USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 640 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 78 ASN : amide:sc= 0.623 K(o=1.5,f=-13!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -171:sc= 0.885 (180deg=-0.416) USER MOD Set 2.1: A 5 HIS : no HD1:sc= -0.974 K(o=-0.82,f=-3.2) USER MOD Set 2.2: A 6 SER OG : rot -63:sc= 0.156 USER MOD Single : A 4 LYS NZ :NH3+ -163:sc= 1.34 (180deg=1.19) USER MOD Single : A 8 SER OG : rot -31:sc= 0.58 USER MOD Single : A 10 TYR OH : rot 92:sc= 0.249 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.956 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.212 USER MOD Single : A 34 ASN : amide:sc= 0.877 K(o=0.88,f=-6.3!) USER MOD Single : A 35 LYS NZ :NH3+ -167:sc= 1.26 (180deg=1.06) USER MOD Single : A 44 THR OG1 : rot -151:sc= -0.322 USER MOD Single : A 46 HIS : no HD1:sc= -3.11! C(o=-3.1!,f=-8.9!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.125 USER MOD Single : A 54 TYR OH : rot 32:sc= 1.26 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.343 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -162:sc= 1.23 (180deg=0.673) USER MOD Single : A 81 SER OG : rot 180:sc= 0.0112 USER MOD Single : A 84 LYS NZ :NH3+ 176:sc= 1.27 (180deg=1.25) USER MOD Single : A 85 GLN :FLIP amide:sc= -1.11 F(o=-2.1,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 4 9.849 9.656 -4.432 1.00 0.00 N ATOM 36 CA LYS A 4 8.660 10.263 -3.881 1.00 0.00 C ATOM 37 C LYS A 4 8.881 10.803 -2.477 1.00 0.00 C ATOM 38 O LYS A 4 9.589 10.207 -1.669 1.00 0.00 O ATOM 39 CB LYS A 4 7.495 9.256 -3.888 1.00 0.00 C ATOM 40 CG LYS A 4 7.920 7.762 -3.902 1.00 0.00 C ATOM 41 CD LYS A 4 8.744 7.286 -2.700 1.00 0.00 C ATOM 42 CE LYS A 4 8.026 7.353 -1.362 1.00 0.00 C ATOM 43 NZ LYS A 4 8.838 6.730 -0.285 1.00 0.00 N ATOM 0 HA LYS A 4 8.409 11.113 -4.516 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.875 9.434 -3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.872 9.449 -4.761 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.021 7.150 -3.966 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.497 7.577 -4.808 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.056 6.257 -2.877 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.651 7.888 -2.639 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.818 8.393 -1.109 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.065 6.845 -1.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.231 6.528 0.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.255 5.844 -0.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.597 7.382 -0.001 1.00 0.00 H new ATOM 57 N HIS A 5 8.273 11.922 -2.201 1.00 0.00 N ATOM 58 CA HIS A 5 8.362 12.545 -0.891 1.00 0.00 C ATOM 59 C HIS A 5 7.335 11.921 0.078 1.00 0.00 C ATOM 60 O HIS A 5 7.587 11.809 1.269 1.00 0.00 O ATOM 61 CB HIS A 5 8.153 14.087 -1.001 1.00 0.00 C ATOM 62 CG HIS A 5 6.769 14.499 -1.430 1.00 0.00 C ATOM 63 ND1 HIS A 5 6.276 14.317 -2.701 1.00 0.00 N ATOM 64 CD2 HIS A 5 5.741 14.987 -0.699 1.00 0.00 C ATOM 65 CE1 HIS A 5 4.997 14.660 -2.703 1.00 0.00 C ATOM 66 NE2 HIS A 5 4.611 15.086 -1.508 1.00 0.00 N ATOM 0 H HIS A 5 7.700 12.435 -2.870 1.00 0.00 H new ATOM 0 HA HIS A 5 9.360 12.365 -0.492 1.00 0.00 H new ATOM 0 HB2 HIS A 5 8.370 14.541 -0.034 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.875 14.489 -1.711 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.789 15.257 0.346 1.00 0.00 H new ATOM 0 HE1 HIS A 5 4.351 14.600 -3.567 1.00 0.00 H new ATOM 0 HE2 HIS A 5 3.684 15.416 -1.238 1.00 0.00 H new ATOM 74 N SER A 6 6.188 11.494 -0.449 1.00 0.00 N ATOM 75 CA SER A 6 5.126 10.970 0.386 1.00 0.00 C ATOM 76 C SER A 6 4.267 10.011 -0.409 1.00 0.00 C ATOM 77 O SER A 6 4.550 9.738 -1.587 1.00 0.00 O ATOM 78 CB SER A 6 4.243 12.125 0.843 1.00 0.00 C ATOM 79 OG SER A 6 3.566 12.702 -0.269 1.00 0.00 O ATOM 0 H SER A 6 5.978 11.503 -1.447 1.00 0.00 H new ATOM 0 HA SER A 6 5.567 10.453 1.239 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.517 11.769 1.574 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.851 12.881 1.339 1.00 0.00 H new ATOM 0 HG SER A 6 4.222 13.078 -0.892 1.00 0.00 H new ATOM 85 N ILE A 7 3.215 9.521 0.226 1.00 0.00 N ATOM 86 CA ILE A 7 2.222 8.691 -0.419 1.00 0.00 C ATOM 87 C ILE A 7 1.368 9.555 -1.366 1.00 0.00 C ATOM 88 O ILE A 7 0.777 9.065 -2.308 1.00 0.00 O ATOM 89 CB ILE A 7 1.313 7.991 0.633 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.459 6.904 -0.014 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.440 8.997 1.376 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.326 6.088 0.981 1.00 0.00 C ATOM 0 H ILE A 7 3.028 9.693 1.214 1.00 0.00 H new ATOM 0 HA ILE A 7 2.732 7.917 -0.992 1.00 0.00 H new ATOM 0 HB ILE A 7 1.967 7.517 1.365 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.232 7.367 -0.719 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.104 6.240 -0.589 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.181 8.473 2.102 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.074 9.717 1.893 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.198 9.521 0.664 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.910 5.334 0.453 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.360 5.597 1.671 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.996 6.742 1.539 1.00 0.00 H new ATOM 104 N SER A 8 1.380 10.867 -1.129 1.00 0.00 N ATOM 105 CA SER A 8 0.596 11.795 -1.900 1.00 0.00 C ATOM 106 C SER A 8 1.336 12.158 -3.184 1.00 0.00 C ATOM 107 O SER A 8 0.873 12.982 -3.976 1.00 0.00 O ATOM 108 CB SER A 8 0.256 13.046 -1.060 1.00 0.00 C ATOM 109 OG SER A 8 -0.551 13.969 -1.792 1.00 0.00 O ATOM 0 H SER A 8 1.938 11.303 -0.395 1.00 0.00 H new ATOM 0 HA SER A 8 -0.348 11.326 -2.177 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.268 12.744 -0.153 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.178 13.536 -0.748 1.00 0.00 H new ATOM 0 HG SER A 8 -0.332 13.911 -2.745 1.00 0.00 H new ATOM 115 N ASP A 9 2.507 11.582 -3.356 1.00 0.00 N ATOM 116 CA ASP A 9 3.233 11.702 -4.609 1.00 0.00 C ATOM 117 C ASP A 9 2.741 10.608 -5.560 1.00 0.00 C ATOM 118 O ASP A 9 2.872 10.702 -6.780 1.00 0.00 O ATOM 119 CB ASP A 9 4.737 11.572 -4.378 1.00 0.00 C ATOM 120 CG ASP A 9 5.549 11.798 -5.635 1.00 0.00 C ATOM 121 OD1 ASP A 9 5.892 12.965 -5.935 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.902 10.826 -6.309 1.00 0.00 O ATOM 0 H ASP A 9 2.980 11.025 -2.645 1.00 0.00 H new ATOM 0 HA ASP A 9 3.051 12.684 -5.046 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.046 12.290 -3.618 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.954 10.579 -3.985 1.00 0.00 H new ATOM 127 N TYR A 10 2.138 9.593 -4.975 1.00 0.00 N ATOM 128 CA TYR A 10 1.558 8.490 -5.708 1.00 0.00 C ATOM 129 C TYR A 10 0.079 8.735 -5.888 1.00 0.00 C ATOM 130 O TYR A 10 -0.591 9.183 -4.957 1.00 0.00 O ATOM 131 CB TYR A 10 1.677 7.174 -4.916 1.00 0.00 C ATOM 132 CG TYR A 10 3.045 6.549 -4.790 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.927 6.904 -3.778 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.426 5.539 -5.659 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.123 6.281 -3.649 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.642 4.914 -5.540 1.00 0.00 C ATOM 137 CZ TYR A 10 5.488 5.286 -4.535 1.00 0.00 C ATOM 138 OH TYR A 10 6.713 4.655 -4.400 1.00 0.00 O ATOM 0 H TYR A 10 2.037 9.512 -3.963 1.00 0.00 H new ATOM 0 HA TYR A 10 2.086 8.415 -6.659 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.297 7.353 -3.910 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.016 6.442 -5.381 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.656 7.687 -3.085 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.752 5.237 -6.447 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.793 6.563 -2.851 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.927 4.137 -6.234 1.00 0.00 H new ATOM 0 HH TYR A 10 6.610 3.857 -3.841 1.00 0.00 H new ATOM 148 N THR A 11 -0.435 8.485 -7.062 1.00 0.00 N ATOM 149 CA THR A 11 -1.869 8.476 -7.235 1.00 0.00 C ATOM 150 C THR A 11 -2.407 7.195 -6.616 1.00 0.00 C ATOM 151 O THR A 11 -1.625 6.333 -6.159 1.00 0.00 O ATOM 152 CB THR A 11 -2.293 8.492 -8.723 1.00 0.00 C ATOM 153 OG1 THR A 11 -1.544 7.529 -9.444 1.00 0.00 O ATOM 154 CG2 THR A 11 -2.145 9.847 -9.366 1.00 0.00 C ATOM 0 H THR A 11 0.105 8.287 -7.904 1.00 0.00 H new ATOM 0 HA THR A 11 -2.266 9.374 -6.762 1.00 0.00 H new ATOM 0 HB THR A 11 -3.354 8.246 -8.754 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.816 7.541 -10.385 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.458 9.791 -10.408 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.767 10.570 -8.838 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.102 10.161 -9.317 1.00 0.00 H new ATOM 162 N GLU A 12 -3.704 7.038 -6.645 1.00 0.00 N ATOM 163 CA GLU A 12 -4.336 5.847 -6.140 1.00 0.00 C ATOM 164 C GLU A 12 -3.864 4.653 -6.991 1.00 0.00 C ATOM 165 O GLU A 12 -3.591 3.577 -6.480 1.00 0.00 O ATOM 166 CB GLU A 12 -5.848 6.018 -6.239 1.00 0.00 C ATOM 167 CG GLU A 12 -6.660 4.941 -5.566 1.00 0.00 C ATOM 168 CD GLU A 12 -8.130 5.142 -5.798 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.737 6.034 -5.168 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.707 4.435 -6.637 1.00 0.00 O ATOM 0 H GLU A 12 -4.352 7.731 -7.019 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.071 5.670 -5.098 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.118 6.980 -5.804 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.125 6.055 -7.292 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.360 3.965 -5.946 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.455 4.943 -4.495 1.00 0.00 H new ATOM 177 N ALA A 13 -3.687 4.914 -8.278 1.00 0.00 N ATOM 178 CA ALA A 13 -3.254 3.902 -9.240 1.00 0.00 C ATOM 179 C ALA A 13 -1.785 3.508 -9.036 1.00 0.00 C ATOM 180 O ALA A 13 -1.435 2.333 -9.115 1.00 0.00 O ATOM 181 CB ALA A 13 -3.465 4.406 -10.658 1.00 0.00 C ATOM 0 H ALA A 13 -3.839 5.835 -8.689 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.860 3.011 -9.075 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.139 3.645 -11.367 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.522 4.619 -10.815 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.885 5.316 -10.811 1.00 0.00 H new ATOM 187 N GLU A 14 -0.933 4.485 -8.771 1.00 0.00 N ATOM 188 CA GLU A 14 0.504 4.230 -8.561 1.00 0.00 C ATOM 189 C GLU A 14 0.725 3.527 -7.246 1.00 0.00 C ATOM 190 O GLU A 14 1.613 2.692 -7.112 1.00 0.00 O ATOM 191 CB GLU A 14 1.285 5.524 -8.617 1.00 0.00 C ATOM 192 CG GLU A 14 1.162 6.235 -9.938 1.00 0.00 C ATOM 193 CD GLU A 14 1.712 7.621 -9.897 1.00 0.00 C ATOM 194 OE1 GLU A 14 1.049 8.510 -9.336 1.00 0.00 O ATOM 195 OE2 GLU A 14 2.789 7.853 -10.453 1.00 0.00 O ATOM 0 H GLU A 14 -1.201 5.466 -8.694 1.00 0.00 H new ATOM 0 HA GLU A 14 0.863 3.582 -9.360 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.938 6.185 -7.823 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.337 5.315 -8.421 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.685 5.663 -10.704 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.112 6.273 -10.230 1.00 0.00 H new ATOM 202 N PHE A 15 -0.098 3.851 -6.287 1.00 0.00 N ATOM 203 CA PHE A 15 -0.069 3.185 -5.018 1.00 0.00 C ATOM 204 C PHE A 15 -0.597 1.790 -5.183 1.00 0.00 C ATOM 205 O PHE A 15 -0.192 0.890 -4.512 1.00 0.00 O ATOM 206 CB PHE A 15 -0.863 3.940 -3.983 1.00 0.00 C ATOM 207 CG PHE A 15 -0.770 3.337 -2.625 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.298 3.633 -1.810 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.757 2.483 -2.158 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.388 3.093 -0.560 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.675 1.948 -0.906 1.00 0.00 C ATOM 212 CZ PHE A 15 -0.599 2.253 -0.107 1.00 0.00 C ATOM 0 H PHE A 15 -0.805 4.582 -6.364 1.00 0.00 H new ATOM 0 HA PHE A 15 0.961 3.144 -4.664 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.509 4.970 -3.942 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.909 3.974 -4.289 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.072 4.299 -2.163 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.598 2.239 -2.791 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.233 3.326 0.071 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.451 1.289 -0.545 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.529 1.829 0.884 1.00 0.00 H new ATOM 222 N LEU A 16 -1.504 1.618 -6.069 1.00 0.00 N ATOM 223 CA LEU A 16 -2.030 0.307 -6.335 1.00 0.00 C ATOM 224 C LEU A 16 -0.972 -0.553 -7.014 1.00 0.00 C ATOM 225 O LEU A 16 -0.993 -1.780 -6.956 1.00 0.00 O ATOM 226 CB LEU A 16 -3.350 0.436 -7.089 1.00 0.00 C ATOM 227 CG LEU A 16 -4.176 -0.798 -7.190 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.637 -0.442 -7.259 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.832 -1.579 -8.397 1.00 0.00 C ATOM 0 H LEU A 16 -1.909 2.365 -6.633 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.269 -0.221 -5.412 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.947 1.208 -6.604 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.134 0.787 -8.098 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.972 -1.398 -6.303 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.230 -1.353 -7.333 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.921 0.104 -6.360 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.819 0.181 -8.135 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.453 -2.474 -8.441 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.007 -0.972 -9.285 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.782 -1.868 -8.356 1.00 0.00 H new ATOM 241 N GLU A 17 -0.055 0.089 -7.616 1.00 0.00 N ATOM 242 CA GLU A 17 1.105 -0.581 -8.098 1.00 0.00 C ATOM 243 C GLU A 17 2.082 -0.908 -6.948 1.00 0.00 C ATOM 244 O GLU A 17 2.912 -1.772 -7.116 1.00 0.00 O ATOM 245 CB GLU A 17 1.825 0.147 -9.225 1.00 0.00 C ATOM 246 CG GLU A 17 1.099 0.144 -10.551 1.00 0.00 C ATOM 247 CD GLU A 17 1.987 0.634 -11.667 1.00 0.00 C ATOM 248 OE1 GLU A 17 2.886 -0.123 -12.095 1.00 0.00 O ATOM 249 OE2 GLU A 17 1.824 1.778 -12.132 1.00 0.00 O ATOM 0 H GLU A 17 -0.076 1.093 -7.795 1.00 0.00 H new ATOM 0 HA GLU A 17 0.738 -1.511 -8.531 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.993 1.180 -8.922 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.806 -0.308 -9.363 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.753 -0.865 -10.776 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.214 0.777 -10.484 1.00 0.00 H new ATOM 256 N PHE A 18 1.966 -0.205 -5.773 1.00 0.00 N ATOM 257 CA PHE A 18 2.852 -0.470 -4.581 1.00 0.00 C ATOM 258 C PHE A 18 2.769 -1.921 -4.269 1.00 0.00 C ATOM 259 O PHE A 18 3.754 -2.627 -4.242 1.00 0.00 O ATOM 260 CB PHE A 18 2.450 0.389 -3.257 1.00 0.00 C ATOM 261 CG PHE A 18 1.709 -0.348 -2.038 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.319 -0.572 -2.032 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.422 -0.799 -0.915 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.314 -1.218 -0.952 1.00 0.00 C ATOM 265 CE2 PHE A 18 1.776 -1.435 0.146 1.00 0.00 C ATOM 266 CZ PHE A 18 0.421 -1.643 0.122 1.00 0.00 C ATOM 0 H PHE A 18 1.281 0.536 -5.625 1.00 0.00 H new ATOM 0 HA PHE A 18 3.863 -0.160 -4.845 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.365 0.833 -2.864 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.811 1.210 -3.581 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.274 -0.242 -2.872 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.491 -0.651 -0.872 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.382 -1.378 -0.971 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.351 -1.768 0.997 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.065 -2.141 0.948 1.00 0.00 H new ATOM 276 N VAL A 19 1.565 -2.358 -4.167 1.00 0.00 N ATOM 277 CA VAL A 19 1.253 -3.681 -3.757 1.00 0.00 C ATOM 278 C VAL A 19 1.582 -4.698 -4.840 1.00 0.00 C ATOM 279 O VAL A 19 2.085 -5.788 -4.553 1.00 0.00 O ATOM 280 CB VAL A 19 -0.222 -3.761 -3.294 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.183 -3.324 -4.366 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.563 -5.112 -2.726 1.00 0.00 C ATOM 0 H VAL A 19 0.745 -1.788 -4.373 1.00 0.00 H new ATOM 0 HA VAL A 19 1.881 -3.938 -2.904 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.334 -3.046 -2.479 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.204 -3.399 -3.992 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.973 -2.291 -4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.069 -3.965 -5.240 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.607 -5.123 -2.414 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.404 -5.877 -3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.075 -5.317 -1.866 1.00 0.00 H new ATOM 292 N LYS A 20 1.349 -4.323 -6.074 1.00 0.00 N ATOM 293 CA LYS A 20 1.661 -5.190 -7.172 1.00 0.00 C ATOM 294 C LYS A 20 3.182 -5.357 -7.289 1.00 0.00 C ATOM 295 O LYS A 20 3.687 -6.453 -7.563 1.00 0.00 O ATOM 296 CB LYS A 20 1.081 -4.670 -8.469 1.00 0.00 C ATOM 297 CG LYS A 20 -0.423 -4.591 -8.440 1.00 0.00 C ATOM 298 CD LYS A 20 -0.975 -4.431 -9.816 1.00 0.00 C ATOM 299 CE LYS A 20 -2.474 -4.371 -9.825 1.00 0.00 C ATOM 300 NZ LYS A 20 -3.028 -4.450 -11.196 1.00 0.00 N ATOM 0 H LYS A 20 0.945 -3.424 -6.338 1.00 0.00 H new ATOM 0 HA LYS A 20 1.209 -6.163 -6.978 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.489 -3.680 -8.674 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.391 -5.319 -9.288 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.830 -5.493 -7.984 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.735 -3.751 -7.819 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.575 -3.521 -10.262 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.643 -5.263 -10.437 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.872 -5.190 -9.226 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.802 -3.444 -9.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.066 -4.405 -11.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.669 -3.654 -11.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.738 -5.346 -11.636 1.00 0.00 H new ATOM 314 N LYS A 21 3.899 -4.262 -7.036 1.00 0.00 N ATOM 315 CA LYS A 21 5.352 -4.237 -7.034 1.00 0.00 C ATOM 316 C LYS A 21 5.870 -5.106 -5.896 1.00 0.00 C ATOM 317 O LYS A 21 6.856 -5.797 -6.043 1.00 0.00 O ATOM 318 CB LYS A 21 5.883 -2.789 -6.871 1.00 0.00 C ATOM 319 CG LYS A 21 7.397 -2.666 -7.027 1.00 0.00 C ATOM 320 CD LYS A 21 7.925 -1.251 -6.740 1.00 0.00 C ATOM 321 CE LYS A 21 7.299 -0.190 -7.639 1.00 0.00 C ATOM 322 NZ LYS A 21 7.969 1.122 -7.485 1.00 0.00 N ATOM 0 H LYS A 21 3.476 -3.358 -6.825 1.00 0.00 H new ATOM 0 HA LYS A 21 5.708 -4.625 -7.989 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.398 -2.149 -7.608 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.597 -2.416 -5.888 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.883 -3.371 -6.353 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.675 -2.951 -8.042 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.728 -0.999 -5.698 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.007 -1.239 -6.871 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.361 -0.511 -8.679 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.240 -0.089 -7.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.517 1.818 -8.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.888 1.440 -6.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.974 1.030 -7.737 1.00 0.00 H new ATOM 336 N ILE A 22 5.180 -5.075 -4.770 1.00 0.00 N ATOM 337 CA ILE A 22 5.563 -5.892 -3.629 1.00 0.00 C ATOM 338 C ILE A 22 5.364 -7.371 -3.942 1.00 0.00 C ATOM 339 O ILE A 22 6.207 -8.195 -3.623 1.00 0.00 O ATOM 340 CB ILE A 22 4.800 -5.497 -2.341 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.085 -4.037 -2.015 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.221 -6.389 -1.178 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.398 -3.525 -0.790 1.00 0.00 C ATOM 0 H ILE A 22 4.354 -4.496 -4.620 1.00 0.00 H new ATOM 0 HA ILE A 22 6.621 -5.709 -3.441 1.00 0.00 H new ATOM 0 HB ILE A 22 3.730 -5.630 -2.503 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.161 -3.910 -1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.787 -3.424 -2.865 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.675 -6.098 -0.280 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.998 -7.429 -1.417 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.291 -6.279 -1.004 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.660 -2.478 -0.637 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.319 -3.615 -0.914 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.714 -4.108 0.075 1.00 0.00 H new ATOM 355 N CYS A 23 4.286 -7.689 -4.631 1.00 0.00 N ATOM 356 CA CYS A 23 3.999 -9.061 -5.021 1.00 0.00 C ATOM 357 C CYS A 23 5.132 -9.627 -5.908 1.00 0.00 C ATOM 358 O CYS A 23 5.413 -10.815 -5.883 1.00 0.00 O ATOM 359 CB CYS A 23 2.640 -9.147 -5.737 1.00 0.00 C ATOM 360 SG CYS A 23 2.133 -10.824 -6.190 1.00 0.00 S ATOM 0 H CYS A 23 3.587 -7.011 -4.936 1.00 0.00 H new ATOM 0 HA CYS A 23 3.944 -9.671 -4.119 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.876 -8.712 -5.092 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.680 -8.537 -6.640 1.00 0.00 H new ATOM 0 HG CYS A 23 0.977 -10.782 -6.784 1.00 0.00 H new ATOM 366 N ARG A 24 5.804 -8.757 -6.656 1.00 0.00 N ATOM 367 CA ARG A 24 6.906 -9.197 -7.497 1.00 0.00 C ATOM 368 C ARG A 24 8.263 -8.939 -6.845 1.00 0.00 C ATOM 369 O ARG A 24 9.299 -9.298 -7.399 1.00 0.00 O ATOM 370 CB ARG A 24 6.879 -8.528 -8.854 1.00 0.00 C ATOM 371 CG ARG A 24 7.074 -7.050 -8.804 1.00 0.00 C ATOM 372 CD ARG A 24 7.137 -6.466 -10.169 1.00 0.00 C ATOM 373 NE ARG A 24 8.303 -6.934 -10.935 1.00 0.00 N ATOM 374 CZ ARG A 24 9.016 -6.181 -11.789 1.00 0.00 C ATOM 375 NH1 ARG A 24 8.722 -4.898 -11.954 1.00 0.00 N ATOM 376 NH2 ARG A 24 10.027 -6.711 -12.455 1.00 0.00 N ATOM 0 H ARG A 24 5.607 -7.757 -6.696 1.00 0.00 H new ATOM 0 HA ARG A 24 6.773 -10.271 -7.624 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.657 -8.966 -9.480 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.925 -8.743 -9.335 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.256 -6.592 -8.248 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.993 -6.821 -8.265 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.226 -6.720 -10.711 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.170 -5.379 -10.093 1.00 0.00 H new ATOM 0 HE ARG A 24 8.592 -7.904 -10.808 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.952 -4.480 -11.431 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.266 -4.330 -12.603 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.267 -7.693 -12.321 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.567 -6.138 -13.103 1.00 0.00 H new ATOM 390 N ALA A 25 8.248 -8.381 -5.648 1.00 0.00 N ATOM 391 CA ALA A 25 9.463 -7.909 -4.973 1.00 0.00 C ATOM 392 C ALA A 25 10.300 -9.034 -4.339 1.00 0.00 C ATOM 393 O ALA A 25 11.153 -8.798 -3.494 1.00 0.00 O ATOM 394 CB ALA A 25 9.111 -6.864 -3.944 1.00 0.00 C ATOM 0 H ALA A 25 7.395 -8.238 -5.108 1.00 0.00 H new ATOM 0 HA ALA A 25 10.094 -7.470 -5.746 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.019 -6.520 -3.449 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.623 -6.021 -4.434 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.435 -7.294 -3.205 1.00 0.00 H new ATOM 400 N GLU A 26 10.093 -10.235 -4.783 1.00 0.00 N ATOM 401 CA GLU A 26 10.883 -11.361 -4.339 1.00 0.00 C ATOM 402 C GLU A 26 12.052 -11.571 -5.309 1.00 0.00 C ATOM 403 O GLU A 26 12.589 -12.685 -5.416 1.00 0.00 O ATOM 404 CB GLU A 26 10.028 -12.625 -4.284 1.00 0.00 C ATOM 405 CG GLU A 26 9.327 -12.942 -5.587 1.00 0.00 C ATOM 406 CD GLU A 26 8.789 -14.335 -5.619 1.00 0.00 C ATOM 407 OE1 GLU A 26 7.730 -14.596 -5.012 1.00 0.00 O ATOM 408 OE2 GLU A 26 9.420 -15.208 -6.277 1.00 0.00 O ATOM 0 H GLU A 26 9.372 -10.471 -5.465 1.00 0.00 H new ATOM 0 HA GLU A 26 11.264 -11.155 -3.339 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.660 -13.469 -4.007 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.281 -12.514 -3.498 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.510 -12.236 -5.738 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.024 -12.805 -6.414 1.00 0.00 H new ATOM 415 N GLY A 27 12.441 -10.479 -5.989 1.00 0.00 N ATOM 416 CA GLY A 27 13.501 -10.484 -6.984 1.00 0.00 C ATOM 417 C GLY A 27 14.754 -11.140 -6.498 1.00 0.00 C ATOM 418 O GLY A 27 15.256 -12.085 -7.128 1.00 0.00 O ATOM 0 H GLY A 27 12.016 -9.562 -5.854 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.150 -11.000 -7.878 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.724 -9.457 -7.275 1.00 0.00 H new ATOM 422 N ALA A 28 15.272 -10.662 -5.392 1.00 0.00 N ATOM 423 CA ALA A 28 16.411 -11.300 -4.797 1.00 0.00 C ATOM 424 C ALA A 28 15.909 -12.353 -3.835 1.00 0.00 C ATOM 425 O ALA A 28 16.121 -13.534 -4.019 1.00 0.00 O ATOM 426 CB ALA A 28 17.285 -10.282 -4.085 1.00 0.00 C ATOM 0 H ALA A 28 14.925 -9.843 -4.894 1.00 0.00 H new ATOM 0 HA ALA A 28 17.025 -11.767 -5.567 1.00 0.00 H new ATOM 0 HB1 ALA A 28 18.143 -10.786 -3.641 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.633 -9.537 -4.801 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.707 -9.791 -3.302 1.00 0.00 H new ATOM 432 N THR A 29 15.212 -11.901 -2.832 1.00 0.00 N ATOM 433 CA THR A 29 14.620 -12.727 -1.813 1.00 0.00 C ATOM 434 C THR A 29 13.486 -11.851 -1.245 1.00 0.00 C ATOM 435 O THR A 29 13.429 -10.662 -1.608 1.00 0.00 O ATOM 436 CB THR A 29 15.672 -13.050 -0.694 1.00 0.00 C ATOM 437 OG1 THR A 29 16.936 -13.413 -1.287 1.00 0.00 O ATOM 438 CG2 THR A 29 15.213 -14.206 0.179 1.00 0.00 C ATOM 0 H THR A 29 15.032 -10.906 -2.694 1.00 0.00 H new ATOM 0 HA THR A 29 14.266 -13.685 -2.195 1.00 0.00 H new ATOM 0 HB THR A 29 15.779 -12.154 -0.083 1.00 0.00 H new ATOM 0 HG1 THR A 29 17.585 -13.611 -0.579 1.00 0.00 H new ATOM 0 HG21 THR A 29 15.964 -14.405 0.944 1.00 0.00 H new ATOM 0 HG22 THR A 29 14.268 -13.948 0.656 1.00 0.00 H new ATOM 0 HG23 THR A 29 15.078 -15.095 -0.436 1.00 0.00 H new ATOM 446 N GLU A 30 12.615 -12.370 -0.368 1.00 0.00 N ATOM 447 CA GLU A 30 11.515 -11.611 0.171 1.00 0.00 C ATOM 448 C GLU A 30 11.938 -10.467 1.122 1.00 0.00 C ATOM 449 O GLU A 30 11.093 -9.813 1.736 1.00 0.00 O ATOM 450 CB GLU A 30 10.541 -12.531 0.850 1.00 0.00 C ATOM 451 CG GLU A 30 9.802 -13.471 -0.080 1.00 0.00 C ATOM 452 CD GLU A 30 8.671 -14.176 0.617 1.00 0.00 C ATOM 453 OE1 GLU A 30 8.917 -15.145 1.357 1.00 0.00 O ATOM 454 OE2 GLU A 30 7.511 -13.769 0.450 1.00 0.00 O ATOM 0 H GLU A 30 12.667 -13.328 -0.023 1.00 0.00 H new ATOM 0 HA GLU A 30 11.039 -11.121 -0.678 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.078 -13.123 1.591 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.811 -11.929 1.391 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.412 -12.909 -0.929 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.498 -14.208 -0.479 1.00 0.00 H new ATOM 461 N GLU A 31 13.220 -10.230 1.241 1.00 0.00 N ATOM 462 CA GLU A 31 13.702 -9.103 1.999 1.00 0.00 C ATOM 463 C GLU A 31 13.533 -7.835 1.168 1.00 0.00 C ATOM 464 O GLU A 31 13.359 -6.751 1.706 1.00 0.00 O ATOM 465 CB GLU A 31 15.158 -9.307 2.419 1.00 0.00 C ATOM 466 CG GLU A 31 16.107 -9.524 1.260 1.00 0.00 C ATOM 467 CD GLU A 31 17.521 -9.718 1.705 1.00 0.00 C ATOM 468 OE1 GLU A 31 18.255 -8.724 1.847 1.00 0.00 O ATOM 469 OE2 GLU A 31 17.932 -10.871 1.899 1.00 0.00 O ATOM 0 H GLU A 31 13.951 -10.804 0.821 1.00 0.00 H new ATOM 0 HA GLU A 31 13.119 -9.006 2.915 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.487 -8.437 2.987 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.216 -10.165 3.088 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.786 -10.396 0.691 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.056 -8.668 0.588 1.00 0.00 H new ATOM 476 N ASP A 32 13.528 -8.000 -0.169 1.00 0.00 N ATOM 477 CA ASP A 32 13.315 -6.873 -1.082 1.00 0.00 C ATOM 478 C ASP A 32 11.852 -6.464 -0.992 1.00 0.00 C ATOM 479 O ASP A 32 11.499 -5.283 -1.043 1.00 0.00 O ATOM 480 CB ASP A 32 13.699 -7.239 -2.528 1.00 0.00 C ATOM 481 CG ASP A 32 13.612 -6.050 -3.469 1.00 0.00 C ATOM 482 OD1 ASP A 32 14.494 -5.152 -3.406 1.00 0.00 O ATOM 483 OD2 ASP A 32 12.680 -5.974 -4.278 1.00 0.00 O ATOM 0 H ASP A 32 13.668 -8.898 -0.633 1.00 0.00 H new ATOM 0 HA ASP A 32 13.955 -6.040 -0.792 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.714 -7.636 -2.542 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.042 -8.031 -2.886 1.00 0.00 H new ATOM 488 N ASP A 33 11.027 -7.484 -0.800 1.00 0.00 N ATOM 489 CA ASP A 33 9.584 -7.372 -0.539 1.00 0.00 C ATOM 490 C ASP A 33 9.362 -6.515 0.695 1.00 0.00 C ATOM 491 O ASP A 33 8.792 -5.421 0.618 1.00 0.00 O ATOM 492 CB ASP A 33 9.028 -8.806 -0.310 1.00 0.00 C ATOM 493 CG ASP A 33 7.573 -8.912 0.148 1.00 0.00 C ATOM 494 OD1 ASP A 33 7.295 -8.694 1.353 1.00 0.00 O ATOM 495 OD2 ASP A 33 6.721 -9.334 -0.664 1.00 0.00 O ATOM 0 H ASP A 33 11.349 -8.452 -0.821 1.00 0.00 H new ATOM 0 HA ASP A 33 9.071 -6.905 -1.380 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.134 -9.365 -1.240 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.655 -9.300 0.432 1.00 0.00 H new ATOM 500 N ASN A 34 9.905 -6.987 1.802 1.00 0.00 N ATOM 501 CA ASN A 34 9.786 -6.351 3.111 1.00 0.00 C ATOM 502 C ASN A 34 10.308 -4.905 3.073 1.00 0.00 C ATOM 503 O ASN A 34 9.696 -4.013 3.630 1.00 0.00 O ATOM 504 CB ASN A 34 10.557 -7.211 4.128 1.00 0.00 C ATOM 505 CG ASN A 34 10.410 -6.820 5.594 1.00 0.00 C ATOM 506 OD1 ASN A 34 10.212 -5.682 5.947 1.00 0.00 O ATOM 507 ND2 ASN A 34 10.521 -7.790 6.459 1.00 0.00 N ATOM 0 H ASN A 34 10.456 -7.845 1.821 1.00 0.00 H new ATOM 0 HA ASN A 34 8.739 -6.290 3.407 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.233 -8.246 4.016 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.616 -7.179 3.870 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.441 -7.595 7.457 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.688 -8.743 6.137 1.00 0.00 H new ATOM 514 N LYS A 35 11.394 -4.693 2.345 1.00 0.00 N ATOM 515 CA LYS A 35 12.031 -3.418 2.162 1.00 0.00 C ATOM 516 C LYS A 35 11.033 -2.387 1.620 1.00 0.00 C ATOM 517 O LYS A 35 10.952 -1.252 2.123 1.00 0.00 O ATOM 518 CB LYS A 35 13.160 -3.663 1.177 1.00 0.00 C ATOM 519 CG LYS A 35 13.771 -2.451 0.598 1.00 0.00 C ATOM 520 CD LYS A 35 14.575 -2.786 -0.661 1.00 0.00 C ATOM 521 CE LYS A 35 15.661 -3.826 -0.410 1.00 0.00 C ATOM 522 NZ LYS A 35 16.330 -4.242 -1.661 1.00 0.00 N ATOM 0 H LYS A 35 11.869 -5.446 1.847 1.00 0.00 H new ATOM 0 HA LYS A 35 12.407 -3.014 3.102 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.939 -4.237 1.679 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.782 -4.282 0.364 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.992 -1.728 0.354 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.422 -1.981 1.335 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.898 -3.154 -1.432 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.033 -1.875 -1.047 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.401 -3.418 0.278 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.222 -4.699 0.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.898 -5.095 -1.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.613 -4.447 -2.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 16.950 -3.476 -1.994 1.00 0.00 H new ATOM 536 N LEU A 36 10.272 -2.785 0.623 1.00 0.00 N ATOM 537 CA LEU A 36 9.266 -1.918 0.066 1.00 0.00 C ATOM 538 C LEU A 36 8.136 -1.744 1.043 1.00 0.00 C ATOM 539 O LEU A 36 7.705 -0.615 1.307 1.00 0.00 O ATOM 540 CB LEU A 36 8.730 -2.461 -1.250 1.00 0.00 C ATOM 541 CG LEU A 36 9.701 -2.491 -2.421 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.012 -3.071 -3.632 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.222 -1.090 -2.727 1.00 0.00 C ATOM 0 H LEU A 36 10.334 -3.704 0.184 1.00 0.00 H new ATOM 0 HA LEU A 36 9.730 -0.952 -0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.371 -3.476 -1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.866 -1.862 -1.539 1.00 0.00 H new ATOM 0 HG LEU A 36 10.553 -3.117 -2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.708 -3.092 -4.471 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.679 -4.085 -3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.151 -2.455 -3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.915 -1.135 -3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.386 -0.438 -2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.738 -0.695 -1.852 1.00 0.00 H new ATOM 555 N VAL A 37 7.696 -2.863 1.619 1.00 0.00 N ATOM 556 CA VAL A 37 6.585 -2.875 2.563 1.00 0.00 C ATOM 557 C VAL A 37 6.803 -1.855 3.684 1.00 0.00 C ATOM 558 O VAL A 37 5.899 -1.109 4.027 1.00 0.00 O ATOM 559 CB VAL A 37 6.342 -4.280 3.201 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.131 -4.219 4.097 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.108 -5.333 2.146 1.00 0.00 C ATOM 0 H VAL A 37 8.100 -3.783 1.443 1.00 0.00 H new ATOM 0 HA VAL A 37 5.702 -2.610 1.982 1.00 0.00 H new ATOM 0 HB VAL A 37 7.232 -4.548 3.770 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.959 -5.198 4.544 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.298 -3.485 4.885 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.259 -3.929 3.511 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.943 -6.298 2.625 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.232 -5.067 1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.980 -5.396 1.495 1.00 0.00 H new ATOM 571 N ARG A 38 8.024 -1.801 4.201 1.00 0.00 N ATOM 572 CA ARG A 38 8.359 -0.902 5.303 1.00 0.00 C ATOM 573 C ARG A 38 8.099 0.553 4.946 1.00 0.00 C ATOM 574 O ARG A 38 7.421 1.257 5.690 1.00 0.00 O ATOM 575 CB ARG A 38 9.813 -1.048 5.735 1.00 0.00 C ATOM 576 CG ARG A 38 10.209 -2.442 6.130 1.00 0.00 C ATOM 577 CD ARG A 38 11.661 -2.503 6.516 1.00 0.00 C ATOM 578 NE ARG A 38 12.127 -3.888 6.648 1.00 0.00 N ATOM 579 CZ ARG A 38 13.401 -4.270 6.842 1.00 0.00 C ATOM 580 NH1 ARG A 38 14.348 -3.359 7.049 1.00 0.00 N ATOM 581 NH2 ARG A 38 13.717 -5.568 6.837 1.00 0.00 N ATOM 0 H ARG A 38 8.804 -2.372 3.874 1.00 0.00 H new ATOM 0 HA ARG A 38 7.710 -1.190 6.130 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.456 -0.719 4.919 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.998 -0.379 6.576 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.593 -2.776 6.965 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.021 -3.125 5.302 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.260 -1.987 5.765 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.810 -1.977 7.459 1.00 0.00 H new ATOM 0 HE ARG A 38 11.424 -4.624 6.587 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.108 -2.368 7.061 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.314 -3.652 7.196 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.992 -6.269 6.686 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.684 -5.858 6.984 1.00 0.00 H new ATOM 595 N GLU A 39 8.623 1.011 3.804 1.00 0.00 N ATOM 596 CA GLU A 39 8.451 2.424 3.457 1.00 0.00 C ATOM 597 C GLU A 39 7.002 2.739 3.160 1.00 0.00 C ATOM 598 O GLU A 39 6.496 3.777 3.573 1.00 0.00 O ATOM 599 CB GLU A 39 9.351 2.911 2.310 1.00 0.00 C ATOM 600 CG GLU A 39 8.982 2.455 0.908 1.00 0.00 C ATOM 601 CD GLU A 39 9.844 3.136 -0.119 1.00 0.00 C ATOM 602 OE1 GLU A 39 11.007 2.736 -0.292 1.00 0.00 O ATOM 603 OE2 GLU A 39 9.385 4.119 -0.762 1.00 0.00 O ATOM 0 H GLU A 39 9.147 0.452 3.131 1.00 0.00 H new ATOM 0 HA GLU A 39 8.771 2.975 4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.357 4.001 2.322 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.370 2.585 2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.100 1.374 0.829 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.933 2.676 0.713 1.00 0.00 H new ATOM 610 N PHE A 40 6.324 1.824 2.485 1.00 0.00 N ATOM 611 CA PHE A 40 4.938 2.023 2.151 1.00 0.00 C ATOM 612 C PHE A 40 4.077 2.050 3.390 1.00 0.00 C ATOM 613 O PHE A 40 3.191 2.874 3.504 1.00 0.00 O ATOM 614 CB PHE A 40 4.434 1.014 1.126 1.00 0.00 C ATOM 615 CG PHE A 40 5.001 1.204 -0.269 1.00 0.00 C ATOM 616 CD1 PHE A 40 4.668 2.321 -1.016 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.830 0.258 -0.839 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.159 2.488 -2.297 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.327 0.420 -2.118 1.00 0.00 C ATOM 620 CZ PHE A 40 5.991 1.533 -2.849 1.00 0.00 C ATOM 0 H PHE A 40 6.718 0.940 2.162 1.00 0.00 H new ATOM 0 HA PHE A 40 4.861 3.001 1.675 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.679 0.010 1.471 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.347 1.077 1.075 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.017 3.071 -0.592 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.095 -0.624 -0.275 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.892 3.366 -2.867 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.980 -0.328 -2.543 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.375 1.661 -3.850 1.00 0.00 H new ATOM 630 N GLU A 41 4.389 1.207 4.344 1.00 0.00 N ATOM 631 CA GLU A 41 3.677 1.194 5.594 1.00 0.00 C ATOM 632 C GLU A 41 3.930 2.408 6.462 1.00 0.00 C ATOM 633 O GLU A 41 3.140 2.733 7.338 1.00 0.00 O ATOM 634 CB GLU A 41 3.827 -0.128 6.321 1.00 0.00 C ATOM 635 CG GLU A 41 2.888 -1.121 5.708 1.00 0.00 C ATOM 636 CD GLU A 41 1.518 -0.508 5.690 1.00 0.00 C ATOM 637 OE1 GLU A 41 0.946 -0.365 6.785 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.009 -0.152 4.620 1.00 0.00 O ATOM 0 H GLU A 41 5.137 0.517 4.275 1.00 0.00 H new ATOM 0 HA GLU A 41 2.621 1.279 5.339 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.854 -0.485 6.249 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.606 -0.004 7.381 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.206 -1.374 4.697 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.884 -2.048 6.282 1.00 0.00 H new ATOM 645 N ARG A 42 5.004 3.098 6.194 1.00 0.00 N ATOM 646 CA ARG A 42 5.292 4.359 6.868 1.00 0.00 C ATOM 647 C ARG A 42 4.587 5.493 6.137 1.00 0.00 C ATOM 648 O ARG A 42 4.319 6.555 6.708 1.00 0.00 O ATOM 649 CB ARG A 42 6.796 4.591 6.924 1.00 0.00 C ATOM 650 CG ARG A 42 7.518 3.605 7.820 1.00 0.00 C ATOM 651 CD ARG A 42 9.033 3.658 7.633 1.00 0.00 C ATOM 652 NE ARG A 42 9.585 5.012 7.806 1.00 0.00 N ATOM 653 CZ ARG A 42 10.878 5.343 7.662 1.00 0.00 C ATOM 654 NH1 ARG A 42 11.805 4.399 7.504 1.00 0.00 N ATOM 655 NH2 ARG A 42 11.243 6.620 7.709 1.00 0.00 N ATOM 0 H ARG A 42 5.706 2.816 5.510 1.00 0.00 H new ATOM 0 HA ARG A 42 4.922 4.322 7.893 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.205 4.524 5.916 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.988 5.603 7.279 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.274 3.817 8.861 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.163 2.597 7.608 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.506 2.984 8.348 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.284 3.293 6.637 1.00 0.00 H new ATOM 0 HE ARG A 42 8.934 5.757 8.055 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.535 3.416 7.492 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.785 4.660 7.395 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.541 7.346 7.854 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.225 6.874 7.600 1.00 0.00 H new ATOM 669 N LEU A 43 4.275 5.240 4.887 1.00 0.00 N ATOM 670 CA LEU A 43 3.555 6.164 4.041 1.00 0.00 C ATOM 671 C LEU A 43 2.065 6.114 4.368 1.00 0.00 C ATOM 672 O LEU A 43 1.372 7.134 4.368 1.00 0.00 O ATOM 673 CB LEU A 43 3.778 5.805 2.559 1.00 0.00 C ATOM 674 CG LEU A 43 5.174 6.050 1.979 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.232 5.605 0.533 1.00 0.00 C ATOM 676 CD2 LEU A 43 5.537 7.516 2.070 1.00 0.00 C ATOM 0 H LEU A 43 4.520 4.367 4.420 1.00 0.00 H new ATOM 0 HA LEU A 43 3.926 7.173 4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.539 4.750 2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.061 6.371 1.963 1.00 0.00 H new ATOM 0 HG LEU A 43 5.889 5.469 2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.231 5.786 0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.004 4.541 0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.503 6.167 -0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.532 7.671 1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.812 8.106 1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.528 7.829 3.114 1.00 0.00 H new ATOM 688 N THR A 44 1.594 4.933 4.662 1.00 0.00 N ATOM 689 CA THR A 44 0.207 4.706 4.963 1.00 0.00 C ATOM 690 C THR A 44 -0.064 4.913 6.432 1.00 0.00 C ATOM 691 O THR A 44 -1.118 5.470 6.814 1.00 0.00 O ATOM 692 CB THR A 44 -0.150 3.270 4.577 1.00 0.00 C ATOM 693 OG1 THR A 44 0.745 2.394 5.245 1.00 0.00 O ATOM 694 CG2 THR A 44 0.020 3.111 3.099 1.00 0.00 C ATOM 0 H THR A 44 2.169 4.092 4.700 1.00 0.00 H new ATOM 0 HA THR A 44 -0.400 5.414 4.399 1.00 0.00 H new ATOM 0 HB THR A 44 -1.179 3.043 4.856 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.861 1.578 4.715 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.232 2.090 2.812 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.639 3.807 2.580 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.055 3.320 2.827 1.00 0.00 H new ATOM 702 N GLU A 45 0.915 4.478 7.258 1.00 0.00 N ATOM 703 CA GLU A 45 0.822 4.463 8.711 1.00 0.00 C ATOM 704 C GLU A 45 -0.311 3.510 9.068 1.00 0.00 C ATOM 705 O GLU A 45 -0.989 3.638 10.105 1.00 0.00 O ATOM 706 CB GLU A 45 0.591 5.880 9.260 1.00 0.00 C ATOM 707 CG GLU A 45 1.639 6.873 8.801 1.00 0.00 C ATOM 708 CD GLU A 45 1.409 8.266 9.315 1.00 0.00 C ATOM 709 OE1 GLU A 45 0.526 8.959 8.798 1.00 0.00 O ATOM 710 OE2 GLU A 45 2.132 8.715 10.235 1.00 0.00 O ATOM 0 H GLU A 45 1.806 4.123 6.911 1.00 0.00 H new ATOM 0 HA GLU A 45 1.751 4.120 9.166 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.393 6.229 8.947 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.585 5.845 10.349 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.621 6.531 9.128 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.656 6.894 7.711 1.00 0.00 H new ATOM 717 N HIS A 46 -0.478 2.516 8.196 1.00 0.00 N ATOM 718 CA HIS A 46 -1.540 1.582 8.297 1.00 0.00 C ATOM 719 C HIS A 46 -1.157 0.443 9.288 1.00 0.00 C ATOM 720 O HIS A 46 -0.027 0.001 9.336 1.00 0.00 O ATOM 721 CB HIS A 46 -1.958 1.067 6.873 1.00 0.00 C ATOM 722 CG HIS A 46 -3.217 0.259 6.878 1.00 0.00 C ATOM 723 ND1 HIS A 46 -3.276 -1.044 7.274 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.494 0.652 6.711 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.558 -1.386 7.386 1.00 0.00 C ATOM 726 NE2 HIS A 46 -5.342 -0.394 7.041 1.00 0.00 N ATOM 0 H HIS A 46 0.140 2.356 7.400 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.424 2.067 8.711 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.087 1.922 6.209 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.149 0.463 6.462 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.808 1.628 6.373 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.906 -2.353 7.717 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.362 -0.392 7.020 1.00 0.00 H new ATOM 734 N PRO A 47 -2.103 0.027 10.126 1.00 0.00 N ATOM 735 CA PRO A 47 -1.894 -0.972 11.183 1.00 0.00 C ATOM 736 C PRO A 47 -1.586 -2.348 10.704 1.00 0.00 C ATOM 737 O PRO A 47 -0.728 -3.037 11.253 1.00 0.00 O ATOM 738 CB PRO A 47 -3.234 -1.013 11.880 1.00 0.00 C ATOM 739 CG PRO A 47 -4.205 -0.372 10.984 1.00 0.00 C ATOM 740 CD PRO A 47 -3.446 0.553 10.152 1.00 0.00 C ATOM 0 HA PRO A 47 -1.034 -0.688 11.789 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.526 -2.041 12.093 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.188 -0.490 12.835 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.718 -1.114 10.372 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.970 0.156 11.553 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.865 0.613 9.147 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.466 1.561 10.566 1.00 0.00 H new ATOM 748 N ASP A 48 -2.277 -2.747 9.700 1.00 0.00 N ATOM 749 CA ASP A 48 -2.215 -4.093 9.248 1.00 0.00 C ATOM 750 C ASP A 48 -1.693 -4.084 7.873 1.00 0.00 C ATOM 751 O ASP A 48 -1.818 -5.040 7.163 1.00 0.00 O ATOM 752 CB ASP A 48 -3.605 -4.748 9.240 1.00 0.00 C ATOM 753 CG ASP A 48 -4.261 -4.796 10.586 1.00 0.00 C ATOM 754 OD1 ASP A 48 -3.947 -5.701 11.383 1.00 0.00 O ATOM 755 OD2 ASP A 48 -5.125 -3.937 10.865 1.00 0.00 O ATOM 0 H ASP A 48 -2.905 -2.148 9.164 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.574 -4.663 9.920 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.250 -4.201 8.552 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.515 -5.763 8.854 1.00 0.00 H new ATOM 760 N GLY A 49 -1.086 -2.970 7.518 1.00 0.00 N ATOM 761 CA GLY A 49 -0.617 -2.748 6.133 1.00 0.00 C ATOM 762 C GLY A 49 0.256 -3.810 5.601 1.00 0.00 C ATOM 763 O GLY A 49 0.051 -4.285 4.487 1.00 0.00 O ATOM 0 H GLY A 49 -0.898 -2.196 8.155 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.485 -2.650 5.481 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.079 -1.801 6.093 1.00 0.00 H new ATOM 767 N SER A 50 1.208 -4.198 6.373 1.00 0.00 N ATOM 768 CA SER A 50 2.073 -5.270 5.962 1.00 0.00 C ATOM 769 C SER A 50 1.260 -6.572 5.832 1.00 0.00 C ATOM 770 O SER A 50 1.319 -7.241 4.797 1.00 0.00 O ATOM 771 CB SER A 50 3.230 -5.417 6.929 1.00 0.00 C ATOM 772 OG SER A 50 3.818 -4.140 7.160 1.00 0.00 O ATOM 0 H SER A 50 1.415 -3.799 7.289 1.00 0.00 H new ATOM 0 HA SER A 50 2.499 -5.041 4.985 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.881 -5.844 7.869 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.973 -6.104 6.523 1.00 0.00 H new ATOM 0 HG SER A 50 4.566 -4.233 7.787 1.00 0.00 H new ATOM 778 N ASP A 51 0.432 -6.865 6.844 1.00 0.00 N ATOM 779 CA ASP A 51 -0.409 -8.069 6.835 1.00 0.00 C ATOM 780 C ASP A 51 -1.361 -8.091 5.658 1.00 0.00 C ATOM 781 O ASP A 51 -1.622 -9.132 5.143 1.00 0.00 O ATOM 782 CB ASP A 51 -1.194 -8.286 8.146 1.00 0.00 C ATOM 783 CG ASP A 51 -0.330 -8.699 9.315 1.00 0.00 C ATOM 784 OD1 ASP A 51 0.224 -9.809 9.306 1.00 0.00 O ATOM 785 OD2 ASP A 51 -0.171 -7.897 10.278 1.00 0.00 O ATOM 0 H ASP A 51 0.327 -6.286 7.677 1.00 0.00 H new ATOM 0 HA ASP A 51 0.294 -8.896 6.738 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.718 -7.365 8.401 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.954 -9.050 7.981 1.00 0.00 H new ATOM 790 N LEU A 52 -1.830 -6.920 5.213 1.00 0.00 N ATOM 791 CA LEU A 52 -2.752 -6.795 4.050 1.00 0.00 C ATOM 792 C LEU A 52 -2.178 -7.474 2.826 1.00 0.00 C ATOM 793 O LEU A 52 -2.887 -8.102 2.048 1.00 0.00 O ATOM 794 CB LEU A 52 -2.975 -5.318 3.663 1.00 0.00 C ATOM 795 CG LEU A 52 -3.567 -4.388 4.703 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.738 -3.002 4.103 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.891 -4.922 5.224 1.00 0.00 C ATOM 0 H LEU A 52 -1.589 -6.026 5.640 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.689 -7.261 4.356 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.014 -4.905 3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.625 -5.297 2.789 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.885 -4.327 5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.164 -2.332 4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.768 -2.621 3.785 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.406 -3.058 3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.293 -4.235 5.969 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.596 -5.015 4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.735 -5.900 5.680 1.00 0.00 H new ATOM 809 N ILE A 53 -0.882 -7.367 2.702 1.00 0.00 N ATOM 810 CA ILE A 53 -0.165 -7.811 1.532 1.00 0.00 C ATOM 811 C ILE A 53 0.029 -9.308 1.582 1.00 0.00 C ATOM 812 O ILE A 53 0.031 -10.005 0.553 1.00 0.00 O ATOM 813 CB ILE A 53 1.205 -7.105 1.500 1.00 0.00 C ATOM 814 CG1 ILE A 53 0.995 -5.591 1.544 1.00 0.00 C ATOM 815 CG2 ILE A 53 2.002 -7.503 0.261 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.250 -4.810 1.797 1.00 0.00 C ATOM 0 H ILE A 53 -0.283 -6.963 3.422 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.732 -7.565 0.634 1.00 0.00 H new ATOM 0 HB ILE A 53 1.781 -7.415 2.372 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.562 -5.267 0.598 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.270 -5.357 2.324 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.963 -6.989 0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.166 -8.581 0.265 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.446 -7.224 -0.634 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.019 -3.745 1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.674 -5.104 2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.970 -5.012 1.004 1.00 0.00 H new ATOM 828 N TYR A 54 0.149 -9.797 2.771 1.00 0.00 N ATOM 829 CA TYR A 54 0.430 -11.176 2.990 1.00 0.00 C ATOM 830 C TYR A 54 -0.850 -11.978 3.171 1.00 0.00 C ATOM 831 O TYR A 54 -0.997 -13.066 2.618 1.00 0.00 O ATOM 832 CB TYR A 54 1.336 -11.316 4.206 1.00 0.00 C ATOM 833 CG TYR A 54 2.652 -10.577 4.081 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.532 -10.843 3.040 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.008 -9.612 5.004 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.727 -10.160 2.927 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.195 -8.922 4.901 1.00 0.00 C ATOM 838 CZ TYR A 54 5.054 -9.200 3.859 1.00 0.00 C ATOM 839 OH TYR A 54 6.244 -8.518 3.752 1.00 0.00 O ATOM 0 H TYR A 54 0.054 -9.247 3.624 1.00 0.00 H new ATOM 0 HA TYR A 54 0.939 -11.577 2.114 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.807 -10.949 5.085 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.539 -12.373 4.375 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.278 -11.595 2.308 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.340 -9.394 5.824 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.402 -10.377 2.112 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.451 -8.169 5.631 1.00 0.00 H new ATOM 0 HH TYR A 54 6.483 -8.423 2.806 1.00 0.00 H new ATOM 849 N TYR A 55 -1.765 -11.435 3.929 1.00 0.00 N ATOM 850 CA TYR A 55 -3.019 -12.077 4.244 1.00 0.00 C ATOM 851 C TYR A 55 -4.132 -11.032 4.193 1.00 0.00 C ATOM 852 O TYR A 55 -4.318 -10.304 5.159 1.00 0.00 O ATOM 853 CB TYR A 55 -3.009 -12.646 5.683 1.00 0.00 C ATOM 854 CG TYR A 55 -1.799 -13.458 6.060 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.660 -14.767 5.639 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.789 -12.902 6.846 1.00 0.00 C ATOM 857 CE1 TYR A 55 -0.549 -15.511 5.987 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.324 -13.636 7.195 1.00 0.00 C ATOM 859 CZ TYR A 55 0.439 -14.940 6.766 1.00 0.00 C ATOM 860 OH TYR A 55 1.560 -15.676 7.100 1.00 0.00 O ATOM 0 H TYR A 55 -1.660 -10.514 4.355 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.174 -12.882 3.526 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.097 -11.815 6.382 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.895 -13.268 5.813 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.431 -15.215 5.029 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.881 -11.881 7.186 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.453 -16.533 5.652 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.100 -13.192 7.800 1.00 0.00 H new ATOM 0 HH TYR A 55 2.158 -15.129 7.650 1.00 0.00 H new ATOM 870 N PRO A 56 -4.816 -10.868 3.057 1.00 0.00 N ATOM 871 CA PRO A 56 -5.983 -9.985 2.979 1.00 0.00 C ATOM 872 C PRO A 56 -7.036 -10.449 3.992 1.00 0.00 C ATOM 873 O PRO A 56 -7.567 -11.542 3.849 1.00 0.00 O ATOM 874 CB PRO A 56 -6.486 -10.178 1.543 1.00 0.00 C ATOM 875 CG PRO A 56 -5.289 -10.646 0.791 1.00 0.00 C ATOM 876 CD PRO A 56 -4.487 -11.472 1.760 1.00 0.00 C ATOM 0 HA PRO A 56 -5.762 -8.942 3.204 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.293 -10.909 1.500 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.876 -9.248 1.130 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.580 -11.237 -0.077 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.706 -9.802 0.422 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.767 -12.525 1.722 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.419 -11.419 1.549 1.00 0.00 H new ATOM 884 N ARG A 57 -7.326 -9.576 4.975 1.00 0.00 N ATOM 885 CA ARG A 57 -8.136 -9.843 6.206 1.00 0.00 C ATOM 886 C ARG A 57 -8.978 -11.139 6.246 1.00 0.00 C ATOM 887 O ARG A 57 -8.433 -12.234 6.328 1.00 0.00 O ATOM 888 CB ARG A 57 -8.997 -8.641 6.588 1.00 0.00 C ATOM 889 CG ARG A 57 -8.235 -7.375 6.875 1.00 0.00 C ATOM 890 CD ARG A 57 -9.151 -6.339 7.494 1.00 0.00 C ATOM 891 NE ARG A 57 -8.451 -5.098 7.793 1.00 0.00 N ATOM 892 CZ ARG A 57 -7.678 -4.896 8.875 1.00 0.00 C ATOM 893 NH1 ARG A 57 -7.443 -5.890 9.733 1.00 0.00 N ATOM 894 NH2 ARG A 57 -7.149 -3.707 9.098 1.00 0.00 N ATOM 0 H ARG A 57 -6.991 -8.613 4.942 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.360 -10.017 6.952 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.702 -8.447 5.780 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.585 -8.900 7.468 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.406 -7.587 7.550 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.804 -6.985 5.953 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.977 -6.134 6.814 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.584 -6.740 8.410 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.554 -4.326 7.134 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.851 -6.811 9.571 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.856 -5.729 10.551 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.326 -2.940 8.449 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.563 -3.555 9.919 1.00 0.00 H new ATOM 908 N ASP A 58 -10.275 -11.008 6.268 1.00 0.00 N ATOM 909 CA ASP A 58 -11.159 -12.174 6.327 1.00 0.00 C ATOM 910 C ASP A 58 -12.075 -12.209 5.127 1.00 0.00 C ATOM 911 O ASP A 58 -12.048 -13.136 4.326 1.00 0.00 O ATOM 912 CB ASP A 58 -11.957 -12.160 7.640 1.00 0.00 C ATOM 913 CG ASP A 58 -12.926 -13.317 7.786 1.00 0.00 C ATOM 914 OD1 ASP A 58 -12.485 -14.482 7.867 1.00 0.00 O ATOM 915 OD2 ASP A 58 -14.152 -13.072 7.864 1.00 0.00 O ATOM 0 H ASP A 58 -10.759 -10.110 6.246 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.554 -13.080 6.304 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.259 -12.176 8.477 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.512 -11.224 7.706 1.00 0.00 H new ATOM 920 N ASP A 59 -12.857 -11.168 4.991 1.00 0.00 N ATOM 921 CA ASP A 59 -13.793 -11.025 3.873 1.00 0.00 C ATOM 922 C ASP A 59 -13.219 -10.094 2.828 1.00 0.00 C ATOM 923 O ASP A 59 -13.895 -9.725 1.870 1.00 0.00 O ATOM 924 CB ASP A 59 -15.146 -10.470 4.346 1.00 0.00 C ATOM 925 CG ASP A 59 -15.051 -9.072 4.928 1.00 0.00 C ATOM 926 OD1 ASP A 59 -14.783 -8.942 6.143 1.00 0.00 O ATOM 927 OD2 ASP A 59 -15.226 -8.084 4.194 1.00 0.00 O ATOM 0 H ASP A 59 -12.873 -10.387 5.647 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.949 -12.015 3.445 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.840 -10.460 3.506 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.564 -11.141 5.097 1.00 0.00 H new ATOM 932 N ARG A 60 -11.968 -9.720 3.008 1.00 0.00 N ATOM 933 CA ARG A 60 -11.323 -8.815 2.089 1.00 0.00 C ATOM 934 C ARG A 60 -11.096 -9.414 0.753 1.00 0.00 C ATOM 935 O ARG A 60 -10.797 -10.608 0.611 1.00 0.00 O ATOM 936 CB ARG A 60 -10.012 -8.256 2.610 1.00 0.00 C ATOM 937 CG ARG A 60 -10.117 -6.877 3.226 1.00 0.00 C ATOM 938 CD ARG A 60 -10.455 -5.827 2.163 1.00 0.00 C ATOM 939 NE ARG A 60 -10.644 -4.504 2.763 1.00 0.00 N ATOM 940 CZ ARG A 60 -11.283 -3.469 2.196 1.00 0.00 C ATOM 941 NH1 ARG A 60 -11.711 -3.542 0.931 1.00 0.00 N ATOM 942 NH2 ARG A 60 -11.468 -2.345 2.894 1.00 0.00 N ATOM 0 H ARG A 60 -11.382 -10.031 3.783 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.030 -7.991 1.991 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.609 -8.943 3.355 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.296 -8.220 1.789 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.885 -6.877 3.999 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.176 -6.619 3.712 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.654 -5.783 1.425 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.361 -6.121 1.633 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.255 -4.356 3.694 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.553 -4.390 0.387 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.196 -2.749 0.510 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.124 -2.277 3.852 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -11.953 -1.555 2.469 1.00 0.00 H new ATOM 956 N GLU A 61 -11.233 -8.568 -0.201 1.00 0.00 N ATOM 957 CA GLU A 61 -10.988 -8.867 -1.560 1.00 0.00 C ATOM 958 C GLU A 61 -9.524 -9.161 -1.727 1.00 0.00 C ATOM 959 O GLU A 61 -8.671 -8.300 -1.473 1.00 0.00 O ATOM 960 CB GLU A 61 -11.422 -7.686 -2.416 1.00 0.00 C ATOM 961 CG GLU A 61 -11.134 -7.813 -3.875 1.00 0.00 C ATOM 962 CD GLU A 61 -11.902 -6.808 -4.685 1.00 0.00 C ATOM 963 OE1 GLU A 61 -11.545 -5.611 -4.678 1.00 0.00 O ATOM 964 OE2 GLU A 61 -12.901 -7.199 -5.320 1.00 0.00 O ATOM 0 H GLU A 61 -11.533 -7.605 -0.047 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.557 -9.741 -1.878 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.494 -7.539 -2.286 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.930 -6.788 -2.043 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.066 -7.679 -4.048 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.387 -8.819 -4.209 1.00 0.00 H new ATOM 971 N ASP A 62 -9.235 -10.375 -2.082 1.00 0.00 N ATOM 972 CA ASP A 62 -7.882 -10.812 -2.282 1.00 0.00 C ATOM 973 C ASP A 62 -7.402 -10.325 -3.629 1.00 0.00 C ATOM 974 O ASP A 62 -7.406 -11.063 -4.609 1.00 0.00 O ATOM 975 CB ASP A 62 -7.803 -12.348 -2.180 1.00 0.00 C ATOM 976 CG ASP A 62 -6.415 -12.926 -2.386 1.00 0.00 C ATOM 977 OD1 ASP A 62 -5.630 -12.977 -1.422 1.00 0.00 O ATOM 978 OD2 ASP A 62 -6.106 -13.414 -3.505 1.00 0.00 O ATOM 0 H ASP A 62 -9.935 -11.099 -2.243 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.236 -10.395 -1.509 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.167 -12.653 -1.199 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.476 -12.783 -2.919 1.00 0.00 H new ATOM 983 N SER A 63 -7.131 -9.053 -3.716 1.00 0.00 N ATOM 984 CA SER A 63 -6.642 -8.500 -4.920 1.00 0.00 C ATOM 985 C SER A 63 -5.670 -7.390 -4.548 1.00 0.00 C ATOM 986 O SER A 63 -5.759 -6.858 -3.427 1.00 0.00 O ATOM 987 CB SER A 63 -7.841 -7.951 -5.727 1.00 0.00 C ATOM 988 OG SER A 63 -8.391 -6.799 -5.132 1.00 0.00 O ATOM 0 H SER A 63 -7.246 -8.385 -2.953 1.00 0.00 H new ATOM 0 HA SER A 63 -6.127 -9.239 -5.533 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.519 -7.717 -6.742 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.609 -8.721 -5.806 1.00 0.00 H new ATOM 0 HG SER A 63 -9.145 -6.480 -5.671 1.00 0.00 H new ATOM 994 N PRO A 64 -4.713 -7.021 -5.439 1.00 0.00 N ATOM 995 CA PRO A 64 -3.809 -5.886 -5.196 1.00 0.00 C ATOM 996 C PRO A 64 -4.643 -4.603 -5.004 1.00 0.00 C ATOM 997 O PRO A 64 -4.272 -3.696 -4.271 1.00 0.00 O ATOM 998 CB PRO A 64 -2.950 -5.835 -6.502 1.00 0.00 C ATOM 999 CG PRO A 64 -3.014 -7.222 -7.020 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.402 -7.704 -6.713 1.00 0.00 C ATOM 0 HA PRO A 64 -3.191 -5.981 -4.303 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.354 -5.121 -7.219 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.924 -5.532 -6.294 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.818 -7.250 -8.092 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.265 -7.854 -6.542 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.107 -7.434 -7.499 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.440 -8.788 -6.610 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.816 -4.605 -5.615 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.748 -3.506 -5.551 1.00 0.00 C ATOM 1010 C GLU A 65 -7.418 -3.465 -4.167 1.00 0.00 C ATOM 1011 O GLU A 65 -7.568 -2.405 -3.576 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.802 -3.683 -6.634 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.226 -3.911 -8.023 1.00 0.00 C ATOM 1014 CD GLU A 65 -8.291 -4.087 -9.058 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -8.750 -5.232 -9.276 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -8.706 -3.095 -9.664 1.00 0.00 O ATOM 0 H GLU A 65 -6.148 -5.388 -6.178 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.217 -2.568 -5.709 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.439 -4.528 -6.372 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.438 -2.798 -6.656 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.594 -3.065 -8.295 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.587 -4.794 -8.008 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.785 -4.638 -3.664 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.438 -4.775 -2.372 1.00 0.00 C ATOM 1025 C GLY A 66 -7.546 -4.356 -1.231 1.00 0.00 C ATOM 1026 O GLY A 66 -8.000 -3.750 -0.253 1.00 0.00 O ATOM 0 H GLY A 66 -7.636 -5.525 -4.146 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.346 -4.172 -2.361 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.743 -5.812 -2.230 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.280 -4.675 -1.365 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.264 -4.296 -0.395 1.00 0.00 C ATOM 1032 C ILE A 67 -5.160 -2.768 -0.326 1.00 0.00 C ATOM 1033 O ILE A 67 -5.142 -2.175 0.759 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.906 -4.939 -0.780 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -4.022 -6.473 -0.674 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.763 -4.403 0.091 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.818 -7.237 -1.176 1.00 0.00 C ATOM 0 H ILE A 67 -5.917 -5.209 -2.155 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.542 -4.661 0.593 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.667 -4.671 -1.809 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.194 -6.739 0.369 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.899 -6.796 -1.234 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.827 -4.875 -0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.682 -3.324 -0.038 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.967 -4.629 1.138 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.992 -8.307 -1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.654 -7.007 -2.229 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.938 -6.949 -0.601 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.142 -2.146 -1.492 1.00 0.00 N ATOM 1050 CA VAL A 68 -5.139 -0.698 -1.603 1.00 0.00 C ATOM 1051 C VAL A 68 -6.402 -0.127 -1.024 1.00 0.00 C ATOM 1052 O VAL A 68 -6.360 0.817 -0.249 1.00 0.00 O ATOM 1053 CB VAL A 68 -5.019 -0.247 -3.075 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -5.253 1.262 -3.232 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.668 -0.589 -3.572 1.00 0.00 C ATOM 0 H VAL A 68 -5.129 -2.631 -2.389 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.275 -0.331 -1.048 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.786 -0.763 -3.653 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.159 1.537 -4.282 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.253 1.514 -2.878 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.513 1.808 -2.647 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.572 -0.275 -4.611 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.918 -0.078 -2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.517 -1.666 -3.503 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.509 -0.735 -1.383 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.819 -0.281 -1.001 1.00 0.00 C ATOM 1067 C LYS A 69 -8.973 -0.229 0.505 1.00 0.00 C ATOM 1068 O LYS A 69 -9.623 0.672 1.029 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.871 -1.167 -1.623 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.245 -0.539 -1.623 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.960 -0.805 -2.925 1.00 0.00 C ATOM 1072 CE LYS A 69 -11.239 -0.120 -4.094 1.00 0.00 C ATOM 1073 NZ LYS A 69 -11.888 -0.411 -5.384 1.00 0.00 N ATOM 0 H LYS A 69 -7.520 -1.576 -1.960 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.951 0.736 -1.372 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.583 -1.399 -2.648 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.909 -2.112 -1.081 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.831 -0.937 -0.794 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.158 0.536 -1.465 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.012 -1.879 -3.103 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.986 -0.442 -2.862 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.223 0.957 -3.930 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.201 -0.453 -4.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.372 0.069 -6.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.881 -1.437 -5.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.871 -0.071 -5.363 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.354 -1.175 1.183 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.341 -1.212 2.626 1.00 0.00 C ATOM 1089 C GLU A 70 -7.699 0.072 3.157 1.00 0.00 C ATOM 1090 O GLU A 70 -8.323 0.828 3.889 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.557 -2.434 3.099 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.577 -2.636 4.596 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.961 -2.891 5.116 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.392 -4.044 5.131 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -9.639 -1.943 5.530 1.00 0.00 O ATOM 0 H GLU A 70 -7.845 -1.942 0.743 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.361 -1.283 3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.964 -3.323 2.617 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.522 -2.339 2.769 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.933 -3.476 4.856 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.164 -1.754 5.085 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.472 0.327 2.716 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.714 1.520 3.085 1.00 0.00 C ATOM 1104 C ILE A 71 -6.454 2.795 2.686 1.00 0.00 C ATOM 1105 O ILE A 71 -6.528 3.757 3.451 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.321 1.476 2.414 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.490 0.428 3.120 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.614 2.836 2.457 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -2.225 0.088 2.432 1.00 0.00 C ATOM 0 H ILE A 71 -5.968 -0.296 2.084 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.596 1.532 4.169 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.446 1.224 1.361 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.260 0.781 4.125 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.086 -0.478 3.229 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.640 2.755 1.974 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.218 3.577 1.934 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.480 3.144 3.494 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.691 -0.670 3.005 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.445 -0.298 1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.606 0.981 2.347 1.00 0.00 H new ATOM 1121 N LYS A 72 -7.011 2.764 1.505 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.716 3.846 0.913 1.00 0.00 C ATOM 1123 C LYS A 72 -8.917 4.245 1.787 1.00 0.00 C ATOM 1124 O LYS A 72 -8.984 5.378 2.262 1.00 0.00 O ATOM 1125 CB LYS A 72 -8.109 3.364 -0.504 1.00 0.00 C ATOM 1126 CG LYS A 72 -8.803 4.315 -1.459 1.00 0.00 C ATOM 1127 CD LYS A 72 -10.170 4.668 -1.016 1.00 0.00 C ATOM 1128 CE LYS A 72 -10.928 5.241 -2.140 1.00 0.00 C ATOM 1129 NZ LYS A 72 -12.260 5.709 -1.732 1.00 0.00 N ATOM 0 H LYS A 72 -6.978 1.938 0.908 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.116 4.753 0.836 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.199 3.019 -0.994 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.756 2.495 -0.384 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.210 5.224 -1.555 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.852 3.860 -2.448 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.679 3.782 -0.637 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.122 5.384 -0.195 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.368 6.073 -2.567 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.033 4.492 -2.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.863 5.817 -2.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.688 5.016 -1.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.173 6.626 -1.249 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.814 3.303 2.031 1.00 0.00 N ATOM 1144 CA GLU A 73 -11.026 3.571 2.792 1.00 0.00 C ATOM 1145 C GLU A 73 -10.704 3.882 4.246 1.00 0.00 C ATOM 1146 O GLU A 73 -11.358 4.722 4.867 1.00 0.00 O ATOM 1147 CB GLU A 73 -12.008 2.390 2.679 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.551 2.169 1.264 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.475 3.279 0.809 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -12.999 4.339 0.387 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -14.703 3.101 0.854 1.00 0.00 O ATOM 0 H GLU A 73 -9.725 2.339 1.711 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.506 4.453 2.367 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.508 1.481 3.012 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.845 2.560 3.357 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.716 2.090 0.568 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.086 1.220 1.229 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.674 3.240 4.758 1.00 0.00 N ATOM 1159 CA TRP A 74 -9.244 3.414 6.127 1.00 0.00 C ATOM 1160 C TRP A 74 -8.708 4.818 6.360 1.00 0.00 C ATOM 1161 O TRP A 74 -9.174 5.526 7.250 1.00 0.00 O ATOM 1162 CB TRP A 74 -8.169 2.393 6.454 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.766 2.319 7.885 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -8.441 1.690 8.877 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.578 2.849 8.483 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.749 1.779 10.046 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.606 2.485 9.836 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.494 3.595 8.004 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.596 2.823 10.718 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.483 3.939 8.878 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.542 3.546 10.226 1.00 0.00 C ATOM 0 H TRP A 74 -9.108 2.577 4.229 1.00 0.00 H new ATOM 0 HA TRP A 74 -10.105 3.267 6.780 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.521 1.409 6.143 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.285 2.619 5.857 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -9.391 1.190 8.758 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -8.041 1.380 10.938 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.450 3.896 6.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.637 2.528 11.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.640 4.514 8.524 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.736 3.821 10.890 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.762 5.250 5.537 1.00 0.00 N ATOM 1183 CA ARG A 75 -7.129 6.536 5.763 1.00 0.00 C ATOM 1184 C ARG A 75 -8.093 7.668 5.506 1.00 0.00 C ATOM 1185 O ARG A 75 -8.052 8.699 6.190 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.874 6.704 4.936 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.839 5.636 5.184 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.557 5.945 4.472 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.777 6.387 3.092 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.092 7.376 2.506 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -2.137 8.009 3.174 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -3.382 7.746 1.263 1.00 0.00 N ATOM 0 H ARG A 75 -7.423 4.738 4.723 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.834 6.566 6.812 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.142 6.700 3.879 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.436 7.679 5.150 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.651 5.550 6.254 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.221 4.672 4.848 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.019 6.720 5.018 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.923 5.058 4.470 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.495 5.912 2.545 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.924 7.742 4.135 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.615 8.763 2.727 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.129 7.276 0.752 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.858 8.500 0.820 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.993 7.453 4.567 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.001 8.433 4.229 1.00 0.00 C ATOM 1208 C ALA A 76 -10.994 8.597 5.382 1.00 0.00 C ATOM 1209 O ALA A 76 -11.550 9.674 5.595 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.711 8.035 2.935 1.00 0.00 C ATOM 0 H ALA A 76 -9.045 6.595 4.019 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.518 9.397 4.066 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.468 8.781 2.691 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.985 7.977 2.125 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.188 7.064 3.066 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.162 7.533 6.156 1.00 0.00 N ATOM 1217 CA ALA A 77 -12.078 7.520 7.282 1.00 0.00 C ATOM 1218 C ALA A 77 -11.403 8.118 8.473 1.00 0.00 C ATOM 1219 O ALA A 77 -12.014 8.760 9.312 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.510 6.112 7.595 1.00 0.00 C ATOM 0 H ALA A 77 -10.664 6.654 6.018 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.962 8.104 7.027 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.196 6.122 8.442 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.011 5.684 6.727 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.636 5.510 7.843 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.117 7.889 8.533 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.283 8.358 9.601 1.00 0.00 C ATOM 1228 C ASN A 78 -9.011 9.850 9.504 1.00 0.00 C ATOM 1229 O ASN A 78 -8.529 10.454 10.462 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.950 7.608 9.623 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.963 6.226 10.279 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -6.959 5.817 10.860 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -9.032 5.499 10.171 1.00 0.00 N ATOM 0 H ASN A 78 -9.612 7.359 7.823 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.828 8.167 10.525 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.603 7.496 8.596 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.217 8.226 10.142 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -9.054 4.562 10.574 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.850 5.864 9.684 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.311 10.435 8.353 1.00 0.00 N ATOM 1241 CA GLY A 79 -9.044 11.843 8.148 1.00 0.00 C ATOM 1242 C GLY A 79 -7.572 12.070 7.918 1.00 0.00 C ATOM 1243 O GLY A 79 -7.012 13.103 8.305 1.00 0.00 O ATOM 0 H GLY A 79 -9.735 9.959 7.557 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.613 12.207 7.292 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.375 12.413 9.016 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.951 11.092 7.300 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.540 11.076 7.040 1.00 0.00 C ATOM 1249 C LYS A 80 -5.204 11.641 5.676 1.00 0.00 C ATOM 1250 O LYS A 80 -6.092 12.124 4.950 1.00 0.00 O ATOM 1251 CB LYS A 80 -5.040 9.647 7.158 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.829 9.197 8.586 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.493 7.728 8.657 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.979 7.331 10.037 1.00 0.00 C ATOM 1255 NZ LYS A 80 -4.904 7.646 11.146 1.00 0.00 N ATOM 0 H LYS A 80 -7.434 10.262 6.956 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.046 11.713 7.774 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.755 8.980 6.677 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.100 9.553 6.613 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.024 9.778 9.037 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.729 9.394 9.168 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.379 7.140 8.416 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.739 7.491 7.906 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.776 6.260 10.042 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.030 7.836 10.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.423 7.488 12.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.200 8.641 11.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.741 7.031 11.085 1.00 0.00 H new ATOM 1269 N SER A 81 -3.937 11.598 5.340 1.00 0.00 N ATOM 1270 CA SER A 81 -3.439 12.021 4.081 1.00 0.00 C ATOM 1271 C SER A 81 -4.057 11.161 2.963 1.00 0.00 C ATOM 1272 O SER A 81 -4.508 10.039 3.215 1.00 0.00 O ATOM 1273 CB SER A 81 -1.941 11.855 4.138 1.00 0.00 C ATOM 1274 OG SER A 81 -1.417 12.534 5.276 1.00 0.00 O ATOM 0 H SER A 81 -3.210 11.253 5.967 1.00 0.00 H new ATOM 0 HA SER A 81 -3.697 13.058 3.867 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.686 10.796 4.187 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.488 12.250 3.229 1.00 0.00 H new ATOM 0 HG SER A 81 -0.444 12.419 5.306 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.086 11.676 1.764 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.710 10.960 0.680 1.00 0.00 C ATOM 1282 C GLY A 82 -3.698 10.509 -0.326 1.00 0.00 C ATOM 1283 O GLY A 82 -2.530 10.287 0.024 1.00 0.00 O ATOM 0 H GLY A 82 -3.689 12.581 1.512 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.246 10.096 1.073 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.448 11.600 0.196 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.134 10.297 -1.533 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.258 9.997 -2.609 1.00 0.00 C ATOM 1289 C PHE A 83 -3.160 11.235 -3.477 1.00 0.00 C ATOM 1290 O PHE A 83 -3.808 12.254 -3.182 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.806 8.820 -3.432 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.936 7.531 -2.668 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.809 6.864 -2.247 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -5.183 6.987 -2.368 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.907 5.687 -1.548 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -5.279 5.800 -1.665 1.00 0.00 C ATOM 1297 CZ PHE A 83 -4.137 5.151 -1.255 1.00 0.00 C ATOM 0 H PHE A 83 -5.120 10.330 -1.793 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.276 9.713 -2.231 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.784 9.094 -3.827 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.151 8.656 -4.288 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.834 7.272 -2.469 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.081 7.496 -2.687 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.010 5.179 -1.226 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -6.249 5.383 -1.438 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.208 4.224 -0.705 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.362 11.181 -4.492 1.00 0.00 N ATOM 1308 CA LYS A 84 -2.291 12.246 -5.456 1.00 0.00 C ATOM 1309 C LYS A 84 -3.522 12.103 -6.327 1.00 0.00 C ATOM 1310 O LYS A 84 -3.875 10.990 -6.723 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.008 12.099 -6.261 1.00 0.00 C ATOM 1312 CG LYS A 84 -0.685 13.202 -7.258 1.00 0.00 C ATOM 1313 CD LYS A 84 0.664 12.937 -7.947 1.00 0.00 C ATOM 1314 CE LYS A 84 0.623 11.642 -8.751 1.00 0.00 C ATOM 1315 NZ LYS A 84 1.916 11.257 -9.343 1.00 0.00 N ATOM 0 H LYS A 84 -1.737 10.398 -4.683 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.271 13.234 -4.996 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.176 12.022 -5.561 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.056 11.155 -6.804 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.475 13.265 -8.007 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.654 14.164 -6.746 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.910 13.770 -8.605 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.454 12.879 -7.198 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.279 10.836 -8.103 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.112 11.746 -9.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.821 10.335 -9.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.206 11.974 -10.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.635 11.190 -8.594 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.167 13.184 -6.611 1.00 0.00 N ATOM 1330 CA GLN A 85 -5.461 13.138 -7.295 1.00 0.00 C ATOM 1331 C GLN A 85 -5.347 13.298 -8.806 1.00 0.00 C ATOM 1332 O GLN A 85 -6.312 13.645 -9.483 1.00 0.00 O ATOM 1333 CB GLN A 85 -6.512 14.113 -6.683 1.00 0.00 C ATOM 1334 CG GLN A 85 -6.106 15.594 -6.575 1.00 0.00 C ATOM 1335 CD GLN A 85 -5.097 15.896 -5.468 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -5.148 15.159 -4.383 1.00 0.00 O flip ATOM 1337 NE2 GLN A 85 -4.292 16.809 -5.588 1.00 0.00 N flip ATOM 0 H GLN A 85 -3.837 14.123 -6.389 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.837 12.130 -7.120 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.420 14.053 -7.282 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.765 13.757 -5.684 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.686 15.913 -7.529 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -7.002 16.192 -6.406 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -4.275 17.365 -6.443 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -3.637 17.014 -4.833 1.00 0.00 H new ATOM 1346 N GLY A 86 -4.201 12.997 -9.318 1.00 0.00 N ATOM 1347 CA GLY A 86 -3.982 13.050 -10.722 1.00 0.00 C ATOM 1348 C GLY A 86 -2.771 13.854 -11.019 1.00 0.00 C ATOM 1349 O GLY A 86 -2.695 14.458 -12.103 1.00 0.00 O ATOM 1350 OXT GLY A 86 -1.877 13.924 -10.148 1.00 0.00 O ATOM 0 H GLY A 86 -3.389 12.707 -8.773 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.864 12.041 -11.118 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.849 13.488 -11.217 1.00 0.00 H new