USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 596 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 3 GLN : amide:sc= -1.56! C(o=-1.2!,f=-5.6!) USER MOD Set 1.2: B 114 TYR OH : rot 110:sc= -0.608 USER MOD Set 1.3: B 115 GLN : amide:sc= 0.973 K(o=-1.2,f=-4.8) USER MOD Set 1.4: B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 6 THR OG1 : rot -150:sc= -2.96! USER MOD Set 2.2: B 106 THR OG1 : rot 64:sc= -3.82! USER MOD Set 3.1: A 11 SER OG : rot -150:sc= -1.85! USER MOD Set 3.2: B 102 LYS NZ :NH3+ 139:sc= 0.519 (180deg=-0.375) USER MOD Single : A 2 LYS NZ :NH3+ 146:sc= 0.576 (180deg=-2.32!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 13 SER OG : rot 61:sc= -0.0236 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.507 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 178:sc= 1.15 USER MOD Single : A 23 ASN : amide:sc=-0.00768 K(o=-0.0077,f=-1.5!) USER MOD Single : A 25 SER OG : rot 180:sc= -0.58 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 59:sc= 1.19 USER MOD Single : A 31 THR OG1 : rot 140:sc= 0 USER MOD Single : A 32 MET CE :methyl -136:sc= -15.8! (180deg=-27.3!) USER MOD Single : A 33 GLN : amide:sc= -0.277 K(o=-0.28,f=-1.7!) USER MOD Single : A 34 ASN : amide:sc= -0.0646 X(o=-0.065,f=-0.48) USER MOD Single : B 103 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : B 108 THR OG1 : rot 52:sc= 0.688 USER MOD Single : B 111 SER OG : rot 180:sc= -0.341! USER MOD Single : B 113 SER OG : rot 108:sc= 1.16 USER MOD Single : B 120 TYR OH : rot 180:sc= -1.24 USER MOD Single : B 123 ASN : amide:sc= -0.455 X(o=-0.45,f=-0.57) USER MOD Single : B 125 SER OG : rot 180:sc= -0.623! USER MOD Single : B 129 SER OG : rot -78:sc= 0.0877 USER MOD Single : B 130 THR OG1 : rot 84:sc= 1.21 USER MOD Single : B 131 THR OG1 : rot 180:sc= 0 USER MOD Single : B 132 MET CE :methyl -168:sc= -22! (180deg=-22.9!) USER MOD Single : B 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 134 ASN : amide:sc= -0.0627 X(o=-0.063,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -12.947 -14.444 -18.754 1.00 0.00 N ATOM 21 CA LYS A 2 -12.811 -13.662 -17.520 1.00 0.00 C ATOM 22 C LYS A 2 -11.447 -13.871 -16.865 1.00 0.00 C ATOM 23 O LYS A 2 -10.839 -14.939 -16.981 1.00 0.00 O ATOM 24 CB LYS A 2 -13.928 -14.003 -16.527 1.00 0.00 C ATOM 25 CG LYS A 2 -15.026 -12.952 -16.461 1.00 0.00 C ATOM 26 CD LYS A 2 -15.480 -12.516 -17.848 1.00 0.00 C ATOM 27 CE LYS A 2 -15.809 -11.031 -17.893 1.00 0.00 C ATOM 28 NZ LYS A 2 -14.660 -10.224 -18.388 1.00 0.00 N ATOM 0 HA LYS A 2 -12.895 -12.611 -17.797 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.369 -14.960 -16.804 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.495 -14.127 -15.534 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.877 -13.351 -15.909 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.665 -12.085 -15.908 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.697 -12.737 -18.573 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -16.358 -13.092 -18.141 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -16.672 -10.869 -18.539 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.089 -10.691 -16.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.015 -9.414 -18.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.104 -9.879 -17.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.057 -10.815 -18.996 1.00 0.00 H new ATOM 42 N GLN A 3 -10.969 -12.845 -16.167 1.00 0.00 N ATOM 43 CA GLN A 3 -9.692 -12.931 -15.493 1.00 0.00 C ATOM 44 C GLN A 3 -9.810 -12.499 -14.059 1.00 0.00 C ATOM 45 O GLN A 3 -10.060 -11.334 -13.758 1.00 0.00 O ATOM 46 CB GLN A 3 -8.608 -12.108 -16.211 1.00 0.00 C ATOM 47 CG GLN A 3 -7.319 -12.020 -15.414 1.00 0.00 C ATOM 48 CD GLN A 3 -6.073 -11.922 -16.275 1.00 0.00 C ATOM 49 OE1 GLN A 3 -6.121 -11.474 -17.419 1.00 0.00 O ATOM 50 NE2 GLN A 3 -4.941 -12.318 -15.718 1.00 0.00 N ATOM 0 H GLN A 3 -11.449 -11.952 -16.058 1.00 0.00 H new ATOM 0 HA GLN A 3 -9.387 -13.977 -15.519 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -8.400 -12.556 -17.183 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -8.985 -11.102 -16.398 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -7.366 -11.150 -14.759 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -7.238 -12.898 -14.773 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -4.942 -12.684 -14.766 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -4.067 -12.257 -16.240 1.00 0.00 H new ATOM 59 N ARG A 4 -9.619 -13.462 -13.176 1.00 0.00 N ATOM 60 CA ARG A 4 -9.702 -13.212 -11.764 1.00 0.00 C ATOM 61 C ARG A 4 -8.431 -12.559 -11.263 1.00 0.00 C ATOM 62 O ARG A 4 -7.391 -13.207 -11.140 1.00 0.00 O ATOM 63 CB ARG A 4 -9.932 -14.519 -11.010 1.00 0.00 C ATOM 64 CG ARG A 4 -10.562 -14.322 -9.647 1.00 0.00 C ATOM 65 CD ARG A 4 -11.351 -15.558 -9.210 1.00 0.00 C ATOM 66 NE ARG A 4 -12.804 -15.356 -9.356 1.00 0.00 N ATOM 67 CZ ARG A 4 -13.665 -16.274 -9.800 1.00 0.00 C ATOM 68 NH1 ARG A 4 -13.285 -17.521 -9.995 1.00 0.00 N ATOM 69 NH2 ARG A 4 -14.923 -15.944 -10.014 1.00 0.00 N ATOM 0 H ARG A 4 -9.404 -14.428 -13.422 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.541 -12.539 -11.586 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -10.572 -15.167 -11.608 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -8.979 -15.034 -10.891 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -9.785 -14.107 -8.913 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -11.224 -13.457 -9.673 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -11.041 -16.417 -9.805 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -11.118 -15.790 -8.171 1.00 0.00 H new ATOM 0 HE ARG A 4 -13.180 -14.444 -9.098 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -12.321 -17.796 -9.806 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -13.955 -18.211 -10.335 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -15.236 -14.989 -9.840 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -15.583 -16.644 -10.353 1.00 0.00 H new ATOM 83 N ILE A 5 -8.541 -11.293 -10.905 1.00 0.00 N ATOM 84 CA ILE A 5 -7.424 -10.578 -10.333 1.00 0.00 C ATOM 85 C ILE A 5 -7.699 -10.524 -8.862 1.00 0.00 C ATOM 86 O ILE A 5 -8.663 -9.909 -8.425 1.00 0.00 O ATOM 87 CB ILE A 5 -7.214 -9.166 -10.929 1.00 0.00 C ATOM 88 CG1 ILE A 5 -7.705 -8.045 -10.008 1.00 0.00 C ATOM 89 CG2 ILE A 5 -7.891 -9.061 -12.284 1.00 0.00 C ATOM 90 CD1 ILE A 5 -6.916 -6.773 -10.179 1.00 0.00 C ATOM 0 H ILE A 5 -9.394 -10.742 -11.002 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.491 -11.093 -10.561 1.00 0.00 H new ATOM 0 HB ILE A 5 -6.138 -9.033 -11.041 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -8.757 -7.846 -10.211 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.637 -8.375 -8.971 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -7.735 -8.062 -12.692 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.465 -9.800 -12.962 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -8.960 -9.245 -12.172 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.304 -6.011 -9.504 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.867 -6.962 -9.949 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.005 -6.425 -11.208 1.00 0.00 H new ATOM 102 N THR A 6 -6.929 -11.252 -8.111 1.00 0.00 N ATOM 103 CA THR A 6 -7.178 -11.351 -6.699 1.00 0.00 C ATOM 104 C THR A 6 -6.017 -10.788 -5.887 1.00 0.00 C ATOM 105 O THR A 6 -4.910 -11.324 -5.911 1.00 0.00 O ATOM 106 CB THR A 6 -7.460 -12.820 -6.392 1.00 0.00 C ATOM 107 OG1 THR A 6 -8.168 -13.440 -7.454 1.00 0.00 O ATOM 108 CG2 THR A 6 -8.251 -13.052 -5.140 1.00 0.00 C ATOM 0 H THR A 6 -6.127 -11.785 -8.447 1.00 0.00 H new ATOM 0 HA THR A 6 -8.040 -10.749 -6.413 1.00 0.00 H new ATOM 0 HB THR A 6 -6.470 -13.255 -6.258 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.734 -14.156 -7.096 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.405 -14.122 -5.000 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.707 -12.649 -4.286 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.217 -12.554 -5.223 1.00 0.00 H new ATOM 116 N VAL A 7 -6.308 -9.746 -5.105 1.00 0.00 N ATOM 117 CA VAL A 7 -5.321 -9.140 -4.200 1.00 0.00 C ATOM 118 C VAL A 7 -5.602 -9.632 -2.787 1.00 0.00 C ATOM 119 O VAL A 7 -6.586 -9.219 -2.165 1.00 0.00 O ATOM 120 CB VAL A 7 -5.267 -7.561 -4.230 1.00 0.00 C ATOM 121 CG1 VAL A 7 -6.615 -6.934 -4.561 1.00 0.00 C ATOM 122 CG2 VAL A 7 -4.727 -6.986 -2.906 1.00 0.00 C ATOM 0 H VAL A 7 -7.225 -9.300 -5.079 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.338 -9.455 -4.551 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.576 -7.301 -5.032 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.519 -5.848 -4.568 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.944 -7.276 -5.542 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.348 -7.229 -3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.704 -5.898 -2.964 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.375 -7.292 -2.085 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.719 -7.361 -2.731 1.00 0.00 H new ATOM 132 N THR A 8 -4.765 -10.527 -2.286 1.00 0.00 N ATOM 133 CA THR A 8 -4.954 -11.060 -0.945 1.00 0.00 C ATOM 134 C THR A 8 -4.642 -9.989 0.103 1.00 0.00 C ATOM 135 O THR A 8 -3.553 -9.956 0.677 1.00 0.00 O ATOM 136 CB THR A 8 -4.111 -12.320 -0.748 1.00 0.00 C ATOM 137 OG1 THR A 8 -2.957 -12.304 -1.579 1.00 0.00 O ATOM 138 CG2 THR A 8 -4.873 -13.577 -1.071 1.00 0.00 C ATOM 0 H THR A 8 -3.955 -10.897 -2.782 1.00 0.00 H new ATOM 0 HA THR A 8 -5.998 -11.345 -0.818 1.00 0.00 H new ATOM 0 HB THR A 8 -3.831 -12.320 0.306 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.436 -13.121 -1.431 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.230 -14.443 -0.915 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.745 -13.651 -0.421 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.197 -13.549 -2.111 1.00 0.00 H new ATOM 146 N VAL A 9 -5.619 -9.103 0.316 1.00 0.00 N ATOM 147 CA VAL A 9 -5.492 -7.991 1.262 1.00 0.00 C ATOM 148 C VAL A 9 -5.549 -8.456 2.718 1.00 0.00 C ATOM 149 O VAL A 9 -5.232 -9.610 3.015 1.00 0.00 O ATOM 150 CB VAL A 9 -6.587 -6.936 1.034 1.00 0.00 C ATOM 151 CG1 VAL A 9 -6.660 -6.536 -0.429 1.00 0.00 C ATOM 152 CG2 VAL A 9 -7.921 -7.461 1.527 1.00 0.00 C ATOM 0 H VAL A 9 -6.519 -9.136 -0.162 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.513 -7.550 1.077 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.336 -6.041 1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.442 -5.789 -0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.702 -6.119 -0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.888 -7.413 -1.035 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.692 -6.708 1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.178 -8.369 0.982 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.853 -7.684 2.592 1.00 0.00 H new ATOM 162 N ASP A 10 -5.888 -7.519 3.630 1.00 0.00 N ATOM 163 CA ASP A 10 -5.916 -7.775 5.074 1.00 0.00 C ATOM 164 C ASP A 10 -4.551 -7.362 5.651 1.00 0.00 C ATOM 165 O ASP A 10 -4.427 -7.020 6.826 1.00 0.00 O ATOM 166 CB ASP A 10 -6.269 -9.239 5.391 1.00 0.00 C ATOM 167 CG ASP A 10 -6.332 -9.532 6.875 1.00 0.00 C ATOM 168 OD1 ASP A 10 -5.259 -9.695 7.489 1.00 0.00 O ATOM 169 OD2 ASP A 10 -7.453 -9.616 7.418 1.00 0.00 O ATOM 0 H ASP A 10 -6.149 -6.566 3.379 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.703 -7.184 5.543 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.231 -9.479 4.939 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.528 -9.892 4.930 1.00 0.00 H new ATOM 174 N SER A 11 -3.540 -7.340 4.765 1.00 0.00 N ATOM 175 CA SER A 11 -2.185 -6.917 5.108 1.00 0.00 C ATOM 176 C SER A 11 -1.789 -5.652 4.323 1.00 0.00 C ATOM 177 O SER A 11 -0.707 -5.103 4.539 1.00 0.00 O ATOM 178 CB SER A 11 -1.184 -8.039 4.828 1.00 0.00 C ATOM 179 OG SER A 11 -0.802 -8.685 6.032 1.00 0.00 O ATOM 0 H SER A 11 -3.648 -7.617 3.789 1.00 0.00 H new ATOM 0 HA SER A 11 -2.166 -6.685 6.173 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.626 -8.765 4.145 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.303 -7.631 4.333 1.00 0.00 H new ATOM 0 HG SER A 11 0.112 -9.026 5.944 1.00 0.00 H new ATOM 185 N ASP A 12 -2.690 -5.162 3.452 1.00 0.00 N ATOM 186 CA ASP A 12 -2.423 -3.940 2.704 1.00 0.00 C ATOM 187 C ASP A 12 -3.337 -2.794 3.184 1.00 0.00 C ATOM 188 O ASP A 12 -3.010 -2.121 4.164 1.00 0.00 O ATOM 189 CB ASP A 12 -2.550 -4.187 1.203 1.00 0.00 C ATOM 190 CG ASP A 12 -1.230 -4.593 0.574 1.00 0.00 C ATOM 191 OD1 ASP A 12 -0.916 -5.802 0.572 1.00 0.00 O ATOM 192 OD2 ASP A 12 -0.513 -3.699 0.081 1.00 0.00 O ATOM 0 H ASP A 12 -3.594 -5.593 3.257 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.395 -3.632 2.894 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.290 -4.968 1.027 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.919 -3.283 0.718 1.00 0.00 H new ATOM 197 N SER A 13 -4.476 -2.558 2.511 1.00 0.00 N ATOM 198 CA SER A 13 -5.401 -1.478 2.906 1.00 0.00 C ATOM 199 C SER A 13 -6.709 -1.503 2.076 1.00 0.00 C ATOM 200 O SER A 13 -7.344 -0.469 1.854 1.00 0.00 O ATOM 201 CB SER A 13 -4.709 -0.123 2.746 1.00 0.00 C ATOM 202 OG SER A 13 -4.561 0.529 3.999 1.00 0.00 O ATOM 0 H SER A 13 -4.778 -3.094 1.698 1.00 0.00 H new ATOM 0 HA SER A 13 -5.671 -1.636 3.950 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.730 -0.264 2.288 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.289 0.507 2.071 1.00 0.00 H new ATOM 0 HG SER A 13 -4.011 -0.024 4.592 1.00 0.00 H new ATOM 208 N TYR A 14 -7.111 -2.704 1.649 1.00 0.00 N ATOM 209 CA TYR A 14 -8.341 -2.920 0.864 1.00 0.00 C ATOM 210 C TYR A 14 -9.603 -2.708 1.697 1.00 0.00 C ATOM 211 O TYR A 14 -10.609 -2.204 1.195 1.00 0.00 O ATOM 212 CB TYR A 14 -8.337 -4.340 0.337 1.00 0.00 C ATOM 213 CG TYR A 14 -9.678 -5.012 0.405 1.00 0.00 C ATOM 214 CD1 TYR A 14 -10.070 -5.681 1.547 1.00 0.00 C ATOM 215 CD2 TYR A 14 -10.536 -4.979 -0.670 1.00 0.00 C ATOM 216 CE1 TYR A 14 -11.283 -6.316 1.621 1.00 0.00 C ATOM 217 CE2 TYR A 14 -11.759 -5.608 -0.618 1.00 0.00 C ATOM 218 CZ TYR A 14 -12.131 -6.285 0.533 1.00 0.00 C ATOM 219 OH TYR A 14 -13.350 -6.917 0.601 1.00 0.00 O ATOM 0 H TYR A 14 -6.592 -3.562 1.837 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.352 -2.194 0.051 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.996 -4.333 -0.698 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.617 -4.928 0.906 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.408 -5.705 2.400 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.246 -4.452 -1.567 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.572 -6.836 2.523 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.424 -5.574 -1.468 1.00 0.00 H new ATOM 0 HH TYR A 14 -13.827 -6.800 -0.247 1.00 0.00 H new ATOM 229 N GLN A 15 -9.560 -3.156 2.949 1.00 0.00 N ATOM 230 CA GLN A 15 -10.724 -3.085 3.826 1.00 0.00 C ATOM 231 C GLN A 15 -11.364 -1.688 3.848 1.00 0.00 C ATOM 232 O GLN A 15 -12.577 -1.567 3.725 1.00 0.00 O ATOM 233 CB GLN A 15 -10.370 -3.526 5.251 1.00 0.00 C ATOM 234 CG GLN A 15 -9.451 -4.743 5.327 1.00 0.00 C ATOM 235 CD GLN A 15 -8.233 -4.499 6.194 1.00 0.00 C ATOM 236 OE1 GLN A 15 -8.342 -4.362 7.407 1.00 0.00 O ATOM 237 NE2 GLN A 15 -7.063 -4.436 5.577 1.00 0.00 N ATOM 0 H GLN A 15 -8.733 -3.571 3.378 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.461 -3.774 3.413 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.893 -2.693 5.768 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -11.292 -3.748 5.789 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.010 -5.592 5.722 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.129 -5.014 4.322 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.013 -4.555 4.565 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.212 -4.268 6.114 1.00 0.00 H new ATOM 246 N LEU A 16 -10.556 -0.641 4.016 1.00 0.00 N ATOM 247 CA LEU A 16 -11.067 0.743 4.064 1.00 0.00 C ATOM 248 C LEU A 16 -12.017 1.073 2.892 1.00 0.00 C ATOM 249 O LEU A 16 -12.930 1.883 3.039 1.00 0.00 O ATOM 250 CB LEU A 16 -9.895 1.731 4.082 1.00 0.00 C ATOM 251 CG LEU A 16 -9.868 2.689 5.276 1.00 0.00 C ATOM 252 CD1 LEU A 16 -8.611 3.542 5.243 1.00 0.00 C ATOM 253 CD2 LEU A 16 -11.107 3.570 5.286 1.00 0.00 C ATOM 0 H LEU A 16 -9.544 -0.717 4.122 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.650 0.836 4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.963 1.165 4.070 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.923 2.320 3.165 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.862 2.096 6.191 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.607 4.218 6.098 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.733 2.898 5.285 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.590 4.124 4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.068 4.243 6.142 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.145 4.154 4.367 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.997 2.945 5.356 1.00 0.00 H new ATOM 265 N LEU A 17 -11.815 0.413 1.755 1.00 0.00 N ATOM 266 CA LEU A 17 -12.691 0.624 0.592 1.00 0.00 C ATOM 267 C LEU A 17 -14.010 -0.128 0.755 1.00 0.00 C ATOM 268 O LEU A 17 -15.089 0.467 0.783 1.00 0.00 O ATOM 269 CB LEU A 17 -12.030 0.222 -0.726 1.00 0.00 C ATOM 270 CG LEU A 17 -11.806 1.367 -1.733 1.00 0.00 C ATOM 271 CD1 LEU A 17 -12.005 0.868 -3.152 1.00 0.00 C ATOM 272 CD2 LEU A 17 -12.739 2.543 -1.473 1.00 0.00 C ATOM 0 H LEU A 17 -11.066 -0.264 1.608 1.00 0.00 H new ATOM 0 HA LEU A 17 -12.887 1.695 0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.066 -0.237 -0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.644 -0.542 -1.202 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.780 1.713 -1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -11.844 1.688 -3.852 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -11.294 0.068 -3.360 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -13.021 0.489 -3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.548 3.328 -2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.774 2.212 -1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.563 2.932 -0.470 1.00 0.00 H new ATOM 284 N LYS A 18 -13.895 -1.442 0.880 1.00 0.00 N ATOM 285 CA LYS A 18 -15.042 -2.328 1.056 1.00 0.00 C ATOM 286 C LYS A 18 -15.768 -2.012 2.348 1.00 0.00 C ATOM 287 O LYS A 18 -16.965 -2.270 2.485 1.00 0.00 O ATOM 288 CB LYS A 18 -14.566 -3.773 1.077 1.00 0.00 C ATOM 289 CG LYS A 18 -13.527 -3.992 2.150 1.00 0.00 C ATOM 290 CD LYS A 18 -13.889 -5.165 3.054 1.00 0.00 C ATOM 291 CE LYS A 18 -13.492 -4.904 4.498 1.00 0.00 C ATOM 292 NZ LYS A 18 -14.260 -5.760 5.451 1.00 0.00 N ATOM 0 H LYS A 18 -12.999 -1.929 0.862 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.732 -2.178 0.225 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -15.415 -4.435 1.249 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.149 -4.035 0.105 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.558 -4.176 1.686 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.427 -3.087 2.750 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.962 -5.350 2.999 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.392 -6.067 2.697 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.425 -5.091 4.621 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.661 -3.854 4.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.960 -5.551 6.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.276 -5.563 5.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.079 -6.762 5.240 1.00 0.00 H new ATOM 306 N ALA A 19 -15.024 -1.445 3.287 1.00 0.00 N ATOM 307 CA ALA A 19 -15.567 -1.067 4.578 1.00 0.00 C ATOM 308 C ALA A 19 -16.778 -0.166 4.380 1.00 0.00 C ATOM 309 O ALA A 19 -17.688 -0.131 5.208 1.00 0.00 O ATOM 310 CB ALA A 19 -14.510 -0.375 5.428 1.00 0.00 C ATOM 0 H ALA A 19 -14.032 -1.236 3.174 1.00 0.00 H new ATOM 0 HA ALA A 19 -15.880 -1.967 5.107 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -14.940 -0.101 6.391 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -13.670 -1.051 5.585 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.163 0.523 4.917 1.00 0.00 H new ATOM 316 N TYR A 20 -16.781 0.541 3.251 1.00 0.00 N ATOM 317 CA TYR A 20 -17.872 1.421 2.893 1.00 0.00 C ATOM 318 C TYR A 20 -18.929 0.646 2.120 1.00 0.00 C ATOM 319 O TYR A 20 -20.100 0.677 2.495 1.00 0.00 O ATOM 320 CB TYR A 20 -17.361 2.586 2.042 1.00 0.00 C ATOM 321 CG TYR A 20 -16.368 3.486 2.743 1.00 0.00 C ATOM 322 CD1 TYR A 20 -16.105 3.353 4.103 1.00 0.00 C ATOM 323 CD2 TYR A 20 -15.699 4.475 2.041 1.00 0.00 C ATOM 324 CE1 TYR A 20 -15.200 4.183 4.736 1.00 0.00 C ATOM 325 CE2 TYR A 20 -14.798 5.307 2.668 1.00 0.00 C ATOM 326 CZ TYR A 20 -14.551 5.159 4.016 1.00 0.00 C ATOM 327 OH TYR A 20 -13.655 5.988 4.647 1.00 0.00 O ATOM 0 H TYR A 20 -16.026 0.514 2.566 1.00 0.00 H new ATOM 0 HA TYR A 20 -18.312 1.820 3.807 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -16.896 2.185 1.141 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -18.213 3.186 1.721 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -16.616 2.590 4.672 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -15.887 4.596 0.984 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -15.003 4.066 5.791 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -14.286 6.073 2.105 1.00 0.00 H new ATOM 0 HH TYR A 20 -13.259 6.600 3.992 1.00 0.00 H new ATOM 337 N ASP A 21 -18.480 -0.058 1.050 1.00 0.00 N ATOM 338 CA ASP A 21 -19.350 -0.873 0.181 1.00 0.00 C ATOM 339 C ASP A 21 -18.852 -0.870 -1.271 1.00 0.00 C ATOM 340 O ASP A 21 -19.640 -0.771 -2.213 1.00 0.00 O ATOM 341 CB ASP A 21 -20.795 -0.373 0.223 1.00 0.00 C ATOM 342 CG ASP A 21 -20.997 0.992 -0.428 1.00 0.00 C ATOM 343 OD1 ASP A 21 -20.086 1.846 -0.347 1.00 0.00 O ATOM 344 OD2 ASP A 21 -22.075 1.203 -1.019 1.00 0.00 O ATOM 0 H ASP A 21 -17.499 -0.073 0.769 1.00 0.00 H new ATOM 0 HA ASP A 21 -19.315 -1.893 0.562 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -21.435 -1.101 -0.276 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -21.121 -0.321 1.262 1.00 0.00 H new ATOM 349 N VAL A 22 -17.541 -0.960 -1.451 1.00 0.00 N ATOM 350 CA VAL A 22 -16.960 -0.939 -2.784 1.00 0.00 C ATOM 351 C VAL A 22 -15.839 -1.963 -2.944 1.00 0.00 C ATOM 352 O VAL A 22 -14.662 -1.661 -2.726 1.00 0.00 O ATOM 353 CB VAL A 22 -16.455 0.488 -3.101 1.00 0.00 C ATOM 354 CG1 VAL A 22 -15.319 0.899 -2.175 1.00 0.00 C ATOM 355 CG2 VAL A 22 -16.037 0.611 -4.557 1.00 0.00 C ATOM 0 H VAL A 22 -16.863 -1.048 -0.694 1.00 0.00 H new ATOM 0 HA VAL A 22 -17.736 -1.218 -3.496 1.00 0.00 H new ATOM 0 HB VAL A 22 -17.286 1.172 -2.928 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -14.990 1.907 -2.428 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.666 0.879 -1.142 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -14.486 0.206 -2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.687 1.625 -4.751 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.235 -0.096 -4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.890 0.393 -5.200 1.00 0.00 H new ATOM 365 N ASN A 23 -16.202 -3.181 -3.353 1.00 0.00 N ATOM 366 CA ASN A 23 -15.208 -4.234 -3.565 1.00 0.00 C ATOM 367 C ASN A 23 -14.462 -4.013 -4.878 1.00 0.00 C ATOM 368 O ASN A 23 -14.340 -4.918 -5.700 1.00 0.00 O ATOM 369 CB ASN A 23 -15.838 -5.620 -3.558 1.00 0.00 C ATOM 370 CG ASN A 23 -16.281 -6.064 -2.178 1.00 0.00 C ATOM 371 OD1 ASN A 23 -16.604 -5.245 -1.320 1.00 0.00 O ATOM 372 ND2 ASN A 23 -16.302 -7.369 -1.953 1.00 0.00 N ATOM 0 H ASN A 23 -17.165 -3.460 -3.542 1.00 0.00 H new ATOM 0 HA ASN A 23 -14.503 -4.180 -2.735 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -16.697 -5.625 -4.228 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -15.121 -6.340 -3.953 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -16.593 -7.725 -1.043 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -16.027 -8.018 -2.690 1.00 0.00 H new ATOM 379 N ILE A 24 -13.968 -2.791 -5.023 1.00 0.00 N ATOM 380 CA ILE A 24 -13.190 -2.285 -6.141 1.00 0.00 C ATOM 381 C ILE A 24 -13.472 -2.795 -7.561 1.00 0.00 C ATOM 382 O ILE A 24 -12.724 -2.444 -8.472 1.00 0.00 O ATOM 383 CB ILE A 24 -11.719 -2.408 -5.852 1.00 0.00 C ATOM 384 CG1 ILE A 24 -11.408 -3.635 -5.018 1.00 0.00 C ATOM 385 CG2 ILE A 24 -11.228 -1.159 -5.152 1.00 0.00 C ATOM 386 CD1 ILE A 24 -11.716 -4.901 -5.725 1.00 0.00 C ATOM 0 H ILE A 24 -14.112 -2.077 -4.309 1.00 0.00 H new ATOM 0 HA ILE A 24 -13.540 -1.254 -6.190 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.199 -2.521 -6.803 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.353 -3.625 -4.743 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -11.979 -3.593 -4.091 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.162 -1.253 -4.945 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -11.398 -0.293 -5.791 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -11.770 -1.030 -4.215 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -11.474 -5.746 -5.080 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.776 -4.929 -5.976 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.125 -4.961 -6.639 1.00 0.00 H new ATOM 398 N SER A 25 -14.484 -3.611 -7.758 1.00 0.00 N ATOM 399 CA SER A 25 -14.784 -4.143 -9.093 1.00 0.00 C ATOM 400 C SER A 25 -14.531 -3.075 -10.176 1.00 0.00 C ATOM 401 O SER A 25 -13.615 -3.220 -11.010 1.00 0.00 O ATOM 402 CB SER A 25 -16.240 -4.616 -9.118 1.00 0.00 C ATOM 403 OG SER A 25 -17.120 -3.619 -9.615 1.00 0.00 O ATOM 0 H SER A 25 -15.117 -3.926 -7.023 1.00 0.00 H new ATOM 0 HA SER A 25 -14.126 -4.985 -9.308 1.00 0.00 H new ATOM 0 HB2 SER A 25 -16.319 -5.509 -9.737 1.00 0.00 H new ATOM 0 HB3 SER A 25 -16.546 -4.898 -8.111 1.00 0.00 H new ATOM 0 HG SER A 25 -18.038 -3.963 -9.615 1.00 0.00 H new ATOM 409 N GLY A 26 -15.295 -1.982 -10.125 1.00 0.00 N ATOM 410 CA GLY A 26 -15.109 -0.893 -11.071 1.00 0.00 C ATOM 411 C GLY A 26 -13.894 -0.047 -10.733 1.00 0.00 C ATOM 412 O GLY A 26 -13.302 0.579 -11.617 1.00 0.00 O ATOM 0 H GLY A 26 -16.040 -1.833 -9.444 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.999 -1.301 -12.076 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.999 -0.263 -11.078 1.00 0.00 H new ATOM 416 N LEU A 27 -13.515 -0.039 -9.450 1.00 0.00 N ATOM 417 CA LEU A 27 -12.364 0.714 -8.986 1.00 0.00 C ATOM 418 C LEU A 27 -11.075 0.151 -9.576 1.00 0.00 C ATOM 419 O LEU A 27 -10.369 0.868 -10.286 1.00 0.00 O ATOM 420 CB LEU A 27 -12.295 0.698 -7.461 1.00 0.00 C ATOM 421 CG LEU A 27 -11.204 1.581 -6.849 1.00 0.00 C ATOM 422 CD1 LEU A 27 -9.867 0.856 -6.862 1.00 0.00 C ATOM 423 CD2 LEU A 27 -11.103 2.898 -7.599 1.00 0.00 C ATOM 0 H LEU A 27 -14.000 -0.554 -8.715 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.476 1.745 -9.322 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.260 1.015 -7.066 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.137 -0.329 -7.131 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.471 1.795 -5.814 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.102 1.496 -6.424 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.946 -0.064 -6.282 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.594 0.615 -7.889 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.323 3.513 -7.151 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.857 2.704 -8.643 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.056 3.423 -7.542 1.00 0.00 H new ATOM 435 N VAL A 28 -10.769 -1.131 -9.297 1.00 0.00 N ATOM 436 CA VAL A 28 -9.570 -1.755 -9.833 1.00 0.00 C ATOM 437 C VAL A 28 -9.369 -1.366 -11.304 1.00 0.00 C ATOM 438 O VAL A 28 -8.474 -0.584 -11.618 1.00 0.00 O ATOM 439 CB VAL A 28 -9.655 -3.282 -9.681 1.00 0.00 C ATOM 440 CG1 VAL A 28 -8.527 -3.967 -10.420 1.00 0.00 C ATOM 441 CG2 VAL A 28 -9.646 -3.666 -8.208 1.00 0.00 C ATOM 0 H VAL A 28 -11.337 -1.740 -8.708 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.709 -1.397 -9.269 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.593 -3.617 -10.123 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.613 -5.046 -10.295 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.583 -3.719 -11.480 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.571 -3.630 -10.018 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.707 -4.750 -8.114 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.724 -3.313 -7.746 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.501 -3.210 -7.708 1.00 0.00 H new ATOM 451 N SER A 29 -10.209 -1.897 -12.198 1.00 0.00 N ATOM 452 CA SER A 29 -10.119 -1.588 -13.629 1.00 0.00 C ATOM 453 C SER A 29 -10.038 -0.077 -13.914 1.00 0.00 C ATOM 454 O SER A 29 -9.366 0.329 -14.852 1.00 0.00 O ATOM 455 CB SER A 29 -11.324 -2.173 -14.369 1.00 0.00 C ATOM 456 OG SER A 29 -12.531 -1.545 -13.963 1.00 0.00 O ATOM 0 H SER A 29 -10.960 -2.544 -11.956 1.00 0.00 H new ATOM 0 HA SER A 29 -9.193 -2.040 -13.986 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.190 -2.048 -15.443 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.386 -3.244 -14.178 1.00 0.00 H new ATOM 0 HG SER A 29 -13.284 -1.937 -14.452 1.00 0.00 H new ATOM 462 N THR A 30 -10.698 0.769 -13.125 1.00 0.00 N ATOM 463 CA THR A 30 -10.626 2.205 -13.381 1.00 0.00 C ATOM 464 C THR A 30 -9.289 2.750 -12.938 1.00 0.00 C ATOM 465 O THR A 30 -8.596 3.425 -13.704 1.00 0.00 O ATOM 466 CB THR A 30 -11.730 2.979 -12.671 1.00 0.00 C ATOM 467 OG1 THR A 30 -13.010 2.528 -13.077 1.00 0.00 O ATOM 468 CG2 THR A 30 -11.649 4.469 -12.944 1.00 0.00 C ATOM 0 H THR A 30 -11.272 0.496 -12.327 1.00 0.00 H new ATOM 0 HA THR A 30 -10.754 2.337 -14.455 1.00 0.00 H new ATOM 0 HB THR A 30 -11.586 2.801 -11.605 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.100 1.573 -12.874 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.455 4.980 -12.418 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.689 4.851 -12.596 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.744 4.648 -14.015 1.00 0.00 H new ATOM 476 N THR A 31 -8.926 2.460 -11.694 1.00 0.00 N ATOM 477 CA THR A 31 -7.667 2.935 -11.163 1.00 0.00 C ATOM 478 C THR A 31 -6.506 2.465 -12.042 1.00 0.00 C ATOM 479 O THR A 31 -5.473 3.136 -12.145 1.00 0.00 O ATOM 480 CB THR A 31 -7.474 2.509 -9.703 1.00 0.00 C ATOM 481 OG1 THR A 31 -7.693 3.609 -8.836 1.00 0.00 O ATOM 482 CG2 THR A 31 -6.096 1.976 -9.394 1.00 0.00 C ATOM 0 H THR A 31 -9.483 1.904 -11.045 1.00 0.00 H new ATOM 0 HA THR A 31 -7.684 4.025 -11.176 1.00 0.00 H new ATOM 0 HB THR A 31 -8.197 1.708 -9.548 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.185 3.308 -8.044 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.041 1.697 -8.342 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.897 1.101 -10.012 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.353 2.745 -9.604 1.00 0.00 H new ATOM 490 N MET A 32 -6.706 1.320 -12.698 1.00 0.00 N ATOM 491 CA MET A 32 -5.713 0.747 -13.595 1.00 0.00 C ATOM 492 C MET A 32 -5.278 1.741 -14.661 1.00 0.00 C ATOM 493 O MET A 32 -4.098 1.993 -14.823 1.00 0.00 O ATOM 494 CB MET A 32 -6.286 -0.477 -14.287 1.00 0.00 C ATOM 495 CG MET A 32 -6.546 -1.655 -13.378 1.00 0.00 C ATOM 496 SD MET A 32 -5.584 -1.627 -11.861 1.00 0.00 S ATOM 497 CE MET A 32 -5.719 -3.346 -11.384 1.00 0.00 C ATOM 0 H MET A 32 -7.561 0.769 -12.619 1.00 0.00 H new ATOM 0 HA MET A 32 -4.847 0.477 -12.990 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.221 -0.198 -14.773 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.598 -0.788 -15.073 1.00 0.00 H new ATOM 0 HG2 MET A 32 -7.606 -1.679 -13.125 1.00 0.00 H new ATOM 0 HG3 MET A 32 -6.326 -2.575 -13.919 1.00 0.00 H new ATOM 0 HE1 MET A 32 -5.926 -3.412 -10.316 1.00 0.00 H new ATOM 0 HE2 MET A 32 -6.530 -3.815 -11.941 1.00 0.00 H new ATOM 0 HE3 MET A 32 -4.783 -3.859 -11.605 1.00 0.00 H new ATOM 507 N GLN A 33 -6.240 2.291 -15.396 1.00 0.00 N ATOM 508 CA GLN A 33 -5.938 3.251 -16.459 1.00 0.00 C ATOM 509 C GLN A 33 -5.143 4.447 -15.930 1.00 0.00 C ATOM 510 O GLN A 33 -4.282 4.988 -16.627 1.00 0.00 O ATOM 511 CB GLN A 33 -7.233 3.697 -17.145 1.00 0.00 C ATOM 512 CG GLN A 33 -7.729 5.088 -16.752 1.00 0.00 C ATOM 513 CD GLN A 33 -7.401 6.148 -17.788 1.00 0.00 C ATOM 514 OE1 GLN A 33 -7.300 5.864 -18.978 1.00 0.00 O ATOM 515 NE2 GLN A 33 -7.233 7.384 -17.341 1.00 0.00 N ATOM 0 H GLN A 33 -7.233 2.091 -15.278 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.307 2.757 -17.198 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.081 3.674 -18.224 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.015 2.972 -16.918 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.808 5.055 -16.603 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.284 5.370 -15.798 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.325 7.583 -16.345 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.012 8.137 -17.993 1.00 0.00 H new ATOM 524 N ASN A 34 -5.407 4.830 -14.684 1.00 0.00 N ATOM 525 CA ASN A 34 -4.691 5.933 -14.053 1.00 0.00 C ATOM 526 C ASN A 34 -3.298 5.468 -13.636 1.00 0.00 C ATOM 527 O ASN A 34 -2.295 6.122 -13.937 1.00 0.00 O ATOM 528 CB ASN A 34 -5.482 6.442 -12.845 1.00 0.00 C ATOM 529 CG ASN A 34 -5.687 7.941 -12.840 1.00 0.00 C ATOM 530 OD1 ASN A 34 -4.852 8.704 -13.324 1.00 0.00 O ATOM 531 ND2 ASN A 34 -6.808 8.370 -12.277 1.00 0.00 N ATOM 0 H ASN A 34 -6.112 4.392 -14.091 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.584 6.754 -14.762 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.455 5.951 -12.826 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.961 6.152 -11.932 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.006 9.370 -12.233 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.472 7.701 -11.888 1.00 0.00 H new ATOM 538 N GLU A 35 -3.242 4.308 -12.978 1.00 0.00 N ATOM 539 CA GLU A 35 -1.973 3.723 -12.555 1.00 0.00 C ATOM 540 C GLU A 35 -1.157 3.288 -13.772 1.00 0.00 C ATOM 541 O GLU A 35 0.062 3.323 -13.751 1.00 0.00 O ATOM 542 CB GLU A 35 -2.211 2.527 -11.632 1.00 0.00 C ATOM 543 CG GLU A 35 -1.132 2.367 -10.574 1.00 0.00 C ATOM 544 CD GLU A 35 -1.009 3.583 -9.684 1.00 0.00 C ATOM 545 OE1 GLU A 35 -1.994 3.924 -9.002 1.00 0.00 O ATOM 546 OE2 GLU A 35 0.073 4.209 -9.672 1.00 0.00 O ATOM 0 H GLU A 35 -4.063 3.757 -12.728 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.414 4.481 -12.006 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.178 2.641 -11.142 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.262 1.618 -12.231 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.355 1.493 -9.961 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.175 2.179 -11.061 1.00 0.00 H new ATOM 553 N ALA A 36 -1.855 2.887 -14.829 1.00 0.00 N ATOM 554 CA ALA A 36 -1.229 2.452 -16.071 1.00 0.00 C ATOM 555 C ALA A 36 -0.643 3.634 -16.820 1.00 0.00 C ATOM 556 O ALA A 36 0.440 3.540 -17.397 1.00 0.00 O ATOM 557 CB ALA A 36 -2.254 1.729 -16.938 1.00 0.00 C ATOM 0 H ALA A 36 -2.874 2.855 -14.848 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.416 1.766 -15.832 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.782 1.405 -17.866 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.635 0.860 -16.402 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.078 2.405 -17.167 1.00 0.00 H new ATOM 563 N ARG A 37 -1.355 4.755 -16.813 1.00 0.00 N ATOM 564 CA ARG A 37 -0.861 5.939 -17.492 1.00 0.00 C ATOM 565 C ARG A 37 0.327 6.514 -16.759 1.00 0.00 C ATOM 566 O ARG A 37 1.391 6.734 -17.338 1.00 0.00 O ATOM 567 CB ARG A 37 -1.915 7.027 -17.562 1.00 0.00 C ATOM 568 CG ARG A 37 -2.481 7.249 -18.956 1.00 0.00 C ATOM 569 CD ARG A 37 -1.379 7.313 -20.002 1.00 0.00 C ATOM 570 NE ARG A 37 -1.860 6.957 -21.337 1.00 0.00 N ATOM 571 CZ ARG A 37 -1.085 6.910 -22.414 1.00 0.00 C ATOM 572 NH1 ARG A 37 0.196 7.222 -22.329 1.00 0.00 N ATOM 573 NH2 ARG A 37 -1.594 6.554 -23.576 1.00 0.00 N ATOM 0 H ARG A 37 -2.259 4.866 -16.353 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.585 5.625 -18.499 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.731 6.773 -16.886 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.483 7.961 -17.203 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.171 6.442 -19.202 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.055 8.176 -18.973 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.961 8.319 -20.025 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.571 6.639 -19.717 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.849 6.732 -21.447 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.595 7.501 -21.432 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.786 7.184 -23.160 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.583 6.315 -23.648 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.999 6.518 -24.404 1.00 0.00 H new ATOM 587 N ARG A 38 0.108 6.808 -15.488 1.00 0.00 N ATOM 588 CA ARG A 38 1.140 7.416 -14.678 1.00 0.00 C ATOM 589 C ARG A 38 2.188 6.401 -14.185 1.00 0.00 C ATOM 590 O ARG A 38 3.370 6.733 -14.096 1.00 0.00 O ATOM 591 CB ARG A 38 0.527 8.161 -13.489 1.00 0.00 C ATOM 592 CG ARG A 38 -0.342 9.346 -13.890 1.00 0.00 C ATOM 593 CD ARG A 38 0.406 10.347 -14.765 1.00 0.00 C ATOM 594 NE ARG A 38 1.348 11.164 -13.991 1.00 0.00 N ATOM 595 CZ ARG A 38 1.720 12.401 -14.314 1.00 0.00 C ATOM 596 NH1 ARG A 38 1.275 12.978 -15.415 1.00 0.00 N ATOM 597 NH2 ARG A 38 2.559 13.058 -13.535 1.00 0.00 N ATOM 0 H ARG A 38 -0.771 6.635 -15.001 1.00 0.00 H new ATOM 0 HA ARG A 38 1.659 8.127 -15.321 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.073 7.463 -12.905 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.329 8.513 -12.840 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.220 8.984 -14.426 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.701 9.850 -12.993 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.948 9.812 -15.545 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.312 10.998 -15.264 1.00 0.00 H new ATOM 0 HE ARG A 38 1.746 10.755 -13.146 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.637 12.475 -16.032 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.569 13.926 -15.649 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.920 12.618 -12.689 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.846 14.006 -13.779 1.00 0.00 H new ATOM 1184 N LYS B 102 -5.541 -13.597 5.561 1.00 0.00 N ATOM 1185 CA LYS B 102 -5.537 -12.590 4.492 1.00 0.00 C ATOM 1186 C LYS B 102 -6.903 -12.548 3.799 1.00 0.00 C ATOM 1187 O LYS B 102 -7.596 -13.567 3.719 1.00 0.00 O ATOM 1188 CB LYS B 102 -4.432 -12.887 3.469 1.00 0.00 C ATOM 1189 CG LYS B 102 -3.023 -12.787 4.039 1.00 0.00 C ATOM 1190 CD LYS B 102 -2.658 -11.350 4.388 1.00 0.00 C ATOM 1191 CE LYS B 102 -1.959 -11.259 5.737 1.00 0.00 C ATOM 1192 NZ LYS B 102 -2.801 -10.566 6.754 1.00 0.00 N ATOM 0 HA LYS B 102 -5.338 -11.616 4.939 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -4.581 -13.889 3.068 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -4.526 -12.192 2.634 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -2.946 -13.409 4.931 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -2.309 -13.178 3.315 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -2.009 -10.941 3.614 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -3.560 -10.739 4.404 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -1.717 -12.262 6.089 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -1.016 -10.725 5.622 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -2.720 -11.059 7.666 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -2.477 -9.584 6.862 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -3.794 -10.571 6.445 1.00 0.00 H new ATOM 1206 N GLN B 103 -7.304 -11.369 3.319 1.00 0.00 N ATOM 1207 CA GLN B 103 -8.609 -11.224 2.668 1.00 0.00 C ATOM 1208 C GLN B 103 -8.508 -11.213 1.152 1.00 0.00 C ATOM 1209 O GLN B 103 -7.962 -10.293 0.545 1.00 0.00 O ATOM 1210 CB GLN B 103 -9.333 -9.967 3.186 1.00 0.00 C ATOM 1211 CG GLN B 103 -10.420 -9.431 2.252 1.00 0.00 C ATOM 1212 CD GLN B 103 -11.825 -9.647 2.783 1.00 0.00 C ATOM 1213 OE1 GLN B 103 -12.289 -8.922 3.663 1.00 0.00 O ATOM 1214 NE2 GLN B 103 -12.516 -10.638 2.239 1.00 0.00 N ATOM 0 H GLN B 103 -6.753 -10.512 3.367 1.00 0.00 H new ATOM 0 HA GLN B 103 -9.199 -12.102 2.931 1.00 0.00 H new ATOM 0 HB2 GLN B 103 -9.782 -10.194 4.153 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -8.596 -9.182 3.354 1.00 0.00 H new ATOM 0 HG2 GLN B 103 -10.259 -8.365 2.092 1.00 0.00 H new ATOM 0 HG3 GLN B 103 -10.327 -9.917 1.281 1.00 0.00 H new ATOM 0 HE21 GLN B 103 -12.094 -11.215 1.512 1.00 0.00 H new ATOM 0 HE22 GLN B 103 -13.470 -10.824 2.547 1.00 0.00 H new ATOM 1223 N ARG B 104 -9.029 -12.273 0.554 1.00 0.00 N ATOM 1224 CA ARG B 104 -8.990 -12.435 -0.885 1.00 0.00 C ATOM 1225 C ARG B 104 -10.056 -11.632 -1.621 1.00 0.00 C ATOM 1226 O ARG B 104 -11.207 -12.051 -1.735 1.00 0.00 O ATOM 1227 CB ARG B 104 -9.145 -13.900 -1.257 1.00 0.00 C ATOM 1228 CG ARG B 104 -8.255 -14.303 -2.405 1.00 0.00 C ATOM 1229 CD ARG B 104 -8.232 -15.801 -2.582 1.00 0.00 C ATOM 1230 NE ARG B 104 -6.871 -16.323 -2.558 1.00 0.00 N ATOM 1231 CZ ARG B 104 -6.158 -16.515 -1.458 1.00 0.00 C ATOM 1232 NH1 ARG B 104 -6.681 -16.304 -0.265 1.00 0.00 N ATOM 1233 NH2 ARG B 104 -4.919 -16.936 -1.564 1.00 0.00 N ATOM 0 H ARG B 104 -9.486 -13.038 1.050 1.00 0.00 H new ATOM 0 HA ARG B 104 -8.018 -12.053 -1.197 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -8.915 -14.518 -0.389 1.00 0.00 H new ATOM 0 HB3 ARG B 104 -10.184 -14.096 -1.521 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -8.606 -13.832 -3.323 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -7.243 -13.940 -2.228 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -8.816 -16.271 -1.791 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -8.707 -16.064 -3.527 1.00 0.00 H new ATOM 0 HE ARG B 104 -6.437 -16.557 -3.451 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -7.647 -15.989 -0.180 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -6.119 -16.456 0.572 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -4.517 -17.111 -2.485 1.00 0.00 H new ATOM 0 HH22 ARG B 104 -4.359 -17.088 -0.725 1.00 0.00 H new ATOM 1247 N ILE B 105 -9.632 -10.513 -2.179 1.00 0.00 N ATOM 1248 CA ILE B 105 -10.507 -9.681 -2.985 1.00 0.00 C ATOM 1249 C ILE B 105 -10.077 -9.858 -4.417 1.00 0.00 C ATOM 1250 O ILE B 105 -8.886 -9.755 -4.732 1.00 0.00 O ATOM 1251 CB ILE B 105 -10.452 -8.187 -2.610 1.00 0.00 C ATOM 1252 CG1 ILE B 105 -9.572 -7.412 -3.600 1.00 0.00 C ATOM 1253 CG2 ILE B 105 -9.935 -8.042 -1.193 1.00 0.00 C ATOM 1254 CD1 ILE B 105 -9.418 -5.943 -3.283 1.00 0.00 C ATOM 0 H ILE B 105 -8.680 -10.157 -2.088 1.00 0.00 H new ATOM 0 HA ILE B 105 -11.538 -9.992 -2.815 1.00 0.00 H new ATOM 0 HB ILE B 105 -11.456 -7.766 -2.663 1.00 0.00 H new ATOM 0 HG12 ILE B 105 -8.584 -7.871 -3.625 1.00 0.00 H new ATOM 0 HG13 ILE B 105 -9.995 -7.513 -4.599 1.00 0.00 H new ATOM 0 HG21 ILE B 105 -9.896 -6.986 -0.926 1.00 0.00 H new ATOM 0 HG22 ILE B 105 -10.602 -8.565 -0.507 1.00 0.00 H new ATOM 0 HG23 ILE B 105 -8.935 -8.471 -1.125 1.00 0.00 H new ATOM 0 HD11 ILE B 105 -8.781 -5.474 -4.033 1.00 0.00 H new ATOM 0 HD12 ILE B 105 -10.398 -5.465 -3.288 1.00 0.00 H new ATOM 0 HD13 ILE B 105 -8.964 -5.829 -2.299 1.00 0.00 H new ATOM 1266 N THR B 106 -11.003 -10.164 -5.284 1.00 0.00 N ATOM 1267 CA THR B 106 -10.640 -10.376 -6.658 1.00 0.00 C ATOM 1268 C THR B 106 -11.540 -9.628 -7.622 1.00 0.00 C ATOM 1269 O THR B 106 -12.761 -9.778 -7.596 1.00 0.00 O ATOM 1270 CB THR B 106 -10.602 -11.879 -6.974 1.00 0.00 C ATOM 1271 OG1 THR B 106 -11.182 -12.138 -8.234 1.00 0.00 O ATOM 1272 CG2 THR B 106 -11.308 -12.756 -5.959 1.00 0.00 C ATOM 0 H THR B 106 -11.995 -10.271 -5.070 1.00 0.00 H new ATOM 0 HA THR B 106 -9.640 -9.965 -6.798 1.00 0.00 H new ATOM 0 HB THR B 106 -9.542 -12.133 -6.953 1.00 0.00 H new ATOM 0 HG1 THR B 106 -10.649 -11.707 -8.934 1.00 0.00 H new ATOM 0 HG21 THR B 106 -11.230 -13.800 -6.263 1.00 0.00 H new ATOM 0 HG22 THR B 106 -10.843 -12.627 -4.981 1.00 0.00 H new ATOM 0 HG23 THR B 106 -12.359 -12.472 -5.901 1.00 0.00 H new ATOM 1280 N VAL B 107 -10.922 -8.885 -8.536 1.00 0.00 N ATOM 1281 CA VAL B 107 -11.658 -8.195 -9.573 1.00 0.00 C ATOM 1282 C VAL B 107 -11.542 -9.035 -10.839 1.00 0.00 C ATOM 1283 O VAL B 107 -10.613 -8.869 -11.626 1.00 0.00 O ATOM 1284 CB VAL B 107 -11.166 -6.722 -9.809 1.00 0.00 C ATOM 1285 CG1 VAL B 107 -10.931 -6.404 -11.296 1.00 0.00 C ATOM 1286 CG2 VAL B 107 -12.179 -5.776 -9.216 1.00 0.00 C ATOM 0 H VAL B 107 -9.912 -8.750 -8.573 1.00 0.00 H new ATOM 0 HA VAL B 107 -12.699 -8.090 -9.267 1.00 0.00 H new ATOM 0 HB VAL B 107 -10.200 -6.602 -9.318 1.00 0.00 H new ATOM 0 HG11 VAL B 107 -10.592 -5.373 -11.398 1.00 0.00 H new ATOM 0 HG12 VAL B 107 -10.173 -7.077 -11.696 1.00 0.00 H new ATOM 0 HG13 VAL B 107 -11.862 -6.537 -11.848 1.00 0.00 H new ATOM 0 HG21 VAL B 107 -11.852 -4.748 -9.372 1.00 0.00 H new ATOM 0 HG22 VAL B 107 -13.144 -5.927 -9.700 1.00 0.00 H new ATOM 0 HG23 VAL B 107 -12.275 -5.968 -8.147 1.00 0.00 H new ATOM 1296 N THR B 108 -12.450 -9.985 -11.023 1.00 0.00 N ATOM 1297 CA THR B 108 -12.384 -10.836 -12.189 1.00 0.00 C ATOM 1298 C THR B 108 -12.751 -10.037 -13.427 1.00 0.00 C ATOM 1299 O THR B 108 -13.795 -10.250 -14.043 1.00 0.00 O ATOM 1300 CB THR B 108 -13.284 -12.047 -12.026 1.00 0.00 C ATOM 1301 OG1 THR B 108 -14.649 -11.683 -11.963 1.00 0.00 O ATOM 1302 CG2 THR B 108 -12.962 -12.856 -10.814 1.00 0.00 C ATOM 0 H THR B 108 -13.225 -10.179 -10.389 1.00 0.00 H new ATOM 0 HA THR B 108 -11.364 -11.203 -12.304 1.00 0.00 H new ATOM 0 HB THR B 108 -13.099 -12.654 -12.912 1.00 0.00 H new ATOM 0 HG1 THR B 108 -14.872 -11.116 -12.731 1.00 0.00 H new ATOM 0 HG21 THR B 108 -13.640 -13.707 -10.754 1.00 0.00 H new ATOM 0 HG22 THR B 108 -11.935 -13.214 -10.878 1.00 0.00 H new ATOM 0 HG23 THR B 108 -13.076 -12.238 -9.923 1.00 0.00 H new ATOM 1310 N VAL B 109 -11.879 -9.091 -13.756 1.00 0.00 N ATOM 1311 CA VAL B 109 -12.084 -8.207 -14.894 1.00 0.00 C ATOM 1312 C VAL B 109 -12.097 -8.958 -16.213 1.00 0.00 C ATOM 1313 O VAL B 109 -13.150 -9.465 -16.617 1.00 0.00 O ATOM 1314 CB VAL B 109 -11.038 -7.071 -14.987 1.00 0.00 C ATOM 1315 CG1 VAL B 109 -11.495 -5.833 -14.237 1.00 0.00 C ATOM 1316 CG2 VAL B 109 -9.678 -7.538 -14.505 1.00 0.00 C ATOM 0 H VAL B 109 -11.015 -8.917 -13.243 1.00 0.00 H new ATOM 0 HA VAL B 109 -13.063 -7.762 -14.716 1.00 0.00 H new ATOM 0 HB VAL B 109 -10.941 -6.798 -16.038 1.00 0.00 H new ATOM 0 HG11 VAL B 109 -10.737 -5.055 -14.323 1.00 0.00 H new ATOM 0 HG12 VAL B 109 -12.432 -5.475 -14.663 1.00 0.00 H new ATOM 0 HG13 VAL B 109 -11.645 -6.079 -13.186 1.00 0.00 H new ATOM 0 HG21 VAL B 109 -8.964 -6.718 -14.582 1.00 0.00 H new ATOM 0 HG22 VAL B 109 -9.751 -7.859 -13.466 1.00 0.00 H new ATOM 0 HG23 VAL B 109 -9.341 -8.372 -15.120 1.00 0.00 H new ATOM 1326 N ASP B 110 -10.976 -8.908 -16.965 1.00 0.00 N ATOM 1327 CA ASP B 110 -10.937 -9.469 -18.307 1.00 0.00 C ATOM 1328 C ASP B 110 -11.687 -8.489 -19.226 1.00 0.00 C ATOM 1329 O ASP B 110 -11.761 -8.657 -20.442 1.00 0.00 O ATOM 1330 CB ASP B 110 -11.539 -10.870 -18.318 1.00 0.00 C ATOM 1331 CG ASP B 110 -11.915 -11.374 -19.692 1.00 0.00 C ATOM 1332 OD1 ASP B 110 -11.004 -11.685 -20.485 1.00 0.00 O ATOM 1333 OD2 ASP B 110 -13.132 -11.480 -19.959 1.00 0.00 O ATOM 0 H ASP B 110 -10.100 -8.486 -16.657 1.00 0.00 H new ATOM 0 HA ASP B 110 -9.914 -9.586 -18.665 1.00 0.00 H new ATOM 0 HB2 ASP B 110 -10.825 -11.563 -17.872 1.00 0.00 H new ATOM 0 HB3 ASP B 110 -12.427 -10.876 -17.686 1.00 0.00 H new ATOM 1338 N SER B 111 -12.206 -7.426 -18.586 1.00 0.00 N ATOM 1339 CA SER B 111 -12.914 -6.354 -19.247 1.00 0.00 C ATOM 1340 C SER B 111 -11.949 -5.217 -19.563 1.00 0.00 C ATOM 1341 O SER B 111 -11.639 -4.991 -20.732 1.00 0.00 O ATOM 1342 CB SER B 111 -14.068 -5.836 -18.370 1.00 0.00 C ATOM 1343 OG SER B 111 -13.587 -5.063 -17.271 1.00 0.00 O ATOM 0 H SER B 111 -12.135 -7.301 -17.576 1.00 0.00 H new ATOM 0 HA SER B 111 -13.337 -6.739 -20.175 1.00 0.00 H new ATOM 0 HB2 SER B 111 -14.741 -5.229 -18.975 1.00 0.00 H new ATOM 0 HB3 SER B 111 -14.648 -6.679 -17.996 1.00 0.00 H new ATOM 0 HG SER B 111 -14.345 -4.748 -16.736 1.00 0.00 H new ATOM 1349 N ASP B 112 -11.525 -4.440 -18.546 1.00 0.00 N ATOM 1350 CA ASP B 112 -10.671 -3.292 -18.865 1.00 0.00 C ATOM 1351 C ASP B 112 -9.584 -2.948 -17.849 1.00 0.00 C ATOM 1352 O ASP B 112 -9.703 -3.204 -16.648 1.00 0.00 O ATOM 1353 CB ASP B 112 -11.561 -2.061 -19.063 1.00 0.00 C ATOM 1354 CG ASP B 112 -11.951 -1.417 -17.748 1.00 0.00 C ATOM 1355 OD1 ASP B 112 -12.926 -1.886 -17.122 1.00 0.00 O ATOM 1356 OD2 ASP B 112 -11.266 -0.458 -17.337 1.00 0.00 O ATOM 0 H ASP B 112 -11.745 -4.576 -17.559 1.00 0.00 H new ATOM 0 HA ASP B 112 -10.131 -3.586 -19.765 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -11.037 -1.332 -19.681 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -12.462 -2.350 -19.605 1.00 0.00 H new ATOM 1361 N SER B 113 -8.559 -2.272 -18.390 1.00 0.00 N ATOM 1362 CA SER B 113 -7.407 -1.720 -17.652 1.00 0.00 C ATOM 1363 C SER B 113 -6.694 -2.648 -16.653 1.00 0.00 C ATOM 1364 O SER B 113 -5.495 -2.462 -16.417 1.00 0.00 O ATOM 1365 CB SER B 113 -7.851 -0.458 -16.933 1.00 0.00 C ATOM 1366 OG SER B 113 -8.832 0.247 -17.681 1.00 0.00 O ATOM 0 H SER B 113 -8.505 -2.086 -19.392 1.00 0.00 H new ATOM 0 HA SER B 113 -6.655 -1.539 -18.420 1.00 0.00 H new ATOM 0 HB2 SER B 113 -8.255 -0.718 -15.954 1.00 0.00 H new ATOM 0 HB3 SER B 113 -6.989 0.187 -16.761 1.00 0.00 H new ATOM 0 HG SER B 113 -9.704 0.160 -17.242 1.00 0.00 H new ATOM 1372 N TYR B 114 -7.380 -3.637 -16.075 1.00 0.00 N ATOM 1373 CA TYR B 114 -6.714 -4.528 -15.131 1.00 0.00 C ATOM 1374 C TYR B 114 -5.475 -5.137 -15.794 1.00 0.00 C ATOM 1375 O TYR B 114 -4.353 -4.986 -15.309 1.00 0.00 O ATOM 1376 CB TYR B 114 -7.600 -5.664 -14.652 1.00 0.00 C ATOM 1377 CG TYR B 114 -6.778 -6.902 -14.357 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -6.017 -7.011 -13.195 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -6.719 -7.935 -15.277 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -5.229 -8.121 -12.966 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -5.942 -9.045 -15.053 1.00 0.00 C ATOM 1382 CZ TYR B 114 -5.196 -9.138 -13.899 1.00 0.00 C ATOM 1383 OH TYR B 114 -4.414 -10.249 -13.684 1.00 0.00 O ATOM 0 H TYR B 114 -8.367 -3.836 -16.239 1.00 0.00 H new ATOM 0 HA TYR B 114 -6.452 -3.921 -14.264 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -8.138 -5.358 -13.755 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -8.349 -5.892 -15.411 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -6.044 -6.217 -12.464 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -7.295 -7.867 -16.188 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -4.642 -8.193 -12.062 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -5.916 -9.843 -15.780 1.00 0.00 H new ATOM 0 HH TYR B 114 -4.988 -11.023 -13.506 1.00 0.00 H new ATOM 1393 N GLN B 115 -5.716 -5.861 -16.899 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.653 -6.536 -17.633 1.00 0.00 C ATOM 1395 C GLN B 115 -3.485 -5.596 -17.926 1.00 0.00 C ATOM 1396 O GLN B 115 -2.338 -5.987 -17.768 1.00 0.00 O ATOM 1397 CB GLN B 115 -5.198 -7.138 -18.930 1.00 0.00 C ATOM 1398 CG GLN B 115 -6.294 -8.175 -18.714 1.00 0.00 C ATOM 1399 CD GLN B 115 -6.466 -9.099 -19.903 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -6.566 -8.652 -21.040 1.00 0.00 O ATOM 1401 NE2 GLN B 115 -6.498 -10.397 -19.650 1.00 0.00 N ATOM 0 H GLN B 115 -6.645 -5.989 -17.299 1.00 0.00 H new ATOM 0 HA GLN B 115 -4.276 -7.342 -17.003 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -5.588 -6.336 -19.556 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -4.377 -7.600 -19.478 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -6.059 -8.767 -17.830 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -7.237 -7.665 -18.515 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -6.412 -10.732 -18.690 1.00 0.00 H new ATOM 0 HE22 GLN B 115 -6.609 -11.063 -20.415 1.00 0.00 H new ATOM 1410 N LEU B 116 -3.767 -4.353 -18.324 1.00 0.00 N ATOM 1411 CA LEU B 116 -2.701 -3.380 -18.586 1.00 0.00 C ATOM 1412 C LEU B 116 -1.742 -3.339 -17.386 1.00 0.00 C ATOM 1413 O LEU B 116 -0.535 -3.531 -17.522 1.00 0.00 O ATOM 1414 CB LEU B 116 -3.312 -1.991 -18.825 1.00 0.00 C ATOM 1415 CG LEU B 116 -2.797 -1.258 -20.060 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -3.869 -0.341 -20.624 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -1.551 -0.462 -19.721 1.00 0.00 C ATOM 0 H LEU B 116 -4.712 -3.998 -18.471 1.00 0.00 H new ATOM 0 HA LEU B 116 -2.147 -3.676 -19.477 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -4.393 -2.097 -18.910 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -3.120 -1.372 -17.949 1.00 0.00 H new ATOM 0 HG LEU B 116 -2.543 -2.000 -20.817 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -3.482 0.173 -21.504 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -4.742 -0.931 -20.903 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -4.153 0.394 -19.870 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -1.196 0.055 -20.612 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -1.785 0.269 -18.947 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -0.775 -1.137 -19.360 1.00 0.00 H new ATOM 1429 N LEU B 117 -2.326 -3.078 -16.220 1.00 0.00 N ATOM 1430 CA LEU B 117 -1.560 -3.003 -14.969 1.00 0.00 C ATOM 1431 C LEU B 117 -0.595 -4.188 -14.834 1.00 0.00 C ATOM 1432 O LEU B 117 0.610 -4.010 -14.636 1.00 0.00 O ATOM 1433 CB LEU B 117 -2.478 -2.969 -13.758 1.00 0.00 C ATOM 1434 CG LEU B 117 -2.389 -1.686 -12.936 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -1.010 -1.560 -12.322 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -2.693 -0.477 -13.803 1.00 0.00 C ATOM 0 H LEU B 117 -3.327 -2.914 -16.110 1.00 0.00 H new ATOM 0 HA LEU B 117 -0.986 -2.077 -15.007 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -3.507 -3.101 -14.093 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -2.242 -3.816 -13.114 1.00 0.00 H new ATOM 0 HG LEU B 117 -3.129 -1.730 -12.137 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -0.955 -0.642 -11.737 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -0.821 -2.415 -11.673 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -0.261 -1.532 -13.113 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -2.625 0.429 -13.201 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -1.973 -0.425 -14.620 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -3.700 -0.566 -14.212 1.00 0.00 H new ATOM 1448 N LYS B 118 -1.138 -5.399 -14.952 1.00 0.00 N ATOM 1449 CA LYS B 118 -0.339 -6.623 -14.853 1.00 0.00 C ATOM 1450 C LYS B 118 0.492 -6.839 -16.113 1.00 0.00 C ATOM 1451 O LYS B 118 1.545 -7.474 -16.074 1.00 0.00 O ATOM 1452 CB LYS B 118 -1.226 -7.842 -14.569 1.00 0.00 C ATOM 1453 CG LYS B 118 -2.465 -7.906 -15.443 1.00 0.00 C ATOM 1454 CD LYS B 118 -2.625 -9.273 -16.099 1.00 0.00 C ATOM 1455 CE LYS B 118 -2.773 -9.154 -17.609 1.00 0.00 C ATOM 1456 NZ LYS B 118 -2.678 -10.478 -18.290 1.00 0.00 N ATOM 0 H LYS B 118 -2.132 -5.560 -15.117 1.00 0.00 H new ATOM 0 HA LYS B 118 0.346 -6.504 -14.014 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -0.640 -8.750 -14.716 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -1.530 -7.824 -13.522 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -3.346 -7.686 -14.841 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -2.406 -7.138 -16.214 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -1.760 -9.893 -15.865 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -3.499 -9.776 -15.685 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -3.733 -8.695 -17.843 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -2.000 -8.491 -17.997 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -2.784 -10.349 -19.316 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -1.752 -10.906 -18.089 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -3.432 -11.103 -17.940 1.00 0.00 H new ATOM 1470 N ALA B 119 0.018 -6.283 -17.219 1.00 0.00 N ATOM 1471 CA ALA B 119 0.716 -6.375 -18.498 1.00 0.00 C ATOM 1472 C ALA B 119 2.136 -5.839 -18.347 1.00 0.00 C ATOM 1473 O ALA B 119 3.063 -6.299 -19.015 1.00 0.00 O ATOM 1474 CB ALA B 119 -0.037 -5.617 -19.585 1.00 0.00 C ATOM 0 H ALA B 119 -0.856 -5.758 -17.258 1.00 0.00 H new ATOM 0 HA ALA B 119 0.763 -7.422 -18.799 1.00 0.00 H new ATOM 0 HB1 ALA B 119 0.503 -5.701 -20.528 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -1.035 -6.041 -19.700 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -0.119 -4.567 -19.306 1.00 0.00 H new ATOM 1480 N TYR B 120 2.298 -4.886 -17.425 1.00 0.00 N ATOM 1481 CA TYR B 120 3.595 -4.309 -17.132 1.00 0.00 C ATOM 1482 C TYR B 120 4.273 -5.159 -16.063 1.00 0.00 C ATOM 1483 O TYR B 120 5.468 -5.424 -16.170 1.00 0.00 O ATOM 1484 CB TYR B 120 3.464 -2.856 -16.649 1.00 0.00 C ATOM 1485 CG TYR B 120 2.800 -1.924 -17.640 1.00 0.00 C ATOM 1486 CD1 TYR B 120 2.611 -2.296 -18.968 1.00 0.00 C ATOM 1487 CD2 TYR B 120 2.355 -0.666 -17.247 1.00 0.00 C ATOM 1488 CE1 TYR B 120 1.999 -1.445 -19.869 1.00 0.00 C ATOM 1489 CE2 TYR B 120 1.743 0.181 -18.142 1.00 0.00 C ATOM 1490 CZ TYR B 120 1.565 -0.209 -19.448 1.00 0.00 C ATOM 1491 OH TYR B 120 0.962 0.647 -20.341 1.00 0.00 O ATOM 0 H TYR B 120 1.534 -4.501 -16.869 1.00 0.00 H new ATOM 0 HA TYR B 120 4.194 -4.298 -18.042 1.00 0.00 H new ATOM 0 HB2 TYR B 120 2.894 -2.845 -15.720 1.00 0.00 H new ATOM 0 HB3 TYR B 120 4.458 -2.472 -16.417 1.00 0.00 H new ATOM 0 HD1 TYR B 120 2.948 -3.267 -19.300 1.00 0.00 H new ATOM 0 HD2 TYR B 120 2.492 -0.349 -16.224 1.00 0.00 H new ATOM 0 HE1 TYR B 120 1.862 -1.748 -20.897 1.00 0.00 H new ATOM 0 HE2 TYR B 120 1.402 1.153 -17.818 1.00 0.00 H new ATOM 0 HH TYR B 120 0.714 1.477 -19.882 1.00 0.00 H new ATOM 1501 N ASP B 121 3.465 -5.597 -15.064 1.00 0.00 N ATOM 1502 CA ASP B 121 3.904 -6.463 -13.945 1.00 0.00 C ATOM 1503 C ASP B 121 3.410 -5.939 -12.595 1.00 0.00 C ATOM 1504 O ASP B 121 3.906 -6.334 -11.538 1.00 0.00 O ATOM 1505 CB ASP B 121 5.424 -6.636 -13.909 1.00 0.00 C ATOM 1506 CG ASP B 121 6.167 -5.450 -13.308 1.00 0.00 C ATOM 1507 OD1 ASP B 121 5.709 -4.297 -13.478 1.00 0.00 O ATOM 1508 OD2 ASP B 121 7.213 -5.679 -12.665 1.00 0.00 O ATOM 0 H ASP B 121 2.476 -5.353 -15.015 1.00 0.00 H new ATOM 0 HA ASP B 121 3.455 -7.440 -14.126 1.00 0.00 H new ATOM 0 HB2 ASP B 121 5.664 -7.531 -13.335 1.00 0.00 H new ATOM 0 HB3 ASP B 121 5.785 -6.802 -14.924 1.00 0.00 H new ATOM 1513 N VAL B 122 2.420 -5.064 -12.635 1.00 0.00 N ATOM 1514 CA VAL B 122 1.852 -4.491 -11.444 1.00 0.00 C ATOM 1515 C VAL B 122 0.494 -5.110 -11.161 1.00 0.00 C ATOM 1516 O VAL B 122 -0.544 -4.470 -11.359 1.00 0.00 O ATOM 1517 CB VAL B 122 1.707 -2.970 -11.633 1.00 0.00 C ATOM 1518 CG1 VAL B 122 1.261 -2.294 -10.345 1.00 0.00 C ATOM 1519 CG2 VAL B 122 3.003 -2.351 -12.142 1.00 0.00 C ATOM 0 H VAL B 122 1.992 -4.735 -13.500 1.00 0.00 H new ATOM 0 HA VAL B 122 2.509 -4.693 -10.598 1.00 0.00 H new ATOM 0 HB VAL B 122 0.935 -2.807 -12.385 1.00 0.00 H new ATOM 0 HG11 VAL B 122 1.168 -1.221 -10.511 1.00 0.00 H new ATOM 0 HG12 VAL B 122 0.297 -2.699 -10.037 1.00 0.00 H new ATOM 0 HG13 VAL B 122 1.998 -2.478 -9.564 1.00 0.00 H new ATOM 0 HG21 VAL B 122 2.869 -1.276 -12.266 1.00 0.00 H new ATOM 0 HG22 VAL B 122 3.802 -2.537 -11.424 1.00 0.00 H new ATOM 0 HG23 VAL B 122 3.267 -2.796 -13.101 1.00 0.00 H new ATOM 1529 N ASN B 123 0.493 -6.365 -10.702 1.00 0.00 N ATOM 1530 CA ASN B 123 -0.762 -7.073 -10.388 1.00 0.00 C ATOM 1531 C ASN B 123 -1.467 -6.443 -9.180 1.00 0.00 C ATOM 1532 O ASN B 123 -1.954 -7.141 -8.295 1.00 0.00 O ATOM 1533 CB ASN B 123 -0.538 -8.570 -10.133 1.00 0.00 C ATOM 1534 CG ASN B 123 0.925 -8.967 -10.042 1.00 0.00 C ATOM 1535 OD1 ASN B 123 1.601 -9.115 -11.055 1.00 0.00 O ATOM 1536 ND2 ASN B 123 1.423 -9.135 -8.826 1.00 0.00 N ATOM 0 H ASN B 123 1.338 -6.913 -10.539 1.00 0.00 H new ATOM 0 HA ASN B 123 -1.399 -6.973 -11.267 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -1.038 -8.849 -9.206 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -1.010 -9.139 -10.934 1.00 0.00 H new ATOM 0 HD21 ASN B 123 2.402 -9.397 -8.707 1.00 0.00 H new ATOM 0 HD22 ASN B 123 0.828 -9.002 -8.008 1.00 0.00 H new ATOM 1543 N ILE B 124 -1.532 -5.113 -9.211 1.00 0.00 N ATOM 1544 CA ILE B 124 -2.162 -4.235 -8.242 1.00 0.00 C ATOM 1545 C ILE B 124 -2.175 -4.633 -6.758 1.00 0.00 C ATOM 1546 O ILE B 124 -2.833 -3.966 -5.960 1.00 0.00 O ATOM 1547 CB ILE B 124 -3.560 -3.910 -8.692 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -4.220 -5.106 -9.349 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -3.542 -2.725 -9.641 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -4.451 -6.213 -8.380 1.00 0.00 C ATOM 0 H ILE B 124 -1.111 -4.586 -9.976 1.00 0.00 H new ATOM 0 HA ILE B 124 -1.493 -3.375 -8.241 1.00 0.00 H new ATOM 0 HB ILE B 124 -4.147 -3.649 -7.811 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -5.171 -4.802 -9.786 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -3.593 -5.463 -10.166 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -4.559 -2.499 -9.960 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -3.120 -1.858 -9.133 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -2.934 -2.966 -10.513 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -4.926 -7.051 -8.891 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -3.497 -6.536 -7.962 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -5.099 -5.864 -7.576 1.00 0.00 H new ATOM 1562 N SER B 125 -1.496 -5.699 -6.400 1.00 0.00 N ATOM 1563 CA SER B 125 -1.466 -6.184 -5.014 1.00 0.00 C ATOM 1564 C SER B 125 -1.427 -5.019 -4.015 1.00 0.00 C ATOM 1565 O SER B 125 -2.374 -4.824 -3.235 1.00 0.00 O ATOM 1566 CB SER B 125 -0.239 -7.086 -4.828 1.00 0.00 C ATOM 1567 OG SER B 125 0.905 -6.350 -4.417 1.00 0.00 O ATOM 0 H SER B 125 -0.946 -6.262 -7.049 1.00 0.00 H new ATOM 0 HA SER B 125 -2.376 -6.751 -4.820 1.00 0.00 H new ATOM 0 HB2 SER B 125 -0.462 -7.853 -4.087 1.00 0.00 H new ATOM 0 HB3 SER B 125 -0.022 -7.601 -5.764 1.00 0.00 H new ATOM 0 HG SER B 125 1.664 -6.960 -4.308 1.00 0.00 H new ATOM 1573 N GLY B 126 -0.359 -4.227 -4.066 1.00 0.00 N ATOM 1574 CA GLY B 126 -0.241 -3.079 -3.186 1.00 0.00 C ATOM 1575 C GLY B 126 -0.985 -1.872 -3.722 1.00 0.00 C ATOM 1576 O GLY B 126 -1.370 -0.993 -2.959 1.00 0.00 O ATOM 0 H GLY B 126 0.427 -4.361 -4.702 1.00 0.00 H new ATOM 0 HA2 GLY B 126 -0.630 -3.336 -2.201 1.00 0.00 H new ATOM 0 HA3 GLY B 126 0.812 -2.828 -3.057 1.00 0.00 H new ATOM 1580 N LEU B 127 -1.184 -1.832 -5.040 1.00 0.00 N ATOM 1581 CA LEU B 127 -1.877 -0.731 -5.689 1.00 0.00 C ATOM 1582 C LEU B 127 -3.351 -0.672 -5.299 1.00 0.00 C ATOM 1583 O LEU B 127 -3.805 0.324 -4.727 1.00 0.00 O ATOM 1584 CB LEU B 127 -1.766 -0.871 -7.206 1.00 0.00 C ATOM 1585 CG LEU B 127 -2.501 0.195 -8.010 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -3.962 -0.186 -8.168 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -2.368 1.554 -7.339 1.00 0.00 C ATOM 0 H LEU B 127 -0.869 -2.561 -5.681 1.00 0.00 H new ATOM 0 HA LEU B 127 -1.402 0.192 -5.357 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -0.712 -0.848 -7.481 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -2.150 -1.850 -7.494 1.00 0.00 H new ATOM 0 HG LEU B 127 -2.051 0.260 -9.001 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -4.478 0.582 -8.744 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -4.035 -1.141 -8.689 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -4.424 -0.274 -7.184 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -2.899 2.303 -7.926 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -2.795 1.509 -6.337 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -1.314 1.825 -7.272 1.00 0.00 H new ATOM 1599 N VAL B 128 -4.097 -1.737 -5.623 1.00 0.00 N ATOM 1600 CA VAL B 128 -5.518 -1.789 -5.309 1.00 0.00 C ATOM 1601 C VAL B 128 -5.733 -1.488 -3.836 1.00 0.00 C ATOM 1602 O VAL B 128 -6.380 -0.509 -3.479 1.00 0.00 O ATOM 1603 CB VAL B 128 -6.115 -3.172 -5.676 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -7.342 -3.510 -4.833 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -6.453 -3.208 -7.158 1.00 0.00 C ATOM 0 H VAL B 128 -3.737 -2.564 -6.099 1.00 0.00 H new ATOM 0 HA VAL B 128 -6.033 -1.034 -5.903 1.00 0.00 H new ATOM 0 HB VAL B 128 -5.363 -3.931 -5.458 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -7.726 -4.487 -5.125 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -7.065 -3.529 -3.779 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -8.112 -2.755 -4.992 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -6.872 -4.182 -7.412 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -7.181 -2.429 -7.384 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -5.548 -3.039 -7.742 1.00 0.00 H new ATOM 1615 N SER B 129 -5.148 -2.328 -3.002 1.00 0.00 N ATOM 1616 CA SER B 129 -5.222 -2.195 -1.560 1.00 0.00 C ATOM 1617 C SER B 129 -4.758 -0.818 -1.048 1.00 0.00 C ATOM 1618 O SER B 129 -5.277 -0.332 -0.045 1.00 0.00 O ATOM 1619 CB SER B 129 -4.371 -3.293 -0.945 1.00 0.00 C ATOM 1620 OG SER B 129 -3.041 -3.218 -1.429 1.00 0.00 O ATOM 0 H SER B 129 -4.601 -3.132 -3.312 1.00 0.00 H new ATOM 0 HA SER B 129 -6.267 -2.286 -1.265 1.00 0.00 H new ATOM 0 HB2 SER B 129 -4.375 -3.200 0.141 1.00 0.00 H new ATOM 0 HB3 SER B 129 -4.797 -4.268 -1.183 1.00 0.00 H new ATOM 0 HG SER B 129 -2.999 -3.601 -2.330 1.00 0.00 H new ATOM 1626 N THR B 130 -3.779 -0.188 -1.710 1.00 0.00 N ATOM 1627 CA THR B 130 -3.275 1.112 -1.265 1.00 0.00 C ATOM 1628 C THR B 130 -4.196 2.227 -1.695 1.00 0.00 C ATOM 1629 O THR B 130 -4.626 3.037 -0.869 1.00 0.00 O ATOM 1630 CB THR B 130 -1.874 1.380 -1.816 1.00 0.00 C ATOM 1631 OG1 THR B 130 -0.912 0.642 -1.092 1.00 0.00 O ATOM 1632 CG2 THR B 130 -1.470 2.841 -1.770 1.00 0.00 C ATOM 0 H THR B 130 -3.326 -0.555 -2.547 1.00 0.00 H new ATOM 0 HA THR B 130 -3.231 1.082 -0.176 1.00 0.00 H new ATOM 0 HB THR B 130 -1.910 1.073 -2.861 1.00 0.00 H new ATOM 0 HG1 THR B 130 -0.860 -0.268 -1.451 1.00 0.00 H new ATOM 0 HG21 THR B 130 -0.465 2.954 -2.177 1.00 0.00 H new ATOM 0 HG22 THR B 130 -2.170 3.431 -2.362 1.00 0.00 H new ATOM 0 HG23 THR B 130 -1.485 3.190 -0.738 1.00 0.00 H new ATOM 1640 N THR B 131 -4.484 2.291 -2.993 1.00 0.00 N ATOM 1641 CA THR B 131 -5.339 3.347 -3.497 1.00 0.00 C ATOM 1642 C THR B 131 -6.622 3.412 -2.677 1.00 0.00 C ATOM 1643 O THR B 131 -7.146 4.494 -2.399 1.00 0.00 O ATOM 1644 CB THR B 131 -5.645 3.173 -4.990 1.00 0.00 C ATOM 1645 OG1 THR B 131 -5.651 4.435 -5.629 1.00 0.00 O ATOM 1646 CG2 THR B 131 -6.978 2.512 -5.283 1.00 0.00 C ATOM 0 H THR B 131 -4.143 1.636 -3.697 1.00 0.00 H new ATOM 0 HA THR B 131 -4.806 4.292 -3.394 1.00 0.00 H new ATOM 0 HB THR B 131 -4.859 2.518 -5.367 1.00 0.00 H new ATOM 0 HG1 THR B 131 -5.845 4.318 -6.582 1.00 0.00 H new ATOM 0 HG21 THR B 131 -7.113 2.428 -6.361 1.00 0.00 H new ATOM 0 HG22 THR B 131 -6.997 1.518 -4.837 1.00 0.00 H new ATOM 0 HG23 THR B 131 -7.783 3.114 -4.862 1.00 0.00 H new ATOM 1654 N MET B 132 -7.100 2.236 -2.275 1.00 0.00 N ATOM 1655 CA MET B 132 -8.302 2.120 -1.465 1.00 0.00 C ATOM 1656 C MET B 132 -8.205 2.908 -0.172 1.00 0.00 C ATOM 1657 O MET B 132 -9.072 3.706 0.112 1.00 0.00 O ATOM 1658 CB MET B 132 -8.571 0.664 -1.145 1.00 0.00 C ATOM 1659 CG MET B 132 -8.868 -0.152 -2.372 1.00 0.00 C ATOM 1660 SD MET B 132 -8.432 -1.872 -2.163 1.00 0.00 S ATOM 1661 CE MET B 132 -9.819 -2.571 -3.007 1.00 0.00 C ATOM 0 H MET B 132 -6.664 1.342 -2.503 1.00 0.00 H new ATOM 0 HA MET B 132 -9.123 2.537 -2.048 1.00 0.00 H new ATOM 0 HB2 MET B 132 -7.706 0.242 -0.633 1.00 0.00 H new ATOM 0 HB3 MET B 132 -9.413 0.597 -0.456 1.00 0.00 H new ATOM 0 HG2 MET B 132 -9.929 -0.075 -2.609 1.00 0.00 H new ATOM 0 HG3 MET B 132 -8.321 0.259 -3.220 1.00 0.00 H new ATOM 0 HE1 MET B 132 -9.860 -3.643 -2.814 1.00 0.00 H new ATOM 0 HE2 MET B 132 -10.736 -2.103 -2.650 1.00 0.00 H new ATOM 0 HE3 MET B 132 -9.717 -2.399 -4.079 1.00 0.00 H new ATOM 1671 N GLN B 133 -7.154 2.688 0.612 1.00 0.00 N ATOM 1672 CA GLN B 133 -7.003 3.412 1.876 1.00 0.00 C ATOM 1673 C GLN B 133 -7.028 4.917 1.642 1.00 0.00 C ATOM 1674 O GLN B 133 -7.638 5.661 2.410 1.00 0.00 O ATOM 1675 CB GLN B 133 -5.727 2.979 2.607 1.00 0.00 C ATOM 1676 CG GLN B 133 -4.594 4.005 2.624 1.00 0.00 C ATOM 1677 CD GLN B 133 -4.163 4.377 4.029 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -3.130 3.922 4.514 1.00 0.00 O ATOM 1679 NE2 GLN B 133 -4.952 5.212 4.691 1.00 0.00 N ATOM 0 H GLN B 133 -6.405 2.028 0.403 1.00 0.00 H new ATOM 0 HA GLN B 133 -7.849 3.161 2.516 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -5.986 2.733 3.637 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -5.357 2.064 2.144 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -3.739 3.605 2.080 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -4.915 4.903 2.097 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -5.801 5.567 4.252 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -4.710 5.499 5.639 1.00 0.00 H new ATOM 1688 N ASN B 134 -6.376 5.362 0.572 1.00 0.00 N ATOM 1689 CA ASN B 134 -6.342 6.779 0.237 1.00 0.00 C ATOM 1690 C ASN B 134 -7.732 7.258 -0.185 1.00 0.00 C ATOM 1691 O ASN B 134 -8.278 8.193 0.407 1.00 0.00 O ATOM 1692 CB ASN B 134 -5.307 7.032 -0.867 1.00 0.00 C ATOM 1693 CG ASN B 134 -3.897 6.686 -0.431 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -3.355 7.297 0.487 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -3.298 5.700 -1.082 1.00 0.00 N ATOM 0 H ASN B 134 -5.865 4.762 -0.076 1.00 0.00 H new ATOM 0 HA ASN B 134 -6.046 7.348 1.118 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -5.567 6.443 -1.746 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -5.345 8.080 -1.163 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -2.350 5.422 -0.827 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -3.784 5.219 -1.838 1.00 0.00 H new ATOM 1702 N GLU B 135 -8.314 6.588 -1.183 1.00 0.00 N ATOM 1703 CA GLU B 135 -9.657 6.929 -1.652 1.00 0.00 C ATOM 1704 C GLU B 135 -10.677 6.716 -0.535 1.00 0.00 C ATOM 1705 O GLU B 135 -11.636 7.474 -0.402 1.00 0.00 O ATOM 1706 CB GLU B 135 -10.028 6.088 -2.879 1.00 0.00 C ATOM 1707 CG GLU B 135 -10.139 6.899 -4.164 1.00 0.00 C ATOM 1708 CD GLU B 135 -9.032 7.924 -4.315 1.00 0.00 C ATOM 1709 OE1 GLU B 135 -7.914 7.539 -4.710 1.00 0.00 O ATOM 1710 OE2 GLU B 135 -9.283 9.115 -4.035 1.00 0.00 O ATOM 0 H GLU B 135 -7.878 5.810 -1.679 1.00 0.00 H new ATOM 0 HA GLU B 135 -9.667 7.980 -1.939 1.00 0.00 H new ATOM 0 HB2 GLU B 135 -9.278 5.309 -3.015 1.00 0.00 H new ATOM 0 HB3 GLU B 135 -10.978 5.587 -2.692 1.00 0.00 H new ATOM 0 HG2 GLU B 135 -10.118 6.222 -5.018 1.00 0.00 H new ATOM 0 HG3 GLU B 135 -11.103 7.408 -4.184 1.00 0.00 H new ATOM 1717 N ALA B 136 -10.433 5.697 0.287 1.00 0.00 N ATOM 1718 CA ALA B 136 -11.283 5.376 1.422 1.00 0.00 C ATOM 1719 C ALA B 136 -11.211 6.482 2.454 1.00 0.00 C ATOM 1720 O ALA B 136 -12.239 6.947 2.950 1.00 0.00 O ATOM 1721 CB ALA B 136 -10.862 4.053 2.024 1.00 0.00 C ATOM 0 H ALA B 136 -9.635 5.070 0.180 1.00 0.00 H new ATOM 0 HA ALA B 136 -12.315 5.289 1.083 1.00 0.00 H new ATOM 0 HB1 ALA B 136 -11.503 3.819 2.874 1.00 0.00 H new ATOM 0 HB2 ALA B 136 -10.952 3.267 1.274 1.00 0.00 H new ATOM 0 HB3 ALA B 136 -9.827 4.118 2.358 1.00 0.00 H new ATOM 1727 N ARG B 137 -9.990 6.930 2.744 1.00 0.00 N ATOM 1728 CA ARG B 137 -9.789 8.023 3.680 1.00 0.00 C ATOM 1729 C ARG B 137 -10.461 9.263 3.152 1.00 0.00 C ATOM 1730 O ARG B 137 -11.232 9.928 3.844 1.00 0.00 O ATOM 1731 CB ARG B 137 -8.314 8.337 3.829 1.00 0.00 C ATOM 1732 CG ARG B 137 -7.787 8.131 5.231 1.00 0.00 C ATOM 1733 CD ARG B 137 -8.240 9.248 6.158 1.00 0.00 C ATOM 1734 NE ARG B 137 -9.388 8.853 6.979 1.00 0.00 N ATOM 1735 CZ ARG B 137 -10.075 9.683 7.756 1.00 0.00 C ATOM 1736 NH1 ARG B 137 -9.787 10.969 7.798 1.00 0.00 N ATOM 1737 NH2 ARG B 137 -11.071 9.226 8.479 1.00 0.00 N ATOM 0 H ARG B 137 -9.132 6.551 2.344 1.00 0.00 H new ATOM 0 HA ARG B 137 -10.206 7.724 4.642 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -7.747 7.710 3.141 1.00 0.00 H new ATOM 0 HB3 ARG B 137 -8.140 9.372 3.533 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -8.134 7.172 5.616 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -6.698 8.091 5.211 1.00 0.00 H new ATOM 0 HD2 ARG B 137 -7.413 9.537 6.807 1.00 0.00 H new ATOM 0 HD3 ARG B 137 -8.503 10.125 5.566 1.00 0.00 H new ATOM 0 HE ARG B 137 -9.679 7.876 6.952 1.00 0.00 H new ATOM 0 HH11 ARG B 137 -9.027 11.340 7.228 1.00 0.00 H new ATOM 0 HH12 ARG B 137 -10.325 11.593 8.400 1.00 0.00 H new ATOM 0 HH21 ARG B 137 -11.315 8.236 8.443 1.00 0.00 H new ATOM 0 HH22 ARG B 137 -11.601 9.861 9.077 1.00 0.00 H new ATOM 1751 N ARG B 138 -10.122 9.572 1.909 1.00 0.00 N ATOM 1752 CA ARG B 138 -10.642 10.745 1.246 1.00 0.00 C ATOM 1753 C ARG B 138 -12.164 10.678 1.061 1.00 0.00 C ATOM 1754 O ARG B 138 -12.873 11.568 1.528 1.00 0.00 O ATOM 1755 CB ARG B 138 -9.958 10.940 -0.114 1.00 0.00 C ATOM 1756 CG ARG B 138 -8.872 12.007 -0.106 1.00 0.00 C ATOM 1757 CD ARG B 138 -8.743 12.698 -1.457 1.00 0.00 C ATOM 1758 NE ARG B 138 -8.556 11.742 -2.555 1.00 0.00 N ATOM 1759 CZ ARG B 138 -7.760 11.930 -3.604 1.00 0.00 C ATOM 1760 NH1 ARG B 138 -7.079 13.053 -3.756 1.00 0.00 N ATOM 1761 NH2 ARG B 138 -7.662 10.989 -4.520 1.00 0.00 N ATOM 0 H ARG B 138 -9.483 9.017 1.340 1.00 0.00 H new ATOM 0 HA ARG B 138 -10.424 11.599 1.888 1.00 0.00 H new ATOM 0 HB2 ARG B 138 -9.522 9.993 -0.430 1.00 0.00 H new ATOM 0 HB3 ARG B 138 -10.712 11.207 -0.855 1.00 0.00 H new ATOM 0 HG2 ARG B 138 -9.097 12.748 0.661 1.00 0.00 H new ATOM 0 HG3 ARG B 138 -7.918 11.552 0.161 1.00 0.00 H new ATOM 0 HD2 ARG B 138 -9.636 13.294 -1.645 1.00 0.00 H new ATOM 0 HD3 ARG B 138 -7.899 13.388 -1.431 1.00 0.00 H new ATOM 0 HE ARG B 138 -9.077 10.866 -2.510 1.00 0.00 H new ATOM 0 HH11 ARG B 138 -7.158 13.796 -3.061 1.00 0.00 H new ATOM 0 HH12 ARG B 138 -6.474 13.177 -4.568 1.00 0.00 H new ATOM 0 HH21 ARG B 138 -8.194 10.124 -4.422 1.00 0.00 H new ATOM 0 HH22 ARG B 138 -7.054 11.125 -5.328 1.00 0.00 H new