00 H new ATOM 0 HA VAL A 49 -15.538 1.961 -2.819 1.00 0.00 H new ATOM 0 HB VAL A 49 -13.293 -0.095 -2.784 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -13.140 0.357 -5.202 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -14.730 -0.299 -4.743 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -14.548 1.439 -5.081 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -11.849 1.721 -3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -13.190 2.872 -3.420 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -12.475 2.070 -2.002 1.00 0.00 H new ATOM 787 N PRO A 50 -17.005 -0.069 -3.257 1.00 0.00 N ATOM 788 CA PRO A 50 -17.908 -1.209 -3.450 1.00 0.00 C ATOM 789 C PRO A 50 -17.182 -2.429 -4.020 1.00 0.00 C ATOM 790 O PRO A 50 -16.205 -2.291 -4.759 1.00 0.00 O ATOM 791 CB PRO A 50 -18.956 -0.686 -4.440 1.00 0.00 C ATOM 792 CG PRO A 50 -18.853 0.798 -4.364 1.00 0.00 C ATOM 793 CD PRO A 50 -17.416 1.096 -4.055 1.00 0.00 C ATOM 0 HA PRO A 50 -18.340 -1.549 -2.509 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -18.758 -1.044 -5.450 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -19.956 -1.026 -4.172 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -19.154 1.259 -5.305 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -19.509 1.196 -3.590 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -16.820 1.196 -4.962 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -17.307 2.027 -3.498 1.00 0.00 H new ATOM 801 N SER A 51 -17.685 -3.613 -3.673 1.00 0.00 N ATOM 802 CA SER A 51 -17.032 -4.889 -3.978 1.00 0.00 C ATOM 803 C SER A 51 -16.540 -5.005 -5.425 1.00 0.00 C ATOM 804 O SER A 51 -15.430 -5.481 -5.670 1.00 0.00 O ATOM 805 CB SER A 51 -18.002 -6.028 -3.668 1.00 0.00 C ATOM 806 OG SER A 51 -18.567 -5.865 -2.377 1.00 0.00 O ATOM 0 H SER A 51 -18.565 -3.716 -3.168 1.00 0.00 H new ATOM 0 HA SER A 51 -16.141 -4.947 -3.353 1.00 0.00 H new ATOM 0 HB2 SER A 51 -18.794 -6.053 -4.417 1.00 0.00 H new ATOM 0 HB3 SER A 51 -17.480 -6.983 -3.724 1.00 0.00 H new ATOM 0 HG SER A 51 -19.187 -6.602 -2.196 1.00 0.00 H new ATOM 812 N GLU A 52 -17.351 -4.558 -6.373 1.00 0.00 N ATOM 813 CA GLU A 52 -17.038 -4.727 -7.788 1.00 0.00 C ATOM 814 C GLU A 52 -15.824 -3.892 -8.192 1.00 0.00 C ATOM 815 O GLU A 52 -14.936 -4.368 -8.901 1.00 0.00 O ATOM 816 CB GLU A 52 -18.253 -4.340 -8.635 1.00 0.00 C ATOM 817 CG GLU A 52 -18.058 -4.543 -10.127 1.00 0.00 C ATOM 818 CD GLU A 52 -19.231 -4.034 -10.936 1.00 0.00 C ATOM 819 OE1 GLU A 52 -20.186 -4.806 -11.166 1.00 0.00 O ATOM 820 OE2 GLU A 52 -19.212 -2.854 -11.341 1.00 0.00 O ATOM 0 H GLU A 52 -18.231 -4.075 -6.190 1.00 0.00 H new ATOM 0 HA GLU A 52 -16.793 -5.775 -7.962 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -19.112 -4.926 -8.309 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -18.493 -3.293 -8.450 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -17.151 -4.030 -10.445 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -17.912 -5.604 -10.331 1.00 0.00 H new ATOM 827 N SER A 53 -15.775 -2.655 -7.720 1.00 0.00 N ATOM 828 CA SER A 53 -14.728 -1.728 -8.122 1.00 0.00 C ATOM 829 C SER A 53 -13.444 -1.948 -7.314 1.00 0.00 C ATOM 830 O SER A 53 -12.378 -1.461 -7.693 1.00 0.00 O ATOM 831 CB SER A 53 -15.217 -0.282 -7.966 1.00 0.00 C ATOM 832 OG SER A 53 -14.406 0.621 -8.705 1.00 0.00 O ATOM 0 H SER A 53 -16.449 -2.270 -7.058 1.00 0.00 H new ATOM 0 HA SER A 53 -14.496 -1.915 -9.170 1.00 0.00 H new ATOM 0 HB2 SER A 53 -16.250 -0.207 -8.305 1.00 0.00 H new ATOM 0 HB3 SER A 53 -15.206 -0.004 -6.912 1.00 0.00 H new ATOM 0 HG SER A 53 -13.464 0.370 -8.607 1.00 0.00 H new ATOM 838 N ARG A 54 -13.549 -2.689 -6.205 1.00 0.00 N ATOM 839 CA ARG A 54 -12.384 -2.993 -5.365 1.00 0.00 C ATOM 840 C ARG A 54 -11.282 -3.641 -6.189 1.00 0.00 C ATOM 841 O ARG A 54 -10.122 -3.237 -6.118 1.00 0.00 O ATOM 842 CB ARG A 54 -12.755 -3.937 -4.217 1.00 0.00 C ATOM 843 CG ARG A 54 -13.764 -3.366 -3.246 1.00 0.00 C ATOM 844 CD ARG A 54 -14.072 -4.349 -2.127 1.00 0.00 C ATOM 845 NE ARG A 54 -15.190 -3.899 -1.302 1.00 0.00 N ATOM 846 CZ ARG A 54 -15.968 -4.717 -0.592 1.00 0.00 C ATOM 847 NH1 ARG A 54 -15.704 -6.018 -0.536 1.00 0.00 N ATOM 848 NH2 ARG A 54 -17.008 -4.236 0.071 1.00 0.00 N ATOM 0 H ARG A 54 -14.425 -3.088 -5.869 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.032 -2.048 -4.952 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.153 -4.861 -4.636 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.849 -4.199 -3.670 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.379 -2.438 -2.822 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.683 -3.117 -3.777 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.305 -5.324 -2.554 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.188 -4.477 -1.502 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.388 -2.899 -1.267 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.901 -6.398 -1.038 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.304 -6.637 0.009 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -17.216 -3.238 0.039 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.602 -4.864 0.613 1.00 0.00 H new ATOM 862 N GLN A 55 -11.663 -4.643 -6.974 1.00 0.00 N ATOM 863 CA GLN A 55 -10.717 -5.373 -7.803 1.00 0.00 C ATOM 864 C GLN A 55 -10.065 -4.449 -8.820 1.00 0.00 C ATOM 865 O GLN A 55 -8.855 -4.503 -9.034 1.00 0.00 O ATOM 866 CB GLN A 55 -11.421 -6.530 -8.516 1.00 0.00 C ATOM 867 CG GLN A 55 -10.516 -7.305 -9.457 1.00 0.00 C ATOM 868 CD GLN A 55 -11.205 -8.498 -10.084 1.00 0.00 C ATOM 869 OE1 GLN A 55 -11.159 -9.605 -9.550 1.00 0.00 O ATOM 870 NE2 GLN A 55 -11.836 -8.286 -11.226 1.00 0.00 N ATOM 0 H GLN A 55 -12.627 -4.968 -7.052 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.937 -5.777 -7.157 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.826 -7.213 -7.769 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.267 -6.137 -9.080 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -10.163 -6.639 -10.245 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.637 -7.645 -8.910 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -11.850 -7.352 -11.635 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.309 -9.057 -11.698 1.00 0.00 H new ATOM 879 N ALA A 56 -10.872 -3.587 -9.424 1.00 0.00 N ATOM 880 CA ALA A 56 -10.386 -2.665 -10.437 1.00 0.00 C ATOM 881 C ALA A 56 -9.323 -1.735 -9.866 1.00 0.00 C ATOM 882 O ALA A 56 -8.242 -1.596 -10.440 1.00 0.00 O ATOM 883 CB ALA A 56 -11.537 -1.867 -11.020 1.00 0.00 C ATOM 0 H ALA A 56 -11.870 -3.508 -9.228 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.927 -3.248 -11.235 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.157 -1.181 -11.777 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.257 -2.547 -11.475 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.024 -1.299 -10.227 1.00 0.00 H new ATOM 889 N VAL A 57 -9.624 -1.111 -8.727 1.00 0.00 N ATOM 890 CA VAL A 57 -8.666 -0.226 -8.076 1.00 0.00 C ATOM 891 C VAL A 57 -7.415 -0.998 -7.688 1.00 0.00 C ATOM 892 O VAL A 57 -6.304 -0.553 -7.949 1.00 0.00 O ATOM 893 CB VAL A 57 -9.241 0.450 -6.809 1.00 0.00 C ATOM 894 CG1 VAL A 57 -8.202 1.361 -6.171 1.00 0.00 C ATOM 895 CG2 VAL A 57 -10.498 1.239 -7.127 1.00 0.00 C ATOM 0 H VAL A 57 -10.516 -1.202 -8.242 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.429 0.555 -8.799 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.503 -0.339 -6.104 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.625 1.828 -5.281 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.326 0.775 -5.892 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.910 2.134 -6.882 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.877 1.702 -6.216 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.266 2.014 -7.858 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.254 0.569 -7.536 1.00 0.00 H new ATOM 905 N ALA A 58 -7.611 -2.168 -7.086 1.00 0.00 N ATOM 906 CA ALA A 58 -6.501 -2.994 -6.625 1.00 0.00 C ATOM 907 C ALA A 58 -5.525 -3.296 -7.754 1.00 0.00 C ATOM 908 O ALA A 58 -4.319 -3.087 -7.615 1.00 0.00 O ATOM 909 CB ALA A 58 -7.020 -4.290 -6.021 1.00 0.00 C ATOM 0 H ALA A 58 -8.533 -2.566 -6.906 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.966 -2.433 -5.859 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.180 -4.895 -5.682 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.669 -4.063 -5.175 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.584 -4.842 -6.773 1.00 0.00 H new ATOM 915 N GLU A 59 -6.050 -3.766 -8.877 1.00 0.00 N ATOM 916 CA GLU A 59 -5.210 -4.144 -10.003 1.00 0.00 C ATOM 917 C GLU A 59 -4.545 -2.924 -10.636 1.00 0.00 C ATOM 918 O GLU A 59 -3.349 -2.945 -10.918 1.00 0.00 O ATOM 919 CB GLU A 59 -6.019 -4.914 -11.046 1.00 0.00 C ATOM 920 CG GLU A 59 -6.633 -6.195 -10.501 1.00 0.00 C ATOM 921 CD GLU A 59 -7.049 -7.161 -11.591 1.00 0.00 C ATOM 922 OE1 GLU A 59 -6.366 -7.217 -12.632 1.00 0.00 O ATOM 923 OE2 GLU A 59 -8.041 -7.895 -11.400 1.00 0.00 O ATOM 0 H GLU A 59 -7.050 -3.894 -9.032 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.422 -4.795 -9.624 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.813 -4.272 -11.428 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.373 -5.158 -11.890 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.915 -6.685 -9.844 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.503 -5.945 -9.893 1.00 0.00 H new ATOM 930 N GLN A 60 -5.310 -1.855 -10.836 1.00 0.00 N ATOM 931 CA GLN A 60 -4.774 -0.640 -11.445 1.00 0.00 C ATOM 932 C GLN A 60 -3.743 0.022 -10.535 1.00 0.00 C ATOM 933 O GLN A 60 -2.740 0.560 -11.007 1.00 0.00 O ATOM 934 CB GLN A 60 -5.898 0.343 -11.777 1.00 0.00 C ATOM 935 CG GLN A 60 -6.835 -0.152 -12.865 1.00 0.00 C ATOM 936 CD GLN A 60 -7.984 0.803 -13.127 1.00 0.00 C ATOM 937 OE1 GLN A 60 -8.427 1.518 -12.230 1.00 0.00 O ATOM 938 NE2 GLN A 60 -8.478 0.816 -14.354 1.00 0.00 N ATOM 0 H GLN A 60 -6.298 -1.804 -10.587 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.277 -0.925 -12.373 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.475 0.541 -10.874 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.460 1.291 -12.089 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.271 -0.297 -13.786 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.235 -1.125 -12.580 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.082 0.207 -15.070 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.255 1.435 -14.584 1.00 0.00 H new ATOM 947 N PHE A 61 -3.992 -0.022 -9.231 1.00 0.00 N ATOM 948 CA PHE A 61 -3.059 0.517 -8.250 1.00 0.00 C ATOM 949 C PHE A 61 -1.771 -0.294 -8.248 1.00 0.00 C ATOM 950 O PHE A 61 -0.676 0.266 -8.269 1.00 0.00 O ATOM 951 CB PHE A 61 -3.688 0.511 -6.851 1.00 0.00 C ATOM 952 CG PHE A 61 -2.763 0.978 -5.758 1.00 0.00 C ATOM 953 CD1 PHE A 61 -2.573 2.329 -5.520 1.00 0.00 C ATOM 954 CD2 PHE A 61 -2.093 0.061 -4.963 1.00 0.00 C ATOM 955 CE1 PHE A 61 -1.730 2.757 -4.513 1.00 0.00 C ATOM 956 CE2 PHE A 61 -1.246 0.481 -3.956 1.00 0.00 C ATOM 957 CZ PHE A 61 -1.066 1.831 -3.728 1.00 0.00 C ATOM 0 H PHE A 61 -4.837 -0.428 -8.828 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.827 1.547 -8.523 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.573 1.147 -6.860 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.024 -0.500 -6.620 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.090 3.056 -6.129 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.235 -0.996 -5.133 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.589 3.813 -4.338 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.726 -0.245 -3.348 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.408 2.163 -2.939 1.00 0.00 H new ATOM 967 N ALA A 62 -1.914 -1.613 -8.235 1.00 0.00 N ATOM 968 CA ALA A 62 -0.768 -2.510 -8.242 1.00 0.00 C ATOM 969 C ALA A 62 0.070 -2.314 -9.503 1.00 0.00 C ATOM 970 O ALA A 62 1.302 -2.311 -9.449 1.00 0.00 O ATOM 971 CB ALA A 62 -1.236 -3.953 -8.120 1.00 0.00 C ATOM 0 H ALA A 62 -2.817 -2.086 -8.219 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.137 -2.275 -7.385 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.372 -4.617 -8.126 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.785 -4.080 -7.187 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.887 -4.197 -8.960 1.00 0.00 H new ATOM 977 N LYS A 63 -0.604 -2.132 -10.634 1.00 0.00 N ATOM 978 CA LYS A 63 0.079 -1.863 -11.893 1.00 0.00 C ATOM 979 C LYS A 63 0.815 -0.533 -11.828 1.00 0.00 C ATOM 980 O LYS A 63 1.988 -0.446 -12.189 1.00 0.00 O ATOM 981 CB LYS A 63 -0.907 -1.851 -13.060 1.00 0.00 C ATOM 982 CG LYS A 63 -1.504 -3.209 -13.377 1.00 0.00 C ATOM 983 CD LYS A 63 -2.418 -3.133 -14.586 1.00 0.00 C ATOM 984 CE LYS A 63 -2.961 -4.500 -14.967 1.00 0.00 C ATOM 985 NZ LYS A 63 -3.681 -4.463 -16.266 1.00 0.00 N ATOM 0 H LYS A 63 -1.621 -2.166 -10.704 1.00 0.00 H new ATOM 0 HA LYS A 63 0.802 -2.663 -12.057 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.714 -1.155 -12.833 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.399 -1.473 -13.947 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.705 -3.926 -13.565 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.064 -3.574 -12.516 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.247 -2.458 -14.373 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.872 -2.711 -15.429 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.140 -5.214 -15.026 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.635 -4.854 -14.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.037 -5.413 -16.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.480 -3.800 -16.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.031 -4.149 -17.015 1.00 0.00 H new ATOM 999 N ALA A 64 0.122 0.499 -11.356 1.00 0.00 N ATOM 1000 CA ALA A 64 0.712 1.826 -11.227 1.00 0.00 C ATOM 1001 C ALA A 64 1.902 1.799 -10.275 1.00 0.00 C ATOM 1002 O ALA A 64 2.889 2.504 -10.481 1.00 0.00 O ATOM 1003 CB ALA A 64 -0.327 2.829 -10.749 1.00 0.00 C ATOM 0 H ALA A 64 -0.851 0.441 -11.056 1.00 0.00 H new ATOM 0 HA ALA A 64 1.067 2.136 -12.210 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.132 3.813 -10.659 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.146 2.875 -11.467 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.713 2.518 -9.778 1.00 0.00 H new ATOM 1009 N LEU A 65 1.797 0.979 -9.238 1.00 0.00 N ATOM 1010 CA LEU A 65 2.870 0.813 -8.268 1.00 0.00 C ATOM 1011 C LEU A 65 4.110 0.245 -8.952 1.00 0.00 C ATOM 1012 O LEU A 65 5.192 0.826 -8.886 1.00 0.00 O ATOM 1013 CB LEU A 65 2.417 -0.127 -7.150 1.00 0.00 C ATOM 1014 CG LEU A 65 3.124 0.055 -5.811 1.00 0.00 C ATOM 1015 CD1 LEU A 65 2.714 1.373 -5.175 1.00 0.00 C ATOM 1016 CD2 LEU A 65 2.811 -1.109 -4.884 1.00 0.00 C ATOM 0 H LEU A 65 0.970 0.413 -9.046 1.00 0.00 H new ATOM 0 HA LEU A 65 3.116 1.785 -7.841 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.346 0.009 -6.997 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.564 -1.155 -7.482 1.00 0.00 H new ATOM 0 HG LEU A 65 4.200 0.075 -5.983 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.226 1.491 -4.220 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.986 2.196 -5.836 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.636 1.379 -5.012 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.323 -0.964 -3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.736 -1.159 -4.713 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.150 -2.039 -5.341 1.00 0.00 H new ATOM 1028 N ALA A 66 3.931 -0.885 -9.631 1.00 0.00 N ATOM 1029 CA ALA A 66 5.023 -1.539 -10.342 1.00 0.00 C ATOM 1030 C ALA A 66 5.586 -0.635 -11.435 1.00 0.00 C ATOM 1031 O ALA A 66 6.792 -0.613 -11.678 1.00 0.00 O ATOM 1032 CB ALA A 66 4.553 -2.860 -10.935 1.00 0.00 C ATOM 0 H ALA A 66 3.035 -1.368 -9.703 1.00 0.00 H new ATOM 0 HA ALA A 66 5.820 -1.740 -9.626 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.379 -3.336 -11.463 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.207 -3.515 -10.135 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.736 -2.676 -11.632 1.00 0.00 H new ATOM 1038 N GLN A 67 4.705 0.113 -12.092 1.00 0.00 N ATOM 1039 CA GLN A 67 5.121 1.054 -13.123 1.00 0.00 C ATOM 1040 C GLN A 67 5.940 2.190 -12.526 1.00 0.00 C ATOM 1041 O GLN A 67 6.890 2.660 -13.145 1.00 0.00 O ATOM 1042 CB GLN A 67 3.911 1.610 -13.878 1.00 0.00 C ATOM 1043 CG GLN A 67 3.340 0.638 -14.897 1.00 0.00 C ATOM 1044 CD GLN A 67 4.138 0.581 -16.193 1.00 0.00 C ATOM 1045 OE1 GLN A 67 5.424 0.904 -16.132 1.00 0.00 O flip ATOM 1046 NE2 GLN A 67 3.594 0.270 -17.251 1.00 0.00 N flip ATOM 0 H GLN A 67 3.699 0.085 -11.928 1.00 0.00 H new ATOM 0 HA GLN A 67 5.749 0.513 -13.831 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.133 1.872 -13.161 1.00 0.00 H new ATOM 0 HB3 GLN A 67 4.200 2.530 -14.386 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.304 -0.359 -14.457 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.313 0.923 -15.124 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.603 0.027 -17.263 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.133 0.255 -18.117 1.00 0.00 H new ATOM 1055 N SER A 68 5.580 2.617 -11.321 1.00 0.00 N ATOM 1056 CA SER A 68 6.336 3.654 -10.630 1.00 0.00 C ATOM 1057 C SER A 68 7.761 3.182 -10.363 1.00 0.00 C ATOM 1058 O SER A 68 8.709 3.958 -10.457 1.00 0.00 O ATOM 1059 CB SER A 68 5.640 4.045 -9.321 1.00 0.00 C ATOM 1060 OG SER A 68 4.338 4.559 -9.570 1.00 0.00 O ATOM 0 H SER A 68 4.774 2.264 -10.805 1.00 0.00 H new ATOM 0 HA SER A 68 6.380 4.536 -11.269 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.573 3.176 -8.667 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.236 4.792 -8.797 1.00 0.00 H new ATOM 0 HG SER A 68 3.717 3.817 -9.724 1.00 0.00 H new ATOM 1066 N VAL A 69 7.904 1.896 -10.052 1.00 0.00 N ATOM 1067 CA VAL A 69 9.218 1.294 -9.863 1.00 0.00 C ATOM 1068 C VAL A 69 9.967 1.228 -11.195 1.00 0.00 C ATOM 1069 O VAL A 69 11.127 1.636 -11.291 1.00 0.00 O ATOM 1070 CB VAL A 69 9.106 -0.126 -9.264 1.00 0.00 C ATOM 1071 CG1 VAL A 69 10.483 -0.740 -9.057 1.00 0.00 C ATOM 1072 CG2 VAL A 69 8.334 -0.096 -7.954 1.00 0.00 C ATOM 0 H VAL A 69 7.124 1.251 -9.926 1.00 0.00 H new ATOM 0 HA VAL A 69 9.771 1.921 -9.163 1.00 0.00 H new ATOM 0 HB VAL A 69 8.560 -0.748 -9.973 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.376 -1.739 -8.635 1.00 0.00 H new ATOM 0 HG12 VAL A 69 11.000 -0.804 -10.014 1.00 0.00 H new ATOM 0 HG13 VAL A 69 11.060 -0.117 -8.374 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.266 -1.105 -7.548 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.851 0.547 -7.242 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.331 0.292 -8.132 1.00 0.00 H new ATOM 1082 N LYS A 70 9.285 0.726 -12.224 1.00 0.00 N ATOM 1083 CA LYS A 70 9.862 0.631 -13.564 1.00 0.00 C ATOM 1084 C LYS A 70 10.339 1.996 -14.053 1.00 0.00 C ATOM 1085 O LYS A 70 11.457 2.127 -14.541 1.00 0.00 O ATOM 1086 CB LYS A 70 8.843 0.070 -14.562 1.00 0.00 C ATOM 1087 CG LYS A 70 8.510 -1.400 -14.372 1.00 0.00 C ATOM 1088 CD LYS A 70 7.433 -1.842 -15.355 1.00 0.00 C ATOM 1089 CE LYS A 70 7.114 -3.325 -15.230 1.00 0.00 C ATOM 1090 NZ LYS A 70 8.207 -4.185 -15.755 1.00 0.00 N ATOM 0 H LYS A 70 8.329 0.378 -12.154 1.00 0.00 H new ATOM 0 HA LYS A 70 10.714 -0.046 -13.501 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.923 0.650 -14.485 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.227 0.214 -15.572 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.407 -2.002 -14.514 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.169 -1.571 -13.351 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.527 -1.261 -15.183 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.761 -1.627 -16.372 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.935 -3.568 -14.183 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.193 -3.543 -15.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.813 -4.878 -16.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.910 -3.594 -16.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.664 -4.686 -14.966 1.00 0.00 H new ATOM 1392 N SER B 8 4.315 -10.415 15.181 1.00 0.00 N ATOM 1393 CA SER B 8 3.544 -10.300 16.400 1.00 0.00 C ATOM 1394 C SER B 8 2.166 -9.755 16.049 1.00 0.00 C ATOM 1395 O SER B 8 2.046 -8.653 15.508 1.00 0.00 O ATOM 1396 CB SER B 8 4.250 -9.379 17.399 1.00 0.00 C ATOM 1397 OG SER B 8 5.552 -9.851 17.694 1.00 0.00 O ATOM 0 HA SER B 8 3.445 -11.279 16.868 1.00 0.00 H new ATOM 0 HB2 SER B 8 4.309 -8.370 16.990 1.00 0.00 H new ATOM 0 HB3 SER B 8 3.666 -9.317 18.317 1.00 0.00 H new ATOM 0 HG SER B 8 5.928 -10.291 16.903 1.00 0.00 H new ATOM 1403 N ASN B 9 1.134 -10.536 16.341 1.00 0.00 N ATOM 1404 CA ASN B 9 -0.233 -10.193 15.960 1.00 0.00 C ATOM 1405 C ASN B 9 -0.657 -8.837 16.512 1.00 0.00 C ATOM 1406 O ASN B 9 -1.331 -8.066 15.827 1.00 0.00 O ATOM 1407 CB ASN B 9 -1.200 -11.280 16.430 1.00 0.00 C ATOM 1408 CG ASN B 9 -1.258 -12.453 15.469 1.00 0.00 C ATOM 1409 OD1 ASN B 9 -1.161 -12.279 14.257 1.00 0.00 O ATOM 1410 ND2 ASN B 9 -1.409 -13.656 16.001 1.00 0.00 N ATOM 0 H ASN B 9 1.218 -11.419 16.845 1.00 0.00 H new ATOM 0 HA ASN B 9 -0.263 -10.127 14.872 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -0.894 -11.634 17.414 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -2.197 -10.854 16.540 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -1.448 -14.479 15.399 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -1.486 -13.760 17.013 1.00 0.00 H new ATOM 1417 N THR B 10 -0.258 -8.543 17.740 1.00 0.00 N ATOM 1418 CA THR B 10 -0.592 -7.267 18.357 1.00 0.00 C ATOM 1419 C THR B 10 0.171 -6.112 17.697 1.00 0.00 C ATOM 1420 O THR B 10 -0.346 -5.000 17.593 1.00 0.00 O ATOM 1421 CB THR B 10 -0.316 -7.283 19.877 1.00 0.00 C ATOM 1422 OG1 THR B 10 -0.753 -6.055 20.476 1.00 0.00 O ATOM 1423 CG2 THR B 10 1.165 -7.494 20.172 1.00 0.00 C ATOM 0 H THR B 10 0.295 -9.167 18.327 1.00 0.00 H new ATOM 0 HA THR B 10 -1.660 -7.110 18.204 1.00 0.00 H new ATOM 0 HB THR B 10 -0.874 -8.116 20.304 1.00 0.00 H new ATOM 0 HG1 THR B 10 -0.574 -6.079 21.439 1.00 0.00 H new ATOM 0 HG21 THR B 10 1.324 -7.500 21.250 1.00 0.00 H new ATOM 0 HG22 THR B 10 1.487 -8.447 19.752 1.00 0.00 H new ATOM 0 HG23 THR B 10 1.744 -6.686 19.724 1.00 0.00 H new ATOM 1431 N GLN B 11 1.387 -6.387 17.220 1.00 0.00 N ATOM 1432 CA GLN B 11 2.214 -5.354 16.604 1.00 0.00 C ATOM 1433 C GLN B 11 1.581 -4.898 15.297 1.00 0.00 C ATOM 1434 O GLN B 11 1.356 -3.708 15.092 1.00 0.00 O ATOM 1435 CB GLN B 11 3.639 -5.865 16.347 1.00 0.00 C ATOM 1436 CG GLN B 11 4.613 -4.775 15.917 1.00 0.00 C ATOM 1437 CD GLN B 11 4.828 -3.711 16.984 1.00 0.00 C ATOM 1438 OE1 GLN B 11 4.120 -2.702 17.032 1.00 0.00 O ATOM 1439 NE2 GLN B 11 5.813 -3.928 17.841 1.00 0.00 N ATOM 0 H GLN B 11 1.817 -7.312 17.249 1.00 0.00 H new ATOM 0 HA GLN B 11 2.276 -4.511 17.292 1.00 0.00 H new ATOM 0 HB2 GLN B 11 4.015 -6.338 17.254 1.00 0.00 H new ATOM 0 HB3 GLN B 11 3.606 -6.635 15.576 1.00 0.00 H new ATOM 0 HG2 GLN B 11 5.572 -5.230 15.668 1.00 0.00 H new ATOM 0 HG3 GLN B 11 4.240 -4.301 15.009 1.00 0.00 H new ATOM 0 HE21 GLN B 11 6.376 -4.776 17.767 1.00 0.00 H new ATOM 0 HE22 GLN B 11 6.009 -3.248 18.575 1.00 0.00 H new ATOM 1448 N VAL B 12 1.266 -5.859 14.432 1.00 0.00 N ATOM 1449 CA VAL B 12 0.627 -5.562 13.152 1.00 0.00 C ATOM 1450 C VAL B 12 -0.672 -4.797 13.378 1.00 0.00 C ATOM 1451 O VAL B 12 -0.953 -3.802 12.708 1.00 0.00 O ATOM 1452 CB VAL B 12 0.318 -6.852 12.361 1.00 0.00 C ATOM 1453 CG1 VAL B 12 -0.220 -6.521 10.977 1.00 0.00 C ATOM 1454 CG2 VAL B 12 1.553 -7.735 12.261 1.00 0.00 C ATOM 0 H VAL B 12 1.443 -6.850 14.594 1.00 0.00 H new ATOM 0 HA VAL B 12 1.323 -4.955 12.573 1.00 0.00 H new ATOM 0 HB VAL B 12 -0.451 -7.404 12.902 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -0.431 -7.445 10.438 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.137 -5.940 11.073 1.00 0.00 H new ATOM 0 HG13 VAL B 12 0.522 -5.941 10.427 1.00 0.00 H new ATOM 0 HG21 VAL B 12 1.311 -8.637 11.700 1.00 0.00 H new ATOM 0 HG22 VAL B 12 2.348 -7.192 11.750 1.00 0.00 H new ATOM 0 HG23 VAL B 12 1.886 -8.009 13.262 1.00 0.00 H new ATOM 1464 N GLU B 13 -1.439 -5.263 14.352 1.00 0.00 N ATOM 1465 CA GLU B 13 -2.716 -4.657 14.699 1.00 0.00 C ATOM 1466 C GLU B 13 -2.519 -3.218 15.179 1.00 0.00 C ATOM 1467 O GLU B 13 -3.285 -2.321 14.818 1.00 0.00 O ATOM 1468 CB GLU B 13 -3.388 -5.495 15.785 1.00 0.00 C ATOM 1469 CG GLU B 13 -4.848 -5.157 16.021 1.00 0.00 C ATOM 1470 CD GLU B 13 -5.451 -5.987 17.133 1.00 0.00 C ATOM 1471 OE1 GLU B 13 -5.905 -7.119 16.857 1.00 0.00 O ATOM 1472 OE2 GLU B 13 -5.458 -5.516 18.291 1.00 0.00 O ATOM 0 H GLU B 13 -1.194 -6.071 14.924 1.00 0.00 H new ATOM 0 HA GLU B 13 -3.353 -4.630 13.815 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -3.310 -6.548 15.515 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -2.841 -5.364 16.719 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -4.940 -4.099 16.268 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -5.411 -5.320 15.102 1.00 0.00 H new ATOM 1479 N SER B 14 -1.487 -3.007 15.987 1.00 0.00 N ATOM 1480 CA SER B 14 -1.170 -1.682 16.498 1.00 0.00 C ATOM 1481 C SER B 14 -0.734 -0.756 15.366 1.00 0.00 C ATOM 1482 O SER B 14 -1.084 0.427 15.358 1.00 0.00 O ATOM 1483 CB SER B 14 -0.074 -1.766 17.568 1.00 0.00 C ATOM 1484 OG SER B 14 0.223 -0.487 18.107 1.00 0.00 O ATOM 0 H SER B 14 -0.854 -3.741 16.303 1.00 0.00 H new ATOM 0 HA SER B 14 -2.070 -1.269 16.953 1.00 0.00 H new ATOM 0 HB2 SER B 14 -0.395 -2.434 18.368 1.00 0.00 H new ATOM 0 HB3 SER B 14 0.828 -2.198 17.134 1.00 0.00 H new ATOM 0 HG SER B 14 0.924 -0.573 18.787 1.00 0.00 H new ATOM 1490 N LEU B 15 0.026 -1.293 14.414 1.00 0.00 N ATOM 1491 CA LEU B 15 0.469 -0.512 13.265 1.00 0.00 C ATOM 1492 C LEU B 15 -0.725 0.007 12.479 1.00 0.00 C ATOM 1493 O LEU B 15 -0.885 1.215 12.321 1.00 0.00 O ATOM 1494 CB LEU B 15 1.375 -1.333 12.341 1.00 0.00 C ATOM 1495 CG LEU B 15 2.881 -1.165 12.567 1.00 0.00 C ATOM 1496 CD1 LEU B 15 3.293 -1.720 13.917 1.00 0.00 C ATOM 1497 CD2 LEU B 15 3.668 -1.838 11.456 1.00 0.00 C ATOM 0 H LEU B 15 0.346 -2.262 14.416 1.00 0.00 H new ATOM 0 HA LEU B 15 1.044 0.331 13.648 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.124 -2.387 12.459 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.149 -1.065 11.309 1.00 0.00 H new ATOM 0 HG LEU B 15 3.105 -0.098 12.554 1.00 0.00 H new ATOM 0 HD11 LEU B 15 4.367 -1.588 14.052 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.760 -1.190 14.706 1.00 0.00 H new ATOM 0 HD13 LEU B 15 3.049 -2.781 13.964 1.00 0.00 H new ATOM 0 HD21 LEU B 15 4.735 -1.707 11.635 1.00 0.00 H new ATOM 0 HD22 LEU B 15 3.431 -2.902 11.435 1.00 0.00 H new ATOM 0 HD23 LEU B 15 3.403 -1.389 10.499 1.00 0.00 H new ATOM 1509 N ILE B 16 -1.569 -0.914 12.018 1.00 0.00 N ATOM 1510 CA ILE B 16 -2.733 -0.565 11.206 1.00 0.00 C ATOM 1511 C ILE B 16 -3.560 0.537 11.865 1.00 0.00 C ATOM 1512 O ILE B 16 -3.943 1.510 11.215 1.00 0.00 O ATOM 1513 CB ILE B 16 -3.633 -1.797 10.959 1.00 0.00 C ATOM 1514 CG1 ILE B 16 -2.836 -2.903 10.262 1.00 0.00 C ATOM 1515 CG2 ILE B 16 -4.850 -1.412 10.123 1.00 0.00 C ATOM 1516 CD1 ILE B 16 -3.609 -4.194 10.091 1.00 0.00 C ATOM 0 H ILE B 16 -1.467 -1.913 12.194 1.00 0.00 H new ATOM 0 HA ILE B 16 -2.355 -0.202 10.250 1.00 0.00 H new ATOM 0 HB ILE B 16 -3.982 -2.170 11.922 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -2.518 -2.547 9.282 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -1.932 -3.104 10.836 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -5.472 -2.292 9.959 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -5.428 -0.652 10.650 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -4.521 -1.016 9.162 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -2.981 -4.931 9.590 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -3.904 -4.574 11.069 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -4.499 -4.008 9.490 1.00 0.00 H new ATOM 1528 N ALA B 17 -3.800 0.390 13.163 1.00 0.00 N ATOM 1529 CA ALA B 17 -4.601 1.351 13.911 1.00 0.00 C ATOM 1530 C ALA B 17 -3.973 2.743 13.901 1.00 0.00 C ATOM 1531 O ALA B 17 -4.650 3.733 13.631 1.00 0.00 O ATOM 1532 CB ALA B 17 -4.795 0.873 15.341 1.00 0.00 C ATOM 0 H ALA B 17 -3.450 -0.389 13.721 1.00 0.00 H new ATOM 0 HA ALA B 17 -5.572 1.423 13.421 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -5.395 1.599 15.889 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -5.306 -0.090 15.337 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -3.824 0.766 15.824 1.00 0.00 H new ATOM 1538 N GLU B 18 -2.675 2.813 14.173 1.00 0.00 N ATOM 1539 CA GLU B 18 -1.997 4.096 14.303 1.00 0.00 C ATOM 1540 C GLU B 18 -1.797 4.758 12.939 1.00 0.00 C ATOM 1541 O GLU B 18 -1.851 5.985 12.819 1.00 0.00 O ATOM 1542 CB GLU B 18 -0.661 3.923 15.027 1.00 0.00 C ATOM 1543 CG GLU B 18 0.033 5.236 15.344 1.00 0.00 C ATOM 1544 CD GLU B 18 1.225 5.053 16.255 1.00 0.00 C ATOM 1545 OE1 GLU B 18 2.245 4.504 15.806 1.00 0.00 O ATOM 1546 OE2 GLU B 18 1.150 5.457 17.435 1.00 0.00 O ATOM 0 H GLU B 18 -2.074 2.000 14.307 1.00 0.00 H new ATOM 0 HA GLU B 18 -2.629 4.754 14.899 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -0.828 3.377 15.955 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -0.000 3.312 14.412 1.00 0.00 H new ATOM 0 HG2 GLU B 18 0.358 5.706 14.415 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -0.678 5.916 15.813 1.00 0.00 H new ATOM 1553 N ILE B 19 -1.580 3.947 11.910 1.00 0.00 N ATOM 1554 CA ILE B 19 -1.466 4.470 10.554 1.00 0.00 C ATOM 1555 C ILE B 19 -2.802 5.082 10.132 1.00 0.00 C ATOM 1556 O ILE B 19 -2.847 6.110 9.449 1.00 0.00 O ATOM 1557 CB ILE B 19 -1.047 3.376 9.543 1.00 0.00 C ATOM 1558 CG1 ILE B 19 0.235 2.680 10.007 1.00 0.00 C ATOM 1559 CG2 ILE B 19 -0.831 3.984 8.166 1.00 0.00 C ATOM 1560 CD1 ILE B 19 0.614 1.470 9.175 1.00 0.00 C ATOM 0 H ILE B 19 -1.480 2.935 11.987 1.00 0.00 H new ATOM 0 HA ILE B 19 -0.686 5.232 10.553 1.00 0.00 H new ATOM 0 HB ILE B 19 -1.848 2.639 9.485 1.00 0.00 H new ATOM 0 HG12 ILE B 19 1.055 3.397 9.982 1.00 0.00 H new ATOM 0 HG13 ILE B 19 0.113 2.371 11.045 1.00 0.00 H new ATOM 0 HG21 ILE B 19 -0.537 3.203 7.465 1.00 0.00 H new ATOM 0 HG22 ILE B 19 -1.756 4.448 7.824 1.00 0.00 H new ATOM 0 HG23 ILE B 19 -0.045 4.738 8.220 1.00 0.00 H new ATOM 0 HD11 ILE B 19 1.532 1.033 9.566 1.00 0.00 H new ATOM 0 HD12 ILE B 19 -0.187 0.732 9.220 1.00 0.00 H new ATOM 0 HD13 ILE B 19 0.769 1.774 8.140 1.00 0.00 H new ATOM 1572 N LEU B 20 -3.890 4.457 10.575 1.00 0.00 N ATOM 1573 CA LEU B 20 -5.227 4.986 10.339 1.00 0.00 C ATOM 1574 C LEU B 20 -5.417 6.308 11.069 1.00 0.00 C ATOM 1575 O LEU B 20 -6.102 7.202 10.574 1.00 0.00 O ATOM 1576 CB LEU B 20 -6.297 3.986 10.789 1.00 0.00 C ATOM 1577 CG LEU B 20 -6.386 2.713 9.953 1.00 0.00 C ATOM 1578 CD1 LEU B 20 -7.462 1.786 10.498 1.00 0.00 C ATOM 1579 CD2 LEU B 20 -6.666 3.056 8.500 1.00 0.00 C ATOM 0 H LEU B 20 -3.870 3.583 11.100 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.335 5.155 9.268 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -6.100 3.709 11.825 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -7.267 4.483 10.771 1.00 0.00 H new ATOM 0 HG LEU B 20 -5.429 2.195 10.011 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -7.509 0.884 9.887 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -7.223 1.516 11.526 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -8.427 2.293 10.471 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -6.727 2.138 7.915 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -7.611 3.595 8.429 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -5.862 3.681 8.112 1.00 0.00 H new ATOM 1591 N VAL B 21 -4.806 6.426 12.245 1.00 0.00 N ATOM 1592 CA VAL B 21 -4.849 7.667 13.011 1.00 0.00 C ATOM 1593 C VAL B 21 -4.290 8.819 12.184 1.00 0.00 C ATOM 1594 O VAL B 21 -4.863 9.900 12.163 1.00 0.00 O ATOM 1595 CB VAL B 21 -4.065 7.559 14.341 1.00 0.00 C ATOM 1596 CG1 VAL B 21 -4.018 8.904 15.059 1.00 0.00 C ATOM 1597 CG2 VAL B 21 -4.688 6.501 15.239 1.00 0.00 C ATOM 0 H VAL B 21 -4.275 5.676 12.688 1.00 0.00 H new ATOM 0 HA VAL B 21 -5.895 7.858 13.252 1.00 0.00 H new ATOM 0 HB VAL B 21 -3.042 7.263 14.108 1.00 0.00 H new ATOM 0 HG11 VAL B 21 -3.461 8.800 15.990 1.00 0.00 H new ATOM 0 HG12 VAL B 21 -3.526 9.639 14.422 1.00 0.00 H new ATOM 0 HG13 VAL B 21 -5.033 9.235 15.278 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -4.125 6.437 16.170 1.00 0.00 H new ATOM 0 HG22 VAL B 21 -5.721 6.771 15.457 1.00 0.00 H new ATOM 0 HG23 VAL B 21 -4.665 5.535 14.734 1.00 0.00 H new ATOM 1607 N VAL B 22 -3.181 8.574 11.492 1.00 0.00 N ATOM 1608 CA VAL B 22 -2.568 9.596 10.646 1.00 0.00 C ATOM 1609 C VAL B 22 -3.444 9.913 9.432 1.00 0.00 C ATOM 1610 O VAL B 22 -3.700 11.087 9.136 1.00 0.00 O ATOM 1611 CB VAL B 22 -1.157 9.179 10.182 1.00 0.00 C ATOM 1612 CG1 VAL B 22 -0.602 10.178 9.177 1.00 0.00 C ATOM 1613 CG2 VAL B 22 -0.227 9.056 11.380 1.00 0.00 C ATOM 0 H VAL B 22 -2.689 7.680 11.499 1.00 0.00 H new ATOM 0 HA VAL B 22 -2.477 10.496 11.254 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.227 8.208 9.691 1.00 0.00 H new ATOM 0 HG11 VAL B 22 0.394 9.864 8.864 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -1.259 10.223 8.308 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -0.543 11.164 9.638 1.00 0.00 H new ATOM 0 HG21 VAL B 22 0.766 8.761 11.041 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -0.165 10.016 11.893 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -0.615 8.303 12.066 1.00 0.00 H new ATOM 1623 N LEU B 23 -3.891 8.874 8.729 1.00 0.00 N ATOM 1624 CA LEU B 23 -4.832 9.045 7.618 1.00 0.00 C ATOM 1625 C LEU B 23 -6.051 9.872 8.038 1.00 0.00 C ATOM 1626 O LEU B 23 -6.467 10.791 7.327 1.00 0.00 O ATOM 1627 CB LEU B 23 -5.288 7.680 7.089 1.00 0.00 C ATOM 1628 CG LEU B 23 -4.202 6.846 6.407 1.00 0.00 C ATOM 1629 CD1 LEU B 23 -4.743 5.475 6.036 1.00 0.00 C ATOM 1630 CD2 LEU B 23 -3.683 7.561 5.169 1.00 0.00 C ATOM 0 H LEU B 23 -3.619 7.907 8.906 1.00 0.00 H new ATOM 0 HA LEU B 23 -4.312 9.583 6.826 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -5.696 7.105 7.920 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -6.101 7.837 6.380 1.00 0.00 H new ATOM 0 HG LEU B 23 -3.375 6.717 7.106 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -3.959 4.893 5.552 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -5.074 4.958 6.937 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -5.585 5.589 5.353 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -2.911 6.955 4.695 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -4.503 7.717 4.468 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -3.262 8.525 5.455 1.00 0.00 H new ATOM 1642 N GLU B 24 -6.607 9.556 9.205 1.00 0.00 N ATOM 1643 CA GLU B 24 -7.783 10.255 9.716 1.00 0.00 C ATOM 1644 C GLU B 24 -7.409 11.643 10.236 1.00 0.00 C ATOM 1645 O GLU B 24 -8.205 12.581 10.170 1.00 0.00 O ATOM 1646 CB GLU B 24 -8.429 9.430 10.831 1.00 0.00 C ATOM 1647 CG GLU B 24 -9.765 9.972 11.309 1.00 0.00 C ATOM 1648 CD GLU B 24 -10.338 9.160 12.450 1.00 0.00 C ATOM 1649 OE1 GLU B 24 -11.025 8.151 12.185 1.00 0.00 O ATOM 1650 OE2 GLU B 24 -10.104 9.525 13.622 1.00 0.00 O ATOM 0 H GLU B 24 -6.260 8.817 9.817 1.00 0.00 H new ATOM 0 HA GLU B 24 -8.495 10.380 8.900 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -8.569 8.408 10.478 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -7.744 9.384 11.678 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -9.642 11.007 11.628 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -10.471 9.977 10.479 1.00 0.00 H new ATOM 1657 N LYS B 25 -6.187 11.763 10.735 1.00 0.00 N ATOM 1658 CA LYS B 25 -5.669 13.016 11.275 1.00 0.00 C ATOM 1659 C LYS B 25 -5.718 14.121 10.228 1.00 0.00 C ATOM 1660 O LYS B 25 -6.128 15.245 10.508 1.00 0.00 O ATOM 1661 CB LYS B 25 -4.225 12.812 11.741 1.00 0.00 C ATOM 1662 CG LYS B 25 -3.593 14.036 12.371 1.00 0.00 C ATOM 1663 CD LYS B 25 -2.103 13.831 12.573 1.00 0.00 C ATOM 1664 CE LYS B 25 -1.455 15.062 13.174 1.00 0.00 C ATOM 1665 NZ LYS B 25 0.027 14.959 13.197 1.00 0.00 N ATOM 0 H LYS B 25 -5.522 10.991 10.778 1.00 0.00 H new ATOM 0 HA LYS B 25 -6.292 13.314 12.118 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -4.200 11.994 12.461 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -3.621 12.504 10.888 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -3.762 14.906 11.736 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -4.069 14.244 13.329 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -1.937 12.974 13.226 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -1.633 13.599 11.617 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -1.748 15.942 12.601 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -1.824 15.206 14.190 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 0.417 15.696 13.819 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 0.304 14.023 13.554 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 0.399 15.086 12.234 1.00 0.00 H new ATOM 1679 N HIS B 26 -5.301 13.791 9.015 1.00 0.00 N ATOM 1680 CA HIS B 26 -5.320 14.753 7.921 1.00 0.00 C ATOM 1681 C HIS B 26 -6.636 14.654 7.159 1.00 0.00 C ATOM 1682 O HIS B 26 -6.870 15.403 6.210 1.00 0.00 O ATOM 1683 CB HIS B 26 -4.139 14.517 6.973 1.00 0.00 C ATOM 1684 CG HIS B 26 -2.796 14.821 7.576 1.00 0.00 C ATOM 1685 ND1 HIS B 26 -2.107 15.987 7.331 1.00 0.00 N ATOM 1686 CD2 HIS B 26 -2.012 14.091 8.403 1.00 0.00 C ATOM 1687 CE1 HIS B 26 -0.957 15.962 7.978 1.00 0.00 C ATOM 1688 NE2 HIS B 26 -0.874 14.823 8.637 1.00 0.00 N ATOM 0 H HIS B 26 -4.946 12.868 8.763 1.00 0.00 H new ATOM 0 HA HIS B 26 -5.229 15.755 8.340 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -4.151 13.477 6.647 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -4.273 15.132 6.083 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -2.239 13.114 8.804 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -0.210 16.742 7.969 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -0.092 14.533 9.225 1.00 0.00 H new ATOM 1697 N LYS B 27 -7.487 13.731 7.610 1.00 0.00 N ATOM 1698 CA LYS B 27 -8.776 13.446 6.980 1.00 0.00 C ATOM 1699 C LYS B 27 -8.618 13.269 5.475 1.00 0.00 C ATOM 1700 O LYS B 27 -9.030 14.125 4.687 1.00 0.00 O ATOM 1701 CB LYS B 27 -9.795 14.551 7.273 1.00 0.00 C ATOM 1702 CG LYS B 27 -11.227 14.150 6.943 1.00 0.00 C ATOM 1703 CD LYS B 27 -12.153 15.353 6.844 1.00 0.00 C ATOM 1704 CE LYS B 27 -12.105 15.998 5.460 1.00 0.00 C ATOM 1705 NZ LYS B 27 -10.749 16.494 5.104 1.00 0.00 N ATOM 0 H LYS B 27 -7.299 13.155 8.431 1.00 0.00 H new ATOM 0 HA LYS B 27 -9.148 12.514 7.406 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -9.734 14.822 8.327 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -9.532 15.440 6.700 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -11.241 13.604 6.000 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -11.598 13.470 7.710 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -13.175 15.044 7.065 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -11.873 16.089 7.597 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -12.429 15.272 4.714 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -12.811 16.828 5.426 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -10.803 17.054 4.229 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -10.384 17.090 5.874 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -10.111 15.686 4.959 1.00 0.00 H new ATOM 1719 N ALA B 28 -7.996 12.173 5.088 1.00 0.00 N ATOM 1720 CA ALA B 28 -7.742 11.900 3.686 1.00 0.00 C ATOM 1721 C ALA B 28 -8.827 11.009 3.092 1.00 0.00 C ATOM 1722 O ALA B 28 -9.094 9.920 3.602 1.00 0.00 O ATOM 1723 CB ALA B 28 -6.375 11.253 3.519 1.00 0.00 C ATOM 0 H ALA B 28 -7.656 11.454 5.727 1.00 0.00 H new ATOM 0 HA ALA B 28 -7.755 12.848 3.147 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -6.194 11.052 2.463 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -5.605 11.926 3.897 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -6.345 10.317 4.077 1.00 0.00 H new ATOM 1729 N PRO B 29 -9.489 11.475 2.020 1.00 0.00 N ATOM 1730 CA PRO B 29 -10.432 10.657 1.252 1.00 0.00 C ATOM 1731 C PRO B 29 -9.721 9.487 0.580 1.00 0.00 C ATOM 1732 O PRO B 29 -8.491 9.416 0.599 1.00 0.00 O ATOM 1733 CB PRO B 29 -10.985 11.624 0.197 1.00 0.00 C ATOM 1734 CG PRO B 29 -10.655 12.987 0.700 1.00 0.00 C ATOM 1735 CD PRO B 29 -9.389 12.841 1.489 1.00 0.00 C ATOM 0 HA PRO B 29 -11.209 10.220 1.879 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -10.531 11.444 -0.778 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -12.061 11.500 0.075 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -10.522 13.686 -0.126 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -11.460 13.379 1.322 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -8.506 12.967 0.863 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -9.323 13.581 2.287 1.00 0.00 H new ATOM 1743 N THR B 30 -10.485 8.589 -0.029 1.00 0.00 N ATOM 1744 CA THR B 30 -9.924 7.401 -0.660 1.00 0.00 C ATOM 1745 C THR B 30 -8.868 7.780 -1.701 1.00 0.00 C ATOM 1746 O THR B 30 -7.780 7.206 -1.737 1.00 0.00 O ATOM 1747 CB THR B 30 -11.034 6.573 -1.332 1.00 0.00 C ATOM 1748 OG1 THR B 30 -12.154 6.463 -0.443 1.00 0.00 O ATOM 1749 CG2 THR B 30 -10.535 5.182 -1.697 1.00 0.00 C ATOM 0 H THR B 30 -11.500 8.662 -0.099 1.00 0.00 H new ATOM 0 HA THR B 30 -9.450 6.803 0.119 1.00 0.00 H new ATOM 0 HB THR B 30 -11.335 7.081 -2.248 1.00 0.00 H new ATOM 0 HG1 THR B 30 -12.957 6.232 -0.955 1.00 0.00 H new ATOM 0 HG21 THR B 30 -11.340 4.619 -2.170 1.00 0.00 H new ATOM 0 HG22 THR B 30 -9.696 5.266 -2.388 1.00 0.00 H new ATOM 0 HG23 THR B 30 -10.211 4.663 -0.795 1.00 0.00 H new ATOM 1757 N ASP B 31 -9.193 8.775 -2.519 1.00 0.00 N ATOM 1758 CA ASP B 31 -8.286 9.258 -3.558 1.00 0.00 C ATOM 1759 C ASP B 31 -6.958 9.719 -2.958 1.00 0.00 C ATOM 1760 O ASP B 31 -5.881 9.414 -3.475 1.00 0.00 O ATOM 1761 CB ASP B 31 -8.919 10.432 -4.312 1.00 0.00 C ATOM 1762 CG ASP B 31 -10.279 10.110 -4.895 1.00 0.00 C ATOM 1763 OD1 ASP B 31 -11.275 10.135 -4.139 1.00 0.00 O ATOM 1764 OD2 ASP B 31 -10.364 9.855 -6.109 1.00 0.00 O ATOM 0 H ASP B 31 -10.085 9.268 -2.483 1.00 0.00 H new ATOM 0 HA ASP B 31 -8.101 8.431 -4.244 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -9.014 11.280 -3.634 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -8.251 10.740 -5.116 1.00 0.00 H new ATOM 1769 N LEU B 32 -7.052 10.444 -1.852 1.00 0.00 N ATOM 1770 CA LEU B 32 -5.894 11.078 -1.240 1.00 0.00 C ATOM 1771 C LEU B 32 -5.088 10.075 -0.417 1.00 0.00 C ATOM 1772 O LEU B 32 -3.858 10.120 -0.402 1.00 0.00 O ATOM 1773 CB LEU B 32 -6.357 12.251 -0.369 1.00 0.00 C ATOM 1774 CG LEU B 32 -5.252 13.163 0.171 1.00 0.00 C ATOM 1775 CD1 LEU B 32 -4.375 13.672 -0.963 1.00 0.00 C ATOM 1776 CD2 LEU B 32 -5.865 14.326 0.935 1.00 0.00 C ATOM 0 H LEU B 32 -7.928 10.608 -1.356 1.00 0.00 H new ATOM 0 HA LEU B 32 -5.240 11.453 -2.027 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -7.050 12.859 -0.951 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -6.916 11.851 0.477 1.00 0.00 H new ATOM 0 HG LEU B 32 -4.625 12.587 0.852 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -3.596 14.318 -0.559 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -3.916 12.827 -1.475 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -4.984 14.236 -1.669 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -5.072 14.970 1.316 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -6.510 14.900 0.269 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -6.454 13.944 1.769 1.00 0.00 H new ATOM 1788 N SER B 33 -5.781 9.163 0.251 1.00 0.00 N ATOM 1789 CA SER B 33 -5.117 8.153 1.065 1.00 0.00 C ATOM 1790 C SER B 33 -4.372 7.155 0.185 1.00 0.00 C ATOM 1791 O SER B 33 -3.232 6.797 0.477 1.00 0.00 O ATOM 1792 CB SER B 33 -6.126 7.439 1.968 1.00 0.00 C ATOM 1793 OG SER B 33 -7.273 7.042 1.241 1.00 0.00 O ATOM 0 H SER B 33 -6.799 9.101 0.246 1.00 0.00 H new ATOM 0 HA SER B 33 -4.386 8.652 1.702 1.00 0.00 H new ATOM 0 HB2 SER B 33 -5.658 6.564 2.420 1.00 0.00 H new ATOM 0 HB3 SER B 33 -6.420 8.100 2.783 1.00 0.00 H new ATOM 0 HG SER B 33 -7.851 7.819 1.092 1.00 0.00 H new ATOM 1799 N LEU B 34 -5.008 6.727 -0.905 1.00 0.00 N ATOM 1800 CA LEU B 34 -4.370 5.824 -1.859 1.00 0.00 C ATOM 1801 C LEU B 34 -3.145 6.484 -2.482 1.00 0.00 C ATOM 1802 O LEU B 34 -2.133 5.828 -2.721 1.00 0.00 O ATOM 1803 CB LEU B 34 -5.352 5.404 -2.956 1.00 0.00 C ATOM 1804 CG LEU B 34 -6.517 4.523 -2.496 1.00 0.00 C ATOM 1805 CD1 LEU B 34 -7.455 4.239 -3.658 1.00 0.00 C ATOM 1806 CD2 LEU B 34 -6.006 3.221 -1.897 1.00 0.00 C ATOM 0 H LEU B 34 -5.963 6.991 -1.148 1.00 0.00 H new ATOM 0 HA LEU B 34 -4.055 4.932 -1.317 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -5.760 6.303 -3.418 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -4.799 4.871 -3.729 1.00 0.00 H new ATOM 0 HG LEU B 34 -7.068 5.060 -1.724 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -8.278 3.612 -3.316 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -7.851 5.178 -4.044 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.910 3.723 -4.448 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -6.851 2.611 -1.577 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.429 2.678 -2.646 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.371 3.440 -1.038 1.00 0.00 H new ATOM 1818 N MET B 35 -3.241 7.785 -2.744 1.00 0.00 N ATOM 1819 CA MET B 35 -2.106 8.546 -3.256 1.00 0.00 C ATOM 1820 C MET B 35 -0.956 8.529 -2.251 1.00 0.00 C ATOM 1821 O MET B 35 0.195 8.274 -2.611 1.00 0.00 O ATOM 1822 CB MET B 35 -2.518 9.989 -3.560 1.00 0.00 C ATOM 1823 CG MET B 35 -1.365 10.873 -4.020 1.00 0.00 C ATOM 1824 SD MET B 35 -0.572 10.273 -5.527 1.00 0.00 S ATOM 1825 CE MET B 35 -1.929 10.387 -6.693 1.00 0.00 C ATOM 0 H MET B 35 -4.091 8.333 -2.610 1.00 0.00 H new ATOM 0 HA MET B 35 -1.770 8.078 -4.181 1.00 0.00 H new ATOM 0 HB2 MET B 35 -3.289 9.982 -4.331 1.00 0.00 H new ATOM 0 HB3 MET B 35 -2.964 10.426 -2.667 1.00 0.00 H new ATOM 0 HG2 MET B 35 -1.735 11.884 -4.189 1.00 0.00 H new ATOM 0 HG3 MET B 35 -0.622 10.934 -3.225 1.00 0.00 H new ATOM 0 HE1 MET B 35 -1.539 10.346 -7.710 1.00 0.00 H new ATOM 0 HE2 MET B 35 -2.616 9.556 -6.534 1.00 0.00 H new ATOM 0 HE3 MET B 35 -2.458 11.328 -6.545 1.00 0.00 H new ATOM 1835 N ALA B 36 -1.277 8.793 -0.990 1.00 0.00 N ATOM 1836 CA ALA B 36 -0.278 8.782 0.069 1.00 0.00 C ATOM 1837 C ALA B 36 0.351 7.402 0.205 1.00 0.00 C ATOM 1838 O ALA B 36 1.567 7.251 0.076 1.00 0.00 O ATOM 1839 CB ALA B 36 -0.897 9.213 1.387 1.00 0.00 C ATOM 0 H ALA B 36 -2.222 9.017 -0.677 1.00 0.00 H new ATOM 0 HA ALA B 36 0.507 9.491 -0.196 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -0.137 9.199 2.168 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -1.297 10.222 1.288 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -1.702 8.528 1.652 1.00 0.00 H new ATOM 1845 N LEU B 37 -0.489 6.401 0.451 1.00 0.00 N ATOM 1846 CA LEU B 37 -0.035 5.022 0.618 1.00 0.00 C ATOM 1847 C LEU B 37 0.766 4.542 -0.590 1.00 0.00 C ATOM 1848 O LEU B 37 1.782 3.873 -0.432 1.00 0.00 O ATOM 1849 CB LEU B 37 -1.225 4.090 0.841 1.00 0.00 C ATOM 1850 CG LEU B 37 -2.100 4.425 2.048 1.00 0.00 C ATOM 1851 CD1 LEU B 37 -3.177 3.373 2.222 1.00 0.00 C ATOM 1852 CD2 LEU B 37 -1.261 4.533 3.307 1.00 0.00 C ATOM 0 H LEU B 37 -1.498 6.520 0.540 1.00 0.00 H new ATOM 0 HA LEU B 37 0.615 5.000 1.492 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -1.848 4.103 -0.053 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -0.852 3.072 0.955 1.00 0.00 H new ATOM 0 HG LEU B 37 -2.576 5.390 1.871 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -3.794 3.623 3.085 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -3.800 3.339 1.328 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -2.713 2.399 2.378 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -1.904 4.772 4.154 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -0.757 3.584 3.491 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -0.518 5.320 3.182 1.00 0.00 H new ATOM 1864 N GLY B 38 0.305 4.888 -1.790 1.00 0.00 N ATOM 1865 CA GLY B 38 0.995 4.481 -3.003 1.00 0.00 C ATOM 1866 C GLY B 38 2.445 4.919 -3.018 1.00 0.00 C ATOM 1867 O GLY B 38 3.340 4.145 -3.364 1.00 0.00 O ATOM 0 H GLY B 38 -0.536 5.444 -1.944 1.00 0.00 H new ATOM 0 HA2 GLY B 38 0.945 3.396 -3.100 1.00 0.00 H new ATOM 0 HA3 GLY B 38 0.482 4.902 -3.868 1.00 0.00 H new ATOM 1871 N ASN B 39 2.683 6.157 -2.623 1.00 0.00 N ATOM 1872 CA ASN B 39 4.037 6.676 -2.555 1.00 0.00 C ATOM 1873 C ASN B 39 4.776 6.083 -1.361 1.00 0.00 C ATOM 1874 O ASN B 39 5.987 5.891 -1.412 1.00 0.00 O ATOM 1875 CB ASN B 39 4.037 8.203 -2.473 1.00 0.00 C ATOM 1876 CG ASN B 39 3.692 8.864 -3.796 1.00 0.00 C ATOM 1877 OD1 ASN B 39 4.571 9.142 -4.610 1.00 0.00 O ATOM 1878 ND2 ASN B 39 2.412 9.126 -4.022 1.00 0.00 N ATOM 0 H ASN B 39 1.959 6.820 -2.345 1.00 0.00 H new ATOM 0 HA ASN B 39 4.555 6.385 -3.469 1.00 0.00 H new ATOM 0 HB2 ASN B 39 3.321 8.521 -1.715 1.00 0.00 H new ATOM 0 HB3 ASN B 39 5.019 8.545 -2.147 1.00 0.00 H new ATOM 0 HD21 ASN B 39 2.129 9.572 -4.894 1.00 0.00 H new ATOM 0 HD22 ASN B 39 1.710 8.881 -3.323 1.00 0.00 H new ATOM 1885 N CYS B 40 4.039 5.781 -0.295 1.00 0.00 N ATOM 1886 CA CYS B 40 4.623 5.161 0.891 1.00 0.00 C ATOM 1887 C CYS B 40 5.203 3.791 0.553 1.00 0.00 C ATOM 1888 O CYS B 40 6.360 3.505 0.866 1.00 0.00 O ATOM 1889 CB CYS B 40 3.575 5.028 2.002 1.00 0.00 C ATOM 1890 SG CYS B 40 2.938 6.609 2.602 1.00 0.00 S ATOM 0 H CYS B 40 3.036 5.956 -0.228 1.00 0.00 H new ATOM 0 HA CYS B 40 5.429 5.803 1.245 1.00 0.00 H new ATOM 0 HB2 CYS B 40 2.743 4.429 1.633 1.00 0.00 H new ATOM 0 HB3 CYS B 40 4.014 4.483 2.838 1.00 0.00 H new ATOM 0 HG CYS B 40 2.410 7.268 1.613 1.00 0.00 H new ATOM 1896 N VAL B 41 4.400 2.961 -0.109 1.00 0.00 N ATOM 1897 CA VAL B 41 4.819 1.614 -0.483 1.00 0.00 C ATOM 1898 C VAL B 41 6.071 1.658 -1.357 1.00 0.00 C ATOM 1899 O VAL B 41 7.059 0.971 -1.086 1.00 0.00 O ATOM 1900 CB VAL B 41 3.708 0.855 -1.246 1.00 0.00 C ATOM 1901 CG1 VAL B 41 4.145 -0.570 -1.555 1.00 0.00 C ATOM 1902 CG2 VAL B 41 2.401 0.852 -0.472 1.00 0.00 C ATOM 0 H VAL B 41 3.451 3.200 -0.398 1.00 0.00 H new ATOM 0 HA VAL B 41 5.032 1.085 0.446 1.00 0.00 H new ATOM 0 HB VAL B 41 3.538 1.381 -2.186 1.00 0.00 H new ATOM 0 HG11 VAL B 41 3.349 -1.086 -2.092 1.00 0.00 H new ATOM 0 HG12 VAL B 41 5.044 -0.549 -2.171 1.00 0.00 H new ATOM 0 HG13 VAL B 41 4.355 -1.096 -0.624 1.00 0.00 H new ATOM 0 HG21 VAL B 41 1.644 0.310 -1.039 1.00 0.00 H new ATOM 0 HG22 VAL B 41 2.550 0.366 0.492 1.00 0.00 H new ATOM 0 HG23 VAL B 41 2.070 1.878 -0.313 1.00 0.00 H new ATOM 1912 N THR B 42 6.035 2.500 -2.383 1.00 0.00 N ATOM 1913 CA THR B 42 7.121 2.570 -3.351 1.00 0.00 C ATOM 1914 C THR B 42 8.375 3.190 -2.727 1.00 0.00 C ATOM 1915 O THR B 42 9.501 2.815 -3.056 1.00 0.00 O ATOM 1916 CB THR B 42 6.696 3.382 -4.592 1.00 0.00 C ATOM 1917 OG1 THR B 42 5.335 3.077 -4.922 1.00 0.00 O ATOM 1918 CG2 THR B 42 7.577 3.052 -5.787 1.00 0.00 C ATOM 0 H THR B 42 5.265 3.144 -2.565 1.00 0.00 H new ATOM 0 HA THR B 42 7.355 1.551 -3.660 1.00 0.00 H new ATOM 0 HB THR B 42 6.801 4.441 -4.358 1.00 0.00 H new ATOM 0 HG1 THR B 42 4.735 3.631 -4.380 1.00 0.00 H new ATOM 0 HG21 THR B 42 7.256 3.638 -6.648 1.00 0.00 H new ATOM 0 HG22 THR B 42 8.614 3.291 -5.552 1.00 0.00 H new ATOM 0 HG23 THR B 42 7.493 1.990 -6.019 1.00 0.00 H new ATOM 1926 N HIS B 43 8.177 4.123 -1.801 1.00 0.00 N ATOM 1927 CA HIS B 43 9.295 4.807 -1.162 1.00 0.00 C ATOM 1928 C HIS B 43 10.037 3.866 -0.215 1.00 0.00 C ATOM 1929 O HIS B 43 11.244 3.997 -0.025 1.00 0.00 O ATOM 1930 CB HIS B 43 8.813 6.052 -0.409 1.00 0.00 C ATOM 1931 CG HIS B 43 9.927 6.909 0.114 1.00 0.00 C ATOM 1932 ND1 HIS B 43 10.537 7.892 -0.632 1.00 0.00 N ATOM 1933 CD2 HIS B 43 10.553 6.912 1.313 1.00 0.00 C ATOM 1934 CE1 HIS B 43 11.491 8.456 0.082 1.00 0.00 C ATOM 1935 NE2 HIS B 43 11.527 7.880 1.270 1.00 0.00 N ATOM 0 H HIS B 43 7.257 4.422 -1.478 1.00 0.00 H new ATOM 0 HA HIS B 43 9.986 5.124 -1.943 1.00 0.00 H new ATOM 0 HB2 HIS B 43 8.189 6.649 -1.074 1.00 0.00 H new ATOM 0 HB3 HIS B 43 8.184 5.741 0.425 1.00 0.00 H new ATOM 0 HD2 HIS B 43 10.328 6.270 2.152 1.00 0.00 H new ATOM 0 HE1 HIS B 43 12.136 9.256 -0.250 1.00 0.00 H new ATOM 0 HE2 HIS B 43 12.169 8.114 2.027 1.00 0.00 H new ATOM 1944 N LEU B 44 9.315 2.919 0.379 1.00 0.00 N ATOM 1945 CA LEU B 44 9.936 1.928 1.251 1.00 0.00 C ATOM 1946 C LEU B 44 10.805 0.981 0.436 1.00 0.00 C ATOM 1947 O LEU B 44 11.886 0.579 0.875 1.00 0.00 O ATOM 1948 CB LEU B 44 8.876 1.138 2.022 1.00 0.00 C ATOM 1949 CG LEU B 44 8.079 1.948 3.046 1.00 0.00 C ATOM 1950 CD1 LEU B 44 7.043 1.070 3.723 1.00 0.00 C ATOM 1951 CD2 LEU B 44 9.008 2.567 4.079 1.00 0.00 C ATOM 0 H LEU B 44 8.306 2.818 0.273 1.00 0.00 H new ATOM 0 HA LEU B 44 10.563 2.454 1.972 1.00 0.00 H new ATOM 0 HB2 LEU B 44 8.180 0.701 1.307 1.00 0.00 H new ATOM 0 HB3 LEU B 44 9.365 0.311 2.537 1.00 0.00 H new ATOM 0 HG LEU B 44 7.563 2.753 2.523 1.00 0.00 H new ATOM 0 HD11 LEU B 44 6.484 1.661 4.449 1.00 0.00 H new ATOM 0 HD12 LEU B 44 6.358 0.672 2.974 1.00 0.00 H new ATOM 0 HD13 LEU B 44 7.542 0.246 4.233 1.00 0.00 H new ATOM 0 HD21 LEU B 44 8.422 3.139 4.799 1.00 0.00 H new ATOM 0 HD22 LEU B 44 9.551 1.778 4.599 1.00 0.00 H new ATOM 0 HD23 LEU B 44 9.717 3.228 3.581 1.00 0.00 H new ATOM 1963 N LEU B 45 10.328 0.644 -0.757 1.00 0.00 N ATOM 1964 CA LEU B 45 11.080 -0.196 -1.680 1.00 0.00 C ATOM 1965 C LEU B 45 12.411 0.449 -2.032 1.00 0.00 C ATOM 1966 O LEU B 45 13.468 -0.146 -1.837 1.00 0.00 O ATOM 1967 CB LEU B 45 10.270 -0.441 -2.956 1.00 0.00 C ATOM 1968 CG LEU B 45 9.068 -1.370 -2.794 1.00 0.00 C ATOM 1969 CD1 LEU B 45 8.230 -1.377 -4.060 1.00 0.00 C ATOM 1970 CD2 LEU B 45 9.533 -2.779 -2.456 1.00 0.00 C ATOM 0 H LEU B 45 9.418 0.942 -1.109 1.00 0.00 H new ATOM 0 HA LEU B 45 11.273 -1.150 -1.190 1.00 0.00 H new ATOM 0 HB2 LEU B 45 9.919 0.519 -3.334 1.00 0.00 H new ATOM 0 HB3 LEU B 45 10.933 -0.859 -3.714 1.00 0.00 H new ATOM 0 HG LEU B 45 8.451 -1.002 -1.974 1.00 0.00 H new ATOM 0 HD11 LEU B 45 7.378 -2.044 -3.928 1.00 0.00 H new ATOM 0 HD12 LEU B 45 7.873 -0.368 -4.266 1.00 0.00 H new ATOM 0 HD13 LEU B 45 8.837 -1.725 -4.896 1.00 0.00 H new ATOM 0 HD21 LEU B 45 8.667 -3.431 -2.343 1.00 0.00 H new ATOM 0 HD22 LEU B 45 10.168 -3.155 -3.258 1.00 0.00 H new ATOM 0 HD23 LEU B 45 10.098 -2.762 -1.524 1.00 0.00 H new ATOM 1982 N GLU B 46 12.350 1.679 -2.522 1.00 0.00 N ATOM 1983 CA GLU B 46 13.542 2.409 -2.951 1.00 0.00 C ATOM 1984 C GLU B 46 14.452 2.752 -1.771 1.00 0.00 C ATOM 1985 O GLU B 46 15.562 3.258 -1.956 1.00 0.00 O ATOM 1986 CB GLU B 46 13.131 3.693 -3.672 1.00 0.00 C ATOM 1987 CG GLU B 46 12.383 3.453 -4.973 1.00 0.00 C ATOM 1988 CD GLU B 46 13.278 2.936 -6.079 1.00 0.00 C ATOM 1989 OE1 GLU B 46 14.374 3.506 -6.275 1.00 0.00 O ATOM 1990 OE2 GLU B 46 12.901 1.945 -6.744 1.00 0.00 O ATOM 0 H GLU B 46 11.480 2.199 -2.634 1.00 0.00 H new ATOM 0 HA GLU B 46 14.101 1.764 -3.629 1.00 0.00 H new ATOM 0 HB2 GLU B 46 12.504 4.287 -3.007 1.00 0.00 H new ATOM 0 HB3 GLU B 46 14.023 4.283 -3.880 1.00 0.00 H new ATOM 0 HG2 GLU B 46 11.580 2.737 -4.798 1.00 0.00 H new ATOM 0 HG3 GLU B 46 11.916 4.384 -5.295 1.00 0.00 H new ATOM 1997 N ARG B 47 13.986 2.472 -0.562 1.00 0.00 N ATOM 1998 CA ARG B 47 14.729 2.811 0.640 1.00 0.00 C ATOM 1999 C ARG B 47 15.540 1.612 1.121 1.00 0.00 C ATOM 2000 O ARG B 47 16.768 1.663 1.169 1.00 0.00 O ATOM 2001 CB ARG B 47 13.764 3.273 1.740 1.00 0.00 C ATOM 2002 CG ARG B 47 14.343 4.293 2.714 1.00 0.00 C ATOM 2003 CD ARG B 47 15.473 3.724 3.557 1.00 0.00 C ATOM 2004 NE ARG B 47 15.928 4.679 4.565 1.00 0.00 N ATOM 2005 CZ ARG B 47 17.153 4.688 5.087 1.00 0.00 C ATOM 2006 NH1 ARG B 47 18.040 3.770 4.737 1.00 0.00 N ATOM 2007 NH2 ARG B 47 17.482 5.612 5.979 1.00 0.00 N ATOM 0 H ARG B 47 13.094 2.009 -0.389 1.00 0.00 H new ATOM 0 HA ARG B 47 15.417 3.624 0.408 1.00 0.00 H new ATOM 0 HB2 ARG B 47 12.879 3.702 1.270 1.00 0.00 H new ATOM 0 HB3 ARG B 47 13.434 2.400 2.304 1.00 0.00 H new ATOM 0 HG2 ARG B 47 14.710 5.154 2.156 1.00 0.00 H new ATOM 0 HG3 ARG B 47 13.551 4.652 3.371 1.00 0.00 H new ATOM 0 HD2 ARG B 47 15.137 2.810 4.047 1.00 0.00 H new ATOM 0 HD3 ARG B 47 16.307 3.451 2.911 1.00 0.00 H new ATOM 0 HE ARG B 47 15.265 5.383 4.889 1.00 0.00 H new ATOM 0 HH11 ARG B 47 17.787 3.048 4.062 1.00 0.00 H new ATOM 0 HH12 ARG B 47 18.976 3.785 5.142 1.00 0.00 H new ATOM 0 HH21 ARG B 47 16.798 6.313 6.263 1.00 0.00 H new ATOM 0 HH22 ARG B 47 18.419 5.622 6.381 1.00 0.00 H new ATOM 2021 N LYS B 48 14.853 0.528 1.460 1.00 0.00 N ATOM 2022 CA LYS B 48 15.509 -0.609 2.099 1.00 0.00 C ATOM 2023 C LYS B 48 15.707 -1.784 1.143 1.00 0.00 C ATOM 2024 O LYS B 48 16.607 -2.602 1.337 1.00 0.00 O ATOM 2025 CB LYS B 48 14.707 -1.057 3.325 1.00 0.00 C ATOM 2026 CG LYS B 48 14.660 -0.012 4.429 1.00 0.00 C ATOM 2027 CD LYS B 48 13.884 -0.501 5.642 1.00 0.00 C ATOM 2028 CE LYS B 48 13.968 0.498 6.787 1.00 0.00 C ATOM 2029 NZ LYS B 48 13.232 0.036 7.995 1.00 0.00 N ATOM 0 H LYS B 48 13.852 0.411 1.306 1.00 0.00 H new ATOM 0 HA LYS B 48 16.500 -0.277 2.408 1.00 0.00 H new ATOM 0 HB2 LYS B 48 13.689 -1.296 3.017 1.00 0.00 H new ATOM 0 HB3 LYS B 48 15.144 -1.974 3.721 1.00 0.00 H new ATOM 0 HG2 LYS B 48 15.676 0.246 4.728 1.00 0.00 H new ATOM 0 HG3 LYS B 48 14.199 0.899 4.047 1.00 0.00 H new ATOM 0 HD2 LYS B 48 12.841 -0.660 5.370 1.00 0.00 H new ATOM 0 HD3 LYS B 48 14.279 -1.464 5.966 1.00 0.00 H new ATOM 0 HE2 LYS B 48 15.014 0.666 7.044 1.00 0.00 H new ATOM 0 HE3 LYS B 48 13.562 1.456 6.461 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 13.318 0.749 8.747 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 12.228 -0.099 7.759 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 13.635 -0.865 8.324 1.00 0.00 H new ATOM 2043 N VAL B 49 14.891 -1.859 0.106 1.00 0.00 N ATOM 2044 CA VAL B 49 14.923 -3.001 -0.800 1.00 0.00 C ATOM 2045 C VAL B 49 15.872 -2.745 -1.973 1.00 0.00 C ATOM 2046 O VAL B 49 15.826 -1.687 -2.593 1.00 0.00 O ATOM 2047 CB VAL B 49 13.509 -3.320 -1.338 1.00 0.00 C ATOM 2048 CG1 VAL B 49 13.519 -4.579 -2.191 1.00 0.00 C ATOM 2049 CG2 VAL B 49 12.518 -3.457 -0.194 1.00 0.00 C ATOM 0 H VAL B 49 14.200 -1.148 -0.132 1.00 0.00 H new ATOM 0 HA VAL B 49 15.287 -3.857 -0.233 1.00 0.00 H new ATOM 0 HB VAL B 49 13.195 -2.488 -1.969 1.00 0.00 H new ATOM 0 HG11 VAL B 49 12.512 -4.779 -2.556 1.00 0.00 H new ATOM 0 HG12 VAL B 49 14.191 -4.439 -3.038 1.00 0.00 H new ATOM 0 HG13 VAL B 49 13.862 -5.422 -1.591 1.00 0.00 H new ATOM 0 HG21 VAL B 49 11.529 -3.681 -0.594 1.00 0.00 H new ATOM 0 HG22 VAL B 49 12.834 -4.264 0.466 1.00 0.00 H new ATOM 0 HG23 VAL B 49 12.479 -2.523 0.367 1.00 0.00 H new ATOM 2059 N PRO B 50 16.767 -3.699 -2.274 1.00 0.00 N ATOM 2060 CA PRO B 50 17.665 -3.609 -3.431 1.00 0.00 C ATOM 2061 C PRO B 50 16.907 -3.714 -4.756 1.00 0.00 C ATOM 2062 O PRO B 50 15.980 -4.503 -4.877 1.00 0.00 O ATOM 2063 CB PRO B 50 18.611 -4.809 -3.261 1.00 0.00 C ATOM 2064 CG PRO B 50 18.411 -5.276 -1.858 1.00 0.00 C ATOM 2065 CD PRO B 50 16.995 -4.928 -1.505 1.00 0.00 C ATOM 0 HA PRO B 50 18.183 -2.651 -3.466 1.00 0.00 H new ATOM 0 HB2 PRO B 50 18.376 -5.598 -3.975 1.00 0.00 H new ATOM 0 HB3 PRO B 50 19.647 -4.520 -3.435 1.00 0.00 H new ATOM 0 HG2 PRO B 50 18.581 -6.350 -1.776 1.00 0.00 H new ATOM 0 HG3 PRO B 50 19.113 -4.789 -1.181 1.00 0.00 H new ATOM 0 HD2 PRO B 50 16.300 -5.719 -1.789 1.00 0.00 H new ATOM 0 HD3 PRO B 50 16.872 -4.765 -0.434 1.00 0.00 H new ATOM 2073 N SER B 51 17.316 -2.897 -5.728 1.00 0.00 N ATOM 2074 CA SER B 51 16.709 -2.828 -7.066 1.00 0.00 C ATOM 2075 C SER B 51 16.310 -4.192 -7.652 1.00 0.00 C ATOM 2076 O SER B 51 15.267 -4.302 -8.298 1.00 0.00 O ATOM 2077 CB SER B 51 17.679 -2.130 -8.021 1.00 0.00 C ATOM 2078 OG SER B 51 18.126 -0.899 -7.478 1.00 0.00 O ATOM 0 H SER B 51 18.095 -2.249 -5.608 1.00 0.00 H new ATOM 0 HA SER B 51 15.782 -2.265 -6.953 1.00 0.00 H new ATOM 0 HB2 SER B 51 18.534 -2.778 -8.215 1.00 0.00 H new ATOM 0 HB3 SER B 51 17.189 -1.953 -8.978 1.00 0.00 H new ATOM 0 HG SER B 51 18.746 -0.471 -8.105 1.00 0.00 H new ATOM 2084 N GLU B 52 17.123 -5.221 -7.444 1.00 0.00 N ATOM 2085 CA GLU B 52 16.817 -6.540 -7.993 1.00 0.00 C ATOM 2086 C GLU B 52 15.537 -7.120 -7.392 1.00 0.00 C ATOM 2087 O GLU B 52 14.747 -7.755 -8.089 1.00 0.00 O ATOM 2088 CB GLU B 52 17.983 -7.500 -7.776 1.00 0.00 C ATOM 2089 CG GLU B 52 19.233 -7.116 -8.544 1.00 0.00 C ATOM 2090 CD GLU B 52 20.300 -8.183 -8.470 1.00 0.00 C ATOM 2091 OE1 GLU B 52 21.041 -8.221 -7.468 1.00 0.00 O ATOM 2092 OE2 GLU B 52 20.383 -9.006 -9.407 1.00 0.00 O ATOM 0 H GLU B 52 17.989 -5.172 -6.907 1.00 0.00 H new ATOM 0 HA GLU B 52 16.657 -6.416 -9.064 1.00 0.00 H new ATOM 0 HB2 GLU B 52 18.217 -7.540 -6.712 1.00 0.00 H new ATOM 0 HB3 GLU B 52 17.677 -8.503 -8.073 1.00 0.00 H new ATOM 0 HG2 GLU B 52 18.975 -6.935 -9.587 1.00 0.00 H new ATOM 0 HG3 GLU B 52 19.628 -6.181 -8.147 1.00 0.00 H new ATOM 2099 N SER B 53 15.323 -6.887 -6.107 1.00 0.00 N ATOM 2100 CA SER B 53 14.121 -7.368 -5.443 1.00 0.00 C ATOM 2101 C SER B 53 13.073 -6.254 -5.399 1.00 0.00 C ATOM 2102 O SER B 53 11.906 -6.500 -5.125 1.00 0.00 O ATOM 2103 CB SER B 53 14.458 -7.848 -4.029 1.00 0.00 C ATOM 2104 OG SER B 53 13.428 -8.663 -3.494 1.00 0.00 O ATOM 0 H SER B 53 15.963 -6.370 -5.504 1.00 0.00 H new ATOM 0 HA SER B 53 13.713 -8.209 -6.003 1.00 0.00 H new ATOM 0 HB2 SER B 53 15.393 -8.408 -4.048 1.00 0.00 H new ATOM 0 HB3 SER B 53 14.615 -6.987 -3.380 1.00 0.00 H new ATOM 0 HG SER B 53 13.676 -8.953 -2.591 1.00 0.00 H new ATOM 2110 N ARG B 54 13.521 -5.037 -5.693 1.00 0.00 N ATOM 2111 CA ARG B 54 12.683 -3.834 -5.711 1.00 0.00 C ATOM 2112 C ARG B 54 11.338 -4.100 -6.392 1.00 0.00 C ATOM 2113 O ARG B 54 10.275 -4.061 -5.759 1.00 0.00 O ATOM 2114 CB ARG B 54 13.448 -2.736 -6.464 1.00 0.00 C ATOM 2115 CG ARG B 54 12.886 -1.332 -6.342 1.00 0.00 C ATOM 2116 CD ARG B 54 13.259 -0.671 -5.023 1.00 0.00 C ATOM 2117 NE ARG B 54 14.699 -0.648 -4.748 1.00 0.00 N ATOM 2118 CZ ARG B 54 15.610 0.046 -5.438 1.00 0.00 C ATOM 2119 NH1 ARG B 54 15.265 0.770 -6.491 1.00 0.00 N ATOM 2120 NH2 ARG B 54 16.876 0.044 -5.039 1.00 0.00 N ATOM 0 H ARG B 54 14.495 -4.852 -5.931 1.00 0.00 H new ATOM 0 HA ARG B 54 12.471 -3.524 -4.688 1.00 0.00 H new ATOM 0 HB2 ARG B 54 14.477 -2.727 -6.106 1.00 0.00 H new ATOM 0 HB3 ARG B 54 13.481 -3.003 -7.520 1.00 0.00 H new ATOM 0 HG2 ARG B 54 13.254 -0.723 -7.168 1.00 0.00 H new ATOM 0 HG3 ARG B 54 11.800 -1.369 -6.433 1.00 0.00 H new ATOM 0 HD2 ARG B 54 12.884 0.353 -5.024 1.00 0.00 H new ATOM 0 HD3 ARG B 54 12.754 -1.195 -4.211 1.00 0.00 H new ATOM 0 HE ARG B 54 15.034 -1.209 -3.964 1.00 0.00 H new ATOM 0 HH11 ARG B 54 14.290 0.805 -6.788 1.00 0.00 H new ATOM 0 HH12 ARG B 54 15.974 1.293 -7.005 1.00 0.00 H new ATOM 0 HH21 ARG B 54 17.149 -0.485 -4.211 1.00 0.00 H new ATOM 0 HH22 ARG B 54 17.576 0.571 -5.561 1.00 0.00 H new ATOM 2134 N GLN B 55 11.396 -4.412 -7.677 1.00 0.00 N ATOM 2135 CA GLN B 55 10.191 -4.633 -8.462 1.00 0.00 C ATOM 2136 C GLN B 55 9.554 -5.980 -8.118 1.00 0.00 C ATOM 2137 O GLN B 55 8.336 -6.134 -8.187 1.00 0.00 O ATOM 2138 CB GLN B 55 10.520 -4.567 -9.955 1.00 0.00 C ATOM 2139 CG GLN B 55 9.293 -4.603 -10.853 1.00 0.00 C ATOM 2140 CD GLN B 55 9.641 -4.608 -12.329 1.00 0.00 C ATOM 2141 OE1 GLN B 55 8.909 -5.166 -13.146 1.00 0.00 O ATOM 2142 NE2 GLN B 55 10.753 -3.984 -12.687 1.00 0.00 N ATOM 0 H GLN B 55 12.266 -4.518 -8.199 1.00 0.00 H new ATOM 0 HA GLN B 55 9.474 -3.848 -8.220 1.00 0.00 H new ATOM 0 HB2 GLN B 55 11.079 -3.653 -10.155 1.00 0.00 H new ATOM 0 HB3 GLN B 55 11.172 -5.402 -10.212 1.00 0.00 H new ATOM 0 HG2 GLN B 55 8.705 -5.491 -10.621 1.00 0.00 H new ATOM 0 HG3 GLN B 55 8.665 -3.739 -10.636 1.00 0.00 H new ATOM 0 HE21 GLN B 55 11.335 -3.533 -11.981 1.00 0.00 H new ATOM 0 HE22 GLN B 55 11.028 -3.955 -13.669 1.00 0.00 H new ATOM 2151 N ALA B 56 10.381 -6.946 -7.728 1.00 0.00 N ATOM 2152 CA ALA B 56 9.895 -8.285 -7.406 1.00 0.00 C ATOM 2153 C ALA B 56 9.041 -8.270 -6.143 1.00 0.00 C ATOM 2154 O ALA B 56 8.048 -8.993 -6.043 1.00 0.00 O ATOM 2155 CB ALA B 56 11.058 -9.254 -7.252 1.00 0.00 C ATOM 0 H ALA B 56 11.389 -6.827 -7.627 1.00 0.00 H new ATOM 0 HA ALA B 56 9.269 -8.623 -8.232 1.00 0.00 H new ATOM 0 HB1 ALA B 56 10.676 -10.246 -7.012 1.00 0.00 H new ATOM 0 HB2 ALA B 56 11.621 -9.298 -8.184 1.00 0.00 H new ATOM 0 HB3 ALA B 56 11.712 -8.913 -6.449 1.00 0.00 H new ATOM 2161 N VAL B 57 9.431 -7.453 -5.175 1.00 0.00 N ATOM 2162 CA VAL B 57 8.647 -7.287 -3.962 1.00 0.00 C ATOM 2163 C VAL B 57 7.343 -6.568 -4.280 1.00 0.00 C ATOM 2164 O VAL B 57 6.284 -6.946 -3.781 1.00 0.00 O ATOM 2165 CB VAL B 57 9.418 -6.515 -2.869 1.00 0.00 C ATOM 2166 CG1 VAL B 57 8.521 -6.234 -1.675 1.00 0.00 C ATOM 2167 CG2 VAL B 57 10.645 -7.297 -2.426 1.00 0.00 C ATOM 0 H VAL B 57 10.285 -6.896 -5.207 1.00 0.00 H new ATOM 0 HA VAL B 57 8.436 -8.283 -3.573 1.00 0.00 H new ATOM 0 HB VAL B 57 9.742 -5.564 -3.292 1.00 0.00 H new ATOM 0 HG11 VAL B 57 9.084 -5.689 -0.917 1.00 0.00 H new ATOM 0 HG12 VAL B 57 7.668 -5.635 -1.994 1.00 0.00 H new ATOM 0 HG13 VAL B 57 8.166 -7.176 -1.257 1.00 0.00 H new ATOM 0 HG21 VAL B 57 11.175 -6.737 -1.656 1.00 0.00 H new ATOM 0 HG22 VAL B 57 10.336 -8.262 -2.025 1.00 0.00 H new ATOM 0 HG23 VAL B 57 11.305 -7.453 -3.280 1.00 0.00 H new ATOM 2177 N ALA B 58 7.422 -5.544 -5.128 1.00 0.00 N ATOM 2178 CA ALA B 58 6.224 -4.844 -5.581 1.00 0.00 C ATOM 2179 C ALA B 58 5.240 -5.815 -6.241 1.00 0.00 C ATOM 2180 O ALA B 58 4.028 -5.715 -6.051 1.00 0.00 O ATOM 2181 CB ALA B 58 6.597 -3.726 -6.546 1.00 0.00 C ATOM 0 H ALA B 58 8.296 -5.184 -5.512 1.00 0.00 H new ATOM 0 HA ALA B 58 5.735 -4.406 -4.711 1.00 0.00 H new ATOM 0 HB1 ALA B 58 5.693 -3.213 -6.875 1.00 0.00 H new ATOM 0 HB2 ALA B 58 7.255 -3.016 -6.044 1.00 0.00 H new ATOM 0 HB3 ALA B 58 7.110 -4.148 -7.410 1.00 0.00 H new ATOM 2187 N GLU B 59 5.783 -6.761 -6.999 1.00 0.00 N ATOM 2188 CA GLU B 59 4.982 -7.772 -7.684 1.00 0.00 C ATOM 2189 C GLU B 59 4.285 -8.676 -6.663 1.00 0.00 C ATOM 2190 O GLU B 59 3.085 -8.937 -6.763 1.00 0.00 O ATOM 2191 CB GLU B 59 5.898 -8.585 -8.609 1.00 0.00 C ATOM 2192 CG GLU B 59 5.208 -9.189 -9.826 1.00 0.00 C ATOM 2193 CD GLU B 59 4.555 -10.527 -9.550 1.00 0.00 C ATOM 2194 OE1 GLU B 59 5.264 -11.556 -9.589 1.00 0.00 O ATOM 2195 OE2 GLU B 59 3.330 -10.566 -9.315 1.00 0.00 O ATOM 0 H GLU B 59 6.787 -6.850 -7.156 1.00 0.00 H new ATOM 0 HA GLU B 59 4.207 -7.292 -8.282 1.00 0.00 H new ATOM 0 HB2 GLU B 59 6.708 -7.941 -8.951 1.00 0.00 H new ATOM 0 HB3 GLU B 59 6.353 -9.389 -8.031 1.00 0.00 H new ATOM 0 HG2 GLU B 59 4.451 -8.492 -10.187 1.00 0.00 H new ATOM 0 HG3 GLU B 59 5.939 -9.309 -10.626 1.00 0.00 H new ATOM 2202 N GLN B 60 5.041 -9.123 -5.664 1.00 0.00 N ATOM 2203 CA GLN B 60 4.500 -9.977 -4.606 1.00 0.00 C ATOM 2204 C GLN B 60 3.479 -9.220 -3.756 1.00 0.00 C ATOM 2205 O GLN B 60 2.488 -9.793 -3.299 1.00 0.00 O ATOM 2206 CB GLN B 60 5.631 -10.501 -3.722 1.00 0.00 C ATOM 2207 CG GLN B 60 6.582 -11.436 -4.448 1.00 0.00 C ATOM 2208 CD GLN B 60 7.818 -11.756 -3.633 1.00 0.00 C ATOM 2209 OE1 GLN B 60 7.846 -12.718 -2.868 1.00 0.00 O ATOM 2210 NE2 GLN B 60 8.851 -10.944 -3.789 1.00 0.00 N ATOM 0 H GLN B 60 6.033 -8.908 -5.563 1.00 0.00 H new ATOM 0 HA GLN B 60 3.994 -10.820 -5.077 1.00 0.00 H new ATOM 0 HB2 GLN B 60 6.195 -9.656 -3.328 1.00 0.00 H new ATOM 0 HB3 GLN B 60 5.201 -11.024 -2.867 1.00 0.00 H new ATOM 0 HG2 GLN B 60 6.061 -12.362 -4.690 1.00 0.00 H new ATOM 0 HG3 GLN B 60 6.881 -10.982 -5.393 1.00 0.00 H new ATOM 0 HE21 GLN B 60 8.788 -10.156 -4.434 1.00 0.00 H new ATOM 0 HE22 GLN B 60 9.711 -11.106 -3.264 1.00 0.00 H new ATOM 2219 N PHE B 61 3.733 -7.932 -3.550 1.00 0.00 N ATOM 2220 CA PHE B 61 2.811 -7.057 -2.830 1.00 0.00 C ATOM 2221 C PHE B 61 1.470 -7.016 -3.556 1.00 0.00 C ATOM 2222 O PHE B 61 0.403 -7.151 -2.948 1.00 0.00 O ATOM 2223 CB PHE B 61 3.418 -5.651 -2.735 1.00 0.00 C ATOM 2224 CG PHE B 61 2.643 -4.680 -1.885 1.00 0.00 C ATOM 2225 CD1 PHE B 61 2.898 -4.571 -0.527 1.00 0.00 C ATOM 2226 CD2 PHE B 61 1.669 -3.867 -2.447 1.00 0.00 C ATOM 2227 CE1 PHE B 61 2.200 -3.668 0.253 1.00 0.00 C ATOM 2228 CE2 PHE B 61 0.972 -2.962 -1.672 1.00 0.00 C ATOM 2229 CZ PHE B 61 1.234 -2.866 -0.320 1.00 0.00 C ATOM 0 H PHE B 61 4.580 -7.466 -3.875 1.00 0.00 H new ATOM 0 HA PHE B 61 2.647 -7.439 -1.823 1.00 0.00 H new ATOM 0 HB2 PHE B 61 4.429 -5.734 -2.335 1.00 0.00 H new ATOM 0 HB3 PHE B 61 3.506 -5.241 -3.741 1.00 0.00 H new ATOM 0 HD1 PHE B 61 3.651 -5.199 -0.073 1.00 0.00 H new ATOM 0 HD2 PHE B 61 1.454 -3.943 -3.503 1.00 0.00 H new ATOM 0 HE1 PHE B 61 2.410 -3.590 1.309 1.00 0.00 H new ATOM 0 HE2 PHE B 61 0.222 -2.329 -2.123 1.00 0.00 H new ATOM 0 HZ PHE B 61 0.684 -2.164 0.289 1.00 0.00 H new ATOM 2239 N ALA B 62 1.545 -6.854 -4.869 1.00 0.00 N ATOM 2240 CA ALA B 62 0.364 -6.827 -5.716 1.00 0.00 C ATOM 2241 C ALA B 62 -0.412 -8.135 -5.618 1.00 0.00 C ATOM 2242 O ALA B 62 -1.644 -8.132 -5.628 1.00 0.00 O ATOM 2243 CB ALA B 62 0.762 -6.549 -7.152 1.00 0.00 C ATOM 0 H ALA B 62 2.423 -6.738 -5.375 1.00 0.00 H new ATOM 0 HA ALA B 62 -0.289 -6.026 -5.369 1.00 0.00 H new ATOM 0 HB1 ALA B 62 -0.129 -6.531 -7.779 1.00 0.00 H new ATOM 0 HB2 ALA B 62 1.266 -5.584 -7.210 1.00 0.00 H new ATOM 0 HB3 ALA B 62 1.435 -7.332 -7.501 1.00 0.00 H new ATOM 2249 N LYS B 63 0.314 -9.248 -5.516 1.00 0.00 N ATOM 2250 CA LYS B 63 -0.312 -10.555 -5.348 1.00 0.00 C ATOM 2251 C LYS B 63 -1.209 -10.548 -4.119 1.00 0.00 C ATOM 2252 O LYS B 63 -2.364 -10.958 -4.184 1.00 0.00 O ATOM 2253 CB LYS B 63 0.733 -11.658 -5.187 1.00 0.00 C ATOM 2254 CG LYS B 63 1.691 -11.807 -6.354 1.00 0.00 C ATOM 2255 CD LYS B 63 2.592 -13.013 -6.156 1.00 0.00 C ATOM 2256 CE LYS B 63 3.638 -13.133 -7.250 1.00 0.00 C ATOM 2257 NZ LYS B 63 3.033 -13.118 -8.605 1.00 0.00 N ATOM 0 H LYS B 63 1.333 -9.269 -5.547 1.00 0.00 H new ATOM 0 HA LYS B 63 -0.900 -10.756 -6.244 1.00 0.00 H new ATOM 0 HB2 LYS B 63 1.311 -11.461 -4.284 1.00 0.00 H new ATOM 0 HB3 LYS B 63 0.218 -12.607 -5.035 1.00 0.00 H new ATOM 0 HG2 LYS B 63 1.129 -11.915 -7.281 1.00 0.00 H new ATOM 0 HG3 LYS B 63 2.297 -10.906 -6.451 1.00 0.00 H new ATOM 0 HD2 LYS B 63 3.088 -12.939 -5.188 1.00 0.00 H new ATOM 0 HD3 LYS B 63 1.985 -13.918 -6.135 1.00 0.00 H new ATOM 0 HE2 LYS B 63 4.350 -12.312 -7.162 1.00 0.00 H new ATOM 0 HE3 LYS B 63 4.199 -14.057 -7.114 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 3.693 -13.546 -9.285 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 2.146 -13.661 -8.595 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 2.835 -12.136 -8.886 1.00 0.00 H new ATOM 2271 N ALA B 64 -0.666 -10.058 -3.009 1.00 0.00 N ATOM 2272 CA ALA B 64 -1.380 -10.042 -1.741 1.00 0.00 C ATOM 2273 C ALA B 64 -2.704 -9.299 -1.859 1.00 0.00 C ATOM 2274 O ALA B 64 -3.748 -9.804 -1.431 1.00 0.00 O ATOM 2275 CB ALA B 64 -0.516 -9.421 -0.653 1.00 0.00 C ATOM 0 H ALA B 64 0.274 -9.664 -2.965 1.00 0.00 H new ATOM 0 HA ALA B 64 -1.600 -11.074 -1.468 1.00 0.00 H new ATOM 0 HB1 ALA B 64 -1.064 -9.417 0.289 1.00 0.00 H new ATOM 0 HB2 ALA B 64 0.398 -10.003 -0.538 1.00 0.00 H new ATOM 0 HB3 ALA B 64 -0.262 -8.398 -0.930 1.00 0.00 H new ATOM 2281 N LEU B 65 -2.670 -8.112 -2.453 1.00 0.00 N ATOM 2282 CA LEU B 65 -3.878 -7.301 -2.562 1.00 0.00 C ATOM 2283 C LEU B 65 -4.853 -7.943 -3.546 1.00 0.00 C ATOM 2284 O LEU B 65 -6.050 -8.038 -3.282 1.00 0.00 O ATOM 2285 CB LEU B 65 -3.577 -5.865 -3.020 1.00 0.00 C ATOM 2286 CG LEU B 65 -2.209 -5.279 -2.657 1.00 0.00 C ATOM 2287 CD1 LEU B 65 -2.180 -3.801 -2.991 1.00 0.00 C ATOM 2288 CD2 LEU B 65 -1.866 -5.484 -1.194 1.00 0.00 C ATOM 0 H LEU B 65 -1.834 -7.694 -2.861 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.320 -7.253 -1.567 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -3.681 -5.829 -4.104 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -4.344 -5.212 -2.604 1.00 0.00 H new ATOM 0 HG LEU B 65 -1.459 -5.809 -3.244 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -1.205 -3.388 -2.731 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -2.359 -3.665 -4.058 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -2.955 -3.285 -2.425 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -0.887 -5.052 -0.986 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -2.618 -4.997 -0.572 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -1.846 -6.551 -0.971 1.00 0.00 H new ATOM 2300 N ALA B 66 -4.330 -8.404 -4.677 1.00 0.00 N ATOM 2301 CA ALA B 66 -5.161 -8.990 -5.719 1.00 0.00 C ATOM 2302 C ALA B 66 -5.851 -10.264 -5.238 1.00 0.00 C ATOM 2303 O ALA B 66 -7.051 -10.446 -5.451 1.00 0.00 O ATOM 2304 CB ALA B 66 -4.334 -9.274 -6.964 1.00 0.00 C ATOM 0 H ALA B 66 -3.334 -8.383 -4.894 1.00 0.00 H new ATOM 0 HA ALA B 66 -5.937 -8.266 -5.968 1.00 0.00 H new ATOM 0 HB1 ALA B 66 -4.971 -9.712 -7.732 1.00 0.00 H new ATOM 0 HB2 ALA B 66 -3.905 -8.344 -7.336 1.00 0.00 H new ATOM 0 HB3 ALA B 66 -3.533 -9.970 -6.717 1.00 0.00 H new ATOM 2310 N GLN B 67 -5.095 -11.136 -4.579 1.00 0.00 N ATOM 2311 CA GLN B 67 -5.627 -12.415 -4.124 1.00 0.00 C ATOM 2312 C GLN B 67 -6.712 -12.220 -3.074 1.00 0.00 C ATOM 2313 O GLN B 67 -7.724 -12.914 -3.094 1.00 0.00 O ATOM 2314 CB GLN B 67 -4.519 -13.305 -3.558 1.00 0.00 C ATOM 2315 CG GLN B 67 -3.473 -13.709 -4.584 1.00 0.00 C ATOM 2316 CD GLN B 67 -2.401 -14.611 -4.003 1.00 0.00 C ATOM 2317 OE1 GLN B 67 -2.149 -14.480 -2.707 1.00 0.00 O flip ATOM 2318 NE2 GLN B 67 -1.812 -15.427 -4.709 1.00 0.00 N flip ATOM 0 H GLN B 67 -4.114 -10.981 -4.348 1.00 0.00 H new ATOM 0 HA GLN B 67 -6.064 -12.907 -4.993 1.00 0.00 H new ATOM 0 HB2 GLN B 67 -4.027 -12.780 -2.739 1.00 0.00 H new ATOM 0 HB3 GLN B 67 -4.968 -14.205 -3.137 1.00 0.00 H new ATOM 0 HG2 GLN B 67 -3.962 -14.220 -5.413 1.00 0.00 H new ATOM 0 HG3 GLN B 67 -3.006 -12.813 -4.993 1.00 0.00 H new ATOM 0 HE21 GLN B 67 -2.035 -15.497 -5.702 1.00 0.00 H new ATOM 0 HE22 GLN B 67 -1.101 -16.034 -4.302 1.00 0.00 H new ATOM 2327 N SER B 68 -6.513 -11.265 -2.172 1.00 0.00 N ATOM 2328 CA SER B 68 -7.469 -11.043 -1.098 1.00 0.00 C ATOM 2329 C SER B 68 -8.789 -10.495 -1.642 1.00 0.00 C ATOM 2330 O SER B 68 -9.864 -10.917 -1.218 1.00 0.00 O ATOM 2331 CB SER B 68 -6.878 -10.105 -0.042 1.00 0.00 C ATOM 2332 OG SER B 68 -6.295 -8.963 -0.639 1.00 0.00 O ATOM 0 H SER B 68 -5.707 -10.640 -2.164 1.00 0.00 H new ATOM 0 HA SER B 68 -7.680 -12.002 -0.624 1.00 0.00 H new ATOM 0 HB2 SER B 68 -7.660 -9.796 0.652 1.00 0.00 H new ATOM 0 HB3 SER B 68 -6.126 -10.637 0.541 1.00 0.00 H new ATOM 0 HG SER B 68 -5.368 -9.161 -0.887 1.00 0.00 H new ATOM 2338 N VAL B 69 -8.705 -9.578 -2.599 1.00 0.00 N ATOM 2339 CA VAL B 69 -9.899 -8.995 -3.202 1.00 0.00 C ATOM 2340 C VAL B 69 -10.646 -10.019 -4.059 1.00 0.00 C ATOM 2341 O VAL B 69 -11.873 -10.108 -4.009 1.00 0.00 O ATOM 2342 CB VAL B 69 -9.555 -7.755 -4.056 1.00 0.00 C ATOM 2343 CG1 VAL B 69 -10.800 -7.188 -4.719 1.00 0.00 C ATOM 2344 CG2 VAL B 69 -8.883 -6.690 -3.203 1.00 0.00 C ATOM 0 H VAL B 69 -7.825 -9.223 -2.974 1.00 0.00 H new ATOM 0 HA VAL B 69 -10.546 -8.684 -2.382 1.00 0.00 H new ATOM 0 HB VAL B 69 -8.863 -8.067 -4.838 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -10.530 -6.316 -5.314 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -11.245 -7.945 -5.365 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -11.519 -6.896 -3.954 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -8.648 -5.824 -3.821 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -9.555 -6.390 -2.399 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -7.964 -7.092 -2.777 1.00 0.00 H new ATOM 2354 N LYS B 70 -9.907 -10.806 -4.831 1.00 0.00 N ATOM 2355 CA LYS B 70 -10.524 -11.816 -5.684 1.00 0.00 C ATOM 2356 C LYS B 70 -11.122 -12.947 -4.846 1.00 0.00 C ATOM 2357 O LYS B 70 -12.162 -13.508 -5.199 1.00 0.00 O ATOM 2358 CB LYS B 70 -9.512 -12.366 -6.692 1.00 0.00 C ATOM 2359 CG LYS B 70 -9.061 -11.331 -7.715 1.00 0.00 C ATOM 2360 CD LYS B 70 -8.036 -11.900 -8.683 1.00 0.00 C ATOM 2361 CE LYS B 70 -7.528 -10.835 -9.646 1.00 0.00 C ATOM 2362 NZ LYS B 70 -8.599 -10.331 -10.545 1.00 0.00 N ATOM 0 H LYS B 70 -8.889 -10.766 -4.885 1.00 0.00 H new ATOM 0 HA LYS B 70 -11.334 -11.341 -6.238 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -8.640 -12.740 -6.155 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -9.953 -13.215 -7.214 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -9.926 -10.971 -8.272 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -8.634 -10.472 -7.198 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -7.198 -12.317 -8.124 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -8.482 -12.719 -9.247 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -7.112 -10.003 -9.078 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -6.717 -11.248 -10.246 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -8.352 -9.378 -10.879 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -8.697 -10.969 -11.360 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -9.499 -10.293 -10.025 1.00 0.00 H new ATOM 2376 N SER B 71 -10.481 -13.255 -3.725 1.00 0.00 N ATOM 2377 CA SER B 71 -10.980 -14.283 -2.817 1.00 0.00 C ATOM 2378 C SER B 71 -12.034 -13.709 -1.875 1.00 0.00 C ATOM 2379 O SER B 71 -12.594 -14.418 -1.037 1.00 0.00 O ATOM 2380 CB SER B 71 -9.829 -14.885 -2.016 1.00 0.00 C ATOM 2381 OG SER B 71 -8.845 -15.431 -2.882 1.00 0.00 O ATOM 0 H SER B 71 -9.615 -12.809 -3.422 1.00 0.00 H new ATOM 0 HA SER B 71 -11.444 -15.069 -3.413 1.00 0.00 H new ATOM 0 HB2 SER B 71 -9.380 -14.119 -1.384 1.00 0.00 H new ATOM 0 HB3 SER B 71 -10.209 -15.662 -1.353 1.00 0.00 H new ATOM 0 HG SER B 71 -8.240 -14.720 -3.179 1.00 0.00 H new