USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=19 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+ 167:sc= -0.048 (180deg=0.0325) USER MOD Set 1.2: A 39 SER OG : rot 34:sc= 1.21 USER MOD Set 2.1: A 14 LYS NZ :NH3+ -108:sc= 0.799 (180deg=-0.00239) USER MOD Set 2.2: A 44 SER OG : rot 43:sc= 0.0814 USER MOD Single : A 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0.536 K(o=0.54,f=-1.6) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 1.58 (180deg=1.58) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 171:sc= 0.725 (180deg=0.659) USER MOD Single : A 24 SER OG : rot 7:sc= 0.0452 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 34 TYR OH : rot 180:sc= 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= -0.0006 USER MOD Single : A 48 LYS NZ :NH3+ 129:sc= 1.25 (180deg=0.274) USER MOD Single : A 51 LYS NZ :NH3+ 176:sc= 0.201 (180deg=0.199) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0325 USER MOD Single : A 62 TYR OH : rot -30:sc= 0.321 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 175:sc= 2.05 (180deg=1.99) USER MOD Single : A 68 LYS NZ :NH3+ 167:sc= 1.21 (180deg=1.01) USER MOD Single : A 69 HIS : no HD1:sc=-0.00643 X(o=-0.0064,f=-0.07) USER MOD Single : A 73 LYS NZ :NH3+ 175:sc= 1.5 (180deg=1.36) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -10.682 8.242 -2.121 1.00 0.00 N ATOM 2 CA PHE A 1 -11.059 9.629 -2.490 1.00 0.00 C ATOM 3 C PHE A 1 -9.897 10.431 -3.157 1.00 0.00 C ATOM 4 O PHE A 1 -8.719 10.057 -3.108 1.00 0.00 O ATOM 5 CB PHE A 1 -11.658 10.358 -1.253 1.00 0.00 C ATOM 6 CG PHE A 1 -13.198 10.347 -1.241 1.00 0.00 C ATOM 7 CD1 PHE A 1 -13.919 11.261 -2.024 1.00 0.00 C ATOM 8 CD2 PHE A 1 -13.911 9.417 -0.464 1.00 0.00 C ATOM 9 CE1 PHE A 1 -15.314 11.245 -2.042 1.00 0.00 C ATOM 10 CE2 PHE A 1 -15.308 9.406 -0.478 1.00 0.00 C ATOM 11 CZ PHE A 1 -16.006 10.316 -1.267 1.00 0.00 C ATOM 0 H1 PHE A 1 -11.497 7.765 -1.684 1.00 0.00 H new ATOM 0 H2 PHE A 1 -10.394 7.722 -2.974 1.00 0.00 H new ATOM 0 H3 PHE A 1 -9.891 8.265 -1.446 1.00 0.00 H new ATOM 0 HA PHE A 1 -11.826 9.570 -3.262 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -11.289 9.884 -0.344 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -11.307 11.390 -1.240 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -13.387 11.987 -2.621 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -13.375 8.706 0.148 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -15.856 11.950 -2.655 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -15.847 8.690 0.124 1.00 0.00 H new ATOM 0 HZ PHE A 1 -17.086 10.302 -1.279 1.00 0.00 H new ATOM 22 N ASN A 2 -10.261 11.563 -3.793 1.00 0.00 N ATOM 23 CA ASN A 2 -9.295 12.436 -4.514 1.00 0.00 C ATOM 24 C ASN A 2 -8.218 13.134 -3.619 1.00 0.00 C ATOM 25 O ASN A 2 -7.074 13.237 -4.056 1.00 0.00 O ATOM 26 CB ASN A 2 -10.069 13.481 -5.353 1.00 0.00 C ATOM 27 CG ASN A 2 -9.371 13.920 -6.639 1.00 0.00 C ATOM 28 OD1 ASN A 2 -9.811 13.616 -7.739 1.00 0.00 O ATOM 29 ND2 ASN A 2 -8.263 14.622 -6.571 1.00 0.00 N ATOM 0 H ASN A 2 -11.223 11.901 -3.825 1.00 0.00 H new ATOM 0 HA ASN A 2 -8.720 11.769 -5.156 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -11.045 13.069 -5.609 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -10.247 14.361 -4.735 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -7.785 14.904 -7.427 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -7.881 14.885 -5.663 1.00 0.00 H new ATOM 36 N VAL A 3 -8.568 13.608 -2.418 1.00 0.00 N ATOM 37 CA VAL A 3 -7.571 13.841 -1.333 1.00 0.00 C ATOM 38 C VAL A 3 -7.657 12.688 -0.298 1.00 0.00 C ATOM 39 O VAL A 3 -8.712 12.469 0.309 1.00 0.00 O ATOM 40 CB VAL A 3 -7.703 15.285 -0.769 1.00 0.00 C ATOM 41 CG1 VAL A 3 -8.942 15.590 0.083 1.00 0.00 C ATOM 42 CG2 VAL A 3 -6.440 15.687 0.025 1.00 0.00 C ATOM 0 H VAL A 3 -9.527 13.841 -2.160 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.551 13.805 -1.714 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.824 15.884 -1.672 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.911 16.629 0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.841 15.424 -0.510 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.956 14.934 0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.558 16.701 0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.299 14.998 0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.570 15.646 -0.630 1.00 0.00 H new ATOM 52 N LYS A 4 -6.560 11.935 -0.110 1.00 0.00 N ATOM 53 CA LYS A 4 -6.496 10.889 0.945 1.00 0.00 C ATOM 54 C LYS A 4 -5.039 10.717 1.472 1.00 0.00 C ATOM 55 O LYS A 4 -4.143 10.282 0.741 1.00 0.00 O ATOM 56 CB LYS A 4 -7.089 9.534 0.462 1.00 0.00 C ATOM 57 CG LYS A 4 -8.437 9.153 1.117 1.00 0.00 C ATOM 58 CD LYS A 4 -8.323 8.787 2.611 1.00 0.00 C ATOM 59 CE LYS A 4 -9.685 8.382 3.198 1.00 0.00 C ATOM 60 NZ LYS A 4 -9.551 8.126 4.662 1.00 0.00 N ATOM 0 H LYS A 4 -5.709 12.024 -0.665 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.117 11.227 1.775 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.224 9.576 -0.619 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.366 8.743 0.663 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.131 9.987 1.009 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.866 8.309 0.578 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.615 7.967 2.733 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.925 9.637 3.165 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.415 9.172 3.023 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.056 7.488 2.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.475 7.853 5.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.868 7.358 4.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.216 8.989 5.136 1.00 0.00 H new ATOM 74 N GLN A 5 -4.855 11.006 2.764 1.00 0.00 N ATOM 75 CA GLN A 5 -3.563 10.843 3.475 1.00 0.00 C ATOM 76 C GLN A 5 -3.073 9.358 3.600 1.00 0.00 C ATOM 77 O GLN A 5 -3.780 8.398 3.277 1.00 0.00 O ATOM 78 CB GLN A 5 -3.726 11.511 4.871 1.00 0.00 C ATOM 79 CG GLN A 5 -3.576 13.047 4.902 1.00 0.00 C ATOM 80 CD GLN A 5 -4.678 13.883 4.266 1.00 0.00 C ATOM 81 OE1 GLN A 5 -5.820 13.471 4.079 1.00 0.00 O ATOM 82 NE2 GLN A 5 -4.373 15.108 3.917 1.00 0.00 N ATOM 0 H GLN A 5 -5.601 11.364 3.360 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.781 11.324 2.888 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.709 11.253 5.264 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.989 11.079 5.548 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.483 13.353 5.944 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.637 13.301 4.410 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.428 15.461 4.068 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.081 15.709 3.495 1.00 0.00 H new ATOM 91 N LYS A 6 -1.802 9.204 3.993 1.00 0.00 N ATOM 92 CA LYS A 6 -1.053 7.935 3.836 1.00 0.00 C ATOM 93 C LYS A 6 -1.475 6.796 4.809 1.00 0.00 C ATOM 94 O LYS A 6 -1.604 7.006 6.017 1.00 0.00 O ATOM 95 CB LYS A 6 0.462 8.257 3.909 1.00 0.00 C ATOM 96 CG LYS A 6 1.204 8.206 2.565 1.00 0.00 C ATOM 97 CD LYS A 6 0.958 9.330 1.546 1.00 0.00 C ATOM 98 CE LYS A 6 -0.372 9.301 0.779 1.00 0.00 C ATOM 99 NZ LYS A 6 -0.345 10.285 -0.331 1.00 0.00 N ATOM 0 H LYS A 6 -1.259 9.949 4.429 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.304 7.519 2.861 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.586 9.252 4.337 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.935 7.553 4.594 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.273 8.180 2.778 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.952 7.261 2.083 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.025 10.283 2.071 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.769 9.310 0.818 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.551 8.301 0.384 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.196 9.528 1.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.250 10.256 -0.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.195 11.239 0.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.429 10.050 -0.984 1.00 0.00 H new ATOM 113 N SER A 7 -1.667 5.595 4.243 1.00 0.00 N ATOM 114 CA SER A 7 -2.100 4.396 5.005 1.00 0.00 C ATOM 115 C SER A 7 -1.105 3.235 4.709 1.00 0.00 C ATOM 116 O SER A 7 -1.004 2.800 3.558 1.00 0.00 O ATOM 117 CB SER A 7 -3.533 3.968 4.576 1.00 0.00 C ATOM 118 OG SER A 7 -4.508 4.942 4.942 1.00 0.00 O ATOM 0 H SER A 7 -1.529 5.419 3.248 1.00 0.00 H new ATOM 0 HA SER A 7 -2.110 4.628 6.070 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.559 3.815 3.497 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.781 3.013 5.039 1.00 0.00 H new ATOM 0 HG SER A 7 -5.395 4.640 4.655 1.00 0.00 H new ATOM 124 N GLU A 8 -0.389 2.764 5.737 1.00 0.00 N ATOM 125 CA GLU A 8 0.618 1.678 5.594 1.00 0.00 C ATOM 126 C GLU A 8 0.169 0.447 6.433 1.00 0.00 C ATOM 127 O GLU A 8 0.201 0.494 7.668 1.00 0.00 O ATOM 128 CB GLU A 8 2.027 2.178 6.004 1.00 0.00 C ATOM 129 CG GLU A 8 2.572 3.289 5.080 1.00 0.00 C ATOM 130 CD GLU A 8 4.070 3.480 5.184 1.00 0.00 C ATOM 131 OE1 GLU A 8 4.823 2.570 4.779 1.00 0.00 O ATOM 132 OE2 GLU A 8 4.518 4.559 5.626 1.00 0.00 O ATOM 0 H GLU A 8 -0.482 3.115 6.690 1.00 0.00 H new ATOM 0 HA GLU A 8 0.684 1.375 4.549 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.989 2.552 7.027 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.720 1.337 5.997 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.315 3.051 4.048 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.076 4.229 5.323 1.00 0.00 H new ATOM 139 N ILE A 9 -0.292 -0.630 5.769 1.00 0.00 N ATOM 140 CA ILE A 9 -0.882 -1.813 6.469 1.00 0.00 C ATOM 141 C ILE A 9 -0.008 -3.085 6.204 1.00 0.00 C ATOM 142 O ILE A 9 0.499 -3.334 5.105 1.00 0.00 O ATOM 143 CB ILE A 9 -2.392 -1.990 6.091 1.00 0.00 C ATOM 144 CG1 ILE A 9 -3.305 -0.821 6.561 1.00 0.00 C ATOM 145 CG2 ILE A 9 -3.011 -3.338 6.526 1.00 0.00 C ATOM 146 CD1 ILE A 9 -3.424 -0.600 8.067 1.00 0.00 C ATOM 0 H ILE A 9 -0.273 -0.716 4.753 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.868 -1.648 7.546 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.361 -1.980 5.001 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.935 0.100 6.111 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.305 -0.991 6.163 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.058 -3.372 6.223 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.469 -4.157 6.053 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.943 -3.437 7.609 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.088 0.243 8.260 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.830 -1.496 8.535 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.439 -0.388 8.483 1.00 0.00 H new ATOM 158 N THR A 10 0.089 -3.906 7.255 1.00 0.00 N ATOM 159 CA THR A 10 0.941 -5.119 7.313 1.00 0.00 C ATOM 160 C THR A 10 0.440 -6.291 6.420 1.00 0.00 C ATOM 161 O THR A 10 -0.732 -6.363 6.033 1.00 0.00 O ATOM 162 CB THR A 10 0.984 -5.488 8.836 1.00 0.00 C ATOM 163 OG1 THR A 10 1.484 -4.397 9.608 1.00 0.00 O ATOM 164 CG2 THR A 10 1.863 -6.657 9.244 1.00 0.00 C ATOM 0 H THR A 10 -0.433 -3.749 8.117 1.00 0.00 H new ATOM 0 HA THR A 10 1.932 -4.924 6.904 1.00 0.00 H new ATOM 0 HB THR A 10 -0.057 -5.753 9.023 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.501 -4.647 10.555 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.799 -6.801 10.322 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.526 -7.561 8.736 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.896 -6.449 8.967 1.00 0.00 H new ATOM 172 N ALA A 11 1.351 -7.226 6.102 1.00 0.00 N ATOM 173 CA ALA A 11 1.059 -8.361 5.209 1.00 0.00 C ATOM 174 C ALA A 11 -0.042 -9.348 5.677 1.00 0.00 C ATOM 175 O ALA A 11 0.007 -9.898 6.777 1.00 0.00 O ATOM 176 CB ALA A 11 2.381 -9.103 4.947 1.00 0.00 C ATOM 0 H ALA A 11 2.308 -7.217 6.455 1.00 0.00 H new ATOM 0 HA ALA A 11 0.632 -7.933 4.302 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.198 -9.951 4.287 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.092 -8.424 4.476 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.791 -9.460 5.892 1.00 0.00 H new ATOM 182 N LEU A 12 -1.018 -9.564 4.788 1.00 0.00 N ATOM 183 CA LEU A 12 -2.131 -10.507 5.005 1.00 0.00 C ATOM 184 C LEU A 12 -1.881 -11.840 4.231 1.00 0.00 C ATOM 185 O LEU A 12 -1.176 -11.909 3.215 1.00 0.00 O ATOM 186 CB LEU A 12 -3.416 -9.771 4.526 1.00 0.00 C ATOM 187 CG LEU A 12 -4.758 -10.281 5.094 1.00 0.00 C ATOM 188 CD1 LEU A 12 -4.906 -9.995 6.596 1.00 0.00 C ATOM 189 CD2 LEU A 12 -5.920 -9.583 4.361 1.00 0.00 C ATOM 0 H LEU A 12 -1.062 -9.087 3.888 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.229 -10.792 6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.318 -8.715 4.779 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.460 -9.835 3.439 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.779 -11.361 4.945 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.867 -10.374 6.946 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.101 -10.488 7.141 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.855 -8.920 6.768 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.869 -9.941 4.760 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.848 -8.505 4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.866 -9.808 3.296 1.00 0.00 H new ATOM 201 N VAL A 13 -2.523 -12.895 4.729 1.00 0.00 N ATOM 202 CA VAL A 13 -2.633 -14.209 4.044 1.00 0.00 C ATOM 203 C VAL A 13 -3.195 -14.153 2.588 1.00 0.00 C ATOM 204 O VAL A 13 -4.021 -13.296 2.258 1.00 0.00 O ATOM 205 CB VAL A 13 -3.519 -15.194 4.898 1.00 0.00 C ATOM 206 CG1 VAL A 13 -2.810 -15.682 6.174 1.00 0.00 C ATOM 207 CG2 VAL A 13 -4.919 -14.662 5.256 1.00 0.00 C ATOM 0 H VAL A 13 -2.994 -12.874 5.634 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.607 -14.566 3.959 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.666 -16.039 4.226 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.469 -16.357 6.721 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.895 -16.209 5.903 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.564 -14.827 6.803 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.453 -15.409 5.843 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.822 -13.745 5.837 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.474 -14.455 4.341 1.00 0.00 H new ATOM 217 N LYS A 14 -2.763 -15.096 1.733 1.00 0.00 N ATOM 218 CA LYS A 14 -3.205 -15.120 0.313 1.00 0.00 C ATOM 219 C LYS A 14 -4.735 -15.417 0.143 1.00 0.00 C ATOM 220 O LYS A 14 -5.343 -16.245 0.838 1.00 0.00 O ATOM 221 CB LYS A 14 -2.289 -16.099 -0.464 1.00 0.00 C ATOM 222 CG LYS A 14 -2.444 -16.107 -2.002 1.00 0.00 C ATOM 223 CD LYS A 14 -1.932 -14.830 -2.695 1.00 0.00 C ATOM 224 CE LYS A 14 -2.298 -14.803 -4.189 1.00 0.00 C ATOM 225 NZ LYS A 14 -1.789 -13.543 -4.801 1.00 0.00 N ATOM 0 H LYS A 14 -2.118 -15.844 1.987 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.097 -14.123 -0.114 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.253 -15.860 -0.226 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.476 -17.108 -0.096 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.908 -16.966 -2.406 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.497 -16.244 -2.249 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.355 -13.955 -2.202 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.849 -14.766 -2.585 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.867 -15.666 -4.696 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.379 -14.869 -4.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.588 -12.910 -5.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.137 -13.075 -4.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.286 -13.764 -5.684 1.00 0.00 H new ATOM 239 N GLU A 15 -5.321 -14.685 -0.803 1.00 0.00 N ATOM 240 CA GLU A 15 -6.774 -14.705 -1.095 1.00 0.00 C ATOM 241 C GLU A 15 -7.069 -15.798 -2.172 1.00 0.00 C ATOM 242 O GLU A 15 -6.534 -15.758 -3.286 1.00 0.00 O ATOM 243 CB GLU A 15 -7.150 -13.277 -1.580 1.00 0.00 C ATOM 244 CG GLU A 15 -7.045 -12.186 -0.481 1.00 0.00 C ATOM 245 CD GLU A 15 -6.588 -10.819 -0.970 1.00 0.00 C ATOM 246 OE1 GLU A 15 -5.399 -10.683 -1.344 1.00 0.00 O ATOM 247 OE2 GLU A 15 -7.392 -9.864 -0.930 1.00 0.00 O ATOM 0 H GLU A 15 -4.800 -14.047 -1.405 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.372 -14.958 -0.220 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.499 -13.004 -2.411 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.170 -13.293 -1.965 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.019 -12.077 -0.005 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.352 -12.531 0.286 1.00 0.00 H new ATOM 254 N VAL A 16 -7.851 -16.818 -1.790 1.00 0.00 N ATOM 255 CA VAL A 16 -8.007 -18.075 -2.586 1.00 0.00 C ATOM 256 C VAL A 16 -9.499 -18.581 -2.470 1.00 0.00 C ATOM 257 O VAL A 16 -10.189 -18.303 -1.483 1.00 0.00 O ATOM 258 CB VAL A 16 -7.020 -19.246 -2.186 1.00 0.00 C ATOM 259 CG1 VAL A 16 -6.533 -19.998 -3.453 1.00 0.00 C ATOM 260 CG2 VAL A 16 -5.747 -18.875 -1.402 1.00 0.00 C ATOM 0 H VAL A 16 -8.396 -16.810 -0.928 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.748 -17.812 -3.612 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.639 -19.841 -1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.855 -20.800 -3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.390 -20.420 -3.978 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.011 -19.303 -4.111 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.169 -19.777 -1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.145 -18.184 -1.992 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.025 -18.402 -0.460 1.00 0.00 H new ATOM 270 N THR A 17 -9.974 -19.351 -3.465 1.00 0.00 N ATOM 271 CA THR A 17 -11.339 -19.970 -3.424 1.00 0.00 C ATOM 272 C THR A 17 -11.483 -21.123 -2.371 1.00 0.00 C ATOM 273 O THR A 17 -12.340 -20.945 -1.500 1.00 0.00 O ATOM 274 CB THR A 17 -11.804 -20.316 -4.863 1.00 0.00 C ATOM 275 OG1 THR A 17 -11.728 -19.152 -5.688 1.00 0.00 O ATOM 276 CG2 THR A 17 -13.251 -20.790 -4.964 1.00 0.00 C ATOM 0 H THR A 17 -9.446 -19.567 -4.310 1.00 0.00 H new ATOM 0 HA THR A 17 -12.042 -19.231 -3.040 1.00 0.00 H new ATOM 0 HB THR A 17 -11.143 -21.123 -5.178 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.021 -19.375 -6.596 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.490 -21.009 -6.005 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.382 -21.691 -4.364 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.916 -20.009 -4.596 1.00 0.00 H new ATOM 284 N PRO A 18 -10.729 -22.260 -2.339 1.00 0.00 N ATOM 285 CA PRO A 18 -10.795 -23.225 -1.191 1.00 0.00 C ATOM 286 C PRO A 18 -9.997 -22.775 0.078 1.00 0.00 C ATOM 287 O PRO A 18 -9.158 -21.869 -0.033 1.00 0.00 O ATOM 288 CB PRO A 18 -10.198 -24.496 -1.856 1.00 0.00 C ATOM 289 CG PRO A 18 -9.109 -23.945 -2.807 1.00 0.00 C ATOM 290 CD PRO A 18 -9.731 -22.647 -3.357 1.00 0.00 C ATOM 0 HA PRO A 18 -11.798 -23.345 -0.782 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -9.775 -25.173 -1.114 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -10.958 -25.056 -2.401 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.176 -23.750 -2.278 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.881 -24.650 -3.606 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.978 -21.871 -3.491 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -10.197 -22.810 -4.329 1.00 0.00 H new ATOM 298 N PRO A 19 -10.165 -23.398 1.281 1.00 0.00 N ATOM 299 CA PRO A 19 -9.410 -22.978 2.514 1.00 0.00 C ATOM 300 C PRO A 19 -7.911 -23.403 2.541 1.00 0.00 C ATOM 301 O PRO A 19 -7.474 -24.297 3.274 1.00 0.00 O ATOM 302 CB PRO A 19 -10.297 -23.559 3.648 1.00 0.00 C ATOM 303 CG PRO A 19 -11.002 -24.784 3.021 1.00 0.00 C ATOM 304 CD PRO A 19 -11.276 -24.328 1.579 1.00 0.00 C ATOM 0 HA PRO A 19 -9.281 -21.899 2.597 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.696 -23.849 4.510 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.021 -22.824 3.998 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -10.370 -25.671 3.050 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -11.924 -25.032 3.547 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -11.287 -25.172 0.889 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -12.244 -23.834 1.494 1.00 0.00 H new ATOM 312 N ARG A 20 -7.129 -22.714 1.705 1.00 0.00 N ATOM 313 CA ARG A 20 -5.652 -22.793 1.650 1.00 0.00 C ATOM 314 C ARG A 20 -5.064 -21.387 1.992 1.00 0.00 C ATOM 315 O ARG A 20 -5.509 -20.379 1.427 1.00 0.00 O ATOM 316 CB ARG A 20 -5.220 -23.205 0.212 1.00 0.00 C ATOM 317 CG ARG A 20 -4.525 -24.573 0.114 1.00 0.00 C ATOM 318 CD ARG A 20 -5.452 -25.788 -0.058 1.00 0.00 C ATOM 319 NE ARG A 20 -6.149 -26.133 1.207 1.00 0.00 N ATOM 320 CZ ARG A 20 -5.919 -27.197 1.970 1.00 0.00 C ATOM 321 NH1 ARG A 20 -5.132 -28.188 1.629 1.00 0.00 N ATOM 322 NH2 ARG A 20 -6.508 -27.251 3.128 1.00 0.00 N ATOM 0 H ARG A 20 -7.512 -22.061 1.021 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.284 -23.530 2.364 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.102 -23.215 -0.428 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.548 -22.443 -0.183 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.832 -24.547 -0.727 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.928 -24.721 1.014 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.189 -25.576 -0.833 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.870 -26.645 -0.397 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.876 -25.490 1.521 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.652 -28.172 0.729 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.000 -28.976 2.263 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.123 -26.492 3.423 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.356 -28.052 3.741 1.00 0.00 H new ATOM 336 N LYS A 21 -4.068 -21.313 2.890 1.00 0.00 N ATOM 337 CA LYS A 21 -3.506 -20.006 3.325 1.00 0.00 C ATOM 338 C LYS A 21 -1.957 -19.956 3.195 1.00 0.00 C ATOM 339 O LYS A 21 -1.223 -20.377 4.094 1.00 0.00 O ATOM 340 CB LYS A 21 -3.993 -19.631 4.754 1.00 0.00 C ATOM 341 CG LYS A 21 -5.512 -19.370 4.885 1.00 0.00 C ATOM 342 CD LYS A 21 -5.983 -18.102 4.147 1.00 0.00 C ATOM 343 CE LYS A 21 -7.340 -18.254 3.449 1.00 0.00 C ATOM 344 NZ LYS A 21 -7.575 -17.041 2.611 1.00 0.00 N ATOM 0 H LYS A 21 -3.635 -22.126 3.329 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.889 -19.246 2.644 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.719 -20.435 5.437 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.458 -18.739 5.080 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.056 -20.231 4.495 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.768 -19.283 5.941 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.043 -17.280 4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.233 -17.826 3.405 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.350 -19.151 2.830 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.135 -18.366 4.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.413 -17.189 2.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.731 -16.218 3.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.745 -16.870 2.008 1.00 0.00 H new ATOM 358 N ALA A 22 -1.484 -19.393 2.070 1.00 0.00 N ATOM 359 CA ALA A 22 -0.045 -19.143 1.845 1.00 0.00 C ATOM 360 C ALA A 22 0.455 -17.791 2.460 1.00 0.00 C ATOM 361 O ALA A 22 -0.277 -16.794 2.368 1.00 0.00 O ATOM 362 CB ALA A 22 0.179 -19.142 0.323 1.00 0.00 C ATOM 0 H ALA A 22 -2.080 -19.100 1.296 1.00 0.00 H new ATOM 0 HA ALA A 22 0.528 -19.924 2.345 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.232 -18.960 0.110 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.113 -20.108 -0.088 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.424 -18.357 -0.133 1.00 0.00 H new ATOM 368 N PRO A 23 1.690 -17.682 3.026 1.00 0.00 N ATOM 369 CA PRO A 23 2.217 -16.385 3.570 1.00 0.00 C ATOM 370 C PRO A 23 2.740 -15.414 2.474 1.00 0.00 C ATOM 371 O PRO A 23 3.948 -15.222 2.279 1.00 0.00 O ATOM 372 CB PRO A 23 3.303 -16.889 4.558 1.00 0.00 C ATOM 373 CG PRO A 23 3.846 -18.184 3.910 1.00 0.00 C ATOM 374 CD PRO A 23 2.589 -18.829 3.299 1.00 0.00 C ATOM 0 HA PRO A 23 1.460 -15.762 4.046 1.00 0.00 H new ATOM 0 HB2 PRO A 23 4.093 -16.150 4.690 1.00 0.00 H new ATOM 0 HB3 PRO A 23 2.882 -17.085 5.544 1.00 0.00 H new ATOM 0 HG2 PRO A 23 4.597 -17.969 3.150 1.00 0.00 H new ATOM 0 HG3 PRO A 23 4.315 -18.836 4.647 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.825 -19.376 2.386 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.131 -19.539 3.987 1.00 0.00 H new ATOM 382 N SER A 24 1.789 -14.781 1.775 1.00 0.00 N ATOM 383 CA SER A 24 2.083 -13.844 0.676 1.00 0.00 C ATOM 384 C SER A 24 2.679 -12.500 1.161 1.00 0.00 C ATOM 385 O SER A 24 2.175 -11.895 2.114 1.00 0.00 O ATOM 386 CB SER A 24 0.787 -13.613 -0.148 1.00 0.00 C ATOM 387 OG SER A 24 -0.282 -13.046 0.609 1.00 0.00 O ATOM 0 H SER A 24 0.792 -14.902 1.954 1.00 0.00 H new ATOM 0 HA SER A 24 2.852 -14.296 0.050 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.014 -12.956 -0.988 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.459 -14.564 -0.567 1.00 0.00 H new ATOM 0 HG SER A 24 0.041 -12.807 1.503 1.00 0.00 H new ATOM 393 N LYS A 25 3.733 -12.030 0.479 1.00 0.00 N ATOM 394 CA LYS A 25 4.378 -10.726 0.802 1.00 0.00 C ATOM 395 C LYS A 25 3.479 -9.547 0.316 1.00 0.00 C ATOM 396 O LYS A 25 3.538 -9.103 -0.834 1.00 0.00 O ATOM 397 CB LYS A 25 5.817 -10.663 0.233 1.00 0.00 C ATOM 398 CG LYS A 25 6.925 -11.170 1.185 1.00 0.00 C ATOM 399 CD LYS A 25 6.869 -12.681 1.459 1.00 0.00 C ATOM 400 CE LYS A 25 7.913 -13.133 2.489 1.00 0.00 C ATOM 401 NZ LYS A 25 7.733 -14.589 2.755 1.00 0.00 N ATOM 0 H LYS A 25 4.165 -12.525 -0.301 1.00 0.00 H new ATOM 0 HA LYS A 25 4.474 -10.631 1.884 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.853 -11.249 -0.685 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.038 -9.631 -0.039 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.897 -10.924 0.758 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.849 -10.636 2.132 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.874 -12.945 1.816 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.027 -13.222 0.526 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.919 -12.940 2.115 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.801 -12.565 3.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.437 -14.904 3.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.777 -14.758 3.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.859 -15.122 1.871 1.00 0.00 H new ATOM 415 N ALA A 26 2.624 -9.106 1.240 1.00 0.00 N ATOM 416 CA ALA A 26 1.545 -8.144 0.972 1.00 0.00 C ATOM 417 C ALA A 26 1.887 -6.790 1.622 1.00 0.00 C ATOM 418 O ALA A 26 2.208 -6.702 2.809 1.00 0.00 O ATOM 419 CB ALA A 26 0.266 -8.773 1.538 1.00 0.00 C ATOM 0 H ALA A 26 2.659 -9.410 2.213 1.00 0.00 H new ATOM 0 HA ALA A 26 1.412 -7.941 -0.091 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.576 -8.101 1.368 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.077 -9.724 1.040 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.386 -8.941 2.608 1.00 0.00 H new ATOM 425 N LYS A 27 1.861 -5.731 0.819 1.00 0.00 N ATOM 426 CA LYS A 27 2.197 -4.368 1.298 1.00 0.00 C ATOM 427 C LYS A 27 1.177 -3.365 0.700 1.00 0.00 C ATOM 428 O LYS A 27 0.972 -3.295 -0.521 1.00 0.00 O ATOM 429 CB LYS A 27 3.668 -4.044 0.966 1.00 0.00 C ATOM 430 CG LYS A 27 4.671 -4.575 2.020 1.00 0.00 C ATOM 431 CD LYS A 27 5.433 -5.829 1.569 1.00 0.00 C ATOM 432 CE LYS A 27 5.975 -6.695 2.725 1.00 0.00 C ATOM 433 NZ LYS A 27 6.985 -5.981 3.561 1.00 0.00 N ATOM 0 H LYS A 27 1.612 -5.777 -0.169 1.00 0.00 H new ATOM 0 HA LYS A 27 2.116 -4.295 2.383 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.915 -4.470 -0.006 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.783 -2.964 0.879 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.389 -3.789 2.254 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.132 -4.799 2.941 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.772 -6.439 0.953 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.267 -5.525 0.937 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.145 -7.010 3.357 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.424 -7.600 2.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.314 -6.610 4.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.793 -5.703 2.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.553 -5.132 3.977 1.00 0.00 H new ATOM 447 N ARG A 28 0.491 -2.654 1.606 1.00 0.00 N ATOM 448 CA ARG A 28 -0.632 -1.764 1.255 1.00 0.00 C ATOM 449 C ARG A 28 -0.188 -0.319 1.637 1.00 0.00 C ATOM 450 O ARG A 28 -0.229 0.048 2.813 1.00 0.00 O ATOM 451 CB ARG A 28 -1.938 -2.143 2.008 1.00 0.00 C ATOM 452 CG ARG A 28 -2.296 -3.637 2.090 1.00 0.00 C ATOM 453 CD ARG A 28 -3.714 -3.877 2.635 1.00 0.00 C ATOM 454 NE ARG A 28 -4.072 -5.292 2.358 1.00 0.00 N ATOM 455 CZ ARG A 28 -5.306 -5.772 2.243 1.00 0.00 C ATOM 456 NH1 ARG A 28 -6.378 -5.097 2.572 1.00 0.00 N ATOM 457 NH2 ARG A 28 -5.459 -6.978 1.779 1.00 0.00 N ATOM 0 H ARG A 28 0.697 -2.678 2.605 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.858 -1.852 0.192 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.865 -1.757 3.025 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.767 -1.623 1.528 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.212 -4.082 1.098 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.574 -4.145 2.730 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.751 -3.676 3.706 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.426 -3.202 2.159 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.303 -5.953 2.246 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.291 -4.149 2.939 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.300 -5.519 2.461 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.643 -7.530 1.514 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.395 -7.372 1.680 1.00 0.00 H new ATOM 471 N GLU A 29 0.275 0.451 0.651 1.00 0.00 N ATOM 472 CA GLU A 29 0.912 1.769 0.894 1.00 0.00 C ATOM 473 C GLU A 29 0.405 2.769 -0.187 1.00 0.00 C ATOM 474 O GLU A 29 0.371 2.449 -1.387 1.00 0.00 O ATOM 475 CB GLU A 29 2.463 1.690 0.868 1.00 0.00 C ATOM 476 CG GLU A 29 3.116 1.026 2.096 1.00 0.00 C ATOM 477 CD GLU A 29 3.570 -0.406 1.918 1.00 0.00 C ATOM 478 OE1 GLU A 29 4.500 -0.647 1.120 1.00 0.00 O ATOM 479 OE2 GLU A 29 3.016 -1.303 2.591 1.00 0.00 O ATOM 0 H GLU A 29 0.225 0.192 -0.334 1.00 0.00 H new ATOM 0 HA GLU A 29 0.634 2.108 1.892 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.766 1.141 -0.024 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.859 2.701 0.770 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.978 1.624 2.391 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.406 1.060 2.922 1.00 0.00 H new ATOM 486 N ALA A 30 0.012 3.974 0.253 1.00 0.00 N ATOM 487 CA ALA A 30 -0.433 5.047 -0.659 1.00 0.00 C ATOM 488 C ALA A 30 0.714 6.011 -1.089 1.00 0.00 C ATOM 489 O ALA A 30 1.194 6.744 -0.227 1.00 0.00 O ATOM 490 CB ALA A 30 -1.561 5.777 0.087 1.00 0.00 C ATOM 0 H ALA A 30 -0.008 4.234 1.239 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.779 4.628 -1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.941 6.589 -0.533 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.368 5.077 0.302 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.175 6.184 1.022 1.00 0.00 H new ATOM 496 N PRO A 31 1.158 6.102 -2.373 1.00 0.00 N ATOM 497 CA PRO A 31 2.262 7.049 -2.761 1.00 0.00 C ATOM 498 C PRO A 31 1.753 8.480 -3.072 1.00 0.00 C ATOM 499 O PRO A 31 1.543 9.263 -2.137 1.00 0.00 O ATOM 500 CB PRO A 31 2.973 6.243 -3.873 1.00 0.00 C ATOM 501 CG PRO A 31 1.843 5.450 -4.561 1.00 0.00 C ATOM 502 CD PRO A 31 0.922 5.058 -3.394 1.00 0.00 C ATOM 0 HA PRO A 31 2.973 7.317 -1.979 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.481 6.902 -4.577 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.729 5.577 -3.458 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.319 6.056 -5.300 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.227 4.573 -5.082 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.123 5.034 -3.703 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.165 4.066 -3.012 1.00 0.00 H new ATOM 510 N ILE A 32 1.558 8.843 -4.351 1.00 0.00 N ATOM 511 CA ILE A 32 1.264 10.238 -4.760 1.00 0.00 C ATOM 512 C ILE A 32 0.063 10.306 -5.753 1.00 0.00 C ATOM 513 O ILE A 32 0.031 9.616 -6.777 1.00 0.00 O ATOM 514 CB ILE A 32 2.503 11.013 -5.353 1.00 0.00 C ATOM 515 CG1 ILE A 32 3.264 10.301 -6.489 1.00 0.00 C ATOM 516 CG2 ILE A 32 3.456 11.422 -4.203 1.00 0.00 C ATOM 517 CD1 ILE A 32 4.307 11.169 -7.192 1.00 0.00 C ATOM 0 H ILE A 32 1.598 8.186 -5.131 1.00 0.00 H new ATOM 0 HA ILE A 32 0.995 10.747 -3.835 1.00 0.00 H new ATOM 0 HB ILE A 32 2.089 11.895 -5.842 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.758 9.419 -6.082 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.544 9.950 -7.228 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.312 11.958 -4.613 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.926 12.068 -3.503 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.802 10.529 -3.682 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.794 10.589 -7.976 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.819 12.038 -7.633 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.053 11.499 -6.469 1.00 0.00 H new ATOM 529 N LYS A 33 -0.873 11.221 -5.470 1.00 0.00 N ATOM 530 CA LYS A 33 -2.015 11.526 -6.375 1.00 0.00 C ATOM 531 C LYS A 33 -1.695 12.274 -7.709 1.00 0.00 C ATOM 532 O LYS A 33 -2.446 12.136 -8.674 1.00 0.00 O ATOM 533 CB LYS A 33 -3.066 12.289 -5.530 1.00 0.00 C ATOM 534 CG LYS A 33 -4.512 12.196 -6.034 1.00 0.00 C ATOM 535 CD LYS A 33 -5.150 10.805 -5.993 1.00 0.00 C ATOM 536 CE LYS A 33 -5.818 10.316 -4.691 1.00 0.00 C ATOM 537 NZ LYS A 33 -4.991 10.351 -3.446 1.00 0.00 N ATOM 0 H LYS A 33 -0.870 11.775 -4.613 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.381 10.570 -6.749 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.030 11.910 -4.509 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.781 13.340 -5.490 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.127 12.873 -5.441 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.541 12.557 -7.062 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.902 10.767 -6.781 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.377 10.083 -6.255 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.710 10.919 -4.521 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.152 9.290 -4.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.604 10.213 -2.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.280 9.593 -3.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.513 11.272 -3.373 1.00 0.00 H new ATOM 551 N TYR A 34 -0.594 13.037 -7.747 1.00 0.00 N ATOM 552 CA TYR A 34 -0.071 13.655 -8.999 1.00 0.00 C ATOM 553 C TYR A 34 0.410 12.653 -10.108 1.00 0.00 C ATOM 554 O TYR A 34 0.180 12.918 -11.288 1.00 0.00 O ATOM 555 CB TYR A 34 1.038 14.631 -8.540 1.00 0.00 C ATOM 556 CG TYR A 34 1.528 15.653 -9.575 1.00 0.00 C ATOM 557 CD1 TYR A 34 0.679 16.670 -10.041 1.00 0.00 C ATOM 558 CD2 TYR A 34 2.858 15.637 -10.014 1.00 0.00 C ATOM 559 CE1 TYR A 34 1.150 17.637 -10.932 1.00 0.00 C ATOM 560 CE2 TYR A 34 3.332 16.611 -10.893 1.00 0.00 C ATOM 561 CZ TYR A 34 2.476 17.612 -11.349 1.00 0.00 C ATOM 562 OH TYR A 34 2.942 18.567 -12.203 1.00 0.00 O ATOM 0 H TYR A 34 -0.035 13.250 -6.921 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.883 14.164 -9.518 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.673 15.176 -7.670 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.894 14.043 -8.211 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.348 16.705 -9.707 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.525 14.861 -9.668 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.484 18.405 -11.297 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.361 16.589 -11.220 1.00 0.00 H new ATOM 0 HH TYR A 34 3.889 18.403 -12.392 1.00 0.00 H new ATOM 572 N TRP A 35 1.039 11.525 -9.730 1.00 0.00 N ATOM 573 CA TRP A 35 1.322 10.402 -10.668 1.00 0.00 C ATOM 574 C TRP A 35 0.116 9.405 -10.808 1.00 0.00 C ATOM 575 O TRP A 35 -0.261 9.086 -11.937 1.00 0.00 O ATOM 576 CB TRP A 35 2.614 9.692 -10.194 1.00 0.00 C ATOM 577 CG TRP A 35 3.595 9.226 -11.311 1.00 0.00 C ATOM 578 CD1 TRP A 35 4.876 9.791 -11.545 1.00 0.00 C ATOM 579 CD2 TRP A 35 3.520 8.144 -12.205 1.00 0.00 C ATOM 580 NE1 TRP A 35 5.596 9.103 -12.535 1.00 0.00 N ATOM 581 CE2 TRP A 35 4.746 8.090 -12.929 1.00 0.00 C ATOM 582 CE3 TRP A 35 2.505 7.172 -12.457 1.00 0.00 C ATOM 583 CZ2 TRP A 35 4.959 7.064 -13.892 1.00 0.00 C ATOM 584 CZ3 TRP A 35 2.737 6.185 -13.411 1.00 0.00 C ATOM 585 CH2 TRP A 35 3.952 6.130 -14.119 1.00 0.00 C ATOM 0 H TRP A 35 1.366 11.358 -8.778 1.00 0.00 H new ATOM 0 HA TRP A 35 1.468 10.804 -11.670 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.150 10.367 -9.527 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.329 8.821 -9.604 1.00 0.00 H new ATOM 0 HD1 TRP A 35 5.255 10.655 -11.019 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.533 9.306 -12.883 1.00 0.00 H new ATOM 0 HE3 TRP A 35 1.571 7.202 -11.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 5.889 7.011 -14.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 1.972 5.449 -13.611 1.00 0.00 H new ATOM 0 HH2 TRP A 35 4.106 5.350 -14.850 1.00 0.00 H new ATOM 596 N LEU A 36 -0.444 8.887 -9.696 1.00 0.00 N ATOM 597 CA LEU A 36 -1.429 7.776 -9.723 1.00 0.00 C ATOM 598 C LEU A 36 -2.829 8.224 -9.183 1.00 0.00 C ATOM 599 O LEU A 36 -2.880 8.693 -8.040 1.00 0.00 O ATOM 600 CB LEU A 36 -0.894 6.597 -8.851 1.00 0.00 C ATOM 601 CG LEU A 36 0.382 5.903 -9.380 1.00 0.00 C ATOM 602 CD1 LEU A 36 0.982 4.998 -8.294 1.00 0.00 C ATOM 603 CD2 LEU A 36 0.115 5.072 -10.638 1.00 0.00 C ATOM 0 H LEU A 36 -0.231 9.222 -8.756 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.555 7.462 -10.759 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.693 6.972 -7.848 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.682 5.849 -8.760 1.00 0.00 H new ATOM 0 HG LEU A 36 1.086 6.692 -9.643 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.880 4.515 -8.678 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.238 5.598 -7.421 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.254 4.238 -8.011 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.043 4.605 -10.969 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.620 4.299 -10.414 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.268 5.719 -11.427 1.00 0.00 H new ATOM 615 N PRO A 37 -3.984 8.057 -9.889 1.00 0.00 N ATOM 616 CA PRO A 37 -5.318 8.529 -9.374 1.00 0.00 C ATOM 617 C PRO A 37 -5.891 7.874 -8.089 1.00 0.00 C ATOM 618 O PRO A 37 -6.694 8.511 -7.406 1.00 0.00 O ATOM 619 CB PRO A 37 -6.245 8.364 -10.609 1.00 0.00 C ATOM 620 CG PRO A 37 -5.576 7.261 -11.458 1.00 0.00 C ATOM 621 CD PRO A 37 -4.069 7.496 -11.255 1.00 0.00 C ATOM 0 HA PRO A 37 -5.221 9.548 -9.000 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.254 8.077 -10.311 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.330 9.296 -11.167 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.873 6.266 -11.125 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.854 7.342 -12.509 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.503 6.568 -11.343 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.667 8.186 -11.997 1.00 0.00 H new ATOM 629 N HIS A 38 -5.481 6.645 -7.738 1.00 0.00 N ATOM 630 CA HIS A 38 -5.789 6.040 -6.422 1.00 0.00 C ATOM 631 C HIS A 38 -4.463 5.775 -5.648 1.00 0.00 C ATOM 632 O HIS A 38 -3.741 4.815 -5.936 1.00 0.00 O ATOM 633 CB HIS A 38 -6.597 4.753 -6.709 1.00 0.00 C ATOM 634 CG HIS A 38 -7.219 4.104 -5.461 1.00 0.00 C ATOM 635 ND1 HIS A 38 -6.531 3.208 -4.659 1.00 0.00 N ATOM 636 CD2 HIS A 38 -8.512 4.321 -4.920 1.00 0.00 C ATOM 637 CE1 HIS A 38 -7.458 2.951 -3.686 1.00 0.00 C ATOM 638 NE2 HIS A 38 -8.675 3.578 -3.761 1.00 0.00 N ATOM 0 H HIS A 38 -4.930 6.042 -8.350 1.00 0.00 H new ATOM 0 HA HIS A 38 -6.382 6.696 -5.784 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -7.392 4.988 -7.417 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.943 4.028 -7.193 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -9.261 4.971 -5.349 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -7.236 2.270 -2.878 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -9.479 3.515 -3.136 1.00 0.00 H new ATOM 647 N SER A 39 -4.197 6.588 -4.619 1.00 0.00 N ATOM 648 CA SER A 39 -3.118 6.309 -3.644 1.00 0.00 C ATOM 649 C SER A 39 -3.566 5.246 -2.592 1.00 0.00 C ATOM 650 O SER A 39 -4.321 5.564 -1.665 1.00 0.00 O ATOM 651 CB SER A 39 -2.692 7.639 -2.972 1.00 0.00 C ATOM 652 OG SER A 39 -3.708 8.162 -2.115 1.00 0.00 O ATOM 0 H SER A 39 -4.712 7.449 -4.433 1.00 0.00 H new ATOM 0 HA SER A 39 -2.259 5.885 -4.165 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.781 7.477 -2.396 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.456 8.373 -3.742 1.00 0.00 H new ATOM 0 HG SER A 39 -4.191 7.422 -1.691 1.00 0.00 H new ATOM 658 N GLY A 40 -3.082 4.011 -2.754 1.00 0.00 N ATOM 659 CA GLY A 40 -3.332 2.905 -1.804 1.00 0.00 C ATOM 660 C GLY A 40 -3.612 1.598 -2.550 1.00 0.00 C ATOM 661 O GLY A 40 -4.767 1.329 -2.886 1.00 0.00 O ATOM 0 H GLY A 40 -2.502 3.742 -3.549 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.468 2.778 -1.152 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.180 3.153 -1.166 1.00 0.00 H new ATOM 665 N ALA A 41 -2.556 0.824 -2.836 1.00 0.00 N ATOM 666 CA ALA A 41 -2.665 -0.415 -3.644 1.00 0.00 C ATOM 667 C ALA A 41 -2.050 -1.637 -2.903 1.00 0.00 C ATOM 668 O ALA A 41 -0.863 -1.636 -2.555 1.00 0.00 O ATOM 669 CB ALA A 41 -1.972 -0.167 -4.995 1.00 0.00 C ATOM 0 H ALA A 41 -1.608 1.030 -2.521 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.715 -0.656 -3.807 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.039 -1.065 -5.609 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.462 0.660 -5.509 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.924 0.080 -4.826 1.00 0.00 H new ATOM 675 N THR A 42 -2.865 -2.679 -2.691 1.00 0.00 N ATOM 676 CA THR A 42 -2.421 -3.952 -2.064 1.00 0.00 C ATOM 677 C THR A 42 -1.799 -4.932 -3.093 1.00 0.00 C ATOM 678 O THR A 42 -2.522 -5.607 -3.830 1.00 0.00 O ATOM 679 CB THR A 42 -3.588 -4.586 -1.247 1.00 0.00 C ATOM 680 OG1 THR A 42 -3.122 -5.771 -0.598 1.00 0.00 O ATOM 681 CG2 THR A 42 -4.876 -4.959 -1.977 1.00 0.00 C ATOM 0 H THR A 42 -3.853 -2.673 -2.946 1.00 0.00 H new ATOM 0 HA THR A 42 -1.616 -3.725 -1.365 1.00 0.00 H new ATOM 0 HB THR A 42 -3.870 -3.772 -0.578 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.853 -6.171 -0.082 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.585 -5.387 -1.268 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.309 -4.067 -2.430 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.655 -5.690 -2.755 1.00 0.00 H new ATOM 689 N TRP A 43 -0.461 -5.050 -3.115 1.00 0.00 N ATOM 690 CA TRP A 43 0.213 -6.088 -3.947 1.00 0.00 C ATOM 691 C TRP A 43 0.490 -7.352 -3.080 1.00 0.00 C ATOM 692 O TRP A 43 1.498 -7.393 -2.371 1.00 0.00 O ATOM 693 CB TRP A 43 1.485 -5.481 -4.574 1.00 0.00 C ATOM 694 CG TRP A 43 2.083 -6.304 -5.778 1.00 0.00 C ATOM 695 CD1 TRP A 43 2.157 -7.723 -5.936 1.00 0.00 C ATOM 696 CD2 TRP A 43 2.717 -5.803 -6.922 1.00 0.00 C ATOM 697 NE1 TRP A 43 2.781 -8.097 -7.132 1.00 0.00 N ATOM 698 CE2 TRP A 43 3.151 -6.903 -7.711 1.00 0.00 C ATOM 699 CE3 TRP A 43 3.000 -4.468 -7.350 1.00 0.00 C ATOM 700 CZ2 TRP A 43 3.914 -6.678 -8.892 1.00 0.00 C ATOM 701 CZ3 TRP A 43 3.747 -4.275 -8.509 1.00 0.00 C ATOM 702 CH2 TRP A 43 4.207 -5.369 -9.267 1.00 0.00 C ATOM 0 H TRP A 43 0.174 -4.457 -2.581 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.426 -6.411 -4.769 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.258 -4.472 -4.919 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.247 -5.390 -3.800 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.774 -8.428 -5.213 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.928 -9.040 -7.493 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.640 -3.622 -6.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.260 -7.510 -9.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.977 -3.270 -8.832 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.797 -5.190 -10.154 1.00 0.00 H new ATOM 713 N SER A 44 -0.376 -8.380 -3.151 1.00 0.00 N ATOM 714 CA SER A 44 -0.192 -9.638 -2.371 1.00 0.00 C ATOM 715 C SER A 44 0.613 -10.728 -3.132 1.00 0.00 C ATOM 716 O SER A 44 0.049 -11.622 -3.772 1.00 0.00 O ATOM 717 CB SER A 44 -1.568 -10.123 -1.827 1.00 0.00 C ATOM 718 OG SER A 44 -2.528 -10.464 -2.832 1.00 0.00 O ATOM 0 H SER A 44 -1.211 -8.373 -3.737 1.00 0.00 H new ATOM 0 HA SER A 44 0.442 -9.418 -1.512 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.404 -10.993 -1.191 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.988 -9.341 -1.195 1.00 0.00 H new ATOM 0 HG SER A 44 -2.089 -10.974 -3.544 1.00 0.00 H new ATOM 724 N GLY A 45 1.953 -10.662 -3.049 1.00 0.00 N ATOM 725 CA GLY A 45 2.834 -11.629 -3.749 1.00 0.00 C ATOM 726 C GLY A 45 4.297 -11.179 -3.825 1.00 0.00 C ATOM 727 O GLY A 45 5.126 -11.647 -3.045 1.00 0.00 O ATOM 0 H GLY A 45 2.453 -9.956 -2.509 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.784 -12.590 -3.237 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.457 -11.786 -4.760 1.00 0.00 H new ATOM 731 N ARG A 46 4.600 -10.279 -4.770 1.00 0.00 N ATOM 732 CA ARG A 46 5.942 -9.630 -4.870 1.00 0.00 C ATOM 733 C ARG A 46 6.106 -8.506 -3.805 1.00 0.00 C ATOM 734 O ARG A 46 5.166 -7.763 -3.499 1.00 0.00 O ATOM 735 CB ARG A 46 6.057 -9.113 -6.324 1.00 0.00 C ATOM 736 CG ARG A 46 7.377 -8.483 -6.804 1.00 0.00 C ATOM 737 CD ARG A 46 7.605 -7.024 -6.361 1.00 0.00 C ATOM 738 NE ARG A 46 7.886 -6.121 -7.503 1.00 0.00 N ATOM 739 CZ ARG A 46 8.441 -4.915 -7.410 1.00 0.00 C ATOM 740 NH1 ARG A 46 8.872 -4.385 -6.290 1.00 0.00 N ATOM 741 NH2 ARG A 46 8.571 -4.218 -8.500 1.00 0.00 N ATOM 0 H ARG A 46 3.940 -9.974 -5.485 1.00 0.00 H new ATOM 0 HA ARG A 46 6.751 -10.329 -4.658 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.835 -9.950 -6.986 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.270 -8.373 -6.470 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.205 -9.091 -6.439 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.406 -8.525 -7.893 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.723 -6.667 -5.828 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.438 -6.987 -5.659 1.00 0.00 H new ATOM 0 HE ARG A 46 7.634 -6.451 -8.435 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.791 -4.904 -5.416 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.288 -3.454 -6.293 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.252 -4.600 -9.390 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.992 -3.290 -8.465 1.00 0.00 H new ATOM 755 N GLY A 47 7.342 -8.343 -3.305 1.00 0.00 N ATOM 756 CA GLY A 47 7.679 -7.248 -2.367 1.00 0.00 C ATOM 757 C GLY A 47 7.699 -5.835 -2.989 1.00 0.00 C ATOM 758 O GLY A 47 8.740 -5.340 -3.424 1.00 0.00 O ATOM 0 H GLY A 47 8.127 -8.953 -3.532 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.959 -7.257 -1.548 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.658 -7.451 -1.933 1.00 0.00 H new ATOM 762 N LYS A 48 6.524 -5.206 -3.015 1.00 0.00 N ATOM 763 CA LYS A 48 6.356 -3.784 -3.414 1.00 0.00 C ATOM 764 C LYS A 48 6.313 -2.894 -2.146 1.00 0.00 C ATOM 765 O LYS A 48 5.291 -2.827 -1.464 1.00 0.00 O ATOM 766 CB LYS A 48 5.101 -3.752 -4.320 1.00 0.00 C ATOM 767 CG LYS A 48 4.502 -2.380 -4.703 1.00 0.00 C ATOM 768 CD LYS A 48 3.421 -1.903 -3.712 1.00 0.00 C ATOM 769 CE LYS A 48 2.330 -1.024 -4.327 1.00 0.00 C ATOM 770 NZ LYS A 48 1.546 -0.420 -3.211 1.00 0.00 N ATOM 0 H LYS A 48 5.647 -5.661 -2.760 1.00 0.00 H new ATOM 0 HA LYS A 48 7.186 -3.370 -3.987 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.346 -4.276 -5.244 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.320 -4.328 -3.824 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.301 -1.639 -4.747 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.070 -2.443 -5.702 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.952 -2.777 -3.259 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.905 -1.348 -2.908 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.772 -0.245 -4.948 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.681 -1.616 -4.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.480 0.609 -3.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.590 -0.829 -3.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.020 -0.617 -2.307 1.00 0.00 H new ATOM 784 N ILE A 49 7.415 -2.190 -1.853 1.00 0.00 N ATOM 785 CA ILE A 49 7.452 -1.151 -0.787 1.00 0.00 C ATOM 786 C ILE A 49 7.859 0.186 -1.504 1.00 0.00 C ATOM 787 O ILE A 49 9.023 0.278 -1.916 1.00 0.00 O ATOM 788 CB ILE A 49 8.445 -1.475 0.388 1.00 0.00 C ATOM 789 CG1 ILE A 49 8.232 -2.845 1.090 1.00 0.00 C ATOM 790 CG2 ILE A 49 8.285 -0.388 1.509 1.00 0.00 C ATOM 791 CD1 ILE A 49 8.895 -4.038 0.409 1.00 0.00 C ATOM 0 H ILE A 49 8.304 -2.315 -2.337 1.00 0.00 H new ATOM 0 HA ILE A 49 6.475 -1.092 -0.307 1.00 0.00 H new ATOM 0 HB ILE A 49 9.427 -1.494 -0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.610 -2.774 2.110 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.161 -3.036 1.159 1.00 0.00 H new ATOM 0 HG21 ILE A 49 8.971 -0.606 2.328 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.512 0.595 1.097 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.261 -0.397 1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.686 -4.944 0.978 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.501 -4.145 -0.602 1.00 0.00 H new ATOM 0 HD13 ILE A 49 9.972 -3.879 0.364 1.00 0.00 H new ATOM 803 N PRO A 50 7.012 1.240 -1.660 1.00 0.00 N ATOM 804 CA PRO A 50 7.434 2.512 -2.343 1.00 0.00 C ATOM 805 C PRO A 50 8.222 3.534 -1.474 1.00 0.00 C ATOM 806 O PRO A 50 8.012 4.743 -1.568 1.00 0.00 O ATOM 807 CB PRO A 50 6.053 3.015 -2.843 1.00 0.00 C ATOM 808 CG PRO A 50 5.075 2.621 -1.710 1.00 0.00 C ATOM 809 CD PRO A 50 5.606 1.266 -1.208 1.00 0.00 C ATOM 0 HA PRO A 50 8.182 2.360 -3.121 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.057 4.092 -3.009 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.777 2.548 -3.788 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.067 3.365 -0.914 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.052 2.537 -2.078 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.535 1.187 -0.123 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.037 0.435 -1.626 1.00 0.00 H new ATOM 817 N LYS A 51 9.206 3.037 -0.714 1.00 0.00 N ATOM 818 CA LYS A 51 10.177 3.872 0.030 1.00 0.00 C ATOM 819 C LYS A 51 11.236 4.562 -0.879 1.00 0.00 C ATOM 820 O LYS A 51 11.266 5.790 -0.804 1.00 0.00 O ATOM 821 CB LYS A 51 10.780 3.083 1.220 1.00 0.00 C ATOM 822 CG LYS A 51 10.435 3.659 2.611 1.00 0.00 C ATOM 823 CD LYS A 51 8.943 3.576 2.983 1.00 0.00 C ATOM 824 CE LYS A 51 8.660 4.205 4.357 1.00 0.00 C ATOM 825 NZ LYS A 51 7.196 4.209 4.608 1.00 0.00 N ATOM 0 H LYS A 51 9.358 2.036 -0.593 1.00 0.00 H new ATOM 0 HA LYS A 51 9.626 4.711 0.454 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.430 2.052 1.171 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.864 3.057 1.110 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.015 3.127 3.365 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.748 4.702 2.646 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.350 4.084 2.222 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.628 2.533 2.989 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.172 3.643 5.138 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.048 5.223 4.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.009 4.572 5.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.726 4.818 3.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.827 3.240 4.527 1.00 0.00 H new ATOM 839 N PRO A 52 12.058 3.930 -1.769 1.00 0.00 N ATOM 840 CA PRO A 52 12.883 4.703 -2.761 1.00 0.00 C ATOM 841 C PRO A 52 12.126 5.558 -3.818 1.00 0.00 C ATOM 842 O PRO A 52 12.690 6.543 -4.296 1.00 0.00 O ATOM 843 CB PRO A 52 13.782 3.598 -3.369 1.00 0.00 C ATOM 844 CG PRO A 52 12.928 2.312 -3.277 1.00 0.00 C ATOM 845 CD PRO A 52 12.156 2.466 -1.954 1.00 0.00 C ATOM 0 HA PRO A 52 13.425 5.511 -2.270 1.00 0.00 H new ATOM 0 HB2 PRO A 52 14.048 3.825 -4.401 1.00 0.00 H new ATOM 0 HB3 PRO A 52 14.715 3.496 -2.815 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.250 2.222 -4.126 1.00 0.00 H new ATOM 0 HG3 PRO A 52 13.552 1.419 -3.272 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.171 2.003 -2.010 1.00 0.00 H new ATOM 0 HD3 PRO A 52 12.684 1.993 -1.126 1.00 0.00 H new ATOM 853 N PHE A 53 10.851 5.238 -4.125 1.00 0.00 N ATOM 854 CA PHE A 53 9.960 6.155 -4.879 1.00 0.00 C ATOM 855 C PHE A 53 9.506 7.369 -4.030 1.00 0.00 C ATOM 856 O PHE A 53 9.904 8.480 -4.372 1.00 0.00 O ATOM 857 CB PHE A 53 8.804 5.325 -5.485 1.00 0.00 C ATOM 858 CG PHE A 53 7.824 6.135 -6.355 1.00 0.00 C ATOM 859 CD1 PHE A 53 8.202 6.605 -7.625 1.00 0.00 C ATOM 860 CD2 PHE A 53 6.540 6.440 -5.881 1.00 0.00 C ATOM 861 CE1 PHE A 53 7.301 7.321 -8.416 1.00 0.00 C ATOM 862 CE2 PHE A 53 5.645 7.168 -6.666 1.00 0.00 C ATOM 863 CZ PHE A 53 6.022 7.598 -7.936 1.00 0.00 C ATOM 0 H PHE A 53 10.413 4.354 -3.864 1.00 0.00 H new ATOM 0 HA PHE A 53 10.506 6.615 -5.703 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.227 4.522 -6.088 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.247 4.855 -4.674 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.199 6.410 -7.992 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.241 6.108 -4.898 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.595 7.660 -9.399 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.660 7.398 -6.289 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.323 8.147 -8.549 1.00 0.00 H new ATOM 873 N GLU A 54 8.723 7.195 -2.945 1.00 0.00 N ATOM 874 CA GLU A 54 8.257 8.342 -2.107 1.00 0.00 C ATOM 875 C GLU A 54 9.374 9.193 -1.398 1.00 0.00 C ATOM 876 O GLU A 54 9.160 10.391 -1.189 1.00 0.00 O ATOM 877 CB GLU A 54 7.132 7.851 -1.147 1.00 0.00 C ATOM 878 CG GLU A 54 6.300 9.003 -0.557 1.00 0.00 C ATOM 879 CD GLU A 54 4.993 8.700 0.156 1.00 0.00 C ATOM 880 OE1 GLU A 54 4.605 7.524 0.317 1.00 0.00 O ATOM 881 OE2 GLU A 54 4.326 9.686 0.549 1.00 0.00 O ATOM 0 H GLU A 54 8.397 6.284 -2.623 1.00 0.00 H new ATOM 0 HA GLU A 54 7.848 9.080 -2.797 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.472 7.173 -1.687 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.580 7.280 -0.334 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.938 9.538 0.146 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.075 9.692 -1.371 1.00 0.00 H new ATOM 888 N ALA A 55 10.551 8.617 -1.111 1.00 0.00 N ATOM 889 CA ALA A 55 11.757 9.373 -0.707 1.00 0.00 C ATOM 890 C ALA A 55 12.395 10.249 -1.818 1.00 0.00 C ATOM 891 O ALA A 55 12.593 11.439 -1.579 1.00 0.00 O ATOM 892 CB ALA A 55 12.764 8.352 -0.163 1.00 0.00 C ATOM 0 H ALA A 55 10.699 7.609 -1.151 1.00 0.00 H new ATOM 0 HA ALA A 55 11.457 10.101 0.047 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.673 8.867 0.148 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.330 7.833 0.692 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.006 7.629 -0.942 1.00 0.00 H new ATOM 898 N TRP A 56 12.679 9.713 -3.023 1.00 0.00 N ATOM 899 CA TRP A 56 13.149 10.552 -4.165 1.00 0.00 C ATOM 900 C TRP A 56 12.069 11.503 -4.788 1.00 0.00 C ATOM 901 O TRP A 56 12.393 12.644 -5.121 1.00 0.00 O ATOM 902 CB TRP A 56 13.845 9.654 -5.210 1.00 0.00 C ATOM 903 CG TRP A 56 14.935 10.452 -6.004 1.00 0.00 C ATOM 904 CD1 TRP A 56 16.250 10.739 -5.549 1.00 0.00 C ATOM 905 CD2 TRP A 56 14.830 11.119 -7.230 1.00 0.00 C ATOM 906 NE1 TRP A 56 16.954 11.566 -6.439 1.00 0.00 N ATOM 907 CE2 TRP A 56 16.062 11.791 -7.469 1.00 0.00 C ATOM 908 CE3 TRP A 56 13.755 11.241 -8.166 1.00 0.00 C ATOM 909 CZ2 TRP A 56 16.222 12.587 -8.640 1.00 0.00 C ATOM 910 CZ3 TRP A 56 13.944 12.018 -9.306 1.00 0.00 C ATOM 911 CH2 TRP A 56 15.163 12.685 -9.540 1.00 0.00 C ATOM 0 H TRP A 56 12.596 8.719 -3.237 1.00 0.00 H new ATOM 0 HA TRP A 56 13.874 11.257 -3.759 1.00 0.00 H new ATOM 0 HB2 TRP A 56 14.305 8.801 -4.712 1.00 0.00 H new ATOM 0 HB3 TRP A 56 13.104 9.256 -5.903 1.00 0.00 H new ATOM 0 HD1 TRP A 56 16.661 10.364 -4.624 1.00 0.00 H new ATOM 0 HE1 TRP A 56 17.906 11.920 -6.346 1.00 0.00 H new ATOM 0 HE3 TRP A 56 12.814 10.740 -7.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 17.150 13.107 -8.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 13.142 12.111 -10.023 1.00 0.00 H new ATOM 0 HH2 TRP A 56 15.278 13.282 -10.432 1.00 0.00 H new ATOM 922 N ILE A 57 10.788 11.096 -4.818 1.00 0.00 N ATOM 923 CA ILE A 57 9.625 12.046 -4.934 1.00 0.00 C ATOM 924 C ILE A 57 9.419 13.021 -3.695 1.00 0.00 C ATOM 925 O ILE A 57 8.459 13.796 -3.674 1.00 0.00 O ATOM 926 CB ILE A 57 8.387 11.177 -5.324 1.00 0.00 C ATOM 927 CG1 ILE A 57 8.492 10.486 -6.726 1.00 0.00 C ATOM 928 CG2 ILE A 57 6.989 11.789 -5.227 1.00 0.00 C ATOM 929 CD1 ILE A 57 8.572 11.400 -7.942 1.00 0.00 C ATOM 0 H ILE A 57 10.513 10.115 -4.764 1.00 0.00 H new ATOM 0 HA ILE A 57 9.818 12.783 -5.713 1.00 0.00 H new ATOM 0 HB ILE A 57 8.463 10.456 -4.510 1.00 0.00 H new ATOM 0 HG12 ILE A 57 9.375 9.847 -6.724 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.627 9.834 -6.848 1.00 0.00 H new ATOM 0 HG21 ILE A 57 6.247 11.052 -5.534 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.795 12.092 -4.198 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.927 12.660 -5.880 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.641 10.796 -8.847 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.679 12.023 -7.988 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.454 12.036 -7.862 1.00 0.00 H new ATOM 941 N GLY A 58 10.291 13.025 -2.680 1.00 0.00 N ATOM 942 CA GLY A 58 10.356 14.084 -1.648 1.00 0.00 C ATOM 943 C GLY A 58 11.674 14.877 -1.529 1.00 0.00 C ATOM 944 O GLY A 58 11.585 16.053 -1.178 1.00 0.00 O ATOM 0 H GLY A 58 10.982 12.287 -2.544 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.552 14.794 -1.842 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.150 13.625 -0.681 1.00 0.00 H new ATOM 948 N THR A 59 12.846 14.282 -1.823 1.00 0.00 N ATOM 949 CA THR A 59 14.192 14.939 -1.702 1.00 0.00 C ATOM 950 C THR A 59 14.295 16.416 -2.222 1.00 0.00 C ATOM 951 O THR A 59 14.803 17.284 -1.514 1.00 0.00 O ATOM 952 CB THR A 59 15.259 14.023 -2.409 1.00 0.00 C ATOM 953 OG1 THR A 59 15.213 12.696 -1.903 1.00 0.00 O ATOM 954 CG2 THR A 59 16.705 14.474 -2.222 1.00 0.00 C ATOM 0 H THR A 59 12.901 13.320 -2.157 1.00 0.00 H new ATOM 0 HA THR A 59 14.381 15.036 -0.633 1.00 0.00 H new ATOM 0 HB THR A 59 14.990 14.087 -3.463 1.00 0.00 H new ATOM 0 HG1 THR A 59 15.885 12.148 -2.360 1.00 0.00 H new ATOM 0 HG21 THR A 59 17.371 13.786 -2.742 1.00 0.00 H new ATOM 0 HG22 THR A 59 16.829 15.477 -2.630 1.00 0.00 H new ATOM 0 HG23 THR A 59 16.949 14.482 -1.160 1.00 0.00 H new ATOM 962 N ALA A 60 13.794 16.656 -3.438 1.00 0.00 N ATOM 963 CA ALA A 60 13.540 18.020 -3.960 1.00 0.00 C ATOM 964 C ALA A 60 12.065 18.281 -4.420 1.00 0.00 C ATOM 965 O ALA A 60 11.610 19.422 -4.334 1.00 0.00 O ATOM 966 CB ALA A 60 14.535 18.276 -5.101 1.00 0.00 C ATOM 0 H ALA A 60 13.550 15.915 -4.095 1.00 0.00 H new ATOM 0 HA ALA A 60 13.686 18.723 -3.140 1.00 0.00 H new ATOM 0 HB1 ALA A 60 14.373 19.274 -5.507 1.00 0.00 H new ATOM 0 HB2 ALA A 60 15.553 18.200 -4.720 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.386 17.536 -5.887 1.00 0.00 H new ATOM 972 N ALA A 61 11.321 17.262 -4.884 1.00 0.00 N ATOM 973 CA ALA A 61 9.911 17.411 -5.304 1.00 0.00 C ATOM 974 C ALA A 61 8.857 17.848 -4.248 1.00 0.00 C ATOM 975 O ALA A 61 7.870 18.468 -4.643 1.00 0.00 O ATOM 976 CB ALA A 61 9.507 16.076 -5.940 1.00 0.00 C ATOM 0 H ALA A 61 11.677 16.311 -4.980 1.00 0.00 H new ATOM 0 HA ALA A 61 9.896 18.265 -5.982 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.470 16.129 -6.270 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.150 15.871 -6.796 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.614 15.277 -5.207 1.00 0.00 H new ATOM 982 N TYR A 62 9.069 17.575 -2.948 1.00 0.00 N ATOM 983 CA TYR A 62 8.163 18.028 -1.849 1.00 0.00 C ATOM 984 C TYR A 62 7.746 19.530 -1.867 1.00 0.00 C ATOM 985 O TYR A 62 6.554 19.806 -1.732 1.00 0.00 O ATOM 986 CB TYR A 62 8.793 17.626 -0.494 1.00 0.00 C ATOM 987 CG TYR A 62 7.869 17.716 0.734 1.00 0.00 C ATOM 988 CD1 TYR A 62 6.719 16.911 0.844 1.00 0.00 C ATOM 989 CD2 TYR A 62 8.172 18.587 1.792 1.00 0.00 C ATOM 990 CE1 TYR A 62 5.897 16.982 1.974 1.00 0.00 C ATOM 991 CE2 TYR A 62 7.358 18.648 2.925 1.00 0.00 C ATOM 992 CZ TYR A 62 6.223 17.846 3.016 1.00 0.00 C ATOM 993 OH TYR A 62 5.429 17.958 4.122 1.00 0.00 O ATOM 0 H TYR A 62 9.869 17.035 -2.618 1.00 0.00 H new ATOM 0 HA TYR A 62 7.214 17.518 -2.013 1.00 0.00 H new ATOM 0 HB2 TYR A 62 9.157 16.602 -0.575 1.00 0.00 H new ATOM 0 HB3 TYR A 62 9.662 18.260 -0.317 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.468 16.229 0.045 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.046 19.218 1.729 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.011 16.368 2.038 1.00 0.00 H new ATOM 0 HE2 TYR A 62 7.609 19.319 3.733 1.00 0.00 H new ATOM 0 HH TYR A 62 4.497 17.782 3.875 1.00 0.00 H new ATOM 1003 N THR A 63 8.682 20.471 -2.090 1.00 0.00 N ATOM 1004 CA THR A 63 8.332 21.913 -2.287 1.00 0.00 C ATOM 1005 C THR A 63 7.389 22.238 -3.493 1.00 0.00 C ATOM 1006 O THR A 63 6.468 23.045 -3.339 1.00 0.00 O ATOM 1007 CB THR A 63 9.610 22.789 -2.212 1.00 0.00 C ATOM 1008 OG1 THR A 63 9.237 24.154 -2.065 1.00 0.00 O ATOM 1009 CG2 THR A 63 10.583 22.727 -3.381 1.00 0.00 C ATOM 0 H THR A 63 9.681 20.274 -2.140 1.00 0.00 H new ATOM 0 HA THR A 63 7.687 22.183 -1.451 1.00 0.00 H new ATOM 0 HB THR A 63 10.144 22.366 -1.361 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.043 24.710 -2.016 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.426 23.390 -3.188 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.945 21.706 -3.500 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.076 23.041 -4.293 1.00 0.00 H new ATOM 1017 N ALA A 64 7.567 21.566 -4.647 1.00 0.00 N ATOM 1018 CA ALA A 64 6.586 21.634 -5.759 1.00 0.00 C ATOM 1019 C ALA A 64 5.251 20.862 -5.516 1.00 0.00 C ATOM 1020 O ALA A 64 4.185 21.400 -5.827 1.00 0.00 O ATOM 1021 CB ALA A 64 7.311 21.148 -7.024 1.00 0.00 C ATOM 0 H ALA A 64 8.374 20.972 -4.838 1.00 0.00 H new ATOM 0 HA ALA A 64 6.251 22.667 -5.857 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.626 21.181 -7.871 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.166 21.793 -7.224 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.656 20.125 -6.875 1.00 0.00 H new ATOM 1027 N TRP A 65 5.319 19.646 -4.957 1.00 0.00 N ATOM 1028 CA TRP A 65 4.147 18.859 -4.506 1.00 0.00 C ATOM 1029 C TRP A 65 3.192 19.544 -3.476 1.00 0.00 C ATOM 1030 O TRP A 65 1.973 19.498 -3.653 1.00 0.00 O ATOM 1031 CB TRP A 65 4.704 17.516 -3.952 1.00 0.00 C ATOM 1032 CG TRP A 65 3.807 16.322 -4.352 1.00 0.00 C ATOM 1033 CD1 TRP A 65 4.016 15.501 -5.481 1.00 0.00 C ATOM 1034 CD2 TRP A 65 2.605 15.883 -3.791 1.00 0.00 C ATOM 1035 NE1 TRP A 65 2.980 14.581 -5.654 1.00 0.00 N ATOM 1036 CE2 TRP A 65 2.117 14.833 -4.607 1.00 0.00 C ATOM 1037 CE3 TRP A 65 1.857 16.309 -2.645 1.00 0.00 C ATOM 1038 CZ2 TRP A 65 0.885 14.208 -4.293 1.00 0.00 C ATOM 1039 CZ3 TRP A 65 0.660 15.662 -2.353 1.00 0.00 C ATOM 1040 CH2 TRP A 65 0.172 14.629 -3.178 1.00 0.00 C ATOM 0 H TRP A 65 6.205 19.166 -4.799 1.00 0.00 H new ATOM 0 HA TRP A 65 3.494 18.730 -5.369 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.714 17.356 -4.330 1.00 0.00 H new ATOM 0 HB3 TRP A 65 4.775 17.571 -2.866 1.00 0.00 H new ATOM 0 HD1 TRP A 65 4.874 15.575 -6.133 1.00 0.00 H new ATOM 0 HE1 TRP A 65 2.883 13.880 -6.389 1.00 0.00 H new ATOM 0 HE3 TRP A 65 2.215 17.115 -2.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 0.504 13.412 -4.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.096 15.956 -1.480 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.770 14.158 -2.940 1.00 0.00 H new ATOM 1051 N LYS A 66 3.757 20.183 -2.447 1.00 0.00 N ATOM 1052 CA LYS A 66 3.004 20.985 -1.449 1.00 0.00 C ATOM 1053 C LYS A 66 2.193 22.205 -2.003 1.00 0.00 C ATOM 1054 O LYS A 66 1.117 22.488 -1.473 1.00 0.00 O ATOM 1055 CB LYS A 66 4.015 21.422 -0.350 1.00 0.00 C ATOM 1056 CG LYS A 66 4.461 20.284 0.600 1.00 0.00 C ATOM 1057 CD LYS A 66 3.447 19.911 1.686 1.00 0.00 C ATOM 1058 CE LYS A 66 3.331 20.946 2.812 1.00 0.00 C ATOM 1059 NZ LYS A 66 2.235 20.510 3.706 1.00 0.00 N ATOM 0 H LYS A 66 4.762 20.164 -2.272 1.00 0.00 H new ATOM 0 HA LYS A 66 2.216 20.344 -1.055 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.897 21.843 -0.832 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.566 22.219 0.243 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.675 19.397 0.004 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.394 20.578 1.081 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.468 19.779 1.225 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.728 18.950 2.117 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.269 21.020 3.363 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.122 21.935 2.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.184 21.145 4.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.333 20.540 3.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.417 19.538 4.029 1.00 0.00 H new ATOM 1073 N ALA A 67 2.652 22.871 -3.078 1.00 0.00 N ATOM 1074 CA ALA A 67 1.790 23.768 -3.884 1.00 0.00 C ATOM 1075 C ALA A 67 0.618 23.100 -4.680 1.00 0.00 C ATOM 1076 O ALA A 67 -0.437 23.725 -4.792 1.00 0.00 O ATOM 1077 CB ALA A 67 2.715 24.563 -4.814 1.00 0.00 C ATOM 0 H ALA A 67 3.614 22.808 -3.412 1.00 0.00 H new ATOM 0 HA ALA A 67 1.251 24.402 -3.179 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.120 25.239 -5.428 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.421 25.141 -4.218 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.262 23.875 -5.458 1.00 0.00 H new ATOM 1083 N LYS A 68 0.773 21.871 -5.216 1.00 0.00 N ATOM 1084 CA LYS A 68 -0.376 21.131 -5.822 1.00 0.00 C ATOM 1085 C LYS A 68 -1.410 20.518 -4.809 1.00 0.00 C ATOM 1086 O LYS A 68 -2.608 20.572 -5.095 1.00 0.00 O ATOM 1087 CB LYS A 68 0.111 20.012 -6.787 1.00 0.00 C ATOM 1088 CG LYS A 68 0.823 20.519 -8.063 1.00 0.00 C ATOM 1089 CD LYS A 68 2.266 20.004 -8.165 1.00 0.00 C ATOM 1090 CE LYS A 68 3.179 20.807 -9.102 1.00 0.00 C ATOM 1091 NZ LYS A 68 3.515 22.117 -8.470 1.00 0.00 N ATOM 0 H LYS A 68 1.661 21.370 -5.246 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.913 21.909 -6.366 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.792 19.355 -6.245 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.747 19.408 -7.082 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.262 20.200 -8.941 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.827 21.609 -8.066 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.706 20.002 -7.168 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.243 18.969 -8.505 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.091 20.246 -9.307 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.683 20.970 -10.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.297 22.563 -8.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.682 22.739 -8.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.801 21.963 -7.482 1.00 0.00 H new ATOM 1105 N HIS A 69 -0.973 19.891 -3.707 1.00 0.00 N ATOM 1106 CA HIS A 69 -1.887 19.226 -2.731 1.00 0.00 C ATOM 1107 C HIS A 69 -1.467 19.525 -1.239 1.00 0.00 C ATOM 1108 O HIS A 69 -0.272 19.718 -0.994 1.00 0.00 O ATOM 1109 CB HIS A 69 -1.917 17.707 -3.029 1.00 0.00 C ATOM 1110 CG HIS A 69 -3.241 17.155 -3.588 1.00 0.00 C ATOM 1111 ND1 HIS A 69 -3.851 16.038 -3.043 1.00 0.00 N ATOM 1112 CD2 HIS A 69 -4.000 17.600 -4.705 1.00 0.00 C ATOM 1113 CE1 HIS A 69 -4.934 15.892 -3.863 1.00 0.00 C ATOM 1114 NE2 HIS A 69 -5.110 16.786 -4.883 1.00 0.00 N ATOM 0 H HIS A 69 0.014 19.824 -3.457 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.892 19.631 -2.847 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -1.123 17.481 -3.740 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.683 17.172 -2.109 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -3.749 18.448 -5.325 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.637 15.087 -3.709 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.852 16.840 -5.581 1.00 0.00 H new ATOM 1123 N PRO A 70 -2.381 19.565 -0.223 1.00 0.00 N ATOM 1124 CA PRO A 70 -2.113 20.292 1.075 1.00 0.00 C ATOM 1125 C PRO A 70 -1.041 19.680 1.993 1.00 0.00 C ATOM 1126 O PRO A 70 0.108 20.127 1.957 1.00 0.00 O ATOM 1127 CB PRO A 70 -3.536 20.471 1.665 1.00 0.00 C ATOM 1128 CG PRO A 70 -4.354 19.300 1.065 1.00 0.00 C ATOM 1129 CD PRO A 70 -3.810 19.201 -0.372 1.00 0.00 C ATOM 0 HA PRO A 70 -1.614 21.249 0.926 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.522 20.429 2.754 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.962 21.436 1.389 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.201 18.374 1.620 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.424 19.506 1.079 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.929 18.197 -0.778 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.330 19.881 -1.046 1.00 0.00 H new ATOM 1137 N ASP A 71 -1.359 18.658 2.793 1.00 0.00 N ATOM 1138 CA ASP A 71 -0.362 17.634 3.193 1.00 0.00 C ATOM 1139 C ASP A 71 -0.988 16.230 2.962 1.00 0.00 C ATOM 1140 O ASP A 71 -1.400 15.532 3.894 1.00 0.00 O ATOM 1141 CB ASP A 71 0.101 17.900 4.637 1.00 0.00 C ATOM 1142 CG ASP A 71 1.450 17.256 4.951 1.00 0.00 C ATOM 1143 OD1 ASP A 71 2.459 17.668 4.339 1.00 0.00 O ATOM 1144 OD2 ASP A 71 1.523 16.358 5.807 1.00 0.00 O ATOM 0 H ASP A 71 -2.291 18.509 3.180 1.00 0.00 H new ATOM 0 HA ASP A 71 0.542 17.681 2.586 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.170 18.976 4.800 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.649 17.520 5.331 1.00 0.00 H new ATOM 1149 N GLU A 72 -1.071 15.830 1.684 1.00 0.00 N ATOM 1150 CA GLU A 72 -1.447 14.443 1.319 1.00 0.00 C ATOM 1151 C GLU A 72 -0.239 13.424 1.342 1.00 0.00 C ATOM 1152 O GLU A 72 -0.410 12.286 1.778 1.00 0.00 O ATOM 1153 CB GLU A 72 -2.125 14.401 -0.077 1.00 0.00 C ATOM 1154 CG GLU A 72 -3.076 13.198 -0.216 1.00 0.00 C ATOM 1155 CD GLU A 72 -3.327 12.717 -1.625 1.00 0.00 C ATOM 1156 OE1 GLU A 72 -2.567 11.849 -2.109 1.00 0.00 O ATOM 1157 OE2 GLU A 72 -4.317 13.156 -2.244 1.00 0.00 O ATOM 0 H GLU A 72 -0.885 16.438 0.886 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.149 14.125 2.090 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.681 15.324 -0.239 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.359 14.350 -0.851 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.670 12.369 0.364 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.033 13.462 0.233 1.00 0.00 H new ATOM 1164 N LYS A 73 0.916 13.831 0.792 1.00 0.00 N ATOM 1165 CA LYS A 73 2.141 12.990 0.670 1.00 0.00 C ATOM 1166 C LYS A 73 2.993 13.024 1.958 1.00 0.00 C ATOM 1167 O LYS A 73 3.158 14.076 2.584 1.00 0.00 O ATOM 1168 CB LYS A 73 2.850 13.549 -0.587 1.00 0.00 C ATOM 1169 CG LYS A 73 4.156 12.881 -1.032 1.00 0.00 C ATOM 1170 CD LYS A 73 5.402 13.542 -0.422 1.00 0.00 C ATOM 1171 CE LYS A 73 6.604 12.605 -0.276 1.00 0.00 C ATOM 1172 NZ LYS A 73 7.204 12.213 -1.567 1.00 0.00 N ATOM 0 H LYS A 73 1.038 14.769 0.410 1.00 0.00 H new ATOM 0 HA LYS A 73 1.930 11.927 0.554 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.147 13.496 -1.418 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.057 14.605 -0.412 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.134 11.828 -0.750 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.226 12.919 -2.119 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.690 14.390 -1.043 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.144 13.939 0.560 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.363 13.093 0.335 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.293 11.708 0.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.061 11.649 -1.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.521 11.647 -2.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.454 13.066 -2.107 1.00 0.00 H new ATOM 1186 N PHE A 74 3.559 11.871 2.341 1.00 0.00 N ATOM 1187 CA PHE A 74 4.277 11.744 3.636 1.00 0.00 C ATOM 1188 C PHE A 74 5.695 12.398 3.602 1.00 0.00 C ATOM 1189 O PHE A 74 6.413 12.170 2.624 1.00 0.00 O ATOM 1190 CB PHE A 74 4.349 10.235 3.969 1.00 0.00 C ATOM 1191 CG PHE A 74 4.627 9.924 5.446 1.00 0.00 C ATOM 1192 CD1 PHE A 74 3.555 9.791 6.344 1.00 0.00 C ATOM 1193 CD2 PHE A 74 5.936 9.790 5.931 1.00 0.00 C ATOM 1194 CE1 PHE A 74 3.791 9.533 7.695 1.00 0.00 C ATOM 1195 CE2 PHE A 74 6.171 9.536 7.283 1.00 0.00 C ATOM 1196 CZ PHE A 74 5.096 9.404 8.163 1.00 0.00 C ATOM 0 H PHE A 74 3.539 11.016 1.785 1.00 0.00 H new ATOM 0 HA PHE A 74 3.737 12.284 4.413 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.407 9.767 3.683 1.00 0.00 H new ATOM 0 HB3 PHE A 74 5.130 9.778 3.361 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.541 9.889 5.986 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.770 9.884 5.252 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.961 9.433 8.378 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.183 9.442 7.648 1.00 0.00 H new ATOM 0 HZ PHE A 74 5.277 9.202 9.208 1.00 0.00 H new ATOM 1206 N PRO A 75 6.165 13.166 4.619 1.00 0.00 N ATOM 1207 CA PRO A 75 7.524 13.810 4.585 1.00 0.00 C ATOM 1208 C PRO A 75 8.721 12.824 4.711 1.00 0.00 C ATOM 1209 O PRO A 75 9.312 12.630 5.776 1.00 0.00 O ATOM 1210 CB PRO A 75 7.402 14.859 5.723 1.00 0.00 C ATOM 1211 CG PRO A 75 6.357 14.272 6.700 1.00 0.00 C ATOM 1212 CD PRO A 75 5.348 13.569 5.784 1.00 0.00 C ATOM 0 HA PRO A 75 7.769 14.255 3.621 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.360 15.017 6.218 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.080 15.826 5.336 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.814 13.574 7.401 1.00 0.00 H new ATOM 0 HG3 PRO A 75 5.881 15.053 7.293 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.894 12.708 6.273 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.536 14.236 5.494 1.00 0.00 H new ATOM 1220 N ALA A 76 9.054 12.203 3.569 1.00 0.00 N ATOM 1221 CA ALA A 76 10.050 11.119 3.484 1.00 0.00 C ATOM 1222 C ALA A 76 11.403 11.586 2.879 1.00 0.00 C ATOM 1223 O ALA A 76 11.461 12.196 1.804 1.00 0.00 O ATOM 1224 CB ALA A 76 9.432 10.011 2.611 1.00 0.00 C ATOM 0 H ALA A 76 8.637 12.440 2.669 1.00 0.00 H new ATOM 0 HA ALA A 76 10.280 10.765 4.489 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.137 9.184 2.520 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.512 9.654 3.074 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.210 10.409 1.621 1.00 0.00 H new ATOM 1230 N PHE A 77 12.485 11.252 3.584 1.00 0.00 N ATOM 1231 CA PHE A 77 13.874 11.590 3.182 1.00 0.00 C ATOM 1232 C PHE A 77 14.616 10.421 2.442 1.00 0.00 C ATOM 1233 O PHE A 77 14.247 9.259 2.654 1.00 0.00 O ATOM 1234 CB PHE A 77 14.622 12.062 4.467 1.00 0.00 C ATOM 1235 CG PHE A 77 15.059 10.972 5.470 1.00 0.00 C ATOM 1236 CD1 PHE A 77 14.181 10.499 6.460 1.00 0.00 C ATOM 1237 CD2 PHE A 77 16.337 10.398 5.376 1.00 0.00 C ATOM 1238 CE1 PHE A 77 14.571 9.471 7.321 1.00 0.00 C ATOM 1239 CE2 PHE A 77 16.725 9.368 6.234 1.00 0.00 C ATOM 1240 CZ PHE A 77 15.839 8.906 7.206 1.00 0.00 C ATOM 0 H PHE A 77 12.434 10.734 4.461 1.00 0.00 H new ATOM 0 HA PHE A 77 13.854 12.388 2.440 1.00 0.00 H new ATOM 0 HB2 PHE A 77 15.511 12.612 4.158 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.978 12.767 4.993 1.00 0.00 H new ATOM 0 HD1 PHE A 77 13.197 10.934 6.556 1.00 0.00 H new ATOM 0 HD2 PHE A 77 17.029 10.759 4.629 1.00 0.00 H new ATOM 0 HE1 PHE A 77 13.888 9.113 8.077 1.00 0.00 H new ATOM 0 HE2 PHE A 77 17.708 8.930 6.145 1.00 0.00 H new ATOM 0 HZ PHE A 77 16.136 8.109 7.871 1.00 0.00 H new ATOM 1250 N PRO A 78 15.695 10.644 1.643 1.00 0.00 N ATOM 1251 CA PRO A 78 16.502 9.524 1.053 1.00 0.00 C ATOM 1252 C PRO A 78 17.428 8.818 2.081 1.00 0.00 C ATOM 1253 O PRO A 78 18.453 9.365 2.502 1.00 0.00 O ATOM 1254 CB PRO A 78 17.259 10.260 -0.084 1.00 0.00 C ATOM 1255 CG PRO A 78 17.477 11.687 0.467 1.00 0.00 C ATOM 1256 CD PRO A 78 16.173 11.984 1.229 1.00 0.00 C ATOM 0 HA PRO A 78 15.903 8.685 0.700 1.00 0.00 H new ATOM 0 HB2 PRO A 78 18.207 9.772 -0.312 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.677 10.274 -1.006 1.00 0.00 H new ATOM 0 HG2 PRO A 78 18.345 11.735 1.124 1.00 0.00 H new ATOM 0 HG3 PRO A 78 17.645 12.405 -0.335 1.00 0.00 H new ATOM 0 HD2 PRO A 78 16.350 12.629 2.089 1.00 0.00 H new ATOM 0 HD3 PRO A 78 15.445 12.491 0.595 1.00 0.00 H new ATOM 1264 N GLY A 79 17.042 7.594 2.476 1.00 0.00 N ATOM 1265 CA GLY A 79 17.773 6.823 3.501 1.00 0.00 C ATOM 1266 C GLY A 79 17.790 5.332 3.187 1.00 0.00 C ATOM 1267 O GLY A 79 17.368 4.482 3.965 1.00 0.00 O ATOM 0 H GLY A 79 16.224 7.113 2.100 1.00 0.00 H new ATOM 0 HA2 GLY A 79 18.797 7.191 3.570 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.310 6.984 4.475 1.00 0.00 H new TER 1271 GLY A 79