USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=12 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 Set 1.1: A 50 ASN : amide:sc= -0.108 X(o=0.59,f=0.42) USER MOD Set 1.2: A 53 THR OG1 : rot -31:sc= 0.703 USER MOD Single : A 3 ASN : amide:sc= -0.0028 X(o=-0.0028,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.163 K(o=-0.16,f=-1.9!) USER MOD Single : A 12 LYS NZ :NH3+ -153:sc= -0.0997 (180deg=-0.563) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.99) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.463 USER MOD Single : A 19 THR OG1 : rot 56:sc= 0.0139 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= -0.557 K(o=-0.56,f=-2.3) USER MOD Single : A 29 SER OG : rot 180:sc= 0.015 USER MOD Single : A 30 GLN : amide:sc= -0.0169 K(o=-0.017,f=-1.4) 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 -79:sc= 0.0302 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.0137 X(o=-0.014,f=-0.035) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 4.624 -7.698 -3.994 1.00 31.44 N ATOM 2 CA PRO A 1 3.903 -8.961 -4.179 1.00 72.14 C ATOM 3 C PRO A 1 3.655 -9.687 -2.861 1.00 42.33 C ATOM 4 O PRO A 1 4.535 -9.752 -2.003 1.00 2.52 O ATOM 5 CB PRO A 1 4.841 -9.778 -5.071 1.00 43.43 C ATOM 6 CG PRO A 1 6.198 -9.224 -4.801 1.00 53.33 C ATOM 7 CD PRO A 1 5.998 -7.760 -4.518 1.00 65.33 C ATOM 0 H2 PRO A 1 4.651 -7.466 -3.001 1.00 31.44 H new ATOM 0 H3 PRO A 1 4.117 -6.947 -4.462 1.00 31.44 H new ATOM 0 HA PRO A 1 2.913 -8.805 -4.607 1.00 72.14 H new ATOM 0 HB2 PRO A 1 4.792 -10.840 -4.830 1.00 43.43 H new ATOM 0 HB3 PRO A 1 4.574 -9.677 -6.123 1.00 43.43 H new ATOM 0 HG2 PRO A 1 6.663 -9.726 -3.952 1.00 53.33 H new ATOM 0 HG3 PRO A 1 6.857 -9.370 -5.657 1.00 53.33 H new ATOM 0 HD2 PRO A 1 6.722 -7.389 -3.793 1.00 65.33 H new ATOM 0 HD3 PRO A 1 6.112 -7.157 -5.419 1.00 65.33 H new ATOM 15 N ARG A 2 2.453 -10.231 -2.708 1.00 33.32 N ATOM 16 CA ARG A 2 2.090 -10.952 -1.493 1.00 53.24 C ATOM 17 C ARG A 2 2.431 -12.434 -1.618 1.00 52.21 C ATOM 18 O ARG A 2 1.550 -13.290 -1.561 1.00 73.42 O ATOM 19 CB ARG A 2 0.597 -10.784 -1.202 1.00 4.30 C ATOM 20 CG ARG A 2 0.260 -9.492 -0.475 1.00 45.03 C ATOM 21 CD ARG A 2 0.522 -8.276 -1.350 1.00 63.01 C ATOM 22 NE ARG A 2 1.896 -7.797 -1.224 1.00 1.30 N ATOM 23 CZ ARG A 2 2.304 -6.610 -1.661 1.00 74.42 C ATOM 24 NH1 ARG A 2 1.447 -5.787 -2.249 1.00 51.14 N ATOM 25 NH2 ARG A 2 3.570 -6.245 -1.510 1.00 23.42 N ATOM 0 H ARG A 2 1.714 -10.187 -3.409 1.00 33.32 H new ATOM 0 HA ARG A 2 2.664 -10.533 -0.666 1.00 53.24 H new ATOM 0 HB2 ARG A 2 0.046 -10.816 -2.142 1.00 4.30 H new ATOM 0 HB3 ARG A 2 0.255 -11.628 -0.603 1.00 4.30 H new ATOM 0 HG2 ARG A 2 -0.787 -9.506 -0.173 1.00 45.03 H new ATOM 0 HG3 ARG A 2 0.854 -9.421 0.436 1.00 45.03 H new ATOM 0 HD2 ARG A 2 0.320 -8.528 -2.391 1.00 63.01 H new ATOM 0 HD3 ARG A 2 -0.167 -7.477 -1.076 1.00 63.01 H new ATOM 0 HE ARG A 2 2.580 -8.407 -0.776 1.00 1.30 H new ATOM 0 HH11 ARG A 2 0.473 -6.064 -2.367 1.00 51.14 H new ATOM 0 HH12 ARG A 2 1.762 -4.876 -2.584 1.00 51.14 H new ATOM 0 HH21 ARG A 2 4.232 -6.876 -1.058 1.00 23.42 H new ATOM 0 HH22 ARG A 2 3.882 -5.334 -1.846 1.00 23.42 H new ATOM 39 N ASN A 3 3.716 -12.728 -1.789 1.00 13.31 N ATOM 40 CA ASN A 3 4.173 -14.106 -1.923 1.00 22.01 C ATOM 41 C ASN A 3 5.029 -14.514 -0.727 1.00 40.34 C ATOM 42 O ASN A 3 4.983 -15.659 -0.278 1.00 32.33 O ATOM 43 CB ASN A 3 4.971 -14.277 -3.217 1.00 71.03 C ATOM 44 CG ASN A 3 5.583 -15.659 -3.341 1.00 0.01 C ATOM 45 OD1 ASN A 3 6.794 -15.801 -3.514 1.00 13.43 O ATOM 46 ND2 ASN A 3 4.746 -16.687 -3.253 1.00 4.51 N ATOM 0 H ASN A 3 4.459 -12.031 -1.838 1.00 13.31 H new ATOM 0 HA ASN A 3 3.296 -14.752 -1.957 1.00 22.01 H new ATOM 0 HB2 ASN A 3 4.318 -14.094 -4.070 1.00 71.03 H new ATOM 0 HB3 ASN A 3 5.762 -13.528 -3.255 1.00 71.03 H new ATOM 0 HD21 ASN A 3 5.100 -17.641 -3.329 1.00 4.51 H new ATOM 0 HD22 ASN A 3 3.750 -16.523 -3.109 1.00 4.51 H new ATOM 53 N THR A 4 5.810 -13.568 -0.216 1.00 4.43 N ATOM 54 CA THR A 4 6.677 -13.827 0.927 1.00 61.42 C ATOM 55 C THR A 4 5.879 -14.351 2.115 1.00 75.41 C ATOM 56 O THR A 4 6.384 -15.136 2.917 1.00 24.23 O ATOM 57 CB THR A 4 7.439 -12.558 1.354 1.00 34.53 C ATOM 58 OG1 THR A 4 6.515 -11.494 1.606 1.00 54.01 O ATOM 59 CG2 THR A 4 8.429 -12.134 0.280 1.00 32.12 C ATOM 0 H THR A 4 5.860 -12.615 -0.576 1.00 4.43 H new ATOM 0 HA THR A 4 7.395 -14.584 0.613 1.00 61.42 H new ATOM 0 HB THR A 4 7.992 -12.782 2.266 1.00 34.53 H new ATOM 0 HG1 THR A 4 7.007 -10.691 1.879 1.00 54.01 H new ATOM 0 HG21 THR A 4 8.955 -11.236 0.604 1.00 32.12 H new ATOM 0 HG22 THR A 4 9.149 -12.935 0.112 1.00 32.12 H new ATOM 0 HG23 THR A 4 7.894 -11.927 -0.647 1.00 32.12 H new ATOM 67 N ARG A 5 4.628 -13.913 2.221 1.00 23.31 N ATOM 68 CA ARG A 5 3.760 -14.338 3.312 1.00 31.42 C ATOM 69 C ARG A 5 3.549 -15.849 3.282 1.00 22.42 C ATOM 70 O ARG A 5 3.283 -16.469 4.312 1.00 44.43 O ATOM 71 CB ARG A 5 2.410 -13.623 3.227 1.00 45.22 C ATOM 72 CG ARG A 5 2.510 -12.115 3.387 1.00 13.44 C ATOM 73 CD ARG A 5 2.698 -11.721 4.844 1.00 2.31 C ATOM 74 NE ARG A 5 2.412 -10.307 5.070 1.00 2.51 N ATOM 75 CZ ARG A 5 2.286 -9.766 6.277 1.00 44.11 C ATOM 76 NH1 ARG A 5 2.421 -10.517 7.361 1.00 61.41 N ATOM 77 NH2 ARG A 5 2.026 -8.471 6.401 1.00 12.22 N ATOM 0 H ARG A 5 4.194 -13.264 1.565 1.00 23.31 H new ATOM 0 HA ARG A 5 4.245 -14.074 4.252 1.00 31.42 H new ATOM 0 HB2 ARG A 5 1.949 -13.848 2.265 1.00 45.22 H new ATOM 0 HB3 ARG A 5 1.749 -14.019 3.998 1.00 45.22 H new ATOM 0 HG2 ARG A 5 3.346 -11.740 2.797 1.00 13.44 H new ATOM 0 HG3 ARG A 5 1.607 -11.646 2.995 1.00 13.44 H new ATOM 0 HD2 ARG A 5 2.044 -12.328 5.471 1.00 2.31 H new ATOM 0 HD3 ARG A 5 3.722 -11.937 5.149 1.00 2.31 H new ATOM 0 HE ARG A 5 2.303 -9.701 4.257 1.00 2.51 H new ATOM 0 HH11 ARG A 5 2.622 -11.513 7.270 1.00 61.41 H new ATOM 0 HH12 ARG A 5 2.324 -10.099 8.286 1.00 61.41 H new ATOM 0 HH21 ARG A 5 1.923 -7.890 5.569 1.00 12.22 H new ATOM 0 HH22 ARG A 5 1.929 -8.057 7.328 1.00 12.22 H new ATOM 91 N GLU A 6 3.669 -16.435 2.095 1.00 64.11 N ATOM 92 CA GLU A 6 3.491 -17.873 1.932 1.00 74.04 C ATOM 93 C GLU A 6 4.728 -18.632 2.401 1.00 23.13 C ATOM 94 O GLU A 6 5.396 -19.301 1.613 1.00 64.20 O ATOM 95 CB GLU A 6 3.197 -18.210 0.468 1.00 1.02 C ATOM 96 CG GLU A 6 1.853 -17.695 -0.017 1.00 55.12 C ATOM 97 CD GLU A 6 0.685 -18.375 0.671 1.00 55.52 C ATOM 98 OE1 GLU A 6 -0.460 -17.907 0.496 1.00 52.25 O ATOM 99 OE2 GLU A 6 0.915 -19.373 1.384 1.00 33.11 O ATOM 0 H GLU A 6 3.889 -15.936 1.233 1.00 64.11 H new ATOM 0 HA GLU A 6 2.644 -18.180 2.546 1.00 74.04 H new ATOM 0 HB2 GLU A 6 3.985 -17.790 -0.158 1.00 1.02 H new ATOM 0 HB3 GLU A 6 3.230 -19.292 0.339 1.00 1.02 H new ATOM 0 HG2 GLU A 6 1.796 -16.620 0.156 1.00 55.12 H new ATOM 0 HG3 GLU A 6 1.776 -17.849 -1.093 1.00 55.12 H new ATOM 106 N VAL A 7 5.028 -18.522 3.692 1.00 62.33 N ATOM 107 CA VAL A 7 6.185 -19.198 4.268 1.00 53.12 C ATOM 108 C VAL A 7 6.202 -20.675 3.891 1.00 22.13 C ATOM 109 O VAL A 7 7.266 -21.275 3.735 1.00 2.45 O ATOM 110 CB VAL A 7 6.202 -19.070 5.803 1.00 62.43 C ATOM 111 CG1 VAL A 7 7.428 -19.760 6.382 1.00 1.41 C ATOM 112 CG2 VAL A 7 6.158 -17.607 6.216 1.00 51.02 C ATOM 0 H VAL A 7 4.486 -17.972 4.358 1.00 62.33 H new ATOM 0 HA VAL A 7 7.072 -18.712 3.861 1.00 53.12 H new ATOM 0 HB VAL A 7 5.315 -19.563 6.202 1.00 62.43 H new ATOM 0 HG11 VAL A 7 7.423 -19.659 7.467 1.00 1.41 H new ATOM 0 HG12 VAL A 7 7.411 -20.817 6.115 1.00 1.41 H new ATOM 0 HG13 VAL A 7 8.330 -19.299 5.979 1.00 1.41 H new ATOM 0 HG21 VAL A 7 6.171 -17.535 7.304 1.00 51.02 H new ATOM 0 HG22 VAL A 7 7.025 -17.088 5.808 1.00 51.02 H new ATOM 0 HG23 VAL A 7 5.247 -17.148 5.833 1.00 51.02 H new ATOM 122 N PHE A 8 5.016 -21.257 3.746 1.00 63.00 N ATOM 123 CA PHE A 8 4.895 -22.665 3.388 1.00 74.42 C ATOM 124 C PHE A 8 5.647 -22.965 2.095 1.00 44.33 C ATOM 125 O PHE A 8 6.245 -24.030 1.944 1.00 33.02 O ATOM 126 CB PHE A 8 3.421 -23.049 3.234 1.00 4.11 C ATOM 127 CG PHE A 8 2.743 -23.358 4.538 1.00 1.42 C ATOM 128 CD1 PHE A 8 2.929 -24.583 5.158 1.00 52.21 C ATOM 129 CD2 PHE A 8 1.919 -22.423 5.144 1.00 3.40 C ATOM 130 CE1 PHE A 8 2.306 -24.870 6.358 1.00 4.13 C ATOM 131 CE2 PHE A 8 1.295 -22.704 6.344 1.00 13.14 C ATOM 132 CZ PHE A 8 1.487 -23.929 6.952 1.00 65.54 C ATOM 0 H PHE A 8 4.126 -20.775 3.871 1.00 63.00 H new ATOM 0 HA PHE A 8 5.337 -23.257 4.190 1.00 74.42 H new ATOM 0 HB2 PHE A 8 2.891 -22.233 2.742 1.00 4.11 H new ATOM 0 HB3 PHE A 8 3.346 -23.918 2.580 1.00 4.11 H new ATOM 0 HD1 PHE A 8 3.568 -25.322 4.698 1.00 52.21 H new ATOM 0 HD2 PHE A 8 1.763 -21.464 4.673 1.00 3.40 H new ATOM 0 HE1 PHE A 8 2.459 -25.829 6.831 1.00 4.13 H new ATOM 0 HE2 PHE A 8 0.657 -21.966 6.807 1.00 13.14 H new ATOM 0 HZ PHE A 8 0.998 -24.151 7.889 1.00 65.54 H new ATOM 142 N ALA A 9 5.613 -22.017 1.164 1.00 52.30 N ATOM 143 CA ALA A 9 6.292 -22.177 -0.116 1.00 22.34 C ATOM 144 C ALA A 9 7.757 -21.765 -0.015 1.00 52.20 C ATOM 145 O ALA A 9 8.599 -22.244 -0.774 1.00 31.45 O ATOM 146 CB ALA A 9 5.587 -21.367 -1.193 1.00 75.41 C ATOM 0 H ALA A 9 5.122 -21.130 1.273 1.00 52.30 H new ATOM 0 HA ALA A 9 6.256 -23.232 -0.389 1.00 22.34 H new ATOM 0 HB1 ALA A 9 6.105 -21.496 -2.143 1.00 75.41 H new ATOM 0 HB2 ALA A 9 4.557 -21.711 -1.291 1.00 75.41 H new ATOM 0 HB3 ALA A 9 5.592 -20.312 -0.917 1.00 75.41 H new ATOM 152 N GLN A 10 8.052 -20.873 0.925 1.00 44.10 N ATOM 153 CA GLN A 10 9.416 -20.395 1.123 1.00 71.54 C ATOM 154 C GLN A 10 10.357 -21.553 1.439 1.00 4.34 C ATOM 155 O GLN A 10 11.547 -21.502 1.126 1.00 31.53 O ATOM 156 CB GLN A 10 9.459 -19.364 2.251 1.00 0.21 C ATOM 157 CG GLN A 10 9.084 -17.959 1.806 1.00 21.42 C ATOM 158 CD GLN A 10 10.249 -17.214 1.185 1.00 13.42 C ATOM 159 OE1 GLN A 10 11.410 -17.563 1.399 1.00 32.13 O ATOM 160 NE2 GLN A 10 9.944 -16.179 0.410 1.00 31.22 N ATOM 0 H GLN A 10 7.366 -20.467 1.561 1.00 44.10 H new ATOM 0 HA GLN A 10 9.747 -19.923 0.198 1.00 71.54 H new ATOM 0 HB2 GLN A 10 8.781 -19.678 3.045 1.00 0.21 H new ATOM 0 HB3 GLN A 10 10.462 -19.346 2.677 1.00 0.21 H new ATOM 0 HG2 GLN A 10 8.268 -18.016 1.085 1.00 21.42 H new ATOM 0 HG3 GLN A 10 8.714 -17.397 2.663 1.00 21.42 H new ATOM 0 HE21 GLN A 10 8.968 -15.925 0.260 1.00 31.22 H new ATOM 0 HE22 GLN A 10 10.686 -15.639 -0.035 1.00 31.22 H new ATOM 169 N VAL A 11 9.817 -22.595 2.063 1.00 61.11 N ATOM 170 CA VAL A 11 10.609 -23.766 2.422 1.00 53.33 C ATOM 171 C VAL A 11 11.367 -24.308 1.215 1.00 54.51 C ATOM 172 O VAL A 11 12.440 -24.894 1.354 1.00 60.41 O ATOM 173 CB VAL A 11 9.724 -24.885 3.003 1.00 2.42 C ATOM 174 CG1 VAL A 11 8.796 -25.442 1.935 1.00 43.24 C ATOM 175 CG2 VAL A 11 10.585 -25.987 3.601 1.00 20.11 C ATOM 0 H VAL A 11 8.834 -22.652 2.330 1.00 61.11 H new ATOM 0 HA VAL A 11 11.322 -23.445 3.181 1.00 53.33 H new ATOM 0 HB VAL A 11 9.110 -24.463 3.798 1.00 2.42 H new ATOM 0 HG11 VAL A 11 8.179 -26.231 2.365 1.00 43.24 H new ATOM 0 HG12 VAL A 11 8.155 -24.645 1.558 1.00 43.24 H new ATOM 0 HG13 VAL A 11 9.388 -25.850 1.115 1.00 43.24 H new ATOM 0 HG21 VAL A 11 9.944 -26.770 4.007 1.00 20.11 H new ATOM 0 HG22 VAL A 11 11.226 -26.408 2.827 1.00 20.11 H new ATOM 0 HG23 VAL A 11 11.203 -25.574 4.398 1.00 20.11 H new ATOM 185 N LYS A 12 10.801 -24.107 0.029 1.00 5.43 N ATOM 186 CA LYS A 12 11.424 -24.573 -1.204 1.00 54.22 C ATOM 187 C LYS A 12 12.804 -23.950 -1.387 1.00 12.42 C ATOM 188 O LYS A 12 13.747 -24.621 -1.803 1.00 22.53 O ATOM 189 CB LYS A 12 10.537 -24.236 -2.406 1.00 23.05 C ATOM 190 CG LYS A 12 11.074 -24.765 -3.724 1.00 50.45 C ATOM 191 CD LYS A 12 10.458 -26.108 -4.079 1.00 51.52 C ATOM 192 CE LYS A 12 11.364 -27.260 -3.676 1.00 22.53 C ATOM 193 NZ LYS A 12 12.649 -27.246 -4.429 1.00 33.20 N ATOM 0 H LYS A 12 9.912 -23.625 -0.104 1.00 5.43 H new ATOM 0 HA LYS A 12 11.540 -25.655 -1.136 1.00 54.22 H new ATOM 0 HB2 LYS A 12 9.541 -24.646 -2.238 1.00 23.05 H new ATOM 0 HB3 LYS A 12 10.429 -23.154 -2.475 1.00 23.05 H new ATOM 0 HG2 LYS A 12 10.865 -24.047 -4.517 1.00 50.45 H new ATOM 0 HG3 LYS A 12 12.158 -24.866 -3.662 1.00 50.45 H new ATOM 0 HD2 LYS A 12 9.494 -26.210 -3.581 1.00 51.52 H new ATOM 0 HD3 LYS A 12 10.269 -26.151 -5.152 1.00 51.52 H new ATOM 0 HE2 LYS A 12 11.569 -27.204 -2.607 1.00 22.53 H new ATOM 0 HE3 LYS A 12 10.850 -28.205 -3.853 1.00 22.53 H new ATOM 0 HZ1 LYS A 12 13.024 -28.214 -4.494 1.00 33.20 H new ATOM 0 HZ2 LYS A 12 12.486 -26.873 -5.386 1.00 33.20 H new ATOM 0 HZ3 LYS A 12 13.335 -26.641 -3.934 1.00 33.20 H new ATOM 207 N GLN A 13 12.914 -22.663 -1.072 1.00 34.00 N ATOM 208 CA GLN A 13 14.179 -21.951 -1.201 1.00 43.21 C ATOM 209 C GLN A 13 15.287 -22.665 -0.434 1.00 32.42 C ATOM 210 O GLN A 13 16.462 -22.563 -0.783 1.00 64.41 O ATOM 211 CB GLN A 13 14.035 -20.515 -0.693 1.00 21.20 C ATOM 212 CG GLN A 13 13.065 -19.676 -1.508 1.00 55.12 C ATOM 213 CD GLN A 13 13.278 -18.187 -1.318 1.00 33.24 C ATOM 214 OE1 GLN A 13 14.048 -17.764 -0.455 1.00 32.01 O ATOM 215 NE2 GLN A 13 12.595 -17.383 -2.124 1.00 60.02 N ATOM 0 H GLN A 13 12.142 -22.093 -0.726 1.00 34.00 H new ATOM 0 HA GLN A 13 14.448 -21.930 -2.257 1.00 43.21 H new ATOM 0 HB2 GLN A 13 13.701 -20.537 0.344 1.00 21.20 H new ATOM 0 HB3 GLN A 13 15.014 -20.035 -0.702 1.00 21.20 H new ATOM 0 HG2 GLN A 13 13.175 -19.923 -2.564 1.00 55.12 H new ATOM 0 HG3 GLN A 13 12.044 -19.932 -1.226 1.00 55.12 H new ATOM 0 HE21 GLN A 13 11.968 -17.777 -2.825 1.00 60.02 H new ATOM 0 HE22 GLN A 13 12.698 -16.371 -2.042 1.00 60.02 H new ATOM 224 N MET A 14 14.903 -23.388 0.613 1.00 30.24 N ATOM 225 CA MET A 14 15.864 -24.121 1.430 1.00 43.44 C ATOM 226 C MET A 14 16.747 -25.012 0.562 1.00 40.24 C ATOM 227 O MET A 14 17.963 -25.067 0.747 1.00 10.21 O ATOM 228 CB MET A 14 15.137 -24.967 2.476 1.00 71.21 C ATOM 229 CG MET A 14 16.005 -25.340 3.666 1.00 24.33 C ATOM 230 SD MET A 14 16.883 -26.897 3.425 1.00 1.20 S ATOM 231 CE MET A 14 15.778 -28.040 4.251 1.00 45.25 C ATOM 0 H MET A 14 13.934 -23.482 0.916 1.00 30.24 H new ATOM 0 HA MET A 14 16.499 -23.395 1.939 1.00 43.44 H new ATOM 0 HB2 MET A 14 14.264 -24.420 2.831 1.00 71.21 H new ATOM 0 HB3 MET A 14 14.771 -25.879 2.004 1.00 71.21 H new ATOM 0 HG2 MET A 14 16.728 -24.544 3.847 1.00 24.33 H new ATOM 0 HG3 MET A 14 15.381 -25.413 4.557 1.00 24.33 H new ATOM 0 HE1 MET A 14 16.185 -29.049 4.188 1.00 45.25 H new ATOM 0 HE2 MET A 14 15.676 -27.755 5.298 1.00 45.25 H new ATOM 0 HE3 MET A 14 14.800 -28.012 3.770 1.00 45.25 H new ATOM 241 N TYR A 15 16.128 -25.708 -0.385 1.00 53.11 N ATOM 242 CA TYR A 15 16.857 -26.599 -1.280 1.00 2.33 C ATOM 243 C TYR A 15 16.898 -26.034 -2.696 1.00 63.04 C ATOM 244 O TYR A 15 16.230 -26.538 -3.599 1.00 34.53 O ATOM 245 CB TYR A 15 16.212 -27.986 -1.290 1.00 40.40 C ATOM 246 CG TYR A 15 17.175 -29.099 -1.634 1.00 44.00 C ATOM 247 CD1 TYR A 15 17.899 -29.076 -2.820 1.00 3.11 C ATOM 248 CD2 TYR A 15 17.361 -30.174 -0.774 1.00 62.21 C ATOM 249 CE1 TYR A 15 18.780 -30.091 -3.139 1.00 22.31 C ATOM 250 CE2 TYR A 15 18.241 -31.193 -1.084 1.00 71.12 C ATOM 251 CZ TYR A 15 18.948 -31.147 -2.268 1.00 31.34 C ATOM 252 OH TYR A 15 19.824 -32.161 -2.581 1.00 21.12 O ATOM 0 H TYR A 15 15.123 -25.672 -0.553 1.00 53.11 H new ATOM 0 HA TYR A 15 17.880 -26.684 -0.913 1.00 2.33 H new ATOM 0 HB2 TYR A 15 15.778 -28.183 -0.310 1.00 40.40 H new ATOM 0 HB3 TYR A 15 15.392 -27.991 -2.008 1.00 40.40 H new ATOM 0 HD1 TYR A 15 17.771 -28.250 -3.504 1.00 3.11 H new ATOM 0 HD2 TYR A 15 16.808 -30.214 0.153 1.00 62.21 H new ATOM 0 HE1 TYR A 15 19.334 -30.058 -4.065 1.00 22.31 H new ATOM 0 HE2 TYR A 15 18.375 -32.021 -0.403 1.00 71.12 H new ATOM 0 HH TYR A 15 19.825 -32.826 -1.861 1.00 21.12 H new ATOM 262 N LYS A 16 17.689 -24.983 -2.885 1.00 23.24 N ATOM 263 CA LYS A 16 17.822 -24.349 -4.191 1.00 14.44 C ATOM 264 C LYS A 16 18.238 -25.365 -5.250 1.00 14.45 C ATOM 265 O LYS A 16 17.966 -25.186 -6.437 1.00 70.24 O ATOM 266 CB LYS A 16 18.846 -23.213 -4.128 1.00 30.44 C ATOM 267 CG LYS A 16 18.246 -21.873 -3.740 1.00 34.21 C ATOM 268 CD LYS A 16 17.657 -21.157 -4.944 1.00 15.04 C ATOM 269 CE LYS A 16 18.738 -20.491 -5.780 1.00 62.24 C ATOM 270 NZ LYS A 16 18.202 -19.353 -6.577 1.00 35.20 N ATOM 0 H LYS A 16 18.248 -24.552 -2.149 1.00 23.24 H new ATOM 0 HA LYS A 16 16.851 -23.939 -4.468 1.00 14.44 H new ATOM 0 HB2 LYS A 16 19.623 -23.475 -3.410 1.00 30.44 H new ATOM 0 HB3 LYS A 16 19.330 -23.117 -5.100 1.00 30.44 H new ATOM 0 HG2 LYS A 16 17.470 -22.024 -2.990 1.00 34.21 H new ATOM 0 HG3 LYS A 16 19.013 -21.248 -3.283 1.00 34.21 H new ATOM 0 HD2 LYS A 16 17.107 -21.869 -5.559 1.00 15.04 H new ATOM 0 HD3 LYS A 16 16.941 -20.407 -4.608 1.00 15.04 H new ATOM 0 HE2 LYS A 16 19.534 -20.133 -5.126 1.00 62.24 H new ATOM 0 HE3 LYS A 16 19.183 -21.226 -6.451 1.00 62.24 H new ATOM 0 HZ1 LYS A 16 18.970 -18.926 -7.133 1.00 35.20 H new ATOM 0 HZ2 LYS A 16 17.460 -19.698 -7.219 1.00 35.20 H new ATOM 0 HZ3 LYS A 16 17.800 -18.639 -5.936 1.00 35.20 H new ATOM 284 N THR A 17 18.897 -26.433 -4.812 1.00 4.32 N ATOM 285 CA THR A 17 19.350 -27.477 -5.722 1.00 23.24 C ATOM 286 C THR A 17 20.404 -26.946 -6.687 1.00 74.53 C ATOM 287 O THR A 17 20.390 -27.242 -7.882 1.00 53.45 O ATOM 288 CB THR A 17 18.178 -28.065 -6.530 1.00 44.23 C ATOM 289 OG1 THR A 17 16.944 -27.831 -5.844 1.00 14.10 O ATOM 290 CG2 THR A 17 18.367 -29.558 -6.750 1.00 24.22 C ATOM 0 H THR A 17 19.129 -26.598 -3.832 1.00 4.32 H new ATOM 0 HA THR A 17 19.788 -28.264 -5.108 1.00 23.24 H new ATOM 0 HB THR A 17 18.152 -27.572 -7.502 1.00 44.23 H new ATOM 0 HG1 THR A 17 16.204 -28.207 -6.365 1.00 14.10 H new ATOM 0 HG21 THR A 17 17.527 -29.951 -7.323 1.00 24.22 H new ATOM 0 HG22 THR A 17 19.293 -29.731 -7.299 1.00 24.22 H new ATOM 0 HG23 THR A 17 18.417 -30.064 -5.786 1.00 24.22 H new ATOM 298 N PRO A 18 21.341 -26.145 -6.160 1.00 14.41 N ATOM 299 CA PRO A 18 22.420 -25.557 -6.959 1.00 2.25 C ATOM 300 C PRO A 18 23.433 -26.599 -7.421 1.00 33.00 C ATOM 301 O PRO A 18 23.875 -27.441 -6.638 1.00 44.53 O ATOM 302 CB PRO A 18 23.076 -24.566 -5.994 1.00 12.42 C ATOM 303 CG PRO A 18 22.769 -25.099 -4.637 1.00 5.32 C ATOM 304 CD PRO A 18 21.419 -25.750 -4.743 1.00 74.52 C ATOM 0 HA PRO A 18 22.046 -25.098 -7.874 1.00 2.25 H new ATOM 0 HB2 PRO A 18 24.151 -24.504 -6.161 1.00 12.42 H new ATOM 0 HB3 PRO A 18 22.674 -23.561 -6.125 1.00 12.42 H new ATOM 0 HG2 PRO A 18 23.525 -25.818 -4.320 1.00 5.32 H new ATOM 0 HG3 PRO A 18 22.759 -24.299 -3.897 1.00 5.32 H new ATOM 0 HD2 PRO A 18 21.335 -26.611 -4.080 1.00 74.52 H new ATOM 0 HD3 PRO A 18 20.618 -25.061 -4.473 1.00 74.52 H new ATOM 312 N THR A 19 23.797 -26.538 -8.698 1.00 52.12 N ATOM 313 CA THR A 19 24.757 -27.477 -9.265 1.00 13.30 C ATOM 314 C THR A 19 26.084 -26.791 -9.567 1.00 51.45 C ATOM 315 O THR A 19 26.406 -26.522 -10.726 1.00 20.13 O ATOM 316 CB THR A 19 24.218 -28.120 -10.557 1.00 0.41 C ATOM 317 OG1 THR A 19 23.590 -27.125 -11.374 1.00 34.43 O ATOM 318 CG2 THR A 19 23.222 -29.224 -10.237 1.00 60.12 C ATOM 0 H THR A 19 23.441 -25.848 -9.359 1.00 52.12 H new ATOM 0 HA THR A 19 24.916 -28.256 -8.519 1.00 13.30 H new ATOM 0 HB THR A 19 25.058 -28.556 -11.098 1.00 0.41 H new ATOM 0 HG1 THR A 19 24.226 -26.402 -11.556 1.00 34.43 H new ATOM 0 HG21 THR A 19 22.855 -29.663 -11.165 1.00 60.12 H new ATOM 0 HG22 THR A 19 23.711 -29.994 -9.640 1.00 60.12 H new ATOM 0 HG23 THR A 19 22.385 -28.808 -9.677 1.00 60.12 H new ATOM 326 N LEU A 20 26.851 -26.509 -8.520 1.00 63.52 N ATOM 327 CA LEU A 20 28.146 -25.855 -8.674 1.00 52.41 C ATOM 328 C LEU A 20 29.285 -26.858 -8.525 1.00 11.05 C ATOM 329 O LEU A 20 29.714 -27.166 -7.412 1.00 41.43 O ATOM 330 CB LEU A 20 28.299 -24.735 -7.643 1.00 53.22 C ATOM 331 CG LEU A 20 29.078 -23.502 -8.102 1.00 51.11 C ATOM 332 CD1 LEU A 20 30.513 -23.874 -8.443 1.00 54.43 C ATOM 333 CD2 LEU A 20 28.395 -22.853 -9.297 1.00 75.31 C ATOM 0 H LEU A 20 26.599 -26.723 -7.555 1.00 63.52 H new ATOM 0 HA LEU A 20 28.193 -25.428 -9.676 1.00 52.41 H new ATOM 0 HB2 LEU A 20 27.304 -24.416 -7.332 1.00 53.22 H new ATOM 0 HB3 LEU A 20 28.793 -25.145 -6.762 1.00 53.22 H new ATOM 0 HG LEU A 20 29.095 -22.782 -7.284 1.00 51.11 H new ATOM 0 HD11 LEU A 20 31.052 -22.984 -8.768 1.00 54.43 H new ATOM 0 HD12 LEU A 20 31.000 -24.292 -7.562 1.00 54.43 H new ATOM 0 HD13 LEU A 20 30.517 -24.613 -9.244 1.00 54.43 H new ATOM 0 HD21 LEU A 20 28.964 -21.977 -9.610 1.00 75.31 H new ATOM 0 HD22 LEU A 20 28.346 -23.566 -10.120 1.00 75.31 H new ATOM 0 HD23 LEU A 20 27.386 -22.550 -9.019 1.00 75.31 H new ATOM 345 N LYS A 21 29.772 -27.364 -9.652 1.00 64.21 N ATOM 346 CA LYS A 21 30.864 -28.330 -9.648 1.00 64.35 C ATOM 347 C LYS A 21 32.216 -27.624 -9.657 1.00 41.43 C ATOM 348 O LYS A 21 33.213 -28.165 -9.179 1.00 44.33 O ATOM 349 CB LYS A 21 30.755 -29.259 -10.860 1.00 32.54 C ATOM 350 CG LYS A 21 29.701 -30.342 -10.702 1.00 54.35 C ATOM 351 CD LYS A 21 30.102 -31.363 -9.652 1.00 25.22 C ATOM 352 CE LYS A 21 29.184 -32.575 -9.673 1.00 71.40 C ATOM 353 NZ LYS A 21 27.929 -32.334 -8.908 1.00 24.11 N ATOM 0 H LYS A 21 29.428 -27.121 -10.581 1.00 64.21 H new ATOM 0 HA LYS A 21 30.788 -28.921 -8.735 1.00 64.35 H new ATOM 0 HB2 LYS A 21 30.524 -28.664 -11.744 1.00 32.54 H new ATOM 0 HB3 LYS A 21 31.723 -29.728 -11.036 1.00 32.54 H new ATOM 0 HG2 LYS A 21 28.750 -29.887 -10.424 1.00 54.35 H new ATOM 0 HG3 LYS A 21 29.547 -30.843 -11.658 1.00 54.35 H new ATOM 0 HD2 LYS A 21 31.130 -31.681 -9.826 1.00 25.22 H new ATOM 0 HD3 LYS A 21 30.074 -30.901 -8.665 1.00 25.22 H new ATOM 0 HE2 LYS A 21 28.938 -32.826 -10.705 1.00 71.40 H new ATOM 0 HE3 LYS A 21 29.707 -33.434 -9.252 1.00 71.40 H new ATOM 0 HZ1 LYS A 21 27.330 -33.184 -8.946 1.00 24.11 H new ATOM 0 HZ2 LYS A 21 28.162 -32.119 -7.917 1.00 24.11 H new ATOM 0 HZ3 LYS A 21 27.417 -31.531 -9.325 1.00 24.11 H new ATOM 367 N TYR A 22 32.242 -26.412 -10.202 1.00 74.52 N ATOM 368 CA TYR A 22 33.471 -25.632 -10.274 1.00 24.33 C ATOM 369 C TYR A 22 34.123 -25.515 -8.899 1.00 71.12 C ATOM 370 O TYR A 22 35.345 -25.415 -8.785 1.00 14.23 O ATOM 371 CB TYR A 22 33.184 -24.239 -10.835 1.00 0.33 C ATOM 372 CG TYR A 22 34.411 -23.539 -11.375 1.00 55.22 C ATOM 373 CD1 TYR A 22 34.672 -23.508 -12.740 1.00 21.34 C ATOM 374 CD2 TYR A 22 35.308 -22.909 -10.522 1.00 61.10 C ATOM 375 CE1 TYR A 22 35.792 -22.871 -13.238 1.00 52.21 C ATOM 376 CE2 TYR A 22 36.429 -22.268 -11.012 1.00 4.13 C ATOM 377 CZ TYR A 22 36.667 -22.252 -12.370 1.00 40.33 C ATOM 378 OH TYR A 22 37.784 -21.615 -12.862 1.00 34.30 O ATOM 0 H TYR A 22 31.425 -25.949 -10.600 1.00 74.52 H new ATOM 0 HA TYR A 22 34.161 -26.149 -10.941 1.00 24.33 H new ATOM 0 HB2 TYR A 22 32.444 -24.322 -11.631 1.00 0.33 H new ATOM 0 HB3 TYR A 22 32.741 -23.625 -10.051 1.00 0.33 H new ATOM 0 HD1 TYR A 22 33.988 -23.990 -13.423 1.00 21.34 H new ATOM 0 HD2 TYR A 22 35.126 -22.921 -9.458 1.00 61.10 H new ATOM 0 HE1 TYR A 22 35.981 -22.858 -14.301 1.00 52.21 H new ATOM 0 HE2 TYR A 22 37.116 -21.782 -10.335 1.00 4.13 H new ATOM 0 HH TYR A 22 38.295 -21.230 -12.119 1.00 34.30 H new ATOM 388 N PHE A 23 33.298 -25.529 -7.857 1.00 72.25 N ATOM 389 CA PHE A 23 33.792 -25.424 -6.489 1.00 71.35 C ATOM 390 C PHE A 23 33.411 -26.659 -5.677 1.00 54.44 C ATOM 391 O PHE A 23 33.269 -26.593 -4.457 1.00 64.11 O ATOM 392 CB PHE A 23 33.235 -24.167 -5.819 1.00 2.23 C ATOM 393 CG PHE A 23 34.287 -23.329 -5.149 1.00 72.11 C ATOM 394 CD1 PHE A 23 34.340 -21.961 -5.360 1.00 53.22 C ATOM 395 CD2 PHE A 23 35.223 -23.910 -4.309 1.00 31.31 C ATOM 396 CE1 PHE A 23 35.306 -21.187 -4.745 1.00 51.02 C ATOM 397 CE2 PHE A 23 36.191 -23.142 -3.691 1.00 0.41 C ATOM 398 CZ PHE A 23 36.233 -21.778 -3.910 1.00 64.52 C ATOM 0 H PHE A 23 32.284 -25.612 -7.934 1.00 72.25 H new ATOM 0 HA PHE A 23 34.879 -25.356 -6.525 1.00 71.35 H new ATOM 0 HB2 PHE A 23 32.723 -23.563 -6.567 1.00 2.23 H new ATOM 0 HB3 PHE A 23 32.489 -24.459 -5.080 1.00 2.23 H new ATOM 0 HD1 PHE A 23 33.618 -21.494 -6.013 1.00 53.22 H new ATOM 0 HD2 PHE A 23 35.196 -24.976 -4.135 1.00 31.31 H new ATOM 0 HE1 PHE A 23 35.336 -20.121 -4.917 1.00 51.02 H new ATOM 0 HE2 PHE A 23 36.914 -23.607 -3.037 1.00 0.41 H new ATOM 0 HZ PHE A 23 36.989 -21.176 -3.429 1.00 64.52 H new ATOM 408 N GLY A 24 33.245 -27.784 -6.365 1.00 72.43 N ATOM 409 CA GLY A 24 32.881 -29.018 -5.693 1.00 13.22 C ATOM 410 C GLY A 24 33.090 -30.238 -6.567 1.00 70.40 C ATOM 411 O GLY A 24 33.960 -30.246 -7.437 1.00 12.20 O ATOM 0 H GLY A 24 33.356 -27.863 -7.376 1.00 72.43 H new ATOM 0 HA2 GLY A 24 33.473 -29.121 -4.783 1.00 13.22 H new ATOM 0 HA3 GLY A 24 31.835 -28.968 -5.389 1.00 13.22 H new ATOM 415 N GLY A 25 32.291 -31.275 -6.334 1.00 73.35 N ATOM 416 CA GLY A 25 32.410 -32.493 -7.114 1.00 72.35 C ATOM 417 C GLY A 25 33.531 -33.388 -6.624 1.00 73.33 C ATOM 418 O GLY A 25 34.687 -32.969 -6.560 1.00 34.12 O ATOM 0 H GLY A 25 31.564 -31.293 -5.619 1.00 73.35 H new ATOM 0 HA2 GLY A 25 31.468 -33.040 -7.073 1.00 72.35 H new ATOM 0 HA3 GLY A 25 32.585 -32.236 -8.159 1.00 72.35 H new ATOM 422 N PHE A 26 33.189 -34.624 -6.276 1.00 64.51 N ATOM 423 CA PHE A 26 34.176 -35.581 -5.786 1.00 55.44 C ATOM 424 C PHE A 26 34.265 -36.791 -6.711 1.00 21.32 C ATOM 425 O PHE A 26 33.273 -37.478 -6.950 1.00 14.23 O ATOM 426 CB PHE A 26 33.819 -36.033 -4.369 1.00 13.42 C ATOM 427 CG PHE A 26 34.277 -35.079 -3.302 1.00 53.05 C ATOM 428 CD1 PHE A 26 35.092 -35.513 -2.270 1.00 32.33 C ATOM 429 CD2 PHE A 26 33.892 -33.748 -3.333 1.00 33.32 C ATOM 430 CE1 PHE A 26 35.515 -34.638 -1.287 1.00 64.40 C ATOM 431 CE2 PHE A 26 34.312 -32.869 -2.353 1.00 44.33 C ATOM 432 CZ PHE A 26 35.124 -33.315 -1.328 1.00 42.55 C ATOM 0 H PHE A 26 32.237 -34.987 -6.324 1.00 64.51 H new ATOM 0 HA PHE A 26 35.147 -35.087 -5.768 1.00 55.44 H new ATOM 0 HB2 PHE A 26 32.738 -36.155 -4.297 1.00 13.42 H new ATOM 0 HB3 PHE A 26 34.263 -37.011 -4.186 1.00 13.42 H new ATOM 0 HD1 PHE A 26 35.401 -36.547 -2.233 1.00 32.33 H new ATOM 0 HD2 PHE A 26 33.257 -33.394 -4.132 1.00 33.32 H new ATOM 0 HE1 PHE A 26 36.151 -34.989 -0.488 1.00 64.40 H new ATOM 0 HE2 PHE A 26 34.006 -31.834 -2.388 1.00 44.33 H new ATOM 0 HZ PHE A 26 35.452 -32.630 -0.560 1.00 42.55 H new ATOM 442 N ASN A 27 35.463 -37.046 -7.228 1.00 55.13 N ATOM 443 CA ASN A 27 35.683 -38.173 -8.128 1.00 14.43 C ATOM 444 C ASN A 27 36.779 -39.089 -7.593 1.00 72.32 C ATOM 445 O ASN A 27 37.534 -39.686 -8.361 1.00 51.54 O ATOM 446 CB ASN A 27 36.057 -37.672 -9.524 1.00 41.21 C ATOM 447 CG ASN A 27 35.731 -38.682 -10.607 1.00 54.44 C ATOM 448 OD1 ASN A 27 35.723 -39.888 -10.365 1.00 22.54 O ATOM 449 ND2 ASN A 27 35.459 -38.191 -11.811 1.00 52.20 N ATOM 0 H ASN A 27 36.296 -36.488 -7.039 1.00 55.13 H new ATOM 0 HA ASN A 27 34.756 -38.743 -8.191 1.00 14.43 H new ATOM 0 HB2 ASN A 27 35.527 -36.742 -9.727 1.00 41.21 H new ATOM 0 HB3 ASN A 27 37.123 -37.444 -9.552 1.00 41.21 H new ATOM 0 HD21 ASN A 27 35.232 -38.822 -12.580 1.00 52.20 H new ATOM 0 HD22 ASN A 27 35.477 -37.183 -11.967 1.00 52.20 H new ATOM 456 N PHE A 28 36.860 -39.197 -6.271 1.00 75.41 N ATOM 457 CA PHE A 28 37.863 -40.041 -5.633 1.00 23.01 C ATOM 458 C PHE A 28 37.520 -41.518 -5.802 1.00 74.12 C ATOM 459 O PHE A 28 38.402 -42.377 -5.794 1.00 14.42 O ATOM 460 CB PHE A 28 37.977 -39.699 -4.146 1.00 34.32 C ATOM 461 CG PHE A 28 38.758 -38.445 -3.877 1.00 31.02 C ATOM 462 CD1 PHE A 28 40.054 -38.306 -4.347 1.00 55.34 C ATOM 463 CD2 PHE A 28 38.197 -37.405 -3.153 1.00 34.53 C ATOM 464 CE1 PHE A 28 40.775 -37.153 -4.102 1.00 1.40 C ATOM 465 CE2 PHE A 28 38.913 -36.250 -2.905 1.00 1.04 C ATOM 466 CZ PHE A 28 40.204 -36.124 -3.379 1.00 3.14 C ATOM 0 H PHE A 28 36.243 -38.710 -5.621 1.00 75.41 H new ATOM 0 HA PHE A 28 38.821 -39.852 -6.117 1.00 23.01 H new ATOM 0 HB2 PHE A 28 36.976 -39.590 -3.729 1.00 34.32 H new ATOM 0 HB3 PHE A 28 38.451 -40.531 -3.625 1.00 34.32 H new ATOM 0 HD1 PHE A 28 40.506 -39.108 -4.911 1.00 55.34 H new ATOM 0 HD2 PHE A 28 37.188 -37.499 -2.778 1.00 34.53 H new ATOM 0 HE1 PHE A 28 41.784 -37.057 -4.475 1.00 1.40 H new ATOM 0 HE2 PHE A 28 38.464 -35.446 -2.341 1.00 1.04 H new ATOM 0 HZ PHE A 28 40.766 -35.222 -3.185 1.00 3.14 H new ATOM 476 N SER A 29 36.231 -41.806 -5.955 1.00 51.21 N ATOM 477 CA SER A 29 35.769 -43.179 -6.122 1.00 11.21 C ATOM 478 C SER A 29 36.521 -43.871 -7.255 1.00 33.23 C ATOM 479 O SER A 29 36.831 -45.059 -7.172 1.00 71.20 O ATOM 480 CB SER A 29 34.265 -43.203 -6.403 1.00 43.31 C ATOM 481 OG SER A 29 33.885 -42.122 -7.237 1.00 1.43 O ATOM 0 H SER A 29 35.488 -41.107 -5.967 1.00 51.21 H new ATOM 0 HA SER A 29 35.967 -43.718 -5.196 1.00 11.21 H new ATOM 0 HB2 SER A 29 33.996 -44.146 -6.879 1.00 43.31 H new ATOM 0 HB3 SER A 29 33.715 -43.152 -5.463 1.00 43.31 H new ATOM 0 HG SER A 29 32.920 -42.161 -7.403 1.00 1.43 H new ATOM 487 N GLN A 30 36.810 -43.119 -8.311 1.00 54.44 N ATOM 488 CA GLN A 30 37.524 -43.660 -9.462 1.00 2.45 C ATOM 489 C GLN A 30 38.835 -44.309 -9.031 1.00 62.45 C ATOM 490 O GLN A 30 39.221 -45.356 -9.553 1.00 52.25 O ATOM 491 CB GLN A 30 37.800 -42.555 -10.483 1.00 53.12 C ATOM 492 CG GLN A 30 38.108 -43.078 -11.877 1.00 31.22 C ATOM 493 CD GLN A 30 36.868 -43.552 -12.610 1.00 2.43 C ATOM 494 OE1 GLN A 30 35.761 -43.506 -12.073 1.00 74.45 O ATOM 495 NE2 GLN A 30 37.048 -44.009 -13.843 1.00 70.42 N ATOM 0 H GLN A 30 36.561 -42.133 -8.394 1.00 54.44 H new ATOM 0 HA GLN A 30 36.896 -44.422 -9.923 1.00 2.45 H new ATOM 0 HB2 GLN A 30 36.934 -41.895 -10.535 1.00 53.12 H new ATOM 0 HB3 GLN A 30 38.640 -41.953 -10.136 1.00 53.12 H new ATOM 0 HG2 GLN A 30 38.590 -42.292 -12.458 1.00 31.22 H new ATOM 0 HG3 GLN A 30 38.819 -43.901 -11.803 1.00 31.22 H new ATOM 0 HE21 GLN A 30 37.984 -44.029 -14.248 1.00 70.42 H new ATOM 0 HE22 GLN A 30 36.250 -44.341 -14.386 1.00 70.42 H new ATOM 504 N ILE A 31 39.516 -43.682 -8.078 1.00 35.42 N ATOM 505 CA ILE A 31 40.783 -44.200 -7.578 1.00 32.53 C ATOM 506 C ILE A 31 40.589 -44.959 -6.269 1.00 54.10 C ATOM 507 O ILE A 31 41.516 -45.086 -5.469 1.00 3.13 O ATOM 508 CB ILE A 31 41.805 -43.070 -7.356 1.00 20.00 C ATOM 509 CG1 ILE A 31 41.710 -42.039 -8.482 1.00 54.40 C ATOM 510 CG2 ILE A 31 43.213 -43.639 -7.269 1.00 44.13 C ATOM 511 CD1 ILE A 31 41.931 -42.625 -9.859 1.00 2.22 C ATOM 0 H ILE A 31 39.211 -42.814 -7.637 1.00 35.42 H new ATOM 0 HA ILE A 31 41.166 -44.882 -8.337 1.00 32.53 H new ATOM 0 HB ILE A 31 41.576 -42.573 -6.413 1.00 20.00 H new ATOM 0 HG12 ILE A 31 40.728 -41.568 -8.450 1.00 54.40 H new ATOM 0 HG13 ILE A 31 42.446 -41.254 -8.308 1.00 54.40 H new ATOM 0 HG21 ILE A 31 43.924 -42.828 -7.112 1.00 44.13 H new ATOM 0 HG22 ILE A 31 43.272 -44.339 -6.436 1.00 44.13 H new ATOM 0 HG23 ILE A 31 43.454 -44.158 -8.197 1.00 44.13 H new ATOM 0 HD11 ILE A 31 41.849 -41.837 -10.607 1.00 2.22 H new ATOM 0 HD12 ILE A 31 42.924 -43.071 -9.909 1.00 2.22 H new ATOM 0 HD13 ILE A 31 41.179 -43.390 -10.054 1.00 2.22 H new ATOM 523 N LEU A 32 39.378 -45.463 -6.058 1.00 12.10 N ATOM 524 CA LEU A 32 39.061 -46.212 -4.847 1.00 2.44 C ATOM 525 C LEU A 32 38.286 -47.483 -5.179 1.00 1.50 C ATOM 526 O LEU A 32 37.090 -47.597 -4.911 1.00 71.42 O ATOM 527 CB LEU A 32 38.250 -45.343 -3.884 1.00 11.21 C ATOM 528 CG LEU A 32 38.324 -45.729 -2.406 1.00 72.43 C ATOM 529 CD1 LEU A 32 38.065 -44.518 -1.524 1.00 43.11 C ATOM 530 CD2 LEU A 32 37.331 -46.840 -2.095 1.00 53.32 C ATOM 0 H LEU A 32 38.599 -45.367 -6.710 1.00 12.10 H new ATOM 0 HA LEU A 32 39.999 -46.495 -4.369 1.00 2.44 H new ATOM 0 HB2 LEU A 32 38.586 -44.311 -3.987 1.00 11.21 H new ATOM 0 HB3 LEU A 32 37.205 -45.370 -4.194 1.00 11.21 H new ATOM 0 HG LEU A 32 39.328 -46.097 -2.196 1.00 72.43 H new ATOM 0 HD11 LEU A 32 38.122 -44.812 -0.476 1.00 43.11 H new ATOM 0 HD12 LEU A 32 38.814 -43.753 -1.727 1.00 43.11 H new ATOM 0 HD13 LEU A 32 37.073 -44.119 -1.736 1.00 43.11 H new ATOM 0 HD21 LEU A 32 37.397 -47.102 -1.039 1.00 53.32 H new ATOM 0 HD22 LEU A 32 36.321 -46.499 -2.322 1.00 53.32 H new ATOM 0 HD23 LEU A 32 37.563 -47.716 -2.701 1.00 53.32 H new ATOM 542 N PRO A 33 38.982 -48.462 -5.775 1.00 4.12 N ATOM 543 CA PRO A 33 38.380 -49.744 -6.154 1.00 2.41 C ATOM 544 C PRO A 33 38.026 -50.599 -4.942 1.00 42.21 C ATOM 545 O PRO A 33 38.312 -50.228 -3.804 1.00 1.33 O ATOM 546 CB PRO A 33 39.476 -50.419 -6.983 1.00 55.42 C ATOM 547 CG PRO A 33 40.746 -49.811 -6.498 1.00 64.04 C ATOM 548 CD PRO A 33 40.411 -48.394 -6.124 1.00 4.23 C ATOM 0 HA PRO A 33 37.441 -49.610 -6.691 1.00 2.41 H new ATOM 0 HB2 PRO A 33 39.474 -51.499 -6.838 1.00 55.42 H new ATOM 0 HB3 PRO A 33 39.333 -50.240 -8.049 1.00 55.42 H new ATOM 0 HG2 PRO A 33 41.138 -50.358 -5.641 1.00 64.04 H new ATOM 0 HG3 PRO A 33 41.513 -49.839 -7.272 1.00 64.04 H new ATOM 0 HD2 PRO A 33 41.014 -48.047 -5.285 1.00 4.23 H new ATOM 0 HD3 PRO A 33 40.590 -47.707 -6.951 1.00 4.23 H new ATOM 556 N SER A 34 37.403 -51.745 -5.194 1.00 70.44 N ATOM 557 CA SER A 34 37.007 -52.652 -4.123 1.00 40.01 C ATOM 558 C SER A 34 36.876 -54.081 -4.641 1.00 50.15 C ATOM 559 O SER A 34 35.782 -54.638 -4.731 1.00 32.32 O ATOM 560 CB SER A 34 35.683 -52.198 -3.505 1.00 70.15 C ATOM 561 OG SER A 34 35.479 -52.799 -2.239 1.00 34.24 O ATOM 0 H SER A 34 37.161 -52.068 -6.131 1.00 70.44 H new ATOM 0 HA SER A 34 37.783 -52.631 -3.358 1.00 40.01 H new ATOM 0 HB2 SER A 34 35.680 -51.113 -3.401 1.00 70.15 H new ATOM 0 HB3 SER A 34 34.860 -52.457 -4.171 1.00 70.15 H new ATOM 0 HG SER A 34 34.627 -52.492 -1.864 1.00 34.24 H new ATOM 567 N PRO A 35 38.019 -54.689 -4.992 1.00 32.41 N ATOM 568 CA PRO A 35 38.060 -56.061 -5.507 1.00 34.20 C ATOM 569 C PRO A 35 37.724 -57.093 -4.435 1.00 43.04 C ATOM 570 O PRO A 35 38.599 -57.536 -3.690 1.00 63.34 O ATOM 571 CB PRO A 35 39.509 -56.223 -5.970 1.00 65.22 C ATOM 572 CG PRO A 35 40.281 -55.250 -5.148 1.00 10.42 C ATOM 573 CD PRO A 35 39.359 -54.085 -4.912 1.00 23.23 C ATOM 0 HA PRO A 35 37.326 -56.222 -6.296 1.00 34.20 H new ATOM 0 HB2 PRO A 35 39.863 -57.242 -5.813 1.00 65.22 H new ATOM 0 HB3 PRO A 35 39.611 -56.010 -7.034 1.00 65.22 H new ATOM 0 HG2 PRO A 35 40.594 -55.698 -4.205 1.00 10.42 H new ATOM 0 HG3 PRO A 35 41.186 -54.933 -5.666 1.00 10.42 H new ATOM 0 HD2 PRO A 35 39.535 -53.624 -3.940 1.00 23.23 H new ATOM 0 HD3 PRO A 35 39.494 -53.307 -5.663 1.00 23.23 H new ATOM 581 N LEU A 36 36.453 -57.472 -4.363 1.00 61.00 N ATOM 582 CA LEU A 36 36.002 -58.453 -3.382 1.00 60.11 C ATOM 583 C LEU A 36 35.294 -59.619 -4.064 1.00 73.12 C ATOM 584 O LEU A 36 34.133 -59.510 -4.459 1.00 14.51 O ATOM 585 CB LEU A 36 35.065 -57.795 -2.368 1.00 30.44 C ATOM 586 CG LEU A 36 34.822 -58.575 -1.075 1.00 10.23 C ATOM 587 CD1 LEU A 36 36.036 -58.487 -0.162 1.00 74.35 C ATOM 588 CD2 LEU A 36 33.580 -58.056 -0.365 1.00 2.15 C ATOM 0 H LEU A 36 35.717 -57.115 -4.972 1.00 61.00 H new ATOM 0 HA LEU A 36 36.878 -58.839 -2.861 1.00 60.11 H new ATOM 0 HB2 LEU A 36 35.472 -56.818 -2.108 1.00 30.44 H new ATOM 0 HB3 LEU A 36 34.103 -57.622 -2.851 1.00 30.44 H new ATOM 0 HG LEU A 36 34.660 -59.622 -1.330 1.00 10.23 H new ATOM 0 HD11 LEU A 36 35.845 -59.048 0.753 1.00 74.35 H new ATOM 0 HD12 LEU A 36 36.904 -58.907 -0.670 1.00 74.35 H new ATOM 0 HD13 LEU A 36 36.230 -57.443 0.086 1.00 74.35 H new ATOM 0 HD21 LEU A 36 33.422 -58.622 0.553 1.00 2.15 H new ATOM 0 HD22 LEU A 36 33.713 -57.002 -0.123 1.00 2.15 H new ATOM 0 HD23 LEU A 36 32.714 -58.172 -1.016 1.00 2.15 H new ATOM 600 N LYS A 37 36.000 -60.737 -4.198 1.00 54.21 N ATOM 601 CA LYS A 37 35.439 -61.926 -4.829 1.00 53.40 C ATOM 602 C LYS A 37 35.866 -63.188 -4.087 1.00 73.10 C ATOM 603 O LYS A 37 36.635 -64.005 -4.594 1.00 52.10 O ATOM 604 CB LYS A 37 35.879 -62.008 -6.292 1.00 44.33 C ATOM 605 CG LYS A 37 35.337 -60.882 -7.155 1.00 54.40 C ATOM 606 CD LYS A 37 35.924 -60.919 -8.556 1.00 20.52 C ATOM 607 CE LYS A 37 37.204 -60.103 -8.646 1.00 23.14 C ATOM 608 NZ LYS A 37 36.930 -58.674 -8.961 1.00 12.11 N ATOM 0 H LYS A 37 36.962 -60.844 -3.878 1.00 54.21 H new ATOM 0 HA LYS A 37 34.352 -61.851 -4.787 1.00 53.40 H new ATOM 0 HB2 LYS A 37 36.968 -61.996 -6.336 1.00 44.33 H new ATOM 0 HB3 LYS A 37 35.553 -62.962 -6.707 1.00 44.33 H new ATOM 0 HG2 LYS A 37 34.251 -60.957 -7.213 1.00 54.40 H new ATOM 0 HG3 LYS A 37 35.566 -59.923 -6.689 1.00 54.40 H new ATOM 0 HD2 LYS A 37 36.129 -61.952 -8.838 1.00 20.52 H new ATOM 0 HD3 LYS A 37 35.194 -60.533 -9.268 1.00 20.52 H new ATOM 0 HE2 LYS A 37 37.744 -60.170 -7.702 1.00 23.14 H new ATOM 0 HE3 LYS A 37 37.851 -60.526 -9.414 1.00 23.14 H new ATOM 0 HZ1 LYS A 37 37.828 -58.152 -9.014 1.00 12.11 H new ATOM 0 HZ2 LYS A 37 36.437 -58.608 -9.874 1.00 12.11 H new ATOM 0 HZ3 LYS A 37 36.333 -58.262 -8.215 1.00 12.11 H new ATOM 622 N PRO A 38 35.355 -63.354 -2.858 1.00 21.41 N ATOM 623 CA PRO A 38 35.668 -64.517 -2.021 1.00 44.42 C ATOM 624 C PRO A 38 35.049 -65.802 -2.559 1.00 11.01 C ATOM 625 O PRO A 38 34.499 -65.825 -3.661 1.00 32.45 O ATOM 626 CB PRO A 38 35.055 -64.154 -0.666 1.00 44.33 C ATOM 627 CG PRO A 38 33.962 -63.194 -0.990 1.00 24.53 C ATOM 628 CD PRO A 38 34.432 -62.421 -2.191 1.00 21.04 C ATOM 0 HA PRO A 38 36.739 -64.714 -1.981 1.00 44.42 H new ATOM 0 HB2 PRO A 38 34.668 -65.037 -0.157 1.00 44.33 H new ATOM 0 HB3 PRO A 38 35.795 -63.703 -0.005 1.00 44.33 H new ATOM 0 HG2 PRO A 38 33.032 -63.720 -1.204 1.00 24.53 H new ATOM 0 HG3 PRO A 38 33.766 -62.528 -0.150 1.00 24.53 H new ATOM 0 HD2 PRO A 38 33.602 -62.144 -2.841 1.00 21.04 H new ATOM 0 HD3 PRO A 38 34.933 -61.497 -1.903 1.00 21.04 H new ATOM 636 N THR A 39 35.141 -66.871 -1.774 1.00 61.44 N ATOM 637 CA THR A 39 34.590 -68.161 -2.172 1.00 44.22 C ATOM 638 C THR A 39 33.111 -68.259 -1.819 1.00 32.31 C ATOM 639 O THR A 39 32.360 -69.007 -2.446 1.00 63.11 O ATOM 640 CB THR A 39 35.345 -69.325 -1.502 1.00 41.44 C ATOM 641 OG1 THR A 39 36.756 -69.084 -1.547 1.00 11.22 O ATOM 642 CG2 THR A 39 35.029 -70.643 -2.192 1.00 75.01 C ATOM 0 H THR A 39 35.592 -66.869 -0.859 1.00 61.44 H new ATOM 0 HA THR A 39 34.708 -68.236 -3.253 1.00 44.22 H new ATOM 0 HB THR A 39 35.021 -69.390 -0.463 1.00 41.44 H new ATOM 0 HG1 THR A 39 37.229 -69.827 -1.118 1.00 11.22 H new ATOM 0 HG21 THR A 39 35.573 -71.450 -1.702 1.00 75.01 H new ATOM 0 HG22 THR A 39 33.958 -70.838 -2.131 1.00 75.01 H new ATOM 0 HG23 THR A 39 35.329 -70.587 -3.239 1.00 75.01 H new ATOM 650 N LYS A 40 32.696 -67.499 -0.811 1.00 22.41 N ATOM 651 CA LYS A 40 31.305 -67.499 -0.374 1.00 51.24 C ATOM 652 C LYS A 40 30.378 -67.084 -1.513 1.00 32.55 C ATOM 653 O LYS A 40 29.213 -67.481 -1.552 1.00 70.03 O ATOM 654 CB LYS A 40 31.123 -66.554 0.816 1.00 73.23 C ATOM 655 CG LYS A 40 29.678 -66.410 1.262 1.00 40.41 C ATOM 656 CD LYS A 40 29.584 -66.012 2.725 1.00 35.14 C ATOM 657 CE LYS A 40 28.290 -66.507 3.355 1.00 25.00 C ATOM 658 NZ LYS A 40 28.304 -66.362 4.837 1.00 1.00 N ATOM 0 H LYS A 40 33.304 -66.875 -0.281 1.00 22.41 H new ATOM 0 HA LYS A 40 31.046 -68.512 -0.068 1.00 51.24 H new ATOM 0 HB2 LYS A 40 31.718 -66.918 1.653 1.00 73.23 H new ATOM 0 HB3 LYS A 40 31.513 -65.571 0.552 1.00 73.23 H new ATOM 0 HG2 LYS A 40 29.179 -65.661 0.647 1.00 40.41 H new ATOM 0 HG3 LYS A 40 29.152 -67.352 1.106 1.00 40.41 H new ATOM 0 HD2 LYS A 40 30.435 -66.421 3.270 1.00 35.14 H new ATOM 0 HD3 LYS A 40 29.641 -64.927 2.813 1.00 35.14 H new ATOM 0 HE2 LYS A 40 27.449 -65.949 2.943 1.00 25.00 H new ATOM 0 HE3 LYS A 40 28.136 -67.554 3.094 1.00 25.00 H new ATOM 0 HZ1 LYS A 40 27.405 -66.710 5.228 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 29.091 -66.915 5.232 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 28.425 -65.360 5.087 1.00 1.00 H new ATOM 672 N ARG A 41 30.903 -66.286 -2.436 1.00 74.14 N ATOM 673 CA ARG A 41 30.122 -65.819 -3.575 1.00 55.23 C ATOM 674 C ARG A 41 30.446 -66.630 -4.826 1.00 54.04 C ATOM 675 O ARG A 41 29.993 -66.304 -5.924 1.00 21.41 O ATOM 676 CB ARG A 41 30.392 -64.335 -3.832 1.00 62.21 C ATOM 677 CG ARG A 41 29.225 -63.606 -4.478 1.00 23.12 C ATOM 678 CD ARG A 41 29.603 -62.185 -4.867 1.00 72.42 C ATOM 679 NE ARG A 41 30.213 -62.125 -6.192 1.00 64.15 N ATOM 680 CZ ARG A 41 30.524 -60.989 -6.808 1.00 33.43 C ATOM 681 NH1 ARG A 41 30.282 -59.826 -6.220 1.00 1.31 N ATOM 682 NH2 ARG A 41 31.077 -61.016 -8.013 1.00 63.23 N ATOM 0 H ARG A 41 31.866 -65.949 -2.418 1.00 74.14 H new ATOM 0 HA ARG A 41 29.066 -65.954 -3.339 1.00 55.23 H new ATOM 0 HB2 ARG A 41 30.634 -63.850 -2.887 1.00 62.21 H new ATOM 0 HB3 ARG A 41 31.269 -64.240 -4.473 1.00 62.21 H new ATOM 0 HG2 ARG A 41 28.898 -64.152 -5.363 1.00 23.12 H new ATOM 0 HG3 ARG A 41 28.382 -63.583 -3.788 1.00 23.12 H new ATOM 0 HD2 ARG A 41 28.714 -61.555 -4.848 1.00 72.42 H new ATOM 0 HD3 ARG A 41 30.296 -61.779 -4.130 1.00 72.42 H new ATOM 0 HE ARG A 41 30.411 -63.003 -6.671 1.00 64.15 H new ATOM 0 HH11 ARG A 41 29.856 -59.802 -5.293 1.00 1.31 H new ATOM 0 HH12 ARG A 41 30.521 -58.955 -6.694 1.00 1.31 H new ATOM 0 HH21 ARG A 41 31.264 -61.909 -8.468 1.00 63.23 H new ATOM 0 HH22 ARG A 41 31.315 -60.143 -8.485 1.00 63.23 H new ATOM 696 N SER A 42 31.232 -67.687 -4.653 1.00 24.24 N ATOM 697 CA SER A 42 31.621 -68.542 -5.768 1.00 32.51 C ATOM 698 C SER A 42 30.433 -69.362 -6.263 1.00 61.22 C ATOM 699 O SER A 42 30.386 -69.770 -7.424 1.00 41.51 O ATOM 700 CB SER A 42 32.760 -69.475 -5.351 1.00 11.33 C ATOM 701 OG SER A 42 33.360 -70.083 -6.481 1.00 25.54 O ATOM 0 H SER A 42 31.612 -67.972 -3.751 1.00 24.24 H new ATOM 0 HA SER A 42 31.964 -67.903 -6.581 1.00 32.51 H new ATOM 0 HB2 SER A 42 33.510 -68.912 -4.795 1.00 11.33 H new ATOM 0 HB3 SER A 42 32.377 -70.244 -4.680 1.00 11.33 H new ATOM 0 HG SER A 42 32.800 -70.826 -6.789 1.00 25.54 H new ATOM 707 N PHE A 43 29.475 -69.600 -5.374 1.00 32.41 N ATOM 708 CA PHE A 43 28.287 -70.372 -5.719 1.00 34.33 C ATOM 709 C PHE A 43 27.623 -69.817 -6.975 1.00 52.33 C ATOM 710 O PHE A 43 27.001 -70.555 -7.740 1.00 20.13 O ATOM 711 CB PHE A 43 27.292 -70.363 -4.556 1.00 73.53 C ATOM 712 CG PHE A 43 26.571 -69.056 -4.394 1.00 3.52 C ATOM 713 CD1 PHE A 43 25.244 -68.929 -4.771 1.00 20.04 C ATOM 714 CD2 PHE A 43 27.222 -67.952 -3.865 1.00 33.44 C ATOM 715 CE1 PHE A 43 24.578 -67.727 -4.622 1.00 40.11 C ATOM 716 CE2 PHE A 43 26.561 -66.748 -3.713 1.00 72.13 C ATOM 717 CZ PHE A 43 25.238 -66.635 -4.094 1.00 12.24 C ATOM 0 H PHE A 43 29.498 -69.270 -4.409 1.00 32.41 H new ATOM 0 HA PHE A 43 28.596 -71.398 -5.916 1.00 34.33 H new ATOM 0 HB2 PHE A 43 26.560 -71.156 -4.709 1.00 73.53 H new ATOM 0 HB3 PHE A 43 27.823 -70.593 -3.632 1.00 73.53 H new ATOM 0 HD1 PHE A 43 24.724 -69.779 -5.186 1.00 20.04 H new ATOM 0 HD2 PHE A 43 28.257 -68.034 -3.568 1.00 33.44 H new ATOM 0 HE1 PHE A 43 23.543 -67.642 -4.918 1.00 40.11 H new ATOM 0 HE2 PHE A 43 27.078 -65.896 -3.297 1.00 72.13 H new ATOM 0 HZ PHE A 43 24.721 -65.694 -3.979 1.00 12.24 H new ATOM 727 N ILE A 44 27.759 -68.511 -7.181 1.00 62.11 N ATOM 728 CA ILE A 44 27.174 -67.856 -8.344 1.00 73.44 C ATOM 729 C ILE A 44 27.569 -68.569 -9.633 1.00 74.32 C ATOM 730 O ILE A 44 26.818 -68.569 -10.608 1.00 62.44 O ATOM 731 CB ILE A 44 27.603 -66.380 -8.435 1.00 62.21 C ATOM 732 CG1 ILE A 44 26.824 -65.667 -9.542 1.00 14.45 C ATOM 733 CG2 ILE A 44 29.101 -66.279 -8.685 1.00 15.42 C ATOM 734 CD1 ILE A 44 25.341 -65.555 -9.261 1.00 24.12 C ATOM 0 H ILE A 44 28.269 -67.886 -6.557 1.00 62.11 H new ATOM 0 HA ILE A 44 26.092 -67.904 -8.222 1.00 73.44 H new ATOM 0 HB ILE A 44 27.378 -65.892 -7.487 1.00 62.21 H new ATOM 0 HG12 ILE A 44 27.236 -64.667 -9.679 1.00 14.45 H new ATOM 0 HG13 ILE A 44 26.968 -66.203 -10.480 1.00 14.45 H new ATOM 0 HG21 ILE A 44 29.390 -65.230 -8.747 1.00 15.42 H new ATOM 0 HG22 ILE A 44 29.640 -66.756 -7.866 1.00 15.42 H new ATOM 0 HG23 ILE A 44 29.348 -66.779 -9.621 1.00 15.42 H new ATOM 0 HD11 ILE A 44 24.852 -65.039 -10.087 1.00 24.12 H new ATOM 0 HD12 ILE A 44 24.915 -66.552 -9.153 1.00 24.12 H new ATOM 0 HD13 ILE A 44 25.187 -64.993 -8.340 1.00 24.12 H new ATOM 746 N GLU A 45 28.751 -69.177 -9.629 1.00 31.14 N ATOM 747 CA GLU A 45 29.245 -69.895 -10.798 1.00 13.11 C ATOM 748 C GLU A 45 28.231 -70.935 -11.266 1.00 53.21 C ATOM 749 O GLU A 45 28.144 -71.241 -12.455 1.00 73.04 O ATOM 750 CB GLU A 45 30.579 -70.574 -10.481 1.00 52.13 C ATOM 751 CG GLU A 45 30.442 -71.801 -9.596 1.00 3.03 C ATOM 752 CD GLU A 45 31.748 -72.187 -8.929 1.00 22.50 C ATOM 753 OE1 GLU A 45 31.711 -72.615 -7.756 1.00 70.22 O ATOM 754 OE2 GLU A 45 32.807 -72.062 -9.579 1.00 71.12 O ATOM 0 H GLU A 45 29.384 -69.187 -8.829 1.00 31.14 H new ATOM 0 HA GLU A 45 29.395 -69.172 -11.600 1.00 13.11 H new ATOM 0 HB2 GLU A 45 31.061 -70.862 -11.415 1.00 52.13 H new ATOM 0 HB3 GLU A 45 31.236 -69.855 -9.992 1.00 52.13 H new ATOM 0 HG2 GLU A 45 29.690 -71.610 -8.831 1.00 3.03 H new ATOM 0 HG3 GLU A 45 30.083 -72.638 -10.195 1.00 3.03 H new ATOM 761 N ASP A 46 27.467 -71.474 -10.323 1.00 30.25 N ATOM 762 CA ASP A 46 26.458 -72.480 -10.637 1.00 44.51 C ATOM 763 C ASP A 46 25.535 -71.993 -11.750 1.00 63.41 C ATOM 764 O ASP A 46 25.369 -72.664 -12.770 1.00 54.41 O ATOM 765 CB ASP A 46 25.640 -72.819 -9.391 1.00 31.15 C ATOM 766 CG ASP A 46 24.757 -74.035 -9.591 1.00 63.30 C ATOM 767 OD1 ASP A 46 23.540 -73.856 -9.806 1.00 70.53 O ATOM 768 OD2 ASP A 46 25.284 -75.166 -9.534 1.00 11.14 O ATOM 0 H ASP A 46 27.527 -71.231 -9.334 1.00 30.25 H new ATOM 0 HA ASP A 46 26.970 -73.379 -10.981 1.00 44.51 H new ATOM 0 HB2 ASP A 46 26.315 -72.998 -8.554 1.00 31.15 H new ATOM 0 HB3 ASP A 46 25.020 -71.963 -9.123 1.00 31.15 H new ATOM 773 N LEU A 47 24.937 -70.825 -11.547 1.00 51.11 N ATOM 774 CA LEU A 47 24.029 -70.249 -12.533 1.00 40.21 C ATOM 775 C LEU A 47 24.736 -70.042 -13.869 1.00 31.12 C ATOM 776 O LEU A 47 24.154 -70.262 -14.932 1.00 50.30 O ATOM 777 CB LEU A 47 23.472 -68.917 -12.026 1.00 65.21 C ATOM 778 CG LEU A 47 22.078 -68.539 -12.526 1.00 34.04 C ATOM 779 CD1 LEU A 47 22.073 -68.399 -14.040 1.00 12.51 C ATOM 780 CD2 LEU A 47 21.053 -69.573 -12.081 1.00 4.11 C ATOM 0 H LEU A 47 25.064 -70.258 -10.709 1.00 51.11 H new ATOM 0 HA LEU A 47 23.205 -70.947 -12.683 1.00 40.21 H new ATOM 0 HB2 LEU A 47 23.450 -68.946 -10.937 1.00 65.21 H new ATOM 0 HB3 LEU A 47 24.165 -68.125 -12.309 1.00 65.21 H new ATOM 0 HG LEU A 47 21.806 -67.577 -12.092 1.00 34.04 H new ATOM 0 HD11 LEU A 47 21.072 -68.130 -14.377 1.00 12.51 H new ATOM 0 HD12 LEU A 47 22.777 -67.621 -14.336 1.00 12.51 H new ATOM 0 HD13 LEU A 47 22.366 -69.346 -14.494 1.00 12.51 H new ATOM 0 HD21 LEU A 47 20.066 -69.288 -12.446 1.00 4.11 H new ATOM 0 HD22 LEU A 47 21.321 -70.549 -12.486 1.00 4.11 H new ATOM 0 HD23 LEU A 47 21.036 -69.624 -10.992 1.00 4.11 H new ATOM 792 N LEU A 48 25.994 -69.621 -13.807 1.00 42.52 N ATOM 793 CA LEU A 48 26.782 -69.386 -15.012 1.00 64.32 C ATOM 794 C LEU A 48 26.878 -70.654 -15.855 1.00 40.24 C ATOM 795 O LEU A 48 26.961 -70.591 -17.082 1.00 63.11 O ATOM 796 CB LEU A 48 28.184 -68.900 -14.642 1.00 5.44 C ATOM 797 CG LEU A 48 28.915 -68.083 -15.708 1.00 62.00 C ATOM 798 CD1 LEU A 48 28.283 -66.708 -15.854 1.00 15.10 C ATOM 799 CD2 LEU A 48 30.393 -67.959 -15.365 1.00 54.32 C ATOM 0 H LEU A 48 26.490 -69.435 -12.936 1.00 42.52 H new ATOM 0 HA LEU A 48 26.281 -68.617 -15.600 1.00 64.32 H new ATOM 0 HB2 LEU A 48 28.110 -68.296 -13.737 1.00 5.44 H new ATOM 0 HB3 LEU A 48 28.795 -69.769 -14.397 1.00 5.44 H new ATOM 0 HG LEU A 48 28.826 -68.604 -16.661 1.00 62.00 H new ATOM 0 HD11 LEU A 48 28.817 -66.141 -16.617 1.00 15.10 H new ATOM 0 HD12 LEU A 48 27.239 -66.817 -16.147 1.00 15.10 H new ATOM 0 HD13 LEU A 48 28.340 -66.179 -14.903 1.00 15.10 H new ATOM 0 HD21 LEU A 48 30.897 -67.375 -16.135 1.00 54.32 H new ATOM 0 HD22 LEU A 48 30.502 -67.461 -14.401 1.00 54.32 H new ATOM 0 HD23 LEU A 48 30.839 -68.952 -15.313 1.00 54.32 H new ATOM 811 N PHE A 49 26.863 -71.804 -15.189 1.00 44.34 N ATOM 812 CA PHE A 49 26.947 -73.087 -15.877 1.00 42.35 C ATOM 813 C PHE A 49 25.744 -73.292 -16.793 1.00 31.51 C ATOM 814 O PHE A 49 25.890 -73.689 -17.948 1.00 43.12 O ATOM 815 CB PHE A 49 27.032 -74.229 -14.863 1.00 13.11 C ATOM 816 CG PHE A 49 27.630 -75.487 -15.425 1.00 2.31 C ATOM 817 CD1 PHE A 49 26.840 -76.406 -16.095 1.00 71.33 C ATOM 818 CD2 PHE A 49 28.983 -75.750 -15.282 1.00 41.30 C ATOM 819 CE1 PHE A 49 27.387 -77.565 -16.614 1.00 45.40 C ATOM 820 CE2 PHE A 49 29.536 -76.906 -15.799 1.00 23.01 C ATOM 821 CZ PHE A 49 28.737 -77.815 -16.465 1.00 24.14 C ATOM 0 H PHE A 49 26.793 -71.874 -14.174 1.00 44.34 H new ATOM 0 HA PHE A 49 27.850 -73.086 -16.488 1.00 42.35 H new ATOM 0 HB2 PHE A 49 27.627 -73.903 -14.010 1.00 13.11 H new ATOM 0 HB3 PHE A 49 26.032 -74.447 -14.489 1.00 13.11 H new ATOM 0 HD1 PHE A 49 25.784 -76.215 -16.214 1.00 71.33 H new ATOM 0 HD2 PHE A 49 29.612 -75.044 -14.761 1.00 41.30 H new ATOM 0 HE1 PHE A 49 26.760 -78.273 -17.135 1.00 45.40 H new ATOM 0 HE2 PHE A 49 30.592 -77.099 -15.682 1.00 23.01 H new ATOM 0 HZ PHE A 49 29.167 -78.720 -16.868 1.00 24.14 H new ATOM 831 N ASN A 50 24.554 -73.020 -16.267 1.00 22.34 N ATOM 832 CA ASN A 50 23.325 -73.176 -17.035 1.00 74.52 C ATOM 833 C ASN A 50 23.357 -72.315 -18.294 1.00 71.31 C ATOM 834 O ASN A 50 22.741 -72.651 -19.306 1.00 31.11 O ATOM 835 CB ASN A 50 22.113 -72.803 -16.179 1.00 74.03 C ATOM 836 CG ASN A 50 21.891 -73.774 -15.036 1.00 30.22 C ATOM 837 OD1 ASN A 50 21.840 -73.378 -13.871 1.00 74.14 O ATOM 838 ND2 ASN A 50 21.759 -75.054 -15.364 1.00 73.12 N ATOM 0 H ASN A 50 24.415 -72.690 -15.312 1.00 22.34 H new ATOM 0 HA ASN A 50 23.243 -74.221 -17.333 1.00 74.52 H new ATOM 0 HB2 ASN A 50 22.250 -71.799 -15.778 1.00 74.03 H new ATOM 0 HB3 ASN A 50 21.223 -72.776 -16.807 1.00 74.03 H new ATOM 0 HD21 ASN A 50 21.609 -75.754 -14.637 1.00 73.12 H new ATOM 0 HD22 ASN A 50 21.808 -75.337 -16.343 1.00 73.12 H new ATOM 845 N LYS A 51 24.080 -71.203 -18.225 1.00 2.22 N ATOM 846 CA LYS A 51 24.196 -70.293 -19.358 1.00 51.13 C ATOM 847 C LYS A 51 24.716 -71.024 -20.592 1.00 3.12 C ATOM 848 O LYS A 51 24.446 -70.623 -21.724 1.00 13.42 O ATOM 849 CB LYS A 51 25.127 -69.129 -19.011 1.00 71.04 C ATOM 850 CG LYS A 51 24.819 -67.855 -19.778 1.00 44.35 C ATOM 851 CD LYS A 51 25.390 -66.632 -19.080 1.00 14.22 C ATOM 852 CE LYS A 51 24.362 -65.983 -18.164 1.00 65.34 C ATOM 853 NZ LYS A 51 24.606 -64.523 -18.004 1.00 41.10 N ATOM 0 H LYS A 51 24.595 -70.910 -17.395 1.00 2.22 H new ATOM 0 HA LYS A 51 23.203 -69.902 -19.581 1.00 51.13 H new ATOM 0 HB2 LYS A 51 25.058 -68.926 -17.942 1.00 71.04 H new ATOM 0 HB3 LYS A 51 26.156 -69.425 -19.213 1.00 71.04 H new ATOM 0 HG2 LYS A 51 25.232 -67.926 -20.784 1.00 44.35 H new ATOM 0 HG3 LYS A 51 23.740 -67.744 -19.883 1.00 44.35 H new ATOM 0 HD2 LYS A 51 26.267 -66.919 -18.499 1.00 14.22 H new ATOM 0 HD3 LYS A 51 25.724 -65.909 -19.825 1.00 14.22 H new ATOM 0 HE2 LYS A 51 23.363 -66.142 -18.569 1.00 65.34 H new ATOM 0 HE3 LYS A 51 24.390 -66.465 -17.187 1.00 65.34 H new ATOM 0 HZ1 LYS A 51 23.885 -64.118 -17.373 1.00 41.10 H new ATOM 0 HZ2 LYS A 51 25.550 -64.372 -17.594 1.00 41.10 H new ATOM 0 HZ3 LYS A 51 24.554 -64.058 -18.933 1.00 41.10 H new ATOM 867 N VAL A 52 25.464 -72.100 -20.365 1.00 54.44 N ATOM 868 CA VAL A 52 26.020 -72.888 -21.458 1.00 73.15 C ATOM 869 C VAL A 52 25.100 -74.048 -21.823 1.00 13.11 C ATOM 870 O VAL A 52 24.981 -74.418 -22.991 1.00 61.24 O ATOM 871 CB VAL A 52 27.410 -73.444 -21.099 1.00 4.12 C ATOM 872 CG1 VAL A 52 28.052 -74.102 -22.311 1.00 5.24 C ATOM 873 CG2 VAL A 52 28.299 -72.339 -20.548 1.00 42.12 C ATOM 0 H VAL A 52 25.698 -72.445 -19.434 1.00 54.44 H new ATOM 0 HA VAL A 52 26.114 -72.219 -22.314 1.00 73.15 H new ATOM 0 HB VAL A 52 27.290 -74.203 -20.325 1.00 4.12 H new ATOM 0 HG11 VAL A 52 29.034 -74.489 -22.038 1.00 5.24 H new ATOM 0 HG12 VAL A 52 27.422 -74.922 -22.656 1.00 5.24 H new ATOM 0 HG13 VAL A 52 28.161 -73.367 -23.109 1.00 5.24 H new ATOM 0 HG21 VAL A 52 29.278 -72.749 -20.299 1.00 42.12 H new ATOM 0 HG22 VAL A 52 28.414 -71.556 -21.298 1.00 42.12 H new ATOM 0 HG23 VAL A 52 27.843 -71.919 -19.651 1.00 42.12 H new ATOM 883 N THR A 53 24.448 -74.619 -20.814 1.00 42.13 N ATOM 884 CA THR A 53 23.539 -75.737 -21.028 1.00 33.54 C ATOM 885 C THR A 53 22.396 -75.347 -21.959 1.00 24.53 C ATOM 886 O THR A 53 21.991 -76.128 -22.822 1.00 2.54 O ATOM 887 CB THR A 53 22.951 -76.245 -19.697 1.00 60.24 C ATOM 888 OG1 THR A 53 22.111 -75.241 -19.118 1.00 55.01 O ATOM 889 CG2 THR A 53 24.059 -76.612 -18.721 1.00 53.43 C ATOM 0 H THR A 53 24.533 -74.325 -19.841 1.00 42.13 H new ATOM 0 HA THR A 53 24.122 -76.535 -21.488 1.00 33.54 H new ATOM 0 HB THR A 53 22.360 -77.137 -19.903 1.00 60.24 H new ATOM 0 HG1 THR A 53 22.445 -74.353 -19.365 1.00 55.01 H new ATOM 0 HG21 THR A 53 23.620 -76.968 -17.789 1.00 53.43 H new ATOM 0 HG22 THR A 53 24.679 -77.397 -19.153 1.00 53.43 H new ATOM 0 HG23 THR A 53 24.673 -75.734 -18.521 1.00 53.43 H new ATOM 897 N LEU A 54 21.881 -74.136 -21.780 1.00 31.33 N ATOM 898 CA LEU A 54 20.784 -73.642 -22.605 1.00 44.12 C ATOM 899 C LEU A 54 21.138 -73.725 -24.087 1.00 11.23 C ATOM 900 O LEU A 54 20.258 -73.839 -24.939 1.00 61.04 O ATOM 901 CB LEU A 54 20.448 -72.198 -22.230 1.00 2.44 C ATOM 902 CG LEU A 54 21.375 -71.123 -22.799 1.00 2.14 C ATOM 903 CD1 LEU A 54 20.812 -70.565 -24.096 1.00 41.14 C ATOM 904 CD2 LEU A 54 21.586 -70.009 -21.784 1.00 11.41 C ATOM 0 H LEU A 54 22.205 -73.478 -21.071 1.00 31.33 H new ATOM 0 HA LEU A 54 19.912 -74.271 -22.422 1.00 44.12 H new ATOM 0 HB2 LEU A 54 19.432 -71.985 -22.561 1.00 2.44 H new ATOM 0 HB3 LEU A 54 20.453 -72.116 -21.143 1.00 2.44 H new ATOM 0 HG LEU A 54 22.341 -71.580 -23.013 1.00 2.14 H new ATOM 0 HD11 LEU A 54 21.485 -69.801 -24.486 1.00 41.14 H new ATOM 0 HD12 LEU A 54 20.713 -71.369 -24.825 1.00 41.14 H new ATOM 0 HD13 LEU A 54 19.833 -70.124 -23.908 1.00 41.14 H new ATOM 0 HD21 LEU A 54 22.248 -69.253 -22.206 1.00 11.41 H new ATOM 0 HD22 LEU A 54 20.626 -69.554 -21.538 1.00 11.41 H new ATOM 0 HD23 LEU A 54 22.035 -70.421 -20.880 1.00 11.41 H new ATOM 916 N ALA A 55 22.432 -73.669 -24.385 1.00 52.41 N ATOM 917 CA ALA A 55 22.902 -73.742 -25.763 1.00 11.22 C ATOM 918 C ALA A 55 22.385 -74.999 -26.453 1.00 62.42 C ATOM 919 O ALA A 55 22.228 -75.029 -27.674 1.00 11.21 O ATOM 920 CB ALA A 55 24.422 -73.701 -25.805 1.00 23.35 C ATOM 0 H ALA A 55 23.173 -73.573 -23.691 1.00 52.41 H new ATOM 0 HA ALA A 55 22.512 -72.878 -26.300 1.00 11.22 H new ATOM 0 HB1 ALA A 55 24.759 -73.756 -26.840 1.00 23.35 H new ATOM 0 HB2 ALA A 55 24.773 -72.771 -25.358 1.00 23.35 H new ATOM 0 HB3 ALA A 55 24.824 -74.546 -25.247 1.00 23.35 H new ATOM 926 N ASP A 56 22.124 -76.036 -25.665 1.00 34.20 N ATOM 927 CA ASP A 56 21.624 -77.297 -26.201 1.00 20.23 C ATOM 928 C ASP A 56 20.378 -77.071 -27.052 1.00 3.53 C ATOM 929 O ASP A 56 20.103 -77.829 -27.981 1.00 0.11 O ATOM 930 CB ASP A 56 21.310 -78.270 -25.063 1.00 72.34 C ATOM 931 CG ASP A 56 19.985 -77.967 -24.391 1.00 42.12 C ATOM 932 OD1 ASP A 56 19.195 -78.911 -24.184 1.00 33.54 O ATOM 933 OD2 ASP A 56 19.739 -76.785 -24.072 1.00 23.20 O ATOM 0 H ASP A 56 22.250 -76.029 -24.653 1.00 34.20 H new ATOM 0 HA ASP A 56 22.400 -77.727 -26.834 1.00 20.23 H new ATOM 0 HB2 ASP A 56 21.292 -79.287 -25.454 1.00 72.34 H new ATOM 0 HB3 ASP A 56 22.108 -78.227 -24.322 1.00 72.34 H new ATOM 938 N ALA A 57 19.628 -76.023 -26.727 1.00 4.45 N ATOM 939 CA ALA A 57 18.413 -75.696 -27.461 1.00 52.34 C ATOM 940 C ALA A 57 18.694 -75.559 -28.954 1.00 14.31 C ATOM 941 O ALA A 57 17.838 -75.856 -29.786 1.00 70.23 O ATOM 942 CB ALA A 57 17.796 -74.415 -26.919 1.00 2.04 C ATOM 0 H ALA A 57 19.841 -75.386 -25.960 1.00 4.45 H new ATOM 0 HA ALA A 57 17.705 -76.513 -27.324 1.00 52.34 H new ATOM 0 HB1 ALA A 57 16.889 -74.183 -27.477 1.00 2.04 H new ATOM 0 HB2 ALA A 57 17.550 -74.547 -25.865 1.00 2.04 H new ATOM 0 HB3 ALA A 57 18.507 -73.595 -27.025 1.00 2.04 H new ATOM 948 N GLY A 58 19.899 -75.105 -29.286 1.00 32.43 N ATOM 949 CA GLY A 58 20.270 -74.936 -30.678 1.00 61.14 C ATOM 950 C GLY A 58 20.142 -76.221 -31.473 1.00 15.51 C ATOM 951 O GLY A 58 19.987 -76.191 -32.694 1.00 53.10 O ATOM 0 H GLY A 58 20.624 -74.851 -28.615 1.00 32.43 H new ATOM 0 HA2 GLY A 58 19.639 -74.170 -31.128 1.00 61.14 H new ATOM 0 HA3 GLY A 58 21.298 -74.578 -30.736 1.00 61.14 H new ATOM 955 N PHE A 59 20.207 -77.352 -30.780 1.00 23.43 N ATOM 956 CA PHE A 59 20.100 -78.654 -31.429 1.00 11.22 C ATOM 957 C PHE A 59 18.716 -78.842 -32.044 1.00 22.22 C ATOM 958 O PHE A 59 18.579 -79.414 -33.125 1.00 14.11 O ATOM 959 CB PHE A 59 20.381 -79.773 -30.424 1.00 74.22 C ATOM 960 CG PHE A 59 20.165 -81.150 -30.985 1.00 0.22 C ATOM 961 CD1 PHE A 59 21.200 -81.829 -31.606 1.00 64.22 C ATOM 962 CD2 PHE A 59 18.927 -81.764 -30.891 1.00 34.20 C ATOM 963 CE1 PHE A 59 21.005 -83.096 -32.123 1.00 25.31 C ATOM 964 CE2 PHE A 59 18.726 -83.031 -31.405 1.00 71.24 C ATOM 965 CZ PHE A 59 19.766 -83.698 -32.023 1.00 42.42 C ATOM 0 H PHE A 59 20.333 -77.394 -29.769 1.00 23.43 H new ATOM 0 HA PHE A 59 20.842 -78.697 -32.227 1.00 11.22 H new ATOM 0 HB2 PHE A 59 21.411 -79.688 -30.076 1.00 74.22 H new ATOM 0 HB3 PHE A 59 19.739 -79.639 -29.554 1.00 74.22 H new ATOM 0 HD1 PHE A 59 22.171 -81.363 -31.687 1.00 64.22 H new ATOM 0 HD2 PHE A 59 18.110 -81.247 -30.411 1.00 34.20 H new ATOM 0 HE1 PHE A 59 21.821 -83.615 -32.605 1.00 25.31 H new ATOM 0 HE2 PHE A 59 17.756 -83.499 -31.324 1.00 71.24 H new ATOM 0 HZ PHE A 59 19.611 -84.688 -32.427 1.00 42.42 H new ATOM 975 N MET A 60 17.694 -78.358 -31.346 1.00 42.41 N ATOM 976 CA MET A 60 16.321 -78.472 -31.823 1.00 51.14 C ATOM 977 C MET A 60 16.170 -77.836 -33.202 1.00 33.13 C ATOM 978 O MET A 60 15.435 -78.339 -34.052 1.00 34.04 O ATOM 979 CB MET A 60 15.358 -77.810 -30.835 1.00 62.43 C ATOM 980 CG MET A 60 13.901 -78.170 -31.074 1.00 13.12 C ATOM 981 SD MET A 60 13.086 -77.043 -32.222 1.00 64.43 S ATOM 982 CE MET A 60 11.773 -76.397 -31.189 1.00 64.43 C ATOM 0 H MET A 60 17.791 -77.883 -30.448 1.00 42.41 H new ATOM 0 HA MET A 60 16.077 -79.531 -31.902 1.00 51.14 H new ATOM 0 HB2 MET A 60 15.634 -78.100 -29.821 1.00 62.43 H new ATOM 0 HB3 MET A 60 15.472 -76.728 -30.899 1.00 62.43 H new ATOM 0 HG2 MET A 60 13.841 -79.186 -31.464 1.00 13.12 H new ATOM 0 HG3 MET A 60 13.368 -78.162 -30.123 1.00 13.12 H new ATOM 0 HE1 MET A 60 11.179 -75.683 -31.760 1.00 64.43 H new ATOM 0 HE2 MET A 60 11.135 -77.216 -30.856 1.00 64.43 H new ATOM 0 HE3 MET A 60 12.205 -75.898 -30.321 1.00 64.43 H new ATOM 992 N LYS A 61 16.870 -76.727 -33.417 1.00 33.42 N ATOM 993 CA LYS A 61 16.815 -76.023 -34.692 1.00 54.41 C ATOM 994 C LYS A 61 17.404 -76.875 -35.811 1.00 21.41 C ATOM 995 O LYS A 61 16.824 -76.985 -36.891 1.00 32.04 O ATOM 996 CB LYS A 61 17.569 -74.694 -34.597 1.00 70.42 C ATOM 997 CG LYS A 61 16.710 -73.540 -34.110 1.00 71.43 C ATOM 998 CD LYS A 61 16.181 -73.792 -32.708 1.00 51.32 C ATOM 999 CE LYS A 61 15.788 -72.494 -32.020 1.00 13.32 C ATOM 1000 NZ LYS A 61 14.391 -72.094 -32.346 1.00 34.24 N ATOM 0 H LYS A 61 17.482 -76.297 -32.724 1.00 33.42 H new ATOM 0 HA LYS A 61 15.769 -75.825 -34.924 1.00 54.41 H new ATOM 0 HB2 LYS A 61 18.417 -74.814 -33.923 1.00 70.42 H new ATOM 0 HB3 LYS A 61 17.975 -74.445 -35.578 1.00 70.42 H new ATOM 0 HG2 LYS A 61 17.295 -72.620 -34.119 1.00 71.43 H new ATOM 0 HG3 LYS A 61 15.874 -73.393 -34.794 1.00 71.43 H new ATOM 0 HD2 LYS A 61 15.317 -74.455 -32.757 1.00 51.32 H new ATOM 0 HD3 LYS A 61 16.941 -74.303 -32.117 1.00 51.32 H new ATOM 0 HE2 LYS A 61 15.890 -72.610 -30.941 1.00 13.32 H new ATOM 0 HE3 LYS A 61 16.473 -71.701 -32.322 1.00 13.32 H new ATOM 0 HZ1 LYS A 61 14.162 -71.205 -31.858 1.00 34.24 H new ATOM 0 HZ2 LYS A 61 14.299 -71.959 -33.373 1.00 34.24 H new ATOM 0 HZ3 LYS A 61 13.735 -72.839 -32.035 1.00 34.24 H new ATOM 1014 N GLN A 62 18.559 -77.478 -35.544 1.00 54.53 N ATOM 1015 CA GLN A 62 19.225 -78.321 -36.529 1.00 70.14 C ATOM 1016 C GLN A 62 18.334 -79.490 -36.937 1.00 23.24 C ATOM 1017 O GLN A 62 18.438 -80.004 -38.051 1.00 10.12 O ATOM 1018 CB GLN A 62 20.550 -78.844 -35.971 1.00 72.04 C ATOM 1019 CG GLN A 62 21.631 -77.780 -35.873 1.00 13.34 C ATOM 1020 CD GLN A 62 22.228 -77.428 -37.221 1.00 2.23 C ATOM 1021 OE1 GLN A 62 21.764 -76.510 -37.898 1.00 72.41 O ATOM 1022 NE2 GLN A 62 23.265 -78.157 -37.618 1.00 35.03 N ATOM 0 H GLN A 62 19.052 -77.398 -34.655 1.00 54.53 H new ATOM 0 HA GLN A 62 19.425 -77.715 -37.413 1.00 70.14 H new ATOM 0 HB2 GLN A 62 20.376 -79.266 -34.981 1.00 72.04 H new ATOM 0 HB3 GLN A 62 20.907 -79.655 -36.605 1.00 72.04 H new ATOM 0 HG2 GLN A 62 21.211 -76.882 -35.420 1.00 13.34 H new ATOM 0 HG3 GLN A 62 22.422 -78.131 -35.210 1.00 13.34 H new ATOM 0 HE21 GLN A 62 23.617 -78.908 -37.025 1.00 35.03 H new ATOM 0 HE22 GLN A 62 23.709 -77.965 -38.516 1.00 35.03 H new ATOM 1031 N TYR A 63 17.460 -79.906 -36.027 1.00 61.01 N ATOM 1032 CA TYR A 63 16.553 -81.017 -36.291 1.00 11.34 C ATOM 1033 C TYR A 63 15.214 -80.513 -36.819 1.00 54.55 C ATOM 1034 O TYR A 63 14.222 -81.241 -36.826 1.00 40.33 O ATOM 1035 CB TYR A 63 16.335 -81.838 -35.018 1.00 42.45 C ATOM 1036 CG TYR A 63 15.715 -83.193 -35.271 1.00 74.03 C ATOM 1037 CD1 TYR A 63 16.454 -84.222 -35.842 1.00 3.15 C ATOM 1038 CD2 TYR A 63 14.389 -83.445 -34.941 1.00 52.30 C ATOM 1039 CE1 TYR A 63 15.891 -85.462 -36.075 1.00 44.21 C ATOM 1040 CE2 TYR A 63 13.818 -84.682 -35.170 1.00 1.24 C ATOM 1041 CZ TYR A 63 14.573 -85.687 -35.737 1.00 3.11 C ATOM 1042 OH TYR A 63 14.008 -86.920 -35.968 1.00 21.25 O ATOM 0 H TYR A 63 17.360 -79.491 -35.101 1.00 61.01 H new ATOM 0 HA TYR A 63 17.008 -81.651 -37.052 1.00 11.34 H new ATOM 0 HB2 TYR A 63 17.292 -81.974 -34.515 1.00 42.45 H new ATOM 0 HB3 TYR A 63 15.695 -81.276 -34.338 1.00 42.45 H new ATOM 0 HD1 TYR A 63 17.486 -84.049 -36.108 1.00 3.15 H new ATOM 0 HD2 TYR A 63 13.794 -82.660 -34.498 1.00 52.30 H new ATOM 0 HE1 TYR A 63 16.480 -86.251 -36.519 1.00 44.21 H new ATOM 0 HE2 TYR A 63 12.786 -84.861 -34.906 1.00 1.24 H new ATOM 0 HH TYR A 63 13.074 -86.912 -35.672 1.00 21.25 H new ATOM 1052 N GLY A 64 15.194 -79.259 -37.263 1.00 72.22 N ATOM 1053 CA GLY A 64 13.972 -78.678 -37.789 1.00 4.43 C ATOM 1054 C GLY A 64 13.857 -78.833 -39.292 1.00 55.31 C ATOM 1055 O GLY A 64 14.589 -78.193 -40.046 1.00 72.11 O ATOM 0 H GLY A 64 16.002 -78.636 -37.268 1.00 72.22 H new ATOM 0 HA2 GLY A 64 13.114 -79.151 -37.311 1.00 4.43 H new ATOM 0 HA3 GLY A 64 13.937 -77.619 -37.532 1.00 4.43 H new ATOM 1059 N GLU A 65 12.935 -79.686 -39.728 1.00 50.22 N ATOM 1060 CA GLU A 65 12.728 -79.924 -41.152 1.00 25.21 C ATOM 1061 C GLU A 65 11.783 -78.884 -41.746 1.00 63.03 C ATOM 1062 O GLU A 65 12.197 -78.033 -42.532 1.00 42.51 O ATOM 1063 CB GLU A 65 12.167 -81.329 -41.380 1.00 70.22 C ATOM 1064 CG GLU A 65 12.970 -82.424 -40.698 1.00 43.13 C ATOM 1065 CD GLU A 65 12.253 -83.760 -40.698 1.00 13.22 C ATOM 1066 OE1 GLU A 65 11.059 -83.791 -41.063 1.00 33.21 O ATOM 1067 OE2 GLU A 65 12.884 -84.773 -40.332 1.00 42.02 O ATOM 0 H GLU A 65 12.320 -80.223 -39.116 1.00 50.22 H new ATOM 0 HA GLU A 65 13.693 -79.840 -41.652 1.00 25.21 H new ATOM 0 HB2 GLU A 65 11.140 -81.364 -41.017 1.00 70.22 H new ATOM 0 HB3 GLU A 65 12.134 -81.528 -42.451 1.00 70.22 H new ATOM 0 HG2 GLU A 65 13.931 -82.532 -41.201 1.00 43.13 H new ATOM 0 HG3 GLU A 65 13.180 -82.129 -39.670 1.00 43.13 H new TER 1074 GLU A 65