USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 677 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 84 HIS : no HD1:sc= 0.422 K(o=0.84,f=-3.4) USER MOD Set 1.2: A 86 THR OG1 : rot -91:sc= 0.422 USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 51 HIS : no HD1:sc= -0.153 X(o=1.2,f=1.2) USER MOD Set 3.2: A 66 TYR OH : rot -102:sc= 1.31 USER MOD Set 4.1: A 52 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 8 GLN : amide:sc= -0.821 X(o=-0.82,f=-0.66) USER MOD Single : A 4 THR OG1 : rot 21:sc= 0.364 USER MOD Single : A 10 TYR OH : rot 79:sc= 0.287 USER MOD Single : A 11 SER OG : rot -108:sc= 1.22 USER MOD Single : A 13 HIS : no HD1:sc= -0.618 X(o=-0.62,f=-0.23) USER MOD Single : A 17 ASN : amide:sc= -3.28! C(o=-3.3!,f=-6.8!) USER MOD Single : A 19 LYS NZ :NH3+ -167:sc= -0.046 (180deg=-0.275) USER MOD Single : A 21 ASN : amide:sc= 0.23 K(o=0.23,f=-0.68) USER MOD Single : A 24 ASN : amide:sc= -0.183! X(o=-0.18!,f=-0.4) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 68:sc= 1.26 USER MOD Single : A 31 HIS : no HE2:sc= 0.0682 K(o=0.068,f=-1.9) USER MOD Single : A 33 SER OG : rot -2:sc= 0.291 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 163:sc= -0.0372 (180deg=-0.309) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -12:sc= -0.359 USER MOD Single : A 75 LYS NZ :NH3+ -154:sc= 1.27 (180deg=1.19) USER MOD Single : A 78 TYR OH : rot -54:sc= 1.19 USER MOD Single : A 83 ASN : amide:sc= -1.55 K(o=-1.5,f=-8.4!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.0978 K(o=-0.098,f=-1.2) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 166:sc= -1.06 (180deg=-2.24!) USER MOD ----------------------------------------------------------------- ATOM 36 N ARG A 3 -17.049 -5.141 -4.774 1.00 0.00 N ATOM 37 CA ARG A 3 -16.120 -4.681 -5.791 1.00 0.00 C ATOM 38 C ARG A 3 -14.693 -4.917 -5.317 1.00 0.00 C ATOM 39 O ARG A 3 -14.368 -4.640 -4.161 1.00 0.00 O ATOM 40 CB ARG A 3 -16.362 -3.198 -6.095 1.00 0.00 C ATOM 41 CG ARG A 3 -15.322 -2.565 -7.026 1.00 0.00 C ATOM 42 CD ARG A 3 -15.848 -1.295 -7.692 1.00 0.00 C ATOM 43 NE ARG A 3 -16.344 -0.325 -6.712 1.00 0.00 N ATOM 44 CZ ARG A 3 -16.824 0.877 -7.031 1.00 0.00 C ATOM 45 NH1 ARG A 3 -16.929 1.238 -8.302 1.00 0.00 N ATOM 46 NH2 ARG A 3 -17.213 1.715 -6.075 1.00 0.00 N ATOM 0 HA ARG A 3 -16.278 -5.242 -6.712 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -17.349 -3.088 -6.544 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.376 -2.645 -5.156 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.422 -2.330 -6.458 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -15.036 -3.285 -7.793 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -15.053 -0.839 -8.282 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -16.650 -1.554 -8.383 1.00 0.00 H new ATOM 0 HE ARG A 3 -16.321 -0.585 -5.726 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -16.642 0.595 -9.040 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -17.297 2.159 -8.542 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -17.144 1.439 -5.096 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -17.580 2.634 -6.321 1.00 0.00 H new ATOM 60 N THR A 4 -13.852 -5.437 -6.200 1.00 0.00 N ATOM 61 CA THR A 4 -12.513 -5.855 -5.820 1.00 0.00 C ATOM 62 C THR A 4 -11.586 -4.647 -5.665 1.00 0.00 C ATOM 63 O THR A 4 -11.428 -3.855 -6.597 1.00 0.00 O ATOM 64 CB THR A 4 -11.915 -6.853 -6.849 1.00 0.00 C ATOM 65 OG1 THR A 4 -11.652 -6.189 -8.093 1.00 0.00 O ATOM 66 CG2 THR A 4 -12.870 -8.007 -7.111 1.00 0.00 C ATOM 0 H THR A 4 -14.075 -5.579 -7.185 1.00 0.00 H new ATOM 0 HA THR A 4 -12.594 -6.362 -4.859 1.00 0.00 H new ATOM 0 HB THR A 4 -10.987 -7.240 -6.427 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.588 -5.223 -7.941 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.426 -8.690 -7.835 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.061 -8.540 -6.179 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.809 -7.620 -7.507 1.00 0.00 H new ATOM 74 N PRO A 5 -10.987 -4.466 -4.474 1.00 0.00 N ATOM 75 CA PRO A 5 -9.999 -3.420 -4.255 1.00 0.00 C ATOM 76 C PRO A 5 -8.718 -3.737 -5.007 1.00 0.00 C ATOM 77 O PRO A 5 -8.179 -4.842 -4.897 1.00 0.00 O ATOM 78 CB PRO A 5 -9.752 -3.429 -2.737 1.00 0.00 C ATOM 79 CG PRO A 5 -10.789 -4.338 -2.154 1.00 0.00 C ATOM 80 CD PRO A 5 -11.219 -5.259 -3.262 1.00 0.00 C ATOM 0 HA PRO A 5 -10.338 -2.447 -4.611 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.748 -3.785 -2.507 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.836 -2.425 -2.322 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.383 -4.903 -1.315 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.636 -3.767 -1.773 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.637 -6.180 -3.267 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.266 -5.545 -3.163 1.00 0.00 H new ATOM 88 N LYS A 6 -8.247 -2.789 -5.791 1.00 0.00 N ATOM 89 CA LYS A 6 -7.064 -3.007 -6.595 1.00 0.00 C ATOM 90 C LYS A 6 -5.844 -2.468 -5.869 1.00 0.00 C ATOM 91 O LYS A 6 -5.943 -1.524 -5.084 1.00 0.00 O ATOM 92 CB LYS A 6 -7.215 -2.313 -7.955 1.00 0.00 C ATOM 93 CG LYS A 6 -6.095 -2.621 -8.937 1.00 0.00 C ATOM 94 CD LYS A 6 -6.032 -1.596 -10.061 1.00 0.00 C ATOM 95 CE LYS A 6 -5.602 -0.230 -9.543 1.00 0.00 C ATOM 96 NZ LYS A 6 -5.510 0.784 -10.628 1.00 0.00 N ATOM 0 H LYS A 6 -8.664 -1.863 -5.888 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.938 -4.077 -6.760 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.165 -2.610 -8.399 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.260 -1.235 -7.798 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.142 -2.639 -8.408 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.244 -3.615 -9.359 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.332 -1.934 -10.825 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.009 -1.515 -10.537 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.313 0.111 -8.790 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.634 -0.319 -9.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.214 1.696 -10.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.812 0.474 -11.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.439 0.891 -11.083 1.00 0.00 H new ATOM 110 N ILE A 7 -4.698 -3.066 -6.136 1.00 0.00 N ATOM 111 CA ILE A 7 -3.484 -2.699 -5.443 1.00 0.00 C ATOM 112 C ILE A 7 -2.697 -1.699 -6.257 1.00 0.00 C ATOM 113 O ILE A 7 -2.379 -1.940 -7.422 1.00 0.00 O ATOM 114 CB ILE A 7 -2.584 -3.913 -5.170 1.00 0.00 C ATOM 115 CG1 ILE A 7 -3.424 -5.117 -4.762 1.00 0.00 C ATOM 116 CG2 ILE A 7 -1.570 -3.582 -4.086 1.00 0.00 C ATOM 117 CD1 ILE A 7 -4.358 -4.835 -3.616 1.00 0.00 C ATOM 0 H ILE A 7 -4.585 -3.807 -6.828 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.787 -2.265 -4.490 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.047 -4.162 -6.086 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.006 -5.452 -5.621 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.760 -5.937 -4.487 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.938 -4.451 -3.902 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.951 -2.745 -4.410 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.093 -3.313 -3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.925 -5.735 -3.378 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.781 -4.529 -2.743 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.046 -4.037 -3.895 1.00 0.00 H new ATOM 129 N GLN A 8 -2.402 -0.574 -5.646 1.00 0.00 N ATOM 130 CA GLN A 8 -1.557 0.428 -6.276 1.00 0.00 C ATOM 131 C GLN A 8 -0.528 0.888 -5.242 1.00 0.00 C ATOM 132 O GLN A 8 -0.881 1.443 -4.199 1.00 0.00 O ATOM 133 CB GLN A 8 -2.411 1.627 -6.798 1.00 0.00 C ATOM 134 CG GLN A 8 -3.900 1.383 -6.633 1.00 0.00 C ATOM 135 CD GLN A 8 -4.738 2.614 -6.913 1.00 0.00 C ATOM 136 OE1 GLN A 8 -5.182 2.837 -8.039 1.00 0.00 O ATOM 137 NE2 GLN A 8 -4.959 3.420 -5.888 1.00 0.00 N ATOM 0 H GLN A 8 -2.732 -0.325 -4.714 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.049 0.004 -7.142 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.131 2.532 -6.260 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.187 1.800 -7.851 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.207 0.581 -7.304 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.096 1.041 -5.617 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.572 3.197 -4.971 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.517 4.265 -6.014 1.00 0.00 H new ATOM 146 N VAL A 9 0.735 0.635 -5.537 1.00 0.00 N ATOM 147 CA VAL A 9 1.825 0.928 -4.620 1.00 0.00 C ATOM 148 C VAL A 9 2.997 1.533 -5.377 1.00 0.00 C ATOM 149 O VAL A 9 3.424 1.013 -6.409 1.00 0.00 O ATOM 150 CB VAL A 9 2.274 -0.338 -3.827 1.00 0.00 C ATOM 151 CG1 VAL A 9 2.293 -1.572 -4.714 1.00 0.00 C ATOM 152 CG2 VAL A 9 3.644 -0.137 -3.183 1.00 0.00 C ATOM 0 H VAL A 9 1.035 0.220 -6.419 1.00 0.00 H new ATOM 0 HA VAL A 9 1.461 1.652 -3.891 1.00 0.00 H new ATOM 0 HB VAL A 9 1.540 -0.493 -3.036 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.610 -2.435 -4.129 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.294 -1.750 -5.111 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.989 -1.417 -5.539 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.926 -1.038 -2.639 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.384 0.066 -3.957 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.601 0.705 -2.493 1.00 0.00 H new ATOM 162 N TYR A 10 3.491 2.643 -4.861 1.00 0.00 N ATOM 163 CA TYR A 10 4.576 3.373 -5.483 1.00 0.00 C ATOM 164 C TYR A 10 5.252 4.251 -4.445 1.00 0.00 C ATOM 165 O TYR A 10 4.726 4.451 -3.349 1.00 0.00 O ATOM 166 CB TYR A 10 4.069 4.218 -6.665 1.00 0.00 C ATOM 167 CG TYR A 10 2.997 5.234 -6.321 1.00 0.00 C ATOM 168 CD1 TYR A 10 1.652 4.913 -6.435 1.00 0.00 C ATOM 169 CD2 TYR A 10 3.330 6.518 -5.901 1.00 0.00 C ATOM 170 CE1 TYR A 10 0.668 5.838 -6.143 1.00 0.00 C ATOM 171 CE2 TYR A 10 2.351 7.447 -5.602 1.00 0.00 C ATOM 172 CZ TYR A 10 1.023 7.102 -5.728 1.00 0.00 C ATOM 173 OH TYR A 10 0.045 8.029 -5.443 1.00 0.00 O ATOM 0 H TYR A 10 3.149 3.063 -3.997 1.00 0.00 H new ATOM 0 HA TYR A 10 5.300 2.660 -5.878 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.917 4.743 -7.105 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.678 3.546 -7.430 1.00 0.00 H new ATOM 0 HD1 TYR A 10 1.369 3.922 -6.758 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.370 6.793 -5.807 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.374 5.571 -6.240 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.626 8.438 -5.271 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.328 7.849 -4.555 1.00 0.00 H new ATOM 183 N SER A 11 6.421 4.755 -4.783 1.00 0.00 N ATOM 184 CA SER A 11 7.160 5.608 -3.880 1.00 0.00 C ATOM 185 C SER A 11 6.665 7.045 -4.008 1.00 0.00 C ATOM 186 O SER A 11 6.354 7.486 -5.116 1.00 0.00 O ATOM 187 CB SER A 11 8.654 5.519 -4.190 1.00 0.00 C ATOM 188 OG SER A 11 9.423 6.305 -3.296 1.00 0.00 O ATOM 0 H SER A 11 6.879 4.587 -5.679 1.00 0.00 H new ATOM 0 HA SER A 11 7.000 5.277 -2.854 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.977 4.480 -4.130 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.834 5.850 -5.213 1.00 0.00 H new ATOM 0 HG SER A 11 9.771 7.090 -3.768 1.00 0.00 H new ATOM 194 N ARG A 12 6.560 7.758 -2.885 1.00 0.00 N ATOM 195 CA ARG A 12 6.071 9.154 -2.898 1.00 0.00 C ATOM 196 C ARG A 12 6.815 9.970 -3.961 1.00 0.00 C ATOM 197 O ARG A 12 6.210 10.740 -4.704 1.00 0.00 O ATOM 198 CB ARG A 12 6.249 9.789 -1.494 1.00 0.00 C ATOM 199 CG ARG A 12 5.680 11.205 -1.306 1.00 0.00 C ATOM 200 CD ARG A 12 6.606 12.277 -1.869 1.00 0.00 C ATOM 201 NE ARG A 12 7.904 12.293 -1.190 1.00 0.00 N ATOM 202 CZ ARG A 12 8.271 13.221 -0.305 1.00 0.00 C ATOM 203 NH1 ARG A 12 7.459 14.229 -0.015 1.00 0.00 N ATOM 204 NH2 ARG A 12 9.458 13.152 0.280 1.00 0.00 N ATOM 0 H ARG A 12 6.802 7.404 -1.960 1.00 0.00 H new ATOM 0 HA ARG A 12 5.010 9.156 -3.149 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.781 9.133 -0.761 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.314 9.816 -1.264 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.709 11.272 -1.796 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.515 11.391 -0.245 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.756 12.103 -2.934 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.133 13.254 -1.769 1.00 0.00 H new ATOM 0 HE ARG A 12 8.567 11.549 -1.407 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.548 14.297 -0.470 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.745 14.936 0.663 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.094 12.388 0.054 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.735 13.863 0.956 1.00 0.00 H new ATOM 218 N HIS A 13 8.117 9.748 -4.044 1.00 0.00 N ATOM 219 CA HIS A 13 8.970 10.422 -5.016 1.00 0.00 C ATOM 220 C HIS A 13 10.016 9.421 -5.521 1.00 0.00 C ATOM 221 O HIS A 13 10.013 8.286 -5.039 1.00 0.00 O ATOM 222 CB HIS A 13 9.639 11.655 -4.389 1.00 0.00 C ATOM 223 CG HIS A 13 8.867 12.931 -4.580 1.00 0.00 C ATOM 224 ND1 HIS A 13 9.244 14.094 -3.957 1.00 0.00 N ATOM 225 CD2 HIS A 13 7.766 13.176 -5.338 1.00 0.00 C ATOM 226 CE1 HIS A 13 8.375 15.012 -4.346 1.00 0.00 C ATOM 227 NE2 HIS A 13 7.464 14.503 -5.184 1.00 0.00 N ATOM 0 H HIS A 13 8.615 9.095 -3.439 1.00 0.00 H new ATOM 0 HA HIS A 13 8.370 10.774 -5.855 1.00 0.00 H new ATOM 0 HB2 HIS A 13 9.773 11.480 -3.322 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.633 11.775 -4.820 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.231 12.461 -5.946 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.398 16.044 -4.027 1.00 0.00 H new ATOM 0 HE2 HIS A 13 6.693 15.006 -5.623 1.00 0.00 H new ATOM 235 N PRO A 14 10.911 9.779 -6.482 1.00 0.00 N ATOM 236 CA PRO A 14 11.934 8.847 -6.981 1.00 0.00 C ATOM 237 C PRO A 14 12.651 8.111 -5.849 1.00 0.00 C ATOM 238 O PRO A 14 12.989 8.701 -4.820 1.00 0.00 O ATOM 239 CB PRO A 14 12.926 9.735 -7.753 1.00 0.00 C ATOM 240 CG PRO A 14 12.462 11.157 -7.558 1.00 0.00 C ATOM 241 CD PRO A 14 11.004 11.080 -7.168 1.00 0.00 C ATOM 0 HA PRO A 14 11.487 8.068 -7.599 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.941 9.602 -7.377 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.941 9.473 -8.811 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.046 11.653 -6.783 1.00 0.00 H new ATOM 0 HG3 PRO A 14 12.589 11.736 -8.473 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.718 11.903 -6.513 1.00 0.00 H new ATOM 0 HD3 PRO A 14 10.351 11.124 -8.039 1.00 0.00 H new ATOM 249 N ALA A 15 12.856 6.818 -6.042 1.00 0.00 N ATOM 250 CA ALA A 15 13.438 5.971 -5.021 1.00 0.00 C ATOM 251 C ALA A 15 14.949 5.920 -5.143 1.00 0.00 C ATOM 252 O ALA A 15 15.481 5.594 -6.209 1.00 0.00 O ATOM 253 CB ALA A 15 12.875 4.571 -5.130 1.00 0.00 C ATOM 0 H ALA A 15 12.624 6.331 -6.907 1.00 0.00 H new ATOM 0 HA ALA A 15 13.186 6.395 -4.049 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.317 3.940 -4.359 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.794 4.602 -4.997 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.108 4.161 -6.113 1.00 0.00 H new ATOM 259 N GLU A 16 15.635 6.232 -4.061 1.00 0.00 N ATOM 260 CA GLU A 16 17.079 6.172 -4.039 1.00 0.00 C ATOM 261 C GLU A 16 17.550 5.092 -3.065 1.00 0.00 C ATOM 262 O GLU A 16 17.151 5.069 -1.902 1.00 0.00 O ATOM 263 CB GLU A 16 17.652 7.531 -3.644 1.00 0.00 C ATOM 264 CG GLU A 16 19.134 7.664 -3.938 1.00 0.00 C ATOM 265 CD GLU A 16 19.431 7.605 -5.421 1.00 0.00 C ATOM 266 OE1 GLU A 16 19.121 8.581 -6.130 1.00 0.00 O ATOM 267 OE2 GLU A 16 19.976 6.583 -5.890 1.00 0.00 O ATOM 0 H GLU A 16 15.211 6.531 -3.183 1.00 0.00 H new ATOM 0 HA GLU A 16 17.437 5.917 -5.037 1.00 0.00 H new ATOM 0 HB2 GLU A 16 17.111 8.314 -4.175 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.484 7.693 -2.579 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.500 8.608 -3.533 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.676 6.867 -3.429 1.00 0.00 H new ATOM 274 N ASN A 17 18.391 4.198 -3.557 1.00 0.00 N ATOM 275 CA ASN A 17 18.936 3.115 -2.746 1.00 0.00 C ATOM 276 C ASN A 17 20.056 3.638 -1.854 1.00 0.00 C ATOM 277 O ASN A 17 20.999 4.279 -2.325 1.00 0.00 O ATOM 278 CB ASN A 17 19.414 1.972 -3.663 1.00 0.00 C ATOM 279 CG ASN A 17 20.582 1.161 -3.114 1.00 0.00 C ATOM 280 OD1 ASN A 17 20.697 0.918 -1.913 1.00 0.00 O ATOM 281 ND2 ASN A 17 21.467 0.734 -4.004 1.00 0.00 N ATOM 0 H ASN A 17 18.716 4.199 -4.524 1.00 0.00 H new ATOM 0 HA ASN A 17 18.160 2.717 -2.092 1.00 0.00 H new ATOM 0 HB2 ASN A 17 18.577 1.299 -3.848 1.00 0.00 H new ATOM 0 HB3 ASN A 17 19.703 2.394 -4.626 1.00 0.00 H new ATOM 0 HD21 ASN A 17 22.272 0.187 -3.700 1.00 0.00 H new ATOM 0 HD22 ASN A 17 21.342 0.953 -4.992 1.00 0.00 H new ATOM 288 N GLY A 18 19.929 3.366 -0.562 1.00 0.00 N ATOM 289 CA GLY A 18 20.862 3.881 0.416 1.00 0.00 C ATOM 290 C GLY A 18 20.467 5.271 0.843 1.00 0.00 C ATOM 291 O GLY A 18 21.288 6.052 1.330 1.00 0.00 O ATOM 0 H GLY A 18 19.184 2.789 -0.172 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.889 3.222 1.284 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.867 3.896 -0.005 1.00 0.00 H new ATOM 295 N LYS A 19 19.194 5.575 0.653 1.00 0.00 N ATOM 296 CA LYS A 19 18.672 6.900 0.901 1.00 0.00 C ATOM 297 C LYS A 19 17.286 6.797 1.512 1.00 0.00 C ATOM 298 O LYS A 19 16.538 5.865 1.221 1.00 0.00 O ATOM 299 CB LYS A 19 18.611 7.655 -0.423 1.00 0.00 C ATOM 300 CG LYS A 19 18.501 9.164 -0.289 1.00 0.00 C ATOM 301 CD LYS A 19 19.785 9.778 0.256 1.00 0.00 C ATOM 302 CE LYS A 19 19.668 11.288 0.404 1.00 0.00 C ATOM 303 NZ LYS A 19 19.361 11.945 -0.891 1.00 0.00 N ATOM 0 H LYS A 19 18.497 4.908 0.323 1.00 0.00 H new ATOM 0 HA LYS A 19 19.318 7.435 1.597 1.00 0.00 H new ATOM 0 HB2 LYS A 19 19.504 7.419 -1.001 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.757 7.291 -0.994 1.00 0.00 H new ATOM 0 HG2 LYS A 19 18.274 9.600 -1.262 1.00 0.00 H new ATOM 0 HG3 LYS A 19 17.671 9.411 0.373 1.00 0.00 H new ATOM 0 HD2 LYS A 19 20.018 9.334 1.224 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.614 9.541 -0.411 1.00 0.00 H new ATOM 0 HE2 LYS A 19 18.886 11.523 1.126 1.00 0.00 H new ATOM 0 HE3 LYS A 19 20.600 11.688 0.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 19.505 12.971 -0.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 19.991 11.570 -1.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 18.372 11.755 -1.151 1.00 0.00 H new ATOM 317 N SER A 20 16.961 7.741 2.373 1.00 0.00 N ATOM 318 CA SER A 20 15.665 7.773 3.008 1.00 0.00 C ATOM 319 C SER A 20 14.588 8.184 2.013 1.00 0.00 C ATOM 320 O SER A 20 14.742 9.165 1.282 1.00 0.00 O ATOM 321 CB SER A 20 15.697 8.751 4.168 1.00 0.00 C ATOM 322 OG SER A 20 16.670 8.375 5.134 1.00 0.00 O ATOM 0 H SER A 20 17.584 8.500 2.648 1.00 0.00 H new ATOM 0 HA SER A 20 15.428 6.775 3.376 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.918 9.752 3.797 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.714 8.795 4.637 1.00 0.00 H new ATOM 0 HG SER A 20 16.669 9.024 5.869 1.00 0.00 H new ATOM 328 N ASN A 21 13.499 7.440 2.010 1.00 0.00 N ATOM 329 CA ASN A 21 12.394 7.679 1.089 1.00 0.00 C ATOM 330 C ASN A 21 11.084 7.404 1.809 1.00 0.00 C ATOM 331 O ASN A 21 11.082 6.906 2.938 1.00 0.00 O ATOM 332 CB ASN A 21 12.509 6.784 -0.164 1.00 0.00 C ATOM 333 CG ASN A 21 12.784 7.572 -1.430 1.00 0.00 C ATOM 334 OD1 ASN A 21 13.935 7.788 -1.802 1.00 0.00 O ATOM 335 ND2 ASN A 21 11.727 7.993 -2.112 1.00 0.00 N ATOM 0 H ASN A 21 13.351 6.654 2.643 1.00 0.00 H new ATOM 0 HA ASN A 21 12.427 8.717 0.759 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.308 6.058 -0.013 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.585 6.220 -0.287 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.854 8.516 -2.978 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.787 7.794 -1.770 1.00 0.00 H new ATOM 342 N PHE A 22 9.969 7.732 1.171 1.00 0.00 N ATOM 343 CA PHE A 22 8.659 7.517 1.775 1.00 0.00 C ATOM 344 C PHE A 22 7.808 6.611 0.882 1.00 0.00 C ATOM 345 O PHE A 22 7.676 6.861 -0.318 1.00 0.00 O ATOM 346 CB PHE A 22 7.941 8.858 2.003 1.00 0.00 C ATOM 347 CG PHE A 22 8.589 9.755 3.029 1.00 0.00 C ATOM 348 CD1 PHE A 22 7.860 10.201 4.116 1.00 0.00 C ATOM 349 CD2 PHE A 22 9.909 10.154 2.908 1.00 0.00 C ATOM 350 CE1 PHE A 22 8.437 11.020 5.067 1.00 0.00 C ATOM 351 CE2 PHE A 22 10.492 10.972 3.854 1.00 0.00 C ATOM 352 CZ PHE A 22 9.753 11.405 4.937 1.00 0.00 C ATOM 0 H PHE A 22 9.944 8.146 0.239 1.00 0.00 H new ATOM 0 HA PHE A 22 8.801 7.031 2.740 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.889 9.392 1.054 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.915 8.657 2.312 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.827 9.905 4.223 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.491 9.820 2.061 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.856 11.358 5.912 1.00 0.00 H new ATOM 0 HE2 PHE A 22 11.524 11.273 3.748 1.00 0.00 H new ATOM 0 HZ PHE A 22 10.206 12.044 5.680 1.00 0.00 H new ATOM 362 N LEU A 23 7.234 5.565 1.472 1.00 0.00 N ATOM 363 CA LEU A 23 6.421 4.605 0.727 1.00 0.00 C ATOM 364 C LEU A 23 4.971 5.016 0.806 1.00 0.00 C ATOM 365 O LEU A 23 4.557 5.636 1.778 1.00 0.00 O ATOM 366 CB LEU A 23 6.562 3.208 1.329 1.00 0.00 C ATOM 367 CG LEU A 23 6.850 2.043 0.359 1.00 0.00 C ATOM 368 CD1 LEU A 23 6.890 0.729 1.131 1.00 0.00 C ATOM 369 CD2 LEU A 23 5.820 1.950 -0.763 1.00 0.00 C ATOM 0 H LEU A 23 7.317 5.360 2.468 1.00 0.00 H new ATOM 0 HA LEU A 23 6.760 4.589 -0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.364 3.238 2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.642 2.979 1.867 1.00 0.00 H new ATOM 0 HG LEU A 23 7.817 2.237 -0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.094 -0.091 0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.676 0.774 1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.929 0.564 1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.069 1.114 -1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.830 1.794 -0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.825 2.875 -1.339 1.00 0.00 H new ATOM 381 N ASN A 24 4.209 4.658 -0.203 1.00 0.00 N ATOM 382 CA ASN A 24 2.778 4.942 -0.231 1.00 0.00 C ATOM 383 C ASN A 24 2.022 3.761 -0.829 1.00 0.00 C ATOM 384 O ASN A 24 2.347 3.292 -1.922 1.00 0.00 O ATOM 385 CB ASN A 24 2.468 6.223 -1.038 1.00 0.00 C ATOM 386 CG ASN A 24 2.305 7.479 -0.187 1.00 0.00 C ATOM 387 OD1 ASN A 24 1.543 8.376 -0.540 1.00 0.00 O ATOM 388 ND2 ASN A 24 3.008 7.562 0.928 1.00 0.00 N ATOM 0 H ASN A 24 4.554 4.164 -1.026 1.00 0.00 H new ATOM 0 HA ASN A 24 2.452 5.103 0.796 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.270 6.388 -1.758 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.554 6.065 -1.610 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.926 8.387 1.522 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.633 6.801 1.195 1.00 0.00 H new ATOM 395 N CYS A 25 1.018 3.277 -0.110 1.00 0.00 N ATOM 396 CA CYS A 25 0.187 2.189 -0.589 1.00 0.00 C ATOM 397 C CYS A 25 -1.264 2.663 -0.591 1.00 0.00 C ATOM 398 O CYS A 25 -1.808 3.038 0.450 1.00 0.00 O ATOM 399 CB CYS A 25 0.373 0.956 0.298 1.00 0.00 C ATOM 400 SG CYS A 25 -0.070 -0.623 -0.504 1.00 0.00 S ATOM 0 H CYS A 25 0.761 3.626 0.813 1.00 0.00 H new ATOM 0 HA CYS A 25 0.472 1.905 -1.602 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.414 0.907 0.618 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.232 1.075 1.197 1.00 0.00 H new ATOM 405 N TYR A 26 -1.875 2.661 -1.767 1.00 0.00 N ATOM 406 CA TYR A 26 -3.199 3.238 -1.959 1.00 0.00 C ATOM 407 C TYR A 26 -4.173 2.149 -2.376 1.00 0.00 C ATOM 408 O TYR A 26 -4.190 1.746 -3.537 1.00 0.00 O ATOM 409 CB TYR A 26 -3.170 4.307 -3.069 1.00 0.00 C ATOM 410 CG TYR A 26 -2.969 5.757 -2.639 1.00 0.00 C ATOM 411 CD1 TYR A 26 -1.721 6.375 -2.731 1.00 0.00 C ATOM 412 CD2 TYR A 26 -4.048 6.536 -2.219 1.00 0.00 C ATOM 413 CE1 TYR A 26 -1.559 7.715 -2.417 1.00 0.00 C ATOM 414 CE2 TYR A 26 -3.886 7.872 -1.894 1.00 0.00 C ATOM 415 CZ TYR A 26 -2.643 8.456 -1.997 1.00 0.00 C ATOM 416 OH TYR A 26 -2.487 9.789 -1.691 1.00 0.00 O ATOM 0 H TYR A 26 -1.469 2.261 -2.613 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.511 3.694 -1.020 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.373 4.048 -3.766 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.108 4.246 -3.621 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.866 5.799 -3.053 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.028 6.088 -2.146 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.587 8.177 -2.501 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.732 8.455 -1.561 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.349 10.164 -1.413 1.00 0.00 H new ATOM 426 N VAL A 27 -4.982 1.670 -1.449 1.00 0.00 N ATOM 427 CA VAL A 27 -5.980 0.672 -1.794 1.00 0.00 C ATOM 428 C VAL A 27 -7.368 1.304 -1.740 1.00 0.00 C ATOM 429 O VAL A 27 -7.824 1.717 -0.675 1.00 0.00 O ATOM 430 CB VAL A 27 -5.933 -0.565 -0.865 1.00 0.00 C ATOM 431 CG1 VAL A 27 -6.614 -1.745 -1.538 1.00 0.00 C ATOM 432 CG2 VAL A 27 -4.503 -0.925 -0.486 1.00 0.00 C ATOM 0 H VAL A 27 -4.970 1.949 -0.468 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.758 0.323 -2.803 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.466 -0.318 0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.577 -2.612 -0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.654 -1.494 -1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.101 -1.977 -2.471 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.508 -1.798 0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.933 -1.150 -1.388 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.042 -0.086 0.035 1.00 0.00 H new ATOM 442 N SER A 28 -8.018 1.411 -2.894 1.00 0.00 N ATOM 443 CA SER A 28 -9.322 2.057 -2.973 1.00 0.00 C ATOM 444 C SER A 28 -10.160 1.467 -4.109 1.00 0.00 C ATOM 445 O SER A 28 -9.716 0.557 -4.814 1.00 0.00 O ATOM 446 CB SER A 28 -9.150 3.569 -3.165 1.00 0.00 C ATOM 447 OG SER A 28 -10.380 4.257 -2.995 1.00 0.00 O ATOM 0 H SER A 28 -7.664 1.060 -3.784 1.00 0.00 H new ATOM 0 HA SER A 28 -9.850 1.876 -2.037 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.419 3.947 -2.451 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.755 3.768 -4.161 1.00 0.00 H new ATOM 0 HG SER A 28 -10.659 4.201 -2.057 1.00 0.00 H new ATOM 453 N GLY A 29 -11.375 1.992 -4.272 1.00 0.00 N ATOM 454 CA GLY A 29 -12.281 1.509 -5.296 1.00 0.00 C ATOM 455 C GLY A 29 -13.178 0.406 -4.782 1.00 0.00 C ATOM 456 O GLY A 29 -13.665 -0.419 -5.547 1.00 0.00 O ATOM 0 H GLY A 29 -11.748 2.752 -3.704 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -12.893 2.335 -5.658 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.706 1.142 -6.146 1.00 0.00 H new ATOM 460 N PHE A 30 -13.386 0.390 -3.476 1.00 0.00 N ATOM 461 CA PHE A 30 -14.144 -0.679 -2.830 1.00 0.00 C ATOM 462 C PHE A 30 -15.233 -0.133 -1.901 1.00 0.00 C ATOM 463 O PHE A 30 -15.438 1.077 -1.805 1.00 0.00 O ATOM 464 CB PHE A 30 -13.183 -1.549 -2.017 1.00 0.00 C ATOM 465 CG PHE A 30 -12.487 -0.769 -0.934 1.00 0.00 C ATOM 466 CD1 PHE A 30 -11.300 -0.108 -1.194 1.00 0.00 C ATOM 467 CD2 PHE A 30 -13.033 -0.676 0.334 1.00 0.00 C ATOM 468 CE1 PHE A 30 -10.673 0.632 -0.213 1.00 0.00 C ATOM 469 CE2 PHE A 30 -12.406 0.056 1.320 1.00 0.00 C ATOM 470 CZ PHE A 30 -11.225 0.711 1.046 1.00 0.00 C ATOM 0 H PHE A 30 -13.041 1.106 -2.837 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.633 -1.262 -3.610 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.734 -2.376 -1.570 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.439 -1.986 -2.683 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -10.858 -0.172 -2.178 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -13.961 -1.183 0.554 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.750 1.149 -0.432 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -12.840 0.116 2.307 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.733 1.285 1.817 1.00 0.00 H new ATOM 480 N HIS A 31 -15.916 -1.059 -1.225 1.00 0.00 N ATOM 481 CA HIS A 31 -16.901 -0.732 -0.182 1.00 0.00 C ATOM 482 C HIS A 31 -16.726 -1.731 0.964 1.00 0.00 C ATOM 483 O HIS A 31 -16.088 -2.766 0.768 1.00 0.00 O ATOM 484 CB HIS A 31 -18.369 -0.768 -0.683 1.00 0.00 C ATOM 485 CG HIS A 31 -18.666 0.141 -1.839 1.00 0.00 C ATOM 486 ND1 HIS A 31 -19.117 1.421 -1.639 1.00 0.00 N ATOM 487 CD2 HIS A 31 -18.602 -0.102 -3.169 1.00 0.00 C ATOM 488 CE1 HIS A 31 -19.318 1.925 -2.842 1.00 0.00 C ATOM 489 NE2 HIS A 31 -19.022 1.039 -3.806 1.00 0.00 N ATOM 0 H HIS A 31 -15.804 -2.060 -1.383 1.00 0.00 H new ATOM 0 HA HIS A 31 -16.716 0.293 0.141 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.614 -1.790 -0.972 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -19.027 -0.505 0.145 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -19.266 1.887 -0.744 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -18.281 -1.020 -3.640 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -19.676 2.927 -3.028 1.00 0.00 H new ATOM 497 N PRO A 32 -17.257 -1.467 2.178 1.00 0.00 N ATOM 498 CA PRO A 32 -17.998 -0.239 2.522 1.00 0.00 C ATOM 499 C PRO A 32 -17.143 1.024 2.409 1.00 0.00 C ATOM 500 O PRO A 32 -17.361 1.844 1.520 1.00 0.00 O ATOM 501 CB PRO A 32 -18.435 -0.466 3.974 1.00 0.00 C ATOM 502 CG PRO A 32 -17.542 -1.539 4.494 1.00 0.00 C ATOM 503 CD PRO A 32 -17.187 -2.397 3.316 1.00 0.00 C ATOM 0 HA PRO A 32 -18.829 -0.073 1.837 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -18.335 0.447 4.561 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -19.482 -0.766 4.027 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -16.648 -1.114 4.949 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -18.045 -2.124 5.264 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -16.192 -2.829 3.420 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -17.884 -3.227 3.199 1.00 0.00 H new ATOM 511 N SER A 33 -16.179 1.197 3.309 1.00 0.00 N ATOM 512 CA SER A 33 -15.236 2.302 3.240 1.00 0.00 C ATOM 513 C SER A 33 -13.943 1.863 3.923 1.00 0.00 C ATOM 514 O SER A 33 -13.052 2.670 4.187 1.00 0.00 O ATOM 515 CB SER A 33 -15.813 3.535 3.945 1.00 0.00 C ATOM 516 OG SER A 33 -17.010 3.965 3.318 1.00 0.00 O ATOM 0 H SER A 33 -16.032 0.575 4.104 1.00 0.00 H new ATOM 0 HA SER A 33 -15.042 2.567 2.201 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.010 3.301 4.991 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.081 4.342 3.931 1.00 0.00 H new ATOM 0 HG SER A 33 -17.199 3.392 2.546 1.00 0.00 H new ATOM 522 N ASP A 34 -13.851 0.555 4.186 1.00 0.00 N ATOM 523 CA ASP A 34 -12.789 0.006 5.020 1.00 0.00 C ATOM 524 C ASP A 34 -12.117 -1.193 4.357 1.00 0.00 C ATOM 525 O ASP A 34 -12.791 -2.097 3.855 1.00 0.00 O ATOM 526 CB ASP A 34 -13.349 -0.440 6.374 1.00 0.00 C ATOM 527 CG ASP A 34 -13.815 0.712 7.239 1.00 0.00 C ATOM 528 OD1 ASP A 34 -13.070 1.106 8.161 1.00 0.00 O ATOM 529 OD2 ASP A 34 -14.929 1.225 7.008 1.00 0.00 O ATOM 0 H ASP A 34 -14.505 -0.142 3.829 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.051 0.796 5.158 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.184 -1.121 6.207 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.583 -1.000 6.909 1.00 0.00 H new ATOM 534 N ILE A 35 -10.792 -1.189 4.358 1.00 0.00 N ATOM 535 CA ILE A 35 -9.998 -2.340 3.931 1.00 0.00 C ATOM 536 C ILE A 35 -8.748 -2.405 4.794 1.00 0.00 C ATOM 537 O ILE A 35 -8.321 -1.388 5.351 1.00 0.00 O ATOM 538 CB ILE A 35 -9.580 -2.271 2.439 1.00 0.00 C ATOM 539 CG1 ILE A 35 -9.136 -3.656 1.948 1.00 0.00 C ATOM 540 CG2 ILE A 35 -8.455 -1.265 2.242 1.00 0.00 C ATOM 541 CD1 ILE A 35 -8.212 -3.628 0.744 1.00 0.00 C ATOM 0 H ILE A 35 -10.233 -0.389 4.654 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.617 -3.230 4.046 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.442 -1.946 1.857 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.633 -4.174 2.765 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.021 -4.240 1.698 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.177 -1.232 1.189 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.790 -0.278 2.560 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.591 -1.564 2.836 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.948 -4.648 0.464 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.717 -3.142 -0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.307 -3.074 0.993 1.00 0.00 H new ATOM 553 N GLU A 36 -8.172 -3.582 4.943 1.00 0.00 N ATOM 554 CA GLU A 36 -6.968 -3.740 5.728 1.00 0.00 C ATOM 555 C GLU A 36 -5.820 -4.092 4.788 1.00 0.00 C ATOM 556 O GLU A 36 -5.949 -4.991 3.951 1.00 0.00 O ATOM 557 CB GLU A 36 -7.178 -4.863 6.752 1.00 0.00 C ATOM 558 CG GLU A 36 -6.402 -4.698 8.049 1.00 0.00 C ATOM 559 CD GLU A 36 -4.904 -4.654 7.863 1.00 0.00 C ATOM 560 OE1 GLU A 36 -4.371 -3.547 7.656 1.00 0.00 O ATOM 561 OE2 GLU A 36 -4.256 -5.717 7.953 1.00 0.00 O ATOM 0 H GLU A 36 -8.522 -4.445 4.528 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.734 -2.818 6.260 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.241 -4.927 6.987 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.895 -5.811 6.294 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.725 -3.780 8.540 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.651 -5.522 8.718 1.00 0.00 H new ATOM 568 N VAL A 37 -4.709 -3.392 4.925 1.00 0.00 N ATOM 569 CA VAL A 37 -3.568 -3.587 4.035 1.00 0.00 C ATOM 570 C VAL A 37 -2.262 -3.437 4.810 1.00 0.00 C ATOM 571 O VAL A 37 -2.138 -2.588 5.687 1.00 0.00 O ATOM 572 CB VAL A 37 -3.618 -2.653 2.778 1.00 0.00 C ATOM 573 CG1 VAL A 37 -4.715 -1.618 2.919 1.00 0.00 C ATOM 574 CG2 VAL A 37 -2.275 -1.973 2.480 1.00 0.00 C ATOM 0 H VAL A 37 -4.568 -2.682 5.643 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.620 -4.605 3.648 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.840 -3.297 1.927 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.730 -0.981 2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.677 -2.119 3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.528 -1.007 3.802 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.375 -1.340 1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.979 -1.363 3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.515 -2.733 2.297 1.00 0.00 H new ATOM 584 N ASP A 38 -1.309 -4.289 4.487 1.00 0.00 N ATOM 585 CA ASP A 38 -0.045 -4.348 5.207 1.00 0.00 C ATOM 586 C ASP A 38 1.116 -4.332 4.222 1.00 0.00 C ATOM 587 O ASP A 38 1.001 -4.839 3.110 1.00 0.00 O ATOM 588 CB ASP A 38 -0.024 -5.596 6.113 1.00 0.00 C ATOM 589 CG ASP A 38 1.046 -6.613 5.774 1.00 0.00 C ATOM 590 OD1 ASP A 38 2.225 -6.364 6.074 1.00 0.00 O ATOM 591 OD2 ASP A 38 0.689 -7.691 5.254 1.00 0.00 O ATOM 0 H ASP A 38 -1.385 -4.959 3.722 1.00 0.00 H new ATOM 0 HA ASP A 38 0.061 -3.472 5.847 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.115 -5.275 7.145 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.998 -6.083 6.058 1.00 0.00 H new ATOM 596 N LEU A 39 2.214 -3.708 4.615 1.00 0.00 N ATOM 597 CA LEU A 39 3.374 -3.602 3.743 1.00 0.00 C ATOM 598 C LEU A 39 4.392 -4.676 4.095 1.00 0.00 C ATOM 599 O LEU A 39 4.656 -4.935 5.266 1.00 0.00 O ATOM 600 CB LEU A 39 4.019 -2.216 3.842 1.00 0.00 C ATOM 601 CG LEU A 39 3.054 -1.026 3.816 1.00 0.00 C ATOM 602 CD1 LEU A 39 3.819 0.282 3.937 1.00 0.00 C ATOM 603 CD2 LEU A 39 2.212 -1.024 2.554 1.00 0.00 C ATOM 0 H LEU A 39 2.327 -3.268 5.528 1.00 0.00 H new ATOM 0 HA LEU A 39 3.038 -3.746 2.716 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.597 -2.170 4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.724 -2.105 3.019 1.00 0.00 H new ATOM 0 HG LEU A 39 2.383 -1.125 4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.118 1.117 3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.372 0.295 4.877 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.517 0.374 3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.538 -0.167 2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.863 -0.960 1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.629 -1.943 2.504 1.00 0.00 H new ATOM 615 N LEU A 40 4.968 -5.281 3.076 1.00 0.00 N ATOM 616 CA LEU A 40 5.843 -6.423 3.255 1.00 0.00 C ATOM 617 C LEU A 40 7.291 -6.116 2.922 1.00 0.00 C ATOM 618 O LEU A 40 7.645 -5.034 2.460 1.00 0.00 O ATOM 619 CB LEU A 40 5.432 -7.592 2.370 1.00 0.00 C ATOM 620 CG LEU A 40 3.947 -7.908 2.281 1.00 0.00 C ATOM 621 CD1 LEU A 40 3.737 -8.976 1.222 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.417 -8.374 3.626 1.00 0.00 C ATOM 0 H LEU A 40 4.844 -4.997 2.104 1.00 0.00 H new ATOM 0 HA LEU A 40 5.751 -6.677 4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.797 -7.397 1.362 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.946 -8.484 2.728 1.00 0.00 H new ATOM 0 HG LEU A 40 3.398 -7.008 2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.675 -9.212 1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.095 -8.610 0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.290 -9.874 1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.353 -8.595 3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.951 -9.273 3.936 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.567 -7.589 4.368 1.00 0.00 H new ATOM 634 N LYS A 41 8.093 -7.142 3.139 1.00 0.00 N ATOM 635 CA LYS A 41 9.511 -7.135 2.842 1.00 0.00 C ATOM 636 C LYS A 41 9.962 -8.535 2.473 1.00 0.00 C ATOM 637 O LYS A 41 10.172 -9.375 3.349 1.00 0.00 O ATOM 638 CB LYS A 41 10.313 -6.609 4.013 1.00 0.00 C ATOM 639 CG LYS A 41 10.455 -5.101 3.994 1.00 0.00 C ATOM 640 CD LYS A 41 11.276 -4.606 5.179 1.00 0.00 C ATOM 641 CE LYS A 41 10.663 -5.011 6.513 1.00 0.00 C ATOM 642 NZ LYS A 41 11.618 -4.837 7.641 1.00 0.00 N ATOM 0 H LYS A 41 7.768 -8.023 3.536 1.00 0.00 H new ATOM 0 HA LYS A 41 9.685 -6.468 1.997 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.832 -6.913 4.943 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.304 -7.063 4.003 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.931 -4.790 3.064 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.467 -4.640 4.016 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.288 -5.005 5.110 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.358 -3.520 5.134 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.770 -4.413 6.698 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.345 -6.052 6.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.161 -5.124 8.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.459 -5.427 7.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.902 -3.839 7.704 1.00 0.00 H new ATOM 656 N ASN A 42 10.070 -8.779 1.169 1.00 0.00 N ATOM 657 CA ASN A 42 10.400 -10.101 0.614 1.00 0.00 C ATOM 658 C ASN A 42 9.317 -11.141 0.912 1.00 0.00 C ATOM 659 O ASN A 42 9.286 -12.206 0.296 1.00 0.00 O ATOM 660 CB ASN A 42 11.775 -10.599 1.095 1.00 0.00 C ATOM 661 CG ASN A 42 12.930 -9.869 0.436 1.00 0.00 C ATOM 662 OD1 ASN A 42 13.321 -10.194 -0.685 1.00 0.00 O ATOM 663 ND2 ASN A 42 13.511 -8.907 1.139 1.00 0.00 N ATOM 0 H ASN A 42 9.931 -8.062 0.457 1.00 0.00 H new ATOM 0 HA ASN A 42 10.447 -9.973 -0.467 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.843 -10.476 2.176 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.862 -11.666 0.890 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.312 -8.407 0.754 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.157 -8.667 2.065 1.00 0.00 H new ATOM 670 N GLY A 43 8.430 -10.825 1.846 1.00 0.00 N ATOM 671 CA GLY A 43 7.331 -11.708 2.166 1.00 0.00 C ATOM 672 C GLY A 43 6.803 -11.499 3.569 1.00 0.00 C ATOM 673 O GLY A 43 5.794 -12.087 3.948 1.00 0.00 O ATOM 0 H GLY A 43 8.455 -9.963 2.391 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.523 -11.550 1.451 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.657 -12.742 2.055 1.00 0.00 H new ATOM 677 N GLU A 44 7.462 -10.637 4.328 1.00 0.00 N ATOM 678 CA GLU A 44 7.182 -10.492 5.743 1.00 0.00 C ATOM 679 C GLU A 44 6.586 -9.129 6.051 1.00 0.00 C ATOM 680 O GLU A 44 6.953 -8.134 5.433 1.00 0.00 O ATOM 681 CB GLU A 44 8.496 -10.663 6.469 1.00 0.00 C ATOM 682 CG GLU A 44 9.227 -11.922 6.067 1.00 0.00 C ATOM 683 CD GLU A 44 8.638 -13.179 6.677 1.00 0.00 C ATOM 684 OE1 GLU A 44 9.284 -13.753 7.580 1.00 0.00 O ATOM 685 OE2 GLU A 44 7.535 -13.598 6.269 1.00 0.00 O ATOM 0 H GLU A 44 8.200 -10.024 3.981 1.00 0.00 H new ATOM 0 HA GLU A 44 6.452 -11.236 6.062 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.131 -9.800 6.269 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.313 -10.682 7.543 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.211 -12.012 4.981 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.272 -11.838 6.365 1.00 0.00 H new ATOM 692 N ARG A 45 5.671 -9.098 7.011 1.00 0.00 N ATOM 693 CA ARG A 45 4.995 -7.872 7.400 1.00 0.00 C ATOM 694 C ARG A 45 5.948 -6.863 8.040 1.00 0.00 C ATOM 695 O ARG A 45 6.802 -7.223 8.854 1.00 0.00 O ATOM 696 CB ARG A 45 3.877 -8.198 8.386 1.00 0.00 C ATOM 697 CG ARG A 45 3.144 -6.958 8.890 1.00 0.00 C ATOM 698 CD ARG A 45 1.963 -7.278 9.800 1.00 0.00 C ATOM 699 NE ARG A 45 1.618 -6.124 10.628 1.00 0.00 N ATOM 700 CZ ARG A 45 0.597 -5.304 10.382 1.00 0.00 C ATOM 701 NH1 ARG A 45 -0.219 -5.536 9.363 1.00 0.00 N ATOM 702 NH2 ARG A 45 0.394 -4.249 11.159 1.00 0.00 N ATOM 0 H ARG A 45 5.379 -9.920 7.539 1.00 0.00 H new ATOM 0 HA ARG A 45 4.590 -7.421 6.494 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.161 -8.866 7.907 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.296 -8.736 9.236 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.847 -6.324 9.430 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.788 -6.383 8.035 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.103 -7.569 9.198 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.209 -8.128 10.437 1.00 0.00 H new ATOM 0 HE ARG A 45 2.196 -5.934 11.447 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.067 -6.346 8.762 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.999 -4.904 9.180 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.019 -4.066 11.944 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.387 -3.620 10.972 1.00 0.00 H new ATOM 716 N ILE A 46 5.775 -5.603 7.668 1.00 0.00 N ATOM 717 CA ILE A 46 6.490 -4.497 8.274 1.00 0.00 C ATOM 718 C ILE A 46 5.656 -3.930 9.407 1.00 0.00 C ATOM 719 O ILE A 46 4.442 -3.773 9.273 1.00 0.00 O ATOM 720 CB ILE A 46 6.755 -3.383 7.249 1.00 0.00 C ATOM 721 CG1 ILE A 46 7.511 -3.944 6.055 1.00 0.00 C ATOM 722 CG2 ILE A 46 7.536 -2.241 7.889 1.00 0.00 C ATOM 723 CD1 ILE A 46 7.641 -2.965 4.910 1.00 0.00 C ATOM 0 H ILE A 46 5.129 -5.321 6.931 1.00 0.00 H new ATOM 0 HA ILE A 46 7.446 -4.866 8.645 1.00 0.00 H new ATOM 0 HB ILE A 46 5.799 -2.989 6.905 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.507 -4.250 6.376 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.001 -4.840 5.701 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.714 -1.462 7.148 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.962 -1.828 8.719 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.491 -2.615 8.258 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.191 -3.432 4.093 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.649 -2.678 4.562 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.177 -2.078 5.248 1.00 0.00 H new ATOM 735 N GLU A 47 6.295 -3.617 10.513 1.00 0.00 N ATOM 736 CA GLU A 47 5.588 -3.210 11.717 1.00 0.00 C ATOM 737 C GLU A 47 5.411 -1.692 11.809 1.00 0.00 C ATOM 738 O GLU A 47 4.359 -1.222 12.237 1.00 0.00 O ATOM 739 CB GLU A 47 6.296 -3.745 12.976 1.00 0.00 C ATOM 740 CG GLU A 47 7.823 -3.680 12.957 1.00 0.00 C ATOM 741 CD GLU A 47 8.477 -4.650 11.992 1.00 0.00 C ATOM 742 OE1 GLU A 47 8.602 -5.843 12.327 1.00 0.00 O ATOM 743 OE2 GLU A 47 8.872 -4.208 10.892 1.00 0.00 O ATOM 0 H GLU A 47 7.310 -3.636 10.608 1.00 0.00 H new ATOM 0 HA GLU A 47 4.591 -3.647 11.657 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.938 -3.183 13.838 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.997 -4.782 13.125 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.129 -2.666 12.698 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.196 -3.878 13.962 1.00 0.00 H new ATOM 750 N LYS A 48 6.444 -0.930 11.434 1.00 0.00 N ATOM 751 CA LYS A 48 6.377 0.534 11.421 1.00 0.00 C ATOM 752 C LYS A 48 5.254 1.083 10.544 1.00 0.00 C ATOM 753 O LYS A 48 4.945 2.272 10.605 1.00 0.00 O ATOM 754 CB LYS A 48 7.705 1.089 10.938 1.00 0.00 C ATOM 755 CG LYS A 48 8.852 0.758 11.858 1.00 0.00 C ATOM 756 CD LYS A 48 9.193 1.925 12.755 1.00 0.00 C ATOM 757 CE LYS A 48 10.440 1.652 13.581 1.00 0.00 C ATOM 758 NZ LYS A 48 11.647 1.496 12.724 1.00 0.00 N ATOM 0 H LYS A 48 7.343 -1.307 11.133 1.00 0.00 H new ATOM 0 HA LYS A 48 6.163 0.850 12.442 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.918 0.694 9.945 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.626 2.172 10.840 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.593 -0.108 12.467 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.726 0.483 11.268 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.346 2.818 12.149 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.354 2.131 13.419 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.597 2.470 14.284 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.294 0.748 14.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.502 1.599 13.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.640 0.554 12.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.643 2.225 11.983 1.00 0.00 H new ATOM 772 N VAL A 49 4.668 0.231 9.718 1.00 0.00 N ATOM 773 CA VAL A 49 3.577 0.647 8.858 1.00 0.00 C ATOM 774 C VAL A 49 2.391 1.136 9.660 1.00 0.00 C ATOM 775 O VAL A 49 1.863 0.422 10.512 1.00 0.00 O ATOM 776 CB VAL A 49 3.082 -0.482 7.954 1.00 0.00 C ATOM 777 CG1 VAL A 49 1.944 0.027 7.075 1.00 0.00 C ATOM 778 CG2 VAL A 49 4.227 -1.034 7.126 1.00 0.00 C ATOM 0 H VAL A 49 4.930 -0.750 9.626 1.00 0.00 H new ATOM 0 HA VAL A 49 3.985 1.453 8.248 1.00 0.00 H new ATOM 0 HB VAL A 49 2.699 -1.299 8.566 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.593 -0.780 6.431 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.124 0.372 7.705 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.301 0.853 6.460 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.860 -1.837 6.487 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.644 -0.240 6.507 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.001 -1.422 7.788 1.00 0.00 H new ATOM 788 N GLU A 50 1.977 2.349 9.377 1.00 0.00 N ATOM 789 CA GLU A 50 0.761 2.877 9.941 1.00 0.00 C ATOM 790 C GLU A 50 -0.138 3.383 8.827 1.00 0.00 C ATOM 791 O GLU A 50 0.289 3.576 7.687 1.00 0.00 O ATOM 792 CB GLU A 50 1.055 4.005 10.929 1.00 0.00 C ATOM 793 CG GLU A 50 1.984 3.604 12.053 1.00 0.00 C ATOM 794 CD GLU A 50 1.240 3.102 13.270 1.00 0.00 C ATOM 795 OE1 GLU A 50 0.876 3.936 14.128 1.00 0.00 O ATOM 796 OE2 GLU A 50 1.021 1.878 13.384 1.00 0.00 O ATOM 0 H GLU A 50 2.469 2.991 8.755 1.00 0.00 H new ATOM 0 HA GLU A 50 0.257 2.077 10.484 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.494 4.844 10.389 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.115 4.357 11.355 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.662 2.827 11.700 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.599 4.459 12.334 1.00 0.00 H new ATOM 803 N HIS A 51 -1.379 3.581 9.179 1.00 0.00 N ATOM 804 CA HIS A 51 -2.364 4.139 8.262 1.00 0.00 C ATOM 805 C HIS A 51 -2.835 5.495 8.755 1.00 0.00 C ATOM 806 O HIS A 51 -3.180 5.658 9.929 1.00 0.00 O ATOM 807 CB HIS A 51 -3.551 3.198 8.049 1.00 0.00 C ATOM 808 CG HIS A 51 -4.229 2.727 9.305 1.00 0.00 C ATOM 809 ND1 HIS A 51 -5.471 3.197 9.661 1.00 0.00 N ATOM 810 CD2 HIS A 51 -3.818 1.824 10.232 1.00 0.00 C ATOM 811 CE1 HIS A 51 -5.786 2.575 10.785 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.816 1.735 11.168 1.00 0.00 N ATOM 0 H HIS A 51 -1.746 3.364 10.106 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.877 4.263 7.295 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.288 3.704 7.426 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.207 2.326 7.492 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.885 1.281 10.232 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.709 2.726 11.326 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.819 1.142 11.998 1.00 0.00 H new ATOM 820 N SER A 52 -2.823 6.471 7.863 1.00 0.00 N ATOM 821 CA SER A 52 -3.170 7.830 8.233 1.00 0.00 C ATOM 822 C SER A 52 -4.520 8.236 7.641 1.00 0.00 C ATOM 823 O SER A 52 -5.332 7.376 7.291 1.00 0.00 O ATOM 824 CB SER A 52 -2.066 8.796 7.793 1.00 0.00 C ATOM 825 OG SER A 52 -2.182 10.044 8.461 1.00 0.00 O ATOM 0 H SER A 52 -2.577 6.347 6.881 1.00 0.00 H new ATOM 0 HA SER A 52 -3.260 7.877 9.318 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.090 8.357 8.002 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.122 8.950 6.715 1.00 0.00 H new ATOM 0 HG SER A 52 -1.465 10.642 8.164 1.00 0.00 H new ATOM 973 N PHE A 62 -13.298 6.431 -1.511 1.00 0.00 N ATOM 974 CA PHE A 62 -12.710 6.511 -0.184 1.00 0.00 C ATOM 975 C PHE A 62 -11.301 5.939 -0.212 1.00 0.00 C ATOM 976 O PHE A 62 -11.116 4.743 -0.446 1.00 0.00 O ATOM 977 CB PHE A 62 -13.564 5.731 0.825 1.00 0.00 C ATOM 978 CG PHE A 62 -15.027 5.647 0.465 1.00 0.00 C ATOM 979 CD1 PHE A 62 -15.904 6.677 0.777 1.00 0.00 C ATOM 980 CD2 PHE A 62 -15.525 4.523 -0.183 1.00 0.00 C ATOM 981 CE1 PHE A 62 -17.247 6.585 0.450 1.00 0.00 C ATOM 982 CE2 PHE A 62 -16.865 4.430 -0.512 1.00 0.00 C ATOM 983 CZ PHE A 62 -17.725 5.461 -0.195 1.00 0.00 C ATOM 0 HA PHE A 62 -12.672 7.557 0.121 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -13.166 4.721 0.916 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -13.469 6.201 1.804 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -15.535 7.559 1.280 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -14.857 3.712 -0.433 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -17.920 7.392 0.699 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -17.238 3.551 -1.017 1.00 0.00 H new ATOM 0 HZ PHE A 62 -18.772 5.389 -0.451 1.00 0.00 H new ATOM 993 N TYR A 63 -10.309 6.789 -0.010 1.00 0.00 N ATOM 994 CA TYR A 63 -8.930 6.340 -0.016 1.00 0.00 C ATOM 995 C TYR A 63 -8.525 5.901 1.382 1.00 0.00 C ATOM 996 O TYR A 63 -8.959 6.482 2.376 1.00 0.00 O ATOM 997 CB TYR A 63 -7.986 7.468 -0.466 1.00 0.00 C ATOM 998 CG TYR A 63 -8.325 8.109 -1.795 1.00 0.00 C ATOM 999 CD1 TYR A 63 -7.876 7.567 -2.995 1.00 0.00 C ATOM 1000 CD2 TYR A 63 -9.072 9.278 -1.843 1.00 0.00 C ATOM 1001 CE1 TYR A 63 -8.165 8.174 -4.203 1.00 0.00 C ATOM 1002 CE2 TYR A 63 -9.370 9.886 -3.046 1.00 0.00 C ATOM 1003 CZ TYR A 63 -8.914 9.332 -4.222 1.00 0.00 C ATOM 1004 OH TYR A 63 -9.201 9.943 -5.421 1.00 0.00 O ATOM 0 H TYR A 63 -10.432 7.787 0.159 1.00 0.00 H new ATOM 0 HA TYR A 63 -8.852 5.506 -0.714 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.982 8.243 0.301 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -6.973 7.070 -0.522 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -7.293 6.658 -2.983 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -9.426 9.720 -0.923 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -7.806 7.744 -5.126 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -9.958 10.792 -3.065 1.00 0.00 H new ATOM 0 HH TYR A 63 -9.738 10.746 -5.258 1.00 0.00 H new ATOM 1014 N LEU A 64 -7.680 4.894 1.452 1.00 0.00 N ATOM 1015 CA LEU A 64 -7.062 4.508 2.707 1.00 0.00 C ATOM 1016 C LEU A 64 -5.580 4.311 2.466 1.00 0.00 C ATOM 1017 O LEU A 64 -5.180 3.631 1.518 1.00 0.00 O ATOM 1018 CB LEU A 64 -7.758 3.256 3.272 1.00 0.00 C ATOM 1019 CG LEU A 64 -7.035 2.498 4.386 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -8.048 1.979 5.389 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -6.248 1.344 3.799 1.00 0.00 C ATOM 0 H LEU A 64 -7.403 4.325 0.652 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.178 5.286 3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.737 3.554 3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.929 2.563 2.448 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.345 3.174 4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.531 1.439 6.182 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.597 2.817 5.819 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.745 1.307 4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.736 0.809 4.599 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.928 0.664 3.285 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.514 1.727 3.091 1.00 0.00 H new ATOM 1033 N LEU A 65 -4.765 4.920 3.312 1.00 0.00 N ATOM 1034 CA LEU A 65 -3.349 5.008 3.038 1.00 0.00 C ATOM 1035 C LEU A 65 -2.521 4.317 4.111 1.00 0.00 C ATOM 1036 O LEU A 65 -2.592 4.659 5.290 1.00 0.00 O ATOM 1037 CB LEU A 65 -2.946 6.482 2.893 1.00 0.00 C ATOM 1038 CG LEU A 65 -1.452 6.786 2.629 1.00 0.00 C ATOM 1039 CD1 LEU A 65 -0.803 5.780 1.706 1.00 0.00 C ATOM 1040 CD2 LEU A 65 -1.293 8.191 2.068 1.00 0.00 C ATOM 0 H LEU A 65 -5.061 5.356 4.186 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.147 4.487 2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.527 6.912 2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.241 7.004 3.804 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.940 6.713 3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.244 6.045 1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.867 4.786 2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.318 5.783 0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.237 8.393 1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.845 8.273 1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.683 8.915 2.784 1.00 0.00 H new ATOM 1052 N TYR A 66 -1.730 3.356 3.673 1.00 0.00 N ATOM 1053 CA TYR A 66 -0.817 2.625 4.539 1.00 0.00 C ATOM 1054 C TYR A 66 0.606 2.896 4.094 1.00 0.00 C ATOM 1055 O TYR A 66 0.990 2.556 2.975 1.00 0.00 O ATOM 1056 CB TYR A 66 -1.106 1.124 4.499 1.00 0.00 C ATOM 1057 CG TYR A 66 -2.062 0.612 5.558 1.00 0.00 C ATOM 1058 CD1 TYR A 66 -1.600 0.255 6.822 1.00 0.00 C ATOM 1059 CD2 TYR A 66 -3.410 0.420 5.279 1.00 0.00 C ATOM 1060 CE1 TYR A 66 -2.454 -0.275 7.771 1.00 0.00 C ATOM 1061 CE2 TYR A 66 -4.267 -0.099 6.227 1.00 0.00 C ATOM 1062 CZ TYR A 66 -3.784 -0.451 7.466 1.00 0.00 C ATOM 1063 OH TYR A 66 -4.633 -1.000 8.397 1.00 0.00 O ATOM 0 H TYR A 66 -1.701 3.056 2.698 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.955 2.962 5.566 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.512 0.877 3.518 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.162 0.588 4.598 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.557 0.394 7.065 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.793 0.682 4.304 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.079 -0.549 8.746 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -5.314 -0.229 5.997 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.793 -1.942 8.179 1.00 0.00 H new ATOM 1073 N TYR A 67 1.377 3.533 4.955 1.00 0.00 N ATOM 1074 CA TYR A 67 2.730 3.935 4.586 1.00 0.00 C ATOM 1075 C TYR A 67 3.726 3.714 5.708 1.00 0.00 C ATOM 1076 O TYR A 67 3.355 3.526 6.866 1.00 0.00 O ATOM 1077 CB TYR A 67 2.780 5.401 4.112 1.00 0.00 C ATOM 1078 CG TYR A 67 2.384 6.465 5.119 1.00 0.00 C ATOM 1079 CD1 TYR A 67 1.426 6.248 6.106 1.00 0.00 C ATOM 1080 CD2 TYR A 67 2.935 7.737 5.017 1.00 0.00 C ATOM 1081 CE1 TYR A 67 1.046 7.267 6.960 1.00 0.00 C ATOM 1082 CE2 TYR A 67 2.565 8.748 5.877 1.00 0.00 C ATOM 1083 CZ TYR A 67 1.619 8.510 6.840 1.00 0.00 C ATOM 1084 OH TYR A 67 1.243 9.524 7.689 1.00 0.00 O ATOM 0 H TYR A 67 1.099 3.783 5.904 1.00 0.00 H new ATOM 0 HA TYR A 67 3.019 3.292 3.754 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.795 5.614 3.776 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.129 5.498 3.243 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.974 5.272 6.206 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.667 7.937 4.249 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.300 7.086 7.720 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.019 9.724 5.793 1.00 0.00 H new ATOM 0 HH TYR A 67 1.745 10.337 7.470 1.00 0.00 H new ATOM 1094 N THR A 68 4.997 3.734 5.337 1.00 0.00 N ATOM 1095 CA THR A 68 6.088 3.588 6.281 1.00 0.00 C ATOM 1096 C THR A 68 7.336 4.251 5.704 1.00 0.00 C ATOM 1097 O THR A 68 7.572 4.211 4.491 1.00 0.00 O ATOM 1098 CB THR A 68 6.389 2.100 6.596 1.00 0.00 C ATOM 1099 OG1 THR A 68 7.369 2.004 7.638 1.00 0.00 O ATOM 1100 CG2 THR A 68 6.893 1.360 5.363 1.00 0.00 C ATOM 0 H THR A 68 5.299 3.852 4.370 1.00 0.00 H new ATOM 0 HA THR A 68 5.795 4.068 7.215 1.00 0.00 H new ATOM 0 HB THR A 68 5.457 1.637 6.920 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.551 1.060 7.830 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.094 0.320 5.620 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.136 1.401 4.580 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.810 1.829 5.006 1.00 0.00 H new ATOM 1108 N GLU A 69 8.089 4.913 6.561 1.00 0.00 N ATOM 1109 CA GLU A 69 9.354 5.497 6.178 1.00 0.00 C ATOM 1110 C GLU A 69 10.390 4.401 6.053 1.00 0.00 C ATOM 1111 O GLU A 69 10.514 3.556 6.939 1.00 0.00 O ATOM 1112 CB GLU A 69 9.767 6.507 7.240 1.00 0.00 C ATOM 1113 CG GLU A 69 8.573 7.224 7.814 1.00 0.00 C ATOM 1114 CD GLU A 69 8.916 8.176 8.937 1.00 0.00 C ATOM 1115 OE1 GLU A 69 8.854 9.405 8.721 1.00 0.00 O ATOM 1116 OE2 GLU A 69 9.235 7.700 10.045 1.00 0.00 O ATOM 0 H GLU A 69 7.840 5.059 7.539 1.00 0.00 H new ATOM 0 HA GLU A 69 9.266 6.005 5.217 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.305 5.997 8.039 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.454 7.233 6.806 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.077 7.779 7.018 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.859 6.486 8.181 1.00 0.00 H new ATOM 1123 N PHE A 70 11.128 4.411 4.964 1.00 0.00 N ATOM 1124 CA PHE A 70 12.068 3.336 4.698 1.00 0.00 C ATOM 1125 C PHE A 70 13.338 3.866 4.031 1.00 0.00 C ATOM 1126 O PHE A 70 13.351 4.977 3.494 1.00 0.00 O ATOM 1127 CB PHE A 70 11.416 2.220 3.853 1.00 0.00 C ATOM 1128 CG PHE A 70 11.060 2.597 2.431 1.00 0.00 C ATOM 1129 CD1 PHE A 70 10.807 3.908 2.077 1.00 0.00 C ATOM 1130 CD2 PHE A 70 10.974 1.623 1.452 1.00 0.00 C ATOM 1131 CE1 PHE A 70 10.478 4.243 0.775 1.00 0.00 C ATOM 1132 CE2 PHE A 70 10.644 1.947 0.147 1.00 0.00 C ATOM 1133 CZ PHE A 70 10.397 3.262 -0.192 1.00 0.00 C ATOM 0 H PHE A 70 11.099 5.142 4.253 1.00 0.00 H new ATOM 0 HA PHE A 70 12.354 2.901 5.655 1.00 0.00 H new ATOM 0 HB2 PHE A 70 12.095 1.368 3.824 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.509 1.889 4.359 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.867 4.683 2.827 1.00 0.00 H new ATOM 0 HD2 PHE A 70 11.168 0.592 1.710 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.284 5.273 0.516 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.580 1.173 -0.604 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.142 3.522 -1.209 1.00 0.00 H new ATOM 1143 N THR A 71 14.404 3.086 4.101 1.00 0.00 N ATOM 1144 CA THR A 71 15.638 3.396 3.401 1.00 0.00 C ATOM 1145 C THR A 71 15.993 2.244 2.452 1.00 0.00 C ATOM 1146 O THR A 71 16.742 1.336 2.823 1.00 0.00 O ATOM 1147 CB THR A 71 16.786 3.646 4.403 1.00 0.00 C ATOM 1148 OG1 THR A 71 16.378 4.641 5.358 1.00 0.00 O ATOM 1149 CG2 THR A 71 18.054 4.115 3.694 1.00 0.00 C ATOM 0 H THR A 71 14.438 2.223 4.643 1.00 0.00 H new ATOM 0 HA THR A 71 15.496 4.307 2.819 1.00 0.00 H new ATOM 0 HB THR A 71 17.007 2.706 4.908 1.00 0.00 H new ATOM 0 HG1 THR A 71 17.105 4.800 5.996 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.841 4.281 4.429 1.00 0.00 H new ATOM 0 HG22 THR A 71 18.376 3.354 2.983 1.00 0.00 H new ATOM 0 HG23 THR A 71 17.851 5.045 3.163 1.00 0.00 H new ATOM 1157 N PRO A 72 15.423 2.259 1.225 1.00 0.00 N ATOM 1158 CA PRO A 72 15.606 1.195 0.217 1.00 0.00 C ATOM 1159 C PRO A 72 17.064 0.848 -0.041 1.00 0.00 C ATOM 1160 O PRO A 72 17.951 1.694 0.083 1.00 0.00 O ATOM 1161 CB PRO A 72 14.993 1.789 -1.068 1.00 0.00 C ATOM 1162 CG PRO A 72 14.745 3.232 -0.769 1.00 0.00 C ATOM 1163 CD PRO A 72 14.541 3.319 0.715 1.00 0.00 C ATOM 0 HA PRO A 72 15.144 0.268 0.555 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.671 1.675 -1.914 1.00 0.00 H new ATOM 0 HB3 PRO A 72 14.066 1.279 -1.332 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.589 3.846 -1.083 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.869 3.596 -1.305 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.818 4.299 1.105 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.501 3.148 0.991 1.00 0.00 H new ATOM 1171 N THR A 73 17.298 -0.401 -0.412 1.00 0.00 N ATOM 1172 CA THR A 73 18.629 -0.878 -0.727 1.00 0.00 C ATOM 1173 C THR A 73 18.577 -1.772 -1.963 1.00 0.00 C ATOM 1174 O THR A 73 17.497 -2.088 -2.460 1.00 0.00 O ATOM 1175 CB THR A 73 19.257 -1.675 0.443 1.00 0.00 C ATOM 1176 OG1 THR A 73 18.569 -2.915 0.609 1.00 0.00 O ATOM 1177 CG2 THR A 73 19.190 -0.891 1.744 1.00 0.00 C ATOM 0 H THR A 73 16.570 -1.109 -0.502 1.00 0.00 H new ATOM 0 HA THR A 73 19.251 -0.002 -0.912 1.00 0.00 H new ATOM 0 HB THR A 73 20.304 -1.857 0.200 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.740 -2.901 0.087 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.639 -1.477 2.546 1.00 0.00 H new ATOM 0 HG22 THR A 73 19.734 0.047 1.632 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.149 -0.680 1.988 1.00 0.00 H new ATOM 1185 N GLU A 74 19.734 -2.137 -2.473 1.00 0.00 N ATOM 1186 CA GLU A 74 19.836 -3.067 -3.593 1.00 0.00 C ATOM 1187 C GLU A 74 19.286 -4.446 -3.209 1.00 0.00 C ATOM 1188 O GLU A 74 18.581 -5.092 -3.983 1.00 0.00 O ATOM 1189 CB GLU A 74 21.310 -3.172 -3.976 1.00 0.00 C ATOM 1190 CG GLU A 74 21.593 -3.567 -5.410 1.00 0.00 C ATOM 1191 CD GLU A 74 21.348 -5.030 -5.699 1.00 0.00 C ATOM 1192 OE1 GLU A 74 20.329 -5.360 -6.333 1.00 0.00 O ATOM 1193 OE2 GLU A 74 22.196 -5.863 -5.309 1.00 0.00 O ATOM 0 H GLU A 74 20.633 -1.801 -2.128 1.00 0.00 H new ATOM 0 HA GLU A 74 19.247 -2.704 -4.435 1.00 0.00 H new ATOM 0 HB2 GLU A 74 21.785 -2.210 -3.784 1.00 0.00 H new ATOM 0 HB3 GLU A 74 21.786 -3.899 -3.318 1.00 0.00 H new ATOM 0 HG2 GLU A 74 20.970 -2.966 -6.072 1.00 0.00 H new ATOM 0 HG3 GLU A 74 22.630 -3.329 -5.645 1.00 0.00 H new ATOM 1200 N LYS A 75 19.605 -4.872 -1.995 1.00 0.00 N ATOM 1201 CA LYS A 75 19.327 -6.218 -1.545 1.00 0.00 C ATOM 1202 C LYS A 75 17.900 -6.416 -1.039 1.00 0.00 C ATOM 1203 O LYS A 75 17.365 -7.526 -1.126 1.00 0.00 O ATOM 1204 CB LYS A 75 20.317 -6.601 -0.448 1.00 0.00 C ATOM 1205 CG LYS A 75 21.745 -6.699 -0.960 1.00 0.00 C ATOM 1206 CD LYS A 75 21.777 -7.533 -2.220 1.00 0.00 C ATOM 1207 CE LYS A 75 23.171 -7.620 -2.813 1.00 0.00 C ATOM 1208 NZ LYS A 75 23.138 -8.151 -4.198 1.00 0.00 N ATOM 0 H LYS A 75 20.065 -4.288 -1.297 1.00 0.00 H new ATOM 0 HA LYS A 75 19.437 -6.866 -2.415 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.271 -5.862 0.352 1.00 0.00 H new ATOM 0 HB3 LYS A 75 20.023 -7.557 -0.016 1.00 0.00 H new ATOM 0 HG2 LYS A 75 22.139 -5.703 -1.161 1.00 0.00 H new ATOM 0 HG3 LYS A 75 22.385 -7.147 -0.199 1.00 0.00 H new ATOM 0 HD2 LYS A 75 21.415 -8.537 -1.999 1.00 0.00 H new ATOM 0 HD3 LYS A 75 21.097 -7.103 -2.956 1.00 0.00 H new ATOM 0 HE2 LYS A 75 23.631 -6.632 -2.811 1.00 0.00 H new ATOM 0 HE3 LYS A 75 23.794 -8.262 -2.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 24.047 -8.606 -4.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 22.372 -8.849 -4.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 22.972 -7.371 -4.865 1.00 0.00 H new ATOM 1222 N ASP A 76 17.271 -5.374 -0.508 1.00 0.00 N ATOM 1223 CA ASP A 76 15.973 -5.559 0.132 1.00 0.00 C ATOM 1224 C ASP A 76 14.817 -5.249 -0.822 1.00 0.00 C ATOM 1225 O ASP A 76 15.012 -4.689 -1.899 1.00 0.00 O ATOM 1226 CB ASP A 76 15.873 -4.741 1.433 1.00 0.00 C ATOM 1227 CG ASP A 76 15.769 -3.242 1.240 1.00 0.00 C ATOM 1228 OD1 ASP A 76 16.040 -2.746 0.131 1.00 0.00 O ATOM 1229 OD2 ASP A 76 15.458 -2.553 2.230 1.00 0.00 O ATOM 0 H ASP A 76 17.625 -4.418 -0.506 1.00 0.00 H new ATOM 0 HA ASP A 76 15.888 -6.613 0.398 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.002 -5.082 1.993 1.00 0.00 H new ATOM 0 HB3 ASP A 76 16.749 -4.953 2.046 1.00 0.00 H new ATOM 1234 N GLU A 77 13.616 -5.649 -0.419 1.00 0.00 N ATOM 1235 CA GLU A 77 12.442 -5.572 -1.281 1.00 0.00 C ATOM 1236 C GLU A 77 11.190 -5.418 -0.429 1.00 0.00 C ATOM 1237 O GLU A 77 11.064 -6.062 0.611 1.00 0.00 O ATOM 1238 CB GLU A 77 12.363 -6.850 -2.125 1.00 0.00 C ATOM 1239 CG GLU A 77 11.263 -6.876 -3.185 1.00 0.00 C ATOM 1240 CD GLU A 77 11.511 -5.888 -4.293 1.00 0.00 C ATOM 1241 OE1 GLU A 77 12.368 -6.161 -5.153 1.00 0.00 O ATOM 1242 OE2 GLU A 77 10.807 -4.865 -4.334 1.00 0.00 O ATOM 0 H GLU A 77 13.429 -6.033 0.507 1.00 0.00 H new ATOM 0 HA GLU A 77 12.518 -4.708 -1.942 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.323 -6.997 -2.620 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.217 -7.697 -1.455 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.191 -7.879 -3.606 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.304 -6.658 -2.715 1.00 0.00 H new ATOM 1249 N TYR A 78 10.274 -4.576 -0.868 1.00 0.00 N ATOM 1250 CA TYR A 78 9.059 -4.302 -0.116 1.00 0.00 C ATOM 1251 C TYR A 78 7.838 -4.671 -0.943 1.00 0.00 C ATOM 1252 O TYR A 78 7.889 -4.685 -2.173 1.00 0.00 O ATOM 1253 CB TYR A 78 8.977 -2.825 0.298 1.00 0.00 C ATOM 1254 CG TYR A 78 10.257 -2.269 0.892 1.00 0.00 C ATOM 1255 CD1 TYR A 78 11.279 -1.799 0.076 1.00 0.00 C ATOM 1256 CD2 TYR A 78 10.438 -2.209 2.268 1.00 0.00 C ATOM 1257 CE1 TYR A 78 12.441 -1.284 0.614 1.00 0.00 C ATOM 1258 CE2 TYR A 78 11.600 -1.696 2.812 1.00 0.00 C ATOM 1259 CZ TYR A 78 12.596 -1.232 1.981 1.00 0.00 C ATOM 1260 OH TYR A 78 13.749 -0.715 2.522 1.00 0.00 O ATOM 0 H TYR A 78 10.347 -4.065 -1.748 1.00 0.00 H new ATOM 0 HA TYR A 78 9.084 -4.909 0.789 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.707 -2.230 -0.575 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.173 -2.708 1.024 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.162 -1.837 -0.997 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.658 -2.569 2.923 1.00 0.00 H new ATOM 0 HE1 TYR A 78 13.225 -0.923 -0.035 1.00 0.00 H new ATOM 0 HE2 TYR A 78 11.727 -1.659 3.884 1.00 0.00 H new ATOM 0 HH TYR A 78 14.525 -1.178 2.142 1.00 0.00 H new ATOM 1270 N ALA A 79 6.743 -4.977 -0.272 1.00 0.00 N ATOM 1271 CA ALA A 79 5.511 -5.370 -0.964 1.00 0.00 C ATOM 1272 C ALA A 79 4.274 -4.780 -0.298 1.00 0.00 C ATOM 1273 O ALA A 79 4.346 -4.276 0.811 1.00 0.00 O ATOM 1274 CB ALA A 79 5.396 -6.882 -1.036 1.00 0.00 C ATOM 0 H ALA A 79 6.673 -4.964 0.745 1.00 0.00 H new ATOM 0 HA ALA A 79 5.567 -4.970 -1.976 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.475 -7.153 -1.553 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.250 -7.286 -1.580 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.380 -7.294 -0.027 1.00 0.00 H new ATOM 1280 N CYS A 80 3.156 -4.791 -1.005 1.00 0.00 N ATOM 1281 CA CYS A 80 1.879 -4.377 -0.436 1.00 0.00 C ATOM 1282 C CYS A 80 0.911 -5.564 -0.384 1.00 0.00 C ATOM 1283 O CYS A 80 0.754 -6.280 -1.372 1.00 0.00 O ATOM 1284 CB CYS A 80 1.269 -3.246 -1.266 1.00 0.00 C ATOM 1285 SG CYS A 80 1.719 -1.570 -0.711 1.00 0.00 S ATOM 0 H CYS A 80 3.105 -5.084 -1.981 1.00 0.00 H new ATOM 0 HA CYS A 80 2.053 -4.017 0.578 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.580 -3.366 -2.304 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.183 -3.342 -1.245 1.00 0.00 H new ATOM 1290 N ARG A 81 0.286 -5.769 0.770 1.00 0.00 N ATOM 1291 CA ARG A 81 -0.685 -6.847 0.970 1.00 0.00 C ATOM 1292 C ARG A 81 -2.032 -6.247 1.351 1.00 0.00 C ATOM 1293 O ARG A 81 -2.082 -5.330 2.157 1.00 0.00 O ATOM 1294 CB ARG A 81 -0.223 -7.750 2.114 1.00 0.00 C ATOM 1295 CG ARG A 81 -0.980 -9.076 2.239 1.00 0.00 C ATOM 1296 CD ARG A 81 -0.605 -9.812 3.530 1.00 0.00 C ATOM 1297 NE ARG A 81 -1.748 -10.411 4.199 1.00 0.00 N ATOM 1298 CZ ARG A 81 -2.148 -10.047 5.411 1.00 0.00 C ATOM 1299 NH1 ARG A 81 -1.560 -9.027 6.025 1.00 0.00 N ATOM 1300 NH2 ARG A 81 -3.136 -10.697 6.006 1.00 0.00 N ATOM 0 H ARG A 81 0.437 -5.192 1.598 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.771 -7.423 0.049 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.837 -7.965 1.981 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.322 -7.203 3.051 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.053 -8.887 2.224 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.756 -9.708 1.379 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.122 -10.591 3.299 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.118 -9.114 4.211 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.266 -11.144 3.715 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.801 -8.524 5.565 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.867 -8.747 6.956 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.590 -11.478 5.533 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.443 -10.417 6.937 1.00 0.00 H new ATOM 1314 N VAL A 82 -3.122 -6.750 0.788 1.00 0.00 N ATOM 1315 CA VAL A 82 -4.444 -6.266 1.183 1.00 0.00 C ATOM 1316 C VAL A 82 -5.404 -7.414 1.409 1.00 0.00 C ATOM 1317 O VAL A 82 -5.343 -8.443 0.736 1.00 0.00 O ATOM 1318 CB VAL A 82 -5.065 -5.274 0.174 1.00 0.00 C ATOM 1319 CG1 VAL A 82 -4.018 -4.328 -0.345 1.00 0.00 C ATOM 1320 CG2 VAL A 82 -5.767 -5.990 -0.961 1.00 0.00 C ATOM 0 H VAL A 82 -3.123 -7.477 0.072 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.285 -5.726 2.116 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.823 -4.694 0.701 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.472 -3.636 -1.054 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.591 -3.767 0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.231 -4.894 -0.843 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.190 -5.257 -1.648 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.052 -6.616 -1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.566 -6.613 -0.559 1.00 0.00 H new ATOM 1330 N ASN A 83 -6.269 -7.228 2.380 1.00 0.00 N ATOM 1331 CA ASN A 83 -7.281 -8.216 2.718 1.00 0.00 C ATOM 1332 C ASN A 83 -8.673 -7.648 2.505 1.00 0.00 C ATOM 1333 O ASN A 83 -9.007 -6.601 3.062 1.00 0.00 O ATOM 1334 CB ASN A 83 -7.160 -8.634 4.193 1.00 0.00 C ATOM 1335 CG ASN A 83 -5.765 -9.077 4.588 1.00 0.00 C ATOM 1336 OD1 ASN A 83 -5.442 -10.255 4.514 1.00 0.00 O ATOM 1337 ND2 ASN A 83 -4.932 -8.137 5.023 1.00 0.00 N ATOM 0 H ASN A 83 -6.295 -6.390 2.960 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.124 -9.079 2.071 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.458 -7.797 4.824 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.859 -9.447 4.390 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.986 -8.387 5.310 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.239 -7.165 5.070 1.00 0.00 H new ATOM 1344 N HIS A 84 -9.486 -8.323 1.703 1.00 0.00 N ATOM 1345 CA HIS A 84 -10.883 -7.959 1.568 1.00 0.00 C ATOM 1346 C HIS A 84 -11.693 -9.223 1.308 1.00 0.00 C ATOM 1347 O HIS A 84 -11.118 -10.252 0.955 1.00 0.00 O ATOM 1348 CB HIS A 84 -11.058 -6.967 0.420 1.00 0.00 C ATOM 1349 CG HIS A 84 -12.289 -6.127 0.531 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -13.366 -6.332 -0.298 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -12.557 -5.089 1.366 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -14.263 -5.423 0.046 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -13.817 -4.649 1.046 1.00 0.00 N ATOM 0 H HIS A 84 -9.199 -9.123 1.139 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.233 -7.483 2.484 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.186 -6.314 0.380 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.088 -7.516 -0.521 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.907 -4.689 2.130 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.232 -5.318 -0.419 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.320 -3.878 1.486 1.00 0.00 H new ATOM 1361 N VAL A 85 -13.008 -9.160 1.477 1.00 0.00 N ATOM 1362 CA VAL A 85 -13.851 -10.330 1.268 1.00 0.00 C ATOM 1363 C VAL A 85 -13.850 -10.741 -0.206 1.00 0.00 C ATOM 1364 O VAL A 85 -14.088 -11.901 -0.543 1.00 0.00 O ATOM 1365 CB VAL A 85 -15.303 -10.070 1.735 1.00 0.00 C ATOM 1366 CG1 VAL A 85 -15.988 -9.036 0.851 1.00 0.00 C ATOM 1367 CG2 VAL A 85 -16.101 -11.365 1.770 1.00 0.00 C ATOM 0 H VAL A 85 -13.511 -8.318 1.756 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.436 -11.141 1.866 1.00 0.00 H new ATOM 0 HB VAL A 85 -15.261 -9.669 2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -17.007 -8.874 1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -15.436 -8.097 0.894 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -16.013 -9.396 -0.178 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -17.118 -11.157 2.101 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -16.127 -11.804 0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -15.630 -12.064 2.461 1.00 0.00 H new ATOM 1377 N THR A 86 -13.563 -9.779 -1.073 1.00 0.00 N ATOM 1378 CA THR A 86 -13.603 -9.993 -2.504 1.00 0.00 C ATOM 1379 C THR A 86 -12.505 -10.928 -2.962 1.00 0.00 C ATOM 1380 O THR A 86 -12.753 -11.915 -3.657 1.00 0.00 O ATOM 1381 CB THR A 86 -13.429 -8.663 -3.233 1.00 0.00 C ATOM 1382 OG1 THR A 86 -12.340 -7.936 -2.651 1.00 0.00 O ATOM 1383 CG2 THR A 86 -14.687 -7.828 -3.164 1.00 0.00 C ATOM 0 H THR A 86 -13.297 -8.833 -0.800 1.00 0.00 H new ATOM 0 HA THR A 86 -14.570 -10.440 -2.736 1.00 0.00 H new ATOM 0 HB THR A 86 -13.219 -8.876 -4.281 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.679 -7.352 -1.940 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.529 -6.888 -3.693 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.510 -8.371 -3.628 1.00 0.00 H new ATOM 0 HG23 THR A 86 -14.930 -7.622 -2.122 1.00 0.00 H new ATOM 1391 N LEU A 87 -11.292 -10.605 -2.564 1.00 0.00 N ATOM 1392 CA LEU A 87 -10.131 -11.349 -2.985 1.00 0.00 C ATOM 1393 C LEU A 87 -10.153 -12.724 -2.327 1.00 0.00 C ATOM 1394 O LEU A 87 -10.175 -12.826 -1.098 1.00 0.00 O ATOM 1395 CB LEU A 87 -8.848 -10.588 -2.608 1.00 0.00 C ATOM 1396 CG LEU A 87 -8.687 -9.221 -3.281 1.00 0.00 C ATOM 1397 CD1 LEU A 87 -7.368 -8.565 -2.883 1.00 0.00 C ATOM 1398 CD2 LEU A 87 -8.780 -9.364 -4.793 1.00 0.00 C ATOM 0 H LEU A 87 -11.087 -9.823 -1.943 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.147 -11.471 -4.068 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.830 -10.449 -1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.988 -11.206 -2.864 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.497 -8.576 -2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.280 -7.596 -3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.342 -8.426 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.538 -9.203 -3.187 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.664 -8.385 -5.259 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.991 -10.029 -5.145 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.751 -9.780 -5.060 1.00 0.00 H new ATOM 1410 N SER A 88 -10.176 -13.770 -3.155 1.00 0.00 N ATOM 1411 CA SER A 88 -10.213 -15.154 -2.678 1.00 0.00 C ATOM 1412 C SER A 88 -9.084 -15.415 -1.689 1.00 0.00 C ATOM 1413 O SER A 88 -9.176 -16.281 -0.819 1.00 0.00 O ATOM 1414 CB SER A 88 -10.103 -16.109 -3.869 1.00 0.00 C ATOM 1415 OG SER A 88 -8.996 -15.769 -4.695 1.00 0.00 O ATOM 0 H SER A 88 -10.170 -13.683 -4.171 1.00 0.00 H new ATOM 0 HA SER A 88 -11.159 -15.323 -2.165 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.993 -17.132 -3.510 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.022 -16.074 -4.454 1.00 0.00 H new ATOM 0 HG SER A 88 -8.945 -16.394 -5.448 1.00 0.00 H new ATOM 1421 N GLN A 89 -8.028 -14.643 -1.841 1.00 0.00 N ATOM 1422 CA GLN A 89 -6.883 -14.679 -0.962 1.00 0.00 C ATOM 1423 C GLN A 89 -6.244 -13.295 -1.019 1.00 0.00 C ATOM 1424 O GLN A 89 -6.227 -12.682 -2.090 1.00 0.00 O ATOM 1425 CB GLN A 89 -5.895 -15.812 -1.405 1.00 0.00 C ATOM 1426 CG GLN A 89 -5.680 -15.896 -2.918 1.00 0.00 C ATOM 1427 CD GLN A 89 -4.662 -14.917 -3.466 1.00 0.00 C ATOM 1428 OE1 GLN A 89 -3.697 -14.563 -2.797 1.00 0.00 O ATOM 1429 NE2 GLN A 89 -4.867 -14.491 -4.707 1.00 0.00 N ATOM 0 H GLN A 89 -7.942 -13.961 -2.594 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.166 -14.910 0.065 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -4.932 -15.650 -0.920 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.274 -16.770 -1.049 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -5.364 -16.908 -3.171 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.634 -15.726 -3.417 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -5.683 -14.811 -5.228 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.208 -13.844 -5.139 1.00 0.00 H new ATOM 1438 N PRO A 90 -5.806 -12.743 0.138 1.00 0.00 N ATOM 1439 CA PRO A 90 -5.164 -11.417 0.200 1.00 0.00 C ATOM 1440 C PRO A 90 -4.185 -11.181 -0.936 1.00 0.00 C ATOM 1441 O PRO A 90 -3.522 -12.101 -1.411 1.00 0.00 O ATOM 1442 CB PRO A 90 -4.433 -11.465 1.531 1.00 0.00 C ATOM 1443 CG PRO A 90 -5.341 -12.271 2.388 1.00 0.00 C ATOM 1444 CD PRO A 90 -5.911 -13.350 1.488 1.00 0.00 C ATOM 0 HA PRO A 90 -5.887 -10.606 0.110 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.452 -11.930 1.435 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.274 -10.467 1.939 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.800 -12.708 3.228 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.134 -11.652 2.807 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.343 -14.278 1.559 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.943 -13.587 1.745 1.00 0.00 H new ATOM 1452 N LYS A 91 -4.058 -9.935 -1.332 1.00 0.00 N ATOM 1453 CA LYS A 91 -3.363 -9.615 -2.552 1.00 0.00 C ATOM 1454 C LYS A 91 -2.024 -8.987 -2.254 1.00 0.00 C ATOM 1455 O LYS A 91 -1.943 -8.020 -1.499 1.00 0.00 O ATOM 1456 CB LYS A 91 -4.175 -8.658 -3.404 1.00 0.00 C ATOM 1457 CG LYS A 91 -3.551 -8.418 -4.757 1.00 0.00 C ATOM 1458 CD LYS A 91 -3.581 -9.677 -5.597 1.00 0.00 C ATOM 1459 CE LYS A 91 -5.000 -10.112 -5.920 1.00 0.00 C ATOM 1460 NZ LYS A 91 -5.017 -11.258 -6.865 1.00 0.00 N ATOM 0 H LYS A 91 -4.427 -9.130 -0.826 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.216 -10.547 -3.098 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.180 -9.058 -3.537 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.277 -7.707 -2.881 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.086 -7.620 -5.272 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.521 -8.083 -4.633 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.034 -9.507 -6.524 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.068 -10.479 -5.066 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.515 -10.390 -5.000 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.549 -9.275 -6.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.001 -11.529 -7.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.547 -10.984 -7.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.514 -12.064 -6.442 1.00 0.00 H new ATOM 1474 N ILE A 92 -0.982 -9.538 -2.837 1.00 0.00 N ATOM 1475 CA ILE A 92 0.342 -8.965 -2.713 1.00 0.00 C ATOM 1476 C ILE A 92 0.800 -8.410 -4.048 1.00 0.00 C ATOM 1477 O ILE A 92 0.707 -9.078 -5.078 1.00 0.00 O ATOM 1478 CB ILE A 92 1.399 -9.983 -2.223 1.00 0.00 C ATOM 1479 CG1 ILE A 92 1.060 -10.514 -0.825 1.00 0.00 C ATOM 1480 CG2 ILE A 92 2.787 -9.352 -2.224 1.00 0.00 C ATOM 1481 CD1 ILE A 92 0.070 -11.658 -0.811 1.00 0.00 C ATOM 0 H ILE A 92 -1.026 -10.385 -3.404 1.00 0.00 H new ATOM 0 HA ILE A 92 0.261 -8.175 -1.967 1.00 0.00 H new ATOM 0 HB ILE A 92 1.392 -10.826 -2.914 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.980 -10.841 -0.341 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.659 -9.696 -0.227 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.519 -10.082 -1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.042 -9.036 -3.235 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.794 -8.487 -1.561 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.111 -11.970 0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.868 -11.333 -1.262 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.475 -12.496 -1.378 1.00 0.00 H new ATOM 1493 N VAL A 93 1.258 -7.179 -4.021 1.00 0.00 N ATOM 1494 CA VAL A 93 1.927 -6.577 -5.153 1.00 0.00 C ATOM 1495 C VAL A 93 3.253 -6.010 -4.684 1.00 0.00 C ATOM 1496 O VAL A 93 3.307 -5.266 -3.703 1.00 0.00 O ATOM 1497 CB VAL A 93 1.079 -5.470 -5.817 1.00 0.00 C ATOM 1498 CG1 VAL A 93 1.853 -4.790 -6.938 1.00 0.00 C ATOM 1499 CG2 VAL A 93 -0.218 -6.051 -6.351 1.00 0.00 C ATOM 0 H VAL A 93 1.177 -6.565 -3.211 1.00 0.00 H new ATOM 0 HA VAL A 93 2.084 -7.347 -5.909 1.00 0.00 H new ATOM 0 HB VAL A 93 0.846 -4.720 -5.061 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.234 -4.015 -7.389 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.760 -4.341 -6.533 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.120 -5.527 -7.695 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.806 -5.260 -6.816 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.005 -6.820 -7.090 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.785 -6.490 -5.530 1.00 0.00 H new ATOM 1509 N LYS A 94 4.317 -6.381 -5.365 1.00 0.00 N ATOM 1510 CA LYS A 94 5.638 -5.994 -4.945 1.00 0.00 C ATOM 1511 C LYS A 94 5.960 -4.606 -5.484 1.00 0.00 C ATOM 1512 O LYS A 94 5.561 -4.252 -6.599 1.00 0.00 O ATOM 1513 CB LYS A 94 6.655 -7.045 -5.394 1.00 0.00 C ATOM 1514 CG LYS A 94 7.596 -6.607 -6.489 1.00 0.00 C ATOM 1515 CD LYS A 94 8.794 -7.526 -6.505 1.00 0.00 C ATOM 1516 CE LYS A 94 10.023 -6.869 -7.098 1.00 0.00 C ATOM 1517 NZ LYS A 94 10.067 -5.401 -6.857 1.00 0.00 N ATOM 0 H LYS A 94 4.288 -6.950 -6.211 1.00 0.00 H new ATOM 0 HA LYS A 94 5.686 -5.942 -3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.246 -7.347 -4.529 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.114 -7.928 -5.734 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.089 -6.633 -7.454 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.913 -5.578 -6.323 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.014 -7.848 -5.487 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.553 -8.422 -7.078 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.915 -7.329 -6.674 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.047 -7.057 -8.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.021 -5.043 -7.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.376 -4.927 -7.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.835 -5.205 -5.862 1.00 0.00 H new ATOM 1531 N TRP A 95 6.654 -3.818 -4.681 1.00 0.00 N ATOM 1532 CA TRP A 95 6.952 -2.443 -5.029 1.00 0.00 C ATOM 1533 C TRP A 95 8.040 -2.390 -6.091 1.00 0.00 C ATOM 1534 O TRP A 95 9.089 -3.011 -5.949 1.00 0.00 O ATOM 1535 CB TRP A 95 7.391 -1.664 -3.779 1.00 0.00 C ATOM 1536 CG TRP A 95 7.782 -0.257 -4.076 1.00 0.00 C ATOM 1537 CD1 TRP A 95 6.956 0.760 -4.438 1.00 0.00 C ATOM 1538 CD2 TRP A 95 9.101 0.288 -4.034 1.00 0.00 C ATOM 1539 NE1 TRP A 95 7.677 1.905 -4.635 1.00 0.00 N ATOM 1540 CE2 TRP A 95 8.998 1.644 -4.388 1.00 0.00 C ATOM 1541 CE3 TRP A 95 10.359 -0.239 -3.732 1.00 0.00 C ATOM 1542 CZ2 TRP A 95 10.103 2.479 -4.448 1.00 0.00 C ATOM 1543 CZ3 TRP A 95 11.459 0.591 -3.792 1.00 0.00 C ATOM 1544 CH2 TRP A 95 11.322 1.942 -4.147 1.00 0.00 C ATOM 0 H TRP A 95 7.023 -4.112 -3.777 1.00 0.00 H new ATOM 0 HA TRP A 95 6.050 -1.982 -5.432 1.00 0.00 H new ATOM 0 HB2 TRP A 95 6.577 -1.664 -3.054 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.232 -2.178 -3.314 1.00 0.00 H new ATOM 0 HD1 TRP A 95 5.885 0.676 -4.553 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.293 2.806 -4.919 1.00 0.00 H new ATOM 0 HE3 TRP A 95 10.468 -1.278 -3.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 10.003 3.519 -4.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 12.438 0.196 -3.563 1.00 0.00 H new ATOM 0 HH2 TRP A 95 12.200 2.570 -4.183 1.00 0.00 H new