USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 935 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 112 GLN : amide:sc= -1.74 K(o=-8.5,f=-10!) USER MOD Set 1.2: A 120 TYR OH : rot -59:sc= -6.8! USER MOD Set 2.1: A 97 THR OG1 : rot 180:sc= 0.0445 USER MOD Set 2.2: A 100 SER OG : rot 102:sc= 0.0441 USER MOD Set 3.1: A 14 ASN : amide:sc= -0.476 X(o=-0.85,f=-0.41) USER MOD Set 3.2: A 88 LYS NZ :NH3+ -178:sc= -0.37 (180deg=0) USER MOD Set 4.1: A 74 HIS : no HE2:sc= -0.931 K(o=0.46,f=-1.2!) USER MOD Set 4.2: A 76 SER OG : rot -143:sc= 1.39 USER MOD Set 5.1: A 7 HIS : no HD1:sc= -2.5! C(o=-0.3!,f=-2.9!) USER MOD Set 5.2: A 9 GLN : amide:sc= 0.964 K(o=-0.3,f=-5!) USER MOD Set 5.3: A 10 THR OG1 : rot 101:sc= 1.24 USER MOD Single : A 15 SER OG : rot 140:sc= -1.33 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -80:sc= -3.43! USER MOD Single : A 30 ASN :FLIP amide:sc= 0.0236 F(o=-1.8!,f=0.024) USER MOD Single : A 31 GLN : amide:sc=-0.000265 X(o=-0.00026,f=0) USER MOD Single : A 32 THR OG1 : rot 32:sc= 0.0633 USER MOD Single : A 33 THR OG1 : rot 100:sc= -2.48! USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -3.7 K(o=-3.7,f=-7.6!) USER MOD Single : A 38 TYR OH : rot 91:sc= 1.09 USER MOD Single : A 41 LYS NZ :NH3+ -147:sc= -0.4 (180deg=-1.62!) USER MOD Single : A 42 MET CE :methyl -133:sc= -13.9! (180deg=-17.1!) USER MOD Single : A 43 THR OG1 : rot 14:sc= -5.47! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 159:sc= -1.08 (180deg=-3.35!) USER MOD Single : A 46 TYR OH : rot 133:sc= 1.24 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 150:sc= -0.656 USER MOD Single : A 63 THR OG1 : rot -150:sc= -3.74! USER MOD Single : A 66 MET CE :methyl -167:sc= 0 (180deg=-0.133) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 180:sc= 0.158 USER MOD Single : A 72 TYR OH : rot 147:sc= -1.91! USER MOD Single : A 77 HIS : no HD1:sc= -0.0348 X(o=-0.035,f=-0.021) USER MOD Single : A 78 ASN :FLIP amide:sc= -2.08! C(o=-5.9!,f=-2.1!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0511 X(o=-0.051,f=-0.49) USER MOD Single : A 95 HIS :FLIP no HD1:sc= -4.74! C(o=-6.3!,f=-4.7!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 67:sc= 0.333 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 121:sc= -12.2! USER MOD Single : A 121 THR OG1 : rot 180:sc= -3.07! USER MOD ----------------------------------------------------------------- ATOM 27 N CYS A 3 -4.421 14.386 1.404 1.00 0.00 N ATOM 28 CA CYS A 3 -3.276 15.286 1.485 1.00 0.00 C ATOM 29 C CYS A 3 -2.188 14.869 0.493 1.00 0.00 C ATOM 30 O CYS A 3 -2.372 13.934 -0.286 1.00 0.00 O ATOM 31 CB CYS A 3 -2.717 15.272 2.911 1.00 0.00 C ATOM 32 SG CYS A 3 -2.161 13.645 3.468 1.00 0.00 S ATOM 0 HA CYS A 3 -3.602 16.294 1.230 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.881 15.970 2.969 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.484 15.636 3.594 1.00 0.00 H new ATOM 37 N VAL A 4 -1.052 15.562 0.532 1.00 0.00 N ATOM 38 CA VAL A 4 0.066 15.256 -0.357 1.00 0.00 C ATOM 39 C VAL A 4 1.020 14.256 0.306 1.00 0.00 C ATOM 40 O VAL A 4 0.936 14.022 1.511 1.00 0.00 O ATOM 41 CB VAL A 4 0.822 16.546 -0.758 1.00 0.00 C ATOM 42 CG1 VAL A 4 -0.157 17.604 -1.241 1.00 0.00 C ATOM 43 CG2 VAL A 4 1.658 17.071 0.398 1.00 0.00 C ATOM 0 H VAL A 4 -0.882 16.339 1.170 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.335 14.803 -1.264 1.00 0.00 H new ATOM 0 HB VAL A 4 1.501 16.304 -1.576 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.389 18.505 -1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.701 17.228 -2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.862 17.839 -0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.178 17.977 0.089 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.009 17.296 1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.388 16.316 0.692 1.00 0.00 H new ATOM 53 N PRO A 5 1.924 13.633 -0.476 1.00 0.00 N ATOM 54 CA PRO A 5 2.874 12.637 0.027 1.00 0.00 C ATOM 55 C PRO A 5 3.379 12.906 1.452 1.00 0.00 C ATOM 56 O PRO A 5 4.155 13.834 1.681 1.00 0.00 O ATOM 57 CB PRO A 5 4.009 12.749 -0.982 1.00 0.00 C ATOM 58 CG PRO A 5 3.315 13.019 -2.272 1.00 0.00 C ATOM 59 CD PRO A 5 2.083 13.828 -1.932 1.00 0.00 C ATOM 0 HA PRO A 5 2.421 11.649 0.110 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.697 13.554 -0.722 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.595 11.831 -1.028 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.964 13.568 -2.955 1.00 0.00 H new ATOM 0 HG3 PRO A 5 3.043 12.088 -2.769 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.214 14.881 -2.183 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.209 13.476 -2.481 1.00 0.00 H new ATOM 67 N PRO A 6 2.952 12.069 2.423 1.00 0.00 N ATOM 68 CA PRO A 6 3.354 12.171 3.822 1.00 0.00 C ATOM 69 C PRO A 6 4.594 11.356 4.103 1.00 0.00 C ATOM 70 O PRO A 6 4.666 10.174 3.767 1.00 0.00 O ATOM 71 CB PRO A 6 2.148 11.598 4.576 1.00 0.00 C ATOM 72 CG PRO A 6 1.321 10.862 3.559 1.00 0.00 C ATOM 73 CD PRO A 6 2.048 10.933 2.239 1.00 0.00 C ATOM 0 HA PRO A 6 3.604 13.191 4.114 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.471 10.928 5.372 1.00 0.00 H new ATOM 0 HB3 PRO A 6 1.569 12.394 5.045 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.177 9.825 3.861 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.331 11.310 3.475 1.00 0.00 H new ATOM 0 HD2 PRO A 6 2.593 10.013 2.028 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.361 11.094 1.408 1.00 0.00 H new ATOM 81 N HIS A 7 5.581 12.016 4.698 1.00 0.00 N ATOM 82 CA HIS A 7 6.861 11.411 5.020 1.00 0.00 C ATOM 83 C HIS A 7 6.787 9.908 5.289 1.00 0.00 C ATOM 84 O HIS A 7 5.988 9.436 6.097 1.00 0.00 O ATOM 85 CB HIS A 7 7.472 12.119 6.237 1.00 0.00 C ATOM 86 CG HIS A 7 6.455 12.695 7.179 1.00 0.00 C ATOM 87 ND1 HIS A 7 5.345 11.998 7.604 1.00 0.00 N ATOM 88 CD2 HIS A 7 6.389 13.907 7.785 1.00 0.00 C ATOM 89 CE1 HIS A 7 4.641 12.751 8.431 1.00 0.00 C ATOM 90 NE2 HIS A 7 5.251 13.914 8.557 1.00 0.00 N ATOM 0 H HIS A 7 5.511 12.996 4.972 1.00 0.00 H new ATOM 0 HA HIS A 7 7.489 11.535 4.138 1.00 0.00 H new ATOM 0 HB2 HIS A 7 8.097 11.411 6.781 1.00 0.00 H new ATOM 0 HB3 HIS A 7 8.125 12.919 5.889 1.00 0.00 H new ATOM 0 HD2 HIS A 7 7.098 14.715 7.681 1.00 0.00 H new ATOM 0 HE1 HIS A 7 3.722 12.463 8.921 1.00 0.00 H new ATOM 0 HE2 HIS A 7 4.931 14.692 9.133 1.00 0.00 H new ATOM 99 N PRO A 8 7.688 9.158 4.631 1.00 0.00 N ATOM 100 CA PRO A 8 7.833 7.702 4.788 1.00 0.00 C ATOM 101 C PRO A 8 8.385 7.356 6.149 1.00 0.00 C ATOM 102 O PRO A 8 8.409 6.200 6.563 1.00 0.00 O ATOM 103 CB PRO A 8 8.864 7.353 3.731 1.00 0.00 C ATOM 104 CG PRO A 8 9.694 8.576 3.700 1.00 0.00 C ATOM 105 CD PRO A 8 8.701 9.689 3.716 1.00 0.00 C ATOM 0 HA PRO A 8 6.886 7.172 4.689 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.445 6.472 4.002 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.404 7.147 2.764 1.00 0.00 H new ATOM 0 HG2 PRO A 8 10.363 8.626 4.559 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.319 8.612 2.807 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.134 10.621 4.079 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.294 9.891 2.725 1.00 0.00 H new ATOM 113 N GLN A 9 8.799 8.389 6.848 1.00 0.00 N ATOM 114 CA GLN A 9 9.321 8.235 8.169 1.00 0.00 C ATOM 115 C GLN A 9 8.196 7.858 9.069 1.00 0.00 C ATOM 116 O GLN A 9 8.310 6.954 9.897 1.00 0.00 O ATOM 117 CB GLN A 9 9.973 9.554 8.620 1.00 0.00 C ATOM 118 CG GLN A 9 9.410 10.171 9.900 1.00 0.00 C ATOM 119 CD GLN A 9 8.638 11.444 9.626 1.00 0.00 C ATOM 120 OE1 GLN A 9 7.424 11.505 9.823 1.00 0.00 O ATOM 121 NE2 GLN A 9 9.342 12.469 9.162 1.00 0.00 N ATOM 0 H GLN A 9 8.780 9.351 6.511 1.00 0.00 H new ATOM 0 HA GLN A 9 10.083 7.457 8.199 1.00 0.00 H new ATOM 0 HB2 GLN A 9 11.040 9.380 8.762 1.00 0.00 H new ATOM 0 HB3 GLN A 9 9.873 10.281 7.814 1.00 0.00 H new ATOM 0 HG2 GLN A 9 8.757 9.450 10.393 1.00 0.00 H new ATOM 0 HG3 GLN A 9 10.227 10.384 10.589 1.00 0.00 H new ATOM 0 HE21 GLN A 9 10.347 12.372 9.014 1.00 0.00 H new ATOM 0 HE22 GLN A 9 8.878 13.353 8.953 1.00 0.00 H new ATOM 130 N THR A 10 7.079 8.512 8.854 1.00 0.00 N ATOM 131 CA THR A 10 5.877 8.242 9.566 1.00 0.00 C ATOM 132 C THR A 10 5.101 7.162 8.830 1.00 0.00 C ATOM 133 O THR A 10 4.628 6.210 9.444 1.00 0.00 O ATOM 134 CB THR A 10 5.079 9.558 9.651 1.00 0.00 C ATOM 135 OG1 THR A 10 5.351 10.241 10.857 1.00 0.00 O ATOM 136 CG2 THR A 10 3.571 9.445 9.487 1.00 0.00 C ATOM 0 H THR A 10 6.991 9.258 8.164 1.00 0.00 H new ATOM 0 HA THR A 10 6.076 7.881 10.575 1.00 0.00 H new ATOM 0 HB THR A 10 5.432 10.116 8.784 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.990 10.964 10.687 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.121 10.435 9.566 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.342 9.019 8.510 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.167 8.800 10.267 1.00 0.00 H new ATOM 144 N ALA A 11 4.972 7.294 7.503 1.00 0.00 N ATOM 145 CA ALA A 11 4.256 6.319 6.697 1.00 0.00 C ATOM 146 C ALA A 11 4.802 4.915 6.868 1.00 0.00 C ATOM 147 O ALA A 11 4.032 3.970 6.996 1.00 0.00 O ATOM 148 CB ALA A 11 4.310 6.703 5.238 1.00 0.00 C ATOM 0 H ALA A 11 5.359 8.073 6.971 1.00 0.00 H new ATOM 0 HA ALA A 11 3.223 6.320 7.045 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.770 5.964 4.647 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.851 7.682 5.102 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.349 6.741 4.910 1.00 0.00 H new ATOM 154 N PHE A 12 6.125 4.761 6.877 1.00 0.00 N ATOM 155 CA PHE A 12 6.690 3.432 7.046 1.00 0.00 C ATOM 156 C PHE A 12 6.388 2.918 8.432 1.00 0.00 C ATOM 157 O PHE A 12 5.740 1.886 8.606 1.00 0.00 O ATOM 158 CB PHE A 12 8.199 3.394 6.797 1.00 0.00 C ATOM 159 CG PHE A 12 8.648 2.068 6.228 1.00 0.00 C ATOM 160 CD1 PHE A 12 8.906 0.976 7.057 1.00 0.00 C ATOM 161 CD2 PHE A 12 8.795 1.904 4.859 1.00 0.00 C ATOM 162 CE1 PHE A 12 9.302 -0.238 6.525 1.00 0.00 C ATOM 163 CE2 PHE A 12 9.189 0.687 4.331 1.00 0.00 C ATOM 164 CZ PHE A 12 9.442 -0.382 5.162 1.00 0.00 C ATOM 0 H PHE A 12 6.803 5.515 6.773 1.00 0.00 H new ATOM 0 HA PHE A 12 6.225 2.790 6.298 1.00 0.00 H new ATOM 0 HB2 PHE A 12 8.473 4.194 6.110 1.00 0.00 H new ATOM 0 HB3 PHE A 12 8.725 3.583 7.733 1.00 0.00 H new ATOM 0 HD1 PHE A 12 8.795 1.080 8.126 1.00 0.00 H new ATOM 0 HD2 PHE A 12 8.600 2.735 4.198 1.00 0.00 H new ATOM 0 HE1 PHE A 12 9.502 -1.074 7.179 1.00 0.00 H new ATOM 0 HE2 PHE A 12 9.299 0.575 3.262 1.00 0.00 H new ATOM 0 HZ PHE A 12 9.749 -1.330 4.746 1.00 0.00 H new ATOM 174 N CYS A 13 6.960 3.599 9.420 1.00 0.00 N ATOM 175 CA CYS A 13 6.870 3.188 10.800 1.00 0.00 C ATOM 176 C CYS A 13 5.477 3.108 11.374 1.00 0.00 C ATOM 177 O CYS A 13 5.190 2.195 12.150 1.00 0.00 O ATOM 178 CB CYS A 13 7.705 4.122 11.676 1.00 0.00 C ATOM 179 SG CYS A 13 9.366 3.488 12.064 1.00 0.00 S ATOM 0 H CYS A 13 7.499 4.453 9.276 1.00 0.00 H new ATOM 0 HA CYS A 13 7.251 2.167 10.804 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.803 5.084 11.173 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.170 4.303 12.608 1.00 0.00 H new ATOM 184 N ASN A 14 4.576 4.009 10.984 1.00 0.00 N ATOM 185 CA ASN A 14 3.221 3.930 11.472 1.00 0.00 C ATOM 186 C ASN A 14 2.538 2.724 10.843 1.00 0.00 C ATOM 187 O ASN A 14 1.870 1.956 11.535 1.00 0.00 O ATOM 188 CB ASN A 14 2.453 5.212 11.096 1.00 0.00 C ATOM 189 CG ASN A 14 1.685 5.824 12.252 1.00 0.00 C ATOM 190 OD1 ASN A 14 2.145 5.823 13.392 1.00 0.00 O ATOM 191 ND2 ASN A 14 0.505 6.365 11.953 1.00 0.00 N ATOM 0 H ASN A 14 4.764 4.782 10.345 1.00 0.00 H new ATOM 0 HA ASN A 14 3.229 3.827 12.557 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.159 5.948 10.710 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.757 4.984 10.289 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.056 6.801 12.685 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.163 6.343 10.992 1.00 0.00 H new ATOM 198 N SER A 15 2.696 2.555 9.518 1.00 0.00 N ATOM 199 CA SER A 15 2.106 1.466 8.784 1.00 0.00 C ATOM 200 C SER A 15 2.625 0.118 9.213 1.00 0.00 C ATOM 201 O SER A 15 3.815 -0.123 9.410 1.00 0.00 O ATOM 202 CB SER A 15 2.356 1.605 7.303 1.00 0.00 C ATOM 203 OG SER A 15 1.198 2.043 6.618 1.00 0.00 O ATOM 0 H SER A 15 3.246 3.188 8.938 1.00 0.00 H new ATOM 0 HA SER A 15 1.039 1.519 9.001 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.168 2.313 7.135 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.679 0.647 6.896 1.00 0.00 H new ATOM 0 HG SER A 15 1.451 2.693 5.930 1.00 0.00 H new ATOM 209 N ASP A 16 1.657 -0.715 9.357 1.00 0.00 N ATOM 210 CA ASP A 16 1.799 -2.092 9.780 1.00 0.00 C ATOM 211 C ASP A 16 1.906 -3.069 8.606 1.00 0.00 C ATOM 212 O ASP A 16 2.007 -4.282 8.791 1.00 0.00 O ATOM 213 CB ASP A 16 0.558 -2.438 10.582 1.00 0.00 C ATOM 214 CG ASP A 16 0.539 -1.822 11.966 1.00 0.00 C ATOM 215 OD1 ASP A 16 1.497 -2.046 12.733 1.00 0.00 O ATOM 216 OD2 ASP A 16 -0.443 -1.115 12.281 1.00 0.00 O ATOM 0 H ASP A 16 0.687 -0.456 9.177 1.00 0.00 H new ATOM 0 HA ASP A 16 2.719 -2.185 10.357 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.323 -2.106 10.033 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.486 -3.522 10.675 1.00 0.00 H new ATOM 221 N LEU A 17 2.172 -2.480 7.450 1.00 0.00 N ATOM 222 CA LEU A 17 2.607 -3.262 6.293 1.00 0.00 C ATOM 223 C LEU A 17 3.071 -2.397 5.157 1.00 0.00 C ATOM 224 O LEU A 17 2.438 -1.420 4.790 1.00 0.00 O ATOM 225 CB LEU A 17 1.699 -4.347 5.747 1.00 0.00 C ATOM 226 CG LEU A 17 0.351 -4.588 6.368 1.00 0.00 C ATOM 227 CD1 LEU A 17 -0.733 -4.002 5.481 1.00 0.00 C ATOM 228 CD2 LEU A 17 0.189 -6.091 6.510 1.00 0.00 C ATOM 0 H LEU A 17 2.097 -1.476 7.284 1.00 0.00 H new ATOM 0 HA LEU A 17 3.428 -3.815 6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.535 -4.130 4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.251 -5.286 5.797 1.00 0.00 H new ATOM 0 HG LEU A 17 0.269 -4.109 7.344 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.709 -4.178 5.934 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.573 -2.930 5.371 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.697 -4.477 4.501 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.780 -6.312 6.958 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.249 -6.558 5.527 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.982 -6.484 7.147 1.00 0.00 H new ATOM 240 N VAL A 18 4.194 -2.798 4.600 1.00 0.00 N ATOM 241 CA VAL A 18 4.789 -2.111 3.490 1.00 0.00 C ATOM 242 C VAL A 18 5.309 -3.132 2.529 1.00 0.00 C ATOM 243 O VAL A 18 5.858 -4.145 2.943 1.00 0.00 O ATOM 244 CB VAL A 18 6.003 -1.255 3.908 1.00 0.00 C ATOM 245 CG1 VAL A 18 6.360 -0.269 2.805 1.00 0.00 C ATOM 246 CG2 VAL A 18 5.754 -0.527 5.223 1.00 0.00 C ATOM 0 H VAL A 18 4.718 -3.616 4.912 1.00 0.00 H new ATOM 0 HA VAL A 18 4.023 -1.465 3.062 1.00 0.00 H new ATOM 0 HB VAL A 18 6.846 -1.928 4.064 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.218 0.328 3.114 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.607 -0.815 1.895 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.511 0.388 2.615 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.632 0.065 5.483 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.891 0.131 5.117 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.561 -1.255 6.011 1.00 0.00 H new ATOM 256 N ILE A 19 4.983 -2.972 1.269 1.00 0.00 N ATOM 257 CA ILE A 19 5.263 -3.983 0.284 1.00 0.00 C ATOM 258 C ILE A 19 5.538 -3.370 -1.059 1.00 0.00 C ATOM 259 O ILE A 19 5.590 -2.154 -1.205 1.00 0.00 O ATOM 260 CB ILE A 19 4.029 -4.895 0.124 1.00 0.00 C ATOM 261 CG1 ILE A 19 2.804 -4.054 -0.239 1.00 0.00 C ATOM 262 CG2 ILE A 19 3.757 -5.687 1.382 1.00 0.00 C ATOM 263 CD1 ILE A 19 1.866 -4.729 -1.211 1.00 0.00 C ATOM 0 H ILE A 19 4.519 -2.142 0.901 1.00 0.00 H new ATOM 0 HA ILE A 19 6.136 -4.542 0.621 1.00 0.00 H new ATOM 0 HB ILE A 19 4.237 -5.603 -0.678 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.257 -3.815 0.673 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.138 -3.109 -0.668 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.881 -6.318 1.232 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.620 -6.312 1.612 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.574 -5.003 2.210 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.022 -4.071 -1.419 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.396 -4.944 -2.139 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.501 -5.660 -0.778 1.00 0.00 H new ATOM 275 N ARG A 20 5.574 -4.219 -2.061 1.00 0.00 N ATOM 276 CA ARG A 20 5.682 -3.790 -3.427 1.00 0.00 C ATOM 277 C ARG A 20 4.691 -4.673 -4.220 1.00 0.00 C ATOM 278 O ARG A 20 4.691 -5.895 -4.090 1.00 0.00 O ATOM 279 CB ARG A 20 7.122 -3.876 -3.948 1.00 0.00 C ATOM 280 CG ARG A 20 7.513 -5.233 -4.483 1.00 0.00 C ATOM 281 CD ARG A 20 8.903 -5.208 -5.092 1.00 0.00 C ATOM 282 NE ARG A 20 8.940 -5.914 -6.370 1.00 0.00 N ATOM 283 CZ ARG A 20 9.694 -6.981 -6.612 1.00 0.00 C ATOM 284 NH1 ARG A 20 10.495 -7.470 -5.676 1.00 0.00 N ATOM 285 NH2 ARG A 20 9.644 -7.567 -7.800 1.00 0.00 N ATOM 0 H ARG A 20 5.529 -5.231 -1.945 1.00 0.00 H new ATOM 0 HA ARG A 20 5.428 -2.736 -3.539 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.254 -3.136 -4.737 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.804 -3.607 -3.141 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.480 -5.967 -3.678 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.790 -5.552 -5.234 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.220 -4.175 -5.236 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.612 -5.665 -4.402 1.00 0.00 H new ATOM 0 HE ARG A 20 8.349 -5.566 -7.125 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.537 -7.027 -4.758 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.069 -8.290 -5.873 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.028 -7.199 -8.525 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.221 -8.386 -7.989 1.00 0.00 H new ATOM 299 N ALA A 21 3.823 -4.024 -4.977 1.00 0.00 N ATOM 300 CA ALA A 21 2.784 -4.743 -5.744 1.00 0.00 C ATOM 301 C ALA A 21 2.312 -3.966 -6.953 1.00 0.00 C ATOM 302 O ALA A 21 2.512 -2.775 -7.099 1.00 0.00 O ATOM 303 CB ALA A 21 1.609 -5.092 -4.841 1.00 0.00 C ATOM 0 H ALA A 21 3.805 -3.010 -5.086 1.00 0.00 H new ATOM 0 HA ALA A 21 3.238 -5.661 -6.117 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.851 -5.621 -5.418 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.953 -5.728 -4.025 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.180 -4.177 -4.432 1.00 0.00 H new ATOM 309 N LYS A 22 1.576 -4.729 -7.772 1.00 0.00 N ATOM 310 CA LYS A 22 0.905 -4.256 -8.979 1.00 0.00 C ATOM 311 C LYS A 22 -0.618 -4.296 -8.786 1.00 0.00 C ATOM 312 O LYS A 22 -1.124 -5.128 -8.040 1.00 0.00 O ATOM 313 CB LYS A 22 1.286 -5.153 -10.160 1.00 0.00 C ATOM 314 CG LYS A 22 2.448 -4.640 -10.990 1.00 0.00 C ATOM 315 CD LYS A 22 3.412 -5.758 -11.345 1.00 0.00 C ATOM 316 CE LYS A 22 2.721 -6.839 -12.149 1.00 0.00 C ATOM 317 NZ LYS A 22 3.675 -7.854 -12.669 1.00 0.00 N ATOM 0 H LYS A 22 1.430 -5.724 -7.603 1.00 0.00 H new ATOM 0 HA LYS A 22 1.215 -3.230 -9.178 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.536 -6.144 -9.781 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.417 -5.269 -10.807 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.070 -4.180 -11.903 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.977 -3.863 -10.437 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.248 -5.354 -11.916 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.827 -6.188 -10.433 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.975 -7.331 -11.525 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.188 -6.383 -12.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.155 -8.573 -13.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.373 -7.391 -13.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.165 -8.309 -11.873 1.00 0.00 H new ATOM 331 N PHE A 23 -1.345 -3.386 -9.437 1.00 0.00 N ATOM 332 CA PHE A 23 -2.808 -3.344 -9.319 1.00 0.00 C ATOM 333 C PHE A 23 -3.455 -4.086 -10.453 1.00 0.00 C ATOM 334 O PHE A 23 -3.262 -3.776 -11.628 1.00 0.00 O ATOM 335 CB PHE A 23 -3.317 -1.903 -9.292 1.00 0.00 C ATOM 336 CG PHE A 23 -3.302 -1.268 -7.934 1.00 0.00 C ATOM 337 CD1 PHE A 23 -2.177 -0.599 -7.481 1.00 0.00 C ATOM 338 CD2 PHE A 23 -4.417 -1.329 -7.114 1.00 0.00 C ATOM 339 CE1 PHE A 23 -2.165 -0.005 -6.234 1.00 0.00 C ATOM 340 CE2 PHE A 23 -4.410 -0.736 -5.867 1.00 0.00 C ATOM 341 CZ PHE A 23 -3.283 -0.073 -5.427 1.00 0.00 C ATOM 0 H PHE A 23 -0.950 -2.671 -10.048 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.075 -3.827 -8.379 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.708 -1.302 -9.968 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.336 -1.883 -9.678 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.300 -0.541 -8.109 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.302 -1.846 -7.454 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.281 0.512 -5.891 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -5.286 -0.791 -5.237 1.00 0.00 H new ATOM 0 HZ PHE A 23 -3.275 0.392 -4.452 1.00 0.00 H new ATOM 351 N VAL A 24 -4.226 -5.078 -10.070 1.00 0.00 N ATOM 352 CA VAL A 24 -4.932 -5.917 -10.995 1.00 0.00 C ATOM 353 C VAL A 24 -6.434 -5.587 -10.969 1.00 0.00 C ATOM 354 O VAL A 24 -6.887 -4.726 -11.724 1.00 0.00 O ATOM 355 CB VAL A 24 -4.678 -7.406 -10.666 1.00 0.00 C ATOM 356 CG1 VAL A 24 -3.493 -7.940 -11.451 1.00 0.00 C ATOM 357 CG2 VAL A 24 -4.479 -7.651 -9.178 1.00 0.00 C ATOM 0 H VAL A 24 -4.379 -5.323 -9.092 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.563 -5.728 -12.003 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.576 -7.947 -10.965 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -3.335 -8.989 -11.202 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.692 -7.846 -12.519 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.601 -7.368 -11.197 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.305 -8.713 -9.004 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.620 -7.080 -8.827 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.370 -7.336 -8.635 1.00 0.00 H new ATOM 367 N GLY A 25 -7.211 -6.295 -10.153 1.00 0.00 N ATOM 368 CA GLY A 25 -8.656 -6.081 -10.113 1.00 0.00 C ATOM 369 C GLY A 25 -9.108 -4.640 -9.904 1.00 0.00 C ATOM 370 O GLY A 25 -8.295 -3.731 -9.742 1.00 0.00 O ATOM 0 H GLY A 25 -6.869 -7.015 -9.516 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.084 -6.444 -11.047 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.073 -6.692 -9.313 1.00 0.00 H new ATOM 374 N THR A 26 -10.432 -4.458 -9.919 1.00 0.00 N ATOM 375 CA THR A 26 -11.066 -3.146 -9.746 1.00 0.00 C ATOM 376 C THR A 26 -11.695 -3.009 -8.349 1.00 0.00 C ATOM 377 O THR A 26 -11.996 -4.011 -7.702 1.00 0.00 O ATOM 378 CB THR A 26 -12.133 -2.973 -10.829 1.00 0.00 C ATOM 379 OG1 THR A 26 -12.698 -1.680 -10.795 1.00 0.00 O ATOM 380 CG2 THR A 26 -13.265 -3.966 -10.710 1.00 0.00 C ATOM 0 H THR A 26 -11.098 -5.219 -10.052 1.00 0.00 H new ATOM 0 HA THR A 26 -10.308 -2.368 -9.839 1.00 0.00 H new ATOM 0 HB THR A 26 -11.608 -3.142 -11.769 1.00 0.00 H new ATOM 0 HG1 THR A 26 -13.372 -1.636 -10.085 1.00 0.00 H new ATOM 0 HG21 THR A 26 -13.988 -3.791 -11.507 1.00 0.00 H new ATOM 0 HG22 THR A 26 -12.871 -4.979 -10.794 1.00 0.00 H new ATOM 0 HG23 THR A 26 -13.754 -3.846 -9.743 1.00 0.00 H new ATOM 388 N PRO A 27 -11.878 -1.763 -7.853 1.00 0.00 N ATOM 389 CA PRO A 27 -12.444 -1.510 -6.514 1.00 0.00 C ATOM 390 C PRO A 27 -13.942 -1.806 -6.366 1.00 0.00 C ATOM 391 O PRO A 27 -14.784 -1.237 -7.062 1.00 0.00 O ATOM 392 CB PRO A 27 -12.189 -0.022 -6.299 1.00 0.00 C ATOM 393 CG PRO A 27 -12.131 0.557 -7.667 1.00 0.00 C ATOM 394 CD PRO A 27 -11.510 -0.502 -8.532 1.00 0.00 C ATOM 0 HA PRO A 27 -11.981 -2.175 -5.785 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.985 0.434 -5.710 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -11.257 0.145 -5.759 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.127 0.819 -8.024 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.537 1.471 -7.680 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.898 -0.467 -9.550 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -10.429 -0.383 -8.598 1.00 0.00 H new ATOM 402 N GLU A 28 -14.241 -2.669 -5.399 1.00 0.00 N ATOM 403 CA GLU A 28 -15.640 -2.998 -5.101 1.00 0.00 C ATOM 404 C GLU A 28 -16.211 -1.920 -4.176 1.00 0.00 C ATOM 405 O GLU A 28 -15.720 -1.740 -3.060 1.00 0.00 O ATOM 406 CB GLU A 28 -15.745 -4.374 -4.435 1.00 0.00 C ATOM 407 CG GLU A 28 -15.191 -4.406 -3.028 1.00 0.00 C ATOM 408 CD GLU A 28 -15.533 -5.685 -2.289 1.00 0.00 C ATOM 409 OE1 GLU A 28 -15.195 -6.774 -2.797 1.00 0.00 O ATOM 410 OE2 GLU A 28 -16.136 -5.595 -1.198 1.00 0.00 O ATOM 0 H GLU A 28 -13.553 -3.147 -4.817 1.00 0.00 H new ATOM 0 HA GLU A 28 -16.209 -3.032 -6.030 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -16.791 -4.679 -4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -15.213 -5.105 -5.043 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.108 -4.293 -3.067 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -15.580 -3.554 -2.470 1.00 0.00 H new ATOM 417 N VAL A 29 -17.185 -1.143 -4.647 1.00 0.00 N ATOM 418 CA VAL A 29 -17.702 -0.048 -3.826 1.00 0.00 C ATOM 419 C VAL A 29 -19.103 -0.253 -3.252 1.00 0.00 C ATOM 420 O VAL A 29 -20.086 0.052 -3.928 1.00 0.00 O ATOM 421 CB VAL A 29 -17.736 1.273 -4.616 1.00 0.00 C ATOM 422 CG1 VAL A 29 -17.786 2.465 -3.672 1.00 0.00 C ATOM 423 CG2 VAL A 29 -16.557 1.392 -5.575 1.00 0.00 C ATOM 0 H VAL A 29 -17.621 -1.244 -5.563 1.00 0.00 H new ATOM 0 HA VAL A 29 -17.002 -0.019 -2.991 1.00 0.00 H new ATOM 0 HB VAL A 29 -18.645 1.269 -5.217 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -17.809 3.388 -4.252 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -18.681 2.402 -3.054 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -16.903 2.460 -3.033 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -16.619 2.338 -6.112 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -15.625 1.355 -5.012 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -16.583 0.568 -6.288 1.00 0.00 H new ATOM 433 N ASN A 30 -19.221 -0.727 -2.016 1.00 0.00 N ATOM 434 CA ASN A 30 -20.552 -0.892 -1.439 1.00 0.00 C ATOM 435 C ASN A 30 -21.062 0.492 -1.050 1.00 0.00 C ATOM 436 O ASN A 30 -20.305 1.416 -0.747 1.00 0.00 O ATOM 437 CB ASN A 30 -20.556 -1.841 -0.247 1.00 0.00 C ATOM 438 CG ASN A 30 -21.872 -2.588 -0.127 1.00 0.00 C ATOM 439 OD1 ASN A 30 -22.696 -2.193 0.834 1.00 0.00 O flip ATOM 440 ND2 ASN A 30 -22.142 -3.514 -0.891 1.00 0.00 N flip ATOM 0 H ASN A 30 -18.444 -0.995 -1.413 1.00 0.00 H new ATOM 0 HA ASN A 30 -21.212 -1.349 -2.177 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -19.740 -2.556 -0.349 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -20.373 -1.277 0.668 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -21.479 -3.786 -1.617 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -23.029 -4.010 -0.798 1.00 0.00 H new ATOM 447 N GLN A 31 -22.383 0.559 -1.015 1.00 0.00 N ATOM 448 CA GLN A 31 -23.079 1.775 -0.604 1.00 0.00 C ATOM 449 C GLN A 31 -23.127 1.860 0.907 1.00 0.00 C ATOM 450 O GLN A 31 -23.700 2.803 1.452 1.00 0.00 O ATOM 451 CB GLN A 31 -24.482 1.821 -1.185 1.00 0.00 C ATOM 452 CG GLN A 31 -24.512 1.688 -2.692 1.00 0.00 C ATOM 453 CD GLN A 31 -24.123 2.974 -3.397 1.00 0.00 C ATOM 454 OE1 GLN A 31 -24.974 3.803 -3.717 1.00 0.00 O ATOM 455 NE2 GLN A 31 -22.828 3.148 -3.640 1.00 0.00 N ATOM 0 H GLN A 31 -22.999 -0.214 -1.266 1.00 0.00 H new ATOM 0 HA GLN A 31 -22.528 2.634 -0.988 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -25.076 1.020 -0.745 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -24.954 2.761 -0.901 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -23.834 0.891 -2.997 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -25.513 1.393 -3.008 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -22.156 2.435 -3.358 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -22.506 3.995 -4.109 1.00 0.00 H new ATOM 464 N THR A 32 -22.671 0.834 1.585 1.00 0.00 N ATOM 465 CA THR A 32 -22.820 0.749 3.018 1.00 0.00 C ATOM 466 C THR A 32 -21.626 0.066 3.646 1.00 0.00 C ATOM 467 O THR A 32 -21.725 -0.575 4.690 1.00 0.00 O ATOM 468 CB THR A 32 -24.149 -0.002 3.268 1.00 0.00 C ATOM 469 OG1 THR A 32 -25.225 0.907 3.432 1.00 0.00 O ATOM 470 CG2 THR A 32 -24.176 -0.965 4.441 1.00 0.00 C ATOM 0 H THR A 32 -22.190 0.040 1.163 1.00 0.00 H new ATOM 0 HA THR A 32 -22.858 1.734 3.484 1.00 0.00 H new ATOM 0 HB THR A 32 -24.251 -0.610 2.369 1.00 0.00 H new ATOM 0 HG1 THR A 32 -25.061 1.709 2.893 1.00 0.00 H new ATOM 0 HG21 THR A 32 -25.161 -1.427 4.510 1.00 0.00 H new ATOM 0 HG22 THR A 32 -23.422 -1.738 4.294 1.00 0.00 H new ATOM 0 HG23 THR A 32 -23.965 -0.422 5.362 1.00 0.00 H new ATOM 478 N THR A 33 -20.479 0.241 3.035 1.00 0.00 N ATOM 479 CA THR A 33 -19.263 -0.327 3.557 1.00 0.00 C ATOM 480 C THR A 33 -18.551 0.722 4.312 1.00 0.00 C ATOM 481 O THR A 33 -17.967 0.446 5.357 1.00 0.00 O ATOM 482 CB THR A 33 -18.301 -0.759 2.455 1.00 0.00 C ATOM 483 OG1 THR A 33 -16.978 -0.447 2.823 1.00 0.00 O ATOM 484 CG2 THR A 33 -18.559 -0.126 1.086 1.00 0.00 C ATOM 0 H THR A 33 -20.364 0.774 2.173 1.00 0.00 H new ATOM 0 HA THR A 33 -19.545 -1.191 4.159 1.00 0.00 H new ATOM 0 HB THR A 33 -18.465 -1.832 2.351 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.533 -1.253 3.158 1.00 0.00 H new ATOM 0 HG21 THR A 33 -17.824 -0.495 0.370 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.561 -0.389 0.746 1.00 0.00 H new ATOM 0 HG23 THR A 33 -18.476 0.958 1.165 1.00 0.00 H new ATOM 492 N LEU A 34 -18.403 1.865 3.662 1.00 0.00 N ATOM 493 CA LEU A 34 -17.520 2.891 4.184 1.00 0.00 C ATOM 494 C LEU A 34 -16.128 2.704 3.623 1.00 0.00 C ATOM 495 O LEU A 34 -15.299 3.590 3.750 1.00 0.00 O ATOM 496 CB LEU A 34 -17.437 2.920 5.698 1.00 0.00 C ATOM 497 CG LEU A 34 -18.316 3.950 6.365 1.00 0.00 C ATOM 498 CD1 LEU A 34 -18.194 3.838 7.877 1.00 0.00 C ATOM 499 CD2 LEU A 34 -17.902 5.334 5.873 1.00 0.00 C ATOM 0 H LEU A 34 -18.874 2.102 2.789 1.00 0.00 H new ATOM 0 HA LEU A 34 -17.950 3.842 3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -17.703 1.935 6.080 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -16.402 3.105 5.987 1.00 0.00 H new ATOM 0 HG LEU A 34 -19.362 3.781 6.108 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -18.832 4.585 8.350 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.505 2.843 8.194 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -17.158 4.006 8.172 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.528 6.091 6.346 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -16.858 5.514 6.130 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -18.024 5.387 4.791 1.00 0.00 H new ATOM 511 N TYR A 35 -15.903 1.545 3.001 1.00 0.00 N ATOM 512 CA TYR A 35 -14.625 1.202 2.356 1.00 0.00 C ATOM 513 C TYR A 35 -14.832 0.406 1.084 1.00 0.00 C ATOM 514 O TYR A 35 -15.940 0.001 0.754 1.00 0.00 O ATOM 515 CB TYR A 35 -13.643 0.499 3.281 1.00 0.00 C ATOM 516 CG TYR A 35 -14.249 -0.376 4.317 1.00 0.00 C ATOM 517 CD1 TYR A 35 -14.715 -1.640 4.021 1.00 0.00 C ATOM 518 CD2 TYR A 35 -14.333 0.082 5.612 1.00 0.00 C ATOM 519 CE1 TYR A 35 -15.263 -2.433 5.008 1.00 0.00 C ATOM 520 CE2 TYR A 35 -14.871 -0.688 6.601 1.00 0.00 C ATOM 521 CZ TYR A 35 -15.339 -1.951 6.301 1.00 0.00 C ATOM 522 OH TYR A 35 -15.885 -2.733 7.290 1.00 0.00 O ATOM 0 H TYR A 35 -16.606 0.809 2.928 1.00 0.00 H new ATOM 0 HA TYR A 35 -14.170 2.157 2.095 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -12.967 -0.103 2.674 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -13.036 1.255 3.779 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -14.650 -2.012 3.009 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -13.966 1.070 5.850 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -15.629 -3.421 4.772 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -14.930 -0.312 7.612 1.00 0.00 H new ATOM 0 HH TYR A 35 -15.862 -2.247 8.141 1.00 0.00 H new ATOM 532 N GLN A 36 -13.761 0.226 0.348 1.00 0.00 N ATOM 533 CA GLN A 36 -13.821 -0.476 -0.913 1.00 0.00 C ATOM 534 C GLN A 36 -12.739 -1.547 -0.967 1.00 0.00 C ATOM 535 O GLN A 36 -11.911 -1.624 -0.063 1.00 0.00 O ATOM 536 CB GLN A 36 -13.677 0.553 -2.024 1.00 0.00 C ATOM 537 CG GLN A 36 -14.813 1.553 -2.042 1.00 0.00 C ATOM 538 CD GLN A 36 -14.451 2.860 -2.719 1.00 0.00 C ATOM 539 OE1 GLN A 36 -14.536 3.929 -2.115 1.00 0.00 O ATOM 540 NE2 GLN A 36 -14.053 2.783 -3.982 1.00 0.00 N ATOM 0 H GLN A 36 -12.831 0.558 0.603 1.00 0.00 H new ATOM 0 HA GLN A 36 -14.773 -0.993 -1.034 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -12.733 1.084 -1.903 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -13.633 0.041 -2.985 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -15.668 1.112 -2.554 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -15.125 1.757 -1.018 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.997 1.876 -4.445 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.803 3.631 -4.491 1.00 0.00 H new ATOM 549 N ARG A 37 -12.759 -2.402 -1.990 1.00 0.00 N ATOM 550 CA ARG A 37 -11.773 -3.480 -2.062 1.00 0.00 C ATOM 551 C ARG A 37 -11.153 -3.674 -3.443 1.00 0.00 C ATOM 552 O ARG A 37 -11.731 -4.315 -4.322 1.00 0.00 O ATOM 553 CB ARG A 37 -12.398 -4.791 -1.606 1.00 0.00 C ATOM 554 CG ARG A 37 -12.086 -5.149 -0.179 1.00 0.00 C ATOM 555 CD ARG A 37 -12.262 -6.636 0.059 1.00 0.00 C ATOM 556 NE ARG A 37 -13.403 -6.922 0.928 1.00 0.00 N ATOM 557 CZ ARG A 37 -13.666 -8.125 1.432 1.00 0.00 C ATOM 558 NH1 ARG A 37 -12.857 -9.146 1.184 1.00 0.00 N ATOM 559 NH2 ARG A 37 -14.740 -8.308 2.190 1.00 0.00 N ATOM 0 H ARG A 37 -13.427 -2.373 -2.760 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.963 -3.180 -1.398 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.479 -4.728 -1.727 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.051 -5.594 -2.256 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.063 -4.858 0.057 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.739 -4.590 0.491 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.399 -7.142 -0.897 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.355 -7.041 0.507 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.034 -6.155 1.161 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.029 -9.011 0.604 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.063 -10.066 1.573 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.365 -7.526 2.387 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -14.941 -9.231 2.576 1.00 0.00 H new ATOM 573 N TYR A 38 -9.946 -3.153 -3.589 1.00 0.00 N ATOM 574 CA TYR A 38 -9.187 -3.297 -4.829 1.00 0.00 C ATOM 575 C TYR A 38 -8.370 -4.582 -4.774 1.00 0.00 C ATOM 576 O TYR A 38 -7.957 -5.011 -3.696 1.00 0.00 O ATOM 577 CB TYR A 38 -8.197 -2.141 -5.059 1.00 0.00 C ATOM 578 CG TYR A 38 -8.795 -0.750 -5.144 1.00 0.00 C ATOM 579 CD1 TYR A 38 -9.482 -0.193 -4.073 1.00 0.00 C ATOM 580 CD2 TYR A 38 -8.644 0.018 -6.295 1.00 0.00 C ATOM 581 CE1 TYR A 38 -10.004 1.087 -4.149 1.00 0.00 C ATOM 582 CE2 TYR A 38 -9.160 1.295 -6.376 1.00 0.00 C ATOM 583 CZ TYR A 38 -9.839 1.826 -5.303 1.00 0.00 C ATOM 584 OH TYR A 38 -10.356 3.098 -5.383 1.00 0.00 O ATOM 0 H TYR A 38 -9.465 -2.623 -2.862 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.915 -3.304 -5.640 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.467 -2.150 -4.250 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.652 -2.336 -5.983 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.611 -0.767 -3.167 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.113 -0.393 -7.141 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -10.538 1.506 -3.309 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -9.032 1.876 -7.278 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.680 3.745 -5.091 1.00 0.00 H new ATOM 594 N GLU A 39 -8.119 -5.188 -5.924 1.00 0.00 N ATOM 595 CA GLU A 39 -7.335 -6.412 -6.013 1.00 0.00 C ATOM 596 C GLU A 39 -5.967 -6.051 -6.560 1.00 0.00 C ATOM 597 O GLU A 39 -5.869 -5.202 -7.447 1.00 0.00 O ATOM 598 CB GLU A 39 -8.045 -7.422 -6.921 1.00 0.00 C ATOM 599 CG GLU A 39 -7.194 -8.620 -7.310 1.00 0.00 C ATOM 600 CD GLU A 39 -7.054 -9.627 -6.190 1.00 0.00 C ATOM 601 OE1 GLU A 39 -6.587 -9.238 -5.101 1.00 0.00 O ATOM 602 OE2 GLU A 39 -7.415 -10.804 -6.400 1.00 0.00 O ATOM 0 H GLU A 39 -8.454 -4.845 -6.824 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.225 -6.873 -5.032 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.943 -7.778 -6.416 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.370 -6.912 -7.828 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.637 -9.108 -8.178 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.204 -8.275 -7.609 1.00 0.00 H new ATOM 609 N ILE A 40 -4.902 -6.636 -6.026 1.00 0.00 N ATOM 610 CA ILE A 40 -3.579 -6.262 -6.503 1.00 0.00 C ATOM 611 C ILE A 40 -2.608 -7.404 -6.734 1.00 0.00 C ATOM 612 O ILE A 40 -2.497 -8.331 -5.933 1.00 0.00 O ATOM 613 CB ILE A 40 -2.911 -5.310 -5.497 1.00 0.00 C ATOM 614 CG1 ILE A 40 -3.245 -5.717 -4.060 1.00 0.00 C ATOM 615 CG2 ILE A 40 -3.309 -3.868 -5.763 1.00 0.00 C ATOM 616 CD1 ILE A 40 -2.162 -5.346 -3.072 1.00 0.00 C ATOM 0 H ILE A 40 -4.924 -7.343 -5.292 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.773 -5.805 -7.473 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.831 -5.386 -5.626 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.179 -5.241 -3.762 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.409 -6.794 -4.022 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.822 -3.216 -5.037 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.000 -3.585 -6.769 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.391 -3.767 -5.674 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.459 -5.661 -2.072 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.232 -5.843 -3.348 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.014 -4.266 -3.083 1.00 0.00 H new ATOM 628 N LYS A 41 -1.908 -7.312 -7.864 1.00 0.00 N ATOM 629 CA LYS A 41 -0.947 -8.322 -8.232 1.00 0.00 C ATOM 630 C LYS A 41 0.268 -8.142 -7.343 1.00 0.00 C ATOM 631 O LYS A 41 1.225 -7.449 -7.688 1.00 0.00 O ATOM 632 CB LYS A 41 -0.542 -8.192 -9.700 1.00 0.00 C ATOM 633 CG LYS A 41 -0.834 -9.439 -10.519 1.00 0.00 C ATOM 634 CD LYS A 41 0.066 -10.595 -10.108 1.00 0.00 C ATOM 635 CE LYS A 41 -0.739 -11.830 -9.731 1.00 0.00 C ATOM 636 NZ LYS A 41 -1.168 -11.806 -8.304 1.00 0.00 N ATOM 0 H LYS A 41 -1.996 -6.546 -8.532 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.385 -9.312 -8.102 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.068 -7.345 -10.141 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.524 -7.970 -9.757 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.878 -9.725 -10.390 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.691 -9.223 -11.578 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.743 -10.838 -10.927 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.684 -10.292 -9.263 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.618 -11.899 -10.372 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.140 -12.722 -9.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.191 -12.777 -7.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.496 -11.238 -7.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.117 -11.386 -8.234 1.00 0.00 H new ATOM 650 N MET A 42 0.176 -8.742 -6.164 1.00 0.00 N ATOM 651 CA MET A 42 1.212 -8.645 -5.152 1.00 0.00 C ATOM 652 C MET A 42 2.528 -9.210 -5.662 1.00 0.00 C ATOM 653 O MET A 42 2.596 -10.363 -6.086 1.00 0.00 O ATOM 654 CB MET A 42 0.751 -9.389 -3.897 1.00 0.00 C ATOM 655 CG MET A 42 1.305 -8.818 -2.609 1.00 0.00 C ATOM 656 SD MET A 42 3.054 -9.152 -2.394 1.00 0.00 S ATOM 657 CE MET A 42 3.610 -7.496 -2.040 1.00 0.00 C ATOM 0 H MET A 42 -0.623 -9.311 -5.884 1.00 0.00 H new ATOM 0 HA MET A 42 1.382 -7.596 -4.911 1.00 0.00 H new ATOM 0 HB2 MET A 42 -0.338 -9.369 -3.854 1.00 0.00 H new ATOM 0 HB3 MET A 42 1.047 -10.435 -3.977 1.00 0.00 H new ATOM 0 HG2 MET A 42 1.141 -7.740 -2.595 1.00 0.00 H new ATOM 0 HG3 MET A 42 0.754 -9.235 -1.766 1.00 0.00 H new ATOM 0 HE1 MET A 42 4.494 -7.273 -2.638 1.00 0.00 H new ATOM 0 HE2 MET A 42 2.819 -6.787 -2.283 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.858 -7.414 -0.982 1.00 0.00 H new ATOM 667 N THR A 43 3.574 -8.389 -5.635 1.00 0.00 N ATOM 668 CA THR A 43 4.871 -8.830 -6.115 1.00 0.00 C ATOM 669 C THR A 43 5.716 -9.456 -4.994 1.00 0.00 C ATOM 670 O THR A 43 6.069 -10.634 -5.063 1.00 0.00 O ATOM 671 CB THR A 43 5.621 -7.699 -6.820 1.00 0.00 C ATOM 672 OG1 THR A 43 5.507 -6.497 -6.102 1.00 0.00 O ATOM 673 CG2 THR A 43 5.115 -7.432 -8.221 1.00 0.00 C ATOM 0 H THR A 43 3.547 -7.429 -5.290 1.00 0.00 H new ATOM 0 HA THR A 43 4.691 -9.613 -6.852 1.00 0.00 H new ATOM 0 HB THR A 43 6.657 -8.034 -6.873 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.166 -6.684 -5.202 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.688 -6.619 -8.666 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.230 -8.331 -8.827 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.062 -7.154 -8.181 1.00 0.00 H new ATOM 681 N LYS A 44 6.034 -8.664 -3.950 1.00 0.00 N ATOM 682 CA LYS A 44 6.822 -9.123 -2.803 1.00 0.00 C ATOM 683 C LYS A 44 6.480 -8.272 -1.569 1.00 0.00 C ATOM 684 O LYS A 44 6.266 -7.065 -1.687 1.00 0.00 O ATOM 685 CB LYS A 44 8.321 -9.030 -3.104 1.00 0.00 C ATOM 686 CG LYS A 44 8.986 -10.382 -3.296 1.00 0.00 C ATOM 687 CD LYS A 44 10.457 -10.341 -2.912 1.00 0.00 C ATOM 688 CE LYS A 44 11.324 -9.921 -4.085 1.00 0.00 C ATOM 689 NZ LYS A 44 12.197 -11.029 -4.559 1.00 0.00 N ATOM 0 H LYS A 44 5.748 -7.687 -3.885 1.00 0.00 H new ATOM 0 HA LYS A 44 6.576 -10.166 -2.604 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.466 -8.432 -4.003 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.815 -8.504 -2.288 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.472 -11.130 -2.692 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.889 -10.691 -4.337 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.599 -9.645 -2.085 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.770 -11.324 -2.560 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.688 -9.585 -4.904 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.942 -9.072 -3.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.772 -10.699 -5.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.823 -11.333 -3.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.607 -11.830 -4.862 1.00 0.00 H new ATOM 703 N MET A 45 6.417 -8.897 -0.395 1.00 0.00 N ATOM 704 CA MET A 45 6.068 -8.180 0.841 1.00 0.00 C ATOM 705 C MET A 45 7.298 -7.615 1.512 1.00 0.00 C ATOM 706 O MET A 45 8.330 -8.279 1.574 1.00 0.00 O ATOM 707 CB MET A 45 5.406 -9.139 1.834 1.00 0.00 C ATOM 708 CG MET A 45 3.980 -8.783 2.190 1.00 0.00 C ATOM 709 SD MET A 45 2.823 -9.429 0.984 1.00 0.00 S ATOM 710 CE MET A 45 3.357 -11.127 0.963 1.00 0.00 C ATOM 0 H MET A 45 6.601 -9.892 -0.268 1.00 0.00 H new ATOM 0 HA MET A 45 5.391 -7.371 0.565 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.423 -10.145 1.415 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.000 -9.164 2.747 1.00 0.00 H new ATOM 0 HG2 MET A 45 3.740 -9.181 3.176 1.00 0.00 H new ATOM 0 HG3 MET A 45 3.878 -7.699 2.250 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.555 -11.756 0.577 1.00 0.00 H new ATOM 0 HE2 MET A 45 4.235 -11.225 0.324 1.00 0.00 H new ATOM 0 HE3 MET A 45 3.609 -11.442 1.976 1.00 0.00 H new ATOM 720 N TYR A 46 7.200 -6.397 2.043 1.00 0.00 N ATOM 721 CA TYR A 46 8.287 -5.757 2.729 1.00 0.00 C ATOM 722 C TYR A 46 8.030 -5.829 4.236 1.00 0.00 C ATOM 723 O TYR A 46 8.928 -6.176 5.001 1.00 0.00 O ATOM 724 CB TYR A 46 8.457 -4.332 2.193 1.00 0.00 C ATOM 725 CG TYR A 46 9.102 -4.306 0.823 1.00 0.00 C ATOM 726 CD1 TYR A 46 8.531 -4.993 -0.238 1.00 0.00 C ATOM 727 CD2 TYR A 46 10.282 -3.609 0.590 1.00 0.00 C ATOM 728 CE1 TYR A 46 9.114 -4.987 -1.488 1.00 0.00 C ATOM 729 CE2 TYR A 46 10.869 -3.596 -0.659 1.00 0.00 C ATOM 730 CZ TYR A 46 10.280 -4.289 -1.695 1.00 0.00 C ATOM 731 OH TYR A 46 10.855 -4.290 -2.944 1.00 0.00 O ATOM 0 H TYR A 46 6.350 -5.834 2.001 1.00 0.00 H new ATOM 0 HA TYR A 46 9.234 -6.266 2.546 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.482 -3.847 2.142 1.00 0.00 H new ATOM 0 HB3 TYR A 46 9.065 -3.754 2.889 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.614 -5.542 -0.083 1.00 0.00 H new ATOM 0 HD2 TYR A 46 10.748 -3.068 1.401 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.656 -5.529 -2.302 1.00 0.00 H new ATOM 0 HE2 TYR A 46 11.784 -3.046 -0.824 1.00 0.00 H new ATOM 0 HH TYR A 46 11.094 -3.373 -3.195 1.00 0.00 H new ATOM 741 N LYS A 47 6.794 -5.535 4.667 1.00 0.00 N ATOM 742 CA LYS A 47 6.431 -5.609 6.071 1.00 0.00 C ATOM 743 C LYS A 47 5.090 -6.317 6.202 1.00 0.00 C ATOM 744 O LYS A 47 4.131 -5.964 5.522 1.00 0.00 O ATOM 745 CB LYS A 47 6.338 -4.211 6.680 1.00 0.00 C ATOM 746 CG LYS A 47 7.215 -4.024 7.903 1.00 0.00 C ATOM 747 CD LYS A 47 7.647 -2.577 8.053 1.00 0.00 C ATOM 748 CE LYS A 47 6.857 -1.872 9.143 1.00 0.00 C ATOM 749 NZ LYS A 47 7.591 -1.855 10.437 1.00 0.00 N ATOM 0 H LYS A 47 6.034 -5.244 4.053 1.00 0.00 H new ATOM 0 HA LYS A 47 7.200 -6.166 6.607 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.618 -3.476 5.926 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.302 -4.010 6.952 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.672 -4.338 8.794 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.095 -4.663 7.824 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.711 -2.536 8.288 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.509 -2.055 7.106 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.644 -0.849 8.833 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.897 -2.371 9.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.019 -1.365 11.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.772 -2.831 10.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.496 -1.356 10.316 1.00 0.00 H new ATOM 763 N GLY A 48 5.036 -7.340 7.040 1.00 0.00 N ATOM 764 CA GLY A 48 3.825 -8.124 7.224 1.00 0.00 C ATOM 765 C GLY A 48 4.123 -9.526 7.726 1.00 0.00 C ATOM 766 O GLY A 48 3.203 -10.272 8.064 1.00 0.00 O ATOM 0 H GLY A 48 5.825 -7.649 7.608 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.170 -7.617 7.933 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.286 -8.185 6.279 1.00 0.00 H new ATOM 770 N PHE A 49 5.411 -9.880 7.830 1.00 0.00 N ATOM 771 CA PHE A 49 5.793 -11.179 8.354 1.00 0.00 C ATOM 772 C PHE A 49 5.578 -11.200 9.865 1.00 0.00 C ATOM 773 O PHE A 49 5.867 -12.186 10.541 1.00 0.00 O ATOM 774 CB PHE A 49 7.248 -11.498 8.023 1.00 0.00 C ATOM 775 CG PHE A 49 7.642 -11.184 6.608 1.00 0.00 C ATOM 776 CD1 PHE A 49 7.997 -9.895 6.240 1.00 0.00 C ATOM 777 CD2 PHE A 49 7.665 -12.181 5.648 1.00 0.00 C ATOM 778 CE1 PHE A 49 8.366 -9.609 4.940 1.00 0.00 C ATOM 779 CE2 PHE A 49 8.032 -11.900 4.346 1.00 0.00 C ATOM 780 CZ PHE A 49 8.383 -10.613 3.991 1.00 0.00 C ATOM 0 H PHE A 49 6.193 -9.284 7.558 1.00 0.00 H new ATOM 0 HA PHE A 49 5.170 -11.941 7.887 1.00 0.00 H new ATOM 0 HB2 PHE A 49 7.894 -10.939 8.700 1.00 0.00 H new ATOM 0 HB3 PHE A 49 7.428 -12.556 8.212 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.985 -9.106 6.978 1.00 0.00 H new ATOM 0 HD2 PHE A 49 7.393 -13.190 5.920 1.00 0.00 H new ATOM 0 HE1 PHE A 49 8.641 -8.601 4.666 1.00 0.00 H new ATOM 0 HE2 PHE A 49 8.044 -12.687 3.606 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.670 -10.391 2.974 1.00 0.00 H new ATOM 790 N GLN A 50 4.957 -10.131 10.349 1.00 0.00 N ATOM 791 CA GLN A 50 4.577 -10.076 11.738 1.00 0.00 C ATOM 792 C GLN A 50 3.146 -10.590 11.789 1.00 0.00 C ATOM 793 O GLN A 50 2.829 -11.533 12.514 1.00 0.00 O ATOM 794 CB GLN A 50 4.720 -8.659 12.341 1.00 0.00 C ATOM 795 CG GLN A 50 3.890 -7.570 11.668 1.00 0.00 C ATOM 796 CD GLN A 50 3.740 -6.333 12.535 1.00 0.00 C ATOM 797 OE1 GLN A 50 2.706 -6.133 13.171 1.00 0.00 O ATOM 798 NE2 GLN A 50 4.769 -5.494 12.564 1.00 0.00 N ATOM 0 H GLN A 50 4.713 -9.306 9.802 1.00 0.00 H new ATOM 0 HA GLN A 50 5.239 -10.688 12.350 1.00 0.00 H new ATOM 0 HB2 GLN A 50 4.444 -8.702 13.395 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.770 -8.369 12.298 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.358 -7.293 10.723 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.902 -7.965 11.431 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.608 -5.698 12.021 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.720 -4.646 13.129 1.00 0.00 H new ATOM 807 N ALA A 51 2.297 -9.982 10.959 1.00 0.00 N ATOM 808 CA ALA A 51 0.911 -10.405 10.855 1.00 0.00 C ATOM 809 C ALA A 51 0.855 -11.894 10.488 1.00 0.00 C ATOM 810 O ALA A 51 0.061 -12.652 11.045 1.00 0.00 O ATOM 811 CB ALA A 51 0.178 -9.559 9.828 1.00 0.00 C ATOM 0 H ALA A 51 2.549 -9.200 10.355 1.00 0.00 H new ATOM 0 HA ALA A 51 0.416 -10.266 11.816 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.859 -9.887 9.760 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.209 -8.512 10.130 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.658 -9.670 8.856 1.00 0.00 H new ATOM 875 N ASP A 57 0.720 -11.771 2.482 1.00 0.00 N ATOM 876 CA ASP A 57 0.157 -11.006 3.572 1.00 0.00 C ATOM 877 C ASP A 57 -0.768 -9.946 2.988 1.00 0.00 C ATOM 878 O ASP A 57 -1.695 -9.478 3.648 1.00 0.00 O ATOM 879 CB ASP A 57 1.263 -10.323 4.375 1.00 0.00 C ATOM 880 CG ASP A 57 0.734 -9.614 5.605 1.00 0.00 C ATOM 881 OD1 ASP A 57 -0.120 -8.716 5.450 1.00 0.00 O ATOM 882 OD2 ASP A 57 1.175 -9.951 6.721 1.00 0.00 O ATOM 0 HA ASP A 57 -0.393 -11.673 4.236 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.000 -11.067 4.677 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.778 -9.604 3.739 1.00 0.00 H new ATOM 887 N ILE A 58 -0.493 -9.562 1.733 1.00 0.00 N ATOM 888 CA ILE A 58 -1.283 -8.547 1.048 1.00 0.00 C ATOM 889 C ILE A 58 -1.919 -9.133 -0.202 1.00 0.00 C ATOM 890 O ILE A 58 -1.260 -9.832 -0.969 1.00 0.00 O ATOM 891 CB ILE A 58 -0.436 -7.326 0.635 1.00 0.00 C ATOM 892 CG1 ILE A 58 0.654 -7.000 1.669 1.00 0.00 C ATOM 893 CG2 ILE A 58 -1.344 -6.125 0.437 1.00 0.00 C ATOM 894 CD1 ILE A 58 0.274 -7.260 3.108 1.00 0.00 C ATOM 0 H ILE A 58 0.273 -9.944 1.177 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.047 -8.217 1.752 1.00 0.00 H new ATOM 0 HB ILE A 58 0.069 -7.570 -0.299 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.543 -7.585 1.433 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.927 -5.950 1.566 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.747 -5.261 0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.072 -6.344 -0.345 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.867 -5.907 1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.109 -6.999 3.758 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.593 -6.654 3.370 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.032 -8.315 3.235 1.00 0.00 H new ATOM 906 N ARG A 59 -3.184 -8.803 -0.431 1.00 0.00 N ATOM 907 CA ARG A 59 -3.857 -9.276 -1.633 1.00 0.00 C ATOM 908 C ARG A 59 -4.934 -8.342 -2.166 1.00 0.00 C ATOM 909 O ARG A 59 -5.199 -8.265 -3.365 1.00 0.00 O ATOM 910 CB ARG A 59 -4.392 -10.696 -1.448 1.00 0.00 C ATOM 911 CG ARG A 59 -3.292 -11.751 -1.429 1.00 0.00 C ATOM 912 CD ARG A 59 -3.593 -12.900 -2.374 1.00 0.00 C ATOM 913 NE ARG A 59 -2.907 -12.753 -3.661 1.00 0.00 N ATOM 914 CZ ARG A 59 -1.805 -13.422 -4.006 1.00 0.00 C ATOM 915 NH1 ARG A 59 -1.239 -14.279 -3.163 1.00 0.00 N ATOM 916 NH2 ARG A 59 -1.266 -13.231 -5.204 1.00 0.00 N ATOM 0 H ARG A 59 -3.754 -8.223 0.185 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.087 -9.288 -2.404 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.953 -10.748 -0.515 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.091 -10.923 -2.253 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.343 -11.291 -1.707 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.175 -12.135 -0.416 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.292 -13.839 -1.909 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.668 -12.958 -2.542 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.297 -12.097 -4.337 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.647 -14.432 -2.241 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.397 -14.784 -3.438 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.694 -12.575 -5.857 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.424 -13.740 -5.471 1.00 0.00 H new ATOM 930 N PHE A 60 -5.552 -7.637 -1.215 1.00 0.00 N ATOM 931 CA PHE A 60 -6.610 -6.695 -1.472 1.00 0.00 C ATOM 932 C PHE A 60 -6.476 -5.568 -0.492 1.00 0.00 C ATOM 933 O PHE A 60 -6.009 -5.736 0.636 1.00 0.00 O ATOM 934 CB PHE A 60 -7.990 -7.351 -1.336 1.00 0.00 C ATOM 935 CG PHE A 60 -8.231 -8.507 -2.268 1.00 0.00 C ATOM 936 CD1 PHE A 60 -7.690 -9.757 -2.005 1.00 0.00 C ATOM 937 CD2 PHE A 60 -9.018 -8.347 -3.397 1.00 0.00 C ATOM 938 CE1 PHE A 60 -7.927 -10.823 -2.853 1.00 0.00 C ATOM 939 CE2 PHE A 60 -9.262 -9.410 -4.246 1.00 0.00 C ATOM 940 CZ PHE A 60 -8.715 -10.650 -3.974 1.00 0.00 C ATOM 0 H PHE A 60 -5.315 -7.717 -0.226 1.00 0.00 H new ATOM 0 HA PHE A 60 -6.526 -6.328 -2.495 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -8.113 -7.697 -0.310 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -8.755 -6.595 -1.511 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -7.077 -9.899 -1.128 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -9.446 -7.380 -3.616 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -7.496 -11.790 -2.639 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -9.880 -9.272 -5.121 1.00 0.00 H new ATOM 0 HZ PHE A 60 -8.903 -11.482 -4.637 1.00 0.00 H new ATOM 950 N VAL A 61 -6.814 -4.412 -0.973 1.00 0.00 N ATOM 951 CA VAL A 61 -6.671 -3.202 -0.214 1.00 0.00 C ATOM 952 C VAL A 61 -8.015 -2.559 0.134 1.00 0.00 C ATOM 953 O VAL A 61 -8.818 -2.245 -0.745 1.00 0.00 O ATOM 954 CB VAL A 61 -5.800 -2.238 -1.030 1.00 0.00 C ATOM 955 CG1 VAL A 61 -4.667 -2.982 -1.716 1.00 0.00 C ATOM 956 CG2 VAL A 61 -6.625 -1.481 -2.060 1.00 0.00 C ATOM 0 H VAL A 61 -7.199 -4.277 -1.908 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.201 -3.438 0.741 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.375 -1.514 -0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.063 -2.278 -2.288 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.044 -3.468 -0.965 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.080 -3.735 -2.387 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.977 -0.807 -2.621 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.091 -2.189 -2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.398 -0.903 -1.554 1.00 0.00 H new ATOM 966 N TYR A 62 -8.274 -2.413 1.432 1.00 0.00 N ATOM 967 CA TYR A 62 -9.536 -1.861 1.887 1.00 0.00 C ATOM 968 C TYR A 62 -9.431 -0.380 2.250 1.00 0.00 C ATOM 969 O TYR A 62 -8.852 0.000 3.272 1.00 0.00 O ATOM 970 CB TYR A 62 -10.061 -2.653 3.090 1.00 0.00 C ATOM 971 CG TYR A 62 -10.184 -4.151 2.863 1.00 0.00 C ATOM 972 CD1 TYR A 62 -9.160 -4.892 2.271 1.00 0.00 C ATOM 973 CD2 TYR A 62 -11.330 -4.830 3.261 1.00 0.00 C ATOM 974 CE1 TYR A 62 -9.279 -6.251 2.084 1.00 0.00 C ATOM 975 CE2 TYR A 62 -11.454 -6.193 3.074 1.00 0.00 C ATOM 976 CZ TYR A 62 -10.426 -6.899 2.487 1.00 0.00 C ATOM 977 OH TYR A 62 -10.550 -8.259 2.301 1.00 0.00 O ATOM 0 H TYR A 62 -7.628 -2.669 2.178 1.00 0.00 H new ATOM 0 HA TYR A 62 -10.236 -1.945 1.055 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.397 -2.482 3.938 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -11.039 -2.260 3.367 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -8.258 -4.390 1.954 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -12.137 -4.282 3.724 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -8.476 -6.807 1.623 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -12.353 -6.703 3.387 1.00 0.00 H new ATOM 0 HH TYR A 62 -11.120 -8.635 3.004 1.00 0.00 H new ATOM 987 N THR A 63 -9.970 0.449 1.370 1.00 0.00 N ATOM 988 CA THR A 63 -9.966 1.912 1.506 1.00 0.00 C ATOM 989 C THR A 63 -11.361 2.417 1.848 1.00 0.00 C ATOM 990 O THR A 63 -12.326 2.046 1.192 1.00 0.00 O ATOM 991 CB THR A 63 -9.536 2.590 0.181 1.00 0.00 C ATOM 992 OG1 THR A 63 -10.421 3.642 -0.178 1.00 0.00 O ATOM 993 CG2 THR A 63 -9.534 1.665 -1.008 1.00 0.00 C ATOM 0 H THR A 63 -10.434 0.125 0.521 1.00 0.00 H new ATOM 0 HA THR A 63 -9.262 2.161 2.300 1.00 0.00 H new ATOM 0 HB THR A 63 -8.525 2.940 0.391 1.00 0.00 H new ATOM 0 HG1 THR A 63 -10.448 3.728 -1.154 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.222 2.215 -1.896 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.841 0.843 -0.828 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.537 1.267 -1.161 1.00 0.00 H new ATOM 1001 N PRO A 64 -11.492 3.304 2.847 1.00 0.00 N ATOM 1002 CA PRO A 64 -12.794 3.860 3.205 1.00 0.00 C ATOM 1003 C PRO A 64 -13.518 4.438 1.974 1.00 0.00 C ATOM 1004 O PRO A 64 -12.936 5.173 1.179 1.00 0.00 O ATOM 1005 CB PRO A 64 -12.458 4.974 4.196 1.00 0.00 C ATOM 1006 CG PRO A 64 -11.125 4.611 4.756 1.00 0.00 C ATOM 1007 CD PRO A 64 -10.402 3.845 3.680 1.00 0.00 C ATOM 0 HA PRO A 64 -13.463 3.105 3.618 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -12.426 5.945 3.701 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.210 5.042 4.982 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -10.567 5.504 5.038 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.234 4.006 5.656 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.740 4.491 3.104 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.785 3.050 4.099 1.00 0.00 H new ATOM 1015 N ALA A 65 -14.781 4.059 1.828 1.00 0.00 N ATOM 1016 CA ALA A 65 -15.628 4.463 0.732 1.00 0.00 C ATOM 1017 C ALA A 65 -16.455 5.705 1.052 1.00 0.00 C ATOM 1018 O ALA A 65 -17.603 5.596 1.481 1.00 0.00 O ATOM 1019 CB ALA A 65 -16.567 3.323 0.371 1.00 0.00 C ATOM 0 H ALA A 65 -15.251 3.444 2.493 1.00 0.00 H new ATOM 0 HA ALA A 65 -14.974 4.710 -0.104 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -17.207 3.627 -0.457 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -15.984 2.450 0.077 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -17.184 3.073 1.234 1.00 0.00 H new ATOM 1025 N MET A 66 -15.890 6.881 0.826 1.00 0.00 N ATOM 1026 CA MET A 66 -16.615 8.122 1.075 1.00 0.00 C ATOM 1027 C MET A 66 -16.263 9.172 0.026 1.00 0.00 C ATOM 1028 O MET A 66 -15.336 8.989 -0.764 1.00 0.00 O ATOM 1029 CB MET A 66 -16.325 8.646 2.482 1.00 0.00 C ATOM 1030 CG MET A 66 -17.523 8.600 3.416 1.00 0.00 C ATOM 1031 SD MET A 66 -18.764 9.847 3.024 1.00 0.00 S ATOM 1032 CE MET A 66 -17.973 11.325 3.656 1.00 0.00 C ATOM 0 H MET A 66 -14.941 7.005 0.474 1.00 0.00 H new ATOM 0 HA MET A 66 -17.682 7.912 1.003 1.00 0.00 H new ATOM 0 HB2 MET A 66 -15.515 8.061 2.917 1.00 0.00 H new ATOM 0 HB3 MET A 66 -15.972 9.675 2.410 1.00 0.00 H new ATOM 0 HG2 MET A 66 -17.979 7.611 3.365 1.00 0.00 H new ATOM 0 HG3 MET A 66 -17.183 8.742 4.442 1.00 0.00 H new ATOM 0 HE1 MET A 66 -18.700 12.136 3.700 1.00 0.00 H new ATOM 0 HE2 MET A 66 -17.585 11.131 4.656 1.00 0.00 H new ATOM 0 HE3 MET A 66 -17.152 11.609 2.997 1.00 0.00 H new ATOM 1042 N GLU A 67 -17.010 10.268 0.021 1.00 0.00 N ATOM 1043 CA GLU A 67 -16.785 11.347 -0.932 1.00 0.00 C ATOM 1044 C GLU A 67 -15.429 12.015 -0.707 1.00 0.00 C ATOM 1045 O GLU A 67 -14.544 11.946 -1.560 1.00 0.00 O ATOM 1046 CB GLU A 67 -17.906 12.380 -0.818 1.00 0.00 C ATOM 1047 CG GLU A 67 -19.234 11.897 -1.379 1.00 0.00 C ATOM 1048 CD GLU A 67 -20.306 11.767 -0.314 1.00 0.00 C ATOM 1049 OE1 GLU A 67 -20.770 12.811 0.191 1.00 0.00 O ATOM 1050 OE2 GLU A 67 -20.682 10.621 0.014 1.00 0.00 O ATOM 0 H GLU A 67 -17.780 10.434 0.669 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.784 10.921 -1.935 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -18.039 12.646 0.231 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.608 13.288 -1.342 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -19.573 12.591 -2.148 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -19.090 10.931 -1.863 1.00 0.00 H new ATOM 1057 N SER A 68 -15.275 12.664 0.444 1.00 0.00 N ATOM 1058 CA SER A 68 -14.028 13.350 0.781 1.00 0.00 C ATOM 1059 C SER A 68 -13.241 12.566 1.824 1.00 0.00 C ATOM 1060 O SER A 68 -12.744 13.130 2.799 1.00 0.00 O ATOM 1061 CB SER A 68 -14.325 14.754 1.307 1.00 0.00 C ATOM 1062 OG SER A 68 -15.274 15.413 0.489 1.00 0.00 O ATOM 0 H SER A 68 -15.998 12.730 1.160 1.00 0.00 H new ATOM 0 HA SER A 68 -13.426 13.424 -0.125 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.701 14.691 2.328 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.404 15.335 1.342 1.00 0.00 H new ATOM 0 HG SER A 68 -15.449 16.308 0.847 1.00 0.00 H new ATOM 1068 N VAL A 69 -13.148 11.261 1.620 1.00 0.00 N ATOM 1069 CA VAL A 69 -12.440 10.393 2.547 1.00 0.00 C ATOM 1070 C VAL A 69 -11.040 10.067 2.086 1.00 0.00 C ATOM 1071 O VAL A 69 -10.667 10.300 0.936 1.00 0.00 O ATOM 1072 CB VAL A 69 -13.189 9.060 2.734 1.00 0.00 C ATOM 1073 CG1 VAL A 69 -12.972 8.114 1.558 1.00 0.00 C ATOM 1074 CG2 VAL A 69 -12.808 8.389 4.046 1.00 0.00 C ATOM 0 H VAL A 69 -13.555 10.779 0.818 1.00 0.00 H new ATOM 0 HA VAL A 69 -12.388 10.946 3.485 1.00 0.00 H new ATOM 0 HB VAL A 69 -14.252 9.297 2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -13.518 7.187 1.732 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -13.334 8.582 0.643 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.909 7.896 1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -13.354 7.451 4.147 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -11.737 8.188 4.054 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -13.060 9.047 4.878 1.00 0.00 H new ATOM 1084 N CYS A 70 -10.306 9.444 2.986 1.00 0.00 N ATOM 1085 CA CYS A 70 -8.983 8.978 2.692 1.00 0.00 C ATOM 1086 C CYS A 70 -9.098 7.513 2.390 1.00 0.00 C ATOM 1087 O CYS A 70 -8.809 6.646 3.208 1.00 0.00 O ATOM 1088 CB CYS A 70 -8.004 9.242 3.841 1.00 0.00 C ATOM 1089 SG CYS A 70 -8.740 9.190 5.510 1.00 0.00 S ATOM 0 H CYS A 70 -10.617 9.251 3.938 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.575 9.520 1.839 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -7.202 8.506 3.791 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -7.548 10.221 3.692 1.00 0.00 H new ATOM 0 HG CYS A 70 -7.820 9.425 6.398 1.00 0.00 H new ATOM 1094 N GLY A 71 -9.495 7.276 1.168 1.00 0.00 N ATOM 1095 CA GLY A 71 -9.621 5.950 0.674 1.00 0.00 C ATOM 1096 C GLY A 71 -8.408 5.589 -0.129 1.00 0.00 C ATOM 1097 O GLY A 71 -7.312 5.442 0.410 1.00 0.00 O ATOM 0 H GLY A 71 -9.738 8.003 0.495 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.740 5.253 1.504 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.515 5.866 0.057 1.00 0.00 H new ATOM 1101 N TYR A 72 -8.590 5.501 -1.423 1.00 0.00 N ATOM 1102 CA TYR A 72 -7.480 5.218 -2.311 1.00 0.00 C ATOM 1103 C TYR A 72 -7.811 5.432 -3.770 1.00 0.00 C ATOM 1104 O TYR A 72 -8.126 4.478 -4.484 1.00 0.00 O ATOM 1105 CB TYR A 72 -7.010 3.788 -2.113 1.00 0.00 C ATOM 1106 CG TYR A 72 -5.642 3.542 -2.687 1.00 0.00 C ATOM 1107 CD1 TYR A 72 -4.503 3.935 -2.000 1.00 0.00 C ATOM 1108 CD2 TYR A 72 -5.490 2.924 -3.919 1.00 0.00 C ATOM 1109 CE1 TYR A 72 -3.247 3.718 -2.525 1.00 0.00 C ATOM 1110 CE2 TYR A 72 -4.238 2.701 -4.452 1.00 0.00 C ATOM 1111 CZ TYR A 72 -3.119 3.100 -3.753 1.00 0.00 C ATOM 1112 OH TYR A 72 -1.870 2.879 -4.282 1.00 0.00 O ATOM 0 H TYR A 72 -9.490 5.620 -1.888 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.692 5.924 -2.051 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.999 3.558 -1.048 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.723 3.108 -2.579 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.602 4.418 -1.039 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.365 2.613 -4.469 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.369 4.029 -1.979 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -4.135 2.216 -5.412 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.878 2.050 -4.804 1.00 0.00 H new ATOM 1122 N PHE A 73 -7.742 6.668 -4.226 1.00 0.00 N ATOM 1123 CA PHE A 73 -8.041 6.949 -5.610 1.00 0.00 C ATOM 1124 C PHE A 73 -6.950 6.345 -6.491 1.00 0.00 C ATOM 1125 O PHE A 73 -5.836 6.860 -6.583 1.00 0.00 O ATOM 1126 CB PHE A 73 -8.149 8.458 -5.831 1.00 0.00 C ATOM 1127 CG PHE A 73 -9.555 9.001 -5.739 1.00 0.00 C ATOM 1128 CD1 PHE A 73 -10.192 9.142 -4.514 1.00 0.00 C ATOM 1129 CD2 PHE A 73 -10.234 9.382 -6.883 1.00 0.00 C ATOM 1130 CE1 PHE A 73 -11.478 9.651 -4.442 1.00 0.00 C ATOM 1131 CE2 PHE A 73 -11.516 9.887 -6.818 1.00 0.00 C ATOM 1132 CZ PHE A 73 -12.140 10.023 -5.596 1.00 0.00 C ATOM 0 H PHE A 73 -7.485 7.480 -3.665 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.999 6.502 -5.877 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -7.527 8.967 -5.095 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -7.742 8.699 -6.813 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -9.680 8.852 -3.608 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -9.751 9.282 -7.844 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -11.964 9.757 -3.483 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -12.030 10.175 -7.723 1.00 0.00 H new ATOM 0 HZ PHE A 73 -13.143 10.419 -5.541 1.00 0.00 H new ATOM 1142 N HIS A 74 -7.296 5.216 -7.094 1.00 0.00 N ATOM 1143 CA HIS A 74 -6.343 4.493 -7.928 1.00 0.00 C ATOM 1144 C HIS A 74 -6.598 4.716 -9.414 1.00 0.00 C ATOM 1145 O HIS A 74 -7.564 4.212 -9.985 1.00 0.00 O ATOM 1146 CB HIS A 74 -6.363 3.008 -7.551 1.00 0.00 C ATOM 1147 CG HIS A 74 -5.857 2.084 -8.618 1.00 0.00 C ATOM 1148 ND1 HIS A 74 -6.633 1.099 -9.195 1.00 0.00 N ATOM 1149 CD2 HIS A 74 -4.643 1.999 -9.214 1.00 0.00 C ATOM 1150 CE1 HIS A 74 -5.919 0.449 -10.097 1.00 0.00 C ATOM 1151 NE2 HIS A 74 -4.710 0.975 -10.128 1.00 0.00 N ATOM 0 H HIS A 74 -8.217 4.784 -7.024 1.00 0.00 H new ATOM 0 HA HIS A 74 -5.343 4.885 -7.740 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -5.762 2.867 -6.652 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -7.385 2.725 -7.299 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -7.606 0.903 -8.961 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -3.783 2.620 -9.009 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -6.266 -0.373 -10.705 1.00 0.00 H new ATOM 1160 N ARG A 75 -5.703 5.495 -10.016 1.00 0.00 N ATOM 1161 CA ARG A 75 -5.780 5.835 -11.431 1.00 0.00 C ATOM 1162 C ARG A 75 -4.540 5.344 -12.164 1.00 0.00 C ATOM 1163 O ARG A 75 -3.874 6.110 -12.860 1.00 0.00 O ATOM 1164 CB ARG A 75 -5.899 7.352 -11.595 1.00 0.00 C ATOM 1165 CG ARG A 75 -7.271 7.901 -11.253 1.00 0.00 C ATOM 1166 CD ARG A 75 -7.570 7.787 -9.771 1.00 0.00 C ATOM 1167 NE ARG A 75 -8.955 8.124 -9.477 1.00 0.00 N ATOM 1168 CZ ARG A 75 -9.963 7.256 -9.545 1.00 0.00 C ATOM 1169 NH1 ARG A 75 -9.749 6.005 -9.931 1.00 0.00 N ATOM 1170 NH2 ARG A 75 -11.191 7.645 -9.233 1.00 0.00 N ATOM 0 H ARG A 75 -4.904 5.908 -9.535 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.659 5.351 -11.856 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.156 7.836 -10.960 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.659 7.616 -12.625 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.330 8.946 -11.556 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.030 7.361 -11.819 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.363 6.771 -9.434 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.907 8.449 -9.213 1.00 0.00 H new ATOM 0 HE ARG A 75 -9.167 9.083 -9.202 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.807 5.702 -10.178 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.526 5.346 -9.980 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.363 8.607 -8.942 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -11.964 6.982 -9.284 1.00 0.00 H new ATOM 1184 N SER A 76 -4.218 4.068 -11.995 1.00 0.00 N ATOM 1185 CA SER A 76 -3.041 3.500 -12.637 1.00 0.00 C ATOM 1186 C SER A 76 -3.417 2.602 -13.817 1.00 0.00 C ATOM 1187 O SER A 76 -4.027 1.548 -13.641 1.00 0.00 O ATOM 1188 CB SER A 76 -2.210 2.717 -11.617 1.00 0.00 C ATOM 1189 OG SER A 76 -1.867 3.530 -10.507 1.00 0.00 O ATOM 0 H SER A 76 -4.751 3.412 -11.424 1.00 0.00 H new ATOM 0 HA SER A 76 -2.445 4.325 -13.028 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.772 1.848 -11.275 1.00 0.00 H new ATOM 0 HB3 SER A 76 -1.303 2.343 -12.092 1.00 0.00 H new ATOM 0 HG SER A 76 -0.963 3.305 -10.203 1.00 0.00 H new ATOM 1195 N HIS A 77 -3.029 3.027 -15.019 1.00 0.00 N ATOM 1196 CA HIS A 77 -3.298 2.269 -16.245 1.00 0.00 C ATOM 1197 C HIS A 77 -2.538 0.945 -16.219 1.00 0.00 C ATOM 1198 O HIS A 77 -3.100 -0.132 -16.417 1.00 0.00 O ATOM 1199 CB HIS A 77 -2.844 3.087 -17.456 1.00 0.00 C ATOM 1200 CG HIS A 77 -3.910 3.324 -18.475 1.00 0.00 C ATOM 1201 ND1 HIS A 77 -4.119 4.552 -19.064 1.00 0.00 N ATOM 1202 CD2 HIS A 77 -4.814 2.483 -19.030 1.00 0.00 C ATOM 1203 CE1 HIS A 77 -5.105 4.458 -19.937 1.00 0.00 C ATOM 1204 NE2 HIS A 77 -5.546 3.212 -19.936 1.00 0.00 N ATOM 0 H HIS A 77 -2.523 3.899 -15.172 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.367 2.067 -16.313 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.470 4.050 -17.109 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -2.009 2.574 -17.934 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -4.937 1.434 -18.803 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -5.486 5.263 -20.548 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -6.305 2.851 -20.513 1.00 0.00 H new ATOM 1213 N ASN A 78 -1.237 1.078 -16.026 1.00 0.00 N ATOM 1214 CA ASN A 78 -0.333 -0.064 -16.027 1.00 0.00 C ATOM 1215 C ASN A 78 -0.575 -0.980 -14.832 1.00 0.00 C ATOM 1216 O ASN A 78 -0.262 -0.621 -13.697 1.00 0.00 O ATOM 1217 CB ASN A 78 1.118 0.426 -16.027 1.00 0.00 C ATOM 1218 CG ASN A 78 2.045 -0.477 -16.823 1.00 0.00 C ATOM 1219 OD1 ASN A 78 1.990 -1.771 -16.549 1.00 0.00 O flip ATOM 1220 ND2 ASN A 78 2.802 -0.011 -17.673 1.00 0.00 N flip ATOM 0 H ASN A 78 -0.778 1.974 -15.865 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.526 -0.643 -16.930 1.00 0.00 H new ATOM 0 HB2 ASN A 78 1.156 1.434 -16.441 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.475 0.490 -14.999 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.812 0.993 -17.852 1.00 0.00 H new ATOM 0 HD22 ASN A 78 3.420 -0.629 -18.199 1.00 0.00 H new ATOM 1227 N ARG A 79 -1.130 -2.169 -15.085 1.00 0.00 N ATOM 1228 CA ARG A 79 -1.414 -3.145 -14.040 1.00 0.00 C ATOM 1229 C ARG A 79 -0.194 -4.025 -13.775 1.00 0.00 C ATOM 1230 O ARG A 79 -0.115 -4.703 -12.754 1.00 0.00 O ATOM 1231 CB ARG A 79 -2.620 -4.003 -14.435 1.00 0.00 C ATOM 1232 CG ARG A 79 -3.946 -3.256 -14.353 1.00 0.00 C ATOM 1233 CD ARG A 79 -4.776 -3.430 -15.617 1.00 0.00 C ATOM 1234 NE ARG A 79 -5.724 -2.331 -15.800 1.00 0.00 N ATOM 1235 CZ ARG A 79 -5.735 -1.512 -16.853 1.00 0.00 C ATOM 1236 NH1 ARG A 79 -4.851 -1.655 -17.833 1.00 0.00 N ATOM 1237 NH2 ARG A 79 -6.637 -0.542 -16.924 1.00 0.00 N ATOM 0 H ARG A 79 -1.393 -2.478 -16.021 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.651 -2.609 -13.121 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -2.479 -4.368 -15.452 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.663 -4.877 -13.786 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -4.513 -3.616 -13.494 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -3.755 -2.196 -14.187 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.114 -3.487 -16.481 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -5.319 -4.374 -15.568 1.00 0.00 H new ATOM 0 HE ARG A 79 -6.424 -2.181 -15.073 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.153 -2.397 -17.786 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.870 -1.022 -18.633 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -7.319 -0.424 -16.175 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -6.648 0.086 -17.728 1.00 0.00 H new ATOM 1251 N SER A 80 0.757 -4.003 -14.705 1.00 0.00 N ATOM 1252 CA SER A 80 1.981 -4.786 -14.582 1.00 0.00 C ATOM 1253 C SER A 80 3.141 -3.898 -14.133 1.00 0.00 C ATOM 1254 O SER A 80 4.206 -4.408 -13.790 1.00 0.00 O ATOM 1255 CB SER A 80 2.324 -5.452 -15.915 1.00 0.00 C ATOM 1256 OG SER A 80 1.155 -5.718 -16.672 1.00 0.00 O ATOM 0 H SER A 80 0.701 -3.447 -15.558 1.00 0.00 H new ATOM 0 HA SER A 80 1.818 -5.559 -13.831 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.991 -4.806 -16.486 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.861 -6.383 -15.732 1.00 0.00 H new ATOM 0 HG SER A 80 1.404 -6.142 -17.520 1.00 0.00 H new ATOM 1262 N GLU A 81 2.915 -2.601 -14.027 1.00 0.00 N ATOM 1263 CA GLU A 81 3.943 -1.729 -13.482 1.00 0.00 C ATOM 1264 C GLU A 81 3.962 -1.970 -11.964 1.00 0.00 C ATOM 1265 O GLU A 81 2.908 -1.912 -11.333 1.00 0.00 O ATOM 1266 CB GLU A 81 3.658 -0.261 -13.800 1.00 0.00 C ATOM 1267 CG GLU A 81 4.845 0.651 -13.543 1.00 0.00 C ATOM 1268 CD GLU A 81 4.433 2.011 -13.018 1.00 0.00 C ATOM 1269 OE1 GLU A 81 3.680 2.716 -13.721 1.00 0.00 O ATOM 1270 OE2 GLU A 81 4.866 2.373 -11.903 1.00 0.00 O ATOM 0 H GLU A 81 2.051 -2.135 -14.303 1.00 0.00 H new ATOM 0 HA GLU A 81 4.912 -1.953 -13.927 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.361 -0.174 -14.845 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.813 0.076 -13.200 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.514 0.176 -12.825 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.408 0.778 -14.468 1.00 0.00 H new ATOM 1277 N GLU A 82 5.120 -2.278 -11.367 1.00 0.00 N ATOM 1278 CA GLU A 82 5.184 -2.565 -9.929 1.00 0.00 C ATOM 1279 C GLU A 82 5.079 -1.311 -9.063 1.00 0.00 C ATOM 1280 O GLU A 82 5.617 -0.254 -9.395 1.00 0.00 O ATOM 1281 CB GLU A 82 6.483 -3.296 -9.589 1.00 0.00 C ATOM 1282 CG GLU A 82 6.592 -4.679 -10.207 1.00 0.00 C ATOM 1283 CD GLU A 82 8.029 -5.073 -10.489 1.00 0.00 C ATOM 1284 OE1 GLU A 82 8.529 -4.747 -11.586 1.00 0.00 O ATOM 1285 OE2 GLU A 82 8.655 -5.703 -9.611 1.00 0.00 O ATOM 0 H GLU A 82 6.016 -2.335 -11.851 1.00 0.00 H new ATOM 0 HA GLU A 82 4.322 -3.194 -9.706 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.326 -2.692 -9.924 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.565 -3.386 -8.506 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.142 -5.411 -9.536 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.022 -4.705 -11.136 1.00 0.00 H new ATOM 1292 N PHE A 83 4.351 -1.451 -7.962 1.00 0.00 N ATOM 1293 CA PHE A 83 4.112 -0.356 -7.026 1.00 0.00 C ATOM 1294 C PHE A 83 4.714 -0.589 -5.632 1.00 0.00 C ATOM 1295 O PHE A 83 5.239 -1.654 -5.311 1.00 0.00 O ATOM 1296 CB PHE A 83 2.608 -0.069 -6.899 1.00 0.00 C ATOM 1297 CG PHE A 83 2.058 0.858 -7.956 1.00 0.00 C ATOM 1298 CD1 PHE A 83 2.867 1.359 -8.968 1.00 0.00 C ATOM 1299 CD2 PHE A 83 0.724 1.234 -7.932 1.00 0.00 C ATOM 1300 CE1 PHE A 83 2.357 2.211 -9.927 1.00 0.00 C ATOM 1301 CE2 PHE A 83 0.209 2.086 -8.888 1.00 0.00 C ATOM 1302 CZ PHE A 83 1.027 2.575 -9.887 1.00 0.00 C ATOM 0 H PHE A 83 3.908 -2.329 -7.691 1.00 0.00 H new ATOM 0 HA PHE A 83 4.624 0.509 -7.448 1.00 0.00 H new ATOM 0 HB2 PHE A 83 2.065 -1.013 -6.943 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.415 0.364 -5.917 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.909 1.078 -9.005 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.078 0.855 -7.154 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.999 2.592 -10.708 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.833 2.370 -8.855 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.626 3.242 -10.636 1.00 0.00 H new ATOM 1312 N LEU A 84 4.573 0.460 -4.827 1.00 0.00 N ATOM 1313 CA LEU A 84 5.029 0.484 -3.433 1.00 0.00 C ATOM 1314 C LEU A 84 3.841 0.780 -2.515 1.00 0.00 C ATOM 1315 O LEU A 84 3.068 1.703 -2.770 1.00 0.00 O ATOM 1316 CB LEU A 84 6.142 1.530 -3.252 1.00 0.00 C ATOM 1317 CG LEU A 84 6.841 1.574 -1.883 1.00 0.00 C ATOM 1318 CD1 LEU A 84 6.010 2.349 -0.874 1.00 0.00 C ATOM 1319 CD2 LEU A 84 7.138 0.178 -1.364 1.00 0.00 C ATOM 0 H LEU A 84 4.133 1.331 -5.125 1.00 0.00 H new ATOM 0 HA LEU A 84 5.442 -0.490 -3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.901 1.353 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.717 2.515 -3.447 1.00 0.00 H new ATOM 0 HG LEU A 84 7.791 2.090 -2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.526 2.366 0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.868 3.370 -1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.039 1.868 -0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.632 0.248 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.206 -0.376 -1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.790 -0.341 -2.067 1.00 0.00 H new ATOM 1331 N ILE A 85 3.670 -0.041 -1.479 1.00 0.00 N ATOM 1332 CA ILE A 85 2.513 0.157 -0.599 1.00 0.00 C ATOM 1333 C ILE A 85 2.830 0.080 0.907 1.00 0.00 C ATOM 1334 O ILE A 85 2.984 -0.999 1.473 1.00 0.00 O ATOM 1335 CB ILE A 85 1.386 -0.845 -0.946 1.00 0.00 C ATOM 1336 CG1 ILE A 85 0.981 -0.696 -2.417 1.00 0.00 C ATOM 1337 CG2 ILE A 85 0.177 -0.633 -0.044 1.00 0.00 C ATOM 1338 CD1 ILE A 85 0.203 -1.875 -2.963 1.00 0.00 C ATOM 0 H ILE A 85 4.285 -0.816 -1.233 1.00 0.00 H new ATOM 0 HA ILE A 85 2.186 1.180 -0.787 1.00 0.00 H new ATOM 0 HB ILE A 85 1.763 -1.855 -0.782 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.380 0.206 -2.528 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.879 -0.556 -3.018 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.602 -1.348 -0.306 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.469 -0.779 0.996 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.202 0.381 -0.175 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.046 -1.694 -4.008 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.809 -2.778 -2.886 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.714 -2.003 -2.388 1.00 0.00 H new ATOM 1350 N ALA A 86 2.743 1.254 1.545 1.00 0.00 N ATOM 1351 CA ALA A 86 2.826 1.398 3.010 1.00 0.00 C ATOM 1352 C ALA A 86 1.364 1.469 3.467 1.00 0.00 C ATOM 1353 O ALA A 86 0.617 2.370 3.088 1.00 0.00 O ATOM 1354 CB ALA A 86 3.609 2.640 3.408 1.00 0.00 C ATOM 0 H ALA A 86 2.612 2.140 1.058 1.00 0.00 H new ATOM 0 HA ALA A 86 3.361 0.572 3.479 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.649 2.712 4.495 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.622 2.574 3.011 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.118 3.525 3.003 1.00 0.00 H new ATOM 1360 N GLY A 87 0.994 0.508 4.326 1.00 0.00 N ATOM 1361 CA GLY A 87 -0.347 0.439 4.896 1.00 0.00 C ATOM 1362 C GLY A 87 -0.437 -0.537 6.080 1.00 0.00 C ATOM 1363 O GLY A 87 0.242 -1.560 6.097 1.00 0.00 O ATOM 0 H GLY A 87 1.617 -0.236 4.640 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -0.649 1.433 5.226 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.051 0.132 4.123 1.00 0.00 H new ATOM 1367 N LYS A 88 -1.287 -0.210 7.061 1.00 0.00 N ATOM 1368 CA LYS A 88 -1.508 -1.034 8.258 1.00 0.00 C ATOM 1369 C LYS A 88 -2.528 -2.134 7.964 1.00 0.00 C ATOM 1370 O LYS A 88 -3.096 -2.175 6.872 1.00 0.00 O ATOM 1371 CB LYS A 88 -1.987 -0.188 9.450 1.00 0.00 C ATOM 1372 CG LYS A 88 -0.998 0.868 9.917 1.00 0.00 C ATOM 1373 CD LYS A 88 -1.474 1.593 11.166 1.00 0.00 C ATOM 1374 CE LYS A 88 -1.887 3.025 10.864 1.00 0.00 C ATOM 1375 NZ LYS A 88 -1.206 4.005 11.756 1.00 0.00 N ATOM 0 H LYS A 88 -1.847 0.643 7.047 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.552 -1.485 8.525 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.921 0.304 9.177 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.209 -0.853 10.285 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.035 0.398 10.117 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.839 1.592 9.118 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.317 1.055 11.600 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.679 1.593 11.912 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.653 3.258 9.825 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.967 3.122 10.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.542 4.965 11.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.422 3.780 12.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.178 3.956 11.605 1.00 0.00 H new ATOM 1389 N LEU A 89 -2.776 -3.021 8.932 1.00 0.00 N ATOM 1390 CA LEU A 89 -3.744 -4.107 8.751 1.00 0.00 C ATOM 1391 C LEU A 89 -4.933 -3.975 9.707 1.00 0.00 C ATOM 1392 O LEU A 89 -4.762 -4.000 10.926 1.00 0.00 O ATOM 1393 CB LEU A 89 -3.072 -5.463 8.986 1.00 0.00 C ATOM 1394 CG LEU A 89 -2.506 -6.136 7.741 1.00 0.00 C ATOM 1395 CD1 LEU A 89 -1.935 -7.504 8.081 1.00 0.00 C ATOM 1396 CD2 LEU A 89 -3.572 -6.266 6.670 1.00 0.00 C ATOM 0 H LEU A 89 -2.322 -3.009 9.845 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.111 -4.041 7.727 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.264 -5.329 9.705 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.798 -6.135 9.443 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.701 -5.510 7.356 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.536 -7.967 7.178 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.136 -7.393 8.815 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.722 -8.134 8.494 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.147 -6.749 5.790 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.398 -6.867 7.050 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.938 -5.276 6.399 1.00 0.00 H new ATOM 1408 N GLN A 90 -6.138 -3.862 9.152 1.00 0.00 N ATOM 1409 CA GLN A 90 -7.348 -3.763 9.964 1.00 0.00 C ATOM 1410 C GLN A 90 -8.030 -5.127 10.043 1.00 0.00 C ATOM 1411 O GLN A 90 -8.525 -5.657 9.048 1.00 0.00 O ATOM 1412 CB GLN A 90 -8.297 -2.707 9.411 1.00 0.00 C ATOM 1413 CG GLN A 90 -8.199 -1.372 10.132 1.00 0.00 C ATOM 1414 CD GLN A 90 -9.239 -1.220 11.223 1.00 0.00 C ATOM 1415 OE1 GLN A 90 -10.415 -1.527 11.022 1.00 0.00 O ATOM 1416 NE2 GLN A 90 -8.812 -0.742 12.385 1.00 0.00 N ATOM 0 H GLN A 90 -6.302 -3.837 8.146 1.00 0.00 H new ATOM 0 HA GLN A 90 -7.068 -3.452 10.971 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -8.085 -2.557 8.353 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -9.320 -3.076 9.482 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.205 -1.270 10.567 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.315 -0.564 9.410 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.828 -0.501 12.507 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.467 -0.616 13.156 1.00 0.00 H new ATOM 1425 N ASP A 91 -8.090 -5.643 11.259 1.00 0.00 N ATOM 1426 CA ASP A 91 -8.761 -6.915 11.529 1.00 0.00 C ATOM 1427 C ASP A 91 -8.475 -8.000 10.485 1.00 0.00 C ATOM 1428 O ASP A 91 -9.330 -8.845 10.216 1.00 0.00 O ATOM 1429 CB ASP A 91 -10.269 -6.688 11.642 1.00 0.00 C ATOM 1430 CG ASP A 91 -10.701 -6.380 13.064 1.00 0.00 C ATOM 1431 OD1 ASP A 91 -10.548 -7.262 13.936 1.00 0.00 O ATOM 1432 OD2 ASP A 91 -11.193 -5.258 13.304 1.00 0.00 O ATOM 0 H ASP A 91 -7.681 -5.202 12.083 1.00 0.00 H new ATOM 0 HA ASP A 91 -8.355 -7.284 12.471 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -10.560 -5.864 10.990 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -10.795 -7.575 11.289 1.00 0.00 H new ATOM 1437 N GLY A 92 -7.269 -8.000 9.932 1.00 0.00 N ATOM 1438 CA GLY A 92 -6.935 -9.037 8.967 1.00 0.00 C ATOM 1439 C GLY A 92 -6.756 -8.568 7.529 1.00 0.00 C ATOM 1440 O GLY A 92 -6.263 -9.323 6.691 1.00 0.00 O ATOM 0 H GLY A 92 -6.532 -7.322 10.125 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -6.014 -9.524 9.288 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.719 -9.794 8.988 1.00 0.00 H new ATOM 1444 N LEU A 93 -7.186 -7.343 7.224 1.00 0.00 N ATOM 1445 CA LEU A 93 -7.097 -6.827 5.855 1.00 0.00 C ATOM 1446 C LEU A 93 -6.313 -5.527 5.771 1.00 0.00 C ATOM 1447 O LEU A 93 -6.239 -4.765 6.736 1.00 0.00 O ATOM 1448 CB LEU A 93 -8.496 -6.594 5.274 1.00 0.00 C ATOM 1449 CG LEU A 93 -9.511 -7.732 5.451 1.00 0.00 C ATOM 1450 CD1 LEU A 93 -8.914 -9.076 5.059 1.00 0.00 C ATOM 1451 CD2 LEU A 93 -10.039 -7.768 6.876 1.00 0.00 C ATOM 0 H LEU A 93 -7.595 -6.695 7.897 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.567 -7.584 5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.909 -5.695 5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.393 -6.392 4.208 1.00 0.00 H new ATOM 0 HG LEU A 93 -10.348 -7.536 4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.659 -9.859 5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.607 -9.047 4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.047 -9.286 5.686 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.757 -8.582 6.978 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.211 -7.926 7.567 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.529 -6.822 7.107 1.00 0.00 H new ATOM 1463 N LEU A 94 -5.736 -5.274 4.598 1.00 0.00 N ATOM 1464 CA LEU A 94 -4.967 -4.067 4.365 1.00 0.00 C ATOM 1465 C LEU A 94 -5.887 -2.864 4.266 1.00 0.00 C ATOM 1466 O LEU A 94 -7.048 -2.981 3.875 1.00 0.00 O ATOM 1467 CB LEU A 94 -4.122 -4.207 3.090 1.00 0.00 C ATOM 1468 CG LEU A 94 -3.351 -2.951 2.652 1.00 0.00 C ATOM 1469 CD1 LEU A 94 -2.511 -2.390 3.791 1.00 0.00 C ATOM 1470 CD2 LEU A 94 -2.461 -3.265 1.460 1.00 0.00 C ATOM 0 H LEU A 94 -5.791 -5.898 3.793 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.294 -3.917 5.209 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.406 -5.015 3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.778 -4.509 2.274 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.083 -2.196 2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.979 -1.503 3.448 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.160 -2.124 4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.792 -3.141 4.117 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.922 -2.366 1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.747 -4.042 1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.075 -3.612 0.629 1.00 0.00 H new ATOM 1482 N HIS A 95 -5.338 -1.704 4.569 1.00 0.00 N ATOM 1483 CA HIS A 95 -6.074 -0.467 4.467 1.00 0.00 C ATOM 1484 C HIS A 95 -5.153 0.601 3.923 1.00 0.00 C ATOM 1485 O HIS A 95 -3.969 0.634 4.256 1.00 0.00 O ATOM 1486 CB HIS A 95 -6.660 -0.050 5.812 1.00 0.00 C ATOM 1487 CG HIS A 95 -7.947 -0.741 6.129 1.00 0.00 C ATOM 1488 ND1 HIS A 95 -8.227 -2.053 6.297 1.00 0.00 N flip ATOM 1489 CD2 HIS A 95 -9.139 -0.070 6.307 1.00 0.00 C flip ATOM 1490 CE1 HIS A 95 -9.569 -2.150 6.573 1.00 0.00 C flip ATOM 1491 NE2 HIS A 95 -10.097 -0.940 6.574 1.00 0.00 N flip ATOM 0 H HIS A 95 -4.376 -1.596 4.890 1.00 0.00 H new ATOM 0 HA HIS A 95 -6.916 -0.607 3.789 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.936 -0.263 6.599 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.823 1.028 5.812 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -9.269 1.000 6.239 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -10.106 -3.068 6.759 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -11.076 -0.715 6.751 1.00 0.00 H new ATOM 1500 N ILE A 96 -5.684 1.464 3.081 1.00 0.00 N ATOM 1501 CA ILE A 96 -4.865 2.515 2.499 1.00 0.00 C ATOM 1502 C ILE A 96 -5.586 3.841 2.504 1.00 0.00 C ATOM 1503 O ILE A 96 -6.815 3.902 2.467 1.00 0.00 O ATOM 1504 CB ILE A 96 -4.420 2.189 1.063 1.00 0.00 C ATOM 1505 CG1 ILE A 96 -5.634 1.942 0.171 1.00 0.00 C ATOM 1506 CG2 ILE A 96 -3.468 0.999 1.051 1.00 0.00 C ATOM 1507 CD1 ILE A 96 -6.288 0.600 0.371 1.00 0.00 C ATOM 0 H ILE A 96 -6.661 1.463 2.787 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.976 2.582 3.126 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.880 3.047 0.662 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -6.371 2.723 0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -5.329 2.032 -0.871 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.166 0.785 0.026 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.587 1.232 1.648 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.970 0.127 1.470 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -7.141 0.507 -0.301 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -5.569 -0.191 0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -6.628 0.511 1.403 1.00 0.00 H new ATOM 1519 N THR A 97 -4.806 4.902 2.573 1.00 0.00 N ATOM 1520 CA THR A 97 -5.352 6.239 2.609 1.00 0.00 C ATOM 1521 C THR A 97 -4.496 7.196 1.791 1.00 0.00 C ATOM 1522 O THR A 97 -3.273 7.088 1.767 1.00 0.00 O ATOM 1523 CB THR A 97 -5.427 6.704 4.067 1.00 0.00 C ATOM 1524 OG1 THR A 97 -4.205 6.439 4.734 1.00 0.00 O ATOM 1525 CG2 THR A 97 -6.523 6.023 4.857 1.00 0.00 C ATOM 0 H THR A 97 -3.787 4.860 2.605 1.00 0.00 H new ATOM 0 HA THR A 97 -6.351 6.232 2.173 1.00 0.00 H new ATOM 0 HB THR A 97 -5.639 7.772 4.020 1.00 0.00 H new ATOM 0 HG1 THR A 97 -4.267 6.743 5.664 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.521 6.398 5.880 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.488 6.233 4.396 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.351 4.947 4.865 1.00 0.00 H new ATOM 1533 N THR A 98 -5.147 8.136 1.120 1.00 0.00 N ATOM 1534 CA THR A 98 -4.446 9.121 0.300 1.00 0.00 C ATOM 1535 C THR A 98 -3.466 9.955 1.141 1.00 0.00 C ATOM 1536 O THR A 98 -2.698 10.756 0.610 1.00 0.00 O ATOM 1537 CB THR A 98 -5.454 10.015 -0.412 1.00 0.00 C ATOM 1538 OG1 THR A 98 -5.963 10.982 0.473 1.00 0.00 O ATOM 1539 CG2 THR A 98 -6.629 9.252 -0.985 1.00 0.00 C ATOM 0 H THR A 98 -6.162 8.239 1.126 1.00 0.00 H new ATOM 0 HA THR A 98 -3.858 8.590 -0.448 1.00 0.00 H new ATOM 0 HB THR A 98 -4.908 10.477 -1.235 1.00 0.00 H new ATOM 0 HG1 THR A 98 -6.608 11.550 0.002 1.00 0.00 H new ATOM 0 HG21 THR A 98 -7.309 9.947 -1.478 1.00 0.00 H new ATOM 0 HG22 THR A 98 -6.270 8.521 -1.709 1.00 0.00 H new ATOM 0 HG23 THR A 98 -7.156 8.738 -0.181 1.00 0.00 H new ATOM 1547 N CYS A 99 -3.459 9.696 2.446 1.00 0.00 N ATOM 1548 CA CYS A 99 -2.527 10.351 3.352 1.00 0.00 C ATOM 1549 C CYS A 99 -1.542 9.314 3.877 1.00 0.00 C ATOM 1550 O CYS A 99 -0.992 9.442 4.974 1.00 0.00 O ATOM 1551 CB CYS A 99 -3.240 11.086 4.490 1.00 0.00 C ATOM 1552 SG CYS A 99 -3.870 12.710 4.010 1.00 0.00 S ATOM 0 H CYS A 99 -4.091 9.035 2.898 1.00 0.00 H new ATOM 0 HA CYS A 99 -1.984 11.120 2.802 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -4.069 10.473 4.846 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -2.550 11.204 5.325 1.00 0.00 H new ATOM 1557 N SER A 100 -1.307 8.299 3.039 1.00 0.00 N ATOM 1558 CA SER A 100 -0.368 7.222 3.333 1.00 0.00 C ATOM 1559 C SER A 100 0.678 7.155 2.224 1.00 0.00 C ATOM 1560 O SER A 100 0.425 7.611 1.107 1.00 0.00 O ATOM 1561 CB SER A 100 -1.095 5.877 3.450 1.00 0.00 C ATOM 1562 OG SER A 100 -1.194 5.466 4.803 1.00 0.00 O ATOM 0 H SER A 100 -1.768 8.205 2.134 1.00 0.00 H new ATOM 0 HA SER A 100 0.116 7.427 4.288 1.00 0.00 H new ATOM 0 HB2 SER A 100 -2.092 5.961 3.018 1.00 0.00 H new ATOM 0 HB3 SER A 100 -0.561 5.120 2.875 1.00 0.00 H new ATOM 0 HG SER A 100 -2.099 5.645 5.134 1.00 0.00 H new ATOM 1568 N PHE A 101 1.842 6.590 2.514 1.00 0.00 N ATOM 1569 CA PHE A 101 2.885 6.488 1.498 1.00 0.00 C ATOM 1570 C PHE A 101 2.567 5.366 0.508 1.00 0.00 C ATOM 1571 O PHE A 101 2.643 4.187 0.855 1.00 0.00 O ATOM 1572 CB PHE A 101 4.257 6.263 2.133 1.00 0.00 C ATOM 1573 CG PHE A 101 5.400 6.554 1.202 1.00 0.00 C ATOM 1574 CD1 PHE A 101 5.596 5.791 0.061 1.00 0.00 C ATOM 1575 CD2 PHE A 101 6.277 7.595 1.465 1.00 0.00 C ATOM 1576 CE1 PHE A 101 6.644 6.062 -0.799 1.00 0.00 C ATOM 1577 CE2 PHE A 101 7.327 7.870 0.608 1.00 0.00 C ATOM 1578 CZ PHE A 101 7.510 7.103 -0.525 1.00 0.00 C ATOM 0 H PHE A 101 2.087 6.202 3.425 1.00 0.00 H new ATOM 0 HA PHE A 101 2.914 7.434 0.956 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.348 6.894 3.017 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.328 5.229 2.471 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.922 4.976 -0.158 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.139 8.199 2.350 1.00 0.00 H new ATOM 0 HE1 PHE A 101 6.786 5.460 -1.685 1.00 0.00 H new ATOM 0 HE2 PHE A 101 8.003 8.684 0.825 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.329 7.316 -1.196 1.00 0.00 H new ATOM 1588 N VAL A 102 2.201 5.734 -0.722 1.00 0.00 N ATOM 1589 CA VAL A 102 1.861 4.738 -1.744 1.00 0.00 C ATOM 1590 C VAL A 102 2.205 5.215 -3.159 1.00 0.00 C ATOM 1591 O VAL A 102 1.515 6.070 -3.716 1.00 0.00 O ATOM 1592 CB VAL A 102 0.357 4.372 -1.717 1.00 0.00 C ATOM 1593 CG1 VAL A 102 0.132 3.031 -2.398 1.00 0.00 C ATOM 1594 CG2 VAL A 102 -0.193 4.348 -0.294 1.00 0.00 C ATOM 0 H VAL A 102 2.132 6.703 -1.034 1.00 0.00 H new ATOM 0 HA VAL A 102 2.461 3.861 -1.500 1.00 0.00 H new ATOM 0 HB VAL A 102 -0.184 5.145 -2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.929 2.784 -2.373 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.467 3.088 -3.434 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.697 2.259 -1.876 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.251 4.087 -0.317 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.350 3.608 0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -0.072 5.332 0.160 1.00 0.00 H new ATOM 1604 N ALA A 103 3.273 4.662 -3.741 1.00 0.00 N ATOM 1605 CA ALA A 103 3.683 5.052 -5.099 1.00 0.00 C ATOM 1606 C ALA A 103 4.595 4.008 -5.761 1.00 0.00 C ATOM 1607 O ALA A 103 4.981 3.026 -5.138 1.00 0.00 O ATOM 1608 CB ALA A 103 4.364 6.413 -5.073 1.00 0.00 C ATOM 0 H ALA A 103 3.863 3.954 -3.304 1.00 0.00 H new ATOM 0 HA ALA A 103 2.778 5.112 -5.703 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.662 6.690 -6.084 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.672 7.159 -4.682 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.246 6.366 -4.434 1.00 0.00 H new ATOM 1614 N PRO A 104 4.932 4.203 -7.057 1.00 0.00 N ATOM 1615 CA PRO A 104 5.781 3.273 -7.818 1.00 0.00 C ATOM 1616 C PRO A 104 7.125 2.991 -7.213 1.00 0.00 C ATOM 1617 O PRO A 104 7.955 3.891 -7.073 1.00 0.00 O ATOM 1618 CB PRO A 104 6.039 4.002 -9.131 1.00 0.00 C ATOM 1619 CG PRO A 104 4.858 4.888 -9.297 1.00 0.00 C ATOM 1620 CD PRO A 104 4.489 5.333 -7.901 1.00 0.00 C ATOM 0 HA PRO A 104 5.272 2.311 -7.879 1.00 0.00 H new ATOM 0 HB2 PRO A 104 6.965 4.576 -9.092 1.00 0.00 H new ATOM 0 HB3 PRO A 104 6.132 3.303 -9.962 1.00 0.00 H new ATOM 0 HG2 PRO A 104 5.094 5.742 -9.932 1.00 0.00 H new ATOM 0 HG3 PRO A 104 4.032 4.357 -9.771 1.00 0.00 H new ATOM 0 HD2 PRO A 104 4.992 6.261 -7.628 1.00 0.00 H new ATOM 0 HD3 PRO A 104 3.418 5.511 -7.805 1.00 0.00 H new ATOM 1628 N TRP A 105 7.379 1.722 -6.953 1.00 0.00 N ATOM 1629 CA TRP A 105 8.679 1.317 -6.486 1.00 0.00 C ATOM 1630 C TRP A 105 9.673 1.954 -7.419 1.00 0.00 C ATOM 1631 O TRP A 105 10.636 2.599 -7.012 1.00 0.00 O ATOM 1632 CB TRP A 105 8.802 -0.188 -6.625 1.00 0.00 C ATOM 1633 CG TRP A 105 9.988 -0.787 -5.965 1.00 0.00 C ATOM 1634 CD1 TRP A 105 10.933 -1.541 -6.574 1.00 0.00 C ATOM 1635 CD2 TRP A 105 10.352 -0.713 -4.583 1.00 0.00 C ATOM 1636 NE1 TRP A 105 11.877 -1.930 -5.672 1.00 0.00 N ATOM 1637 CE2 TRP A 105 11.544 -1.439 -4.436 1.00 0.00 C ATOM 1638 CE3 TRP A 105 9.798 -0.100 -3.457 1.00 0.00 C ATOM 1639 CZ2 TRP A 105 12.191 -1.573 -3.212 1.00 0.00 C ATOM 1640 CZ3 TRP A 105 10.442 -0.235 -2.241 1.00 0.00 C ATOM 1641 CH2 TRP A 105 11.629 -0.969 -2.130 1.00 0.00 C ATOM 0 H TRP A 105 6.704 0.964 -7.058 1.00 0.00 H new ATOM 0 HA TRP A 105 8.841 1.605 -5.447 1.00 0.00 H new ATOM 0 HB2 TRP A 105 7.905 -0.650 -6.213 1.00 0.00 H new ATOM 0 HB3 TRP A 105 8.831 -0.438 -7.686 1.00 0.00 H new ATOM 0 HD1 TRP A 105 10.938 -1.797 -7.623 1.00 0.00 H new ATOM 0 HE1 TRP A 105 12.699 -2.496 -5.882 1.00 0.00 H new ATOM 0 HE3 TRP A 105 8.883 0.469 -3.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 13.108 -2.137 -3.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 10.023 0.233 -1.363 1.00 0.00 H new ATOM 0 HH2 TRP A 105 12.108 -1.058 -1.166 1.00 0.00 H new ATOM 1652 N ASN A 106 9.409 1.722 -8.700 1.00 0.00 N ATOM 1653 CA ASN A 106 10.215 2.200 -9.795 1.00 0.00 C ATOM 1654 C ASN A 106 10.406 3.727 -9.848 1.00 0.00 C ATOM 1655 O ASN A 106 10.767 4.272 -10.892 1.00 0.00 O ATOM 1656 CB ASN A 106 9.663 1.698 -11.130 1.00 0.00 C ATOM 1657 CG ASN A 106 9.943 0.225 -11.348 1.00 0.00 C ATOM 1658 OD1 ASN A 106 11.079 -0.228 -11.214 1.00 0.00 O ATOM 1659 ND2 ASN A 106 8.906 -0.532 -11.688 1.00 0.00 N ATOM 0 H ASN A 106 8.601 1.179 -9.004 1.00 0.00 H new ATOM 0 HA ASN A 106 11.207 1.787 -9.611 1.00 0.00 H new ATOM 0 HB2 ASN A 106 8.587 1.870 -11.164 1.00 0.00 H new ATOM 0 HB3 ASN A 106 10.104 2.274 -11.943 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.035 -1.531 -11.849 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.981 -0.114 -11.788 1.00 0.00 H new ATOM 1666 N SER A 107 10.231 4.399 -8.721 1.00 0.00 N ATOM 1667 CA SER A 107 10.455 5.849 -8.634 1.00 0.00 C ATOM 1668 C SER A 107 11.350 6.176 -7.430 1.00 0.00 C ATOM 1669 O SER A 107 11.745 7.320 -7.204 1.00 0.00 O ATOM 1670 CB SER A 107 9.126 6.600 -8.532 1.00 0.00 C ATOM 1671 OG SER A 107 9.154 7.791 -9.298 1.00 0.00 O ATOM 0 H SER A 107 9.933 3.969 -7.845 1.00 0.00 H new ATOM 0 HA SER A 107 10.959 6.174 -9.544 1.00 0.00 H new ATOM 0 HB2 SER A 107 8.315 5.960 -8.879 1.00 0.00 H new ATOM 0 HB3 SER A 107 8.919 6.839 -7.489 1.00 0.00 H new ATOM 0 HG SER A 107 8.293 8.252 -9.218 1.00 0.00 H new ATOM 1677 N LEU A 108 11.619 5.134 -6.666 1.00 0.00 N ATOM 1678 CA LEU A 108 12.411 5.190 -5.463 1.00 0.00 C ATOM 1679 C LEU A 108 13.912 5.281 -5.715 1.00 0.00 C ATOM 1680 O LEU A 108 14.387 5.296 -6.852 1.00 0.00 O ATOM 1681 CB LEU A 108 12.100 3.944 -4.656 1.00 0.00 C ATOM 1682 CG LEU A 108 10.993 4.104 -3.616 1.00 0.00 C ATOM 1683 CD1 LEU A 108 9.639 4.228 -4.293 1.00 0.00 C ATOM 1684 CD2 LEU A 108 11.004 2.934 -2.646 1.00 0.00 C ATOM 0 H LEU A 108 11.278 4.196 -6.878 1.00 0.00 H new ATOM 0 HA LEU A 108 12.149 6.103 -4.929 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.819 3.146 -5.343 1.00 0.00 H new ATOM 0 HB3 LEU A 108 13.010 3.622 -4.149 1.00 0.00 H new ATOM 0 HG LEU A 108 11.177 5.019 -3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.863 4.341 -3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 108 9.638 5.100 -4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 108 9.443 3.332 -4.882 1.00 0.00 H new ATOM 0 HD21 LEU A 108 10.209 3.063 -1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 108 10.844 2.005 -3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 108 11.966 2.893 -2.136 1.00 0.00 H new ATOM 1696 N SER A 109 14.629 5.339 -4.603 1.00 0.00 N ATOM 1697 CA SER A 109 16.082 5.424 -4.594 1.00 0.00 C ATOM 1698 C SER A 109 16.704 4.065 -4.495 1.00 0.00 C ATOM 1699 O SER A 109 16.499 3.345 -3.532 1.00 0.00 O ATOM 1700 CB SER A 109 16.570 6.251 -3.411 1.00 0.00 C ATOM 1701 OG SER A 109 15.663 7.292 -3.094 1.00 0.00 O ATOM 0 H SER A 109 14.214 5.328 -3.671 1.00 0.00 H new ATOM 0 HA SER A 109 16.376 5.898 -5.531 1.00 0.00 H new ATOM 0 HB2 SER A 109 16.701 5.604 -2.543 1.00 0.00 H new ATOM 0 HB3 SER A 109 17.547 6.676 -3.642 1.00 0.00 H new ATOM 0 HG SER A 109 16.005 7.802 -2.330 1.00 0.00 H new ATOM 1707 N LEU A 110 17.456 3.728 -5.512 1.00 0.00 N ATOM 1708 CA LEU A 110 18.154 2.464 -5.586 1.00 0.00 C ATOM 1709 C LEU A 110 18.633 1.982 -4.218 1.00 0.00 C ATOM 1710 O LEU A 110 18.680 0.781 -3.952 1.00 0.00 O ATOM 1711 CB LEU A 110 19.347 2.643 -6.513 1.00 0.00 C ATOM 1712 CG LEU A 110 20.112 3.992 -6.458 1.00 0.00 C ATOM 1713 CD1 LEU A 110 19.667 4.913 -7.584 1.00 0.00 C ATOM 1714 CD2 LEU A 110 20.001 4.723 -5.136 1.00 0.00 C ATOM 0 H LEU A 110 17.604 4.329 -6.323 1.00 0.00 H new ATOM 0 HA LEU A 110 17.466 1.707 -5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 110 20.059 1.846 -6.300 1.00 0.00 H new ATOM 0 HB3 LEU A 110 19.001 2.496 -7.536 1.00 0.00 H new ATOM 0 HG LEU A 110 21.162 3.725 -6.577 1.00 0.00 H new ATOM 0 HD11 LEU A 110 20.217 5.852 -7.525 1.00 0.00 H new ATOM 0 HD12 LEU A 110 19.865 4.436 -8.544 1.00 0.00 H new ATOM 0 HD13 LEU A 110 18.599 5.111 -7.491 1.00 0.00 H new ATOM 0 HD21 LEU A 110 20.565 5.654 -5.187 1.00 0.00 H new ATOM 0 HD22 LEU A 110 18.954 4.944 -4.929 1.00 0.00 H new ATOM 0 HD23 LEU A 110 20.404 4.098 -4.339 1.00 0.00 H new ATOM 1726 N ALA A 111 18.941 2.926 -3.350 1.00 0.00 N ATOM 1727 CA ALA A 111 19.358 2.630 -2.004 1.00 0.00 C ATOM 1728 C ALA A 111 18.120 2.447 -1.169 1.00 0.00 C ATOM 1729 O ALA A 111 18.082 1.626 -0.260 1.00 0.00 O ATOM 1730 CB ALA A 111 20.251 3.723 -1.487 1.00 0.00 C ATOM 0 H ALA A 111 18.907 3.923 -3.565 1.00 0.00 H new ATOM 0 HA ALA A 111 19.945 1.712 -1.963 1.00 0.00 H new ATOM 0 HB1 ALA A 111 20.560 3.489 -0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 111 21.132 3.805 -2.124 1.00 0.00 H new ATOM 0 HB3 ALA A 111 19.709 4.669 -1.493 1.00 0.00 H new ATOM 1736 N GLN A 112 17.105 3.218 -1.492 1.00 0.00 N ATOM 1737 CA GLN A 112 15.841 3.175 -0.805 1.00 0.00 C ATOM 1738 C GLN A 112 14.987 2.080 -1.409 1.00 0.00 C ATOM 1739 O GLN A 112 13.950 1.702 -0.866 1.00 0.00 O ATOM 1740 CB GLN A 112 15.174 4.539 -0.985 1.00 0.00 C ATOM 1741 CG GLN A 112 13.837 4.683 -0.314 1.00 0.00 C ATOM 1742 CD GLN A 112 13.229 6.051 -0.545 1.00 0.00 C ATOM 1743 OE1 GLN A 112 12.202 6.183 -1.211 1.00 0.00 O ATOM 1744 NE2 GLN A 112 13.863 7.078 0.007 1.00 0.00 N ATOM 0 H GLN A 112 17.139 3.900 -2.250 1.00 0.00 H new ATOM 0 HA GLN A 112 15.971 2.963 0.256 1.00 0.00 H new ATOM 0 HB2 GLN A 112 15.843 5.308 -0.599 1.00 0.00 H new ATOM 0 HB3 GLN A 112 15.052 4.729 -2.051 1.00 0.00 H new ATOM 0 HG2 GLN A 112 13.159 3.917 -0.690 1.00 0.00 H new ATOM 0 HG3 GLN A 112 13.949 4.512 0.757 1.00 0.00 H new ATOM 0 HE21 GLN A 112 14.711 6.921 0.551 1.00 0.00 H new ATOM 0 HE22 GLN A 112 13.502 8.024 -0.113 1.00 0.00 H new ATOM 1753 N ARG A 113 15.551 1.456 -2.433 1.00 0.00 N ATOM 1754 CA ARG A 113 14.975 0.263 -3.003 1.00 0.00 C ATOM 1755 C ARG A 113 15.465 -0.835 -2.070 1.00 0.00 C ATOM 1756 O ARG A 113 14.728 -1.763 -1.743 1.00 0.00 O ATOM 1757 CB ARG A 113 15.480 0.048 -4.435 1.00 0.00 C ATOM 1758 CG ARG A 113 14.379 -0.234 -5.436 1.00 0.00 C ATOM 1759 CD ARG A 113 13.981 1.015 -6.202 1.00 0.00 C ATOM 1760 NE ARG A 113 14.547 1.028 -7.552 1.00 0.00 N ATOM 1761 CZ ARG A 113 14.262 0.120 -8.483 1.00 0.00 C ATOM 1762 NH1 ARG A 113 13.423 -0.867 -8.215 1.00 0.00 N ATOM 1763 NH2 ARG A 113 14.819 0.197 -9.683 1.00 0.00 N ATOM 0 H ARG A 113 16.413 1.765 -2.883 1.00 0.00 H new ATOM 0 HA ARG A 113 13.888 0.299 -3.080 1.00 0.00 H new ATOM 0 HB2 ARG A 113 16.029 0.934 -4.753 1.00 0.00 H new ATOM 0 HB3 ARG A 113 16.185 -0.783 -4.441 1.00 0.00 H new ATOM 0 HG2 ARG A 113 14.712 -1.000 -6.137 1.00 0.00 H new ATOM 0 HG3 ARG A 113 13.509 -0.635 -4.916 1.00 0.00 H new ATOM 0 HD2 ARG A 113 12.894 1.073 -6.263 1.00 0.00 H new ATOM 0 HD3 ARG A 113 14.318 1.898 -5.658 1.00 0.00 H new ATOM 0 HE ARG A 113 15.197 1.776 -7.793 1.00 0.00 H new ATOM 0 HH11 ARG A 113 12.992 -0.934 -7.293 1.00 0.00 H new ATOM 0 HH12 ARG A 113 13.207 -1.561 -8.931 1.00 0.00 H new ATOM 0 HH21 ARG A 113 15.469 0.954 -9.896 1.00 0.00 H new ATOM 0 HH22 ARG A 113 14.598 -0.501 -10.394 1.00 0.00 H new ATOM 1777 N ARG A 114 16.698 -0.694 -1.603 1.00 0.00 N ATOM 1778 CA ARG A 114 17.261 -1.644 -0.663 1.00 0.00 C ATOM 1779 C ARG A 114 16.734 -1.341 0.723 1.00 0.00 C ATOM 1780 O ARG A 114 16.135 -2.194 1.377 1.00 0.00 O ATOM 1781 CB ARG A 114 18.797 -1.590 -0.732 1.00 0.00 C ATOM 1782 CG ARG A 114 19.527 -0.945 0.444 1.00 0.00 C ATOM 1783 CD ARG A 114 19.504 -1.823 1.679 1.00 0.00 C ATOM 1784 NE ARG A 114 20.835 -2.327 2.013 1.00 0.00 N ATOM 1785 CZ ARG A 114 21.748 -1.625 2.683 1.00 0.00 C ATOM 1786 NH1 ARG A 114 21.479 -0.392 3.093 1.00 0.00 N ATOM 1787 NH2 ARG A 114 22.934 -2.158 2.941 1.00 0.00 N ATOM 0 H ARG A 114 17.324 0.069 -1.861 1.00 0.00 H new ATOM 0 HA ARG A 114 16.962 -2.661 -0.917 1.00 0.00 H new ATOM 0 HB2 ARG A 114 19.166 -2.610 -0.840 1.00 0.00 H new ATOM 0 HB3 ARG A 114 19.076 -1.052 -1.638 1.00 0.00 H new ATOM 0 HG2 ARG A 114 20.560 -0.743 0.162 1.00 0.00 H new ATOM 0 HG3 ARG A 114 19.066 0.016 0.674 1.00 0.00 H new ATOM 0 HD2 ARG A 114 19.109 -1.255 2.521 1.00 0.00 H new ATOM 0 HD3 ARG A 114 18.828 -2.662 1.515 1.00 0.00 H new ATOM 0 HE ARG A 114 21.079 -3.272 1.716 1.00 0.00 H new ATOM 0 HH11 ARG A 114 20.569 0.024 2.896 1.00 0.00 H new ATOM 0 HH12 ARG A 114 22.182 0.140 3.605 1.00 0.00 H new ATOM 0 HH21 ARG A 114 23.147 -3.105 2.627 1.00 0.00 H new ATOM 0 HH22 ARG A 114 23.634 -1.621 3.454 1.00 0.00 H new ATOM 1801 N GLY A 115 16.941 -0.112 1.157 1.00 0.00 N ATOM 1802 CA GLY A 115 16.465 0.291 2.446 1.00 0.00 C ATOM 1803 C GLY A 115 15.010 -0.077 2.654 1.00 0.00 C ATOM 1804 O GLY A 115 14.685 -0.707 3.656 1.00 0.00 O ATOM 0 H GLY A 115 17.433 0.612 0.633 1.00 0.00 H new ATOM 0 HA2 GLY A 115 17.072 -0.179 3.220 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.586 1.369 2.557 1.00 0.00 H new ATOM 1808 N PHE A 116 14.113 0.287 1.762 1.00 0.00 N ATOM 1809 CA PHE A 116 12.706 -0.079 1.995 1.00 0.00 C ATOM 1810 C PHE A 116 12.559 -1.576 2.207 1.00 0.00 C ATOM 1811 O PHE A 116 11.538 -2.047 2.706 1.00 0.00 O ATOM 1812 CB PHE A 116 11.772 0.351 0.856 1.00 0.00 C ATOM 1813 CG PHE A 116 11.086 1.670 1.047 1.00 0.00 C ATOM 1814 CD1 PHE A 116 11.762 2.852 0.869 1.00 0.00 C ATOM 1815 CD2 PHE A 116 9.742 1.714 1.388 1.00 0.00 C ATOM 1816 CE1 PHE A 116 11.117 4.065 1.030 1.00 0.00 C ATOM 1817 CE2 PHE A 116 9.093 2.920 1.555 1.00 0.00 C ATOM 1818 CZ PHE A 116 9.782 4.098 1.376 1.00 0.00 C ATOM 0 H PHE A 116 14.303 0.809 0.907 1.00 0.00 H new ATOM 0 HA PHE A 116 12.410 0.461 2.895 1.00 0.00 H new ATOM 0 HB2 PHE A 116 12.349 0.392 -0.068 1.00 0.00 H new ATOM 0 HB3 PHE A 116 11.011 -0.418 0.723 1.00 0.00 H new ATOM 0 HD1 PHE A 116 12.808 2.834 0.601 1.00 0.00 H new ATOM 0 HD2 PHE A 116 9.196 0.792 1.525 1.00 0.00 H new ATOM 0 HE1 PHE A 116 11.659 4.988 0.885 1.00 0.00 H new ATOM 0 HE2 PHE A 116 8.048 2.940 1.825 1.00 0.00 H new ATOM 0 HZ PHE A 116 9.279 5.045 1.506 1.00 0.00 H new ATOM 1828 N THR A 117 13.611 -2.304 1.891 1.00 0.00 N ATOM 1829 CA THR A 117 13.635 -3.730 2.092 1.00 0.00 C ATOM 1830 C THR A 117 14.335 -4.056 3.423 1.00 0.00 C ATOM 1831 O THR A 117 14.166 -5.147 3.968 1.00 0.00 O ATOM 1832 CB THR A 117 14.294 -4.405 0.869 1.00 0.00 C ATOM 1833 OG1 THR A 117 13.496 -5.475 0.394 1.00 0.00 O ATOM 1834 CG2 THR A 117 15.689 -4.953 1.096 1.00 0.00 C ATOM 0 H THR A 117 14.467 -1.922 1.490 1.00 0.00 H new ATOM 0 HA THR A 117 12.624 -4.129 2.170 1.00 0.00 H new ATOM 0 HB THR A 117 14.377 -3.594 0.146 1.00 0.00 H new ATOM 0 HG1 THR A 117 12.655 -5.122 0.035 1.00 0.00 H new ATOM 0 HG21 THR A 117 16.057 -5.405 0.175 1.00 0.00 H new ATOM 0 HG22 THR A 117 16.354 -4.143 1.394 1.00 0.00 H new ATOM 0 HG23 THR A 117 15.660 -5.707 1.883 1.00 0.00 H new ATOM 1842 N LYS A 118 15.136 -3.102 3.935 1.00 0.00 N ATOM 1843 CA LYS A 118 15.863 -3.308 5.192 1.00 0.00 C ATOM 1844 C LYS A 118 15.909 -2.073 6.132 1.00 0.00 C ATOM 1845 O LYS A 118 16.010 -2.221 7.351 1.00 0.00 O ATOM 1846 CB LYS A 118 17.295 -3.753 4.861 1.00 0.00 C ATOM 1847 CG LYS A 118 18.253 -2.610 4.546 1.00 0.00 C ATOM 1848 CD LYS A 118 19.183 -2.314 5.713 1.00 0.00 C ATOM 1849 CE LYS A 118 19.412 -0.820 5.873 1.00 0.00 C ATOM 1850 NZ LYS A 118 20.380 -0.514 6.961 1.00 0.00 N ATOM 0 H LYS A 118 15.292 -2.193 3.500 1.00 0.00 H new ATOM 0 HA LYS A 118 15.313 -4.070 5.743 1.00 0.00 H new ATOM 0 HB2 LYS A 118 17.690 -4.320 5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 118 17.264 -4.430 4.008 1.00 0.00 H new ATOM 0 HG2 LYS A 118 18.844 -2.863 3.666 1.00 0.00 H new ATOM 0 HG3 LYS A 118 17.682 -1.715 4.300 1.00 0.00 H new ATOM 0 HD2 LYS A 118 18.758 -2.719 6.631 1.00 0.00 H new ATOM 0 HD3 LYS A 118 20.138 -2.815 5.556 1.00 0.00 H new ATOM 0 HE2 LYS A 118 19.781 -0.408 4.934 1.00 0.00 H new ATOM 0 HE3 LYS A 118 18.462 -0.329 6.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 20.506 0.516 7.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 20.017 -0.884 7.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 21.295 -0.960 6.747 1.00 0.00 H new ATOM 1864 N THR A 119 15.947 -0.877 5.548 1.00 0.00 N ATOM 1865 CA THR A 119 16.113 0.388 6.298 1.00 0.00 C ATOM 1866 C THR A 119 14.942 0.943 7.071 1.00 0.00 C ATOM 1867 O THR A 119 15.165 1.647 8.058 1.00 0.00 O ATOM 1868 CB THR A 119 16.412 1.542 5.346 1.00 0.00 C ATOM 1869 OG1 THR A 119 15.637 1.439 4.191 1.00 0.00 O ATOM 1870 CG2 THR A 119 17.857 1.692 4.932 1.00 0.00 C ATOM 0 H THR A 119 15.864 -0.747 4.540 1.00 0.00 H new ATOM 0 HA THR A 119 16.894 0.084 6.995 1.00 0.00 H new ATOM 0 HB THR A 119 16.163 2.430 5.927 1.00 0.00 H new ATOM 0 HG1 THR A 119 15.085 2.243 4.095 1.00 0.00 H new ATOM 0 HG21 THR A 119 17.956 2.542 4.256 1.00 0.00 H new ATOM 0 HG22 THR A 119 18.473 1.858 5.816 1.00 0.00 H new ATOM 0 HG23 THR A 119 18.186 0.785 4.425 1.00 0.00 H new ATOM 1878 N TYR A 120 13.728 0.824 6.576 1.00 0.00 N ATOM 1879 CA TYR A 120 12.656 1.546 7.213 1.00 0.00 C ATOM 1880 C TYR A 120 11.955 0.883 8.374 1.00 0.00 C ATOM 1881 O TYR A 120 10.897 1.347 8.785 1.00 0.00 O ATOM 1882 CB TYR A 120 11.622 1.938 6.183 1.00 0.00 C ATOM 1883 CG TYR A 120 12.099 2.909 5.145 1.00 0.00 C ATOM 1884 CD1 TYR A 120 13.023 2.538 4.187 1.00 0.00 C ATOM 1885 CD2 TYR A 120 11.611 4.204 5.124 1.00 0.00 C ATOM 1886 CE1 TYR A 120 13.457 3.433 3.237 1.00 0.00 C ATOM 1887 CE2 TYR A 120 12.043 5.105 4.180 1.00 0.00 C ATOM 1888 CZ TYR A 120 12.967 4.715 3.241 1.00 0.00 C ATOM 1889 OH TYR A 120 13.415 5.615 2.310 1.00 0.00 O ATOM 0 H TYR A 120 13.468 0.258 5.768 1.00 0.00 H new ATOM 0 HA TYR A 120 13.164 2.401 7.658 1.00 0.00 H new ATOM 0 HB2 TYR A 120 11.271 1.036 5.681 1.00 0.00 H new ATOM 0 HB3 TYR A 120 10.764 2.371 6.698 1.00 0.00 H new ATOM 0 HD1 TYR A 120 13.410 1.530 4.184 1.00 0.00 H new ATOM 0 HD2 TYR A 120 10.881 4.511 5.859 1.00 0.00 H new ATOM 0 HE1 TYR A 120 14.178 3.129 2.493 1.00 0.00 H new ATOM 0 HE2 TYR A 120 11.658 6.114 4.176 1.00 0.00 H new ATOM 0 HH TYR A 120 14.386 5.717 2.395 1.00 0.00 H new ATOM 1899 N THR A 121 12.520 -0.142 8.948 1.00 0.00 N ATOM 1900 CA THR A 121 11.875 -0.730 10.099 1.00 0.00 C ATOM 1901 C THR A 121 12.257 0.120 11.304 1.00 0.00 C ATOM 1902 O THR A 121 11.458 0.700 12.039 1.00 0.00 O ATOM 1903 CB THR A 121 12.234 -2.204 10.269 1.00 0.00 C ATOM 1904 OG1 THR A 121 13.121 -2.401 11.354 1.00 0.00 O ATOM 1905 CG2 THR A 121 12.860 -2.812 9.033 1.00 0.00 C ATOM 0 H THR A 121 13.394 -0.579 8.655 1.00 0.00 H new ATOM 0 HA THR A 121 10.792 -0.729 9.976 1.00 0.00 H new ATOM 0 HB THR A 121 11.285 -2.704 10.460 1.00 0.00 H new ATOM 0 HG1 THR A 121 13.330 -3.355 11.437 1.00 0.00 H new ATOM 0 HG21 THR A 121 13.091 -3.861 9.220 1.00 0.00 H new ATOM 0 HG22 THR A 121 12.163 -2.738 8.198 1.00 0.00 H new ATOM 0 HG23 THR A 121 13.777 -2.276 8.789 1.00 0.00 H new ATOM 1913 N VAL A 122 13.590 0.124 11.402 1.00 0.00 N ATOM 1914 CA VAL A 122 14.325 0.846 12.435 1.00 0.00 C ATOM 1915 C VAL A 122 14.798 2.212 11.930 1.00 0.00 C ATOM 1916 O VAL A 122 15.042 3.122 12.723 1.00 0.00 O ATOM 1917 CB VAL A 122 15.564 0.059 12.909 1.00 0.00 C ATOM 1918 CG1 VAL A 122 16.094 0.633 14.215 1.00 0.00 C ATOM 1919 CG2 VAL A 122 15.253 -1.421 13.067 1.00 0.00 C ATOM 0 H VAL A 122 14.194 -0.383 10.755 1.00 0.00 H new ATOM 0 HA VAL A 122 13.632 0.975 13.267 1.00 0.00 H new ATOM 0 HB VAL A 122 16.334 0.159 12.144 1.00 0.00 H new ATOM 0 HG11 VAL A 122 16.968 0.065 14.534 1.00 0.00 H new ATOM 0 HG12 VAL A 122 16.373 1.676 14.067 1.00 0.00 H new ATOM 0 HG13 VAL A 122 15.321 0.569 14.981 1.00 0.00 H new ATOM 0 HG21 VAL A 122 16.147 -1.947 13.402 1.00 0.00 H new ATOM 0 HG22 VAL A 122 14.459 -1.549 13.803 1.00 0.00 H new ATOM 0 HG23 VAL A 122 14.930 -1.829 12.109 1.00 0.00 H new ATOM 1929 N GLY A 123 14.935 2.345 10.611 1.00 0.00 N ATOM 1930 CA GLY A 123 15.389 3.602 10.028 1.00 0.00 C ATOM 1931 C GLY A 123 14.324 4.273 9.176 1.00 0.00 C ATOM 1932 O GLY A 123 14.620 5.169 8.385 1.00 0.00 O ATOM 0 H GLY A 123 14.740 1.606 9.935 1.00 0.00 H new ATOM 0 HA2 GLY A 123 15.690 4.280 10.827 1.00 0.00 H new ATOM 0 HA3 GLY A 123 16.273 3.416 9.418 1.00 0.00 H new ATOM 1936 N CYS A 124 13.087 3.826 9.343 1.00 0.00 N ATOM 1937 CA CYS A 124 11.937 4.350 8.605 1.00 0.00 C ATOM 1938 C CYS A 124 12.001 5.868 8.436 1.00 0.00 C ATOM 1939 O CYS A 124 11.489 6.398 7.453 1.00 0.00 O ATOM 1940 CB CYS A 124 10.679 3.981 9.377 1.00 0.00 C ATOM 1941 SG CYS A 124 10.595 4.729 11.035 1.00 0.00 S ATOM 0 H CYS A 124 12.847 3.083 9.999 1.00 0.00 H new ATOM 0 HA CYS A 124 11.936 3.915 7.606 1.00 0.00 H new ATOM 0 HB2 CYS A 124 9.806 4.292 8.803 1.00 0.00 H new ATOM 0 HB3 CYS A 124 10.627 2.897 9.474 1.00 0.00 H new ATOM 1946 N GLU A 125 12.569 6.550 9.415 1.00 0.00 N ATOM 1947 CA GLU A 125 12.637 8.016 9.414 1.00 0.00 C ATOM 1948 C GLU A 125 13.138 8.646 8.105 1.00 0.00 C ATOM 1949 O GLU A 125 14.216 9.241 8.070 1.00 0.00 O ATOM 1950 CB GLU A 125 13.477 8.537 10.592 1.00 0.00 C ATOM 1951 CG GLU A 125 14.472 7.535 11.155 1.00 0.00 C ATOM 1952 CD GLU A 125 15.206 8.080 12.365 1.00 0.00 C ATOM 1953 OE1 GLU A 125 14.570 8.220 13.431 1.00 0.00 O ATOM 1954 OE2 GLU A 125 16.414 8.374 12.246 1.00 0.00 O ATOM 0 H GLU A 125 12.996 6.114 10.232 1.00 0.00 H new ATOM 0 HA GLU A 125 11.599 8.330 9.521 1.00 0.00 H new ATOM 0 HB2 GLU A 125 14.020 9.425 10.269 1.00 0.00 H new ATOM 0 HB3 GLU A 125 12.804 8.848 11.391 1.00 0.00 H new ATOM 0 HG2 GLU A 125 13.948 6.620 11.431 1.00 0.00 H new ATOM 0 HG3 GLU A 125 15.194 7.268 10.383 1.00 0.00 H new ATOM 1961 N GLU A 126 12.330 8.567 7.044 1.00 0.00 N ATOM 1962 CA GLU A 126 12.683 9.191 5.774 1.00 0.00 C ATOM 1963 C GLU A 126 11.836 10.427 5.498 1.00 0.00 C ATOM 1964 O GLU A 126 10.653 10.434 5.894 1.00 0.00 O ATOM 1965 CB GLU A 126 12.603 8.205 4.627 1.00 0.00 C ATOM 1966 CG GLU A 126 13.954 7.596 4.300 1.00 0.00 C ATOM 1967 CD GLU A 126 14.890 8.582 3.627 1.00 0.00 C ATOM 1968 OE1 GLU A 126 14.614 8.973 2.473 1.00 0.00 O ATOM 1969 OE2 GLU A 126 15.903 8.961 4.253 1.00 0.00 O ATOM 1970 OXT GLU A 126 12.360 11.376 4.877 1.00 0.00 O ATOM 0 H GLU A 126 11.434 8.080 7.042 1.00 0.00 H new ATOM 0 HA GLU A 126 13.720 9.517 5.856 1.00 0.00 H new ATOM 0 HB2 GLU A 126 11.900 7.411 4.881 1.00 0.00 H new ATOM 0 HB3 GLU A 126 12.210 8.709 3.744 1.00 0.00 H new ATOM 0 HG2 GLU A 126 14.415 7.231 5.217 1.00 0.00 H new ATOM 0 HG3 GLU A 126 13.812 6.733 3.649 1.00 0.00 H new