USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 541 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 ASN : amide:sc= -0.79 K(o=-0.79,f=-2) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0363 K(o=-0.036,f=-1.8!) USER MOD Single : A 12 LYS NZ :NH3+ 144:sc= -0.0612 (180deg=-1.45!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.484) USER MOD Single : A 17 THR OG1 : rot -60:sc= 0.83 USER MOD Single : A 19 THR OG1 : rot -14:sc= 0.815 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0387 X(o=-0.039,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0.642 K(o=0.64,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= -0.233 USER MOD Single : A 50 ASN : amide:sc= -0.016 X(o=-0.016,f=-0.016) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0448 USER MOD Single : A 60 MET CE :methyl 152:sc= -0.172 (180deg=-0.733) USER MOD Single : A 61 LYS NZ :NH3+ -120:sc= -0.203 (180deg=-1.61!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 4.265 -13.912 -0.030 1.00 53.52 N ATOM 2 CA PRO A 1 4.754 -13.577 -1.371 1.00 74.42 C ATOM 3 C PRO A 1 3.912 -12.498 -2.043 1.00 34.11 C ATOM 4 O PRO A 1 2.702 -12.656 -2.210 1.00 41.41 O ATOM 5 CB PRO A 1 4.634 -14.900 -2.132 1.00 73.12 C ATOM 6 CG PRO A 1 3.560 -15.650 -1.422 1.00 51.30 C ATOM 7 CD PRO A 1 3.668 -15.257 0.025 1.00 3.34 C ATOM 0 H2 PRO A 1 3.572 -13.222 0.259 1.00 53.52 H new ATOM 0 H3 PRO A 1 5.036 -13.857 0.635 1.00 53.52 H new ATOM 0 HA PRO A 1 5.766 -13.173 -1.347 1.00 74.42 H new ATOM 0 HB2 PRO A 1 4.375 -14.733 -3.178 1.00 73.12 H new ATOM 0 HB3 PRO A 1 5.575 -15.450 -2.120 1.00 73.12 H new ATOM 0 HG2 PRO A 1 2.578 -15.398 -1.823 1.00 51.30 H new ATOM 0 HG3 PRO A 1 3.688 -16.725 -1.545 1.00 51.30 H new ATOM 0 HD2 PRO A 1 2.693 -15.244 0.512 1.00 3.34 H new ATOM 0 HD3 PRO A 1 4.294 -15.952 0.584 1.00 3.34 H new ATOM 15 N ARG A 2 4.559 -11.402 -2.426 1.00 73.44 N ATOM 16 CA ARG A 2 3.869 -10.297 -3.079 1.00 55.35 C ATOM 17 C ARG A 2 3.659 -10.587 -4.563 1.00 12.22 C ATOM 18 O ARG A 2 2.526 -10.651 -5.039 1.00 2.24 O ATOM 19 CB ARG A 2 4.663 -9.000 -2.910 1.00 32.32 C ATOM 20 CG ARG A 2 3.898 -7.757 -3.334 1.00 34.33 C ATOM 21 CD ARG A 2 2.866 -7.356 -2.291 1.00 40.52 C ATOM 22 NE ARG A 2 3.472 -7.125 -0.982 1.00 74.33 N ATOM 23 CZ ARG A 2 2.769 -6.943 0.131 1.00 65.54 C ATOM 24 NH1 ARG A 2 1.444 -6.965 0.093 1.00 23.53 N ATOM 25 NH2 ARG A 2 3.393 -6.740 1.284 1.00 10.30 N ATOM 0 H ARG A 2 5.560 -11.256 -2.295 1.00 73.44 H new ATOM 0 HA ARG A 2 2.893 -10.182 -2.607 1.00 55.35 H new ATOM 0 HB2 ARG A 2 4.956 -8.897 -1.865 1.00 32.32 H new ATOM 0 HB3 ARG A 2 5.581 -9.068 -3.493 1.00 32.32 H new ATOM 0 HG2 ARG A 2 4.596 -6.935 -3.492 1.00 34.33 H new ATOM 0 HG3 ARG A 2 3.402 -7.941 -4.287 1.00 34.33 H new ATOM 0 HD2 ARG A 2 2.353 -6.451 -2.618 1.00 40.52 H new ATOM 0 HD3 ARG A 2 2.111 -8.138 -2.208 1.00 40.52 H new ATOM 0 HE ARG A 2 4.490 -7.102 -0.919 1.00 74.33 H new ATOM 0 HH11 ARG A 2 0.962 -7.122 -0.792 1.00 23.53 H new ATOM 0 HH12 ARG A 2 0.907 -6.825 0.949 1.00 23.53 H new ATOM 0 HH21 ARG A 2 4.412 -6.724 1.316 1.00 10.30 H new ATOM 0 HH22 ARG A 2 2.853 -6.600 2.138 1.00 10.30 H new ATOM 39 N ASN A 3 4.759 -10.761 -5.288 1.00 1.13 N ATOM 40 CA ASN A 3 4.696 -11.043 -6.717 1.00 71.12 C ATOM 41 C ASN A 3 5.757 -12.064 -7.118 1.00 12.24 C ATOM 42 O ASN A 3 6.753 -12.248 -6.418 1.00 21.44 O ATOM 43 CB ASN A 3 4.882 -9.755 -7.521 1.00 44.22 C ATOM 44 CG ASN A 3 4.198 -8.566 -6.875 1.00 1.31 C ATOM 45 OD1 ASN A 3 2.988 -8.579 -6.649 1.00 21.34 O ATOM 46 ND2 ASN A 3 4.972 -7.529 -6.575 1.00 21.22 N ATOM 0 H ASN A 3 5.705 -10.712 -4.909 1.00 1.13 H new ATOM 0 HA ASN A 3 3.714 -11.461 -6.936 1.00 71.12 H new ATOM 0 HB2 ASN A 3 5.947 -9.546 -7.625 1.00 44.22 H new ATOM 0 HB3 ASN A 3 4.485 -9.897 -8.526 1.00 44.22 H new ATOM 0 HD21 ASN A 3 4.568 -6.700 -6.139 1.00 21.22 H new ATOM 0 HD22 ASN A 3 5.971 -7.562 -6.780 1.00 21.22 H new ATOM 53 N THR A 4 5.537 -12.725 -8.250 1.00 34.13 N ATOM 54 CA THR A 4 6.472 -13.727 -8.744 1.00 22.32 C ATOM 55 C THR A 4 7.713 -13.074 -9.342 1.00 55.24 C ATOM 56 O THR A 4 8.794 -13.662 -9.348 1.00 41.11 O ATOM 57 CB THR A 4 5.818 -14.631 -9.806 1.00 45.24 C ATOM 58 OG1 THR A 4 5.545 -13.875 -10.991 1.00 54.51 O ATOM 59 CG2 THR A 4 4.529 -15.241 -9.279 1.00 13.14 C ATOM 0 H THR A 4 4.719 -12.584 -8.842 1.00 34.13 H new ATOM 0 HA THR A 4 6.763 -14.337 -7.889 1.00 22.32 H new ATOM 0 HB THR A 4 6.512 -15.438 -10.042 1.00 45.24 H new ATOM 0 HG1 THR A 4 5.131 -14.457 -11.662 1.00 54.51 H new ATOM 0 HG21 THR A 4 4.086 -15.875 -10.047 1.00 13.14 H new ATOM 0 HG22 THR A 4 4.745 -15.840 -8.394 1.00 13.14 H new ATOM 0 HG23 THR A 4 3.831 -14.446 -9.017 1.00 13.14 H new ATOM 67 N ARG A 5 7.549 -11.854 -9.845 1.00 21.32 N ATOM 68 CA ARG A 5 8.656 -11.121 -10.446 1.00 64.24 C ATOM 69 C ARG A 5 9.846 -11.055 -9.493 1.00 41.32 C ATOM 70 O ARG A 5 10.998 -11.015 -9.925 1.00 74.11 O ATOM 71 CB ARG A 5 8.213 -9.707 -10.825 1.00 44.15 C ATOM 72 CG ARG A 5 7.090 -9.674 -11.849 1.00 62.31 C ATOM 73 CD ARG A 5 7.542 -10.231 -13.190 1.00 21.41 C ATOM 74 NE ARG A 5 8.737 -9.556 -13.688 1.00 63.24 N ATOM 75 CZ ARG A 5 8.713 -8.385 -14.314 1.00 15.53 C ATOM 76 NH1 ARG A 5 7.560 -7.761 -14.516 1.00 32.35 N ATOM 77 NH2 ARG A 5 9.843 -7.834 -14.738 1.00 54.41 N ATOM 0 H ARG A 5 6.660 -11.353 -9.848 1.00 21.32 H new ATOM 0 HA ARG A 5 8.964 -11.652 -11.347 1.00 64.24 H new ATOM 0 HB2 ARG A 5 7.888 -9.184 -9.926 1.00 44.15 H new ATOM 0 HB3 ARG A 5 9.070 -9.161 -11.220 1.00 44.15 H new ATOM 0 HG2 ARG A 5 6.243 -10.253 -11.480 1.00 62.31 H new ATOM 0 HG3 ARG A 5 6.744 -8.649 -11.978 1.00 62.31 H new ATOM 0 HD2 ARG A 5 7.743 -11.298 -13.090 1.00 21.41 H new ATOM 0 HD3 ARG A 5 6.736 -10.125 -13.917 1.00 21.41 H new ATOM 0 HE ARG A 5 9.640 -10.009 -13.547 1.00 63.24 H new ATOM 0 HH11 ARG A 5 6.689 -8.180 -14.190 1.00 32.35 H new ATOM 0 HH12 ARG A 5 7.544 -6.862 -14.997 1.00 32.35 H new ATOM 0 HH21 ARG A 5 10.732 -8.310 -14.583 1.00 54.41 H new ATOM 0 HH22 ARG A 5 9.823 -6.935 -15.219 1.00 54.41 H new ATOM 91 N GLU A 6 9.558 -11.042 -8.195 1.00 62.44 N ATOM 92 CA GLU A 6 10.605 -10.979 -7.182 1.00 73.20 C ATOM 93 C GLU A 6 11.495 -12.217 -7.241 1.00 71.33 C ATOM 94 O GLU A 6 11.116 -13.291 -6.775 1.00 35.52 O ATOM 95 CB GLU A 6 9.988 -10.847 -5.788 1.00 22.32 C ATOM 96 CG GLU A 6 9.672 -9.414 -5.395 1.00 41.13 C ATOM 97 CD GLU A 6 9.197 -9.293 -3.960 1.00 75.25 C ATOM 98 OE1 GLU A 6 8.569 -10.251 -3.462 1.00 13.12 O ATOM 99 OE2 GLU A 6 9.452 -8.242 -3.337 1.00 34.14 O ATOM 0 H GLU A 6 8.610 -11.074 -7.821 1.00 62.44 H new ATOM 0 HA GLU A 6 11.219 -10.102 -7.385 1.00 73.20 H new ATOM 0 HB2 GLU A 6 9.072 -11.436 -5.748 1.00 22.32 H new ATOM 0 HB3 GLU A 6 10.673 -11.273 -5.055 1.00 22.32 H new ATOM 0 HG2 GLU A 6 10.562 -8.799 -5.532 1.00 41.13 H new ATOM 0 HG3 GLU A 6 8.906 -9.019 -6.062 1.00 41.13 H new ATOM 106 N VAL A 7 12.681 -12.059 -7.819 1.00 44.34 N ATOM 107 CA VAL A 7 13.627 -13.162 -7.940 1.00 73.20 C ATOM 108 C VAL A 7 13.831 -13.860 -6.600 1.00 0.31 C ATOM 109 O VAL A 7 14.076 -15.065 -6.546 1.00 75.22 O ATOM 110 CB VAL A 7 14.990 -12.678 -8.468 1.00 4.15 C ATOM 111 CG1 VAL A 7 15.948 -13.849 -8.625 1.00 45.21 C ATOM 112 CG2 VAL A 7 14.819 -11.938 -9.785 1.00 50.43 C ATOM 0 H VAL A 7 13.010 -11.177 -8.211 1.00 44.34 H new ATOM 0 HA VAL A 7 13.201 -13.868 -8.653 1.00 73.20 H new ATOM 0 HB VAL A 7 15.416 -11.986 -7.742 1.00 4.15 H new ATOM 0 HG11 VAL A 7 16.906 -13.488 -8.999 1.00 45.21 H new ATOM 0 HG12 VAL A 7 16.094 -14.331 -7.659 1.00 45.21 H new ATOM 0 HG13 VAL A 7 15.531 -14.568 -9.330 1.00 45.21 H new ATOM 0 HG21 VAL A 7 15.792 -11.603 -10.143 1.00 50.43 H new ATOM 0 HG22 VAL A 7 14.371 -12.605 -10.522 1.00 50.43 H new ATOM 0 HG23 VAL A 7 14.171 -11.075 -9.636 1.00 50.43 H new ATOM 122 N PHE A 8 13.729 -13.094 -5.519 1.00 12.22 N ATOM 123 CA PHE A 8 13.903 -13.638 -4.177 1.00 52.01 C ATOM 124 C PHE A 8 12.985 -14.836 -3.953 1.00 32.02 C ATOM 125 O PHE A 8 13.343 -15.783 -3.253 1.00 74.25 O ATOM 126 CB PHE A 8 13.621 -12.562 -3.127 1.00 2.43 C ATOM 127 CG PHE A 8 13.879 -13.016 -1.719 1.00 25.04 C ATOM 128 CD1 PHE A 8 12.830 -13.378 -0.890 1.00 12.33 C ATOM 129 CD2 PHE A 8 15.172 -13.081 -1.224 1.00 0.03 C ATOM 130 CE1 PHE A 8 13.064 -13.797 0.406 1.00 10.45 C ATOM 131 CE2 PHE A 8 15.412 -13.500 0.071 1.00 4.53 C ATOM 132 CZ PHE A 8 14.357 -13.857 0.888 1.00 40.42 C ATOM 0 H PHE A 8 13.527 -12.095 -5.546 1.00 12.22 H new ATOM 0 HA PHE A 8 14.936 -13.970 -4.078 1.00 52.01 H new ATOM 0 HB2 PHE A 8 14.239 -11.689 -3.338 1.00 2.43 H new ATOM 0 HB3 PHE A 8 12.582 -12.245 -3.213 1.00 2.43 H new ATOM 0 HD1 PHE A 8 11.817 -13.332 -1.261 1.00 12.33 H new ATOM 0 HD2 PHE A 8 16.001 -12.801 -1.857 1.00 0.03 H new ATOM 0 HE1 PHE A 8 12.237 -14.077 1.041 1.00 10.45 H new ATOM 0 HE2 PHE A 8 16.424 -13.548 0.444 1.00 4.53 H new ATOM 0 HZ PHE A 8 14.543 -14.182 1.901 1.00 40.42 H new ATOM 142 N ALA A 9 11.799 -14.786 -4.551 1.00 42.42 N ATOM 143 CA ALA A 9 10.830 -15.866 -4.419 1.00 20.24 C ATOM 144 C ALA A 9 11.303 -17.120 -5.146 1.00 72.03 C ATOM 145 O ALA A 9 11.138 -18.235 -4.651 1.00 54.45 O ATOM 146 CB ALA A 9 9.473 -15.426 -4.948 1.00 62.12 C ATOM 0 H ALA A 9 11.486 -14.008 -5.132 1.00 42.42 H new ATOM 0 HA ALA A 9 10.734 -16.107 -3.360 1.00 20.24 H new ATOM 0 HB1 ALA A 9 8.759 -16.243 -4.843 1.00 62.12 H new ATOM 0 HB2 ALA A 9 9.123 -14.564 -4.380 1.00 62.12 H new ATOM 0 HB3 ALA A 9 9.563 -15.156 -6.000 1.00 62.12 H new ATOM 152 N GLN A 10 11.890 -16.929 -6.323 1.00 63.52 N ATOM 153 CA GLN A 10 12.385 -18.046 -7.119 1.00 64.51 C ATOM 154 C GLN A 10 13.355 -18.902 -6.312 1.00 25.54 C ATOM 155 O GLN A 10 13.447 -20.113 -6.513 1.00 62.53 O ATOM 156 CB GLN A 10 13.072 -17.533 -8.386 1.00 5.25 C ATOM 157 CG GLN A 10 12.160 -16.712 -9.282 1.00 40.14 C ATOM 158 CD GLN A 10 12.705 -16.563 -10.689 1.00 75.24 C ATOM 159 OE1 GLN A 10 13.632 -17.269 -11.086 1.00 61.24 O ATOM 160 NE2 GLN A 10 12.129 -15.641 -11.453 1.00 23.42 N ATOM 0 H GLN A 10 12.034 -16.012 -6.746 1.00 63.52 H new ATOM 0 HA GLN A 10 11.532 -18.663 -7.401 1.00 64.51 H new ATOM 0 HB2 GLN A 10 13.932 -16.926 -8.103 1.00 5.25 H new ATOM 0 HB3 GLN A 10 13.454 -18.383 -8.952 1.00 5.25 H new ATOM 0 HG2 GLN A 10 11.178 -17.184 -9.325 1.00 40.14 H new ATOM 0 HG3 GLN A 10 12.020 -15.724 -8.844 1.00 40.14 H new ATOM 0 HE21 GLN A 10 11.363 -15.078 -11.083 1.00 23.42 H new ATOM 0 HE22 GLN A 10 12.453 -15.496 -12.409 1.00 23.42 H new ATOM 169 N VAL A 11 14.079 -18.265 -5.396 1.00 73.13 N ATOM 170 CA VAL A 11 15.042 -18.968 -4.557 1.00 71.24 C ATOM 171 C VAL A 11 14.343 -19.944 -3.618 1.00 32.15 C ATOM 172 O VAL A 11 14.865 -21.018 -3.318 1.00 64.04 O ATOM 173 CB VAL A 11 15.884 -17.984 -3.724 1.00 62.11 C ATOM 174 CG1 VAL A 11 16.979 -18.724 -2.970 1.00 12.51 C ATOM 175 CG2 VAL A 11 16.476 -16.903 -4.616 1.00 3.05 C ATOM 0 H VAL A 11 14.016 -17.263 -5.217 1.00 73.13 H new ATOM 0 HA VAL A 11 15.701 -19.521 -5.226 1.00 71.24 H new ATOM 0 HB VAL A 11 15.234 -17.504 -2.993 1.00 62.11 H new ATOM 0 HG11 VAL A 11 17.564 -18.013 -2.387 1.00 12.51 H new ATOM 0 HG12 VAL A 11 16.528 -19.458 -2.301 1.00 12.51 H new ATOM 0 HG13 VAL A 11 17.630 -19.233 -3.681 1.00 12.51 H new ATOM 0 HG21 VAL A 11 17.068 -16.216 -4.011 1.00 3.05 H new ATOM 0 HG22 VAL A 11 17.113 -17.363 -5.371 1.00 3.05 H new ATOM 0 HG23 VAL A 11 15.671 -16.354 -5.106 1.00 3.05 H new ATOM 185 N LYS A 12 13.157 -19.564 -3.154 1.00 71.03 N ATOM 186 CA LYS A 12 12.383 -20.405 -2.249 1.00 61.31 C ATOM 187 C LYS A 12 12.030 -21.734 -2.910 1.00 31.14 C ATOM 188 O LYS A 12 11.902 -22.757 -2.237 1.00 1.42 O ATOM 189 CB LYS A 12 11.105 -19.683 -1.816 1.00 22.31 C ATOM 190 CG LYS A 12 10.474 -20.264 -0.562 1.00 51.33 C ATOM 191 CD LYS A 12 9.031 -19.814 -0.405 1.00 1.41 C ATOM 192 CE LYS A 12 8.944 -18.434 0.228 1.00 13.54 C ATOM 193 NZ LYS A 12 9.179 -17.351 -0.766 1.00 42.24 N ATOM 0 H LYS A 12 12.711 -18.678 -3.390 1.00 71.03 H new ATOM 0 HA LYS A 12 12.994 -20.608 -1.369 1.00 61.31 H new ATOM 0 HB2 LYS A 12 11.332 -18.631 -1.644 1.00 22.31 H new ATOM 0 HB3 LYS A 12 10.381 -19.724 -2.630 1.00 22.31 H new ATOM 0 HG2 LYS A 12 10.514 -21.352 -0.604 1.00 51.33 H new ATOM 0 HG3 LYS A 12 11.049 -19.957 0.312 1.00 51.33 H new ATOM 0 HD2 LYS A 12 8.545 -19.799 -1.381 1.00 1.41 H new ATOM 0 HD3 LYS A 12 8.489 -20.533 0.210 1.00 1.41 H new ATOM 0 HE2 LYS A 12 7.961 -18.304 0.681 1.00 13.54 H new ATOM 0 HE3 LYS A 12 9.678 -18.356 1.030 1.00 13.54 H new ATOM 0 HZ1 LYS A 12 8.570 -16.538 -0.544 1.00 42.24 H new ATOM 0 HZ2 LYS A 12 10.176 -17.057 -0.730 1.00 42.24 H new ATOM 0 HZ3 LYS A 12 8.955 -17.701 -1.720 1.00 42.24 H new ATOM 207 N GLN A 13 11.875 -21.711 -4.229 1.00 41.05 N ATOM 208 CA GLN A 13 11.537 -22.915 -4.980 1.00 5.23 C ATOM 209 C GLN A 13 12.538 -24.031 -4.698 1.00 2.43 C ATOM 210 O GLN A 13 12.207 -25.212 -4.790 1.00 21.21 O ATOM 211 CB GLN A 13 11.501 -22.613 -6.479 1.00 32.41 C ATOM 212 CG GLN A 13 10.821 -23.697 -7.301 1.00 11.52 C ATOM 213 CD GLN A 13 10.423 -23.217 -8.683 1.00 30.12 C ATOM 214 OE1 GLN A 13 11.263 -23.088 -9.574 1.00 23.14 O ATOM 215 NE2 GLN A 13 9.136 -22.950 -8.869 1.00 74.32 N ATOM 0 H GLN A 13 11.978 -20.872 -4.800 1.00 41.05 H new ATOM 0 HA GLN A 13 10.550 -23.248 -4.660 1.00 5.23 H new ATOM 0 HB2 GLN A 13 10.982 -21.668 -6.639 1.00 32.41 H new ATOM 0 HB3 GLN A 13 12.521 -22.481 -6.839 1.00 32.41 H new ATOM 0 HG2 GLN A 13 11.492 -24.551 -7.396 1.00 11.52 H new ATOM 0 HG3 GLN A 13 9.934 -24.046 -6.772 1.00 11.52 H new ATOM 0 HE21 GLN A 13 8.474 -23.071 -8.102 1.00 74.32 H new ATOM 0 HE22 GLN A 13 8.809 -22.624 -9.778 1.00 74.32 H new ATOM 224 N MET A 14 13.763 -23.647 -4.354 1.00 44.11 N ATOM 225 CA MET A 14 14.812 -24.616 -4.058 1.00 3.22 C ATOM 226 C MET A 14 15.092 -24.673 -2.559 1.00 74.53 C ATOM 227 O MET A 14 16.156 -24.259 -2.100 1.00 64.53 O ATOM 228 CB MET A 14 16.094 -24.260 -4.814 1.00 13.51 C ATOM 229 CG MET A 14 16.125 -24.787 -6.239 1.00 61.40 C ATOM 230 SD MET A 14 17.499 -24.120 -7.197 1.00 1.31 S ATOM 231 CE MET A 14 17.647 -25.356 -8.484 1.00 20.50 C ATOM 0 H MET A 14 14.054 -22.673 -4.273 1.00 44.11 H new ATOM 0 HA MET A 14 14.467 -25.597 -4.384 1.00 3.22 H new ATOM 0 HB2 MET A 14 16.205 -23.176 -4.834 1.00 13.51 H new ATOM 0 HB3 MET A 14 16.950 -24.658 -4.269 1.00 13.51 H new ATOM 0 HG2 MET A 14 16.196 -25.875 -6.218 1.00 61.40 H new ATOM 0 HG3 MET A 14 15.187 -24.538 -6.735 1.00 61.40 H new ATOM 0 HE1 MET A 14 18.458 -25.083 -9.159 1.00 20.50 H new ATOM 0 HE2 MET A 14 17.860 -26.326 -8.034 1.00 20.50 H new ATOM 0 HE3 MET A 14 16.713 -25.413 -9.043 1.00 20.50 H new ATOM 241 N TYR A 15 14.129 -25.189 -1.802 1.00 43.42 N ATOM 242 CA TYR A 15 14.271 -25.298 -0.355 1.00 41.42 C ATOM 243 C TYR A 15 15.558 -26.029 0.013 1.00 63.35 C ATOM 244 O TYR A 15 16.139 -25.795 1.072 1.00 4.43 O ATOM 245 CB TYR A 15 13.067 -26.028 0.243 1.00 65.03 C ATOM 246 CG TYR A 15 13.185 -26.273 1.730 1.00 3.31 C ATOM 247 CD1 TYR A 15 12.756 -25.321 2.647 1.00 53.34 C ATOM 248 CD2 TYR A 15 13.727 -27.455 2.219 1.00 31.00 C ATOM 249 CE1 TYR A 15 12.862 -25.540 4.007 1.00 51.54 C ATOM 250 CE2 TYR A 15 13.836 -27.683 3.577 1.00 14.11 C ATOM 251 CZ TYR A 15 13.402 -26.722 4.467 1.00 70.22 C ATOM 252 OH TYR A 15 13.510 -26.945 5.820 1.00 11.15 O ATOM 0 H TYR A 15 13.243 -25.538 -2.167 1.00 43.42 H new ATOM 0 HA TYR A 15 14.317 -24.290 0.057 1.00 41.42 H new ATOM 0 HB2 TYR A 15 12.167 -25.445 0.050 1.00 65.03 H new ATOM 0 HB3 TYR A 15 12.943 -26.984 -0.266 1.00 65.03 H new ATOM 0 HD1 TYR A 15 12.332 -24.394 2.290 1.00 53.34 H new ATOM 0 HD2 TYR A 15 14.069 -28.209 1.525 1.00 31.00 H new ATOM 0 HE1 TYR A 15 12.524 -24.789 4.706 1.00 51.54 H new ATOM 0 HE2 TYR A 15 14.259 -28.608 3.940 1.00 14.11 H new ATOM 0 HH TYR A 15 13.910 -27.826 5.975 1.00 11.15 H new ATOM 262 N LYS A 16 15.999 -26.918 -0.872 1.00 2.34 N ATOM 263 CA LYS A 16 17.218 -27.684 -0.644 1.00 25.20 C ATOM 264 C LYS A 16 18.417 -26.759 -0.462 1.00 42.54 C ATOM 265 O LYS A 16 19.125 -26.446 -1.421 1.00 32.13 O ATOM 266 CB LYS A 16 17.471 -28.639 -1.813 1.00 33.42 C ATOM 267 CG LYS A 16 18.551 -29.670 -1.534 1.00 34.33 C ATOM 268 CD LYS A 16 19.188 -30.172 -2.818 1.00 45.55 C ATOM 269 CE LYS A 16 18.427 -31.356 -3.394 1.00 22.15 C ATOM 270 NZ LYS A 16 17.220 -30.925 -4.151 1.00 40.32 N ATOM 0 H LYS A 16 15.530 -27.125 -1.754 1.00 2.34 H new ATOM 0 HA LYS A 16 17.087 -28.264 0.270 1.00 25.20 H new ATOM 0 HB2 LYS A 16 16.542 -29.155 -2.057 1.00 33.42 H new ATOM 0 HB3 LYS A 16 17.753 -28.058 -2.691 1.00 33.42 H new ATOM 0 HG2 LYS A 16 19.317 -29.232 -0.894 1.00 34.33 H new ATOM 0 HG3 LYS A 16 18.121 -30.510 -0.988 1.00 34.33 H new ATOM 0 HD2 LYS A 16 19.216 -29.365 -3.551 1.00 45.55 H new ATOM 0 HD3 LYS A 16 20.221 -30.462 -2.624 1.00 45.55 H new ATOM 0 HE2 LYS A 16 19.084 -31.925 -4.052 1.00 22.15 H new ATOM 0 HE3 LYS A 16 18.129 -32.024 -2.586 1.00 22.15 H new ATOM 0 HZ1 LYS A 16 16.965 -31.658 -4.844 1.00 40.32 H new ATOM 0 HZ2 LYS A 16 16.429 -30.782 -3.491 1.00 40.32 H new ATOM 0 HZ3 LYS A 16 17.422 -30.034 -4.648 1.00 40.32 H new ATOM 284 N THR A 17 18.641 -26.323 0.774 1.00 63.24 N ATOM 285 CA THR A 17 19.754 -25.434 1.081 1.00 43.14 C ATOM 286 C THR A 17 20.426 -25.826 2.392 1.00 60.14 C ATOM 287 O THR A 17 20.779 -24.980 3.214 1.00 72.23 O ATOM 288 CB THR A 17 19.293 -23.967 1.172 1.00 33.22 C ATOM 289 OG1 THR A 17 20.419 -23.112 1.399 1.00 31.43 O ATOM 290 CG2 THR A 17 18.279 -23.788 2.293 1.00 44.35 C ATOM 0 H THR A 17 18.066 -26.572 1.579 1.00 63.24 H new ATOM 0 HA THR A 17 20.470 -25.532 0.265 1.00 43.14 H new ATOM 0 HB THR A 17 18.819 -23.699 0.228 1.00 33.22 H new ATOM 0 HG1 THR A 17 20.859 -23.366 2.237 1.00 31.43 H new ATOM 0 HG21 THR A 17 17.968 -22.744 2.339 1.00 44.35 H new ATOM 0 HG22 THR A 17 17.410 -24.418 2.102 1.00 44.35 H new ATOM 0 HG23 THR A 17 18.732 -24.073 3.242 1.00 44.35 H new ATOM 298 N PRO A 18 20.609 -27.139 2.594 1.00 70.41 N ATOM 299 CA PRO A 18 21.241 -27.673 3.804 1.00 62.41 C ATOM 300 C PRO A 18 22.731 -27.356 3.867 1.00 24.45 C ATOM 301 O PRO A 18 23.274 -27.081 4.938 1.00 14.04 O ATOM 302 CB PRO A 18 21.020 -29.183 3.683 1.00 65.34 C ATOM 303 CG PRO A 18 20.879 -29.429 2.220 1.00 32.11 C ATOM 304 CD PRO A 18 20.213 -28.204 1.657 1.00 62.12 C ATOM 0 HA PRO A 18 20.819 -27.238 4.710 1.00 62.41 H new ATOM 0 HB2 PRO A 18 21.859 -29.741 4.099 1.00 65.34 H new ATOM 0 HB3 PRO A 18 20.128 -29.497 4.225 1.00 65.34 H new ATOM 0 HG2 PRO A 18 21.852 -29.592 1.756 1.00 32.11 H new ATOM 0 HG3 PRO A 18 20.281 -30.320 2.030 1.00 32.11 H new ATOM 0 HD2 PRO A 18 20.551 -27.993 0.643 1.00 62.12 H new ATOM 0 HD3 PRO A 18 19.130 -28.319 1.614 1.00 62.12 H new ATOM 312 N THR A 19 23.390 -27.396 2.713 1.00 22.33 N ATOM 313 CA THR A 19 24.818 -27.114 2.638 1.00 10.11 C ATOM 314 C THR A 19 25.593 -27.919 3.674 1.00 21.55 C ATOM 315 O THR A 19 26.588 -27.447 4.226 1.00 50.11 O ATOM 316 CB THR A 19 25.106 -25.616 2.849 1.00 42.52 C ATOM 317 OG1 THR A 19 24.988 -25.284 4.237 1.00 63.41 O ATOM 318 CG2 THR A 19 24.147 -24.760 2.035 1.00 72.31 C ATOM 0 H THR A 19 22.957 -27.621 1.817 1.00 22.33 H new ATOM 0 HA THR A 19 25.145 -27.403 1.639 1.00 10.11 H new ATOM 0 HB THR A 19 26.123 -25.414 2.513 1.00 42.52 H new ATOM 0 HG1 THR A 19 24.536 -26.013 4.710 1.00 63.41 H new ATOM 0 HG21 THR A 19 24.370 -23.706 2.200 1.00 72.31 H new ATOM 0 HG22 THR A 19 24.260 -24.993 0.976 1.00 72.31 H new ATOM 0 HG23 THR A 19 23.122 -24.967 2.344 1.00 72.31 H new ATOM 326 N LEU A 20 25.132 -29.138 3.935 1.00 5.11 N ATOM 327 CA LEU A 20 25.784 -30.011 4.906 1.00 52.42 C ATOM 328 C LEU A 20 26.149 -31.350 4.275 1.00 61.34 C ATOM 329 O LEU A 20 26.214 -32.373 4.956 1.00 35.45 O ATOM 330 CB LEU A 20 24.871 -30.235 6.113 1.00 41.43 C ATOM 331 CG LEU A 20 25.549 -30.758 7.379 1.00 4.13 C ATOM 332 CD1 LEU A 20 26.066 -29.604 8.224 1.00 43.42 C ATOM 333 CD2 LEU A 20 24.586 -31.620 8.183 1.00 44.32 C ATOM 0 H LEU A 20 24.310 -29.544 3.488 1.00 5.11 H new ATOM 0 HA LEU A 20 26.701 -29.524 5.237 1.00 52.42 H new ATOM 0 HB2 LEU A 20 24.379 -29.292 6.351 1.00 41.43 H new ATOM 0 HB3 LEU A 20 24.089 -30.938 5.826 1.00 41.43 H new ATOM 0 HG LEU A 20 26.398 -31.375 7.084 1.00 4.13 H new ATOM 0 HD11 LEU A 20 26.545 -29.996 9.121 1.00 43.42 H new ATOM 0 HD12 LEU A 20 26.790 -29.027 7.648 1.00 43.42 H new ATOM 0 HD13 LEU A 20 25.234 -28.960 8.509 1.00 43.42 H new ATOM 0 HD21 LEU A 20 25.086 -31.984 9.081 1.00 44.32 H new ATOM 0 HD22 LEU A 20 23.717 -31.027 8.467 1.00 44.32 H new ATOM 0 HD23 LEU A 20 24.265 -32.468 7.578 1.00 44.32 H new ATOM 345 N LYS A 21 26.390 -31.337 2.968 1.00 53.20 N ATOM 346 CA LYS A 21 26.753 -32.549 2.244 1.00 75.13 C ATOM 347 C LYS A 21 28.158 -33.007 2.620 1.00 60.45 C ATOM 348 O LYS A 21 28.470 -34.197 2.561 1.00 71.01 O ATOM 349 CB LYS A 21 26.669 -32.310 0.734 1.00 30.54 C ATOM 350 CG LYS A 21 27.160 -33.484 -0.095 1.00 63.21 C ATOM 351 CD LYS A 21 26.894 -33.271 -1.576 1.00 3.42 C ATOM 352 CE LYS A 21 27.277 -34.495 -2.393 1.00 73.20 C ATOM 353 NZ LYS A 21 26.253 -35.572 -2.291 1.00 52.33 N ATOM 0 H LYS A 21 26.340 -30.499 2.388 1.00 53.20 H new ATOM 0 HA LYS A 21 26.048 -33.333 2.521 1.00 75.13 H new ATOM 0 HB2 LYS A 21 25.635 -32.094 0.466 1.00 30.54 H new ATOM 0 HB3 LYS A 21 27.255 -31.427 0.481 1.00 30.54 H new ATOM 0 HG2 LYS A 21 28.229 -33.623 0.067 1.00 63.21 H new ATOM 0 HG3 LYS A 21 26.666 -34.397 0.237 1.00 63.21 H new ATOM 0 HD2 LYS A 21 25.838 -33.046 -1.728 1.00 3.42 H new ATOM 0 HD3 LYS A 21 27.458 -32.407 -1.927 1.00 3.42 H new ATOM 0 HE2 LYS A 21 27.402 -34.210 -3.438 1.00 73.20 H new ATOM 0 HE3 LYS A 21 28.239 -34.875 -2.049 1.00 73.20 H new ATOM 0 HZ1 LYS A 21 26.550 -36.389 -2.862 1.00 52.33 H new ATOM 0 HZ2 LYS A 21 26.152 -35.862 -1.297 1.00 52.33 H new ATOM 0 HZ3 LYS A 21 25.341 -35.218 -2.643 1.00 52.33 H new ATOM 367 N TYR A 22 29.001 -32.057 3.007 1.00 44.05 N ATOM 368 CA TYR A 22 30.374 -32.363 3.391 1.00 20.41 C ATOM 369 C TYR A 22 30.408 -33.407 4.503 1.00 21.41 C ATOM 370 O TYR A 22 31.306 -34.249 4.554 1.00 53.43 O ATOM 371 CB TYR A 22 31.094 -31.093 3.847 1.00 71.11 C ATOM 372 CG TYR A 22 31.604 -30.243 2.705 1.00 33.20 C ATOM 373 CD1 TYR A 22 31.049 -28.997 2.439 1.00 22.13 C ATOM 374 CD2 TYR A 22 32.639 -30.686 1.891 1.00 30.33 C ATOM 375 CE1 TYR A 22 31.511 -28.217 1.397 1.00 61.33 C ATOM 376 CE2 TYR A 22 33.108 -29.913 0.848 1.00 43.35 C ATOM 377 CZ TYR A 22 32.541 -28.679 0.604 1.00 21.21 C ATOM 378 OH TYR A 22 33.005 -27.906 -0.436 1.00 32.14 O ATOM 0 H TYR A 22 28.758 -31.068 3.063 1.00 44.05 H new ATOM 0 HA TYR A 22 30.886 -32.769 2.519 1.00 20.41 H new ATOM 0 HB2 TYR A 22 30.413 -30.498 4.456 1.00 71.11 H new ATOM 0 HB3 TYR A 22 31.933 -31.370 4.485 1.00 71.11 H new ATOM 0 HD1 TYR A 22 30.242 -28.632 3.058 1.00 22.13 H new ATOM 0 HD2 TYR A 22 33.084 -31.652 2.078 1.00 30.33 H new ATOM 0 HE1 TYR A 22 31.068 -27.251 1.204 1.00 61.33 H new ATOM 0 HE2 TYR A 22 33.915 -30.272 0.226 1.00 43.35 H new ATOM 0 HH TYR A 22 33.733 -28.376 -0.894 1.00 32.14 H new ATOM 388 N PHE A 23 29.423 -33.347 5.393 1.00 52.02 N ATOM 389 CA PHE A 23 29.338 -34.286 6.505 1.00 24.21 C ATOM 390 C PHE A 23 28.141 -35.217 6.341 1.00 35.12 C ATOM 391 O PHE A 23 27.598 -35.726 7.321 1.00 74.33 O ATOM 392 CB PHE A 23 29.234 -33.531 7.831 1.00 13.55 C ATOM 393 CG PHE A 23 30.552 -33.014 8.333 1.00 60.21 C ATOM 394 CD1 PHE A 23 31.053 -33.428 9.557 1.00 51.13 C ATOM 395 CD2 PHE A 23 31.290 -32.115 7.581 1.00 41.34 C ATOM 396 CE1 PHE A 23 32.266 -32.955 10.021 1.00 71.11 C ATOM 397 CE2 PHE A 23 32.504 -31.639 8.039 1.00 12.35 C ATOM 398 CZ PHE A 23 32.992 -32.058 9.262 1.00 73.44 C ATOM 0 H PHE A 23 28.672 -32.657 5.366 1.00 52.02 H new ATOM 0 HA PHE A 23 30.246 -34.889 6.509 1.00 24.21 H new ATOM 0 HB2 PHE A 23 28.547 -32.694 7.710 1.00 13.55 H new ATOM 0 HB3 PHE A 23 28.802 -34.192 8.583 1.00 13.55 H new ATOM 0 HD1 PHE A 23 30.489 -34.128 10.155 1.00 51.13 H new ATOM 0 HD2 PHE A 23 30.912 -31.782 6.626 1.00 41.34 H new ATOM 0 HE1 PHE A 23 32.646 -33.286 10.976 1.00 71.11 H new ATOM 0 HE2 PHE A 23 33.071 -30.940 7.442 1.00 12.35 H new ATOM 0 HZ PHE A 23 33.939 -31.685 9.624 1.00 73.44 H new ATOM 408 N GLY A 24 27.733 -35.434 5.094 1.00 23.22 N ATOM 409 CA GLY A 24 26.602 -36.302 4.824 1.00 64.43 C ATOM 410 C GLY A 24 26.900 -37.756 5.135 1.00 51.15 C ATOM 411 O GLY A 24 27.539 -38.449 4.344 1.00 0.21 O ATOM 0 H GLY A 24 28.166 -35.024 4.266 1.00 23.22 H new ATOM 0 HA2 GLY A 24 25.747 -35.975 5.416 1.00 64.43 H new ATOM 0 HA3 GLY A 24 26.318 -36.209 3.776 1.00 64.43 H new ATOM 415 N GLY A 25 26.436 -38.219 6.291 1.00 22.15 N ATOM 416 CA GLY A 25 26.668 -39.596 6.685 1.00 20.54 C ATOM 417 C GLY A 25 28.133 -39.886 6.948 1.00 53.15 C ATOM 418 O GLY A 25 28.896 -38.988 7.304 1.00 22.31 O ATOM 0 H GLY A 25 25.903 -37.665 6.962 1.00 22.15 H new ATOM 0 HA2 GLY A 25 26.091 -39.816 7.583 1.00 20.54 H new ATOM 0 HA3 GLY A 25 26.304 -40.261 5.902 1.00 20.54 H new ATOM 422 N PHE A 26 28.526 -41.143 6.772 1.00 23.04 N ATOM 423 CA PHE A 26 29.909 -41.549 6.995 1.00 20.20 C ATOM 424 C PHE A 26 30.854 -40.794 6.065 1.00 62.31 C ATOM 425 O PHE A 26 30.469 -40.386 4.970 1.00 5.32 O ATOM 426 CB PHE A 26 30.061 -43.057 6.781 1.00 51.42 C ATOM 427 CG PHE A 26 29.576 -43.523 5.438 1.00 31.10 C ATOM 428 CD1 PHE A 26 28.298 -44.036 5.288 1.00 34.22 C ATOM 429 CD2 PHE A 26 30.399 -43.449 4.326 1.00 73.14 C ATOM 430 CE1 PHE A 26 27.848 -44.466 4.054 1.00 61.02 C ATOM 431 CE2 PHE A 26 29.955 -43.877 3.089 1.00 55.02 C ATOM 432 CZ PHE A 26 28.678 -44.387 2.953 1.00 62.21 C ATOM 0 H PHE A 26 27.907 -41.898 6.476 1.00 23.04 H new ATOM 0 HA PHE A 26 30.171 -41.307 8.025 1.00 20.20 H new ATOM 0 HB2 PHE A 26 31.111 -43.328 6.894 1.00 51.42 H new ATOM 0 HB3 PHE A 26 29.510 -43.584 7.560 1.00 51.42 H new ATOM 0 HD1 PHE A 26 27.645 -44.101 6.146 1.00 34.22 H new ATOM 0 HD2 PHE A 26 31.399 -43.053 4.427 1.00 73.14 H new ATOM 0 HE1 PHE A 26 26.849 -44.863 3.951 1.00 61.02 H new ATOM 0 HE2 PHE A 26 30.606 -43.813 2.229 1.00 55.02 H new ATOM 0 HZ PHE A 26 28.330 -44.723 1.988 1.00 62.21 H new ATOM 442 N ASN A 27 32.093 -40.613 6.510 1.00 2.34 N ATOM 443 CA ASN A 27 33.094 -39.906 5.719 1.00 11.12 C ATOM 444 C ASN A 27 34.432 -40.638 5.754 1.00 32.43 C ATOM 445 O ASN A 27 35.018 -40.933 4.713 1.00 72.55 O ATOM 446 CB ASN A 27 33.268 -38.477 6.238 1.00 63.11 C ATOM 447 CG ASN A 27 34.177 -37.647 5.352 1.00 64.40 C ATOM 448 OD1 ASN A 27 33.725 -37.019 4.394 1.00 21.45 O ATOM 449 ND2 ASN A 27 35.467 -37.642 5.668 1.00 1.43 N ATOM 0 H ASN A 27 32.428 -40.946 7.414 1.00 2.34 H new ATOM 0 HA ASN A 27 32.746 -39.871 4.687 1.00 11.12 H new ATOM 0 HB2 ASN A 27 32.292 -37.996 6.305 1.00 63.11 H new ATOM 0 HB3 ASN A 27 33.678 -38.507 7.248 1.00 63.11 H new ATOM 0 HD21 ASN A 27 36.127 -37.103 5.108 1.00 1.43 H new ATOM 0 HD22 ASN A 27 35.797 -38.177 6.471 1.00 1.43 H new ATOM 456 N PHE A 28 34.909 -40.930 6.960 1.00 42.42 N ATOM 457 CA PHE A 28 36.178 -41.627 7.131 1.00 21.55 C ATOM 458 C PHE A 28 36.158 -42.976 6.418 1.00 61.02 C ATOM 459 O PHE A 28 37.201 -43.497 6.023 1.00 40.12 O ATOM 460 CB PHE A 28 36.476 -41.829 8.619 1.00 64.24 C ATOM 461 CG PHE A 28 35.533 -42.783 9.295 1.00 5.42 C ATOM 462 CD1 PHE A 28 35.847 -44.128 9.403 1.00 12.13 C ATOM 463 CD2 PHE A 28 34.333 -42.334 9.823 1.00 44.44 C ATOM 464 CE1 PHE A 28 34.981 -45.008 10.026 1.00 45.03 C ATOM 465 CE2 PHE A 28 33.464 -43.209 10.446 1.00 5.24 C ATOM 466 CZ PHE A 28 33.788 -44.548 10.547 1.00 42.21 C ATOM 0 H PHE A 28 34.436 -40.695 7.832 1.00 42.42 H new ATOM 0 HA PHE A 28 36.963 -41.014 6.689 1.00 21.55 H new ATOM 0 HB2 PHE A 28 37.495 -42.198 8.730 1.00 64.24 H new ATOM 0 HB3 PHE A 28 36.429 -40.865 9.125 1.00 64.24 H new ATOM 0 HD1 PHE A 28 36.778 -44.493 8.996 1.00 12.13 H new ATOM 0 HD2 PHE A 28 34.074 -41.288 9.747 1.00 44.44 H new ATOM 0 HE1 PHE A 28 35.238 -46.054 10.105 1.00 45.03 H new ATOM 0 HE2 PHE A 28 32.532 -42.846 10.854 1.00 5.24 H new ATOM 0 HZ PHE A 28 33.109 -45.234 11.033 1.00 42.21 H new ATOM 476 N SER A 29 34.963 -43.536 6.257 1.00 43.11 N ATOM 477 CA SER A 29 34.807 -44.826 5.595 1.00 15.21 C ATOM 478 C SER A 29 35.438 -44.804 4.206 1.00 33.12 C ATOM 479 O SER A 29 35.854 -45.839 3.686 1.00 12.04 O ATOM 480 CB SER A 29 33.325 -45.191 5.489 1.00 72.54 C ATOM 481 OG SER A 29 32.810 -45.603 6.743 1.00 14.30 O ATOM 0 H SER A 29 34.089 -43.117 6.576 1.00 43.11 H new ATOM 0 HA SER A 29 35.318 -45.579 6.195 1.00 15.21 H new ATOM 0 HB2 SER A 29 32.761 -44.332 5.125 1.00 72.54 H new ATOM 0 HB3 SER A 29 33.195 -45.990 4.759 1.00 72.54 H new ATOM 0 HG SER A 29 31.861 -45.829 6.649 1.00 14.30 H new ATOM 487 N GLN A 30 35.505 -43.617 3.612 1.00 34.01 N ATOM 488 CA GLN A 30 36.084 -43.460 2.283 1.00 0.03 C ATOM 489 C GLN A 30 37.501 -44.021 2.238 1.00 63.43 C ATOM 490 O GLN A 30 37.946 -44.526 1.206 1.00 4.13 O ATOM 491 CB GLN A 30 36.094 -41.985 1.879 1.00 11.33 C ATOM 492 CG GLN A 30 37.150 -41.163 2.601 1.00 33.23 C ATOM 493 CD GLN A 30 37.005 -39.675 2.349 1.00 61.42 C ATOM 494 OE1 GLN A 30 37.895 -39.041 1.782 1.00 50.14 O ATOM 495 NE2 GLN A 30 35.880 -39.110 2.769 1.00 13.15 N ATOM 0 H GLN A 30 35.166 -42.750 4.030 1.00 34.01 H new ATOM 0 HA GLN A 30 35.469 -44.018 1.577 1.00 0.03 H new ATOM 0 HB2 GLN A 30 36.261 -41.912 0.804 1.00 11.33 H new ATOM 0 HB3 GLN A 30 35.112 -41.556 2.079 1.00 11.33 H new ATOM 0 HG2 GLN A 30 37.084 -41.354 3.672 1.00 33.23 H new ATOM 0 HG3 GLN A 30 38.140 -41.487 2.280 1.00 33.23 H new ATOM 0 HE21 GLN A 30 35.169 -39.674 3.234 1.00 13.15 H new ATOM 0 HE22 GLN A 30 35.726 -38.112 2.626 1.00 13.15 H new ATOM 504 N ILE A 31 38.205 -43.930 3.361 1.00 0.10 N ATOM 505 CA ILE A 31 39.572 -44.429 3.449 1.00 75.54 C ATOM 506 C ILE A 31 39.596 -45.951 3.541 1.00 34.34 C ATOM 507 O ILE A 31 40.573 -46.593 3.154 1.00 42.32 O ATOM 508 CB ILE A 31 40.309 -43.840 4.665 1.00 24.55 C ATOM 509 CG1 ILE A 31 41.739 -43.452 4.283 1.00 10.44 C ATOM 510 CG2 ILE A 31 40.315 -44.837 5.815 1.00 70.21 C ATOM 511 CD1 ILE A 31 42.540 -44.594 3.700 1.00 65.02 C ATOM 0 H ILE A 31 37.851 -43.515 4.223 1.00 0.10 H new ATOM 0 HA ILE A 31 40.082 -44.114 2.539 1.00 75.54 H new ATOM 0 HB ILE A 31 39.783 -42.942 4.990 1.00 24.55 H new ATOM 0 HG12 ILE A 31 41.705 -42.637 3.560 1.00 10.44 H new ATOM 0 HG13 ILE A 31 42.252 -43.073 5.167 1.00 10.44 H new ATOM 0 HG21 ILE A 31 40.840 -44.406 6.668 1.00 70.21 H new ATOM 0 HG22 ILE A 31 39.289 -45.070 6.100 1.00 70.21 H new ATOM 0 HG23 ILE A 31 40.821 -45.751 5.502 1.00 70.21 H new ATOM 0 HD11 ILE A 31 43.543 -44.246 3.453 1.00 65.02 H new ATOM 0 HD12 ILE A 31 42.606 -45.402 4.429 1.00 65.02 H new ATOM 0 HD13 ILE A 31 42.050 -44.959 2.797 1.00 65.02 H new ATOM 523 N LEU A 32 38.513 -46.524 4.056 1.00 61.22 N ATOM 524 CA LEU A 32 38.408 -47.972 4.198 1.00 21.30 C ATOM 525 C LEU A 32 37.305 -48.529 3.303 1.00 3.22 C ATOM 526 O LEU A 32 36.236 -48.925 3.767 1.00 21.14 O ATOM 527 CB LEU A 32 38.133 -48.343 5.656 1.00 13.34 C ATOM 528 CG LEU A 32 39.363 -48.546 6.541 1.00 1.53 C ATOM 529 CD1 LEU A 32 39.310 -47.623 7.749 1.00 0.10 C ATOM 530 CD2 LEU A 32 39.470 -49.998 6.982 1.00 75.22 C ATOM 0 H LEU A 32 37.696 -46.008 4.382 1.00 61.22 H new ATOM 0 HA LEU A 32 39.357 -48.412 3.890 1.00 21.30 H new ATOM 0 HB2 LEU A 32 37.517 -47.561 6.099 1.00 13.34 H new ATOM 0 HB3 LEU A 32 37.544 -49.260 5.672 1.00 13.34 H new ATOM 0 HG LEU A 32 40.250 -48.298 5.958 1.00 1.53 H new ATOM 0 HD11 LEU A 32 40.194 -47.782 8.367 1.00 0.10 H new ATOM 0 HD12 LEU A 32 39.283 -46.586 7.414 1.00 0.10 H new ATOM 0 HD13 LEU A 32 38.415 -47.839 8.333 1.00 0.10 H new ATOM 0 HD21 LEU A 32 40.351 -50.123 7.611 1.00 75.22 H new ATOM 0 HD22 LEU A 32 38.579 -50.273 7.547 1.00 75.22 H new ATOM 0 HD23 LEU A 32 39.556 -50.639 6.105 1.00 75.22 H new ATOM 542 N PRO A 33 37.570 -48.562 1.989 1.00 70.14 N ATOM 543 CA PRO A 33 36.613 -49.071 1.001 1.00 4.12 C ATOM 544 C PRO A 33 36.425 -50.581 1.101 1.00 1.21 C ATOM 545 O PRO A 33 37.219 -51.274 1.737 1.00 32.22 O ATOM 546 CB PRO A 33 37.255 -48.700 -0.338 1.00 52.51 C ATOM 547 CG PRO A 33 38.713 -48.609 -0.048 1.00 22.24 C ATOM 548 CD PRO A 33 38.824 -48.106 1.365 1.00 34.11 C ATOM 0 HA PRO A 33 35.618 -48.650 1.143 1.00 4.12 H new ATOM 0 HB2 PRO A 33 37.049 -49.454 -1.098 1.00 52.51 H new ATOM 0 HB3 PRO A 33 36.867 -47.754 -0.714 1.00 52.51 H new ATOM 0 HG2 PRO A 33 39.193 -49.582 -0.155 1.00 22.24 H new ATOM 0 HG3 PRO A 33 39.208 -47.931 -0.744 1.00 22.24 H new ATOM 0 HD2 PRO A 33 39.697 -48.518 1.871 1.00 34.11 H new ATOM 0 HD3 PRO A 33 38.918 -47.021 1.399 1.00 34.11 H new ATOM 556 N SER A 34 35.370 -51.084 0.468 1.00 30.15 N ATOM 557 CA SER A 34 35.076 -52.512 0.489 1.00 32.22 C ATOM 558 C SER A 34 33.924 -52.843 -0.455 1.00 64.44 C ATOM 559 O SER A 34 32.828 -53.212 -0.034 1.00 0.13 O ATOM 560 CB SER A 34 34.731 -52.963 1.910 1.00 54.21 C ATOM 561 OG SER A 34 34.630 -54.374 1.987 1.00 23.21 O ATOM 0 H SER A 34 34.705 -50.524 -0.065 1.00 30.15 H new ATOM 0 HA SER A 34 35.965 -53.046 0.152 1.00 32.22 H new ATOM 0 HB2 SER A 34 35.496 -52.612 2.602 1.00 54.21 H new ATOM 0 HB3 SER A 34 33.789 -52.510 2.220 1.00 54.21 H new ATOM 0 HG SER A 34 34.410 -54.637 2.905 1.00 23.21 H new ATOM 567 N PRO A 35 34.178 -52.709 -1.766 1.00 30.33 N ATOM 568 CA PRO A 35 33.176 -52.990 -2.799 1.00 2.54 C ATOM 569 C PRO A 35 32.861 -54.477 -2.912 1.00 32.11 C ATOM 570 O PRO A 35 33.555 -55.315 -2.335 1.00 64.23 O ATOM 571 CB PRO A 35 33.839 -52.484 -4.082 1.00 63.23 C ATOM 572 CG PRO A 35 35.302 -52.558 -3.808 1.00 33.33 C ATOM 573 CD PRO A 35 35.462 -52.274 -2.340 1.00 24.42 C ATOM 0 HA PRO A 35 32.220 -52.514 -2.580 1.00 2.54 H new ATOM 0 HB2 PRO A 35 33.565 -53.100 -4.938 1.00 63.23 H new ATOM 0 HB3 PRO A 35 33.530 -51.464 -4.311 1.00 63.23 H new ATOM 0 HG2 PRO A 35 35.697 -53.542 -4.061 1.00 33.33 H new ATOM 0 HG3 PRO A 35 35.849 -51.831 -4.408 1.00 33.33 H new ATOM 0 HD2 PRO A 35 36.300 -52.825 -1.913 1.00 24.42 H new ATOM 0 HD3 PRO A 35 35.648 -51.216 -2.153 1.00 24.42 H new ATOM 581 N LEU A 36 31.810 -54.799 -3.658 1.00 62.13 N ATOM 582 CA LEU A 36 31.403 -56.187 -3.848 1.00 31.01 C ATOM 583 C LEU A 36 30.599 -56.348 -5.134 1.00 52.31 C ATOM 584 O LEU A 36 29.712 -57.197 -5.223 1.00 12.12 O ATOM 585 CB LEU A 36 30.576 -56.664 -2.653 1.00 31.31 C ATOM 586 CG LEU A 36 29.591 -55.650 -2.071 1.00 32.15 C ATOM 587 CD1 LEU A 36 30.319 -54.639 -1.199 1.00 12.23 C ATOM 588 CD2 LEU A 36 28.829 -54.946 -3.184 1.00 70.52 C ATOM 0 H LEU A 36 31.224 -54.118 -4.141 1.00 62.13 H new ATOM 0 HA LEU A 36 32.303 -56.796 -3.926 1.00 31.01 H new ATOM 0 HB2 LEU A 36 30.018 -57.551 -2.954 1.00 31.31 H new ATOM 0 HB3 LEU A 36 31.261 -56.971 -1.862 1.00 31.31 H new ATOM 0 HG LEU A 36 28.873 -56.185 -1.450 1.00 32.15 H new ATOM 0 HD11 LEU A 36 29.602 -53.925 -0.793 1.00 12.23 H new ATOM 0 HD12 LEU A 36 30.818 -55.157 -0.380 1.00 12.23 H new ATOM 0 HD13 LEU A 36 31.060 -54.109 -1.798 1.00 12.23 H new ATOM 0 HD21 LEU A 36 28.133 -54.228 -2.751 1.00 70.52 H new ATOM 0 HD22 LEU A 36 29.532 -54.423 -3.832 1.00 70.52 H new ATOM 0 HD23 LEU A 36 28.275 -55.682 -3.768 1.00 70.52 H new ATOM 600 N LYS A 37 30.916 -55.528 -6.130 1.00 50.23 N ATOM 601 CA LYS A 37 30.226 -55.580 -7.414 1.00 24.00 C ATOM 602 C LYS A 37 30.264 -56.990 -7.995 1.00 12.03 C ATOM 603 O LYS A 37 31.088 -57.822 -7.615 1.00 41.10 O ATOM 604 CB LYS A 37 30.861 -54.595 -8.398 1.00 5.22 C ATOM 605 CG LYS A 37 30.173 -53.242 -8.433 1.00 54.54 C ATOM 606 CD LYS A 37 30.403 -52.465 -7.148 1.00 50.40 C ATOM 607 CE LYS A 37 29.210 -52.571 -6.211 1.00 32.42 C ATOM 608 NZ LYS A 37 29.455 -51.874 -4.918 1.00 45.44 N ATOM 0 H LYS A 37 31.647 -54.819 -6.073 1.00 50.23 H new ATOM 0 HA LYS A 37 29.185 -55.301 -7.250 1.00 24.00 H new ATOM 0 HB2 LYS A 37 31.909 -54.454 -8.133 1.00 5.22 H new ATOM 0 HB3 LYS A 37 30.841 -55.029 -9.398 1.00 5.22 H new ATOM 0 HG2 LYS A 37 30.546 -52.665 -9.279 1.00 54.54 H new ATOM 0 HG3 LYS A 37 29.103 -53.381 -8.588 1.00 54.54 H new ATOM 0 HD2 LYS A 37 31.295 -52.843 -6.648 1.00 50.40 H new ATOM 0 HD3 LYS A 37 30.590 -51.417 -7.384 1.00 50.40 H new ATOM 0 HE2 LYS A 37 28.331 -52.143 -6.693 1.00 32.42 H new ATOM 0 HE3 LYS A 37 28.990 -53.622 -6.021 1.00 32.42 H new ATOM 0 HZ1 LYS A 37 28.618 -51.970 -4.308 1.00 45.44 H new ATOM 0 HZ2 LYS A 37 30.278 -52.298 -4.445 1.00 45.44 H new ATOM 0 HZ3 LYS A 37 29.640 -50.866 -5.096 1.00 45.44 H new ATOM 622 N PRO A 38 29.352 -57.267 -8.939 1.00 12.45 N ATOM 623 CA PRO A 38 29.262 -58.575 -9.593 1.00 72.20 C ATOM 624 C PRO A 38 30.444 -58.843 -10.518 1.00 70.21 C ATOM 625 O PRO A 38 30.960 -57.931 -11.165 1.00 14.32 O ATOM 626 CB PRO A 38 27.963 -58.481 -10.398 1.00 44.52 C ATOM 627 CG PRO A 38 27.777 -57.023 -10.646 1.00 33.40 C ATOM 628 CD PRO A 38 28.339 -56.323 -9.440 1.00 15.02 C ATOM 0 HA PRO A 38 29.274 -59.393 -8.872 1.00 72.20 H new ATOM 0 HB2 PRO A 38 28.036 -59.036 -11.333 1.00 44.52 H new ATOM 0 HB3 PRO A 38 27.123 -58.899 -9.844 1.00 44.52 H new ATOM 0 HG2 PRO A 38 28.294 -56.712 -11.554 1.00 33.40 H new ATOM 0 HG3 PRO A 38 26.723 -56.782 -10.781 1.00 33.40 H new ATOM 0 HD2 PRO A 38 28.781 -55.362 -9.703 1.00 15.02 H new ATOM 0 HD3 PRO A 38 27.569 -56.127 -8.694 1.00 15.02 H new ATOM 636 N THR A 39 30.870 -60.101 -10.578 1.00 31.23 N ATOM 637 CA THR A 39 31.992 -60.489 -11.423 1.00 73.12 C ATOM 638 C THR A 39 31.533 -60.774 -12.849 1.00 1.32 C ATOM 639 O THR A 39 32.332 -61.152 -13.706 1.00 23.15 O ATOM 640 CB THR A 39 32.709 -61.734 -10.869 1.00 31.45 C ATOM 641 OG1 THR A 39 32.751 -61.679 -9.438 1.00 61.03 O ATOM 642 CG2 THR A 39 34.123 -61.834 -11.419 1.00 65.32 C ATOM 0 H THR A 39 30.454 -60.869 -10.051 1.00 31.23 H new ATOM 0 HA THR A 39 32.688 -59.650 -11.428 1.00 73.12 H new ATOM 0 HB THR A 39 32.151 -62.617 -11.182 1.00 31.45 H new ATOM 0 HG1 THR A 39 33.207 -62.475 -9.093 1.00 61.03 H new ATOM 0 HG21 THR A 39 34.609 -62.721 -11.013 1.00 65.32 H new ATOM 0 HG22 THR A 39 34.086 -61.905 -12.506 1.00 65.32 H new ATOM 0 HG23 THR A 39 34.688 -60.947 -11.132 1.00 65.32 H new ATOM 650 N LYS A 40 30.241 -60.589 -13.098 1.00 1.33 N ATOM 651 CA LYS A 40 29.675 -60.823 -14.421 1.00 21.52 C ATOM 652 C LYS A 40 30.389 -59.984 -15.475 1.00 3.30 C ATOM 653 O LYS A 40 30.474 -60.374 -16.640 1.00 2.44 O ATOM 654 CB LYS A 40 28.179 -60.500 -14.423 1.00 4.40 C ATOM 655 CG LYS A 40 27.347 -61.464 -13.595 1.00 41.44 C ATOM 656 CD LYS A 40 26.817 -62.610 -14.440 1.00 40.13 C ATOM 657 CE LYS A 40 25.471 -62.269 -15.061 1.00 12.12 C ATOM 658 NZ LYS A 40 25.237 -63.019 -16.326 1.00 2.11 N ATOM 0 H LYS A 40 29.566 -60.277 -12.400 1.00 1.33 H new ATOM 0 HA LYS A 40 29.813 -61.876 -14.666 1.00 21.52 H new ATOM 0 HB2 LYS A 40 28.034 -59.489 -14.043 1.00 4.40 H new ATOM 0 HB3 LYS A 40 27.815 -60.509 -15.450 1.00 4.40 H new ATOM 0 HG2 LYS A 40 27.952 -61.861 -12.780 1.00 41.44 H new ATOM 0 HG3 LYS A 40 26.513 -60.929 -13.141 1.00 41.44 H new ATOM 0 HD2 LYS A 40 27.533 -62.844 -15.228 1.00 40.13 H new ATOM 0 HD3 LYS A 40 26.718 -63.503 -13.823 1.00 40.13 H new ATOM 0 HE2 LYS A 40 24.676 -62.497 -14.351 1.00 12.12 H new ATOM 0 HE3 LYS A 40 25.424 -61.198 -15.260 1.00 12.12 H new ATOM 0 HZ1 LYS A 40 24.309 -62.759 -16.718 1.00 2.11 H new ATOM 0 HZ2 LYS A 40 25.981 -62.782 -17.013 1.00 2.11 H new ATOM 0 HZ3 LYS A 40 25.257 -64.041 -16.133 1.00 2.11 H new ATOM 672 N ARG A 41 30.902 -58.831 -15.058 1.00 44.35 N ATOM 673 CA ARG A 41 31.610 -57.937 -15.967 1.00 53.52 C ATOM 674 C ARG A 41 32.833 -58.625 -16.564 1.00 65.15 C ATOM 675 O ARG A 41 33.277 -58.284 -17.661 1.00 12.21 O ATOM 676 CB ARG A 41 32.035 -56.662 -15.235 1.00 32.40 C ATOM 677 CG ARG A 41 32.891 -56.923 -14.007 1.00 2.24 C ATOM 678 CD ARG A 41 33.539 -55.644 -13.498 1.00 31.41 C ATOM 679 NE ARG A 41 32.580 -54.777 -12.819 1.00 75.41 N ATOM 680 CZ ARG A 41 32.927 -53.700 -12.123 1.00 75.42 C ATOM 681 NH1 ARG A 41 34.203 -53.360 -12.015 1.00 43.34 N ATOM 682 NH2 ARG A 41 31.995 -52.961 -11.534 1.00 23.31 N ATOM 0 H ARG A 41 30.841 -58.494 -14.097 1.00 44.35 H new ATOM 0 HA ARG A 41 30.931 -57.673 -16.778 1.00 53.52 H new ATOM 0 HB2 ARG A 41 32.588 -56.024 -15.924 1.00 32.40 H new ATOM 0 HB3 ARG A 41 31.144 -56.110 -14.936 1.00 32.40 H new ATOM 0 HG2 ARG A 41 32.276 -57.359 -13.220 1.00 2.24 H new ATOM 0 HG3 ARG A 41 33.664 -57.653 -14.249 1.00 2.24 H new ATOM 0 HD2 ARG A 41 34.348 -55.896 -12.813 1.00 31.41 H new ATOM 0 HD3 ARG A 41 33.985 -55.106 -14.334 1.00 31.41 H new ATOM 0 HE ARG A 41 31.589 -55.011 -12.883 1.00 75.41 H new ATOM 0 HH11 ARG A 41 34.922 -53.926 -12.467 1.00 43.34 H new ATOM 0 HH12 ARG A 41 34.467 -52.533 -11.480 1.00 43.34 H new ATOM 0 HH21 ARG A 41 31.012 -53.220 -11.616 1.00 23.31 H new ATOM 0 HH22 ARG A 41 32.262 -52.134 -11.000 1.00 23.31 H new ATOM 696 N SER A 42 33.375 -59.596 -15.835 1.00 52.42 N ATOM 697 CA SER A 42 34.550 -60.329 -16.291 1.00 31.24 C ATOM 698 C SER A 42 34.258 -61.069 -17.593 1.00 14.23 C ATOM 699 O SER A 42 33.109 -61.156 -18.026 1.00 54.12 O ATOM 700 CB SER A 42 35.005 -61.321 -15.219 1.00 21.25 C ATOM 701 OG SER A 42 36.174 -62.011 -15.625 1.00 42.14 O ATOM 0 H SER A 42 33.019 -59.893 -14.926 1.00 52.42 H new ATOM 0 HA SER A 42 35.348 -59.610 -16.474 1.00 31.24 H new ATOM 0 HB2 SER A 42 35.198 -60.790 -14.287 1.00 21.25 H new ATOM 0 HB3 SER A 42 34.207 -62.037 -15.020 1.00 21.25 H new ATOM 0 HG SER A 42 36.445 -62.637 -14.922 1.00 42.14 H new ATOM 707 N PHE A 43 35.306 -61.600 -18.212 1.00 64.30 N ATOM 708 CA PHE A 43 35.164 -62.332 -19.465 1.00 61.13 C ATOM 709 C PHE A 43 34.574 -63.718 -19.222 1.00 22.10 C ATOM 710 O PHE A 43 33.936 -64.296 -20.102 1.00 54.33 O ATOM 711 CB PHE A 43 36.520 -62.458 -20.164 1.00 14.22 C ATOM 712 CG PHE A 43 37.086 -61.142 -20.615 1.00 11.22 C ATOM 713 CD1 PHE A 43 36.975 -60.741 -21.937 1.00 22.44 C ATOM 714 CD2 PHE A 43 37.729 -60.305 -19.717 1.00 65.40 C ATOM 715 CE1 PHE A 43 37.495 -59.531 -22.355 1.00 11.21 C ATOM 716 CE2 PHE A 43 38.251 -59.094 -20.129 1.00 53.44 C ATOM 717 CZ PHE A 43 38.134 -58.706 -21.450 1.00 64.41 C ATOM 0 H PHE A 43 36.264 -61.537 -17.867 1.00 64.30 H new ATOM 0 HA PHE A 43 34.483 -61.774 -20.107 1.00 61.13 H new ATOM 0 HB2 PHE A 43 37.227 -62.935 -19.485 1.00 14.22 H new ATOM 0 HB3 PHE A 43 36.415 -63.115 -21.028 1.00 14.22 H new ATOM 0 HD1 PHE A 43 36.476 -61.382 -22.649 1.00 22.44 H new ATOM 0 HD2 PHE A 43 37.823 -60.603 -18.683 1.00 65.40 H new ATOM 0 HE1 PHE A 43 37.402 -59.231 -23.388 1.00 11.21 H new ATOM 0 HE2 PHE A 43 38.750 -58.451 -19.419 1.00 53.44 H new ATOM 0 HZ PHE A 43 38.541 -57.760 -21.774 1.00 64.41 H new ATOM 727 N ILE A 44 34.793 -64.245 -18.022 1.00 64.42 N ATOM 728 CA ILE A 44 34.284 -65.563 -17.663 1.00 14.34 C ATOM 729 C ILE A 44 32.790 -65.671 -17.949 1.00 33.01 C ATOM 730 O ILE A 44 32.283 -66.751 -18.251 1.00 52.32 O ATOM 731 CB ILE A 44 34.534 -65.877 -16.176 1.00 10.42 C ATOM 732 CG1 ILE A 44 33.812 -64.860 -15.289 1.00 32.32 C ATOM 733 CG2 ILE A 44 36.026 -65.881 -15.879 1.00 42.43 C ATOM 734 CD1 ILE A 44 32.448 -65.324 -14.825 1.00 45.24 C ATOM 0 H ILE A 44 35.319 -63.780 -17.282 1.00 64.42 H new ATOM 0 HA ILE A 44 34.823 -66.287 -18.274 1.00 14.34 H new ATOM 0 HB ILE A 44 34.137 -66.868 -15.958 1.00 10.42 H new ATOM 0 HG12 ILE A 44 34.430 -64.647 -14.417 1.00 32.32 H new ATOM 0 HG13 ILE A 44 33.702 -63.925 -15.838 1.00 32.32 H new ATOM 0 HG21 ILE A 44 36.186 -66.104 -14.824 1.00 42.43 H new ATOM 0 HG22 ILE A 44 36.516 -66.639 -16.489 1.00 42.43 H new ATOM 0 HG23 ILE A 44 36.446 -64.902 -16.110 1.00 42.43 H new ATOM 0 HD11 ILE A 44 31.994 -64.554 -14.201 1.00 45.24 H new ATOM 0 HD12 ILE A 44 31.813 -65.510 -15.691 1.00 45.24 H new ATOM 0 HD13 ILE A 44 32.553 -66.243 -14.248 1.00 45.24 H new ATOM 746 N GLU A 45 32.091 -64.544 -17.853 1.00 20.11 N ATOM 747 CA GLU A 45 30.655 -64.513 -18.103 1.00 12.11 C ATOM 748 C GLU A 45 30.324 -65.143 -19.453 1.00 34.24 C ATOM 749 O GLU A 45 29.311 -65.828 -19.598 1.00 22.40 O ATOM 750 CB GLU A 45 30.138 -63.073 -18.059 1.00 62.34 C ATOM 751 CG GLU A 45 28.629 -62.964 -18.197 1.00 11.23 C ATOM 752 CD GLU A 45 28.187 -61.607 -18.710 1.00 33.11 C ATOM 753 OE1 GLU A 45 29.047 -60.710 -18.829 1.00 50.43 O ATOM 754 OE2 GLU A 45 26.981 -61.443 -18.992 1.00 5.23 O ATOM 0 H GLU A 45 32.496 -63.641 -17.604 1.00 20.11 H new ATOM 0 HA GLU A 45 30.163 -65.092 -17.321 1.00 12.11 H new ATOM 0 HB2 GLU A 45 30.442 -62.615 -17.118 1.00 62.34 H new ATOM 0 HB3 GLU A 45 30.610 -62.502 -18.859 1.00 62.34 H new ATOM 0 HG2 GLU A 45 28.273 -63.739 -18.876 1.00 11.23 H new ATOM 0 HG3 GLU A 45 28.165 -63.151 -17.229 1.00 11.23 H new ATOM 761 N ASP A 46 31.184 -64.906 -20.437 1.00 12.44 N ATOM 762 CA ASP A 46 30.984 -65.450 -21.775 1.00 10.32 C ATOM 763 C ASP A 46 31.396 -66.917 -21.832 1.00 31.43 C ATOM 764 O ASP A 46 30.886 -67.685 -22.649 1.00 20.21 O ATOM 765 CB ASP A 46 31.782 -64.643 -22.801 1.00 34.13 C ATOM 766 CG ASP A 46 31.503 -65.082 -24.225 1.00 41.40 C ATOM 767 OD1 ASP A 46 30.619 -64.479 -24.870 1.00 4.22 O ATOM 768 OD2 ASP A 46 32.170 -66.027 -24.695 1.00 75.02 O ATOM 0 H ASP A 46 32.027 -64.341 -20.333 1.00 12.44 H new ATOM 0 HA ASP A 46 29.923 -65.380 -22.014 1.00 10.32 H new ATOM 0 HB2 ASP A 46 31.540 -63.586 -22.696 1.00 34.13 H new ATOM 0 HB3 ASP A 46 32.847 -64.748 -22.593 1.00 34.13 H new ATOM 773 N LEU A 47 32.322 -67.301 -20.960 1.00 10.22 N ATOM 774 CA LEU A 47 32.804 -68.677 -20.911 1.00 51.20 C ATOM 775 C LEU A 47 31.656 -69.647 -20.650 1.00 40.21 C ATOM 776 O LEU A 47 31.591 -70.724 -21.245 1.00 4.50 O ATOM 777 CB LEU A 47 33.870 -68.826 -19.824 1.00 61.44 C ATOM 778 CG LEU A 47 34.883 -69.953 -20.029 1.00 22.33 C ATOM 779 CD1 LEU A 47 35.924 -69.554 -21.063 1.00 72.45 C ATOM 780 CD2 LEU A 47 35.551 -70.316 -18.710 1.00 40.42 C ATOM 0 H LEU A 47 32.754 -66.679 -20.277 1.00 10.22 H new ATOM 0 HA LEU A 47 33.245 -68.917 -21.879 1.00 51.20 H new ATOM 0 HB2 LEU A 47 34.414 -67.885 -19.745 1.00 61.44 H new ATOM 0 HB3 LEU A 47 33.368 -68.985 -18.870 1.00 61.44 H new ATOM 0 HG LEU A 47 34.352 -70.830 -20.398 1.00 22.33 H new ATOM 0 HD11 LEU A 47 36.636 -70.368 -21.195 1.00 72.45 H new ATOM 0 HD12 LEU A 47 35.432 -69.344 -22.013 1.00 72.45 H new ATOM 0 HD13 LEU A 47 36.451 -68.663 -20.723 1.00 72.45 H new ATOM 0 HD21 LEU A 47 36.269 -71.120 -18.875 1.00 40.42 H new ATOM 0 HD22 LEU A 47 36.069 -69.443 -18.312 1.00 40.42 H new ATOM 0 HD23 LEU A 47 34.795 -70.645 -17.998 1.00 40.42 H new ATOM 792 N LEU A 48 30.751 -69.258 -19.759 1.00 52.10 N ATOM 793 CA LEU A 48 29.603 -70.092 -19.421 1.00 32.14 C ATOM 794 C LEU A 48 28.673 -70.251 -20.619 1.00 53.30 C ATOM 795 O LEU A 48 27.982 -71.261 -20.753 1.00 12.15 O ATOM 796 CB LEU A 48 28.837 -69.487 -18.243 1.00 1.41 C ATOM 797 CG LEU A 48 29.354 -69.847 -16.850 1.00 33.54 C ATOM 798 CD1 LEU A 48 29.241 -71.345 -16.610 1.00 13.02 C ATOM 799 CD2 LEU A 48 30.793 -69.385 -16.678 1.00 63.23 C ATOM 0 H LEU A 48 30.790 -68.371 -19.258 1.00 52.10 H new ATOM 0 HA LEU A 48 29.973 -71.078 -19.138 1.00 32.14 H new ATOM 0 HB2 LEU A 48 28.852 -68.402 -18.345 1.00 1.41 H new ATOM 0 HB3 LEU A 48 27.795 -69.800 -18.314 1.00 1.41 H new ATOM 0 HG LEU A 48 28.739 -69.333 -16.111 1.00 33.54 H new ATOM 0 HD11 LEU A 48 29.614 -71.583 -15.614 1.00 13.02 H new ATOM 0 HD12 LEU A 48 28.197 -71.648 -16.689 1.00 13.02 H new ATOM 0 HD13 LEU A 48 29.831 -71.878 -17.355 1.00 13.02 H new ATOM 0 HD21 LEU A 48 31.143 -69.650 -15.680 1.00 63.23 H new ATOM 0 HD22 LEU A 48 31.422 -69.870 -17.424 1.00 63.23 H new ATOM 0 HD23 LEU A 48 30.846 -68.304 -16.806 1.00 63.23 H new ATOM 811 N PHE A 49 28.662 -69.247 -21.490 1.00 11.01 N ATOM 812 CA PHE A 49 27.818 -69.275 -22.679 1.00 33.34 C ATOM 813 C PHE A 49 28.458 -70.114 -23.781 1.00 3.12 C ATOM 814 O PHE A 49 27.765 -70.731 -24.588 1.00 50.54 O ATOM 815 CB PHE A 49 27.566 -67.854 -23.185 1.00 53.31 C ATOM 816 CG PHE A 49 26.507 -67.120 -22.411 1.00 64.55 C ATOM 817 CD1 PHE A 49 25.199 -67.576 -22.399 1.00 51.22 C ATOM 818 CD2 PHE A 49 26.821 -65.976 -21.697 1.00 2.51 C ATOM 819 CE1 PHE A 49 24.223 -66.904 -21.688 1.00 53.40 C ATOM 820 CE2 PHE A 49 25.849 -65.300 -20.984 1.00 4.54 C ATOM 821 CZ PHE A 49 24.548 -65.763 -20.980 1.00 64.42 C ATOM 0 H PHE A 49 29.228 -68.404 -21.395 1.00 11.01 H new ATOM 0 HA PHE A 49 26.866 -69.730 -22.407 1.00 33.34 H new ATOM 0 HB2 PHE A 49 28.497 -67.289 -23.137 1.00 53.31 H new ATOM 0 HB3 PHE A 49 27.274 -67.897 -24.234 1.00 53.31 H new ATOM 0 HD1 PHE A 49 24.939 -68.467 -22.952 1.00 51.22 H new ATOM 0 HD2 PHE A 49 27.836 -65.608 -21.697 1.00 2.51 H new ATOM 0 HE1 PHE A 49 23.207 -67.270 -21.686 1.00 53.40 H new ATOM 0 HE2 PHE A 49 26.107 -64.410 -20.430 1.00 4.54 H new ATOM 0 HZ PHE A 49 23.787 -65.235 -20.425 1.00 64.42 H new ATOM 831 N ASN A 50 29.787 -70.130 -23.807 1.00 21.42 N ATOM 832 CA ASN A 50 30.522 -70.892 -24.810 1.00 45.20 C ATOM 833 C ASN A 50 30.130 -72.366 -24.770 1.00 1.42 C ATOM 834 O ASN A 50 30.196 -73.065 -25.781 1.00 25.32 O ATOM 835 CB ASN A 50 32.029 -70.747 -24.587 1.00 22.33 C ATOM 836 CG ASN A 50 32.832 -71.744 -25.400 1.00 24.12 C ATOM 837 OD1 ASN A 50 32.749 -71.771 -26.628 1.00 11.02 O ATOM 838 ND2 ASN A 50 33.616 -72.570 -24.716 1.00 71.13 N ATOM 0 H ASN A 50 30.376 -69.624 -23.146 1.00 21.42 H new ATOM 0 HA ASN A 50 30.266 -70.494 -25.792 1.00 45.20 H new ATOM 0 HB2 ASN A 50 32.337 -69.735 -24.851 1.00 22.33 H new ATOM 0 HB3 ASN A 50 32.252 -70.882 -23.529 1.00 22.33 H new ATOM 0 HD21 ASN A 50 34.180 -73.262 -25.208 1.00 71.13 H new ATOM 0 HD22 ASN A 50 33.653 -72.512 -23.698 1.00 71.13 H new ATOM 845 N LYS A 51 29.721 -72.831 -23.595 1.00 35.32 N ATOM 846 CA LYS A 51 29.315 -74.221 -23.421 1.00 61.12 C ATOM 847 C LYS A 51 28.123 -74.556 -24.312 1.00 43.45 C ATOM 848 O LYS A 51 27.950 -75.700 -24.731 1.00 22.41 O ATOM 849 CB LYS A 51 28.962 -74.492 -21.957 1.00 2.21 C ATOM 850 CG LYS A 51 30.144 -74.361 -21.012 1.00 63.12 C ATOM 851 CD LYS A 51 29.727 -74.567 -19.565 1.00 44.45 C ATOM 852 CE LYS A 51 29.290 -76.001 -19.310 1.00 12.42 C ATOM 853 NZ LYS A 51 29.549 -76.417 -17.904 1.00 34.23 N ATOM 0 H LYS A 51 29.662 -72.266 -22.748 1.00 35.32 H new ATOM 0 HA LYS A 51 30.152 -74.856 -23.710 1.00 61.12 H new ATOM 0 HB2 LYS A 51 28.180 -73.799 -21.646 1.00 2.21 H new ATOM 0 HB3 LYS A 51 28.549 -75.497 -21.872 1.00 2.21 H new ATOM 0 HG2 LYS A 51 30.907 -75.092 -21.279 1.00 63.12 H new ATOM 0 HG3 LYS A 51 30.594 -73.375 -21.125 1.00 63.12 H new ATOM 0 HD2 LYS A 51 30.559 -74.316 -18.906 1.00 44.45 H new ATOM 0 HD3 LYS A 51 28.910 -73.888 -19.320 1.00 44.45 H new ATOM 0 HE2 LYS A 51 28.227 -76.101 -19.529 1.00 12.42 H new ATOM 0 HE3 LYS A 51 29.819 -76.669 -19.990 1.00 12.42 H new ATOM 0 HZ1 LYS A 51 29.238 -77.400 -17.770 1.00 34.23 H new ATOM 0 HZ2 LYS A 51 30.567 -76.346 -17.703 1.00 34.23 H new ATOM 0 HZ3 LYS A 51 29.024 -75.796 -17.256 1.00 34.23 H new ATOM 867 N VAL A 52 27.305 -73.549 -24.601 1.00 15.24 N ATOM 868 CA VAL A 52 26.130 -73.736 -25.445 1.00 4.23 C ATOM 869 C VAL A 52 25.440 -75.061 -25.141 1.00 4.25 C ATOM 870 O VAL A 52 24.958 -75.745 -26.044 1.00 2.10 O ATOM 871 CB VAL A 52 26.501 -73.694 -26.939 1.00 40.21 C ATOM 872 CG1 VAL A 52 27.394 -74.871 -27.301 1.00 50.33 C ATOM 873 CG2 VAL A 52 25.246 -73.682 -27.799 1.00 0.34 C ATOM 0 H VAL A 52 27.434 -72.595 -24.263 1.00 15.24 H new ATOM 0 HA VAL A 52 25.447 -72.916 -25.224 1.00 4.23 H new ATOM 0 HB VAL A 52 27.055 -72.776 -27.132 1.00 40.21 H new ATOM 0 HG11 VAL A 52 27.646 -74.824 -28.361 1.00 50.33 H new ATOM 0 HG12 VAL A 52 28.308 -74.830 -26.709 1.00 50.33 H new ATOM 0 HG13 VAL A 52 26.869 -75.803 -27.094 1.00 50.33 H new ATOM 0 HG21 VAL A 52 25.527 -73.652 -28.852 1.00 0.34 H new ATOM 0 HG22 VAL A 52 24.663 -74.582 -27.604 1.00 0.34 H new ATOM 0 HG23 VAL A 52 24.648 -72.803 -27.558 1.00 0.34 H new ATOM 883 N THR A 53 25.396 -75.419 -23.861 1.00 12.41 N ATOM 884 CA THR A 53 24.765 -76.662 -23.436 1.00 64.25 C ATOM 885 C THR A 53 23.282 -76.674 -23.787 1.00 31.02 C ATOM 886 O THR A 53 22.683 -77.736 -23.961 1.00 60.22 O ATOM 887 CB THR A 53 24.925 -76.884 -21.921 1.00 21.24 C ATOM 888 OG1 THR A 53 24.974 -75.624 -21.243 1.00 42.53 O ATOM 889 CG2 THR A 53 26.188 -77.677 -21.620 1.00 2.32 C ATOM 0 H THR A 53 25.790 -74.865 -23.101 1.00 12.41 H new ATOM 0 HA THR A 53 25.268 -77.469 -23.968 1.00 64.25 H new ATOM 0 HB THR A 53 24.065 -77.453 -21.567 1.00 21.24 H new ATOM 0 HG1 THR A 53 25.074 -75.774 -20.280 1.00 42.53 H new ATOM 0 HG21 THR A 53 26.279 -77.821 -20.543 1.00 2.32 H new ATOM 0 HG22 THR A 53 26.134 -78.648 -22.113 1.00 2.32 H new ATOM 0 HG23 THR A 53 27.057 -77.131 -21.988 1.00 2.32 H new ATOM 897 N LEU A 54 22.694 -75.487 -23.889 1.00 74.43 N ATOM 898 CA LEU A 54 21.278 -75.361 -24.220 1.00 64.02 C ATOM 899 C LEU A 54 20.957 -76.085 -25.524 1.00 22.13 C ATOM 900 O LEU A 54 19.829 -76.526 -25.738 1.00 73.33 O ATOM 901 CB LEU A 54 20.891 -73.886 -24.334 1.00 51.31 C ATOM 902 CG LEU A 54 19.395 -73.577 -24.257 1.00 43.31 C ATOM 903 CD1 LEU A 54 19.167 -72.177 -23.707 1.00 31.52 C ATOM 904 CD2 LEU A 54 18.749 -73.725 -25.627 1.00 32.23 C ATOM 0 H LEU A 54 23.175 -74.599 -23.748 1.00 74.43 H new ATOM 0 HA LEU A 54 20.700 -75.821 -23.419 1.00 64.02 H new ATOM 0 HB2 LEU A 54 21.397 -73.336 -23.540 1.00 51.31 H new ATOM 0 HB3 LEU A 54 21.273 -73.503 -25.280 1.00 51.31 H new ATOM 0 HG LEU A 54 18.930 -74.292 -23.579 1.00 43.31 H new ATOM 0 HD11 LEU A 54 18.097 -71.975 -23.659 1.00 31.52 H new ATOM 0 HD12 LEU A 54 19.595 -72.105 -22.707 1.00 31.52 H new ATOM 0 HD13 LEU A 54 19.646 -71.447 -24.360 1.00 31.52 H new ATOM 0 HD21 LEU A 54 17.685 -73.501 -25.553 1.00 32.23 H new ATOM 0 HD22 LEU A 54 19.218 -73.033 -26.327 1.00 32.23 H new ATOM 0 HD23 LEU A 54 18.881 -74.747 -25.983 1.00 32.23 H new ATOM 916 N ALA A 55 21.958 -76.205 -26.390 1.00 31.20 N ATOM 917 CA ALA A 55 21.783 -76.880 -27.670 1.00 42.53 C ATOM 918 C ALA A 55 21.210 -78.280 -27.480 1.00 4.24 C ATOM 919 O ALA A 55 20.475 -78.781 -28.330 1.00 71.22 O ATOM 920 CB ALA A 55 23.107 -76.946 -28.417 1.00 2.01 C ATOM 0 H ALA A 55 22.898 -75.844 -26.228 1.00 31.20 H new ATOM 0 HA ALA A 55 21.072 -76.303 -28.262 1.00 42.53 H new ATOM 0 HB1 ALA A 55 22.962 -77.453 -29.371 1.00 2.01 H new ATOM 0 HB2 ALA A 55 23.475 -75.936 -28.595 1.00 2.01 H new ATOM 0 HB3 ALA A 55 23.834 -77.497 -27.821 1.00 2.01 H new ATOM 926 N ASP A 56 21.552 -78.906 -26.359 1.00 65.23 N ATOM 927 CA ASP A 56 21.072 -80.249 -26.057 1.00 33.42 C ATOM 928 C ASP A 56 19.550 -80.269 -25.944 1.00 65.52 C ATOM 929 O ASP A 56 18.905 -81.254 -26.302 1.00 32.24 O ATOM 930 CB ASP A 56 21.698 -80.758 -24.758 1.00 25.03 C ATOM 931 CG ASP A 56 21.678 -82.271 -24.658 1.00 54.33 C ATOM 932 OD1 ASP A 56 22.133 -82.935 -25.613 1.00 54.23 O ATOM 933 OD2 ASP A 56 21.207 -82.790 -23.625 1.00 70.41 O ATOM 0 H ASP A 56 22.160 -78.505 -25.645 1.00 65.23 H new ATOM 0 HA ASP A 56 21.367 -80.906 -26.875 1.00 33.42 H new ATOM 0 HB2 ASP A 56 22.728 -80.406 -24.692 1.00 25.03 H new ATOM 0 HB3 ASP A 56 21.162 -80.334 -23.909 1.00 25.03 H new ATOM 938 N ALA A 57 18.985 -79.176 -25.444 1.00 12.10 N ATOM 939 CA ALA A 57 17.540 -79.068 -25.285 1.00 11.30 C ATOM 940 C ALA A 57 16.831 -79.165 -26.631 1.00 53.34 C ATOM 941 O ALA A 57 15.675 -79.580 -26.707 1.00 10.42 O ATOM 942 CB ALA A 57 17.182 -77.762 -24.590 1.00 73.25 C ATOM 0 H ALA A 57 19.505 -78.352 -25.142 1.00 12.10 H new ATOM 0 HA ALA A 57 17.204 -79.900 -24.666 1.00 11.30 H new ATOM 0 HB1 ALA A 57 16.100 -77.694 -24.478 1.00 73.25 H new ATOM 0 HB2 ALA A 57 17.651 -77.733 -23.607 1.00 73.25 H new ATOM 0 HB3 ALA A 57 17.538 -76.923 -25.187 1.00 73.25 H new ATOM 948 N GLY A 58 17.531 -78.778 -27.694 1.00 22.35 N ATOM 949 CA GLY A 58 16.951 -78.829 -29.023 1.00 5.10 C ATOM 950 C GLY A 58 17.050 -80.207 -29.647 1.00 3.15 C ATOM 951 O GLY A 58 16.302 -80.534 -30.568 1.00 23.50 O ATOM 0 H GLY A 58 18.489 -78.430 -27.658 1.00 22.35 H new ATOM 0 HA2 GLY A 58 15.904 -78.532 -28.970 1.00 5.10 H new ATOM 0 HA3 GLY A 58 17.456 -78.106 -29.664 1.00 5.10 H new ATOM 955 N PHE A 59 17.977 -81.017 -29.145 1.00 11.42 N ATOM 956 CA PHE A 59 18.173 -82.366 -29.661 1.00 30.55 C ATOM 957 C PHE A 59 16.938 -83.228 -29.412 1.00 63.15 C ATOM 958 O PHE A 59 16.651 -84.153 -30.172 1.00 51.31 O ATOM 959 CB PHE A 59 19.398 -83.011 -29.009 1.00 21.31 C ATOM 960 CG PHE A 59 19.756 -84.347 -29.596 1.00 2.40 C ATOM 961 CD1 PHE A 59 20.199 -84.446 -30.905 1.00 73.51 C ATOM 962 CD2 PHE A 59 19.650 -85.502 -28.839 1.00 32.03 C ATOM 963 CE1 PHE A 59 20.529 -85.674 -31.448 1.00 45.33 C ATOM 964 CE2 PHE A 59 19.980 -86.732 -29.376 1.00 55.23 C ATOM 965 CZ PHE A 59 20.419 -86.818 -30.683 1.00 53.00 C ATOM 0 H PHE A 59 18.604 -80.762 -28.382 1.00 11.42 H new ATOM 0 HA PHE A 59 18.336 -82.297 -30.737 1.00 30.55 H new ATOM 0 HB2 PHE A 59 20.250 -82.339 -29.110 1.00 21.31 H new ATOM 0 HB3 PHE A 59 19.211 -83.130 -27.942 1.00 21.31 H new ATOM 0 HD1 PHE A 59 20.288 -83.554 -31.508 1.00 73.51 H new ATOM 0 HD2 PHE A 59 19.305 -85.441 -27.817 1.00 32.03 H new ATOM 0 HE1 PHE A 59 20.873 -85.738 -32.470 1.00 45.33 H new ATOM 0 HE2 PHE A 59 19.895 -87.625 -28.774 1.00 55.23 H new ATOM 0 HZ PHE A 59 20.676 -87.778 -31.106 1.00 53.00 H new ATOM 975 N MET A 60 16.213 -82.918 -28.343 1.00 54.32 N ATOM 976 CA MET A 60 15.008 -83.663 -27.995 1.00 5.12 C ATOM 977 C MET A 60 14.033 -83.698 -29.167 1.00 31.51 C ATOM 978 O MET A 60 13.235 -84.627 -29.296 1.00 14.12 O ATOM 979 CB MET A 60 14.333 -83.039 -26.772 1.00 54.13 C ATOM 980 CG MET A 60 13.694 -81.688 -27.054 1.00 64.31 C ATOM 981 SD MET A 60 11.923 -81.809 -27.370 1.00 63.41 S ATOM 982 CE MET A 60 11.329 -82.339 -25.766 1.00 14.24 C ATOM 0 H MET A 60 16.438 -82.157 -27.703 1.00 54.32 H new ATOM 0 HA MET A 60 15.299 -84.686 -27.758 1.00 5.12 H new ATOM 0 HB2 MET A 60 13.570 -83.722 -26.400 1.00 54.13 H new ATOM 0 HB3 MET A 60 15.072 -82.924 -25.979 1.00 54.13 H new ATOM 0 HG2 MET A 60 13.863 -81.026 -26.205 1.00 64.31 H new ATOM 0 HG3 MET A 60 14.182 -81.232 -27.915 1.00 64.31 H new ATOM 0 HE1 MET A 60 10.304 -81.996 -25.626 1.00 14.24 H new ATOM 0 HE2 MET A 60 11.359 -83.427 -25.708 1.00 14.24 H new ATOM 0 HE3 MET A 60 11.962 -81.917 -24.986 1.00 14.24 H new ATOM 992 N LYS A 61 14.102 -82.682 -30.020 1.00 1.25 N ATOM 993 CA LYS A 61 13.226 -82.596 -31.182 1.00 21.50 C ATOM 994 C LYS A 61 13.299 -83.874 -32.013 1.00 14.33 C ATOM 995 O LYS A 61 12.316 -84.275 -32.636 1.00 23.20 O ATOM 996 CB LYS A 61 13.606 -81.392 -32.045 1.00 44.45 C ATOM 997 CG LYS A 61 12.614 -81.104 -33.159 1.00 42.00 C ATOM 998 CD LYS A 61 13.135 -80.037 -34.108 1.00 35.22 C ATOM 999 CE LYS A 61 13.111 -78.659 -33.464 1.00 23.41 C ATOM 1000 NZ LYS A 61 14.365 -78.378 -32.711 1.00 12.12 N ATOM 0 H LYS A 61 14.757 -81.905 -29.928 1.00 1.25 H new ATOM 0 HA LYS A 61 12.203 -82.472 -30.827 1.00 21.50 H new ATOM 0 HB2 LYS A 61 13.690 -80.511 -31.408 1.00 44.45 H new ATOM 0 HB3 LYS A 61 14.590 -81.565 -32.482 1.00 44.45 H new ATOM 0 HG2 LYS A 61 12.414 -82.020 -33.715 1.00 42.00 H new ATOM 0 HG3 LYS A 61 11.667 -80.779 -32.729 1.00 42.00 H new ATOM 0 HD2 LYS A 61 14.154 -80.282 -34.408 1.00 35.22 H new ATOM 0 HD3 LYS A 61 12.529 -80.027 -35.014 1.00 35.22 H new ATOM 0 HE2 LYS A 61 12.972 -77.900 -34.234 1.00 23.41 H new ATOM 0 HE3 LYS A 61 12.258 -78.588 -32.789 1.00 23.41 H new ATOM 0 HZ1 LYS A 61 14.138 -78.205 -31.711 1.00 12.12 H new ATOM 0 HZ2 LYS A 61 15.004 -79.195 -32.784 1.00 12.12 H new ATOM 0 HZ3 LYS A 61 14.829 -77.538 -33.111 1.00 12.12 H new ATOM 1014 N GLN A 62 14.467 -84.507 -32.015 1.00 31.30 N ATOM 1015 CA GLN A 62 14.666 -85.740 -32.769 1.00 14.52 C ATOM 1016 C GLN A 62 13.631 -86.789 -32.378 1.00 75.45 C ATOM 1017 O GLN A 62 13.060 -87.463 -33.237 1.00 44.23 O ATOM 1018 CB GLN A 62 16.076 -86.284 -32.534 1.00 34.32 C ATOM 1019 CG GLN A 62 16.382 -87.543 -33.329 1.00 50.25 C ATOM 1020 CD GLN A 62 16.760 -87.247 -34.767 1.00 43.33 C ATOM 1021 OE1 GLN A 62 17.812 -86.667 -35.038 1.00 3.34 O ATOM 1022 NE2 GLN A 62 15.902 -87.645 -35.699 1.00 44.45 N ATOM 0 H GLN A 62 15.290 -84.187 -31.504 1.00 31.30 H new ATOM 0 HA GLN A 62 14.544 -85.513 -33.828 1.00 14.52 H new ATOM 0 HB2 GLN A 62 16.802 -85.514 -32.795 1.00 34.32 H new ATOM 0 HB3 GLN A 62 16.203 -86.495 -31.472 1.00 34.32 H new ATOM 0 HG2 GLN A 62 17.197 -88.084 -32.847 1.00 50.25 H new ATOM 0 HG3 GLN A 62 15.511 -88.199 -33.314 1.00 50.25 H new ATOM 0 HE21 GLN A 62 15.042 -88.122 -35.430 1.00 44.45 H new ATOM 0 HE22 GLN A 62 16.103 -87.473 -36.684 1.00 44.45 H new ATOM 1031 N TYR A 63 13.393 -86.924 -31.079 1.00 11.25 N ATOM 1032 CA TYR A 63 12.428 -87.894 -30.574 1.00 42.12 C ATOM 1033 C TYR A 63 11.014 -87.540 -31.023 1.00 52.23 C ATOM 1034 O TYR A 63 10.169 -88.416 -31.201 1.00 32.13 O ATOM 1035 CB TYR A 63 12.489 -87.959 -29.047 1.00 43.42 C ATOM 1036 CG TYR A 63 11.601 -89.026 -28.450 1.00 74.54 C ATOM 1037 CD1 TYR A 63 10.403 -88.694 -27.829 1.00 51.33 C ATOM 1038 CD2 TYR A 63 11.959 -90.368 -28.507 1.00 13.34 C ATOM 1039 CE1 TYR A 63 9.588 -89.666 -27.282 1.00 10.20 C ATOM 1040 CE2 TYR A 63 11.149 -91.346 -27.963 1.00 63.54 C ATOM 1041 CZ TYR A 63 9.965 -90.991 -27.352 1.00 2.40 C ATOM 1042 OH TYR A 63 9.157 -91.963 -26.808 1.00 51.44 O ATOM 0 H TYR A 63 13.855 -86.374 -30.355 1.00 11.25 H new ATOM 0 HA TYR A 63 12.686 -88.871 -30.983 1.00 42.12 H new ATOM 0 HB2 TYR A 63 13.519 -88.142 -28.741 1.00 43.42 H new ATOM 0 HB3 TYR A 63 12.203 -86.990 -28.639 1.00 43.42 H new ATOM 0 HD1 TYR A 63 10.104 -87.658 -27.773 1.00 51.33 H new ATOM 0 HD2 TYR A 63 12.886 -90.651 -28.984 1.00 13.34 H new ATOM 0 HE1 TYR A 63 8.661 -89.390 -26.802 1.00 10.20 H new ATOM 0 HE2 TYR A 63 11.442 -92.384 -28.016 1.00 63.54 H new ATOM 0 HH TYR A 63 9.567 -92.843 -26.943 1.00 51.44 H new ATOM 1052 N GLY A 64 10.764 -86.247 -31.206 1.00 42.41 N ATOM 1053 CA GLY A 64 9.452 -85.798 -31.633 1.00 50.44 C ATOM 1054 C GLY A 64 8.971 -86.514 -32.880 1.00 24.44 C ATOM 1055 O GLY A 64 9.754 -87.169 -33.567 1.00 43.11 O ATOM 0 H GLY A 64 11.447 -85.502 -31.066 1.00 42.41 H new ATOM 0 HA2 GLY A 64 8.736 -85.959 -30.827 1.00 50.44 H new ATOM 0 HA3 GLY A 64 9.483 -84.725 -31.823 1.00 50.44 H new ATOM 1059 N GLU A 65 7.680 -86.392 -33.170 1.00 51.11 N ATOM 1060 CA GLU A 65 7.096 -87.036 -34.341 1.00 25.11 C ATOM 1061 C GLU A 65 7.011 -86.061 -35.512 1.00 34.50 C ATOM 1062 O GLU A 65 6.031 -86.056 -36.256 1.00 51.34 O ATOM 1063 CB GLU A 65 5.704 -87.579 -34.011 1.00 42.44 C ATOM 1064 CG GLU A 65 4.764 -86.533 -33.437 1.00 54.54 C ATOM 1065 CD GLU A 65 3.316 -86.983 -33.445 1.00 13.01 C ATOM 1066 OE1 GLU A 65 2.734 -87.127 -32.349 1.00 23.30 O ATOM 1067 OE2 GLU A 65 2.764 -87.191 -34.546 1.00 22.34 O ATOM 0 H GLU A 65 7.019 -85.853 -32.611 1.00 51.11 H new ATOM 0 HA GLU A 65 7.742 -87.866 -34.628 1.00 25.11 H new ATOM 0 HB2 GLU A 65 5.262 -87.996 -34.916 1.00 42.44 H new ATOM 0 HB3 GLU A 65 5.802 -88.398 -33.298 1.00 42.44 H new ATOM 0 HG2 GLU A 65 5.063 -86.303 -32.415 1.00 54.54 H new ATOM 0 HG3 GLU A 65 4.857 -85.611 -34.012 1.00 54.54 H new TER 1074 GLU A 65