USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 642 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 33 LYS NZ :NH3+ 179:sc= 1.22 (180deg=1.06) USER MOD Set 1.2: A 39 SER OG : rot 35:sc= 0.986 USER MOD Set 2.1: A 34 TYR OH : rot 180:sc= 0.683 USER MOD Set 2.2: A 68 LYS NZ :NH3+ 165:sc= 1.15 (180deg=0.265) USER MOD Set 3.1: A 2 ASN : amide:sc= 0.00207 X(o=-0.03,f=-0.041) USER MOD Set 3.2: A 69 HIS : no HD1:sc= -0.0317 X(o=-0.03,f=-0.063) USER MOD Single : A 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0.0807 K(o=0.081,f=-1.1) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 1.72 (180deg=1.72) USER MOD Single : A 7 SER OG : rot 42:sc= 1.15 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 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+ 176:sc= 1.25 (180deg=1.21) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0052 USER MOD Single : A 44 SER OG : rot 38:sc= 0.146 USER MOD Single : A 48 LYS NZ :NH3+ 145:sc= 0.37 (180deg=-0.272) USER MOD Single : A 51 LYS NZ :NH3+ -136:sc= 0.354 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 165:sc= 0.247 USER MOD Single : A 62 TYR OH : rot -29:sc= 0.435 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -156:sc= 0.846 (180deg=0.218) USER MOD Single : A 73 LYS NZ :NH3+ 164:sc= 1.81 (180deg=1.58) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -10.627 8.502 -2.308 1.00 0.00 N ATOM 2 CA PHE A 1 -10.883 9.934 -2.607 1.00 0.00 C ATOM 3 C PHE A 1 -9.680 10.637 -3.306 1.00 0.00 C ATOM 4 O PHE A 1 -8.526 10.187 -3.249 1.00 0.00 O ATOM 5 CB PHE A 1 -11.327 10.669 -1.307 1.00 0.00 C ATOM 6 CG PHE A 1 -12.796 11.126 -1.353 1.00 0.00 C ATOM 7 CD1 PHE A 1 -13.824 10.264 -0.941 1.00 0.00 C ATOM 8 CD2 PHE A 1 -13.138 12.399 -1.838 1.00 0.00 C ATOM 9 CE1 PHE A 1 -15.161 10.660 -1.021 1.00 0.00 C ATOM 10 CE2 PHE A 1 -14.475 12.793 -1.920 1.00 0.00 C ATOM 11 CZ PHE A 1 -15.484 11.922 -1.514 1.00 0.00 C ATOM 0 H1 PHE A 1 -11.462 8.090 -1.844 1.00 0.00 H new ATOM 0 H2 PHE A 1 -10.435 7.991 -3.193 1.00 0.00 H new ATOM 0 H3 PHE A 1 -9.805 8.421 -1.676 1.00 0.00 H new ATOM 0 HA PHE A 1 -11.696 9.985 -3.331 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -11.184 10.006 -0.453 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -10.686 11.536 -1.148 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -13.579 9.284 -0.558 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -12.360 13.079 -2.150 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -15.944 9.988 -0.701 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -14.727 13.773 -2.298 1.00 0.00 H new ATOM 0 HZ PHE A 1 -16.518 12.226 -1.582 1.00 0.00 H new ATOM 22 N ASN A 2 -9.953 11.799 -3.943 1.00 0.00 N ATOM 23 CA ASN A 2 -8.875 12.655 -4.514 1.00 0.00 C ATOM 24 C ASN A 2 -7.913 13.214 -3.430 1.00 0.00 C ATOM 25 O ASN A 2 -6.723 12.960 -3.553 1.00 0.00 O ATOM 26 CB ASN A 2 -9.444 13.746 -5.449 1.00 0.00 C ATOM 27 CG ASN A 2 -8.355 14.473 -6.252 1.00 0.00 C ATOM 28 OD1 ASN A 2 -7.713 15.409 -5.778 1.00 0.00 O ATOM 29 ND2 ASN A 2 -8.064 14.041 -7.453 1.00 0.00 N ATOM 0 H ASN A 2 -10.895 12.166 -4.076 1.00 0.00 H new ATOM 0 HA ASN A 2 -8.256 12.011 -5.138 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -10.155 13.291 -6.139 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.997 14.474 -4.855 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -7.312 14.480 -7.985 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -8.589 13.266 -7.857 1.00 0.00 H new ATOM 36 N VAL A 3 -8.390 13.909 -2.386 1.00 0.00 N ATOM 37 CA VAL A 3 -7.537 14.202 -1.193 1.00 0.00 C ATOM 38 C VAL A 3 -7.725 13.076 -0.139 1.00 0.00 C ATOM 39 O VAL A 3 -8.770 12.980 0.507 1.00 0.00 O ATOM 40 CB VAL A 3 -7.747 15.672 -0.730 1.00 0.00 C ATOM 41 CG1 VAL A 3 -9.046 15.987 0.018 1.00 0.00 C ATOM 42 CG2 VAL A 3 -6.542 16.160 0.106 1.00 0.00 C ATOM 0 H VAL A 3 -9.339 14.278 -2.330 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.472 14.170 -1.423 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.833 16.217 -1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -9.066 17.044 0.283 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.899 15.757 -0.621 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.099 15.384 0.925 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.710 17.190 0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.429 15.527 0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.636 16.107 -0.497 1.00 0.00 H new ATOM 52 N LYS A 4 -6.728 12.180 -0.019 1.00 0.00 N ATOM 53 CA LYS A 4 -6.782 11.058 0.958 1.00 0.00 C ATOM 54 C LYS A 4 -5.366 10.789 1.534 1.00 0.00 C ATOM 55 O LYS A 4 -4.448 10.390 0.807 1.00 0.00 O ATOM 56 CB LYS A 4 -7.413 9.813 0.283 1.00 0.00 C ATOM 57 CG LYS A 4 -7.598 8.563 1.173 1.00 0.00 C ATOM 58 CD LYS A 4 -8.538 8.774 2.371 1.00 0.00 C ATOM 59 CE LYS A 4 -8.661 7.555 3.305 1.00 0.00 C ATOM 60 NZ LYS A 4 -9.532 6.494 2.726 1.00 0.00 N ATOM 0 H LYS A 4 -5.876 12.204 -0.580 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.418 11.319 1.804 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.388 10.097 -0.112 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.792 9.536 -0.569 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.986 7.749 0.560 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.623 8.247 1.543 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.183 9.626 2.950 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.529 9.033 1.999 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -7.670 7.145 3.498 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.067 7.873 4.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.588 5.692 3.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.485 6.877 2.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.132 6.171 1.822 1.00 0.00 H new ATOM 74 N GLN A 5 -5.219 10.965 2.855 1.00 0.00 N ATOM 75 CA GLN A 5 -3.947 10.694 3.578 1.00 0.00 C ATOM 76 C GLN A 5 -3.523 9.190 3.630 1.00 0.00 C ATOM 77 O GLN A 5 -4.260 8.277 3.244 1.00 0.00 O ATOM 78 CB GLN A 5 -4.074 11.323 4.995 1.00 0.00 C ATOM 79 CG GLN A 5 -3.746 12.830 5.051 1.00 0.00 C ATOM 80 CD GLN A 5 -2.259 13.171 5.021 1.00 0.00 C ATOM 81 OE1 GLN A 5 -1.413 12.434 4.519 1.00 0.00 O ATOM 82 NE2 GLN A 5 -1.901 14.327 5.521 1.00 0.00 N ATOM 0 H GLN A 5 -5.970 11.298 3.460 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.133 11.153 3.017 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.090 11.170 5.358 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.409 10.792 5.676 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.233 13.323 4.210 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.180 13.247 5.960 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.601 14.941 5.938 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.923 14.614 5.493 1.00 0.00 H new ATOM 91 N LYS A 6 -2.266 8.975 4.040 1.00 0.00 N ATOM 92 CA LYS A 6 -1.531 7.710 3.798 1.00 0.00 C ATOM 93 C LYS A 6 -2.012 6.478 4.621 1.00 0.00 C ATOM 94 O LYS A 6 -2.381 6.587 5.793 1.00 0.00 O ATOM 95 CB LYS A 6 -0.019 8.003 3.985 1.00 0.00 C ATOM 96 CG LYS A 6 0.832 7.973 2.709 1.00 0.00 C ATOM 97 CD LYS A 6 0.721 9.142 1.720 1.00 0.00 C ATOM 98 CE LYS A 6 -0.582 9.213 0.904 1.00 0.00 C ATOM 99 NZ LYS A 6 -0.429 10.101 -0.272 1.00 0.00 N ATOM 0 H LYS A 6 -1.722 9.670 4.551 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.745 7.394 2.777 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.087 8.985 4.446 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.388 7.276 4.687 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.876 7.893 3.010 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.585 7.059 2.169 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.830 10.074 2.275 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.559 9.085 1.025 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.863 8.213 0.574 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.391 9.579 1.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.322 10.130 -0.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.184 11.060 0.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.327 9.737 -0.886 1.00 0.00 H new ATOM 113 N SER A 7 -1.986 5.306 3.971 1.00 0.00 N ATOM 114 CA SER A 7 -2.503 4.042 4.548 1.00 0.00 C ATOM 115 C SER A 7 -1.444 2.912 4.396 1.00 0.00 C ATOM 116 O SER A 7 -1.452 2.229 3.367 1.00 0.00 O ATOM 117 CB SER A 7 -3.831 3.673 3.811 1.00 0.00 C ATOM 118 OG SER A 7 -3.611 3.352 2.429 1.00 0.00 O ATOM 0 H SER A 7 -1.607 5.200 3.030 1.00 0.00 H new ATOM 0 HA SER A 7 -2.703 4.164 5.613 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.298 2.824 4.310 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.528 4.508 3.882 1.00 0.00 H new ATOM 0 HG SER A 7 -2.806 2.800 2.346 1.00 0.00 H new ATOM 124 N GLU A 8 -0.554 2.728 5.384 1.00 0.00 N ATOM 125 CA GLU A 8 0.514 1.687 5.318 1.00 0.00 C ATOM 126 C GLU A 8 0.105 0.455 6.187 1.00 0.00 C ATOM 127 O GLU A 8 0.174 0.506 7.418 1.00 0.00 O ATOM 128 CB GLU A 8 1.910 2.267 5.699 1.00 0.00 C ATOM 129 CG GLU A 8 2.408 3.364 4.727 1.00 0.00 C ATOM 130 CD GLU A 8 3.914 3.604 4.687 1.00 0.00 C ATOM 131 OE1 GLU A 8 4.454 4.324 5.550 1.00 0.00 O ATOM 132 OE2 GLU A 8 4.571 3.133 3.734 1.00 0.00 O ATOM 0 H GLU A 8 -0.543 3.280 6.242 1.00 0.00 H new ATOM 0 HA GLU A 8 0.614 1.345 4.288 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.860 2.680 6.706 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.638 1.456 5.723 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.077 3.105 3.721 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.920 4.302 4.992 1.00 0.00 H new ATOM 139 N ILE A 9 -0.368 -0.630 5.545 1.00 0.00 N ATOM 140 CA ILE A 9 -0.959 -1.804 6.258 1.00 0.00 C ATOM 141 C ILE A 9 -0.026 -3.053 6.083 1.00 0.00 C ATOM 142 O ILE A 9 0.544 -3.317 5.017 1.00 0.00 O ATOM 143 CB ILE A 9 -2.418 -2.079 5.762 1.00 0.00 C ATOM 144 CG1 ILE A 9 -3.401 -0.885 5.923 1.00 0.00 C ATOM 145 CG2 ILE A 9 -3.065 -3.353 6.356 1.00 0.00 C ATOM 146 CD1 ILE A 9 -3.619 -0.362 7.343 1.00 0.00 C ATOM 0 H ILE A 9 -0.357 -0.728 4.530 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.027 -1.584 7.323 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.261 -2.239 4.695 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.039 -0.061 5.309 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.368 -1.183 5.518 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.074 -3.467 5.960 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.468 -4.224 6.086 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.109 -3.266 7.442 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.324 0.469 7.320 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.019 -1.161 7.967 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.669 -0.021 7.755 1.00 0.00 H new ATOM 158 N THR A 10 0.057 -3.836 7.165 1.00 0.00 N ATOM 159 CA THR A 10 0.889 -5.065 7.249 1.00 0.00 C ATOM 160 C THR A 10 0.337 -6.282 6.439 1.00 0.00 C ATOM 161 O THR A 10 -0.836 -6.349 6.059 1.00 0.00 O ATOM 162 CB THR A 10 1.045 -5.321 8.780 1.00 0.00 C ATOM 163 OG1 THR A 10 1.715 -4.215 9.387 1.00 0.00 O ATOM 164 CG2 THR A 10 1.854 -6.530 9.215 1.00 0.00 C ATOM 0 H THR A 10 -0.455 -3.640 8.025 1.00 0.00 H new ATOM 0 HA THR A 10 1.856 -4.927 6.765 1.00 0.00 H new ATOM 0 HB THR A 10 0.012 -5.484 9.089 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.810 -4.378 10.349 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.876 -6.580 10.304 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.395 -7.436 8.819 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.872 -6.443 8.835 1.00 0.00 H new ATOM 172 N ALA A 11 1.238 -7.235 6.162 1.00 0.00 N ATOM 173 CA ALA A 11 0.995 -8.358 5.241 1.00 0.00 C ATOM 174 C ALA A 11 -0.085 -9.393 5.661 1.00 0.00 C ATOM 175 O ALA A 11 0.006 -10.048 6.702 1.00 0.00 O ATOM 176 CB ALA A 11 2.376 -9.006 5.020 1.00 0.00 C ATOM 0 H ALA A 11 2.170 -7.249 6.577 1.00 0.00 H new ATOM 0 HA ALA A 11 0.551 -7.964 4.327 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.276 -9.854 4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.057 -8.273 4.587 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.773 -9.350 5.975 1.00 0.00 H new ATOM 182 N LEU A 12 -1.089 -9.528 4.789 1.00 0.00 N ATOM 183 CA LEU A 12 -2.177 -10.518 4.913 1.00 0.00 C ATOM 184 C LEU A 12 -1.837 -11.812 4.095 1.00 0.00 C ATOM 185 O LEU A 12 -1.274 -11.765 2.995 1.00 0.00 O ATOM 186 CB LEU A 12 -3.483 -9.845 4.378 1.00 0.00 C ATOM 187 CG LEU A 12 -4.733 -9.882 5.283 1.00 0.00 C ATOM 188 CD1 LEU A 12 -5.226 -11.294 5.594 1.00 0.00 C ATOM 189 CD2 LEU A 12 -4.548 -9.071 6.569 1.00 0.00 C ATOM 0 H LEU A 12 -1.175 -8.943 3.958 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.307 -10.820 5.952 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.257 -8.801 4.161 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.741 -10.319 3.431 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.516 -9.404 4.694 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.106 -11.239 6.234 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.484 -11.802 4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.440 -11.850 6.105 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.456 -9.130 7.170 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.710 -9.475 7.137 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.347 -8.030 6.317 1.00 0.00 H new ATOM 201 N VAL A 13 -2.257 -12.952 4.640 1.00 0.00 N ATOM 202 CA VAL A 13 -2.256 -14.268 3.946 1.00 0.00 C ATOM 203 C VAL A 13 -3.090 -14.304 2.618 1.00 0.00 C ATOM 204 O VAL A 13 -4.138 -13.661 2.511 1.00 0.00 O ATOM 205 CB VAL A 13 -2.759 -15.402 4.916 1.00 0.00 C ATOM 206 CG1 VAL A 13 -1.724 -15.745 5.999 1.00 0.00 C ATOM 207 CG2 VAL A 13 -4.130 -15.141 5.577 1.00 0.00 C ATOM 0 H VAL A 13 -2.617 -13.003 5.593 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.219 -14.440 3.659 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.894 -16.257 4.253 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.118 -16.532 6.642 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.804 -16.089 5.527 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.515 -14.858 6.597 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.387 -15.979 6.225 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.081 -14.227 6.168 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.892 -15.033 4.805 1.00 0.00 H new ATOM 217 N LYS A 14 -2.621 -15.081 1.628 1.00 0.00 N ATOM 218 CA LYS A 14 -3.272 -15.134 0.288 1.00 0.00 C ATOM 219 C LYS A 14 -4.600 -15.950 0.270 1.00 0.00 C ATOM 220 O LYS A 14 -4.792 -16.957 0.967 1.00 0.00 O ATOM 221 CB LYS A 14 -2.189 -15.596 -0.723 1.00 0.00 C ATOM 222 CG LYS A 14 -2.582 -15.622 -2.219 1.00 0.00 C ATOM 223 CD LYS A 14 -3.134 -16.981 -2.684 1.00 0.00 C ATOM 224 CE LYS A 14 -3.867 -16.948 -4.038 1.00 0.00 C ATOM 225 NZ LYS A 14 -2.937 -16.872 -5.198 1.00 0.00 N ATOM 0 H LYS A 14 -1.801 -15.680 1.719 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.627 -14.147 -0.008 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.324 -14.943 -0.613 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.869 -16.599 -0.440 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.331 -14.852 -2.403 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.709 -15.368 -2.820 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.309 -17.690 -2.750 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.819 -17.359 -1.925 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.486 -17.840 -4.132 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.539 -16.090 -4.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.485 -16.853 -6.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.364 -16.007 -5.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.312 -17.703 -5.197 1.00 0.00 H new ATOM 239 N GLU A 15 -5.495 -15.473 -0.596 1.00 0.00 N ATOM 240 CA GLU A 15 -6.885 -15.947 -0.724 1.00 0.00 C ATOM 241 C GLU A 15 -6.965 -17.269 -1.555 1.00 0.00 C ATOM 242 O GLU A 15 -6.663 -17.301 -2.752 1.00 0.00 O ATOM 243 CB GLU A 15 -7.690 -14.799 -1.405 1.00 0.00 C ATOM 244 CG GLU A 15 -7.817 -13.475 -0.619 1.00 0.00 C ATOM 245 CD GLU A 15 -6.640 -12.500 -0.586 1.00 0.00 C ATOM 246 OE1 GLU A 15 -5.554 -12.772 -1.148 1.00 0.00 O ATOM 247 OE2 GLU A 15 -6.810 -11.431 0.034 1.00 0.00 O ATOM 0 H GLU A 15 -5.272 -14.723 -1.250 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.302 -16.183 0.255 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.223 -14.580 -2.365 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.694 -15.167 -1.615 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.675 -12.937 -1.023 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.058 -13.730 0.413 1.00 0.00 H new ATOM 254 N VAL A 16 -7.327 -18.361 -0.876 1.00 0.00 N ATOM 255 CA VAL A 16 -7.389 -19.731 -1.472 1.00 0.00 C ATOM 256 C VAL A 16 -8.818 -20.299 -1.168 1.00 0.00 C ATOM 257 O VAL A 16 -9.302 -20.191 -0.036 1.00 0.00 O ATOM 258 CB VAL A 16 -6.258 -20.652 -0.884 1.00 0.00 C ATOM 259 CG1 VAL A 16 -6.276 -22.076 -1.487 1.00 0.00 C ATOM 260 CG2 VAL A 16 -4.829 -20.108 -1.105 1.00 0.00 C ATOM 0 H VAL A 16 -7.590 -18.337 0.109 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.221 -19.696 -2.548 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.486 -20.672 0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.475 -22.668 -1.045 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.235 -22.549 -1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.131 -22.016 -2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.106 -20.799 -0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.639 -20.007 -2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.732 -19.134 -0.626 1.00 0.00 H new ATOM 270 N THR A 17 -9.478 -20.910 -2.170 1.00 0.00 N ATOM 271 CA THR A 17 -10.830 -21.528 -1.974 1.00 0.00 C ATOM 272 C THR A 17 -10.805 -22.832 -1.107 1.00 0.00 C ATOM 273 O THR A 17 -11.516 -22.814 -0.098 1.00 0.00 O ATOM 274 CB THR A 17 -11.565 -21.669 -3.336 1.00 0.00 C ATOM 275 OG1 THR A 17 -11.551 -20.422 -4.031 1.00 0.00 O ATOM 276 CG2 THR A 17 -13.037 -22.046 -3.213 1.00 0.00 C ATOM 0 H THR A 17 -9.113 -20.996 -3.119 1.00 0.00 H new ATOM 0 HA THR A 17 -11.425 -20.845 -1.368 1.00 0.00 H new ATOM 0 HB THR A 17 -11.030 -22.463 -3.857 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.015 -20.520 -4.889 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.477 -22.124 -4.207 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.126 -23.004 -2.700 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.562 -21.280 -2.643 1.00 0.00 H new ATOM 284 N PRO A 18 -10.037 -23.934 -1.366 1.00 0.00 N ATOM 285 CA PRO A 18 -9.847 -25.021 -0.345 1.00 0.00 C ATOM 286 C PRO A 18 -9.002 -24.600 0.904 1.00 0.00 C ATOM 287 O PRO A 18 -8.290 -23.588 0.831 1.00 0.00 O ATOM 288 CB PRO A 18 -9.193 -26.140 -1.195 1.00 0.00 C ATOM 289 CG PRO A 18 -8.397 -25.392 -2.287 1.00 0.00 C ATOM 290 CD PRO A 18 -9.268 -24.163 -2.606 1.00 0.00 C ATOM 0 HA PRO A 18 -10.779 -25.322 0.134 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.539 -26.767 -0.588 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.946 -26.795 -1.633 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.409 -25.100 -1.931 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.247 -26.015 -3.169 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.657 -23.297 -2.862 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.926 -24.350 -3.454 1.00 0.00 H new ATOM 298 N PRO A 19 -9.034 -25.304 2.071 1.00 0.00 N ATOM 299 CA PRO A 19 -8.425 -24.780 3.344 1.00 0.00 C ATOM 300 C PRO A 19 -6.876 -24.815 3.391 1.00 0.00 C ATOM 301 O PRO A 19 -6.254 -25.766 3.875 1.00 0.00 O ATOM 302 CB PRO A 19 -9.123 -25.650 4.425 1.00 0.00 C ATOM 303 CG PRO A 19 -9.453 -26.974 3.701 1.00 0.00 C ATOM 304 CD PRO A 19 -9.859 -26.513 2.291 1.00 0.00 C ATOM 0 HA PRO A 19 -8.592 -23.712 3.481 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.470 -25.818 5.282 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.025 -25.168 4.801 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.593 -27.643 3.674 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.261 -27.513 4.196 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.654 -27.280 1.544 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.924 -26.288 2.234 1.00 0.00 H new ATOM 312 N ARG A 20 -6.266 -23.736 2.876 1.00 0.00 N ATOM 313 CA ARG A 20 -4.788 -23.630 2.751 1.00 0.00 C ATOM 314 C ARG A 20 -4.347 -22.139 2.888 1.00 0.00 C ATOM 315 O ARG A 20 -4.952 -21.236 2.295 1.00 0.00 O ATOM 316 CB ARG A 20 -4.336 -24.248 1.396 1.00 0.00 C ATOM 317 CG ARG A 20 -3.110 -25.178 1.539 1.00 0.00 C ATOM 318 CD ARG A 20 -2.770 -25.851 0.198 1.00 0.00 C ATOM 319 NE ARG A 20 -1.655 -26.812 0.387 1.00 0.00 N ATOM 320 CZ ARG A 20 -1.137 -27.579 -0.571 1.00 0.00 C ATOM 321 NH1 ARG A 20 -1.541 -27.561 -1.817 1.00 0.00 N ATOM 322 NH2 ARG A 20 -0.175 -28.394 -0.253 1.00 0.00 N ATOM 0 H ARG A 20 -6.769 -22.916 2.536 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.305 -24.189 3.553 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.164 -24.810 0.965 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.098 -23.446 0.698 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.252 -24.604 1.890 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.313 -25.940 2.291 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.646 -26.369 -0.192 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.491 -25.097 -0.538 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.255 -26.891 1.322 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.294 -26.934 -2.100 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.103 -28.174 -2.504 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.163 -28.433 0.709 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.242 -28.994 -0.965 1.00 0.00 H new ATOM 336 N LYS A 21 -3.299 -21.878 3.677 1.00 0.00 N ATOM 337 CA LYS A 21 -2.848 -20.494 3.984 1.00 0.00 C ATOM 338 C LYS A 21 -1.359 -20.318 3.582 1.00 0.00 C ATOM 339 O LYS A 21 -0.451 -20.766 4.285 1.00 0.00 O ATOM 340 CB LYS A 21 -3.089 -20.194 5.485 1.00 0.00 C ATOM 341 CG LYS A 21 -4.571 -20.026 5.885 1.00 0.00 C ATOM 342 CD LYS A 21 -5.201 -18.688 5.464 1.00 0.00 C ATOM 343 CE LYS A 21 -6.492 -18.776 4.628 1.00 0.00 C ATOM 344 NZ LYS A 21 -6.238 -18.915 3.159 1.00 0.00 N ATOM 0 H LYS A 21 -2.737 -22.604 4.122 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.426 -19.775 3.403 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.658 -21.002 6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.551 -19.284 5.749 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.147 -20.839 5.443 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.655 -20.128 6.967 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.415 -18.112 6.364 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.462 -18.126 4.894 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.081 -19.627 4.970 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.092 -17.883 4.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.142 -19.037 2.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.761 -18.061 2.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.634 -19.744 2.988 1.00 0.00 H new ATOM 358 N ALA A 22 -1.126 -19.648 2.444 1.00 0.00 N ATOM 359 CA ALA A 22 0.241 -19.343 1.966 1.00 0.00 C ATOM 360 C ALA A 22 0.831 -18.045 2.614 1.00 0.00 C ATOM 361 O ALA A 22 0.119 -17.027 2.632 1.00 0.00 O ATOM 362 CB ALA A 22 0.159 -19.206 0.438 1.00 0.00 C ATOM 0 H ALA A 22 -1.866 -19.304 1.832 1.00 0.00 H new ATOM 0 HA ALA A 22 0.918 -20.146 2.257 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.148 -18.980 0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.201 -20.141 0.008 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.528 -18.400 0.181 1.00 0.00 H new ATOM 368 N PRO A 23 2.099 -18.001 3.117 1.00 0.00 N ATOM 369 CA PRO A 23 2.666 -16.777 3.785 1.00 0.00 C ATOM 370 C PRO A 23 3.129 -15.664 2.802 1.00 0.00 C ATOM 371 O PRO A 23 4.320 -15.401 2.598 1.00 0.00 O ATOM 372 CB PRO A 23 3.806 -17.396 4.640 1.00 0.00 C ATOM 373 CG PRO A 23 4.301 -18.597 3.804 1.00 0.00 C ATOM 374 CD PRO A 23 3.000 -19.173 3.215 1.00 0.00 C ATOM 0 HA PRO A 23 1.934 -16.223 4.372 1.00 0.00 H new ATOM 0 HB2 PRO A 23 4.606 -16.677 4.816 1.00 0.00 H new ATOM 0 HB3 PRO A 23 3.443 -17.714 5.617 1.00 0.00 H new ATOM 0 HG2 PRO A 23 4.994 -18.286 3.022 1.00 0.00 H new ATOM 0 HG3 PRO A 23 4.823 -19.329 4.420 1.00 0.00 H new ATOM 0 HD2 PRO A 23 3.171 -19.627 2.239 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.580 -19.947 3.858 1.00 0.00 H new ATOM 382 N SER A 24 2.134 -15.003 2.205 1.00 0.00 N ATOM 383 CA SER A 24 2.342 -14.010 1.131 1.00 0.00 C ATOM 384 C SER A 24 2.806 -12.629 1.649 1.00 0.00 C ATOM 385 O SER A 24 2.321 -12.104 2.658 1.00 0.00 O ATOM 386 CB SER A 24 0.992 -13.914 0.379 1.00 0.00 C ATOM 387 OG SER A 24 1.072 -13.075 -0.770 1.00 0.00 O ATOM 0 H SER A 24 1.153 -15.138 2.450 1.00 0.00 H new ATOM 0 HA SER A 24 3.152 -14.332 0.476 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.675 -14.912 0.076 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.229 -13.529 1.055 1.00 0.00 H new ATOM 0 HG SER A 24 0.199 -13.045 -1.214 1.00 0.00 H new ATOM 393 N LYS A 25 3.747 -12.026 0.911 1.00 0.00 N ATOM 394 CA LYS A 25 4.229 -10.657 1.203 1.00 0.00 C ATOM 395 C LYS A 25 3.252 -9.615 0.577 1.00 0.00 C ATOM 396 O LYS A 25 3.422 -9.162 -0.558 1.00 0.00 O ATOM 397 CB LYS A 25 5.687 -10.477 0.713 1.00 0.00 C ATOM 398 CG LYS A 25 6.776 -11.025 1.660 1.00 0.00 C ATOM 399 CD LYS A 25 6.953 -12.551 1.671 1.00 0.00 C ATOM 400 CE LYS A 25 6.973 -13.207 3.065 1.00 0.00 C ATOM 401 NZ LYS A 25 8.249 -12.936 3.792 1.00 0.00 N ATOM 0 H LYS A 25 4.195 -12.461 0.104 1.00 0.00 H new ATOM 0 HA LYS A 25 4.241 -10.492 2.280 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.790 -10.968 -0.255 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.870 -9.414 0.553 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.729 -10.571 1.388 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.546 -10.699 2.674 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.145 -12.997 1.090 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.885 -12.795 1.161 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.134 -12.834 3.653 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.836 -14.283 2.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.221 -13.395 4.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.048 -13.314 3.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.368 -11.910 3.914 1.00 0.00 H new ATOM 415 N ALA A 26 2.228 -9.255 1.361 1.00 0.00 N ATOM 416 CA ALA A 26 1.259 -8.214 0.994 1.00 0.00 C ATOM 417 C ALA A 26 1.656 -6.852 1.600 1.00 0.00 C ATOM 418 O ALA A 26 2.012 -6.733 2.774 1.00 0.00 O ATOM 419 CB ALA A 26 -0.128 -8.665 1.452 1.00 0.00 C ATOM 0 H ALA A 26 2.047 -9.679 2.271 1.00 0.00 H new ATOM 0 HA ALA A 26 1.248 -8.075 -0.087 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.863 -7.905 1.189 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.385 -9.604 0.962 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.126 -8.808 2.533 1.00 0.00 H new ATOM 425 N LYS A 27 1.619 -5.826 0.764 1.00 0.00 N ATOM 426 CA LYS A 27 1.946 -4.446 1.185 1.00 0.00 C ATOM 427 C LYS A 27 0.855 -3.508 0.610 1.00 0.00 C ATOM 428 O LYS A 27 0.640 -3.458 -0.608 1.00 0.00 O ATOM 429 CB LYS A 27 3.372 -4.095 0.711 1.00 0.00 C ATOM 430 CG LYS A 27 4.472 -4.332 1.766 1.00 0.00 C ATOM 431 CD LYS A 27 5.074 -5.745 1.777 1.00 0.00 C ATOM 432 CE LYS A 27 5.263 -6.351 3.180 1.00 0.00 C ATOM 433 NZ LYS A 27 6.290 -5.606 3.966 1.00 0.00 N ATOM 0 H LYS A 27 1.365 -5.910 -0.220 1.00 0.00 H new ATOM 0 HA LYS A 27 1.947 -4.333 2.269 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.603 -4.686 -0.175 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.394 -3.048 0.410 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.275 -3.614 1.598 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.058 -4.123 2.752 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.430 -6.404 1.195 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.041 -5.718 1.274 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.313 -6.336 3.715 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.561 -7.396 3.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.391 -6.041 4.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.202 -5.642 3.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.993 -4.615 4.074 1.00 0.00 H new ATOM 447 N ARG A 28 0.154 -2.800 1.506 1.00 0.00 N ATOM 448 CA ARG A 28 -0.880 -1.813 1.115 1.00 0.00 C ATOM 449 C ARG A 28 -0.287 -0.429 1.493 1.00 0.00 C ATOM 450 O ARG A 28 -0.162 -0.145 2.684 1.00 0.00 O ATOM 451 CB ARG A 28 -2.263 -2.019 1.806 1.00 0.00 C ATOM 452 CG ARG A 28 -2.700 -3.474 2.036 1.00 0.00 C ATOM 453 CD ARG A 28 -4.156 -3.616 2.503 1.00 0.00 C ATOM 454 NE ARG A 28 -4.436 -5.071 2.620 1.00 0.00 N ATOM 455 CZ ARG A 28 -5.631 -5.646 2.576 1.00 0.00 C ATOM 456 NH1 ARG A 28 -6.757 -4.978 2.530 1.00 0.00 N ATOM 457 NH2 ARG A 28 -5.696 -6.942 2.578 1.00 0.00 N ATOM 0 H ARG A 28 0.280 -2.888 2.514 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.096 -1.918 0.052 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.242 -1.512 2.770 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.024 -1.525 1.202 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.569 -4.034 1.110 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.044 -3.928 2.779 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.304 -3.117 3.461 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.836 -3.149 1.791 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.632 -5.687 2.746 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.745 -3.958 2.527 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.646 -5.478 2.498 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.840 -7.496 2.613 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.603 -7.407 2.545 1.00 0.00 H new ATOM 471 N GLU A 29 0.109 0.373 0.499 1.00 0.00 N ATOM 472 CA GLU A 29 0.669 1.724 0.757 1.00 0.00 C ATOM 473 C GLU A 29 0.099 2.731 -0.299 1.00 0.00 C ATOM 474 O GLU A 29 -0.093 2.395 -1.477 1.00 0.00 O ATOM 475 CB GLU A 29 2.214 1.828 0.743 1.00 0.00 C ATOM 476 CG GLU A 29 3.001 0.998 1.761 1.00 0.00 C ATOM 477 CD GLU A 29 3.378 -0.410 1.384 1.00 0.00 C ATOM 478 OE1 GLU A 29 3.913 -0.616 0.272 1.00 0.00 O ATOM 479 OE2 GLU A 29 3.174 -1.325 2.207 1.00 0.00 O ATOM 0 H GLU A 29 0.057 0.122 -0.488 1.00 0.00 H new ATOM 0 HA GLU A 29 0.364 1.962 1.776 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.558 1.549 -0.253 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.479 2.875 0.890 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.918 1.538 1.995 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.415 0.953 2.679 1.00 0.00 H new ATOM 486 N ALA A 30 -0.134 3.965 0.152 1.00 0.00 N ATOM 487 CA ALA A 30 -0.611 5.066 -0.707 1.00 0.00 C ATOM 488 C ALA A 30 0.537 6.042 -1.110 1.00 0.00 C ATOM 489 O ALA A 30 0.977 6.792 -0.240 1.00 0.00 O ATOM 490 CB ALA A 30 -1.712 5.727 0.138 1.00 0.00 C ATOM 0 H ALA A 30 0.001 4.236 1.126 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.989 4.724 -1.670 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.138 6.566 -0.412 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.494 4.998 0.351 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.286 6.086 1.075 1.00 0.00 H new ATOM 496 N PRO A 31 1.039 6.122 -2.375 1.00 0.00 N ATOM 497 CA PRO A 31 2.156 7.069 -2.725 1.00 0.00 C ATOM 498 C PRO A 31 1.677 8.504 -3.063 1.00 0.00 C ATOM 499 O PRO A 31 1.498 9.311 -2.142 1.00 0.00 O ATOM 500 CB PRO A 31 2.912 6.257 -3.803 1.00 0.00 C ATOM 501 CG PRO A 31 1.813 5.456 -4.532 1.00 0.00 C ATOM 502 CD PRO A 31 0.849 5.067 -3.398 1.00 0.00 C ATOM 0 HA PRO A 31 2.827 7.341 -1.910 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.446 6.913 -4.491 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.652 5.595 -3.354 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.316 6.056 -5.294 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.220 4.578 -5.033 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.183 5.034 -3.748 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.082 4.080 -2.999 1.00 0.00 H new ATOM 510 N ILE A 32 1.493 8.838 -4.349 1.00 0.00 N ATOM 511 CA ILE A 32 1.253 10.229 -4.812 1.00 0.00 C ATOM 512 C ILE A 32 0.003 10.301 -5.743 1.00 0.00 C ATOM 513 O ILE A 32 -0.084 9.597 -6.754 1.00 0.00 O ATOM 514 CB ILE A 32 2.491 10.897 -5.541 1.00 0.00 C ATOM 515 CG1 ILE A 32 3.141 10.050 -6.653 1.00 0.00 C ATOM 516 CG2 ILE A 32 3.501 11.375 -4.488 1.00 0.00 C ATOM 517 CD1 ILE A 32 4.373 10.663 -7.316 1.00 0.00 C ATOM 0 H ILE A 32 1.505 8.155 -5.106 1.00 0.00 H new ATOM 0 HA ILE A 32 1.080 10.802 -3.901 1.00 0.00 H new ATOM 0 HB ILE A 32 2.104 11.754 -6.092 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.420 9.084 -6.233 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.394 9.859 -7.423 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.355 11.835 -4.985 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.026 12.105 -3.833 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.841 10.524 -3.897 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.749 9.985 -8.082 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.104 11.615 -7.774 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.146 10.827 -6.565 1.00 0.00 H new ATOM 529 N LYS A 33 -0.903 11.235 -5.436 1.00 0.00 N ATOM 530 CA LYS A 33 -2.058 11.564 -6.310 1.00 0.00 C ATOM 531 C LYS A 33 -1.761 12.303 -7.650 1.00 0.00 C ATOM 532 O LYS A 33 -2.527 12.151 -8.602 1.00 0.00 O ATOM 533 CB LYS A 33 -3.051 12.379 -5.444 1.00 0.00 C ATOM 534 CG LYS A 33 -4.514 12.343 -5.913 1.00 0.00 C ATOM 535 CD LYS A 33 -5.187 10.969 -5.918 1.00 0.00 C ATOM 536 CE LYS A 33 -4.969 10.012 -4.730 1.00 0.00 C ATOM 537 NZ LYS A 33 -5.293 10.541 -3.373 1.00 0.00 N ATOM 0 H LYS A 33 -0.866 11.788 -4.580 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.458 10.613 -6.662 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.005 12.007 -4.421 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.720 13.417 -5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.095 13.007 -5.274 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.561 12.751 -6.923 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.261 11.132 -6.013 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.862 10.450 -6.819 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.570 9.118 -4.899 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.925 9.699 -4.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.122 9.801 -2.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.691 11.364 -3.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.292 10.827 -3.341 1.00 0.00 H new ATOM 551 N TYR A 34 -0.672 13.084 -7.713 1.00 0.00 N ATOM 552 CA TYR A 34 -0.216 13.730 -8.978 1.00 0.00 C ATOM 553 C TYR A 34 0.210 12.752 -10.128 1.00 0.00 C ATOM 554 O TYR A 34 -0.079 13.033 -11.291 1.00 0.00 O ATOM 555 CB TYR A 34 0.899 14.723 -8.574 1.00 0.00 C ATOM 556 CG TYR A 34 1.316 15.734 -9.651 1.00 0.00 C ATOM 557 CD1 TYR A 34 0.460 16.785 -10.022 1.00 0.00 C ATOM 558 CD2 TYR A 34 2.582 15.655 -10.250 1.00 0.00 C ATOM 559 CE1 TYR A 34 0.865 17.729 -10.967 1.00 0.00 C ATOM 560 CE2 TYR A 34 2.987 16.606 -11.191 1.00 0.00 C ATOM 561 CZ TYR A 34 2.128 17.644 -11.545 1.00 0.00 C ATOM 562 OH TYR A 34 2.544 18.606 -12.415 1.00 0.00 O ATOM 0 H TYR A 34 -0.082 13.291 -6.907 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.061 14.240 -9.441 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.567 15.274 -7.694 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.779 14.151 -8.279 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.519 16.863 -9.572 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.251 14.851 -9.981 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.196 18.528 -11.251 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.965 16.536 -11.643 1.00 0.00 H new ATOM 0 HH TYR A 34 3.449 18.397 -12.726 1.00 0.00 H new ATOM 572 N TRP A 35 0.868 11.630 -9.798 1.00 0.00 N ATOM 573 CA TRP A 35 1.177 10.545 -10.773 1.00 0.00 C ATOM 574 C TRP A 35 0.060 9.449 -10.848 1.00 0.00 C ATOM 575 O TRP A 35 -0.316 9.070 -11.958 1.00 0.00 O ATOM 576 CB TRP A 35 2.556 9.963 -10.387 1.00 0.00 C ATOM 577 CG TRP A 35 3.484 9.510 -11.557 1.00 0.00 C ATOM 578 CD1 TRP A 35 4.686 10.171 -11.924 1.00 0.00 C ATOM 579 CD2 TRP A 35 3.457 8.358 -12.364 1.00 0.00 C ATOM 580 NE1 TRP A 35 5.402 9.476 -12.912 1.00 0.00 N ATOM 581 CE2 TRP A 35 4.633 8.361 -13.168 1.00 0.00 C ATOM 582 CE3 TRP A 35 2.536 7.271 -12.461 1.00 0.00 C ATOM 583 CZ2 TRP A 35 4.895 7.276 -14.054 1.00 0.00 C ATOM 584 CZ3 TRP A 35 2.813 6.227 -13.341 1.00 0.00 C ATOM 585 CH2 TRP A 35 3.981 6.229 -14.127 1.00 0.00 C ATOM 0 H TRP A 35 1.204 11.439 -8.854 1.00 0.00 H new ATOM 0 HA TRP A 35 1.210 10.956 -11.782 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.089 10.713 -9.802 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.392 9.106 -9.733 1.00 0.00 H new ATOM 0 HD1 TRP A 35 5.013 11.105 -11.491 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.289 9.737 -13.342 1.00 0.00 H new ATOM 0 HE3 TRP A 35 1.638 7.258 -11.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 5.789 7.266 -14.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.120 5.402 -13.422 1.00 0.00 H new ATOM 0 HH2 TRP A 35 4.171 5.404 -14.798 1.00 0.00 H new ATOM 596 N LEU A 36 -0.435 8.916 -9.711 1.00 0.00 N ATOM 597 CA LEU A 36 -1.381 7.772 -9.688 1.00 0.00 C ATOM 598 C LEU A 36 -2.767 8.222 -9.106 1.00 0.00 C ATOM 599 O LEU A 36 -2.800 8.642 -7.942 1.00 0.00 O ATOM 600 CB LEU A 36 -0.775 6.637 -8.809 1.00 0.00 C ATOM 601 CG LEU A 36 0.493 5.955 -9.378 1.00 0.00 C ATOM 602 CD1 LEU A 36 1.152 5.087 -8.298 1.00 0.00 C ATOM 603 CD2 LEU A 36 0.196 5.088 -10.607 1.00 0.00 C ATOM 0 H LEU A 36 -0.193 9.263 -8.783 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.539 7.409 -10.704 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.535 7.050 -7.829 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.538 5.874 -8.655 1.00 0.00 H new ATOM 0 HG LEU A 36 1.167 6.753 -9.690 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.043 4.611 -8.707 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.431 5.712 -7.450 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.450 4.321 -7.969 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.120 4.634 -10.964 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.512 4.305 -10.337 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.232 5.708 -11.395 1.00 0.00 H new ATOM 615 N PRO A 37 -3.930 8.132 -9.812 1.00 0.00 N ATOM 616 CA PRO A 37 -5.240 8.656 -9.282 1.00 0.00 C ATOM 617 C PRO A 37 -5.866 7.965 -8.034 1.00 0.00 C ATOM 618 O PRO A 37 -6.640 8.589 -7.311 1.00 0.00 O ATOM 619 CB PRO A 37 -6.150 8.600 -10.534 1.00 0.00 C ATOM 620 CG PRO A 37 -5.566 7.462 -11.400 1.00 0.00 C ATOM 621 CD PRO A 37 -4.046 7.593 -11.184 1.00 0.00 C ATOM 0 HA PRO A 37 -5.096 9.647 -8.852 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.185 8.397 -10.261 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.142 9.549 -11.071 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.934 6.486 -11.083 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.834 7.578 -12.450 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.544 6.630 -11.279 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.594 8.262 -11.916 1.00 0.00 H new ATOM 629 N HIS A 38 -5.509 6.701 -7.774 1.00 0.00 N ATOM 630 CA HIS A 38 -5.824 5.986 -6.522 1.00 0.00 C ATOM 631 C HIS A 38 -4.507 5.762 -5.714 1.00 0.00 C ATOM 632 O HIS A 38 -3.692 4.900 -6.057 1.00 0.00 O ATOM 633 CB HIS A 38 -6.507 4.666 -6.956 1.00 0.00 C ATOM 634 CG HIS A 38 -7.033 3.798 -5.797 1.00 0.00 C ATOM 635 ND1 HIS A 38 -6.344 2.689 -5.331 1.00 0.00 N ATOM 636 CD2 HIS A 38 -8.230 3.955 -5.046 1.00 0.00 C ATOM 637 CE1 HIS A 38 -7.166 2.265 -4.322 1.00 0.00 C ATOM 638 NE2 HIS A 38 -8.314 2.969 -4.073 1.00 0.00 N ATOM 0 H HIS A 38 -4.983 6.132 -8.438 1.00 0.00 H new ATOM 0 HA HIS A 38 -6.490 6.540 -5.861 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -7.339 4.905 -7.619 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.795 4.079 -7.537 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -8.966 4.728 -5.209 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.915 1.394 -3.735 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -9.033 2.812 -3.367 1.00 0.00 H new ATOM 647 N SER A 39 -4.335 6.504 -4.611 1.00 0.00 N ATOM 648 CA SER A 39 -3.264 6.215 -3.626 1.00 0.00 C ATOM 649 C SER A 39 -3.734 5.136 -2.607 1.00 0.00 C ATOM 650 O SER A 39 -4.496 5.446 -1.679 1.00 0.00 O ATOM 651 CB SER A 39 -2.871 7.540 -2.917 1.00 0.00 C ATOM 652 OG SER A 39 -3.926 8.053 -2.101 1.00 0.00 O ATOM 0 H SER A 39 -4.917 7.307 -4.372 1.00 0.00 H new ATOM 0 HA SER A 39 -2.388 5.812 -4.134 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.988 7.372 -2.301 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.600 8.284 -3.666 1.00 0.00 H new ATOM 0 HG SER A 39 -4.424 7.308 -1.704 1.00 0.00 H new ATOM 658 N GLY A 40 -3.273 3.894 -2.787 1.00 0.00 N ATOM 659 CA GLY A 40 -3.562 2.783 -1.853 1.00 0.00 C ATOM 660 C GLY A 40 -3.599 1.426 -2.565 1.00 0.00 C ATOM 661 O GLY A 40 -4.686 0.910 -2.833 1.00 0.00 O ATOM 0 H GLY A 40 -2.690 3.623 -3.579 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.803 2.761 -1.071 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.519 2.961 -1.363 1.00 0.00 H new ATOM 665 N ALA A 41 -2.424 0.867 -2.893 1.00 0.00 N ATOM 666 CA ALA A 41 -2.326 -0.344 -3.744 1.00 0.00 C ATOM 667 C ALA A 41 -1.935 -1.602 -2.923 1.00 0.00 C ATOM 668 O ALA A 41 -0.812 -1.690 -2.418 1.00 0.00 O ATOM 669 CB ALA A 41 -1.296 -0.028 -4.843 1.00 0.00 C ATOM 0 H ALA A 41 -1.522 1.230 -2.584 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.294 -0.583 -4.184 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.187 -0.892 -5.499 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.636 0.829 -5.425 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.334 0.203 -4.385 1.00 0.00 H new ATOM 675 N THR A 42 -2.862 -2.566 -2.816 1.00 0.00 N ATOM 676 CA THR A 42 -2.627 -3.864 -2.128 1.00 0.00 C ATOM 677 C THR A 42 -2.056 -4.941 -3.088 1.00 0.00 C ATOM 678 O THR A 42 -2.801 -5.577 -3.838 1.00 0.00 O ATOM 679 CB THR A 42 -3.906 -4.302 -1.362 1.00 0.00 C ATOM 680 OG1 THR A 42 -3.647 -5.510 -0.655 1.00 0.00 O ATOM 681 CG2 THR A 42 -5.196 -4.549 -2.136 1.00 0.00 C ATOM 0 H THR A 42 -3.802 -2.476 -3.202 1.00 0.00 H new ATOM 0 HA THR A 42 -1.846 -3.732 -1.379 1.00 0.00 H new ATOM 0 HB THR A 42 -4.098 -3.420 -0.752 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.453 -5.785 -0.171 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.984 -4.847 -1.444 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.492 -3.635 -2.652 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.036 -5.342 -2.866 1.00 0.00 H new ATOM 689 N TRP A 43 -0.732 -5.159 -3.048 1.00 0.00 N ATOM 690 CA TRP A 43 -0.066 -6.191 -3.892 1.00 0.00 C ATOM 691 C TRP A 43 0.331 -7.409 -3.008 1.00 0.00 C ATOM 692 O TRP A 43 1.329 -7.344 -2.287 1.00 0.00 O ATOM 693 CB TRP A 43 1.137 -5.511 -4.582 1.00 0.00 C ATOM 694 CG TRP A 43 1.826 -6.305 -5.748 1.00 0.00 C ATOM 695 CD1 TRP A 43 1.917 -7.722 -5.929 1.00 0.00 C ATOM 696 CD2 TRP A 43 2.558 -5.776 -6.823 1.00 0.00 C ATOM 697 NE1 TRP A 43 2.649 -8.068 -7.069 1.00 0.00 N ATOM 698 CE2 TRP A 43 3.044 -6.862 -7.603 1.00 0.00 C ATOM 699 CE3 TRP A 43 2.896 -4.429 -7.195 1.00 0.00 C ATOM 700 CZ2 TRP A 43 3.878 -6.617 -8.729 1.00 0.00 C ATOM 701 CZ3 TRP A 43 3.714 -4.222 -8.302 1.00 0.00 C ATOM 702 CH2 TRP A 43 4.204 -5.304 -9.056 1.00 0.00 C ATOM 0 H TRP A 43 -0.094 -4.641 -2.445 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.726 -6.585 -4.665 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.805 -4.550 -4.975 1.00 0.00 H new ATOM 0 HB3 TRP A 43 1.890 -5.301 -3.823 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.470 -8.443 -5.260 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.846 -9.003 -7.425 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.521 -3.592 -6.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.253 -7.438 -9.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.977 -3.214 -8.587 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.845 -5.112 -9.904 1.00 0.00 H new ATOM 713 N SER A 44 -0.421 -8.519 -3.102 1.00 0.00 N ATOM 714 CA SER A 44 -0.096 -9.783 -2.390 1.00 0.00 C ATOM 715 C SER A 44 0.766 -10.754 -3.242 1.00 0.00 C ATOM 716 O SER A 44 0.272 -11.413 -4.162 1.00 0.00 O ATOM 717 CB SER A 44 -1.409 -10.436 -1.869 1.00 0.00 C ATOM 718 OG SER A 44 -2.334 -10.781 -2.899 1.00 0.00 O ATOM 0 H SER A 44 -1.268 -8.573 -3.668 1.00 0.00 H new ATOM 0 HA SER A 44 0.532 -9.542 -1.532 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.157 -11.334 -1.305 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.893 -9.749 -1.175 1.00 0.00 H new ATOM 0 HG SER A 44 -1.845 -11.123 -3.676 1.00 0.00 H new ATOM 724 N GLY A 45 2.069 -10.840 -2.929 1.00 0.00 N ATOM 725 CA GLY A 45 2.992 -11.768 -3.625 1.00 0.00 C ATOM 726 C GLY A 45 4.410 -11.211 -3.743 1.00 0.00 C ATOM 727 O GLY A 45 5.273 -11.544 -2.927 1.00 0.00 O ATOM 0 H GLY A 45 2.512 -10.281 -2.200 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.022 -12.716 -3.087 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.605 -11.979 -4.622 1.00 0.00 H new ATOM 731 N ARG A 46 4.637 -10.356 -4.753 1.00 0.00 N ATOM 732 CA ARG A 46 5.919 -9.611 -4.889 1.00 0.00 C ATOM 733 C ARG A 46 6.006 -8.471 -3.841 1.00 0.00 C ATOM 734 O ARG A 46 5.086 -7.658 -3.694 1.00 0.00 O ATOM 735 CB ARG A 46 6.034 -9.108 -6.344 1.00 0.00 C ATOM 736 CG ARG A 46 7.358 -8.421 -6.739 1.00 0.00 C ATOM 737 CD ARG A 46 7.344 -6.888 -6.609 1.00 0.00 C ATOM 738 NE ARG A 46 8.554 -6.318 -7.261 1.00 0.00 N ATOM 739 CZ ARG A 46 9.645 -5.873 -6.642 1.00 0.00 C ATOM 740 NH1 ARG A 46 9.793 -5.840 -5.344 1.00 0.00 N ATOM 741 NH2 ARG A 46 10.630 -5.442 -7.375 1.00 0.00 N ATOM 0 H ARG A 46 3.959 -10.158 -5.489 1.00 0.00 H new ATOM 0 HA ARG A 46 6.768 -10.263 -4.685 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.879 -9.957 -7.010 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.220 -8.407 -6.527 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.159 -8.819 -6.116 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.596 -8.684 -7.770 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.444 -6.482 -7.072 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.317 -6.603 -5.557 1.00 0.00 H new ATOM 0 HE ARG A 46 8.547 -6.263 -8.279 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.043 -6.169 -4.737 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.659 -5.485 -4.938 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.551 -5.452 -8.392 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.481 -5.094 -6.933 1.00 0.00 H new ATOM 755 N GLY A 47 7.145 -8.413 -3.136 1.00 0.00 N ATOM 756 CA GLY A 47 7.331 -7.466 -2.014 1.00 0.00 C ATOM 757 C GLY A 47 7.609 -6.023 -2.441 1.00 0.00 C ATOM 758 O GLY A 47 8.767 -5.607 -2.500 1.00 0.00 O ATOM 0 H GLY A 47 7.953 -9.008 -3.318 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.437 -7.481 -1.390 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.158 -7.814 -1.395 1.00 0.00 H new ATOM 762 N LYS A 48 6.541 -5.278 -2.746 1.00 0.00 N ATOM 763 CA LYS A 48 6.642 -3.845 -3.122 1.00 0.00 C ATOM 764 C LYS A 48 6.634 -2.928 -1.865 1.00 0.00 C ATOM 765 O LYS A 48 5.669 -2.937 -1.099 1.00 0.00 O ATOM 766 CB LYS A 48 5.560 -3.503 -4.186 1.00 0.00 C ATOM 767 CG LYS A 48 4.103 -3.339 -3.721 1.00 0.00 C ATOM 768 CD LYS A 48 3.721 -1.875 -3.421 1.00 0.00 C ATOM 769 CE LYS A 48 2.486 -1.792 -2.518 1.00 0.00 C ATOM 770 NZ LYS A 48 2.229 -0.388 -2.116 1.00 0.00 N ATOM 0 H LYS A 48 5.587 -5.638 -2.742 1.00 0.00 H new ATOM 0 HA LYS A 48 7.605 -3.650 -3.594 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.858 -2.577 -4.677 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.580 -4.286 -4.944 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.437 -3.731 -4.490 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.945 -3.940 -2.825 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.559 -1.370 -2.941 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.526 -1.350 -4.356 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.618 -2.191 -3.042 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.634 -2.409 -1.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.203 -0.228 -2.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.668 -0.206 -1.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.635 0.256 -2.824 1.00 0.00 H new ATOM 784 N ILE A 49 7.694 -2.138 -1.658 1.00 0.00 N ATOM 785 CA ILE A 49 7.716 -1.084 -0.604 1.00 0.00 C ATOM 786 C ILE A 49 8.130 0.239 -1.348 1.00 0.00 C ATOM 787 O ILE A 49 9.293 0.325 -1.765 1.00 0.00 O ATOM 788 CB ILE A 49 8.694 -1.390 0.587 1.00 0.00 C ATOM 789 CG1 ILE A 49 8.437 -2.734 1.325 1.00 0.00 C ATOM 790 CG2 ILE A 49 8.569 -0.272 1.667 1.00 0.00 C ATOM 791 CD1 ILE A 49 9.138 -3.947 0.713 1.00 0.00 C ATOM 0 H ILE A 49 8.555 -2.199 -2.201 1.00 0.00 H new ATOM 0 HA ILE A 49 6.737 -1.016 -0.130 1.00 0.00 H new ATOM 0 HB ILE A 49 9.679 -1.444 0.123 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.759 -2.631 2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.364 -2.923 1.342 1.00 0.00 H new ATOM 0 HG21 ILE A 49 9.248 -0.486 2.492 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.826 0.691 1.226 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.545 -0.238 2.039 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.900 -4.837 1.295 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.799 -4.083 -0.314 1.00 0.00 H new ATOM 0 HD13 ILE A 49 10.216 -3.786 0.721 1.00 0.00 H new ATOM 803 N PRO A 50 7.285 1.291 -1.520 1.00 0.00 N ATOM 804 CA PRO A 50 7.693 2.531 -2.269 1.00 0.00 C ATOM 805 C PRO A 50 8.498 3.596 -1.469 1.00 0.00 C ATOM 806 O PRO A 50 8.316 4.800 -1.654 1.00 0.00 O ATOM 807 CB PRO A 50 6.300 3.022 -2.754 1.00 0.00 C ATOM 808 CG PRO A 50 5.365 2.689 -1.566 1.00 0.00 C ATOM 809 CD PRO A 50 5.873 1.315 -1.092 1.00 0.00 C ATOM 0 HA PRO A 50 8.422 2.333 -3.054 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.305 4.090 -2.974 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.989 2.511 -3.665 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.434 3.438 -0.777 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.321 2.647 -1.875 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.781 1.206 -0.011 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.305 0.502 -1.543 1.00 0.00 H new ATOM 817 N LYS A 51 9.458 3.135 -0.661 1.00 0.00 N ATOM 818 CA LYS A 51 10.395 4.003 0.090 1.00 0.00 C ATOM 819 C LYS A 51 11.470 4.714 -0.783 1.00 0.00 C ATOM 820 O LYS A 51 11.509 5.940 -0.662 1.00 0.00 O ATOM 821 CB LYS A 51 10.951 3.240 1.317 1.00 0.00 C ATOM 822 CG LYS A 51 10.483 3.779 2.691 1.00 0.00 C ATOM 823 CD LYS A 51 8.962 3.727 2.959 1.00 0.00 C ATOM 824 CE LYS A 51 8.318 5.120 3.112 1.00 0.00 C ATOM 825 NZ LYS A 51 6.855 5.019 3.408 1.00 0.00 N ATOM 0 H LYS A 51 9.615 2.140 -0.503 1.00 0.00 H new ATOM 0 HA LYS A 51 9.825 4.853 0.466 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.660 2.193 1.237 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.040 3.272 1.283 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.989 3.212 3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.813 4.814 2.784 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.474 3.198 2.140 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.780 3.149 3.865 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.815 5.666 3.914 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.466 5.693 2.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.335 5.710 2.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.521 4.060 3.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.690 5.218 4.415 1.00 0.00 H new ATOM 839 N PRO A 52 12.293 4.109 -1.695 1.00 0.00 N ATOM 840 CA PRO A 52 13.092 4.911 -2.689 1.00 0.00 C ATOM 841 C PRO A 52 12.298 5.791 -3.703 1.00 0.00 C ATOM 842 O PRO A 52 12.814 6.829 -4.123 1.00 0.00 O ATOM 843 CB PRO A 52 13.977 3.835 -3.362 1.00 0.00 C ATOM 844 CG PRO A 52 13.147 2.538 -3.269 1.00 0.00 C ATOM 845 CD PRO A 52 12.403 2.652 -1.923 1.00 0.00 C ATOM 0 HA PRO A 52 13.648 5.700 -2.183 1.00 0.00 H new ATOM 0 HB2 PRO A 52 14.196 4.093 -4.398 1.00 0.00 H new ATOM 0 HB3 PRO A 52 14.934 3.731 -2.850 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.449 2.452 -4.102 1.00 0.00 H new ATOM 0 HG3 PRO A 52 13.786 1.655 -3.296 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.421 2.180 -1.969 1.00 0.00 H new ATOM 0 HD3 PRO A 52 12.954 2.163 -1.120 1.00 0.00 H new ATOM 853 N PHE A 53 11.046 5.419 -4.042 1.00 0.00 N ATOM 854 CA PHE A 53 10.127 6.308 -4.800 1.00 0.00 C ATOM 855 C PHE A 53 9.640 7.527 -3.973 1.00 0.00 C ATOM 856 O PHE A 53 9.984 8.645 -4.347 1.00 0.00 O ATOM 857 CB PHE A 53 9.000 5.422 -5.377 1.00 0.00 C ATOM 858 CG PHE A 53 7.975 6.171 -6.246 1.00 0.00 C ATOM 859 CD1 PHE A 53 8.310 6.613 -7.536 1.00 0.00 C ATOM 860 CD2 PHE A 53 6.692 6.449 -5.748 1.00 0.00 C ATOM 861 CE1 PHE A 53 7.368 7.268 -8.329 1.00 0.00 C ATOM 862 CE2 PHE A 53 5.757 7.114 -6.537 1.00 0.00 C ATOM 863 CZ PHE A 53 6.088 7.505 -7.832 1.00 0.00 C ATOM 0 H PHE A 53 10.645 4.512 -3.805 1.00 0.00 H new ATOM 0 HA PHE A 53 10.652 6.785 -5.628 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.450 4.628 -5.973 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.475 4.942 -4.551 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.306 6.444 -7.918 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.428 6.145 -4.746 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.630 7.591 -9.326 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.774 7.327 -6.144 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.351 7.993 -8.452 1.00 0.00 H new ATOM 873 N GLU A 54 8.899 7.333 -2.869 1.00 0.00 N ATOM 874 CA GLU A 54 8.427 8.453 -2.004 1.00 0.00 C ATOM 875 C GLU A 54 9.534 9.367 -1.367 1.00 0.00 C ATOM 876 O GLU A 54 9.272 10.557 -1.152 1.00 0.00 O ATOM 877 CB GLU A 54 7.478 7.836 -0.945 1.00 0.00 C ATOM 878 CG GLU A 54 6.693 8.871 -0.119 1.00 0.00 C ATOM 879 CD GLU A 54 5.631 8.299 0.799 1.00 0.00 C ATOM 880 OE1 GLU A 54 5.945 7.429 1.640 1.00 0.00 O ATOM 881 OE2 GLU A 54 4.475 8.786 0.732 1.00 0.00 O ATOM 0 H GLU A 54 8.608 6.411 -2.545 1.00 0.00 H new ATOM 0 HA GLU A 54 7.911 9.168 -2.646 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.770 7.177 -1.448 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.064 7.216 -0.267 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.400 9.442 0.483 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.217 9.573 -0.804 1.00 0.00 H new ATOM 888 N ALA A 55 10.734 8.819 -1.108 1.00 0.00 N ATOM 889 CA ALA A 55 11.937 9.605 -0.776 1.00 0.00 C ATOM 890 C ALA A 55 12.482 10.488 -1.928 1.00 0.00 C ATOM 891 O ALA A 55 12.636 11.688 -1.706 1.00 0.00 O ATOM 892 CB ALA A 55 13.012 8.629 -0.284 1.00 0.00 C ATOM 0 H ALA A 55 10.898 7.812 -1.123 1.00 0.00 H new ATOM 0 HA ALA A 55 11.654 10.321 -0.004 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.916 9.182 -0.030 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.649 8.102 0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.236 7.908 -1.070 1.00 0.00 H new ATOM 898 N TRP A 56 12.740 9.952 -3.139 1.00 0.00 N ATOM 899 CA TRP A 56 13.140 10.797 -4.300 1.00 0.00 C ATOM 900 C TRP A 56 12.017 11.705 -4.902 1.00 0.00 C ATOM 901 O TRP A 56 12.307 12.835 -5.302 1.00 0.00 O ATOM 902 CB TRP A 56 13.846 9.922 -5.357 1.00 0.00 C ATOM 903 CG TRP A 56 14.949 10.748 -6.101 1.00 0.00 C ATOM 904 CD1 TRP A 56 14.822 11.436 -7.336 1.00 0.00 C ATOM 905 CD2 TRP A 56 16.219 11.090 -5.628 1.00 0.00 C ATOM 906 NE1 TRP A 56 15.968 12.192 -7.637 1.00 0.00 N ATOM 907 CE2 TRP A 56 16.816 11.971 -6.568 1.00 0.00 C ATOM 908 CE3 TRP A 56 16.910 10.759 -4.415 1.00 0.00 C ATOM 909 CZ2 TRP A 56 18.102 12.524 -6.304 1.00 0.00 C ATOM 910 CZ3 TRP A 56 18.168 11.305 -4.190 1.00 0.00 C ATOM 911 CH2 TRP A 56 18.758 12.179 -5.123 1.00 0.00 C ATOM 0 H TRP A 56 12.682 8.955 -3.344 1.00 0.00 H new ATOM 0 HA TRP A 56 13.844 11.534 -3.913 1.00 0.00 H new ATOM 0 HB2 TRP A 56 14.295 9.053 -4.877 1.00 0.00 H new ATOM 0 HB3 TRP A 56 13.116 9.548 -6.075 1.00 0.00 H new ATOM 0 HD1 TRP A 56 13.949 11.385 -7.969 1.00 0.00 H new ATOM 0 HE1 TRP A 56 16.136 12.773 -8.459 1.00 0.00 H new ATOM 0 HE3 TRP A 56 16.460 10.097 -3.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 18.562 13.201 -7.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 18.702 11.055 -3.285 1.00 0.00 H new ATOM 0 HH2 TRP A 56 19.736 12.590 -4.920 1.00 0.00 H new ATOM 922 N ILE A 57 10.746 11.278 -4.852 1.00 0.00 N ATOM 923 CA ILE A 57 9.567 12.202 -4.954 1.00 0.00 C ATOM 924 C ILE A 57 9.398 13.232 -3.753 1.00 0.00 C ATOM 925 O ILE A 57 8.532 14.106 -3.830 1.00 0.00 O ATOM 926 CB ILE A 57 8.327 11.299 -5.251 1.00 0.00 C ATOM 927 CG1 ILE A 57 8.385 10.553 -6.625 1.00 0.00 C ATOM 928 CG2 ILE A 57 6.937 11.920 -5.107 1.00 0.00 C ATOM 929 CD1 ILE A 57 8.370 11.414 -7.884 1.00 0.00 C ATOM 0 H ILE A 57 10.490 10.297 -4.741 1.00 0.00 H new ATOM 0 HA ILE A 57 9.715 12.908 -5.771 1.00 0.00 H new ATOM 0 HB ILE A 57 8.436 10.595 -4.426 1.00 0.00 H new ATOM 0 HG12 ILE A 57 9.289 9.945 -6.642 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.539 9.868 -6.674 1.00 0.00 H new ATOM 0 HG21 ILE A 57 6.179 11.174 -5.345 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.797 12.265 -4.083 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.843 12.764 -5.790 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.414 10.772 -8.764 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.454 12.004 -7.911 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.231 12.082 -7.878 1.00 0.00 H new ATOM 941 N GLY A 58 10.239 13.197 -2.711 1.00 0.00 N ATOM 942 CA GLY A 58 10.382 14.301 -1.741 1.00 0.00 C ATOM 943 C GLY A 58 11.706 15.095 -1.755 1.00 0.00 C ATOM 944 O GLY A 58 11.636 16.295 -1.492 1.00 0.00 O ATOM 0 H GLY A 58 10.844 12.400 -2.513 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.566 15.004 -1.909 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.247 13.889 -0.741 1.00 0.00 H new ATOM 948 N THR A 59 12.868 14.472 -2.039 1.00 0.00 N ATOM 949 CA THR A 59 14.231 15.103 -1.940 1.00 0.00 C ATOM 950 C THR A 59 14.357 16.590 -2.430 1.00 0.00 C ATOM 951 O THR A 59 14.876 17.437 -1.704 1.00 0.00 O ATOM 952 CB THR A 59 15.270 14.192 -2.691 1.00 0.00 C ATOM 953 OG1 THR A 59 15.237 12.853 -2.214 1.00 0.00 O ATOM 954 CG2 THR A 59 16.726 14.620 -2.527 1.00 0.00 C ATOM 0 H THR A 59 12.903 13.501 -2.350 1.00 0.00 H new ATOM 0 HA THR A 59 14.437 15.168 -0.872 1.00 0.00 H new ATOM 0 HB THR A 59 14.964 14.285 -3.733 1.00 0.00 H new ATOM 0 HG1 THR A 59 15.710 12.270 -2.843 1.00 0.00 H new ATOM 0 HG21 THR A 59 17.371 13.935 -3.078 1.00 0.00 H new ATOM 0 HG22 THR A 59 16.854 15.631 -2.915 1.00 0.00 H new ATOM 0 HG23 THR A 59 16.994 14.600 -1.471 1.00 0.00 H new ATOM 962 N ALA A 60 13.849 16.854 -3.642 1.00 0.00 N ATOM 963 CA ALA A 60 13.586 18.233 -4.126 1.00 0.00 C ATOM 964 C ALA A 60 12.103 18.522 -4.537 1.00 0.00 C ATOM 965 O ALA A 60 11.663 19.666 -4.415 1.00 0.00 O ATOM 966 CB ALA A 60 14.552 18.515 -5.286 1.00 0.00 C ATOM 0 H ALA A 60 13.607 16.129 -4.317 1.00 0.00 H new ATOM 0 HA ALA A 60 13.756 18.911 -3.289 1.00 0.00 H new ATOM 0 HB1 ALA A 60 14.383 19.523 -5.664 1.00 0.00 H new ATOM 0 HB2 ALA A 60 15.580 18.428 -4.933 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.380 17.794 -6.086 1.00 0.00 H new ATOM 972 N ALA A 61 11.340 17.517 -4.999 1.00 0.00 N ATOM 973 CA ALA A 61 9.922 17.679 -5.383 1.00 0.00 C ATOM 974 C ALA A 61 8.887 18.063 -4.293 1.00 0.00 C ATOM 975 O ALA A 61 7.877 18.669 -4.651 1.00 0.00 O ATOM 976 CB ALA A 61 9.517 16.376 -6.081 1.00 0.00 C ATOM 0 H ALA A 61 11.688 16.565 -5.118 1.00 0.00 H new ATOM 0 HA ALA A 61 9.887 18.567 -6.015 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.473 16.437 -6.389 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.146 16.223 -6.958 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.644 15.540 -5.393 1.00 0.00 H new ATOM 982 N TYR A 62 9.140 17.766 -3.008 1.00 0.00 N ATOM 983 CA TYR A 62 8.273 18.195 -1.874 1.00 0.00 C ATOM 984 C TYR A 62 7.812 19.685 -1.870 1.00 0.00 C ATOM 985 O TYR A 62 6.620 19.922 -1.678 1.00 0.00 O ATOM 986 CB TYR A 62 8.962 17.818 -0.542 1.00 0.00 C ATOM 987 CG TYR A 62 8.079 17.872 0.721 1.00 0.00 C ATOM 988 CD1 TYR A 62 6.908 17.097 0.841 1.00 0.00 C ATOM 989 CD2 TYR A 62 8.459 18.679 1.801 1.00 0.00 C ATOM 990 CE1 TYR A 62 6.139 17.145 2.007 1.00 0.00 C ATOM 991 CE2 TYR A 62 7.694 18.714 2.969 1.00 0.00 C ATOM 992 CZ TYR A 62 6.537 17.950 3.073 1.00 0.00 C ATOM 993 OH TYR A 62 5.789 18.015 4.211 1.00 0.00 O ATOM 0 H TYR A 62 9.951 17.221 -2.715 1.00 0.00 H new ATOM 0 HA TYR A 62 7.337 17.653 -2.006 1.00 0.00 H new ATOM 0 HB2 TYR A 62 9.362 16.809 -0.637 1.00 0.00 H new ATOM 0 HB3 TYR A 62 9.811 18.485 -0.395 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.602 16.460 0.024 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.353 19.281 1.730 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.236 16.558 2.082 1.00 0.00 H new ATOM 0 HE2 TYR A 62 8.003 19.337 3.795 1.00 0.00 H new ATOM 0 HH TYR A 62 4.848 17.848 3.994 1.00 0.00 H new ATOM 1003 N THR A 63 8.700 20.656 -2.135 1.00 0.00 N ATOM 1004 CA THR A 63 8.289 22.084 -2.294 1.00 0.00 C ATOM 1005 C THR A 63 7.294 22.400 -3.462 1.00 0.00 C ATOM 1006 O THR A 63 6.389 23.216 -3.276 1.00 0.00 O ATOM 1007 CB THR A 63 9.538 22.998 -2.249 1.00 0.00 C ATOM 1008 OG1 THR A 63 9.134 24.351 -2.065 1.00 0.00 O ATOM 1009 CG2 THR A 63 10.475 22.961 -3.450 1.00 0.00 C ATOM 0 H THR A 63 9.701 20.494 -2.245 1.00 0.00 H new ATOM 0 HA THR A 63 7.660 22.314 -1.434 1.00 0.00 H new ATOM 0 HB THR A 63 10.113 22.592 -1.417 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.926 24.928 -2.035 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.305 23.648 -3.285 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.861 21.950 -3.580 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.930 23.259 -4.346 1.00 0.00 H new ATOM 1017 N ALA A 64 7.431 21.733 -4.625 1.00 0.00 N ATOM 1018 CA ALA A 64 6.398 21.774 -5.698 1.00 0.00 C ATOM 1019 C ALA A 64 5.111 20.933 -5.410 1.00 0.00 C ATOM 1020 O ALA A 64 3.999 21.401 -5.672 1.00 0.00 O ATOM 1021 CB ALA A 64 7.092 21.327 -6.995 1.00 0.00 C ATOM 0 H ALA A 64 8.243 21.158 -4.852 1.00 0.00 H new ATOM 0 HA ALA A 64 6.015 22.792 -5.770 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.374 21.340 -7.815 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.913 22.007 -7.221 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.481 20.317 -6.870 1.00 0.00 H new ATOM 1027 N TRP A 65 5.270 19.719 -4.861 1.00 0.00 N ATOM 1028 CA TRP A 65 4.159 18.876 -4.362 1.00 0.00 C ATOM 1029 C TRP A 65 3.243 19.505 -3.263 1.00 0.00 C ATOM 1030 O TRP A 65 2.021 19.399 -3.366 1.00 0.00 O ATOM 1031 CB TRP A 65 4.785 17.531 -3.897 1.00 0.00 C ATOM 1032 CG TRP A 65 3.926 16.319 -4.338 1.00 0.00 C ATOM 1033 CD1 TRP A 65 4.115 15.573 -5.525 1.00 0.00 C ATOM 1034 CD2 TRP A 65 2.764 15.803 -3.761 1.00 0.00 C ATOM 1035 NE1 TRP A 65 3.102 14.627 -5.717 1.00 0.00 N ATOM 1036 CE2 TRP A 65 2.275 14.789 -4.622 1.00 0.00 C ATOM 1037 CE3 TRP A 65 2.047 16.143 -2.568 1.00 0.00 C ATOM 1038 CZ2 TRP A 65 1.074 14.107 -4.300 1.00 0.00 C ATOM 1039 CZ3 TRP A 65 0.880 15.448 -2.273 1.00 0.00 C ATOM 1040 CH2 TRP A 65 0.399 14.438 -3.128 1.00 0.00 C ATOM 0 H TRP A 65 6.185 19.284 -4.747 1.00 0.00 H new ATOM 0 HA TRP A 65 3.458 18.744 -5.186 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.789 17.435 -4.309 1.00 0.00 H new ATOM 0 HB3 TRP A 65 4.885 17.531 -2.812 1.00 0.00 H new ATOM 0 HD1 TRP A 65 4.943 15.717 -6.203 1.00 0.00 H new ATOM 0 HE1 TRP A 65 2.998 13.968 -6.489 1.00 0.00 H new ATOM 0 HE3 TRP A 65 2.406 16.923 -1.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 0.688 13.341 -4.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.333 15.687 -1.373 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.508 13.912 -2.871 1.00 0.00 H new ATOM 1051 N LYS A 66 3.837 20.175 -2.268 1.00 0.00 N ATOM 1052 CA LYS A 66 3.113 20.980 -1.250 1.00 0.00 C ATOM 1053 C LYS A 66 2.256 22.175 -1.772 1.00 0.00 C ATOM 1054 O LYS A 66 1.184 22.419 -1.214 1.00 0.00 O ATOM 1055 CB LYS A 66 4.167 21.482 -0.220 1.00 0.00 C ATOM 1056 CG LYS A 66 4.654 20.405 0.768 1.00 0.00 C ATOM 1057 CD LYS A 66 3.657 20.045 1.872 1.00 0.00 C ATOM 1058 CE LYS A 66 3.497 21.112 2.959 1.00 0.00 C ATOM 1059 NZ LYS A 66 2.376 20.692 3.832 1.00 0.00 N ATOM 0 H LYS A 66 4.849 20.180 -2.137 1.00 0.00 H new ATOM 0 HA LYS A 66 2.366 20.316 -0.815 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.027 21.877 -0.761 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.739 22.310 0.346 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.896 19.502 0.208 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.578 20.749 1.232 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.684 19.859 1.418 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.974 19.113 2.340 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.416 21.212 3.536 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.292 22.086 2.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.972 21.526 4.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.642 20.231 3.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.725 20.024 4.548 1.00 0.00 H new ATOM 1073 N ALA A 67 2.687 22.880 -2.831 1.00 0.00 N ATOM 1074 CA ALA A 67 1.784 23.764 -3.607 1.00 0.00 C ATOM 1075 C ALA A 67 0.608 23.055 -4.363 1.00 0.00 C ATOM 1076 O ALA A 67 -0.488 23.615 -4.409 1.00 0.00 O ATOM 1077 CB ALA A 67 2.666 24.577 -4.566 1.00 0.00 C ATOM 0 H ALA A 67 3.648 22.860 -3.172 1.00 0.00 H new ATOM 0 HA ALA A 67 1.255 24.398 -2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.040 25.244 -5.159 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.381 25.166 -3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.204 23.899 -5.229 1.00 0.00 H new ATOM 1083 N LYS A 68 0.816 21.853 -4.930 1.00 0.00 N ATOM 1084 CA LYS A 68 -0.252 21.103 -5.646 1.00 0.00 C ATOM 1085 C LYS A 68 -1.281 20.356 -4.732 1.00 0.00 C ATOM 1086 O LYS A 68 -2.478 20.426 -5.016 1.00 0.00 O ATOM 1087 CB LYS A 68 0.442 20.104 -6.612 1.00 0.00 C ATOM 1088 CG LYS A 68 1.254 20.782 -7.747 1.00 0.00 C ATOM 1089 CD LYS A 68 2.412 19.881 -8.199 1.00 0.00 C ATOM 1090 CE LYS A 68 3.402 20.529 -9.184 1.00 0.00 C ATOM 1091 NZ LYS A 68 2.817 20.782 -10.532 1.00 0.00 N ATOM 0 H LYS A 68 1.715 21.372 -4.910 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.858 21.839 -6.175 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.109 19.462 -6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.316 19.459 -7.057 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.600 20.993 -8.593 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.645 21.738 -7.400 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.963 19.555 -7.317 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.996 18.987 -8.663 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.754 21.472 -8.766 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.273 19.883 -9.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.430 21.436 -11.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.740 19.884 -11.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.872 21.203 -10.427 1.00 0.00 H new ATOM 1105 N HIS A 69 -0.839 19.624 -3.694 1.00 0.00 N ATOM 1106 CA HIS A 69 -1.749 18.969 -2.711 1.00 0.00 C ATOM 1107 C HIS A 69 -1.310 19.293 -1.231 1.00 0.00 C ATOM 1108 O HIS A 69 -0.110 19.462 -0.994 1.00 0.00 O ATOM 1109 CB HIS A 69 -1.801 17.447 -2.986 1.00 0.00 C ATOM 1110 CG HIS A 69 -3.134 16.931 -3.559 1.00 0.00 C ATOM 1111 ND1 HIS A 69 -3.810 15.859 -2.993 1.00 0.00 N ATOM 1112 CD2 HIS A 69 -3.865 17.405 -4.686 1.00 0.00 C ATOM 1113 CE1 HIS A 69 -4.908 15.787 -3.803 1.00 0.00 C ATOM 1114 NE2 HIS A 69 -5.025 16.665 -4.842 1.00 0.00 N ATOM 0 H HIS A 69 0.151 19.465 -3.505 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.756 19.368 -2.830 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -1.002 17.192 -3.682 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.595 16.918 -2.055 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -3.560 18.221 -5.324 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.673 15.046 -3.624 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.763 16.752 -5.540 1.00 0.00 H new ATOM 1123 N PRO A 70 -2.219 19.382 -0.217 1.00 0.00 N ATOM 1124 CA PRO A 70 -1.940 20.146 1.056 1.00 0.00 C ATOM 1125 C PRO A 70 -0.807 19.604 1.950 1.00 0.00 C ATOM 1126 O PRO A 70 0.258 20.224 2.024 1.00 0.00 O ATOM 1127 CB PRO A 70 -3.341 20.269 1.711 1.00 0.00 C ATOM 1128 CG PRO A 70 -4.166 19.113 1.096 1.00 0.00 C ATOM 1129 CD PRO A 70 -3.652 19.046 -0.350 1.00 0.00 C ATOM 0 HA PRO A 70 -1.497 21.122 0.856 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.280 20.179 2.796 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.795 21.237 1.497 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.002 18.175 1.626 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.236 19.317 1.134 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.795 18.056 -0.782 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.173 19.753 -0.995 1.00 0.00 H new ATOM 1137 N ASP A 71 -0.992 18.448 2.599 1.00 0.00 N ATOM 1138 CA ASP A 71 0.143 17.576 3.005 1.00 0.00 C ATOM 1139 C ASP A 71 -0.164 16.061 2.745 1.00 0.00 C ATOM 1140 O ASP A 71 0.074 15.209 3.603 1.00 0.00 O ATOM 1141 CB ASP A 71 0.477 17.893 4.475 1.00 0.00 C ATOM 1142 CG ASP A 71 1.920 17.593 4.890 1.00 0.00 C ATOM 1143 OD1 ASP A 71 2.826 17.563 4.028 1.00 0.00 O ATOM 1144 OD2 ASP A 71 2.174 17.495 6.106 1.00 0.00 O ATOM 0 H ASP A 71 -1.910 18.086 2.859 1.00 0.00 H new ATOM 0 HA ASP A 71 1.022 17.783 2.394 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.274 18.948 4.659 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.195 17.323 5.116 1.00 0.00 H new ATOM 1149 N GLU A 72 -0.676 15.718 1.544 1.00 0.00 N ATOM 1150 CA GLU A 72 -1.153 14.337 1.259 1.00 0.00 C ATOM 1151 C GLU A 72 -0.032 13.243 1.174 1.00 0.00 C ATOM 1152 O GLU A 72 -0.277 12.132 1.634 1.00 0.00 O ATOM 1153 CB GLU A 72 -2.001 14.337 -0.045 1.00 0.00 C ATOM 1154 CG GLU A 72 -3.009 13.172 -0.132 1.00 0.00 C ATOM 1155 CD GLU A 72 -3.207 12.575 -1.513 1.00 0.00 C ATOM 1156 OE1 GLU A 72 -2.326 11.821 -1.981 1.00 0.00 O ATOM 1157 OE2 GLU A 72 -4.270 12.812 -2.127 1.00 0.00 O ATOM 0 H GLU A 72 -0.771 16.365 0.761 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.756 14.054 2.122 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.543 15.280 -0.115 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.331 14.290 -0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.681 12.381 0.542 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.974 13.523 0.234 1.00 0.00 H new ATOM 1164 N LYS A 73 1.135 13.516 0.561 1.00 0.00 N ATOM 1165 CA LYS A 73 2.277 12.557 0.525 1.00 0.00 C ATOM 1166 C LYS A 73 3.104 12.588 1.844 1.00 0.00 C ATOM 1167 O LYS A 73 3.342 13.661 2.410 1.00 0.00 O ATOM 1168 CB LYS A 73 3.151 12.940 -0.699 1.00 0.00 C ATOM 1169 CG LYS A 73 4.221 11.892 -1.064 1.00 0.00 C ATOM 1170 CD LYS A 73 5.411 12.461 -1.843 1.00 0.00 C ATOM 1171 CE LYS A 73 6.442 13.277 -1.040 1.00 0.00 C ATOM 1172 NZ LYS A 73 7.348 12.440 -0.202 1.00 0.00 N ATOM 0 H LYS A 73 1.321 14.395 0.079 1.00 0.00 H new ATOM 0 HA LYS A 73 1.908 11.536 0.432 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.502 13.095 -1.561 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.644 13.891 -0.496 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.588 11.428 -0.148 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.756 11.104 -1.656 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.932 11.631 -2.320 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.023 13.095 -2.640 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.043 13.867 -1.732 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.914 13.981 -0.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.170 13.005 0.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.836 12.111 0.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.671 11.619 -0.753 1.00 0.00 H new ATOM 1186 N PHE A 74 3.588 11.418 2.299 1.00 0.00 N ATOM 1187 CA PHE A 74 4.402 11.333 3.540 1.00 0.00 C ATOM 1188 C PHE A 74 5.788 12.067 3.413 1.00 0.00 C ATOM 1189 O PHE A 74 6.455 11.884 2.384 1.00 0.00 O ATOM 1190 CB PHE A 74 4.584 9.834 3.887 1.00 0.00 C ATOM 1191 CG PHE A 74 4.962 9.569 5.348 1.00 0.00 C ATOM 1192 CD1 PHE A 74 3.958 9.416 6.315 1.00 0.00 C ATOM 1193 CD2 PHE A 74 6.308 9.525 5.752 1.00 0.00 C ATOM 1194 CE1 PHE A 74 4.289 9.252 7.660 1.00 0.00 C ATOM 1195 CE2 PHE A 74 6.638 9.367 7.098 1.00 0.00 C ATOM 1196 CZ PHE A 74 5.628 9.233 8.050 1.00 0.00 C ATOM 0 H PHE A 74 3.435 10.522 1.836 1.00 0.00 H new ATOM 0 HA PHE A 74 3.878 11.849 4.344 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.658 9.305 3.661 1.00 0.00 H new ATOM 0 HB3 PHE A 74 5.356 9.414 3.242 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.920 9.425 6.016 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.092 9.614 5.015 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.509 9.140 8.399 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.674 9.348 7.402 1.00 0.00 H new ATOM 0 HZ PHE A 74 5.883 9.114 9.093 1.00 0.00 H new ATOM 1206 N PRO A 75 6.264 12.863 4.408 1.00 0.00 N ATOM 1207 CA PRO A 75 7.572 13.595 4.312 1.00 0.00 C ATOM 1208 C PRO A 75 8.831 12.704 4.494 1.00 0.00 C ATOM 1209 O PRO A 75 9.493 12.686 5.535 1.00 0.00 O ATOM 1210 CB PRO A 75 7.396 14.694 5.394 1.00 0.00 C ATOM 1211 CG PRO A 75 6.477 14.049 6.457 1.00 0.00 C ATOM 1212 CD PRO A 75 5.490 13.224 5.618 1.00 0.00 C ATOM 0 HA PRO A 75 7.769 13.995 3.317 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.355 14.986 5.823 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.947 15.595 4.975 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.040 13.421 7.148 1.00 0.00 H new ATOM 0 HG3 PRO A 75 5.964 14.802 7.056 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.153 12.338 6.155 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.601 13.801 5.366 1.00 0.00 H new ATOM 1220 N ALA A 76 9.147 11.978 3.416 1.00 0.00 N ATOM 1221 CA ALA A 76 10.273 11.029 3.382 1.00 0.00 C ATOM 1222 C ALA A 76 11.564 11.642 2.768 1.00 0.00 C ATOM 1223 O ALA A 76 11.549 12.231 1.682 1.00 0.00 O ATOM 1224 CB ALA A 76 9.797 9.828 2.549 1.00 0.00 C ATOM 0 H ALA A 76 8.630 12.030 2.538 1.00 0.00 H new ATOM 0 HA ALA A 76 10.545 10.743 4.398 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.595 9.088 2.489 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.922 9.381 3.022 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.536 10.162 1.545 1.00 0.00 H new ATOM 1230 N PHE A 77 12.678 11.442 3.472 1.00 0.00 N ATOM 1231 CA PHE A 77 14.039 11.776 2.979 1.00 0.00 C ATOM 1232 C PHE A 77 14.769 10.543 2.327 1.00 0.00 C ATOM 1233 O PHE A 77 14.407 9.404 2.642 1.00 0.00 O ATOM 1234 CB PHE A 77 14.829 12.389 4.175 1.00 0.00 C ATOM 1235 CG PHE A 77 15.338 11.416 5.257 1.00 0.00 C ATOM 1236 CD1 PHE A 77 14.499 10.974 6.294 1.00 0.00 C ATOM 1237 CD2 PHE A 77 16.645 10.906 5.187 1.00 0.00 C ATOM 1238 CE1 PHE A 77 14.951 10.035 7.223 1.00 0.00 C ATOM 1239 CE2 PHE A 77 17.097 9.969 6.116 1.00 0.00 C ATOM 1240 CZ PHE A 77 16.249 9.533 7.131 1.00 0.00 C ATOM 0 H PHE A 77 12.675 11.041 4.410 1.00 0.00 H new ATOM 0 HA PHE A 77 13.975 12.503 2.169 1.00 0.00 H new ATOM 0 HB2 PHE A 77 15.688 12.926 3.773 1.00 0.00 H new ATOM 0 HB3 PHE A 77 14.190 13.128 4.659 1.00 0.00 H new ATOM 0 HD1 PHE A 77 13.495 11.364 6.373 1.00 0.00 H new ATOM 0 HD2 PHE A 77 17.308 11.244 4.404 1.00 0.00 H new ATOM 0 HE1 PHE A 77 14.296 9.697 8.013 1.00 0.00 H new ATOM 0 HE2 PHE A 77 18.103 9.582 6.048 1.00 0.00 H new ATOM 0 HZ PHE A 77 16.597 8.805 7.848 1.00 0.00 H new ATOM 1250 N PRO A 78 15.827 10.695 1.484 1.00 0.00 N ATOM 1251 CA PRO A 78 16.620 9.523 0.983 1.00 0.00 C ATOM 1252 C PRO A 78 17.604 8.954 2.039 1.00 0.00 C ATOM 1253 O PRO A 78 18.636 9.560 2.347 1.00 0.00 O ATOM 1254 CB PRO A 78 17.298 10.126 -0.275 1.00 0.00 C ATOM 1255 CG PRO A 78 17.499 11.619 0.071 1.00 0.00 C ATOM 1256 CD PRO A 78 16.253 11.982 0.897 1.00 0.00 C ATOM 0 HA PRO A 78 16.022 8.639 0.759 1.00 0.00 H new ATOM 0 HB2 PRO A 78 18.249 9.636 -0.487 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.673 10.004 -1.160 1.00 0.00 H new ATOM 0 HG2 PRO A 78 18.415 11.777 0.640 1.00 0.00 H new ATOM 0 HG3 PRO A 78 17.573 12.230 -0.828 1.00 0.00 H new ATOM 0 HD2 PRO A 78 16.486 12.715 1.669 1.00 0.00 H new ATOM 0 HD3 PRO A 78 15.471 12.414 0.272 1.00 0.00 H new ATOM 1264 N GLY A 79 17.253 7.783 2.591 1.00 0.00 N ATOM 1265 CA GLY A 79 18.020 7.154 3.682 1.00 0.00 C ATOM 1266 C GLY A 79 17.992 5.635 3.582 1.00 0.00 C ATOM 1267 O GLY A 79 17.333 4.925 4.334 1.00 0.00 O ATOM 0 H GLY A 79 16.436 7.247 2.298 1.00 0.00 H new ATOM 0 HA2 GLY A 79 19.052 7.503 3.650 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.609 7.464 4.643 1.00 0.00 H new TER 1271 GLY A 79