USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 543 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 46 CYS SG : rot 128:sc= 0.549 USER MOD Set 1.2: A 52 CYS SG : rot 148:sc= -2.4! USER MOD Set 1.3: A 62 CYS SG : rot -161:sc= 0.93 USER MOD Set 1.4: A 65 CYS SG : rot 145:sc= 0.207 USER MOD Set 2.1: A 10 CYS SG : rot 20:sc= 1.12! USER MOD Set 2.2: A 13 CYS SG : rot -46:sc= 2.18 USER MOD Set 2.3: A 27 CYS SG : rot -130:sc= 1.66 USER MOD Set 2.4: A 30 CYS SG : rot 136:sc= 0.249 USER MOD Set 2.5: A 56 GLN : amide:sc= -2.47 X(o=2.7,f=2.8) USER MOD Set 3.1: A 26 THR OG1 : rot 173:sc=-0.00279 USER MOD Set 3.2: A 75 MET CE :methyl -149:sc= -1.8 (180deg=-3.16!) USER MOD Single : A 16 LYS NZ :NH3+ 164:sc= -0.0118 (180deg=-0.151) USER MOD Single : A 17 SER OG : rot 48:sc= 0.143 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -117:sc= -0.644 (180deg=-1.01) USER MOD Single : A 21 HIS :FLIP no HE2:sc= -1.14 F(o=-4.9!,f=-1.1) USER MOD Single : A 22 TYR OH : rot -42:sc= -0.916 USER MOD Single : A 24 GLN :FLIP amide:sc= -0.781 F(o=-1.9,f=-0.78) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0464 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -25:sc= 0.755 USER MOD Single : A 41 ASN : amide:sc= -2.09! C(o=-2.1!,f=-6.4!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 44 TYR OH : rot -134:sc= -1.38 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 51 ASN : amide:sc= -2.06 K(o=-2.1,f=-3!) USER MOD Single : A 63 GLN : amide:sc=-0.00224 K(o=-0.0022,f=-1) USER MOD Single : A 64 TYR OH : rot 180:sc= -0.892 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 177:sc= -0.0167 (180deg=-0.0323) USER MOD Single : A 70 CYS SG : rot 55:sc= -0.0397 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 -6.503 15.318 2.541 1.00 0.00 N ATOM 67 CA ILE A 8 -6.086 14.232 3.418 1.00 0.00 C ATOM 68 C ILE A 8 -4.885 13.489 2.842 1.00 0.00 C ATOM 69 O ILE A 8 -4.685 13.462 1.628 1.00 0.00 O ATOM 70 CB ILE A 8 -7.230 13.229 3.655 1.00 0.00 C ATOM 71 CG1 ILE A 8 -8.503 13.965 4.079 1.00 0.00 C ATOM 72 CG2 ILE A 8 -6.829 12.206 4.707 1.00 0.00 C ATOM 73 CD1 ILE A 8 -9.739 13.092 4.066 1.00 0.00 C ATOM 0 HA ILE A 8 -5.807 14.685 4.369 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.430 12.702 2.722 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.363 14.368 5.082 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.661 14.814 3.414 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.648 11.504 4.863 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.946 11.664 4.369 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.605 12.716 5.644 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.603 13.680 4.377 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.904 12.710 3.059 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.602 12.257 4.753 1.00 0.00 H new ATOM 85 N GLU A 9 -4.091 12.886 3.721 1.00 0.00 N ATOM 86 CA GLU A 9 -2.911 12.141 3.298 1.00 0.00 C ATOM 87 C GLU A 9 -3.089 10.648 3.553 1.00 0.00 C ATOM 88 O GLU A 9 -4.006 10.233 4.264 1.00 0.00 O ATOM 89 CB GLU A 9 -1.669 12.651 4.033 1.00 0.00 C ATOM 90 CG GLU A 9 -1.903 12.918 5.510 1.00 0.00 C ATOM 91 CD GLU A 9 -0.623 12.865 6.322 1.00 0.00 C ATOM 92 OE1 GLU A 9 0.430 13.284 5.798 1.00 0.00 O ATOM 93 OE2 GLU A 9 -0.676 12.405 7.482 1.00 0.00 O ATOM 0 H GLU A 9 -4.243 12.899 4.730 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.780 12.295 2.227 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.868 11.919 3.927 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.326 13.569 3.556 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.365 13.898 5.630 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.608 12.184 5.901 1.00 0.00 H new ATOM 100 N CYS A 10 -2.207 9.844 2.969 1.00 0.00 N ATOM 101 CA CYS A 10 -2.266 8.396 3.131 1.00 0.00 C ATOM 102 C CYS A 10 -1.626 7.970 4.449 1.00 0.00 C ATOM 103 O CYS A 10 -0.447 8.228 4.691 1.00 0.00 O ATOM 104 CB CYS A 10 -1.564 7.702 1.962 1.00 0.00 C ATOM 105 SG CYS A 10 -1.662 5.884 2.009 1.00 0.00 S ATOM 0 H CYS A 10 -1.442 10.171 2.379 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.315 8.099 3.144 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.002 8.055 1.028 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.515 7.999 1.954 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.646 5.522 2.777 1.00 0.00 H new ATOM 110 N VAL A 11 -2.413 7.315 5.297 1.00 0.00 N ATOM 111 CA VAL A 11 -1.923 6.852 6.590 1.00 0.00 C ATOM 112 C VAL A 11 -0.926 5.710 6.423 1.00 0.00 C ATOM 113 O VAL A 11 -0.424 5.162 7.405 1.00 0.00 O ATOM 114 CB VAL A 11 -3.080 6.380 7.492 1.00 0.00 C ATOM 115 CG1 VAL A 11 -3.979 7.550 7.862 1.00 0.00 C ATOM 116 CG2 VAL A 11 -3.877 5.281 6.805 1.00 0.00 C ATOM 0 H VAL A 11 -3.391 7.093 5.112 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.426 7.699 7.062 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.659 5.971 8.410 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.790 7.198 8.499 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.397 8.301 8.397 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.394 7.991 6.956 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.690 4.960 7.456 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.289 5.661 5.870 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.223 4.434 6.596 1.00 0.00 H new ATOM 126 N VAL A 12 -0.643 5.357 5.174 1.00 0.00 N ATOM 127 CA VAL A 12 0.296 4.282 4.877 1.00 0.00 C ATOM 128 C VAL A 12 1.618 4.835 4.356 1.00 0.00 C ATOM 129 O VAL A 12 2.683 4.542 4.901 1.00 0.00 O ATOM 130 CB VAL A 12 -0.283 3.302 3.839 1.00 0.00 C ATOM 131 CG1 VAL A 12 0.686 2.156 3.588 1.00 0.00 C ATOM 132 CG2 VAL A 12 -1.634 2.777 4.299 1.00 0.00 C ATOM 0 H VAL A 12 -1.051 5.800 4.351 1.00 0.00 H new ATOM 0 HA VAL A 12 0.472 3.748 5.811 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.427 3.837 2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.260 1.474 2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.629 2.553 3.212 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.864 1.619 4.520 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.029 2.086 3.554 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.518 2.257 5.250 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.325 3.611 4.423 1.00 0.00 H new ATOM 142 N CYS A 13 1.542 5.636 3.299 1.00 0.00 N ATOM 143 CA CYS A 13 2.732 6.231 2.703 1.00 0.00 C ATOM 144 C CYS A 13 2.741 7.744 2.900 1.00 0.00 C ATOM 145 O CYS A 13 3.779 8.392 2.771 1.00 0.00 O ATOM 146 CB CYS A 13 2.801 5.899 1.211 1.00 0.00 C ATOM 147 SG CYS A 13 1.369 6.489 0.252 1.00 0.00 S ATOM 0 H CYS A 13 0.668 5.888 2.837 1.00 0.00 H new ATOM 0 HA CYS A 13 3.606 5.812 3.202 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.709 6.335 0.794 1.00 0.00 H new ATOM 0 HB3 CYS A 13 2.883 4.819 1.093 1.00 0.00 H new ATOM 0 HG CYS A 13 0.272 6.198 0.886 1.00 0.00 H new ATOM 152 N GLY A 14 1.575 8.301 3.215 1.00 0.00 N ATOM 153 CA GLY A 14 1.470 9.733 3.425 1.00 0.00 C ATOM 154 C GLY A 14 0.977 10.465 2.192 1.00 0.00 C ATOM 155 O GLY A 14 0.713 11.667 2.240 1.00 0.00 O ATOM 0 H GLY A 14 0.702 7.786 3.328 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.790 9.927 4.255 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.445 10.127 3.713 1.00 0.00 H new ATOM 159 N ASP A 15 0.856 9.741 1.085 1.00 0.00 N ATOM 160 CA ASP A 15 0.392 10.330 -0.166 1.00 0.00 C ATOM 161 C ASP A 15 -1.045 10.823 -0.035 1.00 0.00 C ATOM 162 O ASP A 15 -1.884 10.169 0.586 1.00 0.00 O ATOM 163 CB ASP A 15 0.493 9.310 -1.302 1.00 0.00 C ATOM 164 CG ASP A 15 0.061 9.886 -2.636 1.00 0.00 C ATOM 165 OD1 ASP A 15 0.909 10.496 -3.322 1.00 0.00 O ATOM 166 OD2 ASP A 15 -1.123 9.726 -2.996 1.00 0.00 O ATOM 0 H ASP A 15 1.073 8.746 1.028 1.00 0.00 H new ATOM 0 HA ASP A 15 1.030 11.184 -0.396 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.521 8.956 -1.378 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.126 8.444 -1.066 1.00 0.00 H new ATOM 171 N LYS A 16 -1.323 11.982 -0.623 1.00 0.00 N ATOM 172 CA LYS A 16 -2.659 12.565 -0.573 1.00 0.00 C ATOM 173 C LYS A 16 -3.728 11.492 -0.754 1.00 0.00 C ATOM 174 O LYS A 16 -3.951 11.006 -1.863 1.00 0.00 O ATOM 175 CB LYS A 16 -2.810 13.638 -1.653 1.00 0.00 C ATOM 176 CG LYS A 16 -3.935 14.622 -1.379 1.00 0.00 C ATOM 177 CD LYS A 16 -5.257 14.129 -1.943 1.00 0.00 C ATOM 178 CE LYS A 16 -6.230 15.277 -2.166 1.00 0.00 C ATOM 179 NZ LYS A 16 -5.837 16.118 -3.331 1.00 0.00 N ATOM 0 H LYS A 16 -0.640 12.536 -1.140 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.792 13.023 0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.872 14.187 -1.742 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.988 13.153 -2.613 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.032 14.775 -0.304 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.689 15.589 -1.818 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.081 13.611 -2.886 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.698 13.404 -1.259 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.232 14.878 -2.327 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.274 15.896 -1.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.642 16.710 -3.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.037 16.727 -3.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.557 15.505 -4.123 1.00 0.00 H new ATOM 193 N SER A 17 -4.387 11.127 0.342 1.00 0.00 N ATOM 194 CA SER A 17 -5.431 10.110 0.303 1.00 0.00 C ATOM 195 C SER A 17 -6.585 10.550 -0.591 1.00 0.00 C ATOM 196 O SER A 17 -6.958 11.724 -0.611 1.00 0.00 O ATOM 197 CB SER A 17 -5.945 9.824 1.715 1.00 0.00 C ATOM 198 OG SER A 17 -7.194 9.155 1.677 1.00 0.00 O ATOM 0 H SER A 17 -4.216 11.521 1.267 1.00 0.00 H new ATOM 0 HA SER A 17 -5.001 9.198 -0.112 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.219 9.215 2.253 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.047 10.760 2.265 1.00 0.00 H new ATOM 0 HG SER A 17 -7.147 8.410 1.042 1.00 0.00 H new ATOM 204 N SER A 18 -7.148 9.600 -1.331 1.00 0.00 N ATOM 205 CA SER A 18 -8.258 9.889 -2.231 1.00 0.00 C ATOM 206 C SER A 18 -9.583 9.902 -1.474 1.00 0.00 C ATOM 207 O SER A 18 -10.544 10.546 -1.892 1.00 0.00 O ATOM 208 CB SER A 18 -8.312 8.855 -3.357 1.00 0.00 C ATOM 209 OG SER A 18 -9.541 8.928 -4.059 1.00 0.00 O ATOM 0 H SER A 18 -6.853 8.623 -1.325 1.00 0.00 H new ATOM 0 HA SER A 18 -8.096 10.877 -2.662 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.485 9.021 -4.047 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.185 7.855 -2.943 1.00 0.00 H new ATOM 0 HG SER A 18 -9.549 8.258 -4.774 1.00 0.00 H new ATOM 215 N GLY A 19 -9.625 9.184 -0.355 1.00 0.00 N ATOM 216 CA GLY A 19 -10.835 9.126 0.444 1.00 0.00 C ATOM 217 C GLY A 19 -10.753 8.088 1.545 1.00 0.00 C ATOM 218 O GLY A 19 -9.845 7.256 1.559 1.00 0.00 O ATOM 0 H GLY A 19 -8.843 8.642 0.012 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -11.023 10.105 0.885 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.683 8.900 -0.202 1.00 0.00 H new ATOM 222 N LYS A 20 -11.703 8.136 2.473 1.00 0.00 N ATOM 223 CA LYS A 20 -11.735 7.193 3.585 1.00 0.00 C ATOM 224 C LYS A 20 -12.115 5.797 3.103 1.00 0.00 C ATOM 225 O LYS A 20 -13.260 5.368 3.251 1.00 0.00 O ATOM 226 CB LYS A 20 -12.728 7.664 4.651 1.00 0.00 C ATOM 227 CG LYS A 20 -13.024 6.617 5.711 1.00 0.00 C ATOM 228 CD LYS A 20 -13.578 7.248 6.977 1.00 0.00 C ATOM 229 CE LYS A 20 -12.463 7.714 7.901 1.00 0.00 C ATOM 230 NZ LYS A 20 -11.883 6.587 8.683 1.00 0.00 N ATOM 0 H LYS A 20 -12.461 8.818 2.477 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.737 7.149 4.021 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.332 8.557 5.135 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.661 7.951 4.165 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.740 5.894 5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.112 6.068 5.946 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.213 8.095 6.715 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.207 6.527 7.499 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.678 8.189 7.312 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.850 8.469 8.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.050 6.746 9.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.334 5.695 8.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.860 6.531 8.505 1.00 0.00 H new ATOM 244 N HIS A 21 -11.147 5.090 2.528 1.00 0.00 N ATOM 245 CA HIS A 21 -11.380 3.740 2.027 1.00 0.00 C ATOM 246 C HIS A 21 -11.102 2.703 3.111 1.00 0.00 C ATOM 247 O HIS A 21 -10.107 2.793 3.829 1.00 0.00 O ATOM 248 CB HIS A 21 -10.501 3.468 0.806 1.00 0.00 C ATOM 249 CG HIS A 21 -11.171 2.633 -0.241 1.00 0.00 C ATOM 250 ND1 HIS A 21 -10.780 1.485 -0.842 1.00 0.00 N flip ATOM 251 CD2 HIS A 21 -12.397 2.951 -0.787 1.00 0.00 C flip ATOM 252 CE1 HIS A 21 -11.766 1.135 -1.731 1.00 0.00 C flip ATOM 253 NE2 HIS A 21 -12.730 2.035 -1.678 1.00 0.00 N flip ATOM 0 H HIS A 21 -10.194 5.430 2.398 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.427 3.662 1.735 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -10.203 4.419 0.364 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -9.589 2.967 1.130 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -9.914 0.975 -0.667 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -12.992 3.814 -0.527 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -11.755 0.264 -2.370 1.00 0.00 H new ATOM 261 N TYR A 22 -11.989 1.720 3.223 1.00 0.00 N ATOM 262 CA TYR A 22 -11.841 0.667 4.221 1.00 0.00 C ATOM 263 C TYR A 22 -11.801 1.254 5.629 1.00 0.00 C ATOM 264 O TYR A 22 -10.953 0.889 6.442 1.00 0.00 O ATOM 265 CB TYR A 22 -10.569 -0.140 3.956 1.00 0.00 C ATOM 266 CG TYR A 22 -10.509 -0.738 2.569 1.00 0.00 C ATOM 267 CD1 TYR A 22 -11.514 -1.580 2.110 1.00 0.00 C ATOM 268 CD2 TYR A 22 -9.447 -0.459 1.717 1.00 0.00 C ATOM 269 CE1 TYR A 22 -11.462 -2.129 0.843 1.00 0.00 C ATOM 270 CE2 TYR A 22 -9.388 -1.003 0.448 1.00 0.00 C ATOM 271 CZ TYR A 22 -10.398 -1.837 0.016 1.00 0.00 C ATOM 272 OH TYR A 22 -10.343 -2.381 -1.247 1.00 0.00 O ATOM 0 H TYR A 22 -12.818 1.631 2.635 1.00 0.00 H new ATOM 0 HA TYR A 22 -12.704 0.006 4.147 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -9.703 0.505 4.102 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -10.497 -0.941 4.691 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -12.350 -1.809 2.754 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -8.655 0.194 2.052 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -12.251 -2.783 0.502 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -8.556 -0.776 -0.202 1.00 0.00 H new ATOM 0 HH TYR A 22 -10.617 -3.321 -1.210 1.00 0.00 H new ATOM 282 N GLY A 23 -12.727 2.165 5.910 1.00 0.00 N ATOM 283 CA GLY A 23 -12.782 2.788 7.220 1.00 0.00 C ATOM 284 C GLY A 23 -11.518 3.557 7.549 1.00 0.00 C ATOM 285 O GLY A 23 -11.272 3.891 8.708 1.00 0.00 O ATOM 0 H GLY A 23 -13.440 2.483 5.254 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.636 3.464 7.262 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.945 2.021 7.977 1.00 0.00 H new ATOM 289 N GLN A 24 -10.714 3.837 6.528 1.00 0.00 N ATOM 290 CA GLN A 24 -9.468 4.570 6.717 1.00 0.00 C ATOM 291 C GLN A 24 -9.122 5.384 5.475 1.00 0.00 C ATOM 292 O GLN A 24 -9.548 5.057 4.367 1.00 0.00 O ATOM 293 CB GLN A 24 -8.327 3.603 7.041 1.00 0.00 C ATOM 294 CG GLN A 24 -7.258 4.203 7.940 1.00 0.00 C ATOM 295 CD GLN A 24 -7.815 4.693 9.262 1.00 0.00 C ATOM 296 OE1 GLN A 24 -8.444 3.794 10.010 1.00 0.00 O flip ATOM 297 NE2 GLN A 24 -7.681 5.867 9.608 1.00 0.00 N flip ATOM 0 H GLN A 24 -10.903 3.568 5.563 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.603 5.256 7.553 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.739 2.716 7.522 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.865 3.275 6.110 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.487 3.456 8.129 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.777 5.033 7.422 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.190 6.524 9.002 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.061 6.182 10.501 1.00 0.00 H new ATOM 306 N PHE A 25 -8.348 6.447 5.667 1.00 0.00 N ATOM 307 CA PHE A 25 -7.946 7.310 4.563 1.00 0.00 C ATOM 308 C PHE A 25 -6.640 6.824 3.940 1.00 0.00 C ATOM 309 O PHE A 25 -5.592 6.823 4.587 1.00 0.00 O ATOM 310 CB PHE A 25 -7.787 8.753 5.046 1.00 0.00 C ATOM 311 CG PHE A 25 -9.091 9.486 5.183 1.00 0.00 C ATOM 312 CD1 PHE A 25 -9.825 9.836 4.061 1.00 0.00 C ATOM 313 CD2 PHE A 25 -9.582 9.826 6.433 1.00 0.00 C ATOM 314 CE1 PHE A 25 -11.025 10.511 4.183 1.00 0.00 C ATOM 315 CE2 PHE A 25 -10.782 10.500 6.562 1.00 0.00 C ATOM 316 CZ PHE A 25 -11.504 10.844 5.435 1.00 0.00 C ATOM 0 H PHE A 25 -7.987 6.731 6.577 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.727 7.273 3.804 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.277 8.751 6.009 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.147 9.293 4.348 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -9.455 9.578 3.080 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -9.021 9.561 7.317 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -11.587 10.778 3.300 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -11.155 10.757 7.542 1.00 0.00 H new ATOM 0 HZ PHE A 25 -12.441 11.372 5.533 1.00 0.00 H new ATOM 326 N THR A 26 -6.711 6.411 2.678 1.00 0.00 N ATOM 327 CA THR A 26 -5.537 5.920 1.968 1.00 0.00 C ATOM 328 C THR A 26 -5.528 6.402 0.522 1.00 0.00 C ATOM 329 O THR A 26 -6.581 6.644 -0.069 1.00 0.00 O ATOM 330 CB THR A 26 -5.472 4.381 1.985 1.00 0.00 C ATOM 331 OG1 THR A 26 -6.619 3.835 1.325 1.00 0.00 O ATOM 332 CG2 THR A 26 -5.403 3.858 3.411 1.00 0.00 C ATOM 0 H THR A 26 -7.569 6.407 2.127 1.00 0.00 H new ATOM 0 HA THR A 26 -4.665 6.318 2.487 1.00 0.00 H new ATOM 0 HB THR A 26 -4.569 4.071 1.458 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.516 2.864 1.239 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.358 2.769 3.397 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.512 4.252 3.900 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.289 4.178 3.959 1.00 0.00 H new ATOM 340 N CYS A 27 -4.334 6.539 -0.044 1.00 0.00 N ATOM 341 CA CYS A 27 -4.187 6.992 -1.422 1.00 0.00 C ATOM 342 C CYS A 27 -4.601 5.897 -2.402 1.00 0.00 C ATOM 343 O CYS A 27 -4.934 4.783 -1.998 1.00 0.00 O ATOM 344 CB CYS A 27 -2.741 7.412 -1.692 1.00 0.00 C ATOM 345 SG CYS A 27 -1.557 6.028 -1.717 1.00 0.00 S ATOM 0 H CYS A 27 -3.453 6.343 0.431 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.841 7.852 -1.567 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.697 7.931 -2.650 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.433 8.126 -0.928 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.546 6.308 -0.949 1.00 0.00 H new ATOM 350 N GLU A 28 -4.578 6.223 -3.690 1.00 0.00 N ATOM 351 CA GLU A 28 -4.951 5.268 -4.726 1.00 0.00 C ATOM 352 C GLU A 28 -3.868 4.209 -4.906 1.00 0.00 C ATOM 353 O GLU A 28 -4.116 3.140 -5.463 1.00 0.00 O ATOM 354 CB GLU A 28 -5.198 5.990 -6.052 1.00 0.00 C ATOM 355 CG GLU A 28 -6.373 6.953 -6.011 1.00 0.00 C ATOM 356 CD GLU A 28 -6.468 7.811 -7.259 1.00 0.00 C ATOM 357 OE1 GLU A 28 -5.947 7.387 -8.311 1.00 0.00 O ATOM 358 OE2 GLU A 28 -7.064 8.906 -7.181 1.00 0.00 O ATOM 0 H GLU A 28 -4.305 7.141 -4.041 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.870 4.773 -4.413 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.298 6.539 -6.330 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.373 5.249 -6.832 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.297 6.388 -5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.279 7.598 -5.137 1.00 0.00 H new ATOM 365 N GLY A 29 -2.665 4.514 -4.429 1.00 0.00 N ATOM 366 CA GLY A 29 -1.561 3.580 -4.547 1.00 0.00 C ATOM 367 C GLY A 29 -1.652 2.446 -3.545 1.00 0.00 C ATOM 368 O GLY A 29 -1.343 1.298 -3.865 1.00 0.00 O ATOM 0 H GLY A 29 -2.435 5.392 -3.963 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.543 3.169 -5.556 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.621 4.113 -4.404 1.00 0.00 H new ATOM 372 N CYS A 30 -2.075 2.768 -2.327 1.00 0.00 N ATOM 373 CA CYS A 30 -2.203 1.769 -1.273 1.00 0.00 C ATOM 374 C CYS A 30 -3.598 1.151 -1.276 1.00 0.00 C ATOM 375 O CYS A 30 -3.760 -0.047 -1.040 1.00 0.00 O ATOM 376 CB CYS A 30 -1.915 2.397 0.092 1.00 0.00 C ATOM 377 SG CYS A 30 -0.258 3.142 0.233 1.00 0.00 S ATOM 0 H CYS A 30 -2.335 3.713 -2.046 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.475 0.981 -1.464 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.664 3.163 0.293 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.025 1.633 0.862 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.350 4.298 0.821 1.00 0.00 H new ATOM 382 N LYS A 31 -4.604 1.976 -1.546 1.00 0.00 N ATOM 383 CA LYS A 31 -5.986 1.513 -1.582 1.00 0.00 C ATOM 384 C LYS A 31 -6.091 0.170 -2.298 1.00 0.00 C ATOM 385 O LYS A 31 -6.765 -0.745 -1.825 1.00 0.00 O ATOM 386 CB LYS A 31 -6.874 2.546 -2.281 1.00 0.00 C ATOM 387 CG LYS A 31 -8.122 1.950 -2.908 1.00 0.00 C ATOM 388 CD LYS A 31 -8.759 2.908 -3.901 1.00 0.00 C ATOM 389 CE LYS A 31 -8.162 2.748 -5.291 1.00 0.00 C ATOM 390 NZ LYS A 31 -8.816 3.646 -6.282 1.00 0.00 N ATOM 0 H LYS A 31 -4.488 2.970 -1.743 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.327 1.385 -0.555 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.169 3.308 -1.559 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.293 3.048 -3.055 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.867 1.018 -3.412 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.841 1.703 -2.127 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.833 2.729 -3.943 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.619 3.934 -3.560 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.094 2.964 -5.255 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.267 1.712 -5.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.381 3.507 -7.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.830 3.423 -6.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.694 4.636 -5.987 1.00 0.00 H new ATOM 404 N SER A 32 -5.420 0.059 -3.440 1.00 0.00 N ATOM 405 CA SER A 32 -5.440 -1.172 -4.222 1.00 0.00 C ATOM 406 C SER A 32 -4.435 -2.180 -3.673 1.00 0.00 C ATOM 407 O SER A 32 -4.745 -3.361 -3.517 1.00 0.00 O ATOM 408 CB SER A 32 -5.130 -0.873 -5.690 1.00 0.00 C ATOM 409 OG SER A 32 -3.823 -0.346 -5.839 1.00 0.00 O ATOM 0 H SER A 32 -4.856 0.806 -3.844 1.00 0.00 H new ATOM 0 HA SER A 32 -6.438 -1.604 -4.150 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.227 -1.785 -6.278 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.858 -0.163 -6.081 1.00 0.00 H new ATOM 0 HG SER A 32 -3.649 -0.165 -6.786 1.00 0.00 H new ATOM 415 N PHE A 33 -3.229 -1.705 -3.382 1.00 0.00 N ATOM 416 CA PHE A 33 -2.176 -2.564 -2.852 1.00 0.00 C ATOM 417 C PHE A 33 -2.687 -3.382 -1.669 1.00 0.00 C ATOM 418 O PHE A 33 -2.289 -4.532 -1.477 1.00 0.00 O ATOM 419 CB PHE A 33 -0.971 -1.725 -2.423 1.00 0.00 C ATOM 420 CG PHE A 33 0.128 -2.532 -1.792 1.00 0.00 C ATOM 421 CD1 PHE A 33 0.145 -2.753 -0.425 1.00 0.00 C ATOM 422 CD2 PHE A 33 1.143 -3.068 -2.567 1.00 0.00 C ATOM 423 CE1 PHE A 33 1.155 -3.495 0.159 1.00 0.00 C ATOM 424 CE2 PHE A 33 2.155 -3.812 -1.990 1.00 0.00 C ATOM 425 CZ PHE A 33 2.162 -4.025 -0.625 1.00 0.00 C ATOM 0 H PHE A 33 -2.956 -0.730 -3.504 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.869 -3.250 -3.641 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.574 -1.203 -3.293 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.302 -0.963 -1.718 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.640 -2.341 0.192 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.144 -2.903 -3.634 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.157 -3.660 1.226 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.940 -4.226 -2.606 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.953 -4.604 -0.172 1.00 0.00 H new ATOM 435 N PHE A 34 -3.569 -2.781 -0.878 1.00 0.00 N ATOM 436 CA PHE A 34 -4.134 -3.453 0.287 1.00 0.00 C ATOM 437 C PHE A 34 -5.132 -4.526 -0.135 1.00 0.00 C ATOM 438 O PHE A 34 -5.108 -5.647 0.374 1.00 0.00 O ATOM 439 CB PHE A 34 -4.817 -2.437 1.206 1.00 0.00 C ATOM 440 CG PHE A 34 -5.498 -3.063 2.389 1.00 0.00 C ATOM 441 CD1 PHE A 34 -4.769 -3.767 3.333 1.00 0.00 C ATOM 442 CD2 PHE A 34 -6.869 -2.949 2.555 1.00 0.00 C ATOM 443 CE1 PHE A 34 -5.393 -4.343 4.424 1.00 0.00 C ATOM 444 CE2 PHE A 34 -7.499 -3.523 3.644 1.00 0.00 C ATOM 445 CZ PHE A 34 -6.760 -4.222 4.578 1.00 0.00 C ATOM 0 H PHE A 34 -3.908 -1.830 -1.022 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.320 -3.933 0.829 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.074 -1.723 1.560 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.551 -1.874 0.630 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.700 -3.867 3.215 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.452 -2.406 1.826 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.812 -4.887 5.155 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.568 -3.425 3.764 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.250 -4.673 5.428 1.00 0.00 H new ATOM 455 N LYS A 35 -6.011 -4.175 -1.068 1.00 0.00 N ATOM 456 CA LYS A 35 -7.018 -5.107 -1.560 1.00 0.00 C ATOM 457 C LYS A 35 -6.372 -6.237 -2.355 1.00 0.00 C ATOM 458 O LYS A 35 -6.434 -7.401 -1.959 1.00 0.00 O ATOM 459 CB LYS A 35 -8.038 -4.373 -2.433 1.00 0.00 C ATOM 460 CG LYS A 35 -8.751 -5.275 -3.426 1.00 0.00 C ATOM 461 CD LYS A 35 -9.572 -4.471 -4.420 1.00 0.00 C ATOM 462 CE LYS A 35 -8.766 -4.137 -5.667 1.00 0.00 C ATOM 463 NZ LYS A 35 -9.642 -3.726 -6.799 1.00 0.00 N ATOM 0 H LYS A 35 -6.046 -3.251 -1.499 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.529 -5.539 -0.699 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.779 -3.898 -1.790 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.531 -3.577 -2.978 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.018 -5.879 -3.962 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.402 -5.966 -2.890 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.461 -5.036 -4.700 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.915 -3.550 -3.949 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.063 -3.335 -5.441 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.175 -5.005 -5.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.056 -3.507 -7.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.296 -4.501 -7.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.187 -2.883 -6.528 1.00 0.00 H new ATOM 477 N ARG A 36 -5.753 -5.885 -3.477 1.00 0.00 N ATOM 478 CA ARG A 36 -5.095 -6.870 -4.328 1.00 0.00 C ATOM 479 C ARG A 36 -4.375 -7.921 -3.487 1.00 0.00 C ATOM 480 O ARG A 36 -4.243 -9.074 -3.896 1.00 0.00 O ATOM 481 CB ARG A 36 -4.101 -6.183 -5.266 1.00 0.00 C ATOM 482 CG ARG A 36 -2.828 -5.725 -4.573 1.00 0.00 C ATOM 483 CD ARG A 36 -1.741 -5.379 -5.579 1.00 0.00 C ATOM 484 NE ARG A 36 -2.193 -4.393 -6.557 1.00 0.00 N ATOM 485 CZ ARG A 36 -1.369 -3.637 -7.273 1.00 0.00 C ATOM 486 NH1 ARG A 36 -0.057 -3.754 -7.122 1.00 0.00 N ATOM 487 NH2 ARG A 36 -1.857 -2.762 -8.144 1.00 0.00 N ATOM 0 H ARG A 36 -5.693 -4.926 -3.818 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.861 -7.368 -4.923 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.840 -6.870 -6.071 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.584 -5.321 -5.726 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.043 -4.854 -3.953 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.472 -6.511 -3.907 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.869 -4.993 -5.052 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.425 -6.285 -6.097 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.197 -4.279 -6.698 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.322 -4.426 -6.455 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.574 -3.172 -7.673 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.866 -2.670 -8.264 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.223 -2.182 -8.693 1.00 0.00 H new ATOM 501 N SER A 37 -3.912 -7.512 -2.310 1.00 0.00 N ATOM 502 CA SER A 37 -3.201 -8.417 -1.413 1.00 0.00 C ATOM 503 C SER A 37 -4.174 -9.133 -0.481 1.00 0.00 C ATOM 504 O SER A 37 -4.038 -10.329 -0.223 1.00 0.00 O ATOM 505 CB SER A 37 -2.166 -7.645 -0.592 1.00 0.00 C ATOM 506 OG SER A 37 -2.789 -6.686 0.244 1.00 0.00 O ATOM 0 H SER A 37 -4.016 -6.561 -1.955 1.00 0.00 H new ATOM 0 HA SER A 37 -2.690 -9.164 -2.020 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.588 -8.341 0.016 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.464 -7.147 -1.261 1.00 0.00 H new ATOM 0 HG SER A 37 -3.651 -6.426 -0.143 1.00 0.00 H new ATOM 512 N VAL A 38 -5.157 -8.392 0.021 1.00 0.00 N ATOM 513 CA VAL A 38 -6.154 -8.955 0.924 1.00 0.00 C ATOM 514 C VAL A 38 -7.126 -9.859 0.174 1.00 0.00 C ATOM 515 O VAL A 38 -7.235 -11.049 0.468 1.00 0.00 O ATOM 516 CB VAL A 38 -6.949 -7.849 1.642 1.00 0.00 C ATOM 517 CG1 VAL A 38 -8.025 -8.455 2.530 1.00 0.00 C ATOM 518 CG2 VAL A 38 -6.015 -6.961 2.451 1.00 0.00 C ATOM 0 H VAL A 38 -5.284 -7.401 -0.182 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.613 -9.543 1.666 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.439 -7.231 0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.576 -7.658 3.029 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.711 -9.044 1.921 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.560 -9.098 3.278 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.594 -6.185 2.952 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.495 -7.563 3.196 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.286 -6.498 1.786 1.00 0.00 H new ATOM 528 N ARG A 39 -7.829 -9.286 -0.797 1.00 0.00 N ATOM 529 CA ARG A 39 -8.793 -10.039 -1.590 1.00 0.00 C ATOM 530 C ARG A 39 -8.170 -11.325 -2.125 1.00 0.00 C ATOM 531 O ARG A 39 -8.844 -12.347 -2.255 1.00 0.00 O ATOM 532 CB ARG A 39 -9.308 -9.187 -2.751 1.00 0.00 C ATOM 533 CG ARG A 39 -8.228 -8.798 -3.747 1.00 0.00 C ATOM 534 CD ARG A 39 -8.740 -8.861 -5.177 1.00 0.00 C ATOM 535 NE ARG A 39 -9.716 -7.811 -5.456 1.00 0.00 N ATOM 536 CZ ARG A 39 -10.632 -7.895 -6.414 1.00 0.00 C ATOM 537 NH1 ARG A 39 -10.698 -8.975 -7.181 1.00 0.00 N ATOM 538 NH2 ARG A 39 -11.486 -6.898 -6.607 1.00 0.00 N ATOM 0 H ARG A 39 -7.749 -8.302 -1.054 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.630 -10.303 -0.944 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.092 -9.736 -3.274 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.765 -8.282 -2.351 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.877 -7.789 -3.529 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.372 -9.464 -3.636 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.901 -8.769 -5.867 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.194 -9.835 -5.357 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.693 -6.967 -4.884 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.044 -9.744 -7.036 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.403 -9.036 -7.916 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.440 -6.066 -6.019 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.189 -6.964 -7.343 1.00 0.00 H new ATOM 552 N ARG A 40 -6.879 -11.266 -2.435 1.00 0.00 N ATOM 553 CA ARG A 40 -6.165 -12.424 -2.959 1.00 0.00 C ATOM 554 C ARG A 40 -5.533 -13.230 -1.827 1.00 0.00 C ATOM 555 O ARG A 40 -5.178 -14.395 -2.005 1.00 0.00 O ATOM 556 CB ARG A 40 -5.085 -11.980 -3.947 1.00 0.00 C ATOM 557 CG ARG A 40 -5.639 -11.324 -5.201 1.00 0.00 C ATOM 558 CD ARG A 40 -4.711 -11.520 -6.389 1.00 0.00 C ATOM 559 NE ARG A 40 -5.021 -12.739 -7.131 1.00 0.00 N ATOM 560 CZ ARG A 40 -4.168 -13.334 -7.957 1.00 0.00 C ATOM 561 NH1 ARG A 40 -2.959 -12.824 -8.146 1.00 0.00 N ATOM 562 NH2 ARG A 40 -4.524 -14.441 -8.597 1.00 0.00 N ATOM 0 H ARG A 40 -6.306 -10.428 -2.332 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.884 -13.059 -3.478 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.413 -11.281 -3.448 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.488 -12.846 -4.234 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.618 -11.744 -5.430 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.783 -10.258 -5.022 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.789 -10.661 -7.055 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.679 -11.561 -6.040 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.943 -13.156 -7.008 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.682 -11.973 -7.657 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.306 -13.283 -8.781 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.454 -14.836 -8.455 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.868 -14.897 -9.231 1.00 0.00 H new ATOM 576 N ASN A 41 -5.397 -12.602 -0.664 1.00 0.00 N ATOM 577 CA ASN A 41 -4.807 -13.260 0.496 1.00 0.00 C ATOM 578 C ASN A 41 -3.324 -13.535 0.270 1.00 0.00 C ATOM 579 O ASN A 41 -2.797 -14.559 0.707 1.00 0.00 O ATOM 580 CB ASN A 41 -5.541 -14.570 0.792 1.00 0.00 C ATOM 581 CG ASN A 41 -7.044 -14.438 0.638 1.00 0.00 C ATOM 582 OD1 ASN A 41 -7.555 -14.299 -0.474 1.00 0.00 O ATOM 583 ND2 ASN A 41 -7.760 -14.481 1.755 1.00 0.00 N ATOM 0 H ASN A 41 -5.687 -11.638 -0.500 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.908 -12.593 1.352 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.177 -15.347 0.120 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.309 -14.892 1.807 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -8.776 -14.397 1.713 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.294 -14.598 2.655 1.00 0.00 H new ATOM 590 N LEU A 42 -2.655 -12.615 -0.416 1.00 0.00 N ATOM 591 CA LEU A 42 -1.231 -12.757 -0.700 1.00 0.00 C ATOM 592 C LEU A 42 -0.408 -12.662 0.581 1.00 0.00 C ATOM 593 O LEU A 42 -0.935 -12.351 1.649 1.00 0.00 O ATOM 594 CB LEU A 42 -0.779 -11.684 -1.692 1.00 0.00 C ATOM 595 CG LEU A 42 -1.698 -11.448 -2.891 1.00 0.00 C ATOM 596 CD1 LEU A 42 -1.125 -10.371 -3.799 1.00 0.00 C ATOM 597 CD2 LEU A 42 -1.911 -12.742 -3.662 1.00 0.00 C ATOM 0 H LEU A 42 -3.076 -11.763 -0.786 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.070 -13.741 -1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.669 -10.743 -1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.209 -11.955 -2.065 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.665 -11.106 -2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.793 -10.217 -4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.026 -9.440 -3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.145 -10.683 -4.161 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.567 -12.555 -4.512 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.951 -13.115 -4.020 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.367 -13.485 -3.007 1.00 0.00 H new ATOM 609 N THR A 43 0.889 -12.928 0.466 1.00 0.00 N ATOM 610 CA THR A 43 1.786 -12.872 1.613 1.00 0.00 C ATOM 611 C THR A 43 3.215 -12.567 1.179 1.00 0.00 C ATOM 612 O THR A 43 3.883 -13.406 0.574 1.00 0.00 O ATOM 613 CB THR A 43 1.772 -14.194 2.403 1.00 0.00 C ATOM 614 OG1 THR A 43 0.425 -14.563 2.716 1.00 0.00 O ATOM 615 CG2 THR A 43 2.580 -14.067 3.685 1.00 0.00 C ATOM 0 H THR A 43 1.342 -13.185 -0.411 1.00 0.00 H new ATOM 0 HA THR A 43 1.426 -12.070 2.257 1.00 0.00 H new ATOM 0 HB THR A 43 2.225 -14.967 1.783 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.425 -15.405 3.217 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.555 -15.013 4.226 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.612 -13.815 3.441 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.152 -13.282 4.308 1.00 0.00 H new ATOM 623 N TYR A 44 3.679 -11.362 1.493 1.00 0.00 N ATOM 624 CA TYR A 44 5.030 -10.947 1.134 1.00 0.00 C ATOM 625 C TYR A 44 5.994 -11.165 2.295 1.00 0.00 C ATOM 626 O TYR A 44 5.588 -11.203 3.457 1.00 0.00 O ATOM 627 CB TYR A 44 5.039 -9.474 0.719 1.00 0.00 C ATOM 628 CG TYR A 44 3.808 -9.054 -0.051 1.00 0.00 C ATOM 629 CD1 TYR A 44 3.450 -9.696 -1.231 1.00 0.00 C ATOM 630 CD2 TYR A 44 3.003 -8.016 0.400 1.00 0.00 C ATOM 631 CE1 TYR A 44 2.326 -9.315 -1.938 1.00 0.00 C ATOM 632 CE2 TYR A 44 1.876 -7.629 -0.300 1.00 0.00 C ATOM 633 CZ TYR A 44 1.542 -8.282 -1.468 1.00 0.00 C ATOM 634 OH TYR A 44 0.422 -7.899 -2.169 1.00 0.00 O ATOM 0 H TYR A 44 3.140 -10.656 1.995 1.00 0.00 H new ATOM 0 HA TYR A 44 5.359 -11.558 0.293 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.128 -8.854 1.611 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.922 -9.283 0.109 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.061 -10.506 -1.601 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.262 -7.502 1.314 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.063 -9.823 -2.854 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.261 -6.820 0.065 1.00 0.00 H new ATOM 0 HH TYR A 44 0.399 -6.922 -2.241 1.00 0.00 H new ATOM 644 N THR A 45 7.276 -11.309 1.973 1.00 0.00 N ATOM 645 CA THR A 45 8.300 -11.524 2.987 1.00 0.00 C ATOM 646 C THR A 45 9.192 -10.297 3.138 1.00 0.00 C ATOM 647 O THR A 45 9.831 -9.860 2.180 1.00 0.00 O ATOM 648 CB THR A 45 9.178 -12.744 2.649 1.00 0.00 C ATOM 649 OG1 THR A 45 9.784 -13.257 3.841 1.00 0.00 O ATOM 650 CG2 THR A 45 10.258 -12.372 1.645 1.00 0.00 C ATOM 0 H THR A 45 7.630 -11.280 1.017 1.00 0.00 H new ATOM 0 HA THR A 45 7.779 -11.709 3.927 1.00 0.00 H new ATOM 0 HB THR A 45 8.541 -13.510 2.207 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.339 -14.033 3.618 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.865 -13.249 1.422 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.793 -12.010 0.728 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.891 -11.590 2.064 1.00 0.00 H new ATOM 658 N CYS A 46 9.232 -9.745 4.346 1.00 0.00 N ATOM 659 CA CYS A 46 10.045 -8.567 4.623 1.00 0.00 C ATOM 660 C CYS A 46 11.527 -8.929 4.666 1.00 0.00 C ATOM 661 O CYS A 46 11.961 -9.716 5.508 1.00 0.00 O ATOM 662 CB CYS A 46 9.625 -7.932 5.949 1.00 0.00 C ATOM 663 SG CYS A 46 10.647 -6.508 6.448 1.00 0.00 S ATOM 0 H CYS A 46 8.710 -10.095 5.149 1.00 0.00 H new ATOM 0 HA CYS A 46 9.887 -7.849 3.819 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.586 -7.611 5.873 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.668 -8.689 6.732 1.00 0.00 H new ATOM 0 HG CYS A 46 9.878 -5.496 6.719 1.00 0.00 H new ATOM 668 N ARG A 47 12.299 -8.347 3.753 1.00 0.00 N ATOM 669 CA ARG A 47 13.732 -8.608 3.686 1.00 0.00 C ATOM 670 C ARG A 47 14.485 -7.778 4.721 1.00 0.00 C ATOM 671 O ARG A 47 15.692 -7.570 4.606 1.00 0.00 O ATOM 672 CB ARG A 47 14.263 -8.300 2.285 1.00 0.00 C ATOM 673 CG ARG A 47 13.427 -8.906 1.170 1.00 0.00 C ATOM 674 CD ARG A 47 14.276 -9.231 -0.049 1.00 0.00 C ATOM 675 NE ARG A 47 13.533 -9.999 -1.045 1.00 0.00 N ATOM 676 CZ ARG A 47 12.767 -9.445 -1.978 1.00 0.00 C ATOM 677 NH1 ARG A 47 12.644 -8.126 -2.042 1.00 0.00 N ATOM 678 NH2 ARG A 47 12.122 -10.210 -2.849 1.00 0.00 N ATOM 0 H ARG A 47 11.956 -7.692 3.050 1.00 0.00 H new ATOM 0 HA ARG A 47 13.894 -9.663 3.905 1.00 0.00 H new ATOM 0 HB2 ARG A 47 14.304 -7.219 2.151 1.00 0.00 H new ATOM 0 HB3 ARG A 47 15.285 -8.670 2.204 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.942 -9.814 1.529 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.635 -8.212 0.889 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.634 -8.305 -0.499 1.00 0.00 H new ATOM 0 HD3 ARG A 47 15.155 -9.795 0.262 1.00 0.00 H new ATOM 0 HE ARG A 47 13.606 -11.016 -1.023 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.138 -7.535 -1.374 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.055 -7.703 -2.759 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.214 -11.225 -2.803 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.534 -9.783 -3.565 1.00 0.00 H new ATOM 692 N ALA A 48 13.763 -7.305 5.732 1.00 0.00 N ATOM 693 CA ALA A 48 14.362 -6.499 6.788 1.00 0.00 C ATOM 694 C ALA A 48 13.763 -6.841 8.148 1.00 0.00 C ATOM 695 O ALA A 48 12.957 -7.763 8.267 1.00 0.00 O ATOM 696 CB ALA A 48 14.183 -5.018 6.488 1.00 0.00 C ATOM 0 H ALA A 48 12.762 -7.467 5.842 1.00 0.00 H new ATOM 0 HA ALA A 48 15.428 -6.726 6.823 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.635 -4.428 7.285 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.665 -4.778 5.540 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.120 -4.786 6.423 1.00 0.00 H new ATOM 702 N ASN A 49 14.162 -6.093 9.171 1.00 0.00 N ATOM 703 CA ASN A 49 13.665 -6.319 10.523 1.00 0.00 C ATOM 704 C ASN A 49 12.263 -5.740 10.691 1.00 0.00 C ATOM 705 O ASN A 49 11.953 -5.124 11.711 1.00 0.00 O ATOM 706 CB ASN A 49 14.613 -5.694 11.549 1.00 0.00 C ATOM 707 CG ASN A 49 15.818 -6.570 11.831 1.00 0.00 C ATOM 708 OD1 ASN A 49 16.546 -6.930 10.780 1.00 0.00 O flip ATOM 709 ND2 ASN A 49 16.091 -6.918 12.980 1.00 0.00 N flip ATOM 0 H ASN A 49 14.828 -5.325 9.090 1.00 0.00 H new ATOM 0 HA ASN A 49 13.617 -7.395 10.690 1.00 0.00 H new ATOM 0 HB2 ASN A 49 14.950 -4.724 11.184 1.00 0.00 H new ATOM 0 HB3 ASN A 49 14.072 -5.515 12.478 1.00 0.00 H new ATOM 0 HD21 ASN A 49 15.503 -6.617 13.757 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.905 -7.507 13.155 1.00 0.00 H new ATOM 716 N ARG A 50 11.421 -5.942 9.683 1.00 0.00 N ATOM 717 CA ARG A 50 10.053 -5.440 9.718 1.00 0.00 C ATOM 718 C ARG A 50 10.012 -4.010 10.249 1.00 0.00 C ATOM 719 O ARG A 50 9.047 -3.605 10.895 1.00 0.00 O ATOM 720 CB ARG A 50 9.178 -6.344 10.589 1.00 0.00 C ATOM 721 CG ARG A 50 9.086 -7.774 10.083 1.00 0.00 C ATOM 722 CD ARG A 50 8.378 -8.675 11.084 1.00 0.00 C ATOM 723 NE ARG A 50 8.097 -9.996 10.527 1.00 0.00 N ATOM 724 CZ ARG A 50 8.987 -10.981 10.488 1.00 0.00 C ATOM 725 NH1 ARG A 50 10.208 -10.796 10.971 1.00 0.00 N ATOM 726 NH2 ARG A 50 8.655 -12.155 9.967 1.00 0.00 N ATOM 0 H ARG A 50 11.662 -6.450 8.832 1.00 0.00 H new ATOM 0 HA ARG A 50 9.665 -5.442 8.699 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.576 -6.352 11.604 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.175 -5.921 10.643 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.550 -7.791 9.134 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.088 -8.158 9.891 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.995 -8.781 11.976 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.444 -8.207 11.396 1.00 0.00 H new ATOM 0 HE ARG A 50 7.167 -10.171 10.147 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.466 -9.895 11.374 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.889 -11.555 10.940 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.716 -12.301 9.596 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.339 -12.911 9.937 1.00 0.00 H new ATOM 740 N ASN A 51 11.067 -3.251 9.971 1.00 0.00 N ATOM 741 CA ASN A 51 11.152 -1.866 10.421 1.00 0.00 C ATOM 742 C ASN A 51 11.380 -0.925 9.242 1.00 0.00 C ATOM 743 O ASN A 51 11.748 0.236 9.424 1.00 0.00 O ATOM 744 CB ASN A 51 12.282 -1.708 11.440 1.00 0.00 C ATOM 745 CG ASN A 51 12.068 -2.560 12.677 1.00 0.00 C ATOM 746 OD1 ASN A 51 12.949 -3.319 13.081 1.00 0.00 O ATOM 747 ND2 ASN A 51 10.894 -2.436 13.284 1.00 0.00 N ATOM 0 H ASN A 51 11.875 -3.571 9.437 1.00 0.00 H new ATOM 0 HA ASN A 51 10.206 -1.604 10.894 1.00 0.00 H new ATOM 0 HB2 ASN A 51 13.229 -1.980 10.974 1.00 0.00 H new ATOM 0 HB3 ASN A 51 12.360 -0.661 11.732 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.692 -2.983 14.121 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.193 -1.794 12.913 1.00 0.00 H new ATOM 754 N CYS A 52 11.157 -1.432 8.035 1.00 0.00 N ATOM 755 CA CYS A 52 11.337 -0.637 6.826 1.00 0.00 C ATOM 756 C CYS A 52 10.490 0.631 6.877 1.00 0.00 C ATOM 757 O CYS A 52 9.286 0.594 7.134 1.00 0.00 O ATOM 758 CB CYS A 52 10.967 -1.460 5.590 1.00 0.00 C ATOM 759 SG CYS A 52 11.587 -3.173 5.625 1.00 0.00 S ATOM 0 H CYS A 52 10.851 -2.391 7.867 1.00 0.00 H new ATOM 0 HA CYS A 52 12.387 -0.350 6.763 1.00 0.00 H new ATOM 0 HB2 CYS A 52 9.882 -1.480 5.491 1.00 0.00 H new ATOM 0 HB3 CYS A 52 11.359 -0.961 4.704 1.00 0.00 H new ATOM 0 HG CYS A 52 10.752 -3.950 5.001 1.00 0.00 H new ATOM 764 N PRO A 53 11.132 1.782 6.627 1.00 0.00 N ATOM 765 CA PRO A 53 10.458 3.083 6.638 1.00 0.00 C ATOM 766 C PRO A 53 9.499 3.249 5.464 1.00 0.00 C ATOM 767 O PRO A 53 9.883 3.742 4.403 1.00 0.00 O ATOM 768 CB PRO A 53 11.613 4.082 6.531 1.00 0.00 C ATOM 769 CG PRO A 53 12.706 3.326 5.857 1.00 0.00 C ATOM 770 CD PRO A 53 12.566 1.900 6.314 1.00 0.00 C ATOM 0 HA PRO A 53 9.843 3.216 7.528 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.325 4.960 5.954 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.924 4.435 7.514 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.620 3.399 4.773 1.00 0.00 H new ATOM 0 HG3 PRO A 53 13.683 3.728 6.127 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.867 1.197 5.537 1.00 0.00 H new ATOM 0 HD3 PRO A 53 13.186 1.695 7.187 1.00 0.00 H new ATOM 778 N ILE A 54 8.252 2.836 5.662 1.00 0.00 N ATOM 779 CA ILE A 54 7.239 2.942 4.620 1.00 0.00 C ATOM 780 C ILE A 54 6.828 4.393 4.396 1.00 0.00 C ATOM 781 O ILE A 54 6.163 4.998 5.237 1.00 0.00 O ATOM 782 CB ILE A 54 5.987 2.114 4.965 1.00 0.00 C ATOM 783 CG1 ILE A 54 6.374 0.663 5.259 1.00 0.00 C ATOM 784 CG2 ILE A 54 4.978 2.179 3.829 1.00 0.00 C ATOM 785 CD1 ILE A 54 6.995 -0.048 4.077 1.00 0.00 C ATOM 0 H ILE A 54 7.919 2.425 6.534 1.00 0.00 H new ATOM 0 HA ILE A 54 7.685 2.548 3.707 1.00 0.00 H new ATOM 0 HB ILE A 54 5.526 2.536 5.858 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.075 0.644 6.093 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.486 0.116 5.576 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.099 1.589 4.089 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.683 3.215 3.663 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.428 1.780 2.920 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.244 -1.071 4.358 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.288 -0.061 3.248 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.901 0.476 3.773 1.00 0.00 H new ATOM 797 N ASP A 55 7.228 4.946 3.256 1.00 0.00 N ATOM 798 CA ASP A 55 6.900 6.327 2.920 1.00 0.00 C ATOM 799 C ASP A 55 6.399 6.431 1.483 1.00 0.00 C ATOM 800 O ASP A 55 6.353 5.438 0.758 1.00 0.00 O ATOM 801 CB ASP A 55 8.122 7.226 3.114 1.00 0.00 C ATOM 802 CG ASP A 55 9.370 6.653 2.473 1.00 0.00 C ATOM 803 OD1 ASP A 55 10.070 5.863 3.140 1.00 0.00 O ATOM 804 OD2 ASP A 55 9.648 6.995 1.304 1.00 0.00 O ATOM 0 H ASP A 55 7.780 4.459 2.549 1.00 0.00 H new ATOM 0 HA ASP A 55 6.105 6.659 3.588 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.917 8.209 2.689 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.298 7.370 4.180 1.00 0.00 H new ATOM 809 N GLN A 56 6.025 7.641 1.078 1.00 0.00 N ATOM 810 CA GLN A 56 5.526 7.874 -0.272 1.00 0.00 C ATOM 811 C GLN A 56 6.649 8.337 -1.195 1.00 0.00 C ATOM 812 O GLN A 56 6.627 8.071 -2.397 1.00 0.00 O ATOM 813 CB GLN A 56 4.405 8.915 -0.251 1.00 0.00 C ATOM 814 CG GLN A 56 4.195 9.609 -1.588 1.00 0.00 C ATOM 815 CD GLN A 56 3.932 8.632 -2.717 1.00 0.00 C ATOM 816 OE1 GLN A 56 4.425 8.808 -3.832 1.00 0.00 O ATOM 817 NE2 GLN A 56 3.153 7.595 -2.434 1.00 0.00 N ATOM 0 H GLN A 56 6.058 8.474 1.665 1.00 0.00 H new ATOM 0 HA GLN A 56 5.131 6.933 -0.654 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.476 8.430 0.047 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.631 9.665 0.507 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.355 10.299 -1.507 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.076 10.205 -1.826 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.766 7.489 -1.496 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.942 6.904 -3.154 1.00 0.00 H new ATOM 915 N CYS A 62 9.145 -1.651 1.056 1.00 0.00 N ATOM 916 CA CYS A 62 8.893 -3.011 1.515 1.00 0.00 C ATOM 917 C CYS A 62 7.465 -3.439 1.190 1.00 0.00 C ATOM 918 O CYS A 62 6.549 -2.617 1.180 1.00 0.00 O ATOM 919 CB CYS A 62 9.140 -3.119 3.021 1.00 0.00 C ATOM 920 SG CYS A 62 8.895 -4.792 3.697 1.00 0.00 S ATOM 0 HA CYS A 62 9.581 -3.677 0.993 1.00 0.00 H new ATOM 0 HB2 CYS A 62 10.159 -2.798 3.235 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.473 -2.429 3.538 1.00 0.00 H new ATOM 0 HG CYS A 62 8.721 -4.719 4.983 1.00 0.00 H new ATOM 925 N GLN A 63 7.285 -4.729 0.927 1.00 0.00 N ATOM 926 CA GLN A 63 5.968 -5.265 0.602 1.00 0.00 C ATOM 927 C GLN A 63 5.199 -5.624 1.869 1.00 0.00 C ATOM 928 O GLN A 63 4.099 -5.122 2.103 1.00 0.00 O ATOM 929 CB GLN A 63 6.103 -6.498 -0.294 1.00 0.00 C ATOM 930 CG GLN A 63 6.176 -6.168 -1.776 1.00 0.00 C ATOM 931 CD GLN A 63 5.979 -7.386 -2.655 1.00 0.00 C ATOM 932 OE1 GLN A 63 6.355 -8.500 -2.288 1.00 0.00 O ATOM 933 NE2 GLN A 63 5.385 -7.182 -3.826 1.00 0.00 N ATOM 0 H GLN A 63 8.033 -5.422 0.932 1.00 0.00 H new ATOM 0 HA GLN A 63 5.412 -4.495 0.067 1.00 0.00 H new ATOM 0 HB2 GLN A 63 7.000 -7.048 -0.008 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.254 -7.159 -0.119 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.416 -5.424 -2.017 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.144 -5.718 -1.997 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.089 -6.243 -4.091 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.225 -7.965 -4.460 1.00 0.00 H new ATOM 942 N TYR A 64 5.784 -6.496 2.683 1.00 0.00 N ATOM 943 CA TYR A 64 5.152 -6.925 3.925 1.00 0.00 C ATOM 944 C TYR A 64 4.835 -5.728 4.817 1.00 0.00 C ATOM 945 O TYR A 64 3.675 -5.465 5.135 1.00 0.00 O ATOM 946 CB TYR A 64 6.059 -7.905 4.671 1.00 0.00 C ATOM 947 CG TYR A 64 5.715 -8.053 6.136 1.00 0.00 C ATOM 948 CD1 TYR A 64 4.741 -8.951 6.554 1.00 0.00 C ATOM 949 CD2 TYR A 64 6.364 -7.294 7.102 1.00 0.00 C ATOM 950 CE1 TYR A 64 4.423 -9.089 7.891 1.00 0.00 C ATOM 951 CE2 TYR A 64 6.053 -7.426 8.442 1.00 0.00 C ATOM 952 CZ TYR A 64 5.082 -8.325 8.831 1.00 0.00 C ATOM 953 OH TYR A 64 4.769 -8.459 10.165 1.00 0.00 O ATOM 0 H TYR A 64 6.695 -6.919 2.505 1.00 0.00 H new ATOM 0 HA TYR A 64 4.217 -7.425 3.673 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.997 -8.882 4.191 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.093 -7.571 4.581 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.223 -9.552 5.821 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.124 -6.589 6.801 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.662 -9.791 8.199 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.567 -6.829 9.180 1.00 0.00 H new ATOM 0 HH TYR A 64 5.325 -7.850 10.694 1.00 0.00 H new ATOM 963 N CYS A 65 5.876 -5.005 5.217 1.00 0.00 N ATOM 964 CA CYS A 65 5.712 -3.836 6.071 1.00 0.00 C ATOM 965 C CYS A 65 4.602 -2.929 5.546 1.00 0.00 C ATOM 966 O CYS A 65 3.640 -2.634 6.254 1.00 0.00 O ATOM 967 CB CYS A 65 7.024 -3.055 6.160 1.00 0.00 C ATOM 968 SG CYS A 65 8.287 -3.840 7.213 1.00 0.00 S ATOM 0 H CYS A 65 6.843 -5.209 4.963 1.00 0.00 H new ATOM 0 HA CYS A 65 5.434 -4.181 7.067 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.429 -2.931 5.156 1.00 0.00 H new ATOM 0 HB3 CYS A 65 6.815 -2.057 6.545 1.00 0.00 H new ATOM 0 HG CYS A 65 9.467 -3.621 6.712 1.00 0.00 H new ATOM 973 N ARG A 66 4.745 -2.491 4.299 1.00 0.00 N ATOM 974 CA ARG A 66 3.756 -1.618 3.678 1.00 0.00 C ATOM 975 C ARG A 66 2.349 -2.183 3.848 1.00 0.00 C ATOM 976 O ARG A 66 1.433 -1.479 4.276 1.00 0.00 O ATOM 977 CB ARG A 66 4.068 -1.434 2.192 1.00 0.00 C ATOM 978 CG ARG A 66 2.961 -0.735 1.419 1.00 0.00 C ATOM 979 CD ARG A 66 3.227 -0.757 -0.078 1.00 0.00 C ATOM 980 NE ARG A 66 2.046 -0.380 -0.849 1.00 0.00 N ATOM 981 CZ ARG A 66 2.100 0.120 -2.079 1.00 0.00 C ATOM 982 NH1 ARG A 66 3.271 0.301 -2.674 1.00 0.00 N ATOM 983 NH2 ARG A 66 0.981 0.439 -2.717 1.00 0.00 N ATOM 0 H ARG A 66 5.536 -2.726 3.699 1.00 0.00 H new ATOM 0 HA ARG A 66 3.802 -0.648 4.174 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.989 -0.859 2.091 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.251 -2.411 1.744 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.008 -1.221 1.627 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.874 0.297 1.759 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.045 -0.075 -0.311 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.550 -1.755 -0.374 1.00 0.00 H new ATOM 0 HE ARG A 66 1.129 -0.507 -0.420 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.133 0.056 -2.188 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.309 0.685 -3.618 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.078 0.301 -2.263 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.024 0.823 -3.661 1.00 0.00 H new ATOM 997 N LEU A 67 2.184 -3.457 3.510 1.00 0.00 N ATOM 998 CA LEU A 67 0.888 -4.118 3.624 1.00 0.00 C ATOM 999 C LEU A 67 0.373 -4.061 5.058 1.00 0.00 C ATOM 1000 O LEU A 67 -0.712 -3.541 5.320 1.00 0.00 O ATOM 1001 CB LEU A 67 0.993 -5.573 3.164 1.00 0.00 C ATOM 1002 CG LEU A 67 0.088 -6.572 3.887 1.00 0.00 C ATOM 1003 CD1 LEU A 67 -1.369 -6.333 3.522 1.00 0.00 C ATOM 1004 CD2 LEU A 67 0.497 -7.999 3.553 1.00 0.00 C ATOM 0 H LEU A 67 2.931 -4.053 3.155 1.00 0.00 H new ATOM 0 HA LEU A 67 0.181 -3.592 2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.767 -5.614 2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.027 -5.897 3.283 1.00 0.00 H new ATOM 0 HG LEU A 67 0.200 -6.425 4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.998 -7.053 4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.656 -5.322 3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.499 -6.452 2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.157 -8.697 4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.414 -8.159 2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.528 -8.165 3.866 1.00 0.00 H new ATOM 1016 N LYS A 68 1.159 -4.598 5.985 1.00 0.00 N ATOM 1017 CA LYS A 68 0.785 -4.607 7.395 1.00 0.00 C ATOM 1018 C LYS A 68 0.354 -3.217 7.852 1.00 0.00 C ATOM 1019 O LYS A 68 -0.702 -3.053 8.464 1.00 0.00 O ATOM 1020 CB LYS A 68 1.955 -5.097 8.251 1.00 0.00 C ATOM 1021 CG LYS A 68 2.333 -6.545 7.993 1.00 0.00 C ATOM 1022 CD LYS A 68 1.267 -7.499 8.504 1.00 0.00 C ATOM 1023 CE LYS A 68 1.522 -7.897 9.950 1.00 0.00 C ATOM 1024 NZ LYS A 68 0.546 -8.916 10.425 1.00 0.00 N ATOM 0 H LYS A 68 2.060 -5.033 5.785 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.057 -5.288 7.518 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.822 -4.465 8.062 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.698 -4.979 9.304 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.478 -6.699 6.924 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.283 -6.766 8.479 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.287 -7.029 8.422 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.246 -8.391 7.878 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.534 -8.291 10.045 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.463 -7.014 10.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.753 -9.161 11.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.418 -8.531 10.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.620 -9.769 9.835 1.00 0.00 H new ATOM 1038 N LYS A 69 1.176 -2.218 7.549 1.00 0.00 N ATOM 1039 CA LYS A 69 0.879 -0.841 7.926 1.00 0.00 C ATOM 1040 C LYS A 69 -0.607 -0.539 7.756 1.00 0.00 C ATOM 1041 O LYS A 69 -1.151 0.342 8.423 1.00 0.00 O ATOM 1042 CB LYS A 69 1.707 0.130 7.082 1.00 0.00 C ATOM 1043 CG LYS A 69 1.309 1.585 7.262 1.00 0.00 C ATOM 1044 CD LYS A 69 2.509 2.510 7.147 1.00 0.00 C ATOM 1045 CE LYS A 69 3.181 2.721 8.495 1.00 0.00 C ATOM 1046 NZ LYS A 69 4.645 2.950 8.355 1.00 0.00 N ATOM 0 H LYS A 69 2.054 -2.336 7.043 1.00 0.00 H new ATOM 0 HA LYS A 69 1.140 -0.714 8.977 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.760 0.016 7.340 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.605 -0.138 6.030 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.567 1.856 6.511 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.839 1.717 8.237 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.227 2.090 6.443 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.191 3.471 6.743 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.726 3.575 8.998 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.009 1.850 9.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.058 3.140 9.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.091 2.105 7.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.811 3.766 7.732 1.00 0.00 H new ATOM 1060 N CYS A 70 -1.257 -1.275 6.861 1.00 0.00 N ATOM 1061 CA CYS A 70 -2.681 -1.086 6.605 1.00 0.00 C ATOM 1062 C CYS A 70 -3.520 -1.686 7.729 1.00 0.00 C ATOM 1063 O CYS A 70 -4.426 -1.038 8.255 1.00 0.00 O ATOM 1064 CB CYS A 70 -3.068 -1.720 5.268 1.00 0.00 C ATOM 1065 SG CYS A 70 -2.068 -1.162 3.869 1.00 0.00 S ATOM 0 H CYS A 70 -0.821 -2.008 6.301 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.879 -0.015 6.561 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.982 -2.803 5.353 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -4.115 -1.499 5.063 1.00 0.00 H new ATOM 0 HG CYS A 70 -0.809 -1.348 4.134 1.00 0.00 H new ATOM 1071 N LEU A 71 -3.213 -2.927 8.091 1.00 0.00 N ATOM 1072 CA LEU A 71 -3.940 -3.615 9.151 1.00 0.00 C ATOM 1073 C LEU A 71 -3.675 -2.965 10.505 1.00 0.00 C ATOM 1074 O LEU A 71 -4.331 -3.281 11.498 1.00 0.00 O ATOM 1075 CB LEU A 71 -3.541 -5.092 9.195 1.00 0.00 C ATOM 1076 CG LEU A 71 -3.714 -5.872 7.891 1.00 0.00 C ATOM 1077 CD1 LEU A 71 -3.020 -7.222 7.982 1.00 0.00 C ATOM 1078 CD2 LEU A 71 -5.190 -6.050 7.568 1.00 0.00 C ATOM 0 H LEU A 71 -2.466 -3.477 7.666 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.006 -3.539 8.935 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.496 -5.157 9.498 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.129 -5.584 9.970 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.253 -5.302 7.085 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.153 -7.764 7.045 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.956 -7.073 8.166 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.452 -7.799 8.799 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.294 -6.607 6.637 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.676 -6.598 8.375 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.659 -5.072 7.460 1.00 0.00 H new ATOM 1090 N LYS A 72 -2.709 -2.053 10.538 1.00 0.00 N ATOM 1091 CA LYS A 72 -2.357 -1.354 11.769 1.00 0.00 C ATOM 1092 C LYS A 72 -3.066 -0.006 11.850 1.00 0.00 C ATOM 1093 O LYS A 72 -3.811 0.259 12.794 1.00 0.00 O ATOM 1094 CB LYS A 72 -0.842 -1.152 11.849 1.00 0.00 C ATOM 1095 CG LYS A 72 -0.387 -0.477 13.132 1.00 0.00 C ATOM 1096 CD LYS A 72 -0.454 1.036 13.020 1.00 0.00 C ATOM 1097 CE LYS A 72 0.295 1.713 14.158 1.00 0.00 C ATOM 1098 NZ LYS A 72 0.474 3.171 13.914 1.00 0.00 N ATOM 0 H LYS A 72 -2.155 -1.780 9.726 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.681 -1.966 12.611 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.349 -2.121 11.763 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.518 -0.553 10.998 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.012 -0.809 13.961 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.634 -0.781 13.362 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.030 1.350 12.066 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.496 1.357 13.027 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.250 1.565 15.090 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.271 1.243 14.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.989 3.596 14.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.016 3.312 13.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.457 3.624 13.822 1.00 0.00 H new ATOM 1112 N VAL A 73 -2.830 0.843 10.854 1.00 0.00 N ATOM 1113 CA VAL A 73 -3.448 2.162 10.812 1.00 0.00 C ATOM 1114 C VAL A 73 -4.947 2.076 11.079 1.00 0.00 C ATOM 1115 O VAL A 73 -5.527 2.956 11.715 1.00 0.00 O ATOM 1116 CB VAL A 73 -3.218 2.847 9.452 1.00 0.00 C ATOM 1117 CG1 VAL A 73 -1.744 3.165 9.257 1.00 0.00 C ATOM 1118 CG2 VAL A 73 -3.738 1.972 8.321 1.00 0.00 C ATOM 0 H VAL A 73 -2.215 0.640 10.066 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.976 2.757 11.594 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.772 3.786 9.439 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.601 3.649 8.291 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.408 3.833 10.050 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.165 2.242 9.290 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.568 2.471 7.367 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.213 1.017 8.330 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.806 1.801 8.455 1.00 0.00 H new ATOM 1128 N GLY A 74 -5.570 1.009 10.588 1.00 0.00 N ATOM 1129 CA GLY A 74 -6.996 0.827 10.783 1.00 0.00 C ATOM 1130 C GLY A 74 -7.636 0.023 9.669 1.00 0.00 C ATOM 1131 O GLY A 74 -8.664 -0.623 9.872 1.00 0.00 O ATOM 0 H GLY A 74 -5.112 0.267 10.058 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.168 0.324 11.735 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.478 1.802 10.846 1.00 0.00 H new ATOM 1135 N MET A 75 -7.027 0.062 8.488 1.00 0.00 N ATOM 1136 CA MET A 75 -7.545 -0.669 7.337 1.00 0.00 C ATOM 1137 C MET A 75 -7.828 -2.123 7.699 1.00 0.00 C ATOM 1138 O MET A 75 -6.917 -2.873 8.050 1.00 0.00 O ATOM 1139 CB MET A 75 -6.552 -0.604 6.176 1.00 0.00 C ATOM 1140 CG MET A 75 -6.152 0.813 5.797 1.00 0.00 C ATOM 1141 SD MET A 75 -5.192 0.879 4.272 1.00 0.00 S ATOM 1142 CE MET A 75 -6.438 0.423 3.068 1.00 0.00 C ATOM 0 H MET A 75 -6.175 0.592 8.303 1.00 0.00 H new ATOM 0 HA MET A 75 -8.481 -0.201 7.032 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.657 -1.167 6.442 1.00 0.00 H new ATOM 0 HB3 MET A 75 -6.990 -1.094 5.306 1.00 0.00 H new ATOM 0 HG2 MET A 75 -7.049 1.422 5.684 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.570 1.251 6.608 1.00 0.00 H new ATOM 0 HE1 MET A 75 -5.967 -0.104 2.238 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.177 -0.227 3.537 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.930 1.321 2.695 1.00 0.00 H new ATOM 1152 N ARG A 76 -9.095 -2.515 7.612 1.00 0.00 N ATOM 1153 CA ARG A 76 -9.497 -3.879 7.932 1.00 0.00 C ATOM 1154 C ARG A 76 -9.640 -4.715 6.663 1.00 0.00 C ATOM 1155 O ARG A 76 -9.787 -4.177 5.566 1.00 0.00 O ATOM 1156 CB ARG A 76 -10.816 -3.877 8.706 1.00 0.00 C ATOM 1157 CG ARG A 76 -11.986 -3.315 7.914 1.00 0.00 C ATOM 1158 CD ARG A 76 -13.101 -2.838 8.830 1.00 0.00 C ATOM 1159 NE ARG A 76 -14.219 -2.270 8.082 1.00 0.00 N ATOM 1160 CZ ARG A 76 -15.388 -1.958 8.630 1.00 0.00 C ATOM 1161 NH1 ARG A 76 -15.591 -2.158 9.925 1.00 0.00 N ATOM 1162 NH2 ARG A 76 -16.357 -1.445 7.883 1.00 0.00 N ATOM 0 H ARG A 76 -9.861 -1.907 7.322 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.720 -4.324 8.554 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.051 -4.897 9.010 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.692 -3.293 9.618 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.643 -2.486 7.295 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -12.370 -4.080 7.239 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -13.456 -3.673 9.434 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -12.709 -2.090 9.519 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.095 -2.104 7.083 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.849 -2.552 10.503 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -16.490 -1.918 10.343 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.205 -1.290 6.886 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -17.254 -1.206 8.305 1.00 0.00 H new ATOM 1176 N ARG A 77 -9.595 -6.034 6.822 1.00 0.00 N ATOM 1177 CA ARG A 77 -9.718 -6.945 5.690 1.00 0.00 C ATOM 1178 C ARG A 77 -11.185 -7.185 5.343 1.00 0.00 C ATOM 1179 O ARG A 77 -11.576 -7.115 4.178 1.00 0.00 O ATOM 1180 CB ARG A 77 -9.032 -8.276 6.001 1.00 0.00 C ATOM 1181 CG ARG A 77 -7.525 -8.160 6.165 1.00 0.00 C ATOM 1182 CD ARG A 77 -6.875 -9.526 6.318 1.00 0.00 C ATOM 1183 NE ARG A 77 -7.075 -10.362 5.137 1.00 0.00 N ATOM 1184 CZ ARG A 77 -6.284 -11.380 4.815 1.00 0.00 C ATOM 1185 NH1 ARG A 77 -5.247 -11.686 5.581 1.00 0.00 N ATOM 1186 NH2 ARG A 77 -6.532 -12.094 3.724 1.00 0.00 N ATOM 0 H ARG A 77 -9.474 -6.495 7.724 1.00 0.00 H new ATOM 0 HA ARG A 77 -9.229 -6.485 4.831 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.458 -8.690 6.915 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.249 -8.983 5.200 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.102 -7.649 5.300 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.299 -7.548 7.038 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.807 -9.401 6.497 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.289 -10.029 7.192 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.865 -10.153 4.526 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.054 -11.140 6.420 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.642 -12.468 5.331 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.330 -11.861 3.133 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.925 -12.875 3.477 1.00 0.00 H new ATOM 1200 N GLU A 78 -11.990 -7.470 6.362 1.00 0.00 N ATOM 1201 CA GLU A 78 -13.412 -7.722 6.163 1.00 0.00 C ATOM 1202 C GLU A 78 -14.009 -6.724 5.175 1.00 0.00 C ATOM 1203 O GLU A 78 -14.974 -7.028 4.475 1.00 0.00 O ATOM 1204 CB GLU A 78 -14.158 -7.645 7.497 1.00 0.00 C ATOM 1205 CG GLU A 78 -13.971 -6.323 8.223 1.00 0.00 C ATOM 1206 CD GLU A 78 -12.840 -6.367 9.232 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -11.865 -7.113 8.998 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -12.929 -5.657 10.255 1.00 0.00 O ATOM 0 H GLU A 78 -11.682 -7.532 7.332 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.523 -8.725 5.751 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.221 -7.805 7.319 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.817 -8.455 8.142 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.772 -5.537 7.494 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.897 -6.058 8.733 1.00 0.00 H new ATOM 1215 N ALA A 79 -13.428 -5.529 5.127 1.00 0.00 N ATOM 1216 CA ALA A 79 -13.901 -4.486 4.225 1.00 0.00 C ATOM 1217 C ALA A 79 -13.648 -4.863 2.769 1.00 0.00 C ATOM 1218 O ALA A 79 -14.555 -4.812 1.938 1.00 0.00 O ATOM 1219 CB ALA A 79 -13.230 -3.161 4.553 1.00 0.00 C ATOM 0 H ALA A 79 -12.630 -5.260 5.702 1.00 0.00 H new ATOM 0 HA ALA A 79 -14.977 -4.380 4.364 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.592 -2.391 3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.466 -2.878 5.579 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.150 -3.263 4.444 1.00 0.00 H new ATOM 1225 N VAL A 80 -12.410 -5.240 2.467 1.00 0.00 N ATOM 1226 CA VAL A 80 -12.038 -5.626 1.111 1.00 0.00 C ATOM 1227 C VAL A 80 -12.979 -6.695 0.566 1.00 0.00 C ATOM 1228 O VAL A 80 -13.307 -6.699 -0.620 1.00 0.00 O ATOM 1229 CB VAL A 80 -10.592 -6.153 1.054 1.00 0.00 C ATOM 1230 CG1 VAL A 80 -10.227 -6.560 -0.366 1.00 0.00 C ATOM 1231 CG2 VAL A 80 -9.623 -5.107 1.583 1.00 0.00 C ATOM 0 H VAL A 80 -11.648 -5.286 3.143 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.115 -4.730 0.495 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.520 -7.036 1.689 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.202 -6.930 -0.386 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.903 -7.345 -0.704 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.315 -5.697 -1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.606 -5.496 1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.695 -4.204 0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.873 -4.870 2.617 1.00 0.00 H new