USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 606 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 Single : A 5 THR OG1 : rot 31:sc= 0.461 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 73:sc= 1.18 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -157:sc= -0.0275 (180deg=-0.275) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.204 K(o=-0.2,f=-2.2) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.239 X(o=-0.24,f=0.043) USER MOD Single : A 38 TYR OH : rot 69:sc= -0.997 USER MOD Single : A 41 HIS : no HD1:sc= -0.458 X(o=-0.46,f=-0.52) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 180:sc= -0.0773 USER MOD Single : A 62 GLN : amide:sc= -0.0265 K(o=-0.027,f=-1.2) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N THR A 5 9.677 -7.021 -5.623 1.00 1.41 N ATOM 60 CA THR A 5 8.290 -6.574 -5.581 1.00 35.10 C ATOM 61 C THR A 5 7.828 -6.367 -4.142 1.00 23.30 C ATOM 62 O THR A 5 7.033 -5.472 -3.858 1.00 51.30 O ATOM 63 CB THR A 5 7.384 -7.590 -6.278 1.00 12.20 C ATOM 64 OG1 THR A 5 8.014 -8.115 -7.432 1.00 31.20 O ATOM 65 CG2 THR A 5 6.053 -7.010 -6.706 1.00 34.30 C ATOM 0 HA THR A 5 8.226 -5.620 -6.105 1.00 35.10 H new ATOM 0 HB THR A 5 7.202 -8.370 -5.538 1.00 12.20 H new ATOM 0 HG1 THR A 5 8.985 -8.126 -7.298 1.00 31.20 H new ATOM 0 HG21 THR A 5 5.459 -7.783 -7.194 1.00 34.30 H new ATOM 0 HG22 THR A 5 5.519 -6.640 -5.831 1.00 34.30 H new ATOM 0 HG23 THR A 5 6.221 -6.188 -7.402 1.00 34.30 H new ATOM 73 N LEU A 6 8.334 -7.200 -3.238 1.00 14.10 N ATOM 74 CA LEU A 6 7.973 -7.108 -1.828 1.00 70.30 C ATOM 75 C LEU A 6 8.633 -5.897 -1.175 1.00 64.20 C ATOM 76 O LEU A 6 8.000 -5.171 -0.408 1.00 35.30 O ATOM 77 CB LEU A 6 8.382 -8.386 -1.091 1.00 13.40 C ATOM 78 CG LEU A 6 7.317 -9.484 -1.060 1.00 32.20 C ATOM 79 CD1 LEU A 6 6.114 -9.036 -0.245 1.00 0.50 C ATOM 80 CD2 LEU A 6 6.899 -9.860 -2.473 1.00 42.00 C ATOM 0 H LEU A 6 8.995 -7.946 -3.457 1.00 14.10 H new ATOM 0 HA LEU A 6 6.892 -6.989 -1.762 1.00 70.30 H new ATOM 0 HB2 LEU A 6 9.281 -8.786 -1.560 1.00 13.40 H new ATOM 0 HB3 LEU A 6 8.646 -8.127 -0.065 1.00 13.40 H new ATOM 0 HG LEU A 6 7.744 -10.366 -0.583 1.00 32.20 H new ATOM 0 HD11 LEU A 6 5.366 -9.829 -0.234 1.00 0.50 H new ATOM 0 HD12 LEU A 6 6.427 -8.818 0.776 1.00 0.50 H new ATOM 0 HD13 LEU A 6 5.685 -8.139 -0.692 1.00 0.50 H new ATOM 0 HD21 LEU A 6 6.141 -10.642 -2.432 1.00 42.00 H new ATOM 0 HD22 LEU A 6 6.490 -8.984 -2.977 1.00 42.00 H new ATOM 0 HD23 LEU A 6 7.766 -10.223 -3.024 1.00 42.00 H new ATOM 92 N GLN A 7 9.908 -5.686 -1.485 1.00 71.30 N ATOM 93 CA GLN A 7 10.654 -4.563 -0.927 1.00 64.50 C ATOM 94 C GLN A 7 10.134 -3.238 -1.475 1.00 25.10 C ATOM 95 O GLN A 7 10.177 -2.214 -0.794 1.00 31.40 O ATOM 96 CB GLN A 7 12.144 -4.709 -1.241 1.00 31.00 C ATOM 97 CG GLN A 7 13.043 -3.944 -0.283 1.00 73.20 C ATOM 98 CD GLN A 7 13.677 -4.840 0.763 1.00 70.40 C ATOM 99 OE1 GLN A 7 14.668 -5.521 0.495 1.00 40.50 O ATOM 100 NE2 GLN A 7 13.107 -4.846 1.962 1.00 34.10 N ATOM 0 H GLN A 7 10.446 -6.277 -2.119 1.00 71.30 H new ATOM 0 HA GLN A 7 10.515 -4.567 0.154 1.00 64.50 H new ATOM 0 HB2 GLN A 7 12.411 -5.765 -1.213 1.00 31.00 H new ATOM 0 HB3 GLN A 7 12.329 -4.361 -2.257 1.00 31.00 H new ATOM 0 HG2 GLN A 7 13.827 -3.442 -0.849 1.00 73.20 H new ATOM 0 HG3 GLN A 7 12.461 -3.167 0.214 1.00 73.20 H new ATOM 0 HE21 GLN A 7 12.287 -4.266 2.140 1.00 34.10 H new ATOM 0 HE22 GLN A 7 13.489 -5.431 2.705 1.00 34.10 H new ATOM 109 N LYS A 8 9.643 -3.265 -2.711 1.00 43.20 N ATOM 110 CA LYS A 8 9.117 -2.066 -3.350 1.00 62.40 C ATOM 111 C LYS A 8 7.797 -1.643 -2.710 1.00 12.40 C ATOM 112 O LYS A 8 7.502 -0.452 -2.603 1.00 23.50 O ATOM 113 CB LYS A 8 8.916 -2.307 -4.847 1.00 51.50 C ATOM 114 CG LYS A 8 10.123 -1.927 -5.692 1.00 23.30 C ATOM 115 CD LYS A 8 9.799 -0.793 -6.653 1.00 24.20 C ATOM 116 CE LYS A 8 9.517 -1.314 -8.053 1.00 51.10 C ATOM 117 NZ LYS A 8 10.698 -1.168 -8.949 1.00 45.30 N ATOM 0 H LYS A 8 9.599 -4.105 -3.289 1.00 43.20 H new ATOM 0 HA LYS A 8 9.841 -1.263 -3.212 1.00 62.40 H new ATOM 0 HB2 LYS A 8 8.686 -3.360 -5.009 1.00 51.50 H new ATOM 0 HB3 LYS A 8 8.051 -1.736 -5.186 1.00 51.50 H new ATOM 0 HG2 LYS A 8 10.945 -1.629 -5.041 1.00 23.30 H new ATOM 0 HG3 LYS A 8 10.462 -2.796 -6.255 1.00 23.30 H new ATOM 0 HD2 LYS A 8 8.933 -0.241 -6.288 1.00 24.20 H new ATOM 0 HD3 LYS A 8 10.633 -0.092 -6.685 1.00 24.20 H new ATOM 0 HE2 LYS A 8 9.230 -2.364 -7.999 1.00 51.10 H new ATOM 0 HE3 LYS A 8 8.670 -0.774 -8.477 1.00 51.10 H new ATOM 0 HZ1 LYS A 8 10.464 -1.535 -9.894 1.00 45.30 H new ATOM 0 HZ2 LYS A 8 10.956 -0.163 -9.022 1.00 45.30 H new ATOM 0 HZ3 LYS A 8 11.499 -1.704 -8.558 1.00 45.30 H new ATOM 131 N ALA A 9 7.009 -2.625 -2.288 1.00 21.30 N ATOM 132 CA ALA A 9 5.720 -2.354 -1.660 1.00 61.10 C ATOM 133 C ALA A 9 5.901 -1.756 -0.269 1.00 33.50 C ATOM 134 O ALA A 9 5.128 -0.896 0.152 1.00 3.13 O ATOM 135 CB ALA A 9 4.894 -3.629 -1.585 1.00 3.35 C ATOM 0 H ALA A 9 7.239 -3.615 -2.369 1.00 21.30 H new ATOM 0 HA ALA A 9 5.190 -1.625 -2.273 1.00 61.10 H new ATOM 0 HB1 ALA A 9 3.935 -3.414 -1.115 1.00 3.35 H new ATOM 0 HB2 ALA A 9 4.727 -4.014 -2.591 1.00 3.35 H new ATOM 0 HB3 ALA A 9 5.428 -4.374 -0.996 1.00 3.35 H new ATOM 141 N ILE A 10 6.925 -2.218 0.441 1.00 21.40 N ATOM 142 CA ILE A 10 7.206 -1.729 1.785 1.00 73.30 C ATOM 143 C ILE A 10 7.664 -0.273 1.756 1.00 60.20 C ATOM 144 O ILE A 10 7.433 0.479 2.702 1.00 23.40 O ATOM 145 CB ILE A 10 8.285 -2.582 2.481 1.00 73.00 C ATOM 146 CG1 ILE A 10 7.921 -4.067 2.406 1.00 24.40 C ATOM 147 CG2 ILE A 10 8.454 -2.147 3.930 1.00 35.30 C ATOM 148 CD1 ILE A 10 9.125 -4.982 2.346 1.00 44.20 C ATOM 0 H ILE A 10 7.574 -2.931 0.107 1.00 21.40 H new ATOM 0 HA ILE A 10 6.276 -1.804 2.349 1.00 73.30 H new ATOM 0 HB ILE A 10 9.233 -2.432 1.964 1.00 73.00 H new ATOM 0 HG12 ILE A 10 7.318 -4.329 3.275 1.00 24.40 H new ATOM 0 HG13 ILE A 10 7.301 -4.237 1.526 1.00 24.40 H new ATOM 0 HG21 ILE A 10 9.219 -2.759 4.407 1.00 35.30 H new ATOM 0 HG22 ILE A 10 8.755 -1.100 3.963 1.00 35.30 H new ATOM 0 HG23 ILE A 10 7.509 -2.270 4.459 1.00 35.30 H new ATOM 0 HD11 ILE A 10 8.792 -6.019 2.294 1.00 44.20 H new ATOM 0 HD12 ILE A 10 9.717 -4.747 1.462 1.00 44.20 H new ATOM 0 HD13 ILE A 10 9.734 -4.841 3.239 1.00 44.20 H new ATOM 160 N ASP A 11 8.316 0.115 0.666 1.00 21.40 N ATOM 161 CA ASP A 11 8.807 1.481 0.516 1.00 11.30 C ATOM 162 C ASP A 11 7.658 2.449 0.256 1.00 14.30 C ATOM 163 O ASP A 11 7.720 3.619 0.636 1.00 73.30 O ATOM 164 CB ASP A 11 9.822 1.557 -0.627 1.00 1.23 C ATOM 165 CG ASP A 11 11.247 1.360 -0.149 1.00 53.00 C ATOM 166 OD1 ASP A 11 11.581 0.233 0.273 1.00 25.50 O ATOM 167 OD2 ASP A 11 12.029 2.334 -0.196 1.00 51.40 O ATOM 0 H ASP A 11 8.517 -0.495 -0.126 1.00 21.40 H new ATOM 0 HA ASP A 11 9.295 1.769 1.447 1.00 11.30 H new ATOM 0 HB2 ASP A 11 9.583 0.798 -1.372 1.00 1.23 H new ATOM 0 HB3 ASP A 11 9.738 2.525 -1.120 1.00 1.23 H new ATOM 172 N LEU A 12 6.610 1.957 -0.396 1.00 42.10 N ATOM 173 CA LEU A 12 5.447 2.780 -0.708 1.00 43.20 C ATOM 174 C LEU A 12 4.629 3.067 0.548 1.00 4.11 C ATOM 175 O LEU A 12 4.012 4.126 0.669 1.00 3.40 O ATOM 176 CB LEU A 12 4.572 2.086 -1.754 1.00 25.10 C ATOM 177 CG LEU A 12 4.879 2.460 -3.206 1.00 73.40 C ATOM 178 CD1 LEU A 12 4.585 3.931 -3.451 1.00 11.20 C ATOM 179 CD2 LEU A 12 6.328 2.140 -3.543 1.00 4.33 C ATOM 0 H LEU A 12 6.542 0.992 -0.719 1.00 42.10 H new ATOM 0 HA LEU A 12 5.802 3.728 -1.112 1.00 43.20 H new ATOM 0 HB2 LEU A 12 4.683 1.008 -1.641 1.00 25.10 H new ATOM 0 HB3 LEU A 12 3.528 2.322 -1.547 1.00 25.10 H new ATOM 0 HG LEU A 12 4.236 1.869 -3.858 1.00 73.40 H new ATOM 0 HD11 LEU A 12 4.809 4.179 -4.488 1.00 11.20 H new ATOM 0 HD12 LEU A 12 3.532 4.130 -3.250 1.00 11.20 H new ATOM 0 HD13 LEU A 12 5.202 4.540 -2.791 1.00 11.20 H new ATOM 0 HD21 LEU A 12 6.529 2.412 -4.579 1.00 4.33 H new ATOM 0 HD22 LEU A 12 6.988 2.705 -2.885 1.00 4.33 H new ATOM 0 HD23 LEU A 12 6.506 1.073 -3.407 1.00 4.33 H new ATOM 191 N VAL A 13 4.626 2.117 1.477 1.00 32.50 N ATOM 192 CA VAL A 13 3.883 2.269 2.722 1.00 1.50 C ATOM 193 C VAL A 13 4.612 3.196 3.690 1.00 41.20 C ATOM 194 O VAL A 13 3.986 3.883 4.497 1.00 2.35 O ATOM 195 CB VAL A 13 3.651 0.909 3.406 1.00 21.20 C ATOM 196 CG1 VAL A 13 2.727 1.063 4.606 1.00 60.30 C ATOM 197 CG2 VAL A 13 3.085 -0.098 2.416 1.00 23.20 C ATOM 0 H VAL A 13 5.130 1.234 1.391 1.00 32.50 H new ATOM 0 HA VAL A 13 2.919 2.707 2.463 1.00 1.50 H new ATOM 0 HB VAL A 13 4.611 0.535 3.761 1.00 21.20 H new ATOM 0 HG11 VAL A 13 2.575 0.091 5.076 1.00 60.30 H new ATOM 0 HG12 VAL A 13 3.176 1.748 5.326 1.00 60.30 H new ATOM 0 HG13 VAL A 13 1.767 1.461 4.277 1.00 60.30 H new ATOM 0 HG21 VAL A 13 2.928 -1.053 2.918 1.00 23.20 H new ATOM 0 HG22 VAL A 13 2.135 0.268 2.027 1.00 23.20 H new ATOM 0 HG23 VAL A 13 3.786 -0.232 1.592 1.00 23.20 H new ATOM 207 N THR A 14 5.939 3.207 3.607 1.00 32.20 N ATOM 208 CA THR A 14 6.752 4.049 4.477 1.00 31.30 C ATOM 209 C THR A 14 6.604 5.522 4.106 1.00 25.40 C ATOM 210 O THR A 14 6.501 6.384 4.978 1.00 41.10 O ATOM 211 CB THR A 14 8.221 3.635 4.392 1.00 33.10 C ATOM 212 OG1 THR A 14 8.357 2.233 4.533 1.00 34.00 O ATOM 213 CG2 THR A 14 9.089 4.289 5.446 1.00 54.30 C ATOM 0 H THR A 14 6.473 2.643 2.947 1.00 32.20 H new ATOM 0 HA THR A 14 6.402 3.915 5.500 1.00 31.30 H new ATOM 0 HB THR A 14 8.557 3.967 3.410 1.00 33.10 H new ATOM 0 HG1 THR A 14 8.040 1.790 3.718 1.00 34.00 H new ATOM 0 HG21 THR A 14 10.119 3.952 5.329 1.00 54.30 H new ATOM 0 HG22 THR A 14 9.046 5.372 5.332 1.00 54.30 H new ATOM 0 HG23 THR A 14 8.727 4.014 6.437 1.00 54.30 H new ATOM 221 N LYS A 15 6.596 5.802 2.807 1.00 24.30 N ATOM 222 CA LYS A 15 6.463 7.171 2.322 1.00 52.20 C ATOM 223 C LYS A 15 5.036 7.682 2.509 1.00 42.40 C ATOM 224 O LYS A 15 4.813 8.881 2.668 1.00 42.20 O ATOM 225 CB LYS A 15 6.857 7.251 0.846 1.00 62.00 C ATOM 226 CG LYS A 15 8.315 7.619 0.625 1.00 51.10 C ATOM 227 CD LYS A 15 8.839 7.062 -0.688 1.00 34.10 C ATOM 228 CE LYS A 15 8.877 8.128 -1.771 1.00 4.33 C ATOM 229 NZ LYS A 15 9.464 7.614 -3.038 1.00 54.30 N ATOM 0 H LYS A 15 6.680 5.100 2.072 1.00 24.30 H new ATOM 0 HA LYS A 15 7.133 7.802 2.905 1.00 52.20 H new ATOM 0 HB2 LYS A 15 6.658 6.290 0.373 1.00 62.00 H new ATOM 0 HB3 LYS A 15 6.226 7.988 0.349 1.00 62.00 H new ATOM 0 HG2 LYS A 15 8.422 8.704 0.629 1.00 51.10 H new ATOM 0 HG3 LYS A 15 8.917 7.236 1.449 1.00 51.10 H new ATOM 0 HD2 LYS A 15 9.840 6.658 -0.539 1.00 34.10 H new ATOM 0 HD3 LYS A 15 8.206 6.235 -1.012 1.00 34.10 H new ATOM 0 HE2 LYS A 15 7.866 8.489 -1.960 1.00 4.33 H new ATOM 0 HE3 LYS A 15 9.460 8.980 -1.421 1.00 4.33 H new ATOM 0 HZ1 LYS A 15 9.471 8.372 -3.750 1.00 54.30 H new ATOM 0 HZ2 LYS A 15 10.438 7.293 -2.864 1.00 54.30 H new ATOM 0 HZ3 LYS A 15 8.894 6.817 -3.387 1.00 54.30 H new ATOM 243 N ALA A 16 4.074 6.764 2.487 1.00 41.40 N ATOM 244 CA ALA A 16 2.671 7.123 2.652 1.00 13.40 C ATOM 245 C ALA A 16 2.371 7.527 4.092 1.00 72.20 C ATOM 246 O ALA A 16 1.758 8.565 4.341 1.00 43.20 O ATOM 247 CB ALA A 16 1.777 5.967 2.228 1.00 43.10 C ATOM 0 H ALA A 16 4.241 5.766 2.356 1.00 41.40 H new ATOM 0 HA ALA A 16 2.464 7.981 2.013 1.00 13.40 H new ATOM 0 HB1 ALA A 16 0.732 6.249 2.357 1.00 43.10 H new ATOM 0 HB2 ALA A 16 1.962 5.729 1.181 1.00 43.10 H new ATOM 0 HB3 ALA A 16 1.995 5.094 2.843 1.00 43.10 H new ATOM 253 N THR A 17 2.807 6.700 5.037 1.00 55.40 N ATOM 254 CA THR A 17 2.583 6.970 6.453 1.00 35.20 C ATOM 255 C THR A 17 3.196 8.307 6.859 1.00 13.10 C ATOM 256 O THR A 17 2.558 9.113 7.536 1.00 12.40 O ATOM 257 CB THR A 17 3.168 5.845 7.307 1.00 41.30 C ATOM 258 OG1 THR A 17 3.021 6.135 8.686 1.00 53.50 O ATOM 259 CG2 THR A 17 4.637 5.595 7.045 1.00 1.44 C ATOM 0 H THR A 17 3.317 5.837 4.848 1.00 55.40 H new ATOM 0 HA THR A 17 1.507 7.021 6.620 1.00 35.20 H new ATOM 0 HB THR A 17 2.610 4.951 7.029 1.00 41.30 H new ATOM 0 HG1 THR A 17 3.400 5.403 9.216 1.00 53.50 H new ATOM 0 HG21 THR A 17 4.988 4.785 7.684 1.00 1.44 H new ATOM 0 HG22 THR A 17 4.779 5.320 6.000 1.00 1.44 H new ATOM 0 HG23 THR A 17 5.204 6.500 7.262 1.00 1.44 H new ATOM 267 N GLU A 18 4.437 8.534 6.443 1.00 44.40 N ATOM 268 CA GLU A 18 5.135 9.774 6.766 1.00 30.30 C ATOM 269 C GLU A 18 4.429 10.975 6.147 1.00 62.30 C ATOM 270 O GLU A 18 4.393 12.058 6.734 1.00 1.54 O ATOM 271 CB GLU A 18 6.583 9.711 6.272 1.00 31.40 C ATOM 272 CG GLU A 18 6.705 9.590 4.762 1.00 52.10 C ATOM 273 CD GLU A 18 8.146 9.597 4.291 1.00 20.00 C ATOM 274 OE1 GLU A 18 8.962 8.849 4.870 1.00 42.40 O ATOM 275 OE2 GLU A 18 8.457 10.350 3.345 1.00 21.40 O ATOM 0 H GLU A 18 4.980 7.877 5.882 1.00 44.40 H new ATOM 0 HA GLU A 18 5.130 9.892 7.850 1.00 30.30 H new ATOM 0 HB2 GLU A 18 7.110 10.607 6.600 1.00 31.40 H new ATOM 0 HB3 GLU A 18 7.081 8.860 6.738 1.00 31.40 H new ATOM 0 HG2 GLU A 18 6.224 8.668 4.435 1.00 52.10 H new ATOM 0 HG3 GLU A 18 6.169 10.414 4.291 1.00 52.10 H new ATOM 282 N GLU A 19 3.865 10.779 4.959 1.00 70.40 N ATOM 283 CA GLU A 19 3.160 11.847 4.261 1.00 3.14 C ATOM 284 C GLU A 19 1.913 12.270 5.032 1.00 74.20 C ATOM 285 O GLU A 19 1.645 13.461 5.193 1.00 54.00 O ATOM 286 CB GLU A 19 2.778 11.397 2.849 1.00 72.10 C ATOM 287 CG GLU A 19 3.708 11.926 1.770 1.00 51.50 C ATOM 288 CD GLU A 19 4.092 10.864 0.758 1.00 22.40 C ATOM 289 OE1 GLU A 19 3.183 10.188 0.234 1.00 24.10 O ATOM 290 OE2 GLU A 19 5.302 10.709 0.490 1.00 51.30 O ATOM 0 H GLU A 19 3.883 9.890 4.460 1.00 70.40 H new ATOM 0 HA GLU A 19 3.828 12.705 4.191 1.00 3.14 H new ATOM 0 HB2 GLU A 19 2.775 10.308 2.812 1.00 72.10 H new ATOM 0 HB3 GLU A 19 1.761 11.726 2.634 1.00 72.10 H new ATOM 0 HG2 GLU A 19 3.225 12.756 1.254 1.00 51.50 H new ATOM 0 HG3 GLU A 19 4.610 12.322 2.236 1.00 51.50 H new ATOM 297 N ASP A 20 1.154 11.287 5.505 1.00 22.20 N ATOM 298 CA ASP A 20 -0.067 11.558 6.259 1.00 54.50 C ATOM 299 C ASP A 20 0.210 12.486 7.439 1.00 11.20 C ATOM 300 O ASP A 20 -0.655 13.260 7.850 1.00 1.23 O ATOM 301 CB ASP A 20 -0.683 10.249 6.758 1.00 3.34 C ATOM 302 CG ASP A 20 -2.194 10.239 6.637 1.00 12.10 C ATOM 303 OD1 ASP A 20 -2.717 10.832 5.671 1.00 54.10 O ATOM 304 OD2 ASP A 20 -2.855 9.637 7.510 1.00 63.00 O ATOM 0 H ASP A 20 1.362 10.296 5.380 1.00 22.20 H new ATOM 0 HA ASP A 20 -0.772 12.054 5.591 1.00 54.50 H new ATOM 0 HB2 ASP A 20 -0.270 9.416 6.189 1.00 3.34 H new ATOM 0 HB3 ASP A 20 -0.404 10.093 7.800 1.00 3.34 H new ATOM 309 N LYS A 21 1.423 12.405 7.976 1.00 43.10 N ATOM 310 CA LYS A 21 1.815 13.238 9.108 1.00 43.30 C ATOM 311 C LYS A 21 2.079 14.675 8.662 1.00 63.40 C ATOM 312 O LYS A 21 1.933 15.613 9.445 1.00 12.10 O ATOM 313 CB LYS A 21 3.062 12.663 9.783 1.00 22.20 C ATOM 314 CG LYS A 21 2.754 11.836 11.022 1.00 2.22 C ATOM 315 CD LYS A 21 3.189 10.386 10.855 1.00 60.40 C ATOM 316 CE LYS A 21 4.008 9.910 12.044 1.00 73.20 C ATOM 317 NZ LYS A 21 5.296 10.648 12.162 1.00 64.00 N ATOM 0 H LYS A 21 2.151 11.772 7.646 1.00 43.10 H new ATOM 0 HA LYS A 21 0.993 13.245 9.824 1.00 43.30 H new ATOM 0 HB2 LYS A 21 3.600 12.043 9.066 1.00 22.20 H new ATOM 0 HB3 LYS A 21 3.727 13.482 10.058 1.00 22.20 H new ATOM 0 HG2 LYS A 21 3.260 12.270 11.884 1.00 2.22 H new ATOM 0 HG3 LYS A 21 1.684 11.873 11.228 1.00 2.22 H new ATOM 0 HD2 LYS A 21 2.310 9.752 10.740 1.00 60.40 H new ATOM 0 HD3 LYS A 21 3.777 10.284 9.943 1.00 60.40 H new ATOM 0 HE2 LYS A 21 3.430 10.040 12.959 1.00 73.20 H new ATOM 0 HE3 LYS A 21 4.209 8.843 11.943 1.00 73.20 H new ATOM 0 HZ1 LYS A 21 5.977 10.074 12.699 1.00 64.00 H new ATOM 0 HZ2 LYS A 21 5.676 10.837 11.213 1.00 64.00 H new ATOM 0 HZ3 LYS A 21 5.136 11.549 12.657 1.00 64.00 H new ATOM 331 N ALA A 22 2.471 14.838 7.402 1.00 61.20 N ATOM 332 CA ALA A 22 2.757 16.159 6.857 1.00 61.50 C ATOM 333 C ALA A 22 1.556 16.721 6.102 1.00 53.20 C ATOM 334 O ALA A 22 1.709 17.541 5.197 1.00 15.10 O ATOM 335 CB ALA A 22 3.974 16.101 5.946 1.00 62.10 C ATOM 0 H ALA A 22 2.597 14.072 6.741 1.00 61.20 H new ATOM 0 HA ALA A 22 2.970 16.827 7.691 1.00 61.50 H new ATOM 0 HB1 ALA A 22 4.177 17.094 5.546 1.00 62.10 H new ATOM 0 HB2 ALA A 22 4.838 15.756 6.514 1.00 62.10 H new ATOM 0 HB3 ALA A 22 3.781 15.411 5.124 1.00 62.10 H new ATOM 341 N LYS A 23 0.361 16.276 6.480 1.00 21.40 N ATOM 342 CA LYS A 23 -0.865 16.738 5.836 1.00 24.40 C ATOM 343 C LYS A 23 -0.827 16.474 4.333 1.00 4.34 C ATOM 344 O LYS A 23 -1.162 17.346 3.531 1.00 34.40 O ATOM 345 CB LYS A 23 -1.070 18.230 6.102 1.00 24.30 C ATOM 346 CG LYS A 23 -2.532 18.631 6.223 1.00 43.30 C ATOM 347 CD LYS A 23 -2.729 19.702 7.285 1.00 64.10 C ATOM 348 CE LYS A 23 -4.162 20.208 7.305 1.00 4.22 C ATOM 349 NZ LYS A 23 -4.269 21.547 7.946 1.00 25.20 N ATOM 0 H LYS A 23 0.215 15.597 7.227 1.00 21.40 H new ATOM 0 HA LYS A 23 -1.701 16.181 6.259 1.00 24.40 H new ATOM 0 HB2 LYS A 23 -0.550 18.502 7.021 1.00 24.30 H new ATOM 0 HB3 LYS A 23 -0.611 18.801 5.295 1.00 24.30 H new ATOM 0 HG2 LYS A 23 -2.890 19.000 5.262 1.00 43.30 H new ATOM 0 HG3 LYS A 23 -3.131 17.755 6.472 1.00 43.30 H new ATOM 0 HD2 LYS A 23 -2.471 19.297 8.264 1.00 64.10 H new ATOM 0 HD3 LYS A 23 -2.051 20.534 7.095 1.00 64.10 H new ATOM 0 HE2 LYS A 23 -4.542 20.263 6.285 1.00 4.22 H new ATOM 0 HE3 LYS A 23 -4.790 19.497 7.842 1.00 4.22 H new ATOM 0 HZ1 LYS A 23 -5.262 21.857 7.940 1.00 25.20 H new ATOM 0 HZ2 LYS A 23 -3.930 21.490 8.928 1.00 25.20 H new ATOM 0 HZ3 LYS A 23 -3.690 22.231 7.419 1.00 25.20 H new ATOM 363 N ASN A 24 -0.419 15.266 3.959 1.00 32.40 N ATOM 364 CA ASN A 24 -0.337 14.886 2.554 1.00 45.20 C ATOM 365 C ASN A 24 -1.346 13.790 2.226 1.00 32.50 C ATOM 366 O ASN A 24 -1.015 12.803 1.569 1.00 54.20 O ATOM 367 CB ASN A 24 1.078 14.417 2.211 1.00 31.20 C ATOM 368 CG ASN A 24 2.054 15.570 2.082 1.00 74.30 C ATOM 369 OD1 ASN A 24 2.518 16.122 3.080 1.00 50.50 O ATOM 370 ND2 ASN A 24 2.369 15.942 0.846 1.00 21.10 N ATOM 0 H ASN A 24 -0.140 14.533 4.611 1.00 32.40 H new ATOM 0 HA ASN A 24 -0.575 15.763 1.952 1.00 45.20 H new ATOM 0 HB2 ASN A 24 1.428 13.733 2.984 1.00 31.20 H new ATOM 0 HB3 ASN A 24 1.056 13.857 1.276 1.00 31.20 H new ATOM 0 HD21 ASN A 24 3.019 16.713 0.696 1.00 21.10 H new ATOM 0 HD22 ASN A 24 1.961 15.456 0.047 1.00 21.10 H new ATOM 377 N TYR A 25 -2.578 13.969 2.692 1.00 52.10 N ATOM 378 CA TYR A 25 -3.639 12.995 2.452 1.00 32.10 C ATOM 379 C TYR A 25 -3.791 12.703 0.962 1.00 71.10 C ATOM 380 O TYR A 25 -4.173 11.601 0.571 1.00 31.30 O ATOM 381 CB TYR A 25 -4.966 13.505 3.019 1.00 20.20 C ATOM 382 CG TYR A 25 -5.047 13.434 4.527 1.00 54.10 C ATOM 383 CD1 TYR A 25 -4.426 14.392 5.321 1.00 70.50 C ATOM 384 CD2 TYR A 25 -5.744 12.412 5.158 1.00 11.10 C ATOM 385 CE1 TYR A 25 -4.498 14.331 6.699 1.00 71.40 C ATOM 386 CE2 TYR A 25 -5.821 12.344 6.535 1.00 12.00 C ATOM 387 CZ TYR A 25 -5.196 13.305 7.302 1.00 34.10 C ATOM 388 OH TYR A 25 -5.271 13.241 8.674 1.00 72.40 O ATOM 0 H TYR A 25 -2.867 14.780 3.239 1.00 52.10 H new ATOM 0 HA TYR A 25 -3.364 12.069 2.957 1.00 32.10 H new ATOM 0 HB2 TYR A 25 -5.113 14.538 2.704 1.00 20.20 H new ATOM 0 HB3 TYR A 25 -5.782 12.922 2.592 1.00 20.20 H new ATOM 0 HD1 TYR A 25 -3.879 15.197 4.853 1.00 70.50 H new ATOM 0 HD2 TYR A 25 -6.234 11.657 4.561 1.00 11.10 H new ATOM 0 HE1 TYR A 25 -4.010 15.083 7.302 1.00 71.40 H new ATOM 0 HE2 TYR A 25 -6.368 11.542 7.009 1.00 12.00 H new ATOM 0 HH TYR A 25 -5.800 12.459 8.937 1.00 72.40 H new ATOM 398 N GLU A 26 -3.488 13.699 0.134 1.00 54.40 N ATOM 399 CA GLU A 26 -3.590 13.547 -1.313 1.00 22.00 C ATOM 400 C GLU A 26 -2.527 12.586 -1.836 1.00 74.10 C ATOM 401 O GLU A 26 -2.830 11.654 -2.581 1.00 24.30 O ATOM 402 CB GLU A 26 -3.449 14.907 -2.000 1.00 73.10 C ATOM 403 CG GLU A 26 -4.778 15.596 -2.264 1.00 52.40 C ATOM 404 CD GLU A 26 -5.175 15.557 -3.727 1.00 14.40 C ATOM 405 OE1 GLU A 26 -4.932 14.521 -4.380 1.00 31.10 O ATOM 406 OE2 GLU A 26 -5.728 16.563 -4.219 1.00 23.40 O ATOM 0 H GLU A 26 -3.170 14.619 0.440 1.00 54.40 H new ATOM 0 HA GLU A 26 -4.572 13.132 -1.542 1.00 22.00 H new ATOM 0 HB2 GLU A 26 -2.830 15.555 -1.380 1.00 73.10 H new ATOM 0 HB3 GLU A 26 -2.924 14.774 -2.946 1.00 73.10 H new ATOM 0 HG2 GLU A 26 -5.555 15.118 -1.668 1.00 52.40 H new ATOM 0 HG3 GLU A 26 -4.717 16.634 -1.936 1.00 52.40 H new ATOM 413 N GLU A 27 -1.280 12.822 -1.441 1.00 33.30 N ATOM 414 CA GLU A 27 -0.171 11.978 -1.869 1.00 23.10 C ATOM 415 C GLU A 27 -0.247 10.603 -1.214 1.00 23.10 C ATOM 416 O GLU A 27 0.091 9.592 -1.829 1.00 14.50 O ATOM 417 CB GLU A 27 1.164 12.644 -1.529 1.00 42.40 C ATOM 418 CG GLU A 27 2.300 12.242 -2.457 1.00 61.10 C ATOM 419 CD GLU A 27 2.791 13.394 -3.312 1.00 74.30 C ATOM 420 OE1 GLU A 27 1.956 14.229 -3.719 1.00 50.40 O ATOM 421 OE2 GLU A 27 4.011 13.461 -3.573 1.00 15.10 O ATOM 0 H GLU A 27 -1.013 13.590 -0.826 1.00 33.30 H new ATOM 0 HA GLU A 27 -0.242 11.849 -2.949 1.00 23.10 H new ATOM 0 HB2 GLU A 27 1.041 13.726 -1.568 1.00 42.40 H new ATOM 0 HB3 GLU A 27 1.436 12.390 -0.504 1.00 42.40 H new ATOM 0 HG2 GLU A 27 3.129 11.856 -1.864 1.00 61.10 H new ATOM 0 HG3 GLU A 27 1.966 11.431 -3.104 1.00 61.10 H new ATOM 428 N ALA A 28 -0.692 10.574 0.038 1.00 3.13 N ATOM 429 CA ALA A 28 -0.812 9.323 0.778 1.00 72.30 C ATOM 430 C ALA A 28 -1.740 8.347 0.063 1.00 4.33 C ATOM 431 O ALA A 28 -1.478 7.146 0.018 1.00 22.30 O ATOM 432 CB ALA A 28 -1.313 9.592 2.189 1.00 64.40 C ATOM 0 H ALA A 28 -0.975 11.402 0.561 1.00 3.13 H new ATOM 0 HA ALA A 28 0.177 8.867 0.834 1.00 72.30 H new ATOM 0 HB1 ALA A 28 -1.398 8.650 2.731 1.00 64.40 H new ATOM 0 HB2 ALA A 28 -0.611 10.246 2.706 1.00 64.40 H new ATOM 0 HB3 ALA A 28 -2.290 10.073 2.143 1.00 64.40 H new ATOM 438 N LEU A 29 -2.826 8.872 -0.495 1.00 53.50 N ATOM 439 CA LEU A 29 -3.795 8.048 -1.208 1.00 41.20 C ATOM 440 C LEU A 29 -3.142 7.341 -2.391 1.00 52.40 C ATOM 441 O LEU A 29 -3.337 6.143 -2.596 1.00 2.01 O ATOM 442 CB LEU A 29 -4.966 8.904 -1.692 1.00 31.40 C ATOM 443 CG LEU A 29 -6.129 8.122 -2.305 1.00 63.50 C ATOM 444 CD1 LEU A 29 -6.839 7.301 -1.241 1.00 1.51 C ATOM 445 CD2 LEU A 29 -7.103 9.068 -2.990 1.00 44.10 C ATOM 0 H LEU A 29 -3.057 9.865 -0.467 1.00 53.50 H new ATOM 0 HA LEU A 29 -4.169 7.292 -0.518 1.00 41.20 H new ATOM 0 HB2 LEU A 29 -5.343 9.486 -0.851 1.00 31.40 H new ATOM 0 HB3 LEU A 29 -4.596 9.614 -2.431 1.00 31.40 H new ATOM 0 HG LEU A 29 -5.729 7.439 -3.054 1.00 63.50 H new ATOM 0 HD11 LEU A 29 -7.663 6.751 -1.695 1.00 1.51 H new ATOM 0 HD12 LEU A 29 -6.136 6.597 -0.795 1.00 1.51 H new ATOM 0 HD13 LEU A 29 -7.227 7.965 -0.468 1.00 1.51 H new ATOM 0 HD21 LEU A 29 -7.924 8.495 -3.421 1.00 44.10 H new ATOM 0 HD22 LEU A 29 -7.497 9.775 -2.260 1.00 44.10 H new ATOM 0 HD23 LEU A 29 -6.586 9.612 -3.781 1.00 44.10 H new ATOM 457 N ARG A 30 -2.369 8.091 -3.169 1.00 72.10 N ATOM 458 CA ARG A 30 -1.689 7.536 -4.334 1.00 45.50 C ATOM 459 C ARG A 30 -0.544 6.619 -3.914 1.00 70.20 C ATOM 460 O ARG A 30 -0.266 5.617 -4.571 1.00 35.40 O ATOM 461 CB ARG A 30 -1.159 8.662 -5.226 1.00 61.40 C ATOM 462 CG ARG A 30 -1.999 8.897 -6.470 1.00 73.20 C ATOM 463 CD ARG A 30 -3.227 9.740 -6.165 1.00 72.00 C ATOM 464 NE ARG A 30 -3.066 11.123 -6.608 1.00 52.20 N ATOM 465 CZ ARG A 30 -3.998 12.062 -6.460 1.00 63.40 C ATOM 466 NH1 ARG A 30 -5.157 11.772 -5.882 1.00 24.30 N ATOM 467 NH2 ARG A 30 -3.771 13.295 -6.893 1.00 64.40 N ATOM 0 H ARG A 30 -2.198 9.085 -3.014 1.00 72.10 H new ATOM 0 HA ARG A 30 -2.412 6.946 -4.897 1.00 45.50 H new ATOM 0 HB2 ARG A 30 -1.117 9.584 -4.647 1.00 61.40 H new ATOM 0 HB3 ARG A 30 -0.138 8.427 -5.526 1.00 61.40 H new ATOM 0 HG2 ARG A 30 -1.395 9.394 -7.229 1.00 73.20 H new ATOM 0 HG3 ARG A 30 -2.309 7.939 -6.887 1.00 73.20 H new ATOM 0 HD2 ARG A 30 -4.098 9.302 -6.653 1.00 72.00 H new ATOM 0 HD3 ARG A 30 -3.421 9.723 -5.093 1.00 72.00 H new ATOM 0 HE ARG A 30 -2.188 11.384 -7.057 1.00 52.20 H new ATOM 0 HH11 ARG A 30 -5.338 10.825 -5.548 1.00 24.30 H new ATOM 0 HH12 ARG A 30 -5.867 12.496 -5.772 1.00 24.30 H new ATOM 0 HH21 ARG A 30 -2.883 13.523 -7.339 1.00 64.40 H new ATOM 0 HH22 ARG A 30 -4.485 14.015 -6.780 1.00 64.40 H new ATOM 481 N LEU A 31 0.116 6.969 -2.815 1.00 1.51 N ATOM 482 CA LEU A 31 1.232 6.177 -2.309 1.00 55.20 C ATOM 483 C LEU A 31 0.742 4.854 -1.729 1.00 61.10 C ATOM 484 O LEU A 31 1.430 3.836 -1.815 1.00 15.10 O ATOM 485 CB LEU A 31 2.000 6.963 -1.243 1.00 45.00 C ATOM 486 CG LEU A 31 3.245 7.694 -1.749 1.00 1.02 C ATOM 487 CD1 LEU A 31 4.335 6.700 -2.115 1.00 72.20 C ATOM 488 CD2 LEU A 31 2.901 8.573 -2.944 1.00 11.20 C ATOM 0 H LEU A 31 -0.102 7.795 -2.258 1.00 1.51 H new ATOM 0 HA LEU A 31 1.900 5.961 -3.143 1.00 55.20 H new ATOM 0 HB2 LEU A 31 1.326 7.693 -0.795 1.00 45.00 H new ATOM 0 HB3 LEU A 31 2.298 6.276 -0.451 1.00 45.00 H new ATOM 0 HG LEU A 31 3.617 8.333 -0.948 1.00 1.02 H new ATOM 0 HD11 LEU A 31 5.213 7.238 -2.473 1.00 72.20 H new ATOM 0 HD12 LEU A 31 4.602 6.113 -1.236 1.00 72.20 H new ATOM 0 HD13 LEU A 31 3.973 6.035 -2.899 1.00 72.20 H new ATOM 0 HD21 LEU A 31 3.799 9.085 -3.290 1.00 11.20 H new ATOM 0 HD22 LEU A 31 2.504 7.954 -3.748 1.00 11.20 H new ATOM 0 HD23 LEU A 31 2.154 9.310 -2.650 1.00 11.20 H new ATOM 500 N TYR A 32 -0.448 4.873 -1.140 1.00 23.00 N ATOM 501 CA TYR A 32 -1.027 3.673 -0.547 1.00 13.00 C ATOM 502 C TYR A 32 -1.568 2.739 -1.625 1.00 43.30 C ATOM 503 O TYR A 32 -1.334 1.531 -1.589 1.00 30.00 O ATOM 504 CB TYR A 32 -2.144 4.049 0.430 1.00 64.00 C ATOM 505 CG TYR A 32 -1.801 3.773 1.877 1.00 64.10 C ATOM 506 CD1 TYR A 32 -2.032 2.523 2.440 1.00 32.30 C ATOM 507 CD2 TYR A 32 -1.246 4.761 2.681 1.00 43.10 C ATOM 508 CE1 TYR A 32 -1.721 2.266 3.761 1.00 12.40 C ATOM 509 CE2 TYR A 32 -0.931 4.512 4.003 1.00 44.30 C ATOM 510 CZ TYR A 32 -1.171 3.263 4.538 1.00 71.50 C ATOM 511 OH TYR A 32 -0.858 3.011 5.854 1.00 44.30 O ATOM 0 H TYR A 32 -1.031 5.706 -1.060 1.00 23.00 H new ATOM 0 HA TYR A 32 -0.240 3.151 -0.003 1.00 13.00 H new ATOM 0 HB2 TYR A 32 -2.374 5.108 0.316 1.00 64.00 H new ATOM 0 HB3 TYR A 32 -3.046 3.497 0.167 1.00 64.00 H new ATOM 0 HD1 TYR A 32 -2.462 1.739 1.834 1.00 32.30 H new ATOM 0 HD2 TYR A 32 -1.058 5.740 2.266 1.00 43.10 H new ATOM 0 HE1 TYR A 32 -1.908 1.289 4.183 1.00 12.40 H new ATOM 0 HE2 TYR A 32 -0.499 5.291 4.614 1.00 44.30 H new ATOM 0 HH TYR A 32 -0.478 3.818 6.260 1.00 44.30 H new ATOM 521 N GLN A 33 -2.293 3.307 -2.584 1.00 2.13 N ATOM 522 CA GLN A 33 -2.868 2.525 -3.673 1.00 50.00 C ATOM 523 C GLN A 33 -1.780 1.801 -4.460 1.00 2.53 C ATOM 524 O GLN A 33 -1.992 0.695 -4.957 1.00 10.20 O ATOM 525 CB GLN A 33 -3.672 3.430 -4.609 1.00 64.00 C ATOM 526 CG GLN A 33 -5.064 3.758 -4.093 1.00 31.10 C ATOM 527 CD GLN A 33 -6.154 3.391 -5.080 1.00 65.50 C ATOM 528 OE1 GLN A 33 -6.422 2.214 -5.321 1.00 73.20 O ATOM 529 NE2 GLN A 33 -6.791 4.402 -5.661 1.00 35.20 N ATOM 0 H GLN A 33 -2.496 4.306 -2.629 1.00 2.13 H new ATOM 0 HA GLN A 33 -3.533 1.779 -3.238 1.00 50.00 H new ATOM 0 HB2 GLN A 33 -3.123 4.359 -4.763 1.00 64.00 H new ATOM 0 HB3 GLN A 33 -3.759 2.946 -5.582 1.00 64.00 H new ATOM 0 HG2 GLN A 33 -5.234 3.228 -3.156 1.00 31.10 H new ATOM 0 HG3 GLN A 33 -5.123 4.824 -3.872 1.00 31.10 H new ATOM 0 HE21 GLN A 33 -6.537 5.363 -5.433 1.00 35.20 H new ATOM 0 HE22 GLN A 33 -7.534 4.217 -6.335 1.00 35.20 H new ATOM 538 N HIS A 34 -0.616 2.433 -4.570 1.00 23.40 N ATOM 539 CA HIS A 34 0.505 1.850 -5.299 1.00 43.30 C ATOM 540 C HIS A 34 1.013 0.591 -4.604 1.00 52.50 C ATOM 541 O HIS A 34 1.180 -0.454 -5.234 1.00 42.50 O ATOM 542 CB HIS A 34 1.638 2.869 -5.431 1.00 30.50 C ATOM 543 CG HIS A 34 1.626 3.614 -6.729 1.00 35.20 C ATOM 544 ND1 HIS A 34 2.578 3.435 -7.709 1.00 63.20 N ATOM 545 CD2 HIS A 34 0.765 4.544 -7.208 1.00 75.10 C ATOM 546 CE1 HIS A 34 2.307 4.224 -8.734 1.00 73.40 C ATOM 547 NE2 HIS A 34 1.212 4.906 -8.455 1.00 22.40 N ATOM 0 H HIS A 34 -0.424 3.349 -4.164 1.00 23.40 H new ATOM 0 HA HIS A 34 0.155 1.575 -6.294 1.00 43.30 H new ATOM 0 HB2 HIS A 34 1.570 3.584 -4.611 1.00 30.50 H new ATOM 0 HB3 HIS A 34 2.593 2.354 -5.326 1.00 30.50 H new ATOM 0 HD2 HIS A 34 -0.109 4.929 -6.704 1.00 75.10 H new ATOM 0 HE1 HIS A 34 2.883 4.298 -9.644 1.00 73.40 H new ATOM 0 HE2 HIS A 34 0.769 5.591 -9.067 1.00 22.40 H new ATOM 556 N ALA A 35 1.261 0.697 -3.303 1.00 43.40 N ATOM 557 CA ALA A 35 1.752 -0.432 -2.521 1.00 40.20 C ATOM 558 C ALA A 35 0.795 -1.617 -2.601 1.00 64.40 C ATOM 559 O ALA A 35 1.212 -2.771 -2.505 1.00 11.20 O ATOM 560 CB ALA A 35 1.965 -0.019 -1.074 1.00 11.40 C ATOM 0 H ALA A 35 1.130 1.555 -2.767 1.00 43.40 H new ATOM 0 HA ALA A 35 2.708 -0.744 -2.943 1.00 40.20 H new ATOM 0 HB1 ALA A 35 2.331 -0.872 -0.502 1.00 11.40 H new ATOM 0 HB2 ALA A 35 2.696 0.789 -1.030 1.00 11.40 H new ATOM 0 HB3 ALA A 35 1.021 0.323 -0.650 1.00 11.40 H new ATOM 566 N VAL A 36 -0.491 -1.324 -2.773 1.00 5.24 N ATOM 567 CA VAL A 36 -1.506 -2.367 -2.862 1.00 11.20 C ATOM 568 C VAL A 36 -1.406 -3.119 -4.186 1.00 24.40 C ATOM 569 O VAL A 36 -1.628 -4.329 -4.240 1.00 33.40 O ATOM 570 CB VAL A 36 -2.925 -1.783 -2.722 1.00 21.20 C ATOM 571 CG1 VAL A 36 -3.959 -2.897 -2.658 1.00 1.33 C ATOM 572 CG2 VAL A 36 -3.018 -0.889 -1.494 1.00 55.50 C ATOM 0 H VAL A 36 -0.854 -0.374 -2.853 1.00 5.24 H new ATOM 0 HA VAL A 36 -1.323 -3.058 -2.039 1.00 11.20 H new ATOM 0 HB VAL A 36 -3.134 -1.175 -3.602 1.00 21.20 H new ATOM 0 HG11 VAL A 36 -4.954 -2.464 -2.559 1.00 1.33 H new ATOM 0 HG12 VAL A 36 -3.911 -3.491 -3.571 1.00 1.33 H new ATOM 0 HG13 VAL A 36 -3.754 -3.535 -1.798 1.00 1.33 H new ATOM 0 HG21 VAL A 36 -4.028 -0.486 -1.413 1.00 55.50 H new ATOM 0 HG22 VAL A 36 -2.787 -1.471 -0.602 1.00 55.50 H new ATOM 0 HG23 VAL A 36 -2.307 -0.068 -1.587 1.00 55.50 H new ATOM 582 N GLU A 37 -1.073 -2.395 -5.249 1.00 4.41 N ATOM 583 CA GLU A 37 -0.945 -2.994 -6.572 1.00 5.24 C ATOM 584 C GLU A 37 0.280 -3.900 -6.646 1.00 63.10 C ATOM 585 O GLU A 37 0.242 -4.962 -7.267 1.00 3.25 O ATOM 586 CB GLU A 37 -0.852 -1.904 -7.642 1.00 55.30 C ATOM 587 CG GLU A 37 -2.195 -1.297 -8.011 1.00 61.30 C ATOM 588 CD GLU A 37 -2.849 -2.002 -9.183 1.00 34.10 C ATOM 589 OE1 GLU A 37 -2.130 -2.356 -10.140 1.00 41.10 O ATOM 590 OE2 GLU A 37 -4.083 -2.197 -9.146 1.00 42.10 O ATOM 0 H GLU A 37 -0.887 -1.393 -5.220 1.00 4.41 H new ATOM 0 HA GLU A 37 -1.833 -3.599 -6.755 1.00 5.24 H new ATOM 0 HB2 GLU A 37 -0.191 -1.114 -7.287 1.00 55.30 H new ATOM 0 HB3 GLU A 37 -0.394 -2.324 -8.538 1.00 55.30 H new ATOM 0 HG2 GLU A 37 -2.859 -1.341 -7.148 1.00 61.30 H new ATOM 0 HG3 GLU A 37 -2.059 -0.243 -8.255 1.00 61.30 H new ATOM 597 N TYR A 38 1.365 -3.473 -6.009 1.00 62.30 N ATOM 598 CA TYR A 38 2.603 -4.244 -6.004 1.00 53.20 C ATOM 599 C TYR A 38 2.423 -5.561 -5.253 1.00 43.20 C ATOM 600 O TYR A 38 2.998 -6.583 -5.627 1.00 22.20 O ATOM 601 CB TYR A 38 3.732 -3.432 -5.367 1.00 73.30 C ATOM 602 CG TYR A 38 4.494 -2.577 -6.354 1.00 55.40 C ATOM 603 CD1 TYR A 38 4.045 -1.308 -6.695 1.00 52.30 C ATOM 604 CD2 TYR A 38 5.664 -3.041 -6.944 1.00 64.50 C ATOM 605 CE1 TYR A 38 4.739 -0.524 -7.597 1.00 2.23 C ATOM 606 CE2 TYR A 38 6.364 -2.263 -7.846 1.00 22.20 C ATOM 607 CZ TYR A 38 5.898 -1.006 -8.169 1.00 24.10 C ATOM 608 OH TYR A 38 6.591 -0.228 -9.068 1.00 75.20 O ATOM 0 H TYR A 38 1.412 -2.597 -5.489 1.00 62.30 H new ATOM 0 HA TYR A 38 2.864 -4.469 -7.038 1.00 53.20 H new ATOM 0 HB2 TYR A 38 3.314 -2.791 -4.591 1.00 73.30 H new ATOM 0 HB3 TYR A 38 4.427 -4.114 -4.877 1.00 73.30 H new ATOM 0 HD1 TYR A 38 3.139 -0.927 -6.248 1.00 52.30 H new ATOM 0 HD2 TYR A 38 6.032 -4.025 -6.693 1.00 64.50 H new ATOM 0 HE1 TYR A 38 4.376 0.461 -7.853 1.00 2.23 H new ATOM 0 HE2 TYR A 38 7.272 -2.637 -8.296 1.00 22.20 H new ATOM 0 HH TYR A 38 6.990 0.536 -8.601 1.00 75.20 H new ATOM 618 N PHE A 39 1.624 -5.528 -4.192 1.00 72.30 N ATOM 619 CA PHE A 39 1.370 -6.719 -3.388 1.00 65.30 C ATOM 620 C PHE A 39 0.542 -7.737 -4.166 1.00 63.10 C ATOM 621 O PHE A 39 0.908 -8.909 -4.258 1.00 34.40 O ATOM 622 CB PHE A 39 0.650 -6.341 -2.093 1.00 53.10 C ATOM 623 CG PHE A 39 1.580 -5.966 -0.976 1.00 73.10 C ATOM 624 CD1 PHE A 39 2.549 -6.854 -0.535 1.00 40.10 C ATOM 625 CD2 PHE A 39 1.487 -4.725 -0.366 1.00 31.00 C ATOM 626 CE1 PHE A 39 3.407 -6.511 0.492 1.00 54.10 C ATOM 627 CE2 PHE A 39 2.343 -4.377 0.662 1.00 25.30 C ATOM 628 CZ PHE A 39 3.304 -5.272 1.092 1.00 11.30 C ATOM 0 H PHE A 39 1.141 -4.690 -3.868 1.00 72.30 H new ATOM 0 HA PHE A 39 2.331 -7.172 -3.143 1.00 65.30 H new ATOM 0 HB2 PHE A 39 -0.022 -5.506 -2.291 1.00 53.10 H new ATOM 0 HB3 PHE A 39 0.031 -7.179 -1.773 1.00 53.10 H new ATOM 0 HD1 PHE A 39 2.634 -7.825 -1.000 1.00 40.10 H new ATOM 0 HD2 PHE A 39 0.737 -4.022 -0.698 1.00 31.00 H new ATOM 0 HE1 PHE A 39 4.158 -7.212 0.825 1.00 54.10 H new ATOM 0 HE2 PHE A 39 2.261 -3.407 1.129 1.00 25.30 H new ATOM 0 HZ PHE A 39 3.973 -5.003 1.896 1.00 11.30 H new ATOM 638 N LEU A 40 -0.576 -7.282 -4.723 1.00 63.30 N ATOM 639 CA LEU A 40 -1.457 -8.153 -5.492 1.00 20.20 C ATOM 640 C LEU A 40 -0.723 -8.762 -6.681 1.00 4.20 C ATOM 641 O LEU A 40 -0.921 -9.929 -7.016 1.00 45.20 O ATOM 642 CB LEU A 40 -2.681 -7.375 -5.977 1.00 22.00 C ATOM 643 CG LEU A 40 -3.769 -7.157 -4.924 1.00 72.00 C ATOM 644 CD1 LEU A 40 -4.794 -6.147 -5.417 1.00 75.20 C ATOM 645 CD2 LEU A 40 -4.443 -8.476 -4.574 1.00 22.30 C ATOM 0 H LEU A 40 -0.893 -6.315 -4.656 1.00 63.30 H new ATOM 0 HA LEU A 40 -1.784 -8.962 -4.839 1.00 20.20 H new ATOM 0 HB2 LEU A 40 -2.352 -6.403 -6.344 1.00 22.00 H new ATOM 0 HB3 LEU A 40 -3.117 -7.905 -6.824 1.00 22.00 H new ATOM 0 HG LEU A 40 -3.302 -6.760 -4.023 1.00 72.00 H new ATOM 0 HD11 LEU A 40 -5.560 -6.005 -4.655 1.00 75.20 H new ATOM 0 HD12 LEU A 40 -4.300 -5.196 -5.617 1.00 75.20 H new ATOM 0 HD13 LEU A 40 -5.257 -6.516 -6.332 1.00 75.20 H new ATOM 0 HD21 LEU A 40 -5.214 -8.303 -3.824 1.00 22.30 H new ATOM 0 HD22 LEU A 40 -4.897 -8.902 -5.469 1.00 22.30 H new ATOM 0 HD23 LEU A 40 -3.701 -9.170 -4.178 1.00 22.30 H new ATOM 657 N HIS A 41 0.127 -7.963 -7.319 1.00 11.40 N ATOM 658 CA HIS A 41 0.890 -8.424 -8.473 1.00 51.40 C ATOM 659 C HIS A 41 1.929 -9.462 -8.061 1.00 44.20 C ATOM 660 O HIS A 41 2.269 -10.350 -8.837 1.00 31.00 O ATOM 661 CB HIS A 41 1.579 -7.242 -9.160 1.00 12.30 C ATOM 662 CG HIS A 41 2.085 -7.562 -10.530 1.00 20.20 C ATOM 663 ND1 HIS A 41 1.610 -6.949 -11.670 1.00 34.40 N ATOM 664 CD2 HIS A 41 3.032 -8.437 -10.940 1.00 13.40 C ATOM 665 CE1 HIS A 41 2.241 -7.433 -12.720 1.00 1.24 C ATOM 666 NE2 HIS A 41 3.110 -8.336 -12.310 1.00 13.50 N ATOM 0 H HIS A 41 0.304 -6.994 -7.056 1.00 11.40 H new ATOM 0 HA HIS A 41 0.196 -8.890 -9.173 1.00 51.40 H new ATOM 0 HB2 HIS A 41 0.877 -6.410 -9.225 1.00 12.30 H new ATOM 0 HB3 HIS A 41 2.413 -6.908 -8.542 1.00 12.30 H new ATOM 0 HD2 HIS A 41 3.617 -9.091 -10.310 1.00 13.40 H new ATOM 0 HE1 HIS A 41 2.074 -7.139 -13.746 1.00 1.24 H new ATOM 0 HE2 HIS A 41 3.737 -8.872 -12.910 1.00 13.50 H new ATOM 675 N ALA A 42 2.429 -9.339 -6.836 1.00 71.30 N ATOM 676 CA ALA A 42 3.429 -10.260 -6.323 1.00 44.10 C ATOM 677 C ALA A 42 2.821 -11.630 -6.048 1.00 2.21 C ATOM 678 O ALA A 42 3.458 -12.660 -6.270 1.00 45.30 O ATOM 679 CB ALA A 42 4.067 -9.707 -5.059 1.00 25.10 C ATOM 0 H ALA A 42 2.155 -8.607 -6.180 1.00 71.30 H new ATOM 0 HA ALA A 42 4.200 -10.374 -7.085 1.00 44.10 H new ATOM 0 HB1 ALA A 42 4.813 -10.411 -4.690 1.00 25.10 H new ATOM 0 HB2 ALA A 42 4.546 -8.753 -5.281 1.00 25.10 H new ATOM 0 HB3 ALA A 42 3.300 -9.560 -4.299 1.00 25.10 H new ATOM 685 N ILE A 43 1.584 -11.640 -5.560 1.00 63.10 N ATOM 686 CA ILE A 43 0.890 -12.880 -5.253 1.00 20.50 C ATOM 687 C ILE A 43 0.491 -13.620 -6.528 1.00 60.50 C ATOM 688 O ILE A 43 0.678 -14.830 -6.638 1.00 42.20 O ATOM 689 CB ILE A 43 -0.371 -12.630 -4.403 1.00 53.50 C ATOM 690 CG1 ILE A 43 -0.033 -11.760 -3.192 1.00 53.30 C ATOM 691 CG2 ILE A 43 -0.983 -13.950 -3.956 1.00 3.55 C ATOM 692 CD1 ILE A 43 -1.210 -10.960 -2.675 1.00 11.00 C ATOM 0 H ILE A 43 1.042 -10.797 -5.369 1.00 63.10 H new ATOM 0 HA ILE A 43 1.586 -13.494 -4.681 1.00 20.50 H new ATOM 0 HB ILE A 43 -1.102 -12.102 -5.016 1.00 53.50 H new ATOM 0 HG12 ILE A 43 0.343 -12.397 -2.391 1.00 53.30 H new ATOM 0 HG13 ILE A 43 0.772 -11.075 -3.460 1.00 53.30 H new ATOM 0 HG21 ILE A 43 -1.872 -13.754 -3.357 1.00 3.55 H new ATOM 0 HG22 ILE A 43 -1.257 -14.539 -4.831 1.00 3.55 H new ATOM 0 HG23 ILE A 43 -0.258 -14.504 -3.359 1.00 3.55 H new ATOM 0 HD11 ILE A 43 -0.897 -10.366 -1.816 1.00 11.00 H new ATOM 0 HD12 ILE A 43 -1.573 -10.298 -3.461 1.00 11.00 H new ATOM 0 HD13 ILE A 43 -2.008 -11.639 -2.376 1.00 11.00 H new ATOM 704 N LYS A 44 -0.058 -12.880 -7.487 1.00 65.40 N ATOM 705 CA LYS A 44 -0.483 -13.470 -8.752 1.00 43.10 C ATOM 706 C LYS A 44 0.691 -14.120 -9.475 1.00 1.52 C ATOM 707 O LYS A 44 0.615 -15.280 -9.889 1.00 63.20 O ATOM 708 CB LYS A 44 -1.118 -12.400 -9.645 1.00 4.13 C ATOM 709 CG LYS A 44 -2.278 -12.920 -10.480 1.00 14.40 C ATOM 710 CD LYS A 44 -1.931 -12.950 -11.960 1.00 71.40 C ATOM 711 CE LYS A 44 -2.485 -14.190 -12.640 1.00 10.20 C ATOM 712 NZ LYS A 44 -1.431 -15.220 -12.860 1.00 65.30 N ATOM 0 H LYS A 44 -0.218 -11.875 -7.413 1.00 65.40 H new ATOM 0 HA LYS A 44 -1.221 -14.242 -8.535 1.00 43.10 H new ATOM 0 HB2 LYS A 44 -1.469 -11.578 -9.021 1.00 4.13 H new ATOM 0 HB3 LYS A 44 -0.356 -11.993 -10.309 1.00 4.13 H new ATOM 0 HG2 LYS A 44 -2.546 -13.923 -10.148 1.00 14.40 H new ATOM 0 HG3 LYS A 44 -3.152 -12.288 -10.323 1.00 14.40 H new ATOM 0 HD2 LYS A 44 -2.330 -12.059 -12.446 1.00 71.40 H new ATOM 0 HD3 LYS A 44 -0.848 -12.921 -12.081 1.00 71.40 H new ATOM 0 HE2 LYS A 44 -3.284 -14.612 -12.030 1.00 10.20 H new ATOM 0 HE3 LYS A 44 -2.927 -13.913 -13.597 1.00 10.20 H new ATOM 0 HZ1 LYS A 44 -1.849 -16.050 -13.326 1.00 65.30 H new ATOM 0 HZ2 LYS A 44 -0.681 -14.826 -13.463 1.00 65.30 H new ATOM 0 HZ3 LYS A 44 -1.027 -15.504 -11.945 1.00 65.30 H new ATOM 726 N TYR A 45 1.778 -13.370 -9.624 1.00 42.30 N ATOM 727 CA TYR A 45 2.969 -13.870 -10.290 1.00 41.40 C ATOM 728 C TYR A 45 3.796 -14.750 -9.363 1.00 32.10 C ATOM 729 O TYR A 45 3.964 -15.950 -9.603 1.00 3.55 O ATOM 730 CB TYR A 45 3.819 -12.710 -10.810 1.00 63.10 C ATOM 731 CG TYR A 45 3.358 -12.160 -12.140 1.00 52.00 C ATOM 732 CD1 TYR A 45 2.123 -11.540 -12.260 1.00 61.20 C ATOM 733 CD2 TYR A 45 4.156 -12.270 -13.270 1.00 52.20 C ATOM 734 CE1 TYR A 45 1.696 -11.040 -13.480 1.00 42.40 C ATOM 735 CE2 TYR A 45 3.737 -11.770 -14.490 1.00 22.40 C ATOM 736 CZ TYR A 45 2.506 -11.160 -14.590 1.00 32.30 C ATOM 737 OH TYR A 45 2.086 -10.660 -15.800 1.00 61.10 O ATOM 0 H TYR A 45 1.856 -12.409 -9.290 1.00 42.30 H new ATOM 0 HA TYR A 45 2.645 -14.479 -11.134 1.00 41.40 H new ATOM 0 HB2 TYR A 45 3.810 -11.907 -10.073 1.00 63.10 H new ATOM 0 HB3 TYR A 45 4.852 -13.044 -10.905 1.00 63.10 H new ATOM 0 HD1 TYR A 45 1.487 -11.446 -11.392 1.00 61.20 H new ATOM 0 HD2 TYR A 45 5.119 -12.753 -13.196 1.00 52.20 H new ATOM 0 HE1 TYR A 45 0.733 -10.558 -13.561 1.00 42.40 H new ATOM 0 HE2 TYR A 45 4.372 -11.857 -15.359 1.00 22.40 H new ATOM 0 HH TYR A 45 2.774 -10.825 -16.479 1.00 61.10 H new ATOM 747 N GLU A 46 4.313 -14.150 -8.297 1.00 43.30 N ATOM 748 CA GLU A 46 5.124 -14.870 -7.327 1.00 70.20 C ATOM 749 C GLU A 46 4.261 -15.420 -6.194 1.00 72.50 C ATOM 750 O GLU A 46 4.109 -14.780 -5.152 1.00 24.20 O ATOM 751 CB GLU A 46 6.213 -13.960 -6.758 1.00 42.10 C ATOM 752 CG GLU A 46 7.457 -13.890 -7.629 1.00 70.30 C ATOM 753 CD GLU A 46 8.738 -13.920 -6.820 1.00 62.30 C ATOM 754 OE1 GLU A 46 8.930 -13.030 -5.970 1.00 61.40 O ATOM 755 OE2 GLU A 46 9.551 -14.850 -7.037 1.00 63.00 O ATOM 0 H GLU A 46 4.183 -13.161 -8.083 1.00 43.30 H new ATOM 0 HA GLU A 46 5.595 -15.708 -7.841 1.00 70.20 H new ATOM 0 HB2 GLU A 46 5.808 -12.956 -6.634 1.00 42.10 H new ATOM 0 HB3 GLU A 46 6.492 -14.316 -5.766 1.00 42.10 H new ATOM 0 HG2 GLU A 46 7.454 -14.726 -8.328 1.00 70.30 H new ATOM 0 HG3 GLU A 46 7.429 -12.977 -8.224 1.00 70.30 H new ATOM 762 N ALA A 47 3.696 -16.610 -6.405 1.00 63.40 N ATOM 763 CA ALA A 47 2.849 -17.240 -5.402 1.00 31.10 C ATOM 764 C ALA A 47 3.671 -18.100 -4.455 1.00 72.30 C ATOM 765 O ALA A 47 4.161 -19.170 -4.839 1.00 20.40 O ATOM 766 CB ALA A 47 1.764 -18.070 -6.073 1.00 20.10 C ATOM 0 H ALA A 47 3.812 -17.153 -7.261 1.00 63.40 H new ATOM 0 HA ALA A 47 2.375 -16.454 -4.815 1.00 31.10 H new ATOM 0 HB1 ALA A 47 1.138 -18.535 -5.311 1.00 20.10 H new ATOM 0 HB2 ALA A 47 1.150 -17.426 -6.703 1.00 20.10 H new ATOM 0 HB3 ALA A 47 2.225 -18.844 -6.686 1.00 20.10 H new ATOM 772 N HIS A 48 3.818 -17.650 -3.216 1.00 72.20 N ATOM 773 CA HIS A 48 4.581 -18.380 -2.214 1.00 25.10 C ATOM 774 C HIS A 48 3.689 -19.360 -1.464 1.00 13.50 C ATOM 775 O HIS A 48 2.549 -19.610 -1.859 1.00 1.11 O ATOM 776 CB HIS A 48 5.236 -17.400 -1.229 1.00 63.40 C ATOM 777 CG HIS A 48 6.724 -17.330 -1.361 1.00 74.30 C ATOM 778 ND1 HIS A 48 7.358 -16.780 -2.452 1.00 3.23 N ATOM 779 CD2 HIS A 48 7.709 -17.750 -0.530 1.00 11.20 C ATOM 780 CE1 HIS A 48 8.667 -16.850 -2.287 1.00 12.10 C ATOM 781 NE2 HIS A 48 8.905 -17.440 -1.129 1.00 34.50 N ATOM 0 H HIS A 48 3.415 -16.776 -2.880 1.00 72.20 H new ATOM 0 HA HIS A 48 5.361 -18.946 -2.723 1.00 25.10 H new ATOM 0 HB2 HIS A 48 4.818 -16.406 -1.385 1.00 63.40 H new ATOM 0 HB3 HIS A 48 4.983 -17.696 -0.211 1.00 63.40 H new ATOM 0 HD2 HIS A 48 7.578 -18.237 0.425 1.00 11.20 H new ATOM 0 HE1 HIS A 48 9.413 -16.488 -2.979 1.00 12.10 H new ATOM 0 HE2 HIS A 48 9.829 -17.634 -0.742 1.00 34.50 H new ATOM 790 N SER A 49 4.214 -19.920 -0.380 1.00 13.10 N ATOM 791 CA SER A 49 3.464 -20.880 0.426 1.00 53.10 C ATOM 792 C SER A 49 2.228 -20.230 1.036 1.00 25.10 C ATOM 793 O SER A 49 2.055 -19.010 0.961 1.00 43.20 O ATOM 794 CB SER A 49 4.352 -21.450 1.533 1.00 4.14 C ATOM 795 OG SER A 49 4.078 -22.830 1.747 1.00 20.50 O ATOM 0 H SER A 49 5.155 -19.727 -0.038 1.00 13.10 H new ATOM 0 HA SER A 49 3.141 -21.691 -0.227 1.00 53.10 H new ATOM 0 HB2 SER A 49 5.401 -21.321 1.265 1.00 4.14 H new ATOM 0 HB3 SER A 49 4.188 -20.896 2.457 1.00 4.14 H new ATOM 0 HG SER A 49 4.659 -23.172 2.458 1.00 20.50 H new ATOM 801 N ASP A 50 1.370 -21.040 1.638 1.00 14.00 N ATOM 802 CA ASP A 50 0.147 -20.550 2.259 1.00 52.30 C ATOM 803 C ASP A 50 0.465 -19.530 3.352 1.00 3.11 C ATOM 804 O ASP A 50 -0.270 -18.560 3.545 1.00 34.20 O ATOM 805 CB ASP A 50 -0.659 -21.710 2.846 1.00 73.40 C ATOM 806 CG ASP A 50 -1.596 -22.330 1.830 1.00 34.50 C ATOM 807 OD1 ASP A 50 -2.217 -21.580 1.052 1.00 31.10 O ATOM 808 OD2 ASP A 50 -1.708 -23.580 1.812 1.00 44.50 O ATOM 0 H ASP A 50 1.500 -22.049 1.710 1.00 14.00 H new ATOM 0 HA ASP A 50 -0.449 -20.061 1.489 1.00 52.30 H new ATOM 0 HB2 ASP A 50 0.025 -22.472 3.219 1.00 73.40 H new ATOM 0 HB3 ASP A 50 -1.236 -21.354 3.699 1.00 73.40 H new ATOM 813 N LYS A 51 1.564 -19.760 4.063 1.00 64.20 N ATOM 814 CA LYS A 51 1.978 -18.860 5.137 1.00 24.40 C ATOM 815 C LYS A 51 2.299 -17.470 4.594 1.00 53.40 C ATOM 816 O LYS A 51 1.817 -16.460 5.113 1.00 5.10 O ATOM 817 CB LYS A 51 3.196 -19.430 5.866 1.00 63.40 C ATOM 818 CG LYS A 51 2.843 -20.230 7.112 1.00 23.10 C ATOM 819 CD LYS A 51 3.890 -20.050 8.200 1.00 21.20 C ATOM 820 CE LYS A 51 3.455 -19.020 9.231 1.00 60.20 C ATOM 821 NZ LYS A 51 4.079 -19.270 10.561 1.00 72.40 N ATOM 0 H LYS A 51 2.183 -20.558 3.917 1.00 64.20 H new ATOM 0 HA LYS A 51 1.150 -18.771 5.840 1.00 24.40 H new ATOM 0 HB2 LYS A 51 3.753 -20.069 5.180 1.00 63.40 H new ATOM 0 HB3 LYS A 51 3.857 -18.610 6.146 1.00 63.40 H new ATOM 0 HG2 LYS A 51 1.869 -19.914 7.486 1.00 23.10 H new ATOM 0 HG3 LYS A 51 2.759 -21.286 6.857 1.00 23.10 H new ATOM 0 HD2 LYS A 51 4.071 -21.005 8.693 1.00 21.20 H new ATOM 0 HD3 LYS A 51 4.833 -19.740 7.750 1.00 21.20 H new ATOM 0 HE2 LYS A 51 3.725 -18.022 8.885 1.00 60.20 H new ATOM 0 HE3 LYS A 51 2.370 -19.040 9.329 1.00 60.20 H new ATOM 0 HZ1 LYS A 51 3.758 -18.547 11.236 1.00 72.40 H new ATOM 0 HZ2 LYS A 51 3.801 -20.212 10.903 1.00 72.40 H new ATOM 0 HZ3 LYS A 51 5.114 -19.226 10.473 1.00 72.40 H new ATOM 835 N ALA A 52 3.119 -17.420 3.549 1.00 24.00 N ATOM 836 CA ALA A 52 3.506 -16.160 2.937 1.00 5.53 C ATOM 837 C ALA A 52 2.360 -15.570 2.123 1.00 3.33 C ATOM 838 O ALA A 52 2.176 -14.350 2.085 1.00 62.30 O ATOM 839 CB ALA A 52 4.734 -16.350 2.060 1.00 43.30 C ATOM 0 H ALA A 52 3.529 -18.244 3.109 1.00 24.00 H new ATOM 0 HA ALA A 52 3.750 -15.459 3.736 1.00 5.53 H new ATOM 0 HB1 ALA A 52 5.010 -15.397 1.609 1.00 43.30 H new ATOM 0 HB2 ALA A 52 5.561 -16.718 2.667 1.00 43.30 H new ATOM 0 HB3 ALA A 52 4.512 -17.072 1.274 1.00 43.30 H new ATOM 845 N LYS A 53 1.593 -16.440 1.471 1.00 3.14 N ATOM 846 CA LYS A 53 0.466 -16.000 0.656 1.00 62.00 C ATOM 847 C LYS A 53 -0.660 -15.450 1.529 1.00 13.10 C ATOM 848 O LYS A 53 -1.387 -14.550 1.126 1.00 51.00 O ATOM 849 CB LYS A 53 -0.051 -17.160 -0.200 1.00 3.33 C ATOM 850 CG LYS A 53 -0.692 -16.710 -1.504 1.00 60.50 C ATOM 851 CD LYS A 53 -1.483 -17.840 -2.150 1.00 63.30 C ATOM 852 CE LYS A 53 -1.947 -17.460 -3.548 1.00 74.40 C ATOM 853 NZ LYS A 53 -3.347 -17.900 -3.805 1.00 55.00 N ATOM 0 H LYS A 53 1.731 -17.450 1.491 1.00 3.14 H new ATOM 0 HA LYS A 53 0.812 -15.200 0.002 1.00 62.00 H new ATOM 0 HB2 LYS A 53 0.776 -17.833 -0.424 1.00 3.33 H new ATOM 0 HB3 LYS A 53 -0.779 -17.731 0.376 1.00 3.33 H new ATOM 0 HG2 LYS A 53 -1.352 -15.863 -1.314 1.00 60.50 H new ATOM 0 HG3 LYS A 53 0.080 -16.365 -2.191 1.00 60.50 H new ATOM 0 HD2 LYS A 53 -0.865 -18.737 -2.201 1.00 63.30 H new ATOM 0 HD3 LYS A 53 -2.347 -18.082 -1.531 1.00 63.30 H new ATOM 0 HE2 LYS A 53 -1.877 -16.379 -3.673 1.00 74.40 H new ATOM 0 HE3 LYS A 53 -1.283 -17.910 -4.286 1.00 74.40 H new ATOM 0 HZ1 LYS A 53 -3.627 -17.623 -4.768 1.00 55.00 H new ATOM 0 HZ2 LYS A 53 -3.409 -18.934 -3.710 1.00 55.00 H new ATOM 0 HZ3 LYS A 53 -3.984 -17.451 -3.117 1.00 55.00 H new ATOM 867 N GLU A 54 -0.800 -16.020 2.726 1.00 22.40 N ATOM 868 CA GLU A 54 -1.839 -15.590 3.654 1.00 74.30 C ATOM 869 C GLU A 54 -1.493 -14.240 4.276 1.00 3.52 C ATOM 870 O GLU A 54 -2.352 -13.370 4.410 1.00 23.10 O ATOM 871 CB GLU A 54 -2.032 -16.630 4.755 1.00 34.10 C ATOM 872 CG GLU A 54 -2.973 -17.760 4.366 1.00 25.10 C ATOM 873 CD GLU A 54 -4.321 -17.660 5.052 1.00 74.00 C ATOM 874 OE1 GLU A 54 -5.075 -16.710 4.741 1.00 71.20 O ATOM 875 OE2 GLU A 54 -4.622 -18.520 5.900 1.00 62.40 O ATOM 0 H GLU A 54 -0.209 -16.776 3.072 1.00 22.40 H new ATOM 0 HA GLU A 54 -2.767 -15.486 3.092 1.00 74.30 H new ATOM 0 HB2 GLU A 54 -1.062 -17.051 5.020 1.00 34.10 H new ATOM 0 HB3 GLU A 54 -2.419 -16.136 5.646 1.00 34.10 H new ATOM 0 HG2 GLU A 54 -3.118 -17.751 3.286 1.00 25.10 H new ATOM 0 HG3 GLU A 54 -2.511 -18.715 4.618 1.00 25.10 H new ATOM 882 N SER A 55 -0.229 -14.070 4.654 1.00 3.00 N ATOM 883 CA SER A 55 0.230 -12.830 5.263 1.00 74.00 C ATOM 884 C SER A 55 0.019 -11.650 4.322 1.00 61.30 C ATOM 885 O SER A 55 -0.384 -10.570 4.750 1.00 15.10 O ATOM 886 CB SER A 55 1.710 -12.940 5.637 1.00 33.30 C ATOM 887 OG SER A 55 1.869 -13.470 6.939 1.00 20.00 O ATOM 0 H SER A 55 0.496 -14.779 4.548 1.00 3.00 H new ATOM 0 HA SER A 55 -0.356 -12.660 6.166 1.00 74.00 H new ATOM 0 HB2 SER A 55 2.224 -13.577 4.917 1.00 33.30 H new ATOM 0 HB3 SER A 55 2.176 -11.956 5.582 1.00 33.30 H new ATOM 0 HG SER A 55 2.823 -13.532 7.153 1.00 20.00 H new ATOM 893 N ILE A 56 0.292 -11.860 3.039 1.00 5.12 N ATOM 894 CA ILE A 56 0.132 -10.810 2.039 1.00 22.40 C ATOM 895 C ILE A 56 -1.341 -10.500 1.802 1.00 43.50 C ATOM 896 O ILE A 56 -1.723 -9.341 1.654 1.00 25.30 O ATOM 897 CB ILE A 56 0.783 -11.210 0.698 1.00 74.40 C ATOM 898 CG1 ILE A 56 2.220 -11.680 0.921 1.00 55.20 C ATOM 899 CG2 ILE A 56 0.751 -10.040 -0.275 1.00 1.53 C ATOM 900 CD1 ILE A 56 2.677 -12.720 -0.083 1.00 52.00 C ATOM 0 H ILE A 56 0.626 -12.749 2.666 1.00 5.12 H new ATOM 0 HA ILE A 56 0.630 -9.922 2.427 1.00 22.40 H new ATOM 0 HB ILE A 56 0.214 -12.034 0.268 1.00 74.40 H new ATOM 0 HG12 ILE A 56 2.887 -10.820 0.871 1.00 55.20 H new ATOM 0 HG13 ILE A 56 2.307 -12.093 1.926 1.00 55.20 H new ATOM 0 HG21 ILE A 56 1.214 -10.337 -1.216 1.00 1.53 H new ATOM 0 HG22 ILE A 56 -0.283 -9.745 -0.456 1.00 1.53 H new ATOM 0 HG23 ILE A 56 1.299 -9.199 0.149 1.00 1.53 H new ATOM 0 HD11 ILE A 56 3.705 -13.008 0.134 1.00 52.00 H new ATOM 0 HD12 ILE A 56 2.033 -13.597 -0.018 1.00 52.00 H new ATOM 0 HD13 ILE A 56 2.622 -12.304 -1.089 1.00 52.00 H new ATOM 912 N ARG A 57 -2.166 -11.540 1.766 1.00 22.50 N ATOM 913 CA ARG A 57 -3.598 -11.370 1.545 1.00 71.10 C ATOM 914 C ARG A 57 -4.244 -10.610 2.699 1.00 54.30 C ATOM 915 O ARG A 57 -5.138 -9.797 2.490 1.00 12.50 O ATOM 916 CB ARG A 57 -4.270 -12.740 1.378 1.00 41.30 C ATOM 917 CG ARG A 57 -5.456 -12.720 0.428 1.00 13.40 C ATOM 918 CD ARG A 57 -5.061 -13.190 -0.965 1.00 71.20 C ATOM 919 NE ARG A 57 -6.218 -13.320 -1.847 1.00 13.40 N ATOM 920 CZ ARG A 57 -6.816 -12.290 -2.443 1.00 44.10 C ATOM 921 NH1 ARG A 57 -6.370 -11.050 -2.254 1.00 44.50 N ATOM 922 NH2 ARG A 57 -7.862 -12.500 -3.231 1.00 42.30 N ATOM 0 H ARG A 57 -1.869 -12.508 1.887 1.00 22.50 H new ATOM 0 HA ARG A 57 -3.735 -10.788 0.634 1.00 71.10 H new ATOM 0 HB2 ARG A 57 -3.533 -13.455 1.012 1.00 41.30 H new ATOM 0 HB3 ARG A 57 -4.602 -13.095 2.354 1.00 41.30 H new ATOM 0 HG2 ARG A 57 -6.247 -13.360 0.818 1.00 13.40 H new ATOM 0 HG3 ARG A 57 -5.861 -11.710 0.371 1.00 13.40 H new ATOM 0 HD2 ARG A 57 -4.352 -12.484 -1.398 1.00 71.20 H new ATOM 0 HD3 ARG A 57 -4.551 -14.150 -0.892 1.00 71.20 H new ATOM 0 HE ARG A 57 -6.590 -14.255 -2.016 1.00 13.40 H new ATOM 0 HH11 ARG A 57 -5.565 -10.884 -1.650 1.00 44.50 H new ATOM 0 HH12 ARG A 57 -6.833 -10.266 -2.714 1.00 44.50 H new ATOM 0 HH21 ARG A 57 -8.207 -13.449 -3.379 1.00 42.30 H new ATOM 0 HH22 ARG A 57 -8.322 -11.713 -3.689 1.00 42.30 H new ATOM 936 N ALA A 58 -3.788 -10.890 3.915 1.00 63.50 N ATOM 937 CA ALA A 58 -4.323 -10.230 5.101 1.00 10.10 C ATOM 938 C ALA A 58 -3.876 -8.782 5.176 1.00 31.00 C ATOM 939 O ALA A 58 -4.588 -7.931 5.711 1.00 1.02 O ATOM 940 CB ALA A 58 -3.897 -10.980 6.355 1.00 61.20 C ATOM 0 H ALA A 58 -3.050 -11.568 4.106 1.00 63.50 H new ATOM 0 HA ALA A 58 -5.411 -10.241 5.031 1.00 10.10 H new ATOM 0 HB1 ALA A 58 -4.302 -10.479 7.234 1.00 61.20 H new ATOM 0 HB2 ALA A 58 -4.275 -12.002 6.314 1.00 61.20 H new ATOM 0 HB3 ALA A 58 -2.809 -10.998 6.416 1.00 61.20 H new ATOM 946 N LYS A 59 -2.694 -8.501 4.638 1.00 62.40 N ATOM 947 CA LYS A 59 -2.153 -7.147 4.647 1.00 32.10 C ATOM 948 C LYS A 59 -2.860 -6.269 3.618 1.00 62.20 C ATOM 949 O LYS A 59 -3.073 -5.078 3.845 1.00 5.11 O ATOM 950 CB LYS A 59 -0.648 -7.175 4.368 1.00 62.40 C ATOM 951 CG LYS A 59 0.202 -6.862 5.590 1.00 34.40 C ATOM 952 CD LYS A 59 1.225 -7.956 5.859 1.00 71.40 C ATOM 953 CE LYS A 59 1.319 -8.278 7.342 1.00 21.20 C ATOM 954 NZ LYS A 59 2.495 -9.139 7.650 1.00 52.40 N ATOM 0 H LYS A 59 -2.093 -9.193 4.190 1.00 62.40 H new ATOM 0 HA LYS A 59 -2.324 -6.721 5.636 1.00 32.10 H new ATOM 0 HB2 LYS A 59 -0.375 -8.160 3.988 1.00 62.40 H new ATOM 0 HB3 LYS A 59 -0.419 -6.455 3.582 1.00 62.40 H new ATOM 0 HG2 LYS A 59 0.715 -5.912 5.442 1.00 34.40 H new ATOM 0 HG3 LYS A 59 -0.442 -6.744 6.461 1.00 34.40 H new ATOM 0 HD2 LYS A 59 0.951 -8.855 5.307 1.00 71.40 H new ATOM 0 HD3 LYS A 59 2.202 -7.641 5.491 1.00 71.40 H new ATOM 0 HE2 LYS A 59 1.389 -7.351 7.911 1.00 21.20 H new ATOM 0 HE3 LYS A 59 0.407 -8.781 7.663 1.00 21.20 H new ATOM 0 HZ1 LYS A 59 2.523 -9.336 8.671 1.00 52.40 H new ATOM 0 HZ2 LYS A 59 2.416 -10.034 7.127 1.00 52.40 H new ATOM 0 HZ3 LYS A 59 3.368 -8.649 7.368 1.00 52.40 H new ATOM 968 N CYS A 60 -3.220 -6.864 2.485 1.00 61.10 N ATOM 969 CA CYS A 60 -3.900 -6.135 1.422 1.00 21.50 C ATOM 970 C CYS A 60 -5.251 -5.609 1.898 1.00 55.10 C ATOM 971 O CYS A 60 -5.699 -4.545 1.469 1.00 24.30 O ATOM 972 CB CYS A 60 -4.094 -7.037 0.201 1.00 5.01 C ATOM 973 SG CYS A 60 -2.737 -6.965 -0.992 1.00 0.22 S ATOM 0 H CYS A 60 -3.052 -7.849 2.280 1.00 61.10 H new ATOM 0 HA CYS A 60 -3.277 -5.285 1.144 1.00 21.50 H new ATOM 0 HB2 CYS A 60 -4.213 -8.067 0.538 1.00 5.01 H new ATOM 0 HB3 CYS A 60 -5.020 -6.757 -0.301 1.00 5.01 H new ATOM 0 HG CYS A 60 -2.991 -7.762 -1.987 1.00 0.22 H new ATOM 979 N VAL A 61 -5.894 -6.360 2.786 1.00 62.20 N ATOM 980 CA VAL A 61 -7.193 -5.969 3.318 1.00 12.20 C ATOM 981 C VAL A 61 -7.080 -4.732 4.203 1.00 0.00 C ATOM 982 O VAL A 61 -7.891 -3.811 4.108 1.00 64.00 O ATOM 983 CB VAL A 61 -7.833 -7.110 4.133 1.00 74.10 C ATOM 984 CG1 VAL A 61 -9.264 -6.761 4.509 1.00 4.04 C ATOM 985 CG2 VAL A 61 -7.781 -8.415 3.353 1.00 42.40 C ATOM 0 H VAL A 61 -5.536 -7.242 3.152 1.00 62.20 H new ATOM 0 HA VAL A 61 -7.827 -5.741 2.461 1.00 12.20 H new ATOM 0 HB VAL A 61 -7.263 -7.240 5.053 1.00 74.10 H new ATOM 0 HG11 VAL A 61 -9.699 -7.579 5.084 1.00 4.04 H new ATOM 0 HG12 VAL A 61 -9.271 -5.851 5.110 1.00 4.04 H new ATOM 0 HG13 VAL A 61 -9.850 -6.602 3.604 1.00 4.04 H new ATOM 0 HG21 VAL A 61 -8.237 -9.210 3.943 1.00 42.40 H new ATOM 0 HG22 VAL A 61 -8.326 -8.301 2.416 1.00 42.40 H new ATOM 0 HG23 VAL A 61 -6.743 -8.671 3.141 1.00 42.40 H new ATOM 995 N GLN A 62 -6.071 -4.719 5.068 1.00 20.50 N ATOM 996 CA GLN A 62 -5.854 -3.596 5.973 1.00 64.40 C ATOM 997 C GLN A 62 -5.286 -2.392 5.227 1.00 23.20 C ATOM 998 O GLN A 62 -5.537 -1.246 5.597 1.00 3.44 O ATOM 999 CB GLN A 62 -4.907 -4.002 7.104 1.00 54.30 C ATOM 1000 CG GLN A 62 -5.276 -3.400 8.450 1.00 14.30 C ATOM 1001 CD GLN A 62 -6.482 -4.071 9.078 1.00 54.20 C ATOM 1002 OE1 GLN A 62 -6.751 -5.247 8.832 1.00 53.40 O ATOM 1003 NE2 GLN A 62 -7.217 -3.323 9.893 1.00 72.00 N ATOM 0 H GLN A 62 -5.391 -5.473 5.161 1.00 20.50 H new ATOM 0 HA GLN A 62 -6.818 -3.314 6.397 1.00 64.40 H new ATOM 0 HB2 GLN A 62 -4.902 -5.089 7.190 1.00 54.30 H new ATOM 0 HB3 GLN A 62 -3.893 -3.698 6.845 1.00 54.30 H new ATOM 0 HG2 GLN A 62 -4.425 -3.483 9.126 1.00 14.30 H new ATOM 0 HG3 GLN A 62 -5.481 -2.337 8.324 1.00 14.30 H new ATOM 0 HE21 GLN A 62 -6.957 -2.352 10.068 1.00 72.00 H new ATOM 0 HE22 GLN A 62 -8.042 -3.719 10.344 1.00 72.00 H new ATOM 1012 N TYR A 63 -4.517 -2.661 4.176 1.00 31.40 N ATOM 1013 CA TYR A 63 -3.913 -1.599 3.381 1.00 31.10 C ATOM 1014 C TYR A 63 -4.974 -0.826 2.603 1.00 21.30 C ATOM 1015 O TYR A 63 -4.897 0.396 2.476 1.00 71.40 O ATOM 1016 CB TYR A 63 -2.881 -2.182 2.414 1.00 45.30 C ATOM 1017 CG TYR A 63 -1.551 -2.494 3.063 1.00 12.00 C ATOM 1018 CD1 TYR A 63 -0.949 -1.590 3.929 1.00 64.10 C ATOM 1019 CD2 TYR A 63 -0.899 -3.695 2.810 1.00 2.40 C ATOM 1020 CE1 TYR A 63 0.266 -1.872 4.524 1.00 3.34 C ATOM 1021 CE2 TYR A 63 0.315 -3.985 3.402 1.00 4.15 C ATOM 1022 CZ TYR A 63 0.893 -3.071 4.257 1.00 54.20 C ATOM 1023 OH TYR A 63 2.103 -3.356 4.848 1.00 53.30 O ATOM 0 H TYR A 63 -4.298 -3.604 3.856 1.00 31.40 H new ATOM 0 HA TYR A 63 -3.416 -0.909 4.063 1.00 31.10 H new ATOM 0 HB2 TYR A 63 -3.283 -3.094 1.973 1.00 45.30 H new ATOM 0 HB3 TYR A 63 -2.721 -1.477 1.598 1.00 45.30 H new ATOM 0 HD1 TYR A 63 -1.439 -0.651 4.141 1.00 64.10 H new ATOM 0 HD2 TYR A 63 -1.349 -4.413 2.140 1.00 2.40 H new ATOM 0 HE1 TYR A 63 0.722 -1.158 5.194 1.00 3.34 H new ATOM 0 HE2 TYR A 63 0.809 -4.923 3.196 1.00 4.15 H new ATOM 0 HH TYR A 63 2.409 -4.240 4.556 1.00 53.30 H new ATOM 1033 N LEU A 64 -5.963 -1.547 2.085 1.00 72.40 N ATOM 1034 CA LEU A 64 -7.040 -0.928 1.318 1.00 30.50 C ATOM 1035 C LEU A 64 -8.009 -0.187 2.233 1.00 35.30 C ATOM 1036 O LEU A 64 -8.617 0.807 1.834 1.00 43.50 O ATOM 1037 CB LEU A 64 -7.792 -1.989 0.512 1.00 22.20 C ATOM 1038 CG LEU A 64 -7.129 -2.394 -0.805 1.00 13.10 C ATOM 1039 CD1 LEU A 64 -7.380 -3.864 -1.101 1.00 72.00 C ATOM 1040 CD2 LEU A 64 -7.637 -1.524 -1.946 1.00 24.30 C ATOM 0 H LEU A 64 -6.042 -2.559 2.182 1.00 72.40 H new ATOM 0 HA LEU A 64 -6.595 -0.206 0.634 1.00 30.50 H new ATOM 0 HB2 LEU A 64 -7.908 -2.879 1.131 1.00 22.20 H new ATOM 0 HB3 LEU A 64 -8.794 -1.617 0.297 1.00 22.20 H new ATOM 0 HG LEU A 64 -6.054 -2.244 -0.709 1.00 13.10 H new ATOM 0 HD11 LEU A 64 -6.900 -4.133 -2.042 1.00 72.00 H new ATOM 0 HD12 LEU A 64 -6.967 -4.473 -0.297 1.00 72.00 H new ATOM 0 HD13 LEU A 64 -8.453 -4.042 -1.177 1.00 72.00 H new ATOM 0 HD21 LEU A 64 -7.155 -1.826 -2.876 1.00 24.30 H new ATOM 0 HD22 LEU A 64 -8.716 -1.643 -2.042 1.00 24.30 H new ATOM 0 HD23 LEU A 64 -7.404 -0.480 -1.739 1.00 24.30 H new ATOM 1052 N ASP A 65 -8.150 -0.676 3.461 1.00 73.20 N ATOM 1053 CA ASP A 65 -9.049 -0.060 4.430 1.00 73.40 C ATOM 1054 C ASP A 65 -8.589 1.351 4.784 1.00 44.10 C ATOM 1055 O ASP A 65 -9.407 2.238 5.026 1.00 12.00 O ATOM 1056 CB ASP A 65 -9.129 -0.914 5.697 1.00 54.20 C ATOM 1057 CG ASP A 65 -10.520 -0.927 6.299 1.00 52.30 C ATOM 1058 OD1 ASP A 65 -10.870 0.051 6.989 1.00 64.10 O ATOM 1059 OD2 ASP A 65 -11.250 -1.916 6.080 1.00 42.50 O ATOM 0 H ASP A 65 -7.653 -1.497 3.808 1.00 73.20 H new ATOM 0 HA ASP A 65 -10.039 0.004 3.978 1.00 73.40 H new ATOM 0 HB2 ASP A 65 -8.828 -1.935 5.463 1.00 54.20 H new ATOM 0 HB3 ASP A 65 -8.421 -0.534 6.433 1.00 54.20 H new ATOM 1064 N ARG A 66 -7.275 1.551 4.814 1.00 63.30 N ATOM 1065 CA ARG A 66 -6.709 2.855 5.142 1.00 74.20 C ATOM 1066 C ARG A 66 -6.744 3.786 3.934 1.00 23.40 C ATOM 1067 O ARG A 66 -6.884 5.000 4.077 1.00 41.20 O ATOM 1068 CB ARG A 66 -5.270 2.699 5.637 1.00 72.20 C ATOM 1069 CG ARG A 66 -5.171 2.179 7.062 1.00 1.22 C ATOM 1070 CD ARG A 66 -5.328 3.300 8.076 1.00 13.10 C ATOM 1071 NE ARG A 66 -4.078 4.026 8.288 1.00 2.22 N ATOM 1072 CZ ARG A 66 -3.083 3.582 9.053 1.00 11.20 C ATOM 1073 NH1 ARG A 66 -3.189 2.416 9.679 1.00 13.50 N ATOM 1074 NH2 ARG A 66 -1.980 4.304 9.192 1.00 60.20 N ATOM 0 H ARG A 66 -6.583 0.828 4.616 1.00 63.30 H new ATOM 0 HA ARG A 66 -7.314 3.296 5.934 1.00 74.20 H new ATOM 0 HB2 ARG A 66 -4.738 2.018 4.973 1.00 72.20 H new ATOM 0 HB3 ARG A 66 -4.766 3.664 5.575 1.00 72.20 H new ATOM 0 HG2 ARG A 66 -5.940 1.425 7.230 1.00 1.22 H new ATOM 0 HG3 ARG A 66 -4.208 1.689 7.206 1.00 1.22 H new ATOM 0 HD2 ARG A 66 -6.096 3.993 7.734 1.00 13.10 H new ATOM 0 HD3 ARG A 66 -5.672 2.886 9.024 1.00 13.10 H new ATOM 0 HE ARG A 66 -3.961 4.926 7.823 1.00 2.22 H new ATOM 0 HH11 ARG A 66 -4.035 1.856 9.575 1.00 13.50 H new ATOM 0 HH12 ARG A 66 -2.424 2.080 10.264 1.00 13.50 H new ATOM 0 HH21 ARG A 66 -1.893 5.200 8.713 1.00 60.20 H new ATOM 0 HH22 ARG A 66 -1.218 3.963 9.778 1.00 60.20 H new ATOM 1088 N ALA A 67 -6.613 3.209 2.744 1.00 31.50 N ATOM 1089 CA ALA A 67 -6.629 3.989 1.511 1.00 1.35 C ATOM 1090 C ALA A 67 -7.945 4.744 1.352 1.00 13.20 C ATOM 1091 O ALA A 67 -7.980 5.836 0.786 1.00 71.50 O ATOM 1092 CB ALA A 67 -6.388 3.084 0.312 1.00 52.20 C ATOM 0 H ALA A 67 -6.495 2.205 2.607 1.00 31.50 H new ATOM 0 HA ALA A 67 -5.826 4.724 1.566 1.00 1.35 H new ATOM 0 HB1 ALA A 67 -6.402 3.679 -0.601 1.00 52.20 H new ATOM 0 HB2 ALA A 67 -5.418 2.597 0.413 1.00 52.20 H new ATOM 0 HB3 ALA A 67 -7.171 2.327 0.264 1.00 52.20 H new ATOM 1098 N GLU A 68 -9.025 4.152 1.851 1.00 32.50 N ATOM 1099 CA GLU A 68 -10.340 4.767 1.761 1.00 15.50 C ATOM 1100 C GLU A 68 -10.500 5.885 2.787 1.00 75.00 C ATOM 1101 O GLU A 68 -10.990 6.967 2.470 1.00 23.00 O ATOM 1102 CB GLU A 68 -11.430 3.715 1.967 1.00 65.40 C ATOM 1103 CG GLU A 68 -11.450 2.641 0.891 1.00 51.40 C ATOM 1104 CD GLU A 68 -12.730 2.656 0.073 1.00 74.50 C ATOM 1105 OE1 GLU A 68 -13.190 3.759 -0.293 1.00 52.00 O ATOM 1106 OE2 GLU A 68 -13.270 1.565 -0.199 1.00 13.40 O ATOM 0 H GLU A 68 -9.013 3.247 2.322 1.00 32.50 H new ATOM 0 HA GLU A 68 -10.439 5.200 0.766 1.00 15.50 H new ATOM 0 HB2 GLU A 68 -11.288 3.242 2.938 1.00 65.40 H new ATOM 0 HB3 GLU A 68 -12.401 4.210 1.993 1.00 65.40 H new ATOM 0 HG2 GLU A 68 -10.597 2.782 0.227 1.00 51.40 H new ATOM 0 HG3 GLU A 68 -11.333 1.663 1.357 1.00 51.40 H new ATOM 1113 N LYS A 69 -10.070 5.616 4.018 1.00 31.10 N ATOM 1114 CA LYS A 69 -10.170 6.599 5.092 1.00 51.10 C ATOM 1115 C LYS A 69 -9.413 7.874 4.739 1.00 23.10 C ATOM 1116 O LYS A 69 -9.771 8.964 5.184 1.00 64.30 O ATOM 1117 CB LYS A 69 -9.629 6.013 6.397 1.00 32.30 C ATOM 1118 CG LYS A 69 -10.170 6.695 7.642 1.00 75.40 C ATOM 1119 CD LYS A 69 -9.490 6.184 8.901 1.00 13.50 C ATOM 1120 CE LYS A 69 -9.222 7.310 9.886 1.00 25.20 C ATOM 1121 NZ LYS A 69 -8.427 6.847 11.056 1.00 40.30 N ATOM 0 H LYS A 69 -9.651 4.728 4.295 1.00 31.10 H new ATOM 0 HA LYS A 69 -11.222 6.851 5.223 1.00 51.10 H new ATOM 0 HB2 LYS A 69 -9.875 4.952 6.438 1.00 32.30 H new ATOM 0 HB3 LYS A 69 -8.542 6.088 6.396 1.00 32.30 H new ATOM 0 HG2 LYS A 69 -10.023 7.772 7.560 1.00 75.40 H new ATOM 0 HG3 LYS A 69 -11.244 6.524 7.713 1.00 75.40 H new ATOM 0 HD2 LYS A 69 -10.117 5.428 9.373 1.00 13.50 H new ATOM 0 HD3 LYS A 69 -8.550 5.699 8.637 1.00 13.50 H new ATOM 0 HE2 LYS A 69 -8.689 8.115 9.381 1.00 25.20 H new ATOM 0 HE3 LYS A 69 -10.170 7.723 10.232 1.00 25.20 H new ATOM 0 HZ1 LYS A 69 -8.266 7.645 11.704 1.00 40.30 H new ATOM 0 HZ2 LYS A 69 -8.947 6.096 11.554 1.00 40.30 H new ATOM 0 HZ3 LYS A 69 -7.512 6.476 10.729 1.00 40.30 H new ATOM 1135 N LEU A 70 -8.363 7.730 3.937 1.00 34.40 N ATOM 1136 CA LEU A 70 -7.553 8.872 3.525 1.00 22.50 C ATOM 1137 C LEU A 70 -8.299 9.738 2.515 1.00 53.20 C ATOM 1138 O LEU A 70 -8.341 10.961 2.644 1.00 13.10 O ATOM 1139 CB LEU A 70 -6.230 8.394 2.923 1.00 11.20 C ATOM 1140 CG LEU A 70 -5.348 7.573 3.865 1.00 74.10 C ATOM 1141 CD1 LEU A 70 -4.495 6.592 3.077 1.00 62.50 C ATOM 1142 CD2 LEU A 70 -4.471 8.489 4.706 1.00 70.20 C ATOM 0 H LEU A 70 -8.053 6.835 3.559 1.00 34.40 H new ATOM 0 HA LEU A 70 -7.348 9.475 4.410 1.00 22.50 H new ATOM 0 HB2 LEU A 70 -6.447 7.795 2.039 1.00 11.20 H new ATOM 0 HB3 LEU A 70 -5.666 9.264 2.588 1.00 11.20 H new ATOM 0 HG LEU A 70 -5.994 7.005 4.535 1.00 74.10 H new ATOM 0 HD11 LEU A 70 -3.874 6.017 3.764 1.00 62.50 H new ATOM 0 HD12 LEU A 70 -5.141 5.915 2.518 1.00 62.50 H new ATOM 0 HD13 LEU A 70 -3.857 7.140 2.383 1.00 62.50 H new ATOM 0 HD21 LEU A 70 -3.850 7.889 5.371 1.00 70.20 H new ATOM 0 HD22 LEU A 70 -3.833 9.083 4.052 1.00 70.20 H new ATOM 0 HD23 LEU A 70 -5.101 9.152 5.299 1.00 70.20 H new ATOM 1154 N LYS A 71 -8.881 9.096 1.508 1.00 22.40 N ATOM 1155 CA LYS A 71 -9.621 9.809 0.473 1.00 22.10 C ATOM 1156 C LYS A 71 -10.950 10.327 1.009 1.00 71.20 C ATOM 1157 O LYS A 71 -11.420 11.391 0.606 1.00 74.10 O ATOM 1158 CB LYS A 71 -9.865 8.895 -0.730 1.00 1.14 C ATOM 1159 CG LYS A 71 -10.530 7.580 -0.369 1.00 3.44 C ATOM 1160 CD LYS A 71 -11.200 6.949 -1.577 1.00 73.30 C ATOM 1161 CE LYS A 71 -10.320 5.891 -2.218 1.00 13.40 C ATOM 1162 NZ LYS A 71 -11.030 5.143 -3.288 1.00 0.43 N ATOM 0 H LYS A 71 -8.855 8.084 1.386 1.00 22.40 H new ATOM 0 HA LYS A 71 -9.021 10.663 0.158 1.00 22.10 H new ATOM 0 HB2 LYS A 71 -10.487 9.420 -1.454 1.00 1.14 H new ATOM 0 HB3 LYS A 71 -8.912 8.689 -1.218 1.00 1.14 H new ATOM 0 HG2 LYS A 71 -9.787 6.894 0.037 1.00 3.44 H new ATOM 0 HG3 LYS A 71 -11.270 7.747 0.414 1.00 3.44 H new ATOM 0 HD2 LYS A 71 -12.147 6.501 -1.275 1.00 73.30 H new ATOM 0 HD3 LYS A 71 -11.432 7.722 -2.310 1.00 73.30 H new ATOM 0 HE2 LYS A 71 -9.432 6.364 -2.636 1.00 13.40 H new ATOM 0 HE3 LYS A 71 -9.979 5.193 -1.454 1.00 13.40 H new ATOM 0 HZ1 LYS A 71 -10.391 4.432 -3.697 1.00 0.43 H new ATOM 0 HZ2 LYS A 71 -11.864 4.669 -2.886 1.00 0.43 H new ATOM 0 HZ3 LYS A 71 -11.333 5.804 -4.031 1.00 0.43 H new ATOM 1176 N ASP A 72 -11.550 9.566 1.914 1.00 3.11 N ATOM 1177 CA ASP A 72 -12.830 9.945 2.503 1.00 14.20 C ATOM 1178 C ASP A 72 -12.720 11.255 3.280 1.00 74.50 C ATOM 1179 O ASP A 72 -13.690 12.001 3.400 1.00 21.10 O ATOM 1180 CB ASP A 72 -13.340 8.832 3.426 1.00 64.40 C ATOM 1181 CG ASP A 72 -14.510 8.076 2.833 1.00 12.40 C ATOM 1182 OD1 ASP A 72 -14.380 7.590 1.688 1.00 54.50 O ATOM 1183 OD2 ASP A 72 -15.550 7.967 3.511 1.00 13.30 O ATOM 0 H ASP A 72 -11.172 8.683 2.257 1.00 3.11 H new ATOM 0 HA ASP A 72 -13.540 10.092 1.689 1.00 14.20 H new ATOM 0 HB2 ASP A 72 -12.528 8.135 3.632 1.00 64.40 H new ATOM 0 HB3 ASP A 72 -13.638 9.265 4.381 1.00 64.40 H new ATOM 1188 N TYR A 73 -11.530 11.524 3.812 1.00 2.35 N ATOM 1189 CA TYR A 73 -11.300 12.739 4.587 1.00 25.20 C ATOM 1190 C TYR A 73 -11.100 13.952 3.681 1.00 63.40 C ATOM 1191 O TYR A 73 -11.730 14.991 3.878 1.00 15.00 O ATOM 1192 CB TYR A 73 -10.070 12.561 5.490 1.00 21.00 C ATOM 1193 CG TYR A 73 -9.758 13.781 6.326 1.00 73.30 C ATOM 1194 CD1 TYR A 73 -9.074 14.860 5.778 1.00 2.14 C ATOM 1195 CD2 TYR A 73 -10.130 13.854 7.660 1.00 74.10 C ATOM 1196 CE1 TYR A 73 -8.779 15.977 6.537 1.00 22.10 C ATOM 1197 CE2 TYR A 73 -9.846 14.967 8.425 1.00 72.40 C ATOM 1198 CZ TYR A 73 -9.166 16.025 7.859 1.00 12.10 C ATOM 1199 OH TYR A 73 -8.874 17.136 8.618 1.00 62.20 O ATOM 0 H TYR A 73 -10.714 10.919 3.721 1.00 2.35 H new ATOM 0 HA TYR A 73 -12.184 12.915 5.200 1.00 25.20 H new ATOM 0 HB2 TYR A 73 -10.233 11.709 6.150 1.00 21.00 H new ATOM 0 HB3 TYR A 73 -9.205 12.323 4.871 1.00 21.00 H new ATOM 0 HD1 TYR A 73 -8.768 14.825 4.743 1.00 2.14 H new ATOM 0 HD2 TYR A 73 -10.653 13.023 8.109 1.00 74.10 H new ATOM 0 HE1 TYR A 73 -8.248 16.808 6.096 1.00 22.10 H new ATOM 0 HE2 TYR A 73 -10.154 15.009 9.459 1.00 72.40 H new ATOM 0 HH TYR A 73 -9.217 17.010 9.527 1.00 62.20 H new ATOM 1209 N LEU A 74 -10.220 13.821 2.695 1.00 13.40 N ATOM 1210 CA LEU A 74 -9.942 14.917 1.773 1.00 4.12 C ATOM 1211 C LEU A 74 -11.170 15.287 0.953 1.00 13.00 C ATOM 1212 O LEU A 74 -11.470 16.468 0.767 1.00 12.20 O ATOM 1213 CB LEU A 74 -8.784 14.551 0.841 1.00 61.20 C ATOM 1214 CG LEU A 74 -8.951 13.238 0.074 1.00 12.20 C ATOM 1215 CD1 LEU A 74 -9.723 13.466 -1.216 1.00 54.20 C ATOM 1216 CD2 LEU A 74 -7.592 12.619 -0.217 1.00 24.00 C ATOM 0 H LEU A 74 -9.688 12.970 2.513 1.00 13.40 H new ATOM 0 HA LEU A 74 -9.663 15.784 2.371 1.00 4.12 H new ATOM 0 HB2 LEU A 74 -8.650 15.358 0.121 1.00 61.20 H new ATOM 0 HB3 LEU A 74 -7.869 14.494 1.431 1.00 61.20 H new ATOM 0 HG LEU A 74 -9.521 12.546 0.694 1.00 12.20 H new ATOM 0 HD11 LEU A 74 -9.831 12.520 -1.747 1.00 54.20 H new ATOM 0 HD12 LEU A 74 -10.710 13.867 -0.984 1.00 54.20 H new ATOM 0 HD13 LEU A 74 -9.182 14.175 -1.843 1.00 54.20 H new ATOM 0 HD21 LEU A 74 -7.727 11.685 -0.763 1.00 24.00 H new ATOM 0 HD22 LEU A 74 -6.999 13.309 -0.818 1.00 24.00 H new ATOM 0 HD23 LEU A 74 -7.075 12.419 0.721 1.00 24.00 H new ATOM 1228 N ARG A 75 -11.890 14.280 0.463 1.00 42.00 N ATOM 1229 CA ARG A 75 -13.080 14.519 -0.338 1.00 64.20 C ATOM 1230 C ARG A 75 -14.140 15.272 0.465 1.00 13.40 C ATOM 1231 O ARG A 75 -14.910 16.053 -0.087 1.00 42.30 O ATOM 1232 CB ARG A 75 -13.650 13.196 -0.860 1.00 51.00 C ATOM 1233 CG ARG A 75 -14.330 12.346 0.207 1.00 31.40 C ATOM 1234 CD ARG A 75 -15.280 11.335 -0.410 1.00 50.10 C ATOM 1235 NE ARG A 75 -14.610 10.076 -0.730 1.00 72.10 N ATOM 1236 CZ ARG A 75 -15.100 9.171 -1.576 1.00 13.40 C ATOM 1237 NH1 ARG A 75 -16.260 9.382 -2.188 1.00 54.50 N ATOM 1238 NH2 ARG A 75 -14.430 8.051 -1.810 1.00 53.30 N ATOM 0 H ARG A 75 -11.668 13.295 0.608 1.00 42.00 H new ATOM 0 HA ARG A 75 -12.794 15.138 -1.189 1.00 64.20 H new ATOM 0 HB2 ARG A 75 -14.369 13.410 -1.651 1.00 51.00 H new ATOM 0 HB3 ARG A 75 -12.843 12.618 -1.310 1.00 51.00 H new ATOM 0 HG2 ARG A 75 -13.574 11.825 0.795 1.00 31.40 H new ATOM 0 HG3 ARG A 75 -14.879 12.991 0.893 1.00 31.40 H new ATOM 0 HD2 ARG A 75 -16.102 11.143 0.279 1.00 50.10 H new ATOM 0 HD3 ARG A 75 -15.716 11.754 -1.317 1.00 50.10 H new ATOM 0 HE ARG A 75 -13.716 9.879 -0.280 1.00 72.10 H new ATOM 0 HH11 ARG A 75 -16.781 10.241 -2.011 1.00 54.50 H new ATOM 0 HH12 ARG A 75 -16.630 8.685 -2.835 1.00 54.50 H new ATOM 0 HH21 ARG A 75 -13.539 7.882 -1.342 1.00 53.30 H new ATOM 0 HH22 ARG A 75 -14.805 7.358 -2.458 1.00 53.30 H new ATOM 1252 N SER A 76 -14.170 15.029 1.772 1.00 61.40 N ATOM 1253 CA SER A 76 -15.130 15.681 2.652 1.00 31.10 C ATOM 1254 C SER A 76 -14.940 17.195 2.642 1.00 65.10 C ATOM 1255 O SER A 76 -15.880 17.947 2.386 1.00 61.20 O ATOM 1256 CB SER A 76 -14.990 15.147 4.079 1.00 61.20 C ATOM 1257 OG SER A 76 -16.260 14.975 4.682 1.00 11.30 O ATOM 0 H SER A 76 -13.538 14.383 2.245 1.00 61.40 H new ATOM 0 HA SER A 76 -16.131 15.457 2.284 1.00 31.10 H new ATOM 0 HB2 SER A 76 -14.458 14.196 4.065 1.00 61.20 H new ATOM 0 HB3 SER A 76 -14.392 15.838 4.673 1.00 61.20 H new ATOM 0 HG SER A 76 -16.146 14.631 5.593 1.00 11.30 H new