USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 472 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 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0942 X(o=-0.094,f=-0.29) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0378 K(o=-0.038,f=-0.82) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 177:sc= 0.972 (180deg=0.956) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0982 K(o=-0.098,f=-1.6!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 40 CYS SG : rot -0:sc= 0.387 USER MOD Single : A 41 LYS NZ :NH3+ 165:sc= -0.0526 (180deg=-0.35) USER MOD Single : A 42 CYS SG : rot 180:sc=-0.00381 USER MOD Single : A 43 LYS NZ :NH3+ 158:sc= -0.369 (180deg=-0.541) USER MOD Single : A 46 GLN : amide:sc= -0.0143 X(o=-0.014,f=-0.2) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.285 USER MOD Single : A 57 LYS NZ :NH3+ -158:sc= -0.0311 (180deg=-0.318) USER MOD Single : A 58 GLN : amide:sc= -0.41 X(o=-0.41,f=-0.065) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.372 F(o=-3!,f=-0.37) USER MOD Single : A 66 LYS NZ :NH3+ -174:sc= 0.0629 (180deg=0.0572) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.591 K(o=-0.59,f=-3.1) USER MOD Single : A 71 LYS NZ :NH3+ -116:sc= -0.119 (180deg=-3.41!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N TYR A 8 -1.355 -3.958 -7.779 1.00 0.00 N ATOM 67 CA TYR A 8 -0.637 -4.057 -6.514 1.00 0.00 C ATOM 68 C TYR A 8 -1.471 -3.493 -5.368 1.00 0.00 C ATOM 69 O TYR A 8 -1.349 -3.930 -4.223 1.00 0.00 O ATOM 70 CB TYR A 8 0.698 -3.315 -6.601 1.00 0.00 C ATOM 71 CG TYR A 8 1.317 -3.343 -7.980 1.00 0.00 C ATOM 72 CD1 TYR A 8 0.852 -2.510 -8.990 1.00 0.00 C ATOM 73 CD2 TYR A 8 2.367 -4.205 -8.274 1.00 0.00 C ATOM 74 CE1 TYR A 8 1.414 -2.532 -10.251 1.00 0.00 C ATOM 75 CE2 TYR A 8 2.937 -4.233 -9.533 1.00 0.00 C ATOM 76 CZ TYR A 8 2.456 -3.395 -10.518 1.00 0.00 C ATOM 77 OH TYR A 8 3.020 -3.422 -11.773 1.00 0.00 O ATOM 0 HA TYR A 8 -0.447 -5.112 -6.316 1.00 0.00 H new ATOM 0 HB2 TYR A 8 0.548 -2.278 -6.300 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.396 -3.756 -5.889 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.036 -1.833 -8.785 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.744 -4.864 -7.506 1.00 0.00 H new ATOM 0 HE1 TYR A 8 1.040 -1.877 -11.024 1.00 0.00 H new ATOM 0 HE2 TYR A 8 3.754 -4.907 -9.744 1.00 0.00 H new ATOM 0 HH TYR A 8 3.742 -4.084 -11.793 1.00 0.00 H new ATOM 87 N ILE A 9 -2.320 -2.521 -5.686 1.00 0.00 N ATOM 88 CA ILE A 9 -3.176 -1.898 -4.684 1.00 0.00 C ATOM 89 C ILE A 9 -3.587 -2.901 -3.611 1.00 0.00 C ATOM 90 O ILE A 9 -3.629 -2.575 -2.426 1.00 0.00 O ATOM 91 CB ILE A 9 -4.444 -1.299 -5.322 1.00 0.00 C ATOM 92 CG1 ILE A 9 -4.082 -0.503 -6.577 1.00 0.00 C ATOM 93 CG2 ILE A 9 -5.174 -0.416 -4.320 1.00 0.00 C ATOM 94 CD1 ILE A 9 -2.980 0.510 -6.354 1.00 0.00 C ATOM 0 H ILE A 9 -2.433 -2.148 -6.629 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.595 -1.097 -4.226 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.108 -2.114 -5.610 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.775 -1.196 -7.360 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.971 0.013 -6.939 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.068 0.000 -4.785 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.460 -1.010 -3.452 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.518 0.395 -4.004 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.776 1.037 -7.286 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.292 1.226 -5.593 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.077 -0.002 -6.022 1.00 0.00 H new ATOM 106 N GLY A 10 -3.887 -4.125 -4.035 1.00 0.00 N ATOM 107 CA GLY A 10 -4.288 -5.158 -3.098 1.00 0.00 C ATOM 108 C GLY A 10 -3.119 -6.002 -2.631 1.00 0.00 C ATOM 109 O GLY A 10 -3.112 -6.496 -1.502 1.00 0.00 O ATOM 0 H GLY A 10 -3.859 -4.420 -5.011 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.766 -4.695 -2.235 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.032 -5.801 -3.568 1.00 0.00 H new ATOM 113 N LEU A 11 -2.128 -6.170 -3.499 1.00 0.00 N ATOM 114 CA LEU A 11 -0.948 -6.962 -3.170 1.00 0.00 C ATOM 115 C LEU A 11 -0.524 -6.732 -1.723 1.00 0.00 C ATOM 116 O LEU A 11 -0.385 -7.678 -0.947 1.00 0.00 O ATOM 117 CB LEU A 11 0.205 -6.612 -4.113 1.00 0.00 C ATOM 118 CG LEU A 11 0.290 -7.432 -5.401 1.00 0.00 C ATOM 119 CD1 LEU A 11 1.512 -7.026 -6.211 1.00 0.00 C ATOM 120 CD2 LEU A 11 0.327 -8.920 -5.085 1.00 0.00 C ATOM 0 H LEU A 11 -2.118 -5.768 -4.436 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.202 -8.015 -3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.122 -5.559 -4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.142 -6.729 -3.568 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.600 -7.231 -5.997 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.557 -7.620 -7.124 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.443 -5.969 -6.468 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.413 -7.198 -5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.387 -9.488 -6.013 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.198 -9.139 -4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.578 -9.200 -4.547 1.00 0.00 H new ATOM 132 N VAL A 12 -0.321 -5.468 -1.365 1.00 0.00 N ATOM 133 CA VAL A 12 0.084 -5.113 -0.010 1.00 0.00 C ATOM 134 C VAL A 12 -0.869 -5.706 1.022 1.00 0.00 C ATOM 135 O VAL A 12 -0.464 -6.494 1.875 1.00 0.00 O ATOM 136 CB VAL A 12 0.138 -3.585 0.177 1.00 0.00 C ATOM 137 CG1 VAL A 12 0.428 -3.234 1.629 1.00 0.00 C ATOM 138 CG2 VAL A 12 1.181 -2.972 -0.746 1.00 0.00 C ATOM 0 H VAL A 12 -0.430 -4.673 -1.994 1.00 0.00 H new ATOM 0 HA VAL A 12 1.081 -5.526 0.141 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.835 -3.170 -0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.462 -2.150 1.741 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.358 -3.640 2.266 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.388 -3.660 1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.206 -1.892 -0.601 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.161 -3.391 -0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.925 -3.193 -1.782 1.00 0.00 H new ATOM 148 N ASN A 13 -2.139 -5.321 0.937 1.00 0.00 N ATOM 149 CA ASN A 13 -3.151 -5.816 1.864 1.00 0.00 C ATOM 150 C ASN A 13 -2.873 -7.265 2.250 1.00 0.00 C ATOM 151 O ASN A 13 -2.801 -7.601 3.432 1.00 0.00 O ATOM 152 CB ASN A 13 -4.543 -5.700 1.240 1.00 0.00 C ATOM 153 CG ASN A 13 -5.197 -4.363 1.531 1.00 0.00 C ATOM 154 OD1 ASN A 13 -5.235 -3.914 2.676 1.00 0.00 O ATOM 155 ND2 ASN A 13 -5.717 -3.721 0.491 1.00 0.00 N ATOM 0 H ASN A 13 -2.491 -4.669 0.237 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.112 -5.205 2.766 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.467 -5.837 0.161 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.176 -6.502 1.620 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.171 -2.817 0.624 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -5.662 -4.132 -0.441 1.00 0.00 H new ATOM 162 N SER A 14 -2.717 -8.120 1.244 1.00 0.00 N ATOM 163 CA SER A 14 -2.450 -9.535 1.478 1.00 0.00 C ATOM 164 C SER A 14 -1.029 -9.742 1.992 1.00 0.00 C ATOM 165 O SER A 14 -0.792 -10.554 2.887 1.00 0.00 O ATOM 166 CB SER A 14 -2.661 -10.335 0.191 1.00 0.00 C ATOM 167 OG SER A 14 -3.969 -10.146 -0.318 1.00 0.00 O ATOM 0 H SER A 14 -2.771 -7.858 0.260 1.00 0.00 H new ATOM 0 HA SER A 14 -3.147 -9.890 2.237 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.929 -10.028 -0.556 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.493 -11.394 0.386 1.00 0.00 H new ATOM 0 HG SER A 14 -4.078 -10.666 -1.141 1.00 0.00 H new ATOM 173 N PHE A 15 -0.086 -9.001 1.420 1.00 0.00 N ATOM 174 CA PHE A 15 1.313 -9.103 1.819 1.00 0.00 C ATOM 175 C PHE A 15 1.447 -9.105 3.339 1.00 0.00 C ATOM 176 O PHE A 15 1.936 -10.068 3.929 1.00 0.00 O ATOM 177 CB PHE A 15 2.120 -7.946 1.226 1.00 0.00 C ATOM 178 CG PHE A 15 3.567 -8.279 0.997 1.00 0.00 C ATOM 179 CD1 PHE A 15 4.452 -8.353 2.060 1.00 0.00 C ATOM 180 CD2 PHE A 15 4.041 -8.519 -0.283 1.00 0.00 C ATOM 181 CE1 PHE A 15 5.783 -8.658 1.851 1.00 0.00 C ATOM 182 CE2 PHE A 15 5.372 -8.826 -0.498 1.00 0.00 C ATOM 183 CZ PHE A 15 6.243 -8.897 0.571 1.00 0.00 C ATOM 0 H PHE A 15 -0.265 -8.323 0.679 1.00 0.00 H new ATOM 0 HA PHE A 15 1.706 -10.045 1.436 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.670 -7.648 0.279 1.00 0.00 H new ATOM 0 HB3 PHE A 15 2.054 -7.088 1.895 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.097 -8.170 3.064 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.363 -8.466 -1.122 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.463 -8.710 2.688 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.730 -9.010 -1.500 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.283 -9.139 0.406 1.00 0.00 H new ATOM 193 N ALA A 16 1.009 -8.018 3.967 1.00 0.00 N ATOM 194 CA ALA A 16 1.078 -7.894 5.418 1.00 0.00 C ATOM 195 C ALA A 16 0.565 -9.157 6.101 1.00 0.00 C ATOM 196 O ALA A 16 1.308 -9.833 6.812 1.00 0.00 O ATOM 197 CB ALA A 16 0.284 -6.682 5.882 1.00 0.00 C ATOM 0 H ALA A 16 0.603 -7.211 3.494 1.00 0.00 H new ATOM 0 HA ALA A 16 2.123 -7.759 5.698 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.344 -6.601 6.967 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.697 -5.781 5.428 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.758 -6.794 5.584 1.00 0.00 H new ATOM 203 N GLN A 17 -0.708 -9.468 5.882 1.00 0.00 N ATOM 204 CA GLN A 17 -1.319 -10.650 6.479 1.00 0.00 C ATOM 205 C GLN A 17 -0.380 -11.849 6.397 1.00 0.00 C ATOM 206 O GLN A 17 -0.131 -12.526 7.394 1.00 0.00 O ATOM 207 CB GLN A 17 -2.642 -10.974 5.782 1.00 0.00 C ATOM 208 CG GLN A 17 -3.628 -11.721 6.665 1.00 0.00 C ATOM 209 CD GLN A 17 -4.709 -12.424 5.868 1.00 0.00 C ATOM 210 OE1 GLN A 17 -4.447 -12.978 4.800 1.00 0.00 O ATOM 211 NE2 GLN A 17 -5.932 -12.406 6.384 1.00 0.00 N ATOM 0 H GLN A 17 -1.336 -8.918 5.296 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.513 -10.436 7.530 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.102 -10.045 5.443 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.438 -11.571 4.893 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.089 -12.454 7.265 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.092 -11.020 7.359 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.104 -11.935 7.272 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.700 -12.863 5.892 1.00 0.00 H new ATOM 220 N LYS A 18 0.138 -12.107 5.201 1.00 0.00 N ATOM 221 CA LYS A 18 1.051 -13.224 4.986 1.00 0.00 C ATOM 222 C LYS A 18 2.235 -13.150 5.945 1.00 0.00 C ATOM 223 O LYS A 18 2.658 -14.162 6.505 1.00 0.00 O ATOM 224 CB LYS A 18 1.551 -13.230 3.540 1.00 0.00 C ATOM 225 CG LYS A 18 0.557 -13.822 2.555 1.00 0.00 C ATOM 226 CD LYS A 18 1.034 -13.667 1.121 1.00 0.00 C ATOM 227 CE LYS A 18 0.076 -14.326 0.141 1.00 0.00 C ATOM 228 NZ LYS A 18 0.092 -13.654 -1.188 1.00 0.00 N ATOM 0 H LYS A 18 -0.059 -11.557 4.365 1.00 0.00 H new ATOM 0 HA LYS A 18 0.507 -14.149 5.179 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.782 -12.208 3.240 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.481 -13.795 3.488 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.408 -14.879 2.778 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.409 -13.332 2.673 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.130 -12.608 0.881 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.025 -14.109 1.016 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.345 -15.375 0.020 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.935 -14.301 0.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.574 -14.133 -1.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.189 -12.659 -1.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.051 -13.700 -1.589 1.00 0.00 H new ATOM 242 N LYS A 19 2.766 -11.946 6.130 1.00 0.00 N ATOM 243 CA LYS A 19 3.900 -11.739 7.023 1.00 0.00 C ATOM 244 C LYS A 19 3.428 -11.351 8.421 1.00 0.00 C ATOM 245 O LYS A 19 4.174 -10.750 9.195 1.00 0.00 O ATOM 246 CB LYS A 19 4.823 -10.654 6.465 1.00 0.00 C ATOM 247 CG LYS A 19 5.747 -11.148 5.365 1.00 0.00 C ATOM 248 CD LYS A 19 5.102 -11.017 3.995 1.00 0.00 C ATOM 249 CE LYS A 19 5.817 -11.871 2.959 1.00 0.00 C ATOM 250 NZ LYS A 19 7.195 -11.376 2.688 1.00 0.00 N ATOM 0 H LYS A 19 2.429 -11.099 5.673 1.00 0.00 H new ATOM 0 HA LYS A 19 4.452 -12.676 7.092 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.216 -9.836 6.078 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.425 -10.247 7.278 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.677 -10.579 5.387 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.007 -12.191 5.548 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.055 -11.315 4.054 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.119 -9.973 3.682 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.864 -12.902 3.308 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.243 -11.874 2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.667 -12.013 2.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.147 -10.419 2.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.735 -11.349 3.576 1.00 0.00 H new ATOM 264 N LYS A 20 2.186 -11.698 8.739 1.00 0.00 N ATOM 265 CA LYS A 20 1.615 -11.389 10.044 1.00 0.00 C ATOM 266 C LYS A 20 1.965 -9.966 10.468 1.00 0.00 C ATOM 267 O LYS A 20 2.102 -9.678 11.658 1.00 0.00 O ATOM 268 CB LYS A 20 2.118 -12.383 11.093 1.00 0.00 C ATOM 269 CG LYS A 20 1.830 -13.833 10.743 1.00 0.00 C ATOM 270 CD LYS A 20 2.964 -14.449 9.941 1.00 0.00 C ATOM 271 CE LYS A 20 2.517 -15.716 9.226 1.00 0.00 C ATOM 272 NZ LYS A 20 2.634 -16.916 10.100 1.00 0.00 N ATOM 0 H LYS A 20 1.555 -12.194 8.110 1.00 0.00 H new ATOM 0 HA LYS A 20 0.531 -11.470 9.966 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.193 -12.254 11.217 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.656 -12.151 12.053 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.677 -14.406 11.658 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.904 -13.893 10.171 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.328 -13.727 9.210 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.797 -14.679 10.605 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.483 -15.604 8.900 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.120 -15.859 8.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.320 -17.758 9.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.625 -17.038 10.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.039 -16.791 10.943 1.00 0.00 H new ATOM 286 N LEU A 21 2.108 -9.080 9.489 1.00 0.00 N ATOM 287 CA LEU A 21 2.442 -7.686 9.761 1.00 0.00 C ATOM 288 C LEU A 21 1.180 -6.839 9.887 1.00 0.00 C ATOM 289 O LEU A 21 0.068 -7.330 9.690 1.00 0.00 O ATOM 290 CB LEU A 21 3.335 -7.129 8.651 1.00 0.00 C ATOM 291 CG LEU A 21 4.821 -7.474 8.749 1.00 0.00 C ATOM 292 CD1 LEU A 21 5.464 -7.462 7.371 1.00 0.00 C ATOM 293 CD2 LEU A 21 5.533 -6.503 9.680 1.00 0.00 C ATOM 0 H LEU A 21 1.998 -9.302 8.499 1.00 0.00 H new ATOM 0 HA LEU A 21 2.981 -7.645 10.707 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.960 -7.492 7.694 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.234 -6.044 8.641 1.00 0.00 H new ATOM 0 HG LEU A 21 4.915 -8.478 9.162 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.522 -7.710 7.461 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.972 -8.197 6.734 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.360 -6.471 6.930 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.590 -6.763 9.738 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.430 -5.488 9.295 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.090 -6.561 10.674 1.00 0.00 H new ATOM 305 N SER A 22 1.359 -5.563 10.213 1.00 0.00 N ATOM 306 CA SER A 22 0.235 -4.648 10.367 1.00 0.00 C ATOM 307 C SER A 22 0.317 -3.512 9.351 1.00 0.00 C ATOM 308 O SER A 22 1.396 -2.992 9.070 1.00 0.00 O ATOM 309 CB SER A 22 0.205 -4.077 11.786 1.00 0.00 C ATOM 310 OG SER A 22 -1.122 -3.793 12.193 1.00 0.00 O ATOM 0 H SER A 22 2.273 -5.139 10.376 1.00 0.00 H new ATOM 0 HA SER A 22 -0.684 -5.207 10.189 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.656 -4.789 12.477 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.804 -3.168 11.828 1.00 0.00 H new ATOM 0 HG SER A 22 -1.114 -3.431 13.104 1.00 0.00 H new ATOM 316 N VAL A 23 -0.834 -3.132 8.805 1.00 0.00 N ATOM 317 CA VAL A 23 -0.894 -2.057 7.821 1.00 0.00 C ATOM 318 C VAL A 23 -1.838 -0.949 8.275 1.00 0.00 C ATOM 319 O VAL A 23 -2.942 -1.215 8.749 1.00 0.00 O ATOM 320 CB VAL A 23 -1.356 -2.579 6.448 1.00 0.00 C ATOM 321 CG1 VAL A 23 -2.875 -2.596 6.366 1.00 0.00 C ATOM 322 CG2 VAL A 23 -0.763 -1.733 5.330 1.00 0.00 C ATOM 0 H VAL A 23 -1.737 -3.552 9.027 1.00 0.00 H new ATOM 0 HA VAL A 23 0.115 -1.655 7.728 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.998 -3.602 6.328 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.182 -2.968 5.389 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.274 -3.247 7.144 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.258 -1.585 6.507 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.100 -2.116 4.366 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.089 -0.699 5.444 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.325 -1.778 5.378 1.00 0.00 H new ATOM 332 N ASN A 24 -1.396 0.295 8.126 1.00 0.00 N ATOM 333 CA ASN A 24 -2.202 1.445 8.521 1.00 0.00 C ATOM 334 C ASN A 24 -2.286 2.465 7.390 1.00 0.00 C ATOM 335 O ASN A 24 -1.297 2.735 6.708 1.00 0.00 O ATOM 336 CB ASN A 24 -1.612 2.102 9.771 1.00 0.00 C ATOM 337 CG ASN A 24 -2.074 1.430 11.050 1.00 0.00 C ATOM 338 OD1 ASN A 24 -3.168 0.868 11.109 1.00 0.00 O ATOM 339 ND2 ASN A 24 -1.240 1.485 12.082 1.00 0.00 N ATOM 0 H ASN A 24 -0.485 0.533 7.735 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.209 1.092 8.744 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.524 2.066 9.718 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.896 3.154 9.794 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.496 1.051 12.969 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.343 1.962 11.988 1.00 0.00 H new ATOM 346 N TYR A 25 -3.474 3.028 7.196 1.00 0.00 N ATOM 347 CA TYR A 25 -3.689 4.016 6.146 1.00 0.00 C ATOM 348 C TYR A 25 -3.980 5.390 6.742 1.00 0.00 C ATOM 349 O TYR A 25 -5.114 5.689 7.115 1.00 0.00 O ATOM 350 CB TYR A 25 -4.844 3.586 5.240 1.00 0.00 C ATOM 351 CG TYR A 25 -4.508 2.413 4.347 1.00 0.00 C ATOM 352 CD1 TYR A 25 -3.785 2.591 3.174 1.00 0.00 C ATOM 353 CD2 TYR A 25 -4.914 1.125 4.677 1.00 0.00 C ATOM 354 CE1 TYR A 25 -3.477 1.522 2.356 1.00 0.00 C ATOM 355 CE2 TYR A 25 -4.609 0.050 3.865 1.00 0.00 C ATOM 356 CZ TYR A 25 -3.891 0.253 2.705 1.00 0.00 C ATOM 357 OH TYR A 25 -3.585 -0.814 1.893 1.00 0.00 O ATOM 0 H TYR A 25 -4.302 2.817 7.752 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.777 4.083 5.553 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.703 3.327 5.859 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.142 4.431 4.619 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.458 3.582 2.897 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -5.478 0.962 5.584 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -2.915 1.679 1.447 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.931 -0.944 4.137 1.00 0.00 H new ATOM 0 HH TYR A 25 -3.949 -1.636 2.283 1.00 0.00 H new ATOM 367 N GLU A 26 -2.946 6.222 6.827 1.00 0.00 N ATOM 368 CA GLU A 26 -3.091 7.565 7.378 1.00 0.00 C ATOM 369 C GLU A 26 -3.552 8.547 6.305 1.00 0.00 C ATOM 370 O GLU A 26 -3.096 8.492 5.163 1.00 0.00 O ATOM 371 CB GLU A 26 -1.767 8.037 7.982 1.00 0.00 C ATOM 372 CG GLU A 26 -1.412 7.345 9.287 1.00 0.00 C ATOM 373 CD GLU A 26 -0.954 5.914 9.083 1.00 0.00 C ATOM 374 OE1 GLU A 26 -0.598 5.563 7.939 1.00 0.00 O ATOM 375 OE2 GLU A 26 -0.953 5.144 10.067 1.00 0.00 O ATOM 0 H GLU A 26 -2.001 5.990 6.522 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.848 7.529 8.162 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.967 7.867 7.261 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.818 9.112 8.153 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.624 7.907 9.789 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.280 7.354 9.947 1.00 0.00 H new ATOM 382 N GLN A 27 -4.459 9.442 6.681 1.00 0.00 N ATOM 383 CA GLN A 27 -4.982 10.435 5.750 1.00 0.00 C ATOM 384 C GLN A 27 -4.603 11.846 6.189 1.00 0.00 C ATOM 385 O GLN A 27 -4.350 12.092 7.369 1.00 0.00 O ATOM 386 CB GLN A 27 -6.504 10.313 5.644 1.00 0.00 C ATOM 387 CG GLN A 27 -7.229 10.593 6.951 1.00 0.00 C ATOM 388 CD GLN A 27 -8.732 10.688 6.775 1.00 0.00 C ATOM 389 OE1 GLN A 27 -9.223 11.428 5.922 1.00 0.00 O ATOM 390 NE2 GLN A 27 -9.471 9.936 7.583 1.00 0.00 N ATOM 0 H GLN A 27 -4.847 9.500 7.623 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.540 10.247 4.772 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.864 11.006 4.883 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.757 9.308 5.306 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.000 9.803 7.666 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.857 11.525 7.376 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.021 9.337 8.276 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.488 9.957 7.511 1.00 0.00 H new ATOM 553 N PHE A 38 -7.078 15.114 -1.844 1.00 0.00 N ATOM 554 CA PHE A 38 -7.030 13.955 -0.960 1.00 0.00 C ATOM 555 C PHE A 38 -5.667 13.274 -1.029 1.00 0.00 C ATOM 556 O PHE A 38 -5.163 12.978 -2.113 1.00 0.00 O ATOM 557 CB PHE A 38 -8.130 12.958 -1.331 1.00 0.00 C ATOM 558 CG PHE A 38 -9.425 13.198 -0.608 1.00 0.00 C ATOM 559 CD1 PHE A 38 -10.312 14.165 -1.050 1.00 0.00 C ATOM 560 CD2 PHE A 38 -9.754 12.455 0.515 1.00 0.00 C ATOM 561 CE1 PHE A 38 -11.505 14.388 -0.388 1.00 0.00 C ATOM 562 CE2 PHE A 38 -10.945 12.673 1.181 1.00 0.00 C ATOM 563 CZ PHE A 38 -11.821 13.641 0.730 1.00 0.00 C ATOM 0 HA PHE A 38 -7.192 14.301 0.061 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.308 13.009 -2.405 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.783 11.948 -1.113 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.069 14.752 -1.923 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -9.072 11.698 0.873 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -12.188 15.145 -0.744 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -11.191 12.087 2.054 1.00 0.00 H new ATOM 0 HZ PHE A 38 -12.751 13.813 1.251 1.00 0.00 H new ATOM 573 N ILE A 39 -5.075 13.029 0.135 1.00 0.00 N ATOM 574 CA ILE A 39 -3.771 12.383 0.208 1.00 0.00 C ATOM 575 C ILE A 39 -3.750 11.305 1.286 1.00 0.00 C ATOM 576 O ILE A 39 -4.136 11.550 2.430 1.00 0.00 O ATOM 577 CB ILE A 39 -2.652 13.402 0.494 1.00 0.00 C ATOM 578 CG1 ILE A 39 -2.728 14.567 -0.495 1.00 0.00 C ATOM 579 CG2 ILE A 39 -1.290 12.728 0.423 1.00 0.00 C ATOM 580 CD1 ILE A 39 -2.230 14.218 -1.879 1.00 0.00 C ATOM 0 H ILE A 39 -5.478 13.268 1.041 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.593 11.924 -0.764 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.789 13.795 1.501 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.761 14.907 -0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.143 15.401 -0.107 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.510 13.461 0.627 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.240 11.929 1.163 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.143 12.310 -0.573 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.313 15.091 -2.527 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.187 13.906 -1.823 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.830 13.405 -2.287 1.00 0.00 H new ATOM 592 N CYS A 40 -3.295 10.114 0.916 1.00 0.00 N ATOM 593 CA CYS A 40 -3.223 8.998 1.853 1.00 0.00 C ATOM 594 C CYS A 40 -1.810 8.426 1.908 1.00 0.00 C ATOM 595 O CYS A 40 -1.039 8.553 0.957 1.00 0.00 O ATOM 596 CB CYS A 40 -4.213 7.904 1.452 1.00 0.00 C ATOM 597 SG CYS A 40 -4.821 6.914 2.839 1.00 0.00 S ATOM 0 H CYS A 40 -2.970 9.895 -0.026 1.00 0.00 H new ATOM 0 HA CYS A 40 -3.485 9.369 2.844 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -5.063 8.365 0.948 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.734 7.243 0.730 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.278 7.334 3.943 1.00 0.00 H new ATOM 603 N LYS A 41 -1.476 7.797 3.030 1.00 0.00 N ATOM 604 CA LYS A 41 -0.156 7.205 3.212 1.00 0.00 C ATOM 605 C LYS A 41 -0.261 5.831 3.866 1.00 0.00 C ATOM 606 O LYS A 41 -0.900 5.676 4.907 1.00 0.00 O ATOM 607 CB LYS A 41 0.723 8.122 4.066 1.00 0.00 C ATOM 608 CG LYS A 41 0.682 9.578 3.636 1.00 0.00 C ATOM 609 CD LYS A 41 1.883 10.348 4.159 1.00 0.00 C ATOM 610 CE LYS A 41 1.810 11.819 3.779 1.00 0.00 C ATOM 611 NZ LYS A 41 0.581 12.469 4.312 1.00 0.00 N ATOM 0 H LYS A 41 -2.102 7.684 3.827 1.00 0.00 H new ATOM 0 HA LYS A 41 0.300 7.086 2.229 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.405 8.050 5.106 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.753 7.768 4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.657 9.636 2.548 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.235 10.040 4.001 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.933 10.253 5.244 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.798 9.913 3.758 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.690 12.337 4.161 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.830 11.915 2.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.684 13.503 4.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.241 12.173 3.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.441 12.186 5.303 1.00 0.00 H new ATOM 625 N CYS A 42 0.371 4.838 3.249 1.00 0.00 N ATOM 626 CA CYS A 42 0.349 3.477 3.772 1.00 0.00 C ATOM 627 C CYS A 42 1.592 3.195 4.609 1.00 0.00 C ATOM 628 O CYS A 42 2.709 3.160 4.091 1.00 0.00 O ATOM 629 CB CYS A 42 0.253 2.470 2.625 1.00 0.00 C ATOM 630 SG CYS A 42 0.367 0.742 3.148 1.00 0.00 S ATOM 0 H CYS A 42 0.904 4.950 2.387 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.528 3.374 4.411 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.692 2.619 2.103 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.048 2.675 1.908 1.00 0.00 H new ATOM 0 HG CYS A 42 0.274 -0.033 2.109 1.00 0.00 H new ATOM 636 N LYS A 43 1.392 2.997 5.908 1.00 0.00 N ATOM 637 CA LYS A 43 2.497 2.719 6.819 1.00 0.00 C ATOM 638 C LYS A 43 2.401 1.301 7.373 1.00 0.00 C ATOM 639 O LYS A 43 1.340 0.874 7.831 1.00 0.00 O ATOM 640 CB LYS A 43 2.502 3.729 7.969 1.00 0.00 C ATOM 641 CG LYS A 43 3.114 5.069 7.599 1.00 0.00 C ATOM 642 CD LYS A 43 2.560 6.191 8.460 1.00 0.00 C ATOM 643 CE LYS A 43 3.360 6.357 9.742 1.00 0.00 C ATOM 644 NZ LYS A 43 2.844 5.487 10.835 1.00 0.00 N ATOM 0 H LYS A 43 0.475 3.024 6.354 1.00 0.00 H new ATOM 0 HA LYS A 43 3.429 2.809 6.260 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.478 3.888 8.307 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.053 3.307 8.810 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.197 5.020 7.716 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.916 5.283 6.549 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.575 7.124 7.897 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.518 5.983 8.704 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.406 6.118 9.551 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.324 7.399 10.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.592 5.336 11.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.028 5.946 11.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.551 4.571 10.440 1.00 0.00 H new ATOM 658 N ILE A 44 3.514 0.578 7.330 1.00 0.00 N ATOM 659 CA ILE A 44 3.555 -0.791 7.831 1.00 0.00 C ATOM 660 C ILE A 44 4.153 -0.845 9.233 1.00 0.00 C ATOM 661 O ILE A 44 5.356 -0.663 9.414 1.00 0.00 O ATOM 662 CB ILE A 44 4.372 -1.706 6.901 1.00 0.00 C ATOM 663 CG1 ILE A 44 3.951 -1.498 5.445 1.00 0.00 C ATOM 664 CG2 ILE A 44 4.198 -3.163 7.305 1.00 0.00 C ATOM 665 CD1 ILE A 44 2.569 -2.029 5.134 1.00 0.00 C ATOM 0 H ILE A 44 4.400 0.916 6.954 1.00 0.00 H new ATOM 0 HA ILE A 44 2.525 -1.147 7.864 1.00 0.00 H new ATOM 0 HB ILE A 44 5.426 -1.446 6.995 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.983 -0.433 5.215 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.675 -1.987 4.793 1.00 0.00 H new ATOM 0 HG21 ILE A 44 4.782 -3.798 6.638 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.542 -3.300 8.330 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.145 -3.436 7.237 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.337 -1.847 4.085 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.538 -3.100 5.332 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.835 -1.522 5.761 1.00 0.00 H new ATOM 677 N GLY A 45 3.303 -1.100 10.223 1.00 0.00 N ATOM 678 CA GLY A 45 3.766 -1.176 11.597 1.00 0.00 C ATOM 679 C GLY A 45 4.374 0.127 12.077 1.00 0.00 C ATOM 680 O GLY A 45 5.435 0.130 12.700 1.00 0.00 O ATOM 0 H GLY A 45 2.303 -1.255 10.099 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.931 -1.444 12.244 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.505 -1.972 11.685 1.00 0.00 H new ATOM 684 N GLN A 46 3.702 1.235 11.784 1.00 0.00 N ATOM 685 CA GLN A 46 4.185 2.550 12.189 1.00 0.00 C ATOM 686 C GLN A 46 5.426 2.942 11.394 1.00 0.00 C ATOM 687 O GLN A 46 6.253 3.726 11.860 1.00 0.00 O ATOM 688 CB GLN A 46 4.498 2.564 13.686 1.00 0.00 C ATOM 689 CG GLN A 46 4.546 3.960 14.285 1.00 0.00 C ATOM 690 CD GLN A 46 4.281 3.964 15.777 1.00 0.00 C ATOM 691 OE1 GLN A 46 3.302 3.382 16.247 1.00 0.00 O ATOM 692 NE2 GLN A 46 5.153 4.622 16.532 1.00 0.00 N ATOM 0 H GLN A 46 2.822 1.249 11.268 1.00 0.00 H new ATOM 0 HA GLN A 46 3.399 3.277 11.983 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.744 1.978 14.212 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.457 2.073 13.853 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.524 4.400 14.092 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.809 4.590 13.787 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.950 5.090 16.101 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.026 4.659 17.543 1.00 0.00 H new ATOM 701 N THR A 47 5.551 2.391 10.191 1.00 0.00 N ATOM 702 CA THR A 47 6.692 2.681 9.332 1.00 0.00 C ATOM 703 C THR A 47 6.239 3.201 7.973 1.00 0.00 C ATOM 704 O THR A 47 5.320 2.654 7.363 1.00 0.00 O ATOM 705 CB THR A 47 7.571 1.433 9.124 1.00 0.00 C ATOM 706 OG1 THR A 47 8.078 0.977 10.383 1.00 0.00 O ATOM 707 CG2 THR A 47 8.729 1.737 8.185 1.00 0.00 C ATOM 0 H THR A 47 4.875 1.741 9.789 1.00 0.00 H new ATOM 0 HA THR A 47 7.279 3.450 9.835 1.00 0.00 H new ATOM 0 HB THR A 47 6.956 0.653 8.676 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.634 0.182 10.243 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.336 0.841 8.053 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.339 2.057 7.218 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.343 2.531 8.610 1.00 0.00 H new ATOM 715 N MET A 48 6.889 4.261 7.503 1.00 0.00 N ATOM 716 CA MET A 48 6.553 4.853 6.213 1.00 0.00 C ATOM 717 C MET A 48 7.093 4.003 5.067 1.00 0.00 C ATOM 718 O MET A 48 8.303 3.822 4.933 1.00 0.00 O ATOM 719 CB MET A 48 7.114 6.273 6.119 1.00 0.00 C ATOM 720 CG MET A 48 6.568 7.065 4.942 1.00 0.00 C ATOM 721 SD MET A 48 7.728 8.309 4.344 1.00 0.00 S ATOM 722 CE MET A 48 6.763 9.076 3.044 1.00 0.00 C ATOM 0 H MET A 48 7.651 4.727 7.996 1.00 0.00 H new ATOM 0 HA MET A 48 5.467 4.893 6.131 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.887 6.806 7.042 1.00 0.00 H new ATOM 0 HB3 MET A 48 8.200 6.221 6.039 1.00 0.00 H new ATOM 0 HG2 MET A 48 6.325 6.380 4.130 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.639 7.552 5.237 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.347 9.869 2.577 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.502 8.328 2.295 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.852 9.498 3.468 1.00 0.00 H new ATOM 732 N TYR A 49 6.188 3.485 4.245 1.00 0.00 N ATOM 733 CA TYR A 49 6.573 2.652 3.112 1.00 0.00 C ATOM 734 C TYR A 49 6.206 3.323 1.792 1.00 0.00 C ATOM 735 O TYR A 49 7.073 3.620 0.971 1.00 0.00 O ATOM 736 CB TYR A 49 5.898 1.282 3.206 1.00 0.00 C ATOM 737 CG TYR A 49 6.702 0.263 3.980 1.00 0.00 C ATOM 738 CD1 TYR A 49 6.740 0.288 5.369 1.00 0.00 C ATOM 739 CD2 TYR A 49 7.425 -0.726 3.323 1.00 0.00 C ATOM 740 CE1 TYR A 49 7.474 -0.641 6.081 1.00 0.00 C ATOM 741 CE2 TYR A 49 8.160 -1.660 4.027 1.00 0.00 C ATOM 742 CZ TYR A 49 8.182 -1.613 5.406 1.00 0.00 C ATOM 743 OH TYR A 49 8.914 -2.541 6.110 1.00 0.00 O ATOM 0 H TYR A 49 5.183 3.627 4.342 1.00 0.00 H new ATOM 0 HA TYR A 49 7.654 2.520 3.143 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.923 1.398 3.679 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.721 0.904 2.199 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.186 1.047 5.901 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.412 -0.765 2.244 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.493 -0.606 7.160 1.00 0.00 H new ATOM 0 HE2 TYR A 49 8.715 -2.423 3.501 1.00 0.00 H new ATOM 0 HH TYR A 49 9.352 -3.155 5.484 1.00 0.00 H new ATOM 753 N GLY A 50 4.912 3.559 1.595 1.00 0.00 N ATOM 754 CA GLY A 50 4.451 4.194 0.375 1.00 0.00 C ATOM 755 C GLY A 50 3.367 5.222 0.629 1.00 0.00 C ATOM 756 O GLY A 50 2.583 5.089 1.570 1.00 0.00 O ATOM 0 H GLY A 50 4.175 3.321 2.259 1.00 0.00 H new ATOM 0 HA2 GLY A 50 5.294 4.675 -0.121 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.072 3.432 -0.306 1.00 0.00 H new ATOM 760 N THR A 51 3.321 6.252 -0.209 1.00 0.00 N ATOM 761 CA THR A 51 2.327 7.308 -0.069 1.00 0.00 C ATOM 762 C THR A 51 1.543 7.501 -1.362 1.00 0.00 C ATOM 763 O THR A 51 2.123 7.592 -2.443 1.00 0.00 O ATOM 764 CB THR A 51 2.980 8.646 0.326 1.00 0.00 C ATOM 765 OG1 THR A 51 3.471 8.574 1.670 1.00 0.00 O ATOM 766 CG2 THR A 51 1.985 9.791 0.206 1.00 0.00 C ATOM 0 H THR A 51 3.961 6.377 -0.993 1.00 0.00 H new ATOM 0 HA THR A 51 1.646 6.997 0.723 1.00 0.00 H new ATOM 0 HB THR A 51 3.810 8.834 -0.355 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.886 9.428 1.913 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.469 10.725 0.490 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.635 9.862 -0.824 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.137 9.607 0.866 1.00 0.00 H new ATOM 774 N GLY A 52 0.220 7.564 -1.243 1.00 0.00 N ATOM 775 CA GLY A 52 -0.622 7.747 -2.412 1.00 0.00 C ATOM 776 C GLY A 52 -1.366 9.067 -2.389 1.00 0.00 C ATOM 777 O GLY A 52 -1.923 9.456 -1.363 1.00 0.00 O ATOM 0 H GLY A 52 -0.284 7.492 -0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.007 7.696 -3.311 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.340 6.929 -2.470 1.00 0.00 H new ATOM 781 N SER A 53 -1.374 9.760 -3.524 1.00 0.00 N ATOM 782 CA SER A 53 -2.051 11.047 -3.629 1.00 0.00 C ATOM 783 C SER A 53 -3.048 11.044 -4.784 1.00 0.00 C ATOM 784 O SER A 53 -2.738 10.591 -5.885 1.00 0.00 O ATOM 785 CB SER A 53 -1.029 12.169 -3.825 1.00 0.00 C ATOM 786 OG SER A 53 -0.234 11.939 -4.975 1.00 0.00 O ATOM 0 H SER A 53 -0.919 9.451 -4.383 1.00 0.00 H new ATOM 0 HA SER A 53 -2.597 11.220 -2.702 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.546 13.124 -3.922 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.389 12.241 -2.945 1.00 0.00 H new ATOM 0 HG SER A 53 0.410 12.670 -5.079 1.00 0.00 H new ATOM 792 N GLY A 54 -4.248 11.554 -4.523 1.00 0.00 N ATOM 793 CA GLY A 54 -5.273 11.601 -5.549 1.00 0.00 C ATOM 794 C GLY A 54 -6.434 12.498 -5.168 1.00 0.00 C ATOM 795 O GLY A 54 -6.756 12.642 -3.988 1.00 0.00 O ATOM 0 H GLY A 54 -4.528 11.935 -3.619 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.834 11.957 -6.481 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.643 10.593 -5.735 1.00 0.00 H new ATOM 799 N VAL A 55 -7.064 13.105 -6.169 1.00 0.00 N ATOM 800 CA VAL A 55 -8.196 13.993 -5.933 1.00 0.00 C ATOM 801 C VAL A 55 -9.147 13.408 -4.895 1.00 0.00 C ATOM 802 O VAL A 55 -9.712 14.133 -4.075 1.00 0.00 O ATOM 803 CB VAL A 55 -8.976 14.265 -7.233 1.00 0.00 C ATOM 804 CG1 VAL A 55 -8.091 14.968 -8.250 1.00 0.00 C ATOM 805 CG2 VAL A 55 -9.531 12.968 -7.802 1.00 0.00 C ATOM 0 H VAL A 55 -6.810 12.998 -7.151 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.789 14.932 -5.559 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.815 14.922 -7.002 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.659 15.152 -9.162 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.748 15.917 -7.839 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.230 14.340 -8.479 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.079 13.179 -8.720 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.710 12.285 -8.018 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.202 12.510 -7.076 1.00 0.00 H new ATOM 815 N THR A 56 -9.320 12.091 -4.934 1.00 0.00 N ATOM 816 CA THR A 56 -10.203 11.407 -3.998 1.00 0.00 C ATOM 817 C THR A 56 -9.418 10.471 -3.086 1.00 0.00 C ATOM 818 O THR A 56 -8.404 9.902 -3.488 1.00 0.00 O ATOM 819 CB THR A 56 -11.286 10.598 -4.736 1.00 0.00 C ATOM 820 OG1 THR A 56 -11.870 11.394 -5.773 1.00 0.00 O ATOM 821 CG2 THR A 56 -12.369 10.139 -3.771 1.00 0.00 C ATOM 0 H THR A 56 -8.859 11.476 -5.605 1.00 0.00 H new ATOM 0 HA THR A 56 -10.684 12.178 -3.396 1.00 0.00 H new ATOM 0 HB THR A 56 -10.816 9.718 -5.175 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.556 10.872 -6.239 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.123 9.570 -4.314 1.00 0.00 H new ATOM 0 HG22 THR A 56 -11.926 9.510 -2.999 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.835 11.008 -3.307 1.00 0.00 H new ATOM 829 N LYS A 57 -9.895 10.315 -1.855 1.00 0.00 N ATOM 830 CA LYS A 57 -9.240 9.446 -0.885 1.00 0.00 C ATOM 831 C LYS A 57 -8.922 8.086 -1.500 1.00 0.00 C ATOM 832 O LYS A 57 -7.762 7.684 -1.571 1.00 0.00 O ATOM 833 CB LYS A 57 -10.127 9.265 0.349 1.00 0.00 C ATOM 834 CG LYS A 57 -9.402 8.651 1.534 1.00 0.00 C ATOM 835 CD LYS A 57 -10.053 9.044 2.850 1.00 0.00 C ATOM 836 CE LYS A 57 -9.766 8.022 3.940 1.00 0.00 C ATOM 837 NZ LYS A 57 -10.463 6.731 3.688 1.00 0.00 N ATOM 0 H LYS A 57 -10.733 10.780 -1.506 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.304 9.918 -0.586 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.529 10.235 0.642 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.976 8.634 0.086 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.400 7.565 1.438 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.361 8.973 1.531 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.686 10.022 3.161 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.130 9.137 2.711 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.692 7.849 4.001 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.080 8.422 4.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.561 6.209 4.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.406 6.917 3.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.910 6.164 3.014 1.00 0.00 H new ATOM 851 N GLN A 58 -9.961 7.385 -1.943 1.00 0.00 N ATOM 852 CA GLN A 58 -9.791 6.072 -2.553 1.00 0.00 C ATOM 853 C GLN A 58 -8.620 6.072 -3.530 1.00 0.00 C ATOM 854 O GLN A 58 -7.593 5.442 -3.281 1.00 0.00 O ATOM 855 CB GLN A 58 -11.073 5.651 -3.274 1.00 0.00 C ATOM 856 CG GLN A 58 -11.067 4.201 -3.730 1.00 0.00 C ATOM 857 CD GLN A 58 -11.129 3.225 -2.572 1.00 0.00 C ATOM 858 OE1 GLN A 58 -12.164 3.081 -1.920 1.00 0.00 O ATOM 859 NE2 GLN A 58 -10.018 2.548 -2.308 1.00 0.00 N ATOM 0 H GLN A 58 -10.928 7.704 -1.891 1.00 0.00 H new ATOM 0 HA GLN A 58 -9.577 5.356 -1.759 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -11.922 5.811 -2.610 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -11.221 6.295 -4.141 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -11.916 4.029 -4.391 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -10.166 4.011 -4.312 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -9.183 2.698 -2.874 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -10.000 1.878 -1.539 1.00 0.00 H new ATOM 868 N GLU A 59 -8.783 6.783 -4.641 1.00 0.00 N ATOM 869 CA GLU A 59 -7.739 6.864 -5.656 1.00 0.00 C ATOM 870 C GLU A 59 -6.357 6.910 -5.011 1.00 0.00 C ATOM 871 O GLU A 59 -5.428 6.240 -5.462 1.00 0.00 O ATOM 872 CB GLU A 59 -7.946 8.099 -6.535 1.00 0.00 C ATOM 873 CG GLU A 59 -7.085 8.105 -7.787 1.00 0.00 C ATOM 874 CD GLU A 59 -7.101 9.444 -8.499 1.00 0.00 C ATOM 875 OE1 GLU A 59 -8.199 9.896 -8.886 1.00 0.00 O ATOM 876 OE2 GLU A 59 -6.017 10.039 -8.669 1.00 0.00 O ATOM 0 H GLU A 59 -9.627 7.311 -4.861 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.801 5.971 -6.278 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.995 8.157 -6.825 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.728 8.992 -5.950 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.059 7.852 -7.519 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.436 7.331 -8.469 1.00 0.00 H new ATOM 883 N ALA A 60 -6.229 7.706 -3.955 1.00 0.00 N ATOM 884 CA ALA A 60 -4.962 7.840 -3.247 1.00 0.00 C ATOM 885 C ALA A 60 -4.627 6.568 -2.476 1.00 0.00 C ATOM 886 O ALA A 60 -3.689 5.848 -2.821 1.00 0.00 O ATOM 887 CB ALA A 60 -5.007 9.034 -2.306 1.00 0.00 C ATOM 0 H ALA A 60 -6.988 8.268 -3.571 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.177 8.003 -3.985 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.054 9.122 -1.784 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.192 9.942 -2.879 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.807 8.895 -1.579 1.00 0.00 H new ATOM 893 N LYS A 61 -5.399 6.295 -1.430 1.00 0.00 N ATOM 894 CA LYS A 61 -5.186 5.109 -0.608 1.00 0.00 C ATOM 895 C LYS A 61 -4.709 3.937 -1.460 1.00 0.00 C ATOM 896 O LYS A 61 -3.834 3.176 -1.048 1.00 0.00 O ATOM 897 CB LYS A 61 -6.476 4.731 0.123 1.00 0.00 C ATOM 898 CG LYS A 61 -6.310 3.572 1.090 1.00 0.00 C ATOM 899 CD LYS A 61 -7.506 3.444 2.018 1.00 0.00 C ATOM 900 CE LYS A 61 -7.500 2.113 2.755 1.00 0.00 C ATOM 901 NZ LYS A 61 -8.251 2.187 4.039 1.00 0.00 N ATOM 0 H LYS A 61 -6.179 6.880 -1.131 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.415 5.340 0.127 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.842 5.600 0.670 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.238 4.473 -0.612 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.182 2.646 0.530 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.405 3.716 1.680 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.497 4.261 2.740 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.427 3.538 1.442 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.941 1.344 2.120 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.471 1.812 2.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.224 1.261 4.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.815 2.903 4.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.239 2.449 3.849 1.00 0.00 H new ATOM 915 N GLN A 62 -5.289 3.799 -2.647 1.00 0.00 N ATOM 916 CA GLN A 62 -4.922 2.720 -3.556 1.00 0.00 C ATOM 917 C GLN A 62 -3.437 2.776 -3.897 1.00 0.00 C ATOM 918 O GLN A 62 -2.657 1.928 -3.463 1.00 0.00 O ATOM 919 CB GLN A 62 -5.754 2.797 -4.837 1.00 0.00 C ATOM 920 CG GLN A 62 -7.178 2.291 -4.669 1.00 0.00 C ATOM 921 CD GLN A 62 -7.819 1.906 -5.988 1.00 0.00 C ATOM 922 OE1 GLN A 62 -7.749 0.624 -6.329 1.00 0.00 O flip ATOM 923 NE2 GLN A 62 -8.373 2.751 -6.692 1.00 0.00 N flip ATOM 0 H GLN A 62 -6.015 4.421 -3.002 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.126 1.774 -3.055 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.783 3.831 -5.180 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.260 2.216 -5.616 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.177 1.427 -4.004 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.780 3.062 -4.188 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.403 3.725 -6.391 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.802 2.477 -7.576 1.00 0.00 H new ATOM 932 N LEU A 63 -3.051 3.781 -4.675 1.00 0.00 N ATOM 933 CA LEU A 63 -1.658 3.949 -5.075 1.00 0.00 C ATOM 934 C LEU A 63 -0.722 3.730 -3.891 1.00 0.00 C ATOM 935 O LEU A 63 0.305 3.063 -4.015 1.00 0.00 O ATOM 936 CB LEU A 63 -1.440 5.345 -5.661 1.00 0.00 C ATOM 937 CG LEU A 63 -2.363 5.741 -6.813 1.00 0.00 C ATOM 938 CD1 LEU A 63 -2.601 7.244 -6.814 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.779 5.291 -8.144 1.00 0.00 C ATOM 0 H LEU A 63 -3.683 4.492 -5.042 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.431 3.203 -5.837 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.557 6.075 -4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.409 5.415 -6.008 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.322 5.242 -6.673 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.260 7.507 -7.641 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.064 7.540 -5.873 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.649 7.763 -6.929 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.450 5.582 -8.953 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.807 5.761 -8.292 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.661 4.207 -8.142 1.00 0.00 H new ATOM 951 N ALA A 64 -1.085 4.293 -2.744 1.00 0.00 N ATOM 952 CA ALA A 64 -0.280 4.155 -1.536 1.00 0.00 C ATOM 953 C ALA A 64 0.354 2.771 -1.454 1.00 0.00 C ATOM 954 O ALA A 64 1.502 2.628 -1.035 1.00 0.00 O ATOM 955 CB ALA A 64 -1.129 4.423 -0.302 1.00 0.00 C ATOM 0 H ALA A 64 -1.932 4.849 -2.625 1.00 0.00 H new ATOM 0 HA ALA A 64 0.522 4.891 -1.578 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.515 4.316 0.592 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.529 5.436 -0.349 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.952 3.709 -0.264 1.00 0.00 H new ATOM 961 N ALA A 65 -0.402 1.754 -1.856 1.00 0.00 N ATOM 962 CA ALA A 65 0.087 0.381 -1.828 1.00 0.00 C ATOM 963 C ALA A 65 1.109 0.141 -2.934 1.00 0.00 C ATOM 964 O ALA A 65 2.147 -0.482 -2.709 1.00 0.00 O ATOM 965 CB ALA A 65 -1.073 -0.595 -1.958 1.00 0.00 C ATOM 0 H ALA A 65 -1.355 1.855 -2.205 1.00 0.00 H new ATOM 0 HA ALA A 65 0.580 0.216 -0.870 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.693 -1.616 -1.936 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.767 -0.448 -1.131 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.591 -0.421 -2.901 1.00 0.00 H new ATOM 971 N LYS A 66 0.810 0.638 -4.129 1.00 0.00 N ATOM 972 CA LYS A 66 1.703 0.478 -5.270 1.00 0.00 C ATOM 973 C LYS A 66 3.137 0.837 -4.894 1.00 0.00 C ATOM 974 O LYS A 66 4.085 0.190 -5.337 1.00 0.00 O ATOM 975 CB LYS A 66 1.236 1.353 -6.436 1.00 0.00 C ATOM 976 CG LYS A 66 0.306 0.636 -7.400 1.00 0.00 C ATOM 977 CD LYS A 66 -0.251 1.586 -8.447 1.00 0.00 C ATOM 978 CE LYS A 66 0.814 1.996 -9.451 1.00 0.00 C ATOM 979 NZ LYS A 66 0.920 1.025 -10.575 1.00 0.00 N ATOM 0 H LYS A 66 -0.045 1.156 -4.333 1.00 0.00 H new ATOM 0 HA LYS A 66 1.677 -0.568 -5.575 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.727 2.231 -6.039 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.108 1.710 -6.984 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.844 -0.174 -7.892 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.515 0.182 -6.845 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.080 1.108 -8.969 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.652 2.474 -7.958 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.579 2.984 -9.846 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.777 2.075 -8.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.723 1.284 -11.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.068 0.068 -10.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.043 1.043 -11.134 1.00 0.00 H new ATOM 993 N GLU A 67 3.287 1.872 -4.072 1.00 0.00 N ATOM 994 CA GLU A 67 4.606 2.315 -3.637 1.00 0.00 C ATOM 995 C GLU A 67 5.119 1.450 -2.489 1.00 0.00 C ATOM 996 O GLU A 67 6.291 1.076 -2.455 1.00 0.00 O ATOM 997 CB GLU A 67 4.558 3.781 -3.202 1.00 0.00 C ATOM 998 CG GLU A 67 5.930 4.407 -3.019 1.00 0.00 C ATOM 999 CD GLU A 67 5.904 5.918 -3.149 1.00 0.00 C ATOM 1000 OE1 GLU A 67 5.577 6.414 -4.248 1.00 0.00 O ATOM 1001 OE2 GLU A 67 6.212 6.604 -2.152 1.00 0.00 O ATOM 0 H GLU A 67 2.512 2.418 -3.695 1.00 0.00 H new ATOM 0 HA GLU A 67 5.291 2.215 -4.479 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.003 4.354 -3.945 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.006 3.855 -2.265 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.320 4.137 -2.038 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.615 3.994 -3.759 1.00 0.00 H new ATOM 1008 N ALA A 68 4.232 1.136 -1.550 1.00 0.00 N ATOM 1009 CA ALA A 68 4.594 0.315 -0.402 1.00 0.00 C ATOM 1010 C ALA A 68 5.161 -1.030 -0.845 1.00 0.00 C ATOM 1011 O ALA A 68 6.207 -1.463 -0.361 1.00 0.00 O ATOM 1012 CB ALA A 68 3.386 0.108 0.501 1.00 0.00 C ATOM 0 H ALA A 68 3.258 1.438 -1.562 1.00 0.00 H new ATOM 0 HA ALA A 68 5.368 0.840 0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.671 -0.507 1.355 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.026 1.074 0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.595 -0.392 -0.058 1.00 0.00 H new ATOM 1018 N TYR A 69 4.466 -1.685 -1.768 1.00 0.00 N ATOM 1019 CA TYR A 69 4.899 -2.981 -2.275 1.00 0.00 C ATOM 1020 C TYR A 69 6.364 -2.938 -2.701 1.00 0.00 C ATOM 1021 O TYR A 69 7.156 -3.801 -2.323 1.00 0.00 O ATOM 1022 CB TYR A 69 4.026 -3.409 -3.455 1.00 0.00 C ATOM 1023 CG TYR A 69 4.288 -4.824 -3.921 1.00 0.00 C ATOM 1024 CD1 TYR A 69 3.751 -5.910 -3.241 1.00 0.00 C ATOM 1025 CD2 TYR A 69 5.072 -5.073 -5.040 1.00 0.00 C ATOM 1026 CE1 TYR A 69 3.988 -7.204 -3.662 1.00 0.00 C ATOM 1027 CE2 TYR A 69 5.313 -6.364 -5.469 1.00 0.00 C ATOM 1028 CZ TYR A 69 4.770 -7.426 -4.777 1.00 0.00 C ATOM 1029 OH TYR A 69 5.009 -8.713 -5.201 1.00 0.00 O ATOM 0 H TYR A 69 3.600 -1.339 -2.181 1.00 0.00 H new ATOM 0 HA TYR A 69 4.794 -3.710 -1.471 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.977 -3.317 -3.172 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.193 -2.725 -4.287 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.138 -5.740 -2.368 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.500 -4.244 -5.584 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.564 -8.037 -3.122 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.924 -6.541 -6.342 1.00 0.00 H new ATOM 0 HH TYR A 69 5.576 -8.694 -6.000 1.00 0.00 H new ATOM 1039 N GLN A 70 6.714 -1.927 -3.488 1.00 0.00 N ATOM 1040 CA GLN A 70 8.083 -1.770 -3.966 1.00 0.00 C ATOM 1041 C GLN A 70 9.065 -1.723 -2.800 1.00 0.00 C ATOM 1042 O GLN A 70 10.037 -2.477 -2.762 1.00 0.00 O ATOM 1043 CB GLN A 70 8.210 -0.498 -4.806 1.00 0.00 C ATOM 1044 CG GLN A 70 7.257 -0.453 -5.990 1.00 0.00 C ATOM 1045 CD GLN A 70 7.659 -1.407 -7.099 1.00 0.00 C ATOM 1046 OE1 GLN A 70 7.556 -2.625 -6.953 1.00 0.00 O ATOM 1047 NE2 GLN A 70 8.120 -0.856 -8.215 1.00 0.00 N ATOM 0 H GLN A 70 6.070 -1.204 -3.808 1.00 0.00 H new ATOM 0 HA GLN A 70 8.325 -2.633 -4.587 1.00 0.00 H new ATOM 0 HB2 GLN A 70 8.027 0.368 -4.169 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.234 -0.414 -5.171 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.251 -0.699 -5.651 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.221 0.562 -6.384 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.188 0.159 -8.292 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.406 -1.447 -8.995 1.00 0.00 H new ATOM 1056 N LYS A 71 8.804 -0.833 -1.849 1.00 0.00 N ATOM 1057 CA LYS A 71 9.663 -0.687 -0.680 1.00 0.00 C ATOM 1058 C LYS A 71 9.974 -2.046 -0.061 1.00 0.00 C ATOM 1059 O LYS A 71 11.128 -2.350 0.247 1.00 0.00 O ATOM 1060 CB LYS A 71 8.997 0.218 0.358 1.00 0.00 C ATOM 1061 CG LYS A 71 9.324 1.691 0.181 1.00 0.00 C ATOM 1062 CD LYS A 71 8.693 2.255 -1.081 1.00 0.00 C ATOM 1063 CE LYS A 71 9.236 3.637 -1.407 1.00 0.00 C ATOM 1064 NZ LYS A 71 9.088 3.965 -2.852 1.00 0.00 N ATOM 0 H LYS A 71 8.003 -0.201 -1.865 1.00 0.00 H new ATOM 0 HA LYS A 71 10.599 -0.231 -1.002 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.916 0.085 0.303 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.307 -0.097 1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.969 2.250 1.047 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.405 1.822 0.138 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.884 1.582 -1.917 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.612 2.308 -0.956 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.712 4.383 -0.810 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.289 3.688 -1.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.029 4.075 -3.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.576 3.197 -3.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.555 4.852 -2.954 1.00 0.00 H new ATOM 1078 N LEU A 72 8.940 -2.860 0.119 1.00 0.00 N ATOM 1079 CA LEU A 72 9.103 -4.188 0.700 1.00 0.00 C ATOM 1080 C LEU A 72 10.044 -5.040 -0.145 1.00 0.00 C ATOM 1081 O LEU A 72 11.012 -5.606 0.363 1.00 0.00 O ATOM 1082 CB LEU A 72 7.745 -4.880 0.828 1.00 0.00 C ATOM 1083 CG LEU A 72 6.997 -4.653 2.142 1.00 0.00 C ATOM 1084 CD1 LEU A 72 5.644 -5.346 2.113 1.00 0.00 C ATOM 1085 CD2 LEU A 72 7.826 -5.145 3.320 1.00 0.00 C ATOM 0 H LEU A 72 7.979 -2.624 -0.129 1.00 0.00 H new ATOM 0 HA LEU A 72 9.540 -4.073 1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.110 -4.544 0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.892 -5.952 0.698 1.00 0.00 H new ATOM 0 HG LEU A 72 6.831 -3.583 2.263 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.126 -5.173 3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.048 -4.945 1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.787 -6.417 1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.278 -4.975 4.247 1.00 0.00 H new ATOM 0 HD22 LEU A 72 8.024 -6.211 3.206 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.770 -4.602 3.352 1.00 0.00 H new ATOM 1097 N LEU A 73 9.754 -5.127 -1.439 1.00 0.00 N ATOM 1098 CA LEU A 73 10.575 -5.909 -2.357 1.00 0.00 C ATOM 1099 C LEU A 73 12.059 -5.669 -2.098 1.00 0.00 C ATOM 1100 O LEU A 73 12.867 -6.596 -2.148 1.00 0.00 O ATOM 1101 CB LEU A 73 10.234 -5.555 -3.805 1.00 0.00 C ATOM 1102 CG LEU A 73 8.795 -5.828 -4.242 1.00 0.00 C ATOM 1103 CD1 LEU A 73 8.436 -4.985 -5.456 1.00 0.00 C ATOM 1104 CD2 LEU A 73 8.601 -7.308 -4.542 1.00 0.00 C ATOM 0 H LEU A 73 8.956 -4.665 -1.876 1.00 0.00 H new ATOM 0 HA LEU A 73 10.362 -6.964 -2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.444 -4.497 -3.958 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.903 -6.111 -4.461 1.00 0.00 H new ATOM 0 HG LEU A 73 8.129 -5.552 -3.424 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.408 -5.193 -5.752 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.535 -3.928 -5.207 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.107 -5.229 -6.279 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.571 -7.485 -4.852 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.277 -7.609 -5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.816 -7.892 -3.647 1.00 0.00 H new ATOM 1116 N LYS A 74 12.411 -4.418 -1.820 1.00 0.00 N ATOM 1117 CA LYS A 74 13.797 -4.055 -1.550 1.00 0.00 C ATOM 1118 C LYS A 74 14.169 -4.364 -0.103 1.00 0.00 C ATOM 1119 O LYS A 74 15.064 -5.166 0.161 1.00 0.00 O ATOM 1120 CB LYS A 74 14.023 -2.570 -1.839 1.00 0.00 C ATOM 1121 CG LYS A 74 14.190 -2.256 -3.316 1.00 0.00 C ATOM 1122 CD LYS A 74 15.594 -2.579 -3.800 1.00 0.00 C ATOM 1123 CE LYS A 74 15.807 -2.126 -5.236 1.00 0.00 C ATOM 1124 NZ LYS A 74 16.255 -0.708 -5.310 1.00 0.00 N ATOM 0 H LYS A 74 11.755 -3.638 -1.776 1.00 0.00 H new ATOM 0 HA LYS A 74 14.435 -4.648 -2.205 1.00 0.00 H new ATOM 0 HB2 LYS A 74 13.180 -2.000 -1.448 1.00 0.00 H new ATOM 0 HB3 LYS A 74 14.911 -2.235 -1.302 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.464 -2.828 -3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 74 13.978 -1.201 -3.491 1.00 0.00 H new ATOM 0 HD2 LYS A 74 16.324 -2.093 -3.152 1.00 0.00 H new ATOM 0 HD3 LYS A 74 15.767 -3.653 -3.727 1.00 0.00 H new ATOM 0 HE2 LYS A 74 16.549 -2.767 -5.712 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.879 -2.243 -5.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.389 -0.438 -6.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.535 -0.094 -4.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 17.154 -0.601 -4.798 1.00 0.00 H new