USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=14 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= -1.61 K(o=-1.6,f=-6.9!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.601 K(o=-0.6,f=-4.6!) 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+ -158:sc= -0.106 (180deg=-0.505) USER MOD Single : A 17 THR OG1 : rot -61:sc= 0.777 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.457 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= -0.0145 X(o=-0.015,f=-0.24) USER MOD Single : A 29 SER OG : rot -37:sc= 0.518 USER MOD Single : A 30 GLN : amide:sc= -1.3 K(o=-1.3,f=-6.9!) USER MOD Single : A 34 SER OG : rot 63:sc= 0.0148 USER MOD Single : A 37 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0476) 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 USER MOD Single : A 50 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.18) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -157:sc= -0.119 (180deg=-0.746) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.305 K(o=-0.3,f=-1.2!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 2.946 -9.890 8.212 1.00 42.14 N ATOM 2 CA PRO A 1 3.779 -8.996 7.402 1.00 4.43 C ATOM 3 C PRO A 1 4.467 -9.726 6.254 1.00 43.42 C ATOM 4 O PRO A 1 4.606 -9.185 5.157 1.00 51.25 O ATOM 5 CB PRO A 1 4.815 -8.475 8.402 1.00 43.12 C ATOM 6 CG PRO A 1 4.893 -9.530 9.451 1.00 12.41 C ATOM 7 CD PRO A 1 3.511 -10.115 9.553 1.00 65.15 C ATOM 0 H2 PRO A 1 2.845 -10.785 7.733 1.00 42.14 H new ATOM 0 H3 PRO A 1 2.011 -9.492 8.301 1.00 42.14 H new ATOM 0 HA PRO A 1 3.191 -8.210 6.927 1.00 4.43 H new ATOM 0 HB2 PRO A 1 5.782 -8.319 7.925 1.00 43.12 H new ATOM 0 HB3 PRO A 1 4.510 -7.518 8.825 1.00 43.12 H new ATOM 0 HG2 PRO A 1 5.622 -10.295 9.182 1.00 12.41 H new ATOM 0 HG3 PRO A 1 5.210 -9.109 10.405 1.00 12.41 H new ATOM 0 HD2 PRO A 1 3.541 -11.175 9.804 1.00 65.15 H new ATOM 0 HD3 PRO A 1 2.922 -9.621 10.326 1.00 65.15 H new ATOM 15 N ARG A 2 4.896 -10.956 6.513 1.00 30.53 N ATOM 16 CA ARG A 2 5.570 -11.760 5.501 1.00 62.12 C ATOM 17 C ARG A 2 4.666 -12.887 5.011 1.00 62.43 C ATOM 18 O ARG A 2 4.411 -13.850 5.733 1.00 40.00 O ATOM 19 CB ARG A 2 6.869 -12.341 6.062 1.00 23.11 C ATOM 20 CG ARG A 2 7.985 -11.318 6.200 1.00 13.20 C ATOM 21 CD ARG A 2 7.898 -10.575 7.524 1.00 5.20 C ATOM 22 NE ARG A 2 7.983 -11.481 8.666 1.00 14.35 N ATOM 23 CZ ARG A 2 9.097 -12.108 9.027 1.00 51.33 C ATOM 24 NH1 ARG A 2 10.215 -11.928 8.338 1.00 42.34 N ATOM 25 NH2 ARG A 2 9.094 -12.916 10.079 1.00 61.54 N ATOM 0 H ARG A 2 4.789 -11.418 7.416 1.00 30.53 H new ATOM 0 HA ARG A 2 5.805 -11.113 4.656 1.00 62.12 H new ATOM 0 HB2 ARG A 2 6.668 -12.781 7.039 1.00 23.11 H new ATOM 0 HB3 ARG A 2 7.206 -13.148 5.412 1.00 23.11 H new ATOM 0 HG2 ARG A 2 8.950 -11.819 6.125 1.00 13.20 H new ATOM 0 HG3 ARG A 2 7.931 -10.605 5.377 1.00 13.20 H new ATOM 0 HD2 ARG A 2 8.703 -9.842 7.582 1.00 5.20 H new ATOM 0 HD3 ARG A 2 6.960 -10.022 7.569 1.00 5.20 H new ATOM 0 HE ARG A 2 7.140 -11.641 9.217 1.00 14.35 H new ATOM 0 HH11 ARG A 2 10.221 -11.307 7.529 1.00 42.34 H new ATOM 0 HH12 ARG A 2 11.069 -12.410 8.617 1.00 42.34 H new ATOM 0 HH21 ARG A 2 8.236 -13.056 10.612 1.00 61.54 H new ATOM 0 HH22 ARG A 2 9.950 -13.397 10.355 1.00 61.54 H new ATOM 39 N ASN A 3 4.185 -12.760 3.778 1.00 12.45 N ATOM 40 CA ASN A 3 3.308 -13.767 3.192 1.00 2.01 C ATOM 41 C ASN A 3 3.484 -13.826 1.678 1.00 64.42 C ATOM 42 O ASN A 3 4.298 -13.099 1.107 1.00 72.14 O ATOM 43 CB ASN A 3 1.848 -13.465 3.535 1.00 2.25 C ATOM 44 CG ASN A 3 1.453 -12.045 3.180 1.00 13.50 C ATOM 45 OD1 ASN A 3 2.197 -11.331 2.507 1.00 73.22 O ATOM 46 ND2 ASN A 3 0.276 -11.627 3.633 1.00 60.44 N ATOM 0 H ASN A 3 4.388 -11.970 3.166 1.00 12.45 H new ATOM 0 HA ASN A 3 3.579 -14.736 3.610 1.00 2.01 H new ATOM 0 HB2 ASN A 3 1.201 -14.163 3.004 1.00 2.25 H new ATOM 0 HB3 ASN A 3 1.687 -13.629 4.600 1.00 2.25 H new ATOM 0 HD21 ASN A 3 -0.043 -10.680 3.426 1.00 60.44 H new ATOM 0 HD22 ASN A 3 -0.309 -12.253 4.187 1.00 60.44 H new ATOM 53 N THR A 4 2.716 -14.698 1.032 1.00 52.23 N ATOM 54 CA THR A 4 2.787 -14.853 -0.416 1.00 34.13 C ATOM 55 C THR A 4 2.305 -13.594 -1.128 1.00 21.40 C ATOM 56 O THR A 4 2.693 -13.326 -2.265 1.00 62.42 O ATOM 57 CB THR A 4 1.947 -16.053 -0.894 1.00 10.24 C ATOM 58 OG1 THR A 4 2.376 -17.247 -0.229 1.00 55.40 O ATOM 59 CG2 THR A 4 2.069 -16.233 -2.399 1.00 53.02 C ATOM 0 H THR A 4 2.038 -15.308 1.489 1.00 52.23 H new ATOM 0 HA THR A 4 3.834 -15.029 -0.664 1.00 34.13 H new ATOM 0 HB THR A 4 0.903 -15.858 -0.651 1.00 10.24 H new ATOM 0 HG1 THR A 4 1.836 -18.005 -0.537 1.00 55.40 H new ATOM 0 HG21 THR A 4 1.468 -17.086 -2.713 1.00 53.02 H new ATOM 0 HG22 THR A 4 1.715 -15.334 -2.903 1.00 53.02 H new ATOM 0 HG23 THR A 4 3.112 -16.409 -2.661 1.00 53.02 H new ATOM 67 N ARG A 5 1.458 -12.825 -0.452 1.00 43.20 N ATOM 68 CA ARG A 5 0.923 -11.594 -1.021 1.00 45.24 C ATOM 69 C ARG A 5 2.048 -10.700 -1.537 1.00 74.11 C ATOM 70 O ARG A 5 1.867 -9.953 -2.498 1.00 4.43 O ATOM 71 CB ARG A 5 0.097 -10.841 0.023 1.00 41.22 C ATOM 72 CG ARG A 5 -0.579 -9.593 -0.520 1.00 51.43 C ATOM 73 CD ARG A 5 -1.833 -9.937 -1.309 1.00 11.42 C ATOM 74 NE ARG A 5 -2.942 -10.314 -0.436 1.00 41.24 N ATOM 75 CZ ARG A 5 -4.201 -10.411 -0.848 1.00 40.15 C ATOM 76 NH1 ARG A 5 -4.509 -10.160 -2.113 1.00 73.34 N ATOM 77 NH2 ARG A 5 -5.155 -10.760 0.005 1.00 22.04 N ATOM 0 H ARG A 5 1.127 -13.033 0.490 1.00 43.20 H new ATOM 0 HA ARG A 5 0.280 -11.860 -1.860 1.00 45.24 H new ATOM 0 HB2 ARG A 5 -0.664 -11.511 0.424 1.00 41.22 H new ATOM 0 HB3 ARG A 5 0.745 -10.561 0.854 1.00 41.22 H new ATOM 0 HG2 ARG A 5 -0.838 -8.930 0.305 1.00 51.43 H new ATOM 0 HG3 ARG A 5 0.117 -9.050 -1.159 1.00 51.43 H new ATOM 0 HD2 ARG A 5 -2.125 -9.081 -1.917 1.00 11.42 H new ATOM 0 HD3 ARG A 5 -1.617 -10.756 -1.995 1.00 11.42 H new ATOM 0 HE ARG A 5 -2.738 -10.514 0.543 1.00 41.24 H new ATOM 0 HH11 ARG A 5 -3.778 -9.892 -2.772 1.00 73.34 H new ATOM 0 HH12 ARG A 5 -5.477 -10.235 -2.427 1.00 73.34 H new ATOM 0 HH21 ARG A 5 -4.922 -10.954 0.979 1.00 22.04 H new ATOM 0 HH22 ARG A 5 -6.121 -10.834 -0.313 1.00 22.04 H new ATOM 91 N GLU A 6 3.207 -10.783 -0.891 1.00 75.31 N ATOM 92 CA GLU A 6 4.359 -9.981 -1.284 1.00 52.33 C ATOM 93 C GLU A 6 5.541 -10.871 -1.655 1.00 70.35 C ATOM 94 O GLU A 6 6.306 -11.299 -0.791 1.00 30.20 O ATOM 95 CB GLU A 6 4.757 -9.031 -0.152 1.00 61.24 C ATOM 96 CG GLU A 6 4.795 -9.695 1.214 1.00 63.12 C ATOM 97 CD GLU A 6 5.064 -8.709 2.334 1.00 25.21 C ATOM 98 OE1 GLU A 6 6.243 -8.558 2.720 1.00 34.44 O ATOM 99 OE2 GLU A 6 4.098 -8.089 2.824 1.00 20.15 O ATOM 0 H GLU A 6 3.373 -11.397 -0.094 1.00 75.31 H new ATOM 0 HA GLU A 6 4.079 -9.395 -2.159 1.00 52.33 H new ATOM 0 HB2 GLU A 6 5.739 -8.611 -0.370 1.00 61.24 H new ATOM 0 HB3 GLU A 6 4.053 -8.199 -0.123 1.00 61.24 H new ATOM 0 HG2 GLU A 6 3.845 -10.196 1.397 1.00 63.12 H new ATOM 0 HG3 GLU A 6 5.567 -10.464 1.219 1.00 63.12 H new ATOM 106 N VAL A 7 5.684 -11.147 -2.948 1.00 34.20 N ATOM 107 CA VAL A 7 6.772 -11.986 -3.435 1.00 60.21 C ATOM 108 C VAL A 7 8.116 -11.515 -2.890 1.00 55.43 C ATOM 109 O VAL A 7 9.026 -12.315 -2.676 1.00 2.13 O ATOM 110 CB VAL A 7 6.829 -11.994 -4.974 1.00 71.23 C ATOM 111 CG1 VAL A 7 7.908 -12.948 -5.464 1.00 0.21 C ATOM 112 CG2 VAL A 7 5.473 -12.367 -5.555 1.00 41.31 C ATOM 0 H VAL A 7 5.060 -10.801 -3.677 1.00 34.20 H new ATOM 0 HA VAL A 7 6.574 -12.998 -3.081 1.00 60.21 H new ATOM 0 HB VAL A 7 7.082 -10.990 -5.316 1.00 71.23 H new ATOM 0 HG11 VAL A 7 7.933 -12.940 -6.554 1.00 0.21 H new ATOM 0 HG12 VAL A 7 8.876 -12.632 -5.076 1.00 0.21 H new ATOM 0 HG13 VAL A 7 7.688 -13.957 -5.114 1.00 0.21 H new ATOM 0 HG21 VAL A 7 5.531 -12.368 -6.643 1.00 41.31 H new ATOM 0 HG22 VAL A 7 5.188 -13.360 -5.206 1.00 41.31 H new ATOM 0 HG23 VAL A 7 4.727 -11.641 -5.232 1.00 41.31 H new ATOM 122 N PHE A 8 8.232 -10.210 -2.668 1.00 3.43 N ATOM 123 CA PHE A 8 9.465 -9.630 -2.148 1.00 24.21 C ATOM 124 C PHE A 8 9.897 -10.332 -0.863 1.00 54.42 C ATOM 125 O PHE A 8 11.085 -10.553 -0.633 1.00 60.12 O ATOM 126 CB PHE A 8 9.281 -8.134 -1.888 1.00 13.31 C ATOM 127 CG PHE A 8 8.834 -7.365 -3.099 1.00 65.50 C ATOM 128 CD1 PHE A 8 7.495 -7.069 -3.293 1.00 40.00 C ATOM 129 CD2 PHE A 8 9.755 -6.940 -4.044 1.00 34.32 C ATOM 130 CE1 PHE A 8 7.081 -6.362 -4.406 1.00 41.13 C ATOM 131 CE2 PHE A 8 9.347 -6.233 -5.159 1.00 13.44 C ATOM 132 CZ PHE A 8 8.008 -5.944 -5.341 1.00 22.13 C ATOM 0 H PHE A 8 7.488 -9.534 -2.840 1.00 3.43 H new ATOM 0 HA PHE A 8 10.245 -9.768 -2.897 1.00 24.21 H new ATOM 0 HB2 PHE A 8 8.549 -7.999 -1.091 1.00 13.31 H new ATOM 0 HB3 PHE A 8 10.222 -7.717 -1.530 1.00 13.31 H new ATOM 0 HD1 PHE A 8 6.766 -7.395 -2.566 1.00 40.00 H new ATOM 0 HD2 PHE A 8 10.803 -7.164 -3.907 1.00 34.32 H new ATOM 0 HE1 PHE A 8 6.034 -6.137 -4.545 1.00 41.13 H new ATOM 0 HE2 PHE A 8 10.074 -5.907 -5.888 1.00 13.44 H new ATOM 0 HZ PHE A 8 7.687 -5.393 -6.212 1.00 22.13 H new ATOM 142 N ALA A 9 8.921 -10.678 -0.029 1.00 45.22 N ATOM 143 CA ALA A 9 9.199 -11.355 1.231 1.00 31.03 C ATOM 144 C ALA A 9 9.592 -12.810 0.998 1.00 0.21 C ATOM 145 O ALA A 9 10.290 -13.411 1.814 1.00 60.32 O ATOM 146 CB ALA A 9 7.990 -11.274 2.151 1.00 34.12 C ATOM 0 H ALA A 9 7.932 -10.500 -0.204 1.00 45.22 H new ATOM 0 HA ALA A 9 10.040 -10.851 1.708 1.00 31.03 H new ATOM 0 HB1 ALA A 9 8.211 -11.784 3.089 1.00 34.12 H new ATOM 0 HB2 ALA A 9 7.756 -10.229 2.353 1.00 34.12 H new ATOM 0 HB3 ALA A 9 7.135 -11.751 1.672 1.00 34.12 H new ATOM 152 N GLN A 10 9.139 -13.369 -0.119 1.00 52.54 N ATOM 153 CA GLN A 10 9.443 -14.754 -0.458 1.00 51.21 C ATOM 154 C GLN A 10 10.949 -14.993 -0.471 1.00 41.14 C ATOM 155 O GLN A 10 11.412 -16.113 -0.258 1.00 62.41 O ATOM 156 CB GLN A 10 8.846 -15.111 -1.820 1.00 52.24 C ATOM 157 CG GLN A 10 8.862 -16.601 -2.120 1.00 35.11 C ATOM 158 CD GLN A 10 7.868 -16.990 -3.197 1.00 31.54 C ATOM 159 OE1 GLN A 10 8.186 -16.974 -4.386 1.00 73.01 O ATOM 160 NE2 GLN A 10 6.656 -17.344 -2.784 1.00 62.14 N ATOM 0 H GLN A 10 8.560 -12.884 -0.805 1.00 52.54 H new ATOM 0 HA GLN A 10 8.999 -15.394 0.304 1.00 51.21 H new ATOM 0 HB2 GLN A 10 7.818 -14.751 -1.862 1.00 52.24 H new ATOM 0 HB3 GLN A 10 9.399 -14.586 -2.599 1.00 52.24 H new ATOM 0 HG2 GLN A 10 9.864 -16.894 -2.433 1.00 35.11 H new ATOM 0 HG3 GLN A 10 8.638 -17.154 -1.208 1.00 35.11 H new ATOM 0 HE21 GLN A 10 6.436 -17.343 -1.788 1.00 62.14 H new ATOM 0 HE22 GLN A 10 5.945 -17.617 -3.463 1.00 62.14 H new ATOM 169 N VAL A 11 11.709 -13.932 -0.724 1.00 25.21 N ATOM 170 CA VAL A 11 13.164 -14.026 -0.764 1.00 71.54 C ATOM 171 C VAL A 11 13.709 -14.664 0.509 1.00 50.33 C ATOM 172 O VAL A 11 14.743 -15.331 0.489 1.00 62.42 O ATOM 173 CB VAL A 11 13.811 -12.641 -0.950 1.00 21.22 C ATOM 174 CG1 VAL A 11 13.559 -11.767 0.269 1.00 43.51 C ATOM 175 CG2 VAL A 11 15.302 -12.782 -1.217 1.00 2.34 C ATOM 0 H VAL A 11 11.342 -12.998 -0.904 1.00 25.21 H new ATOM 0 HA VAL A 11 13.417 -14.654 -1.618 1.00 71.54 H new ATOM 0 HB VAL A 11 13.355 -12.158 -1.814 1.00 21.22 H new ATOM 0 HG11 VAL A 11 14.023 -10.792 0.120 1.00 43.51 H new ATOM 0 HG12 VAL A 11 12.486 -11.640 0.410 1.00 43.51 H new ATOM 0 HG13 VAL A 11 13.987 -12.242 1.152 1.00 43.51 H new ATOM 0 HG21 VAL A 11 15.744 -11.794 -1.346 1.00 2.34 H new ATOM 0 HG22 VAL A 11 15.777 -13.284 -0.374 1.00 2.34 H new ATOM 0 HG23 VAL A 11 15.456 -13.369 -2.122 1.00 2.34 H new ATOM 185 N LYS A 12 13.006 -14.454 1.617 1.00 41.34 N ATOM 186 CA LYS A 12 13.417 -15.009 2.901 1.00 41.42 C ATOM 187 C LYS A 12 13.365 -16.533 2.876 1.00 5.15 C ATOM 188 O LYS A 12 14.164 -17.200 3.534 1.00 52.21 O ATOM 189 CB LYS A 12 12.521 -14.475 4.021 1.00 73.25 C ATOM 190 CG LYS A 12 11.130 -15.085 4.029 1.00 72.31 C ATOM 191 CD LYS A 12 11.051 -16.281 4.963 1.00 20.12 C ATOM 192 CE LYS A 12 10.688 -15.859 6.379 1.00 75.53 C ATOM 193 NZ LYS A 12 9.996 -16.949 7.122 1.00 71.14 N ATOM 0 H LYS A 12 12.148 -13.903 1.651 1.00 41.34 H new ATOM 0 HA LYS A 12 14.446 -14.701 3.090 1.00 41.42 H new ATOM 0 HB2 LYS A 12 12.999 -14.669 4.981 1.00 73.25 H new ATOM 0 HB3 LYS A 12 12.434 -13.393 3.921 1.00 73.25 H new ATOM 0 HG2 LYS A 12 10.404 -14.333 4.337 1.00 72.31 H new ATOM 0 HG3 LYS A 12 10.861 -15.393 3.019 1.00 72.31 H new ATOM 0 HD2 LYS A 12 10.308 -16.986 4.591 1.00 20.12 H new ATOM 0 HD3 LYS A 12 12.009 -16.801 4.971 1.00 20.12 H new ATOM 0 HE2 LYS A 12 11.592 -15.571 6.915 1.00 75.53 H new ATOM 0 HE3 LYS A 12 10.045 -14.979 6.342 1.00 75.53 H new ATOM 0 HZ1 LYS A 12 9.765 -16.623 8.082 1.00 71.14 H new ATOM 0 HZ2 LYS A 12 9.120 -17.207 6.624 1.00 71.14 H new ATOM 0 HZ3 LYS A 12 10.619 -17.780 7.179 1.00 71.14 H new ATOM 207 N GLN A 13 12.423 -17.076 2.114 1.00 75.44 N ATOM 208 CA GLN A 13 12.269 -18.522 2.004 1.00 74.21 C ATOM 209 C GLN A 13 13.577 -19.178 1.574 1.00 12.12 C ATOM 210 O GLN A 13 13.887 -20.295 1.987 1.00 4.21 O ATOM 211 CB GLN A 13 11.161 -18.864 1.006 1.00 60.21 C ATOM 212 CG GLN A 13 9.800 -18.310 1.394 1.00 11.21 C ATOM 213 CD GLN A 13 9.128 -19.121 2.484 1.00 24.42 C ATOM 214 OE1 GLN A 13 9.326 -18.869 3.673 1.00 23.41 O ATOM 215 NE2 GLN A 13 8.328 -20.103 2.084 1.00 1.22 N ATOM 0 H GLN A 13 11.754 -16.537 1.563 1.00 75.44 H new ATOM 0 HA GLN A 13 11.996 -18.908 2.986 1.00 74.21 H new ATOM 0 HB2 GLN A 13 11.435 -18.477 0.025 1.00 60.21 H new ATOM 0 HB3 GLN A 13 11.090 -19.948 0.912 1.00 60.21 H new ATOM 0 HG2 GLN A 13 9.914 -17.280 1.731 1.00 11.21 H new ATOM 0 HG3 GLN A 13 9.157 -18.288 0.514 1.00 11.21 H new ATOM 0 HE21 GLN A 13 8.193 -20.277 1.088 1.00 1.22 H new ATOM 0 HE22 GLN A 13 7.849 -20.683 2.773 1.00 1.22 H new ATOM 224 N MET A 14 14.339 -18.476 0.742 1.00 4.13 N ATOM 225 CA MET A 14 15.615 -18.990 0.257 1.00 30.24 C ATOM 226 C MET A 14 16.603 -19.164 1.406 1.00 4.32 C ATOM 227 O MET A 14 17.272 -18.212 1.811 1.00 30.54 O ATOM 228 CB MET A 14 16.201 -18.049 -0.797 1.00 72.42 C ATOM 229 CG MET A 14 17.130 -18.742 -1.781 1.00 21.24 C ATOM 230 SD MET A 14 18.236 -17.592 -2.620 1.00 3.45 S ATOM 231 CE MET A 14 18.112 -18.173 -4.309 1.00 30.30 C ATOM 0 H MET A 14 14.096 -17.550 0.390 1.00 4.13 H new ATOM 0 HA MET A 14 15.437 -19.965 -0.196 1.00 30.24 H new ATOM 0 HB2 MET A 14 15.385 -17.581 -1.348 1.00 72.42 H new ATOM 0 HB3 MET A 14 16.747 -17.250 -0.296 1.00 72.42 H new ATOM 0 HG2 MET A 14 17.722 -19.489 -1.252 1.00 21.24 H new ATOM 0 HG3 MET A 14 16.535 -19.275 -2.523 1.00 21.24 H new ATOM 0 HE1 MET A 14 18.743 -17.559 -4.952 1.00 30.30 H new ATOM 0 HE2 MET A 14 18.441 -19.211 -4.362 1.00 30.30 H new ATOM 0 HE3 MET A 14 17.077 -18.103 -4.643 1.00 30.30 H new ATOM 241 N TYR A 15 16.690 -20.383 1.927 1.00 43.42 N ATOM 242 CA TYR A 15 17.595 -20.679 3.031 1.00 62.41 C ATOM 243 C TYR A 15 18.489 -21.870 2.698 1.00 73.40 C ATOM 244 O TYR A 15 19.701 -21.832 2.911 1.00 52.43 O ATOM 245 CB TYR A 15 16.801 -20.965 4.306 1.00 13.55 C ATOM 246 CG TYR A 15 17.565 -20.665 5.576 1.00 44.41 C ATOM 247 CD1 TYR A 15 18.598 -21.492 6.000 1.00 34.52 C ATOM 248 CD2 TYR A 15 17.255 -19.554 6.351 1.00 23.45 C ATOM 249 CE1 TYR A 15 19.299 -21.223 7.160 1.00 53.13 C ATOM 250 CE2 TYR A 15 17.952 -19.276 7.511 1.00 31.35 C ATOM 251 CZ TYR A 15 18.972 -20.114 7.912 1.00 45.55 C ATOM 252 OH TYR A 15 19.668 -19.841 9.067 1.00 11.32 O ATOM 0 H TYR A 15 16.145 -21.182 1.603 1.00 43.42 H new ATOM 0 HA TYR A 15 18.228 -19.806 3.193 1.00 62.41 H new ATOM 0 HB2 TYR A 15 15.886 -20.373 4.294 1.00 13.55 H new ATOM 0 HB3 TYR A 15 16.503 -22.013 4.311 1.00 13.55 H new ATOM 0 HD1 TYR A 15 18.858 -22.360 5.413 1.00 34.52 H new ATOM 0 HD2 TYR A 15 16.456 -18.897 6.041 1.00 23.45 H new ATOM 0 HE1 TYR A 15 20.098 -21.877 7.476 1.00 53.13 H new ATOM 0 HE2 TYR A 15 17.700 -18.407 8.101 1.00 31.35 H new ATOM 0 HH TYR A 15 19.314 -19.024 9.477 1.00 11.32 H new ATOM 262 N LYS A 16 17.881 -22.929 2.173 1.00 31.03 N ATOM 263 CA LYS A 16 18.619 -24.132 1.808 1.00 73.41 C ATOM 264 C LYS A 16 19.702 -23.816 0.781 1.00 15.11 C ATOM 265 O LYS A 16 19.479 -23.923 -0.425 1.00 54.13 O ATOM 266 CB LYS A 16 17.665 -25.190 1.249 1.00 73.40 C ATOM 267 CG LYS A 16 17.103 -26.123 2.308 1.00 13.21 C ATOM 268 CD LYS A 16 18.145 -27.123 2.781 1.00 52.52 C ATOM 269 CE LYS A 16 18.389 -28.206 1.742 1.00 62.12 C ATOM 270 NZ LYS A 16 17.167 -29.019 1.490 1.00 40.21 N ATOM 0 H LYS A 16 16.879 -22.978 1.991 1.00 31.03 H new ATOM 0 HA LYS A 16 19.098 -24.521 2.707 1.00 73.41 H new ATOM 0 HB2 LYS A 16 16.840 -24.691 0.742 1.00 73.40 H new ATOM 0 HB3 LYS A 16 18.190 -25.781 0.498 1.00 73.40 H new ATOM 0 HG2 LYS A 16 16.747 -25.539 3.156 1.00 13.21 H new ATOM 0 HG3 LYS A 16 16.242 -26.657 1.904 1.00 13.21 H new ATOM 0 HD2 LYS A 16 19.079 -26.604 2.993 1.00 52.52 H new ATOM 0 HD3 LYS A 16 17.815 -27.580 3.714 1.00 52.52 H new ATOM 0 HE2 LYS A 16 18.718 -27.747 0.810 1.00 62.12 H new ATOM 0 HE3 LYS A 16 19.195 -28.857 2.079 1.00 62.12 H new ATOM 0 HZ1 LYS A 16 17.439 -29.940 1.090 1.00 40.21 H new ATOM 0 HZ2 LYS A 16 16.658 -29.167 2.385 1.00 40.21 H new ATOM 0 HZ3 LYS A 16 16.549 -28.519 0.819 1.00 40.21 H new ATOM 284 N THR A 17 20.876 -23.427 1.267 1.00 2.22 N ATOM 285 CA THR A 17 21.994 -23.095 0.392 1.00 35.41 C ATOM 286 C THR A 17 23.302 -23.662 0.932 1.00 74.21 C ATOM 287 O THR A 17 24.344 -23.007 0.914 1.00 20.33 O ATOM 288 CB THR A 17 22.140 -21.572 0.220 1.00 14.42 C ATOM 289 OG1 THR A 17 23.194 -21.282 -0.704 1.00 50.24 O ATOM 290 CG2 THR A 17 22.430 -20.902 1.555 1.00 42.12 C ATOM 0 H THR A 17 21.078 -23.334 2.263 1.00 2.22 H new ATOM 0 HA THR A 17 21.780 -23.543 -0.578 1.00 35.41 H new ATOM 0 HB THR A 17 21.200 -21.181 -0.168 1.00 14.42 H new ATOM 0 HG1 THR A 17 24.039 -21.637 -0.358 1.00 50.24 H new ATOM 0 HG21 THR A 17 22.529 -19.826 1.408 1.00 42.12 H new ATOM 0 HG22 THR A 17 21.611 -21.100 2.247 1.00 42.12 H new ATOM 0 HG23 THR A 17 23.358 -21.299 1.967 1.00 42.12 H new ATOM 298 N PRO A 18 23.249 -24.909 1.423 1.00 21.21 N ATOM 299 CA PRO A 18 24.422 -25.592 1.976 1.00 23.13 C ATOM 300 C PRO A 18 25.443 -25.953 0.902 1.00 32.34 C ATOM 301 O PRO A 18 25.322 -25.536 -0.250 1.00 11.31 O ATOM 302 CB PRO A 18 23.833 -26.859 2.602 1.00 41.03 C ATOM 303 CG PRO A 18 22.574 -27.105 1.844 1.00 23.31 C ATOM 304 CD PRO A 18 22.040 -25.749 1.476 1.00 44.41 C ATOM 0 HA PRO A 18 24.964 -24.963 2.683 1.00 23.13 H new ATOM 0 HB2 PRO A 18 24.520 -27.701 2.513 1.00 41.03 H new ATOM 0 HB3 PRO A 18 23.635 -26.720 3.665 1.00 41.03 H new ATOM 0 HG2 PRO A 18 22.765 -27.704 0.954 1.00 23.31 H new ATOM 0 HG3 PRO A 18 21.855 -27.656 2.450 1.00 23.31 H new ATOM 0 HD2 PRO A 18 21.522 -25.768 0.517 1.00 44.41 H new ATOM 0 HD3 PRO A 18 21.328 -25.383 2.216 1.00 44.41 H new ATOM 312 N THR A 19 26.449 -26.733 1.287 1.00 40.43 N ATOM 313 CA THR A 19 27.491 -27.149 0.357 1.00 61.41 C ATOM 314 C THR A 19 26.891 -27.761 -0.904 1.00 34.34 C ATOM 315 O THR A 19 26.271 -28.825 -0.855 1.00 41.25 O ATOM 316 CB THR A 19 28.446 -28.170 1.004 1.00 3.23 C ATOM 317 OG1 THR A 19 29.328 -28.711 0.015 1.00 65.31 O ATOM 318 CG2 THR A 19 27.667 -29.296 1.667 1.00 50.20 C ATOM 0 H THR A 19 26.564 -27.089 2.236 1.00 40.43 H new ATOM 0 HA THR A 19 28.053 -26.254 0.091 1.00 61.41 H new ATOM 0 HB THR A 19 29.029 -27.655 1.767 1.00 3.23 H new ATOM 0 HG1 THR A 19 29.933 -29.358 0.435 1.00 65.31 H new ATOM 0 HG21 THR A 19 28.363 -30.004 2.117 1.00 50.20 H new ATOM 0 HG22 THR A 19 27.019 -28.884 2.440 1.00 50.20 H new ATOM 0 HG23 THR A 19 27.061 -29.808 0.920 1.00 50.20 H new ATOM 326 N LEU A 20 27.078 -27.084 -2.031 1.00 71.31 N ATOM 327 CA LEU A 20 26.555 -27.562 -3.306 1.00 70.23 C ATOM 328 C LEU A 20 27.628 -27.510 -4.389 1.00 23.42 C ATOM 329 O LEU A 20 27.844 -28.483 -5.112 1.00 20.21 O ATOM 330 CB LEU A 20 25.346 -26.726 -3.730 1.00 44.30 C ATOM 331 CG LEU A 20 24.265 -27.462 -4.522 1.00 11.14 C ATOM 332 CD1 LEU A 20 24.853 -28.081 -5.780 1.00 53.02 C ATOM 333 CD2 LEU A 20 23.605 -28.528 -3.659 1.00 11.31 C ATOM 0 H LEU A 20 27.588 -26.202 -2.088 1.00 71.31 H new ATOM 0 HA LEU A 20 26.245 -28.599 -3.177 1.00 70.23 H new ATOM 0 HB2 LEU A 20 24.889 -26.305 -2.835 1.00 44.30 H new ATOM 0 HB3 LEU A 20 25.701 -25.889 -4.330 1.00 44.30 H new ATOM 0 HG LEU A 20 23.504 -26.740 -4.819 1.00 11.14 H new ATOM 0 HD11 LEU A 20 24.069 -28.601 -6.331 1.00 53.02 H new ATOM 0 HD12 LEU A 20 25.278 -27.297 -6.407 1.00 53.02 H new ATOM 0 HD13 LEU A 20 25.634 -28.790 -5.506 1.00 53.02 H new ATOM 0 HD21 LEU A 20 22.838 -29.042 -4.239 1.00 11.31 H new ATOM 0 HD22 LEU A 20 24.356 -29.247 -3.332 1.00 11.31 H new ATOM 0 HD23 LEU A 20 23.148 -28.059 -2.788 1.00 11.31 H new ATOM 345 N LYS A 21 28.301 -26.369 -4.494 1.00 32.22 N ATOM 346 CA LYS A 21 29.355 -26.190 -5.485 1.00 71.11 C ATOM 347 C LYS A 21 30.702 -26.649 -4.936 1.00 10.42 C ATOM 348 O LYS A 21 31.742 -26.435 -5.559 1.00 24.32 O ATOM 349 CB LYS A 21 29.439 -24.723 -5.911 1.00 53.41 C ATOM 350 CG LYS A 21 30.051 -24.523 -7.287 1.00 3.45 C ATOM 351 CD LYS A 21 29.777 -23.127 -7.822 1.00 20.15 C ATOM 352 CE LYS A 21 30.702 -22.782 -8.978 1.00 43.23 C ATOM 353 NZ LYS A 21 30.117 -21.738 -9.864 1.00 40.32 N ATOM 0 H LYS A 21 28.135 -25.554 -3.904 1.00 32.22 H new ATOM 0 HA LYS A 21 29.110 -26.801 -6.354 1.00 71.11 H new ATOM 0 HB2 LYS A 21 28.437 -24.293 -5.902 1.00 53.41 H new ATOM 0 HB3 LYS A 21 30.028 -24.173 -5.177 1.00 53.41 H new ATOM 0 HG2 LYS A 21 31.127 -24.689 -7.235 1.00 3.45 H new ATOM 0 HG3 LYS A 21 29.647 -25.264 -7.977 1.00 3.45 H new ATOM 0 HD2 LYS A 21 28.740 -23.060 -8.152 1.00 20.15 H new ATOM 0 HD3 LYS A 21 29.905 -22.398 -7.022 1.00 20.15 H new ATOM 0 HE2 LYS A 21 31.657 -22.432 -8.587 1.00 43.23 H new ATOM 0 HE3 LYS A 21 30.906 -23.680 -9.561 1.00 43.23 H new ATOM 0 HZ1 LYS A 21 30.778 -21.531 -10.640 1.00 40.32 H new ATOM 0 HZ2 LYS A 21 29.218 -22.081 -10.258 1.00 40.32 H new ATOM 0 HZ3 LYS A 21 29.946 -20.872 -9.314 1.00 40.32 H new ATOM 367 N TYR A 22 30.675 -27.280 -3.767 1.00 62.05 N ATOM 368 CA TYR A 22 31.895 -27.768 -3.134 1.00 54.13 C ATOM 369 C TYR A 22 32.367 -29.063 -3.788 1.00 4.11 C ATOM 370 O TYR A 22 33.420 -29.599 -3.441 1.00 44.44 O ATOM 371 CB TYR A 22 31.663 -27.993 -1.639 1.00 71.22 C ATOM 372 CG TYR A 22 32.865 -27.664 -0.784 1.00 24.23 C ATOM 373 CD1 TYR A 22 33.128 -26.356 -0.394 1.00 64.53 C ATOM 374 CD2 TYR A 22 33.739 -28.660 -0.366 1.00 21.32 C ATOM 375 CE1 TYR A 22 34.226 -26.051 0.387 1.00 42.23 C ATOM 376 CE2 TYR A 22 34.838 -28.364 0.416 1.00 25.15 C ATOM 377 CZ TYR A 22 35.078 -27.058 0.790 1.00 71.11 C ATOM 378 OH TYR A 22 36.173 -26.759 1.568 1.00 53.20 O ATOM 0 H TYR A 22 29.822 -27.465 -3.239 1.00 62.05 H new ATOM 0 HA TYR A 22 32.670 -27.013 -3.265 1.00 54.13 H new ATOM 0 HB2 TYR A 22 30.819 -27.384 -1.315 1.00 71.22 H new ATOM 0 HB3 TYR A 22 31.385 -29.034 -1.476 1.00 71.22 H new ATOM 0 HD1 TYR A 22 32.463 -25.565 -0.707 1.00 64.53 H new ATOM 0 HD2 TYR A 22 33.556 -29.684 -0.658 1.00 21.32 H new ATOM 0 HE1 TYR A 22 34.416 -25.029 0.681 1.00 42.23 H new ATOM 0 HE2 TYR A 22 35.506 -29.151 0.733 1.00 25.15 H new ATOM 0 HH TYR A 22 36.669 -27.581 1.765 1.00 53.20 H new ATOM 388 N PHE A 23 31.581 -29.560 -4.737 1.00 31.45 N ATOM 389 CA PHE A 23 31.917 -30.793 -5.440 1.00 3.21 C ATOM 390 C PHE A 23 33.092 -30.574 -6.388 1.00 63.25 C ATOM 391 O PHE A 23 33.859 -31.495 -6.667 1.00 4.14 O ATOM 392 CB PHE A 23 30.706 -31.306 -6.221 1.00 33.34 C ATOM 393 CG PHE A 23 30.454 -30.556 -7.497 1.00 75.44 C ATOM 394 CD1 PHE A 23 30.790 -31.112 -8.721 1.00 22.40 C ATOM 395 CD2 PHE A 23 29.880 -29.295 -7.474 1.00 22.22 C ATOM 396 CE1 PHE A 23 30.559 -30.425 -9.898 1.00 21.12 C ATOM 397 CE2 PHE A 23 29.646 -28.603 -8.647 1.00 64.52 C ATOM 398 CZ PHE A 23 29.987 -29.169 -9.861 1.00 4.54 C ATOM 0 H PHE A 23 30.707 -29.128 -5.037 1.00 31.45 H new ATOM 0 HA PHE A 23 32.204 -31.538 -4.699 1.00 3.21 H new ATOM 0 HB2 PHE A 23 30.853 -32.361 -6.452 1.00 33.34 H new ATOM 0 HB3 PHE A 23 29.821 -31.239 -5.589 1.00 33.34 H new ATOM 0 HD1 PHE A 23 31.238 -32.094 -8.756 1.00 22.40 H new ATOM 0 HD2 PHE A 23 29.612 -28.848 -6.528 1.00 22.22 H new ATOM 0 HE1 PHE A 23 30.826 -30.870 -10.845 1.00 21.12 H new ATOM 0 HE2 PHE A 23 29.197 -27.621 -8.615 1.00 64.52 H new ATOM 0 HZ PHE A 23 29.806 -28.630 -10.779 1.00 4.54 H new ATOM 408 N GLY A 24 33.226 -29.347 -6.883 1.00 30.11 N ATOM 409 CA GLY A 24 34.309 -29.029 -7.795 1.00 54.24 C ATOM 410 C GLY A 24 35.668 -29.394 -7.233 1.00 33.45 C ATOM 411 O GLY A 24 36.184 -28.715 -6.346 1.00 53.45 O ATOM 0 H GLY A 24 32.604 -28.568 -6.669 1.00 30.11 H new ATOM 0 HA2 GLY A 24 34.155 -29.558 -8.736 1.00 54.24 H new ATOM 0 HA3 GLY A 24 34.288 -27.963 -8.021 1.00 54.24 H new ATOM 415 N GLY A 25 36.249 -30.474 -7.747 1.00 41.23 N ATOM 416 CA GLY A 25 37.551 -30.911 -7.277 1.00 15.11 C ATOM 417 C GLY A 25 37.462 -32.123 -6.370 1.00 43.44 C ATOM 418 O GLY A 25 38.415 -32.895 -6.260 1.00 12.12 O ATOM 0 H GLY A 25 35.841 -31.054 -8.480 1.00 41.23 H new ATOM 0 HA2 GLY A 25 38.183 -31.147 -8.133 1.00 15.11 H new ATOM 0 HA3 GLY A 25 38.034 -30.094 -6.741 1.00 15.11 H new ATOM 422 N PHE A 26 36.317 -32.290 -5.718 1.00 54.42 N ATOM 423 CA PHE A 26 36.108 -33.415 -4.814 1.00 44.41 C ATOM 424 C PHE A 26 35.311 -34.521 -5.498 1.00 35.23 C ATOM 425 O PHE A 26 34.794 -34.339 -6.599 1.00 44.23 O ATOM 426 CB PHE A 26 35.381 -32.952 -3.550 1.00 21.52 C ATOM 427 CG PHE A 26 35.782 -33.710 -2.317 1.00 24.34 C ATOM 428 CD1 PHE A 26 37.110 -33.766 -1.923 1.00 34.02 C ATOM 429 CD2 PHE A 26 34.832 -34.367 -1.551 1.00 62.34 C ATOM 430 CE1 PHE A 26 37.482 -34.462 -0.788 1.00 62.23 C ATOM 431 CE2 PHE A 26 35.199 -35.065 -0.416 1.00 12.42 C ATOM 432 CZ PHE A 26 36.525 -35.113 -0.034 1.00 65.25 C ATOM 0 H PHE A 26 35.519 -31.660 -5.799 1.00 54.42 H new ATOM 0 HA PHE A 26 37.084 -33.814 -4.537 1.00 44.41 H new ATOM 0 HB2 PHE A 26 35.578 -31.891 -3.395 1.00 21.52 H new ATOM 0 HB3 PHE A 26 34.306 -33.058 -3.699 1.00 21.52 H new ATOM 0 HD1 PHE A 26 37.863 -33.260 -2.510 1.00 34.02 H new ATOM 0 HD2 PHE A 26 33.793 -34.333 -1.844 1.00 62.34 H new ATOM 0 HE1 PHE A 26 38.520 -34.497 -0.491 1.00 62.23 H new ATOM 0 HE2 PHE A 26 34.449 -35.573 0.172 1.00 12.42 H new ATOM 0 HZ PHE A 26 36.813 -35.658 0.852 1.00 65.25 H new ATOM 442 N ASN A 27 35.215 -35.669 -4.835 1.00 70.40 N ATOM 443 CA ASN A 27 34.481 -36.807 -5.378 1.00 43.34 C ATOM 444 C ASN A 27 34.951 -37.131 -6.793 1.00 71.23 C ATOM 445 O ASN A 27 34.155 -37.518 -7.650 1.00 23.14 O ATOM 446 CB ASN A 27 32.979 -36.517 -5.382 1.00 0.45 C ATOM 447 CG ASN A 27 32.537 -35.744 -4.154 1.00 11.30 C ATOM 448 OD1 ASN A 27 32.701 -36.205 -3.024 1.00 52.52 O ATOM 449 ND2 ASN A 27 31.972 -34.561 -4.371 1.00 64.41 N ATOM 0 H ASN A 27 35.636 -35.836 -3.921 1.00 70.40 H new ATOM 0 HA ASN A 27 34.676 -37.670 -4.742 1.00 43.34 H new ATOM 0 HB2 ASN A 27 32.724 -35.949 -6.277 1.00 0.45 H new ATOM 0 HB3 ASN A 27 32.430 -37.457 -5.433 1.00 0.45 H new ATOM 0 HD21 ASN A 27 31.654 -33.996 -3.584 1.00 64.41 H new ATOM 0 HD22 ASN A 27 31.856 -34.218 -5.325 1.00 64.41 H new ATOM 456 N PHE A 28 36.248 -36.971 -7.031 1.00 65.44 N ATOM 457 CA PHE A 28 36.825 -37.247 -8.342 1.00 52.23 C ATOM 458 C PHE A 28 37.033 -38.745 -8.541 1.00 24.33 C ATOM 459 O PHE A 28 37.040 -39.238 -9.669 1.00 5.02 O ATOM 460 CB PHE A 28 38.156 -36.510 -8.503 1.00 11.51 C ATOM 461 CG PHE A 28 39.216 -36.970 -7.543 1.00 14.40 C ATOM 462 CD1 PHE A 28 40.051 -38.027 -7.867 1.00 15.23 C ATOM 463 CD2 PHE A 28 39.376 -36.345 -6.317 1.00 24.14 C ATOM 464 CE1 PHE A 28 41.027 -38.452 -6.986 1.00 30.51 C ATOM 465 CE2 PHE A 28 40.351 -36.766 -5.432 1.00 2.00 C ATOM 466 CZ PHE A 28 41.177 -37.822 -5.766 1.00 53.34 C ATOM 0 H PHE A 28 36.920 -36.652 -6.333 1.00 65.44 H new ATOM 0 HA PHE A 28 36.127 -36.891 -9.100 1.00 52.23 H new ATOM 0 HB2 PHE A 28 38.517 -36.646 -9.523 1.00 11.51 H new ATOM 0 HB3 PHE A 28 37.990 -35.442 -8.364 1.00 11.51 H new ATOM 0 HD1 PHE A 28 39.938 -38.524 -8.819 1.00 15.23 H new ATOM 0 HD2 PHE A 28 38.732 -35.520 -6.050 1.00 24.14 H new ATOM 0 HE1 PHE A 28 41.672 -39.276 -7.251 1.00 30.51 H new ATOM 0 HE2 PHE A 28 40.467 -36.270 -4.480 1.00 2.00 H new ATOM 0 HZ PHE A 28 41.938 -38.154 -5.075 1.00 53.34 H new ATOM 476 N SER A 29 37.203 -39.464 -7.436 1.00 25.51 N ATOM 477 CA SER A 29 37.417 -40.906 -7.487 1.00 72.14 C ATOM 478 C SER A 29 36.087 -41.650 -7.568 1.00 10.53 C ATOM 479 O SER A 29 36.051 -42.880 -7.572 1.00 4.43 O ATOM 480 CB SER A 29 38.201 -41.371 -6.259 1.00 33.23 C ATOM 481 OG SER A 29 38.552 -42.740 -6.366 1.00 13.02 O ATOM 0 H SER A 29 37.197 -39.072 -6.494 1.00 25.51 H new ATOM 0 HA SER A 29 37.995 -41.131 -8.384 1.00 72.14 H new ATOM 0 HB2 SER A 29 39.103 -40.769 -6.150 1.00 33.23 H new ATOM 0 HB3 SER A 29 37.603 -41.215 -5.361 1.00 33.23 H new ATOM 0 HG SER A 29 37.819 -43.234 -6.790 1.00 13.02 H new ATOM 487 N GLN A 30 34.996 -40.893 -7.631 1.00 42.23 N ATOM 488 CA GLN A 30 33.664 -41.479 -7.711 1.00 34.53 C ATOM 489 C GLN A 30 33.509 -42.309 -8.981 1.00 52.12 C ATOM 490 O GLN A 30 32.716 -43.250 -9.027 1.00 12.23 O ATOM 491 CB GLN A 30 32.598 -40.383 -7.670 1.00 75.30 C ATOM 492 CG GLN A 30 32.488 -39.593 -8.964 1.00 75.21 C ATOM 493 CD GLN A 30 31.331 -40.051 -9.831 1.00 64.31 C ATOM 494 OE1 GLN A 30 31.368 -41.136 -10.412 1.00 71.40 O ATOM 495 NE2 GLN A 30 30.296 -39.225 -9.923 1.00 2.21 N ATOM 0 H GLN A 30 35.009 -39.873 -7.628 1.00 42.23 H new ATOM 0 HA GLN A 30 33.532 -42.136 -6.852 1.00 34.53 H new ATOM 0 HB2 GLN A 30 31.632 -40.836 -7.447 1.00 75.30 H new ATOM 0 HB3 GLN A 30 32.825 -39.697 -6.854 1.00 75.30 H new ATOM 0 HG2 GLN A 30 32.365 -38.535 -8.730 1.00 75.21 H new ATOM 0 HG3 GLN A 30 33.418 -39.690 -9.525 1.00 75.21 H new ATOM 0 HE21 GLN A 30 30.308 -38.335 -9.424 1.00 2.21 H new ATOM 0 HE22 GLN A 30 29.489 -39.480 -10.492 1.00 2.21 H new ATOM 504 N ILE A 31 34.270 -41.953 -10.010 1.00 65.53 N ATOM 505 CA ILE A 31 34.218 -42.666 -11.281 1.00 12.21 C ATOM 506 C ILE A 31 35.016 -43.963 -11.217 1.00 64.41 C ATOM 507 O ILE A 31 34.743 -44.910 -11.956 1.00 64.31 O ATOM 508 CB ILE A 31 34.758 -41.800 -12.434 1.00 72.04 C ATOM 509 CG1 ILE A 31 33.956 -40.501 -12.545 1.00 23.42 C ATOM 510 CG2 ILE A 31 34.708 -42.572 -13.744 1.00 64.33 C ATOM 511 CD1 ILE A 31 34.703 -39.286 -12.043 1.00 4.32 C ATOM 0 H ILE A 31 34.930 -41.175 -9.989 1.00 65.53 H new ATOM 0 HA ILE A 31 33.170 -42.897 -11.471 1.00 12.21 H new ATOM 0 HB ILE A 31 35.797 -41.547 -12.222 1.00 72.04 H new ATOM 0 HG12 ILE A 31 33.679 -40.342 -13.587 1.00 23.42 H new ATOM 0 HG13 ILE A 31 33.029 -40.606 -11.981 1.00 23.42 H new ATOM 0 HG21 ILE A 31 35.093 -41.947 -14.550 1.00 64.33 H new ATOM 0 HG22 ILE A 31 35.318 -43.472 -13.660 1.00 64.33 H new ATOM 0 HG23 ILE A 31 33.677 -42.852 -13.962 1.00 64.33 H new ATOM 0 HD11 ILE A 31 34.075 -38.402 -12.152 1.00 4.32 H new ATOM 0 HD12 ILE A 31 34.957 -39.424 -10.992 1.00 4.32 H new ATOM 0 HD13 ILE A 31 35.617 -39.155 -12.623 1.00 4.32 H new ATOM 523 N LEU A 32 36.003 -44.001 -10.328 1.00 70.24 N ATOM 524 CA LEU A 32 36.841 -45.184 -10.166 1.00 3.02 C ATOM 525 C LEU A 32 36.142 -46.233 -9.308 1.00 31.34 C ATOM 526 O LEU A 32 35.206 -45.939 -8.563 1.00 42.05 O ATOM 527 CB LEU A 32 38.180 -44.801 -9.533 1.00 63.21 C ATOM 528 CG LEU A 32 39.291 -44.399 -10.504 1.00 52.52 C ATOM 529 CD1 LEU A 32 39.244 -42.903 -10.779 1.00 35.52 C ATOM 530 CD2 LEU A 32 40.652 -44.799 -9.954 1.00 12.35 C ATOM 0 H LEU A 32 36.242 -43.227 -9.709 1.00 70.24 H new ATOM 0 HA LEU A 32 37.021 -45.610 -11.153 1.00 3.02 H new ATOM 0 HB2 LEU A 32 38.010 -43.974 -8.844 1.00 63.21 H new ATOM 0 HB3 LEU A 32 38.532 -45.644 -8.938 1.00 63.21 H new ATOM 0 HG LEU A 32 39.133 -44.926 -11.445 1.00 52.52 H new ATOM 0 HD11 LEU A 32 40.042 -42.635 -11.472 1.00 35.52 H new ATOM 0 HD12 LEU A 32 38.280 -42.644 -11.217 1.00 35.52 H new ATOM 0 HD13 LEU A 32 39.376 -42.357 -9.845 1.00 35.52 H new ATOM 0 HD21 LEU A 32 41.430 -44.505 -10.659 1.00 12.35 H new ATOM 0 HD22 LEU A 32 40.820 -44.300 -8.999 1.00 12.35 H new ATOM 0 HD23 LEU A 32 40.683 -45.879 -9.809 1.00 12.35 H new ATOM 542 N PRO A 33 36.606 -47.487 -9.410 1.00 63.44 N ATOM 543 CA PRO A 33 36.042 -48.606 -8.649 1.00 14.51 C ATOM 544 C PRO A 33 36.353 -48.508 -7.159 1.00 74.03 C ATOM 545 O PRO A 33 36.894 -47.506 -6.693 1.00 1.22 O ATOM 546 CB PRO A 33 36.726 -49.831 -9.259 1.00 33.51 C ATOM 547 CG PRO A 33 38.006 -49.313 -9.817 1.00 10.44 C ATOM 548 CD PRO A 33 37.719 -47.910 -10.278 1.00 33.45 C ATOM 0 HA PRO A 33 34.954 -48.634 -8.711 1.00 14.51 H new ATOM 0 HB2 PRO A 33 36.905 -50.600 -8.507 1.00 33.51 H new ATOM 0 HB3 PRO A 33 36.109 -50.282 -10.036 1.00 33.51 H new ATOM 0 HG2 PRO A 33 38.793 -49.323 -9.063 1.00 10.44 H new ATOM 0 HG3 PRO A 33 38.350 -49.933 -10.645 1.00 10.44 H new ATOM 0 HD2 PRO A 33 38.588 -47.263 -10.161 1.00 33.45 H new ATOM 0 HD3 PRO A 33 37.440 -47.882 -11.331 1.00 33.45 H new ATOM 556 N SER A 34 36.007 -49.555 -6.417 1.00 61.55 N ATOM 557 CA SER A 34 36.247 -49.586 -4.979 1.00 73.14 C ATOM 558 C SER A 34 35.747 -50.894 -4.373 1.00 52.21 C ATOM 559 O SER A 34 36.509 -51.675 -3.803 1.00 12.32 O ATOM 560 CB SER A 34 35.558 -48.400 -4.301 1.00 22.20 C ATOM 561 OG SER A 34 36.507 -47.536 -3.700 1.00 15.24 O ATOM 0 H SER A 34 35.559 -50.393 -6.788 1.00 61.55 H new ATOM 0 HA SER A 34 37.322 -49.517 -4.813 1.00 73.14 H new ATOM 0 HB2 SER A 34 34.972 -47.847 -5.035 1.00 22.20 H new ATOM 0 HB3 SER A 34 34.862 -48.763 -3.545 1.00 22.20 H new ATOM 0 HG SER A 34 37.088 -47.157 -4.392 1.00 15.24 H new ATOM 567 N PRO A 35 34.434 -51.139 -4.499 1.00 21.45 N ATOM 568 CA PRO A 35 33.802 -52.352 -3.970 1.00 54.22 C ATOM 569 C PRO A 35 34.209 -53.602 -4.743 1.00 0.25 C ATOM 570 O PRO A 35 34.918 -53.520 -5.746 1.00 64.32 O ATOM 571 CB PRO A 35 32.306 -52.078 -4.147 1.00 41.52 C ATOM 572 CG PRO A 35 32.230 -51.102 -5.271 1.00 22.40 C ATOM 573 CD PRO A 35 33.466 -50.253 -5.166 1.00 44.22 C ATOM 0 HA PRO A 35 34.095 -52.548 -2.938 1.00 54.22 H new ATOM 0 HB2 PRO A 35 31.761 -52.993 -4.379 1.00 41.52 H new ATOM 0 HB3 PRO A 35 31.868 -51.668 -3.237 1.00 41.52 H new ATOM 0 HG2 PRO A 35 32.190 -51.615 -6.232 1.00 22.40 H new ATOM 0 HG3 PRO A 35 31.330 -50.492 -5.198 1.00 22.40 H new ATOM 0 HD2 PRO A 35 33.821 -49.937 -6.147 1.00 44.22 H new ATOM 0 HD3 PRO A 35 33.284 -49.348 -4.586 1.00 44.22 H new ATOM 581 N LEU A 36 33.756 -54.758 -4.269 1.00 42.44 N ATOM 582 CA LEU A 36 34.073 -56.026 -4.916 1.00 64.14 C ATOM 583 C LEU A 36 32.813 -56.688 -5.464 1.00 30.22 C ATOM 584 O LEU A 36 31.709 -56.164 -5.316 1.00 72.11 O ATOM 585 CB LEU A 36 34.769 -56.965 -3.929 1.00 13.10 C ATOM 586 CG LEU A 36 34.237 -56.945 -2.496 1.00 35.33 C ATOM 587 CD1 LEU A 36 32.829 -57.518 -2.441 1.00 53.11 C ATOM 588 CD2 LEU A 36 35.165 -57.719 -1.571 1.00 62.13 C ATOM 0 H LEU A 36 33.168 -54.843 -3.440 1.00 42.44 H new ATOM 0 HA LEU A 36 34.745 -55.822 -5.749 1.00 64.14 H new ATOM 0 HB2 LEU A 36 34.691 -57.983 -4.310 1.00 13.10 H new ATOM 0 HB3 LEU A 36 35.829 -56.714 -3.905 1.00 13.10 H new ATOM 0 HG LEU A 36 34.200 -55.909 -2.158 1.00 35.33 H new ATOM 0 HD11 LEU A 36 32.467 -57.496 -1.413 1.00 53.11 H new ATOM 0 HD12 LEU A 36 32.169 -56.922 -3.071 1.00 53.11 H new ATOM 0 HD13 LEU A 36 32.841 -58.547 -2.799 1.00 53.11 H new ATOM 0 HD21 LEU A 36 34.770 -57.694 -0.555 1.00 62.13 H new ATOM 0 HD22 LEU A 36 35.235 -58.753 -1.908 1.00 62.13 H new ATOM 0 HD23 LEU A 36 36.156 -57.265 -1.586 1.00 62.13 H new ATOM 600 N LYS A 37 32.985 -57.845 -6.095 1.00 10.21 N ATOM 601 CA LYS A 37 31.862 -58.582 -6.662 1.00 10.02 C ATOM 602 C LYS A 37 32.298 -59.970 -7.121 1.00 1.34 C ATOM 603 O LYS A 37 32.418 -60.246 -8.314 1.00 42.04 O ATOM 604 CB LYS A 37 31.260 -57.810 -7.838 1.00 43.02 C ATOM 605 CG LYS A 37 29.829 -58.205 -8.157 1.00 32.51 C ATOM 606 CD LYS A 37 29.399 -57.692 -9.521 1.00 30.21 C ATOM 607 CE LYS A 37 29.989 -58.532 -10.644 1.00 12.23 C ATOM 608 NZ LYS A 37 29.296 -59.843 -10.779 1.00 11.04 N ATOM 0 H LYS A 37 33.892 -58.293 -6.227 1.00 10.21 H new ATOM 0 HA LYS A 37 31.106 -58.696 -5.885 1.00 10.02 H new ATOM 0 HB2 LYS A 37 31.293 -56.743 -7.616 1.00 43.02 H new ATOM 0 HB3 LYS A 37 31.878 -57.971 -8.721 1.00 43.02 H new ATOM 0 HG2 LYS A 37 29.736 -59.291 -8.130 1.00 32.51 H new ATOM 0 HG3 LYS A 37 29.162 -57.809 -7.391 1.00 32.51 H new ATOM 0 HD2 LYS A 37 28.311 -57.704 -9.589 1.00 30.21 H new ATOM 0 HD3 LYS A 37 29.714 -56.655 -9.637 1.00 30.21 H new ATOM 0 HE2 LYS A 37 29.916 -57.984 -11.584 1.00 12.23 H new ATOM 0 HE3 LYS A 37 31.049 -58.700 -10.454 1.00 12.23 H new ATOM 0 HZ1 LYS A 37 29.633 -60.327 -11.635 1.00 11.04 H new ATOM 0 HZ2 LYS A 37 29.500 -60.431 -9.946 1.00 11.04 H new ATOM 0 HZ3 LYS A 37 28.270 -59.688 -10.851 1.00 11.04 H new ATOM 622 N PRO A 38 32.540 -60.865 -6.152 1.00 20.42 N ATOM 623 CA PRO A 38 32.964 -62.240 -6.433 1.00 25.13 C ATOM 624 C PRO A 38 31.852 -63.073 -7.061 1.00 24.34 C ATOM 625 O PRO A 38 30.791 -63.262 -6.465 1.00 50.50 O ATOM 626 CB PRO A 38 33.328 -62.788 -5.051 1.00 23.43 C ATOM 627 CG PRO A 38 32.524 -61.975 -4.097 1.00 13.14 C ATOM 628 CD PRO A 38 32.417 -60.605 -4.708 1.00 22.13 C ATOM 0 HA PRO A 38 33.784 -62.275 -7.150 1.00 25.13 H new ATOM 0 HB2 PRO A 38 33.086 -63.848 -4.969 1.00 23.43 H new ATOM 0 HB3 PRO A 38 34.395 -62.688 -4.854 1.00 23.43 H new ATOM 0 HG2 PRO A 38 31.537 -62.413 -3.946 1.00 13.14 H new ATOM 0 HG3 PRO A 38 33.006 -61.930 -3.120 1.00 13.14 H new ATOM 0 HD2 PRO A 38 31.467 -60.130 -4.465 1.00 22.13 H new ATOM 0 HD3 PRO A 38 33.205 -59.943 -4.350 1.00 22.13 H new ATOM 636 N THR A 39 32.102 -63.572 -8.268 1.00 11.24 N ATOM 637 CA THR A 39 31.122 -64.384 -8.976 1.00 74.54 C ATOM 638 C THR A 39 31.179 -65.838 -8.519 1.00 55.45 C ATOM 639 O THR A 39 30.175 -66.551 -8.555 1.00 44.44 O ATOM 640 CB THR A 39 31.342 -64.328 -10.500 1.00 35.30 C ATOM 641 OG1 THR A 39 30.295 -65.038 -11.173 1.00 1.45 O ATOM 642 CG2 THR A 39 32.689 -64.927 -10.875 1.00 11.13 C ATOM 0 H THR A 39 32.975 -63.427 -8.775 1.00 11.24 H new ATOM 0 HA THR A 39 30.141 -63.971 -8.742 1.00 74.54 H new ATOM 0 HB THR A 39 31.328 -63.283 -10.808 1.00 35.30 H new ATOM 0 HG1 THR A 39 30.441 -64.996 -12.141 1.00 1.45 H new ATOM 0 HG21 THR A 39 32.822 -64.876 -11.956 1.00 11.13 H new ATOM 0 HG22 THR A 39 33.485 -64.367 -10.385 1.00 11.13 H new ATOM 0 HG23 THR A 39 32.727 -65.968 -10.553 1.00 11.13 H new ATOM 650 N LYS A 40 32.358 -66.272 -8.089 1.00 42.20 N ATOM 651 CA LYS A 40 32.547 -67.640 -7.622 1.00 74.34 C ATOM 652 C LYS A 40 31.527 -67.993 -6.544 1.00 10.40 C ATOM 653 O LYS A 40 31.087 -69.138 -6.443 1.00 61.00 O ATOM 654 CB LYS A 40 33.965 -67.825 -7.078 1.00 11.30 C ATOM 655 CG LYS A 40 34.206 -67.116 -5.756 1.00 41.14 C ATOM 656 CD LYS A 40 35.689 -67.004 -5.446 1.00 63.40 C ATOM 657 CE LYS A 40 36.281 -68.352 -5.061 1.00 11.45 C ATOM 658 NZ LYS A 40 37.661 -68.217 -4.519 1.00 4.31 N ATOM 0 H LYS A 40 33.199 -65.695 -8.054 1.00 42.20 H new ATOM 0 HA LYS A 40 32.400 -68.310 -8.470 1.00 74.34 H new ATOM 0 HB2 LYS A 40 34.160 -68.890 -6.951 1.00 11.30 H new ATOM 0 HB3 LYS A 40 34.679 -67.456 -7.814 1.00 11.30 H new ATOM 0 HG2 LYS A 40 33.764 -66.120 -5.790 1.00 41.14 H new ATOM 0 HG3 LYS A 40 33.706 -67.659 -4.954 1.00 41.14 H new ATOM 0 HD2 LYS A 40 36.215 -66.609 -6.315 1.00 63.40 H new ATOM 0 HD3 LYS A 40 35.839 -66.294 -4.633 1.00 63.40 H new ATOM 0 HE2 LYS A 40 35.644 -68.829 -4.317 1.00 11.45 H new ATOM 0 HE3 LYS A 40 36.296 -69.005 -5.934 1.00 11.45 H new ATOM 0 HZ1 LYS A 40 38.029 -69.157 -4.269 1.00 4.31 H new ATOM 0 HZ2 LYS A 40 38.276 -67.785 -5.238 1.00 4.31 H new ATOM 0 HZ3 LYS A 40 37.644 -67.615 -3.671 1.00 4.31 H new ATOM 672 N ARG A 41 31.155 -67.001 -5.741 1.00 54.14 N ATOM 673 CA ARG A 41 30.186 -67.207 -4.671 1.00 5.20 C ATOM 674 C ARG A 41 28.803 -67.510 -5.240 1.00 4.23 C ATOM 675 O ARG A 41 28.034 -68.273 -4.655 1.00 43.31 O ATOM 676 CB ARG A 41 30.120 -65.972 -3.770 1.00 70.22 C ATOM 677 CG ARG A 41 31.277 -65.871 -2.790 1.00 12.34 C ATOM 678 CD ARG A 41 30.811 -65.381 -1.427 1.00 41.24 C ATOM 679 NE ARG A 41 30.412 -63.976 -1.458 1.00 31.42 N ATOM 680 CZ ARG A 41 30.015 -63.302 -0.385 1.00 11.34 C ATOM 681 NH1 ARG A 41 29.965 -63.900 0.798 1.00 52.05 N ATOM 682 NH2 ARG A 41 29.667 -62.026 -0.493 1.00 4.34 N ATOM 0 H ARG A 41 31.510 -66.047 -5.811 1.00 54.14 H new ATOM 0 HA ARG A 41 30.511 -68.063 -4.080 1.00 5.20 H new ATOM 0 HB2 ARG A 41 30.104 -65.078 -4.394 1.00 70.22 H new ATOM 0 HB3 ARG A 41 29.183 -65.989 -3.213 1.00 70.22 H new ATOM 0 HG2 ARG A 41 31.752 -66.846 -2.684 1.00 12.34 H new ATOM 0 HG3 ARG A 41 32.031 -65.190 -3.184 1.00 12.34 H new ATOM 0 HD2 ARG A 41 29.971 -65.989 -1.091 1.00 41.24 H new ATOM 0 HD3 ARG A 41 31.612 -65.514 -0.700 1.00 41.24 H new ATOM 0 HE ARG A 41 30.440 -63.486 -2.352 1.00 31.42 H new ATOM 0 HH11 ARG A 41 30.232 -64.881 0.885 1.00 52.05 H new ATOM 0 HH12 ARG A 41 29.660 -63.379 1.620 1.00 52.05 H new ATOM 0 HH21 ARG A 41 29.704 -61.562 -1.401 1.00 4.34 H new ATOM 0 HH22 ARG A 41 29.362 -61.509 0.332 1.00 4.34 H new ATOM 696 N SER A 42 28.494 -66.906 -6.383 1.00 61.50 N ATOM 697 CA SER A 42 27.202 -67.108 -7.029 1.00 23.13 C ATOM 698 C SER A 42 26.991 -68.579 -7.374 1.00 23.20 C ATOM 699 O SER A 42 27.703 -69.142 -8.206 1.00 51.34 O ATOM 700 CB SER A 42 27.103 -66.256 -8.295 1.00 51.14 C ATOM 701 OG SER A 42 25.790 -66.285 -8.828 1.00 10.12 O ATOM 0 H SER A 42 29.120 -66.273 -6.881 1.00 61.50 H new ATOM 0 HA SER A 42 26.423 -66.801 -6.331 1.00 23.13 H new ATOM 0 HB2 SER A 42 27.384 -65.228 -8.068 1.00 51.14 H new ATOM 0 HB3 SER A 42 27.809 -66.622 -9.040 1.00 51.14 H new ATOM 0 HG SER A 42 25.753 -65.731 -9.636 1.00 10.12 H new ATOM 707 N PHE A 43 26.008 -69.197 -6.728 1.00 11.21 N ATOM 708 CA PHE A 43 25.702 -70.603 -6.965 1.00 4.14 C ATOM 709 C PHE A 43 25.045 -70.795 -8.328 1.00 43.44 C ATOM 710 O PHE A 43 25.160 -71.857 -8.940 1.00 51.14 O ATOM 711 CB PHE A 43 24.785 -71.140 -5.864 1.00 50.20 C ATOM 712 CG PHE A 43 23.466 -70.426 -5.782 1.00 1.33 C ATOM 713 CD1 PHE A 43 22.399 -70.819 -6.573 1.00 64.53 C ATOM 714 CD2 PHE A 43 23.293 -69.360 -4.913 1.00 24.21 C ATOM 715 CE1 PHE A 43 21.184 -70.165 -6.500 1.00 3.22 C ATOM 716 CE2 PHE A 43 22.081 -68.702 -4.835 1.00 34.03 C ATOM 717 CZ PHE A 43 21.025 -69.104 -5.630 1.00 2.01 C ATOM 0 H PHE A 43 25.409 -68.746 -6.036 1.00 11.21 H new ATOM 0 HA PHE A 43 26.639 -71.160 -6.952 1.00 4.14 H new ATOM 0 HB2 PHE A 43 24.605 -72.201 -6.038 1.00 50.20 H new ATOM 0 HB3 PHE A 43 25.295 -71.056 -4.904 1.00 50.20 H new ATOM 0 HD1 PHE A 43 22.518 -71.647 -7.256 1.00 64.53 H new ATOM 0 HD2 PHE A 43 24.115 -69.040 -4.290 1.00 24.21 H new ATOM 0 HE1 PHE A 43 20.360 -70.483 -7.122 1.00 3.22 H new ATOM 0 HE2 PHE A 43 21.959 -67.874 -4.153 1.00 34.03 H new ATOM 0 HZ PHE A 43 20.077 -68.590 -5.571 1.00 2.01 H new ATOM 727 N ILE A 44 24.357 -69.759 -8.797 1.00 71.44 N ATOM 728 CA ILE A 44 23.682 -69.813 -10.088 1.00 61.23 C ATOM 729 C ILE A 44 24.647 -70.223 -11.196 1.00 55.22 C ATOM 730 O ILE A 44 24.252 -70.864 -12.170 1.00 1.24 O ATOM 731 CB ILE A 44 23.049 -68.456 -10.450 1.00 22.44 C ATOM 732 CG1 ILE A 44 22.050 -68.032 -9.371 1.00 51.25 C ATOM 733 CG2 ILE A 44 22.369 -68.534 -11.808 1.00 65.14 C ATOM 734 CD1 ILE A 44 21.404 -66.691 -9.641 1.00 11.22 C ATOM 0 H ILE A 44 24.252 -68.873 -8.303 1.00 71.44 H new ATOM 0 HA ILE A 44 22.894 -70.561 -10.001 1.00 61.23 H new ATOM 0 HB ILE A 44 23.838 -67.706 -10.504 1.00 22.44 H new ATOM 0 HG12 ILE A 44 21.272 -68.791 -9.289 1.00 51.25 H new ATOM 0 HG13 ILE A 44 22.561 -67.993 -8.409 1.00 51.25 H new ATOM 0 HG21 ILE A 44 21.927 -67.568 -12.049 1.00 65.14 H new ATOM 0 HG22 ILE A 44 23.104 -68.797 -12.569 1.00 65.14 H new ATOM 0 HG23 ILE A 44 21.588 -69.294 -11.781 1.00 65.14 H new ATOM 0 HD11 ILE A 44 20.708 -66.454 -8.836 1.00 11.22 H new ATOM 0 HD12 ILE A 44 22.173 -65.921 -9.694 1.00 11.22 H new ATOM 0 HD13 ILE A 44 20.865 -66.731 -10.587 1.00 11.22 H new ATOM 746 N GLU A 45 25.913 -69.849 -11.039 1.00 74.22 N ATOM 747 CA GLU A 45 26.934 -70.179 -12.027 1.00 33.14 C ATOM 748 C GLU A 45 26.966 -71.681 -12.295 1.00 10.01 C ATOM 749 O GLU A 45 27.204 -72.116 -13.422 1.00 25.14 O ATOM 750 CB GLU A 45 28.308 -69.706 -11.549 1.00 42.53 C ATOM 751 CG GLU A 45 29.443 -70.091 -12.484 1.00 12.53 C ATOM 752 CD GLU A 45 30.652 -69.188 -12.335 1.00 65.32 C ATOM 753 OE1 GLU A 45 30.900 -68.710 -11.208 1.00 43.04 O ATOM 754 OE2 GLU A 45 31.351 -68.960 -13.345 1.00 32.21 O ATOM 0 H GLU A 45 26.256 -69.318 -10.238 1.00 74.22 H new ATOM 0 HA GLU A 45 26.684 -69.667 -12.956 1.00 33.14 H new ATOM 0 HB2 GLU A 45 28.292 -68.622 -11.438 1.00 42.53 H new ATOM 0 HB3 GLU A 45 28.504 -70.124 -10.562 1.00 42.53 H new ATOM 0 HG2 GLU A 45 29.737 -71.122 -12.287 1.00 12.53 H new ATOM 0 HG3 GLU A 45 29.089 -70.052 -13.514 1.00 12.53 H new ATOM 761 N ASP A 46 26.725 -72.467 -11.252 1.00 30.42 N ATOM 762 CA ASP A 46 26.726 -73.921 -11.374 1.00 13.34 C ATOM 763 C ASP A 46 25.405 -74.418 -11.953 1.00 61.00 C ATOM 764 O ASP A 46 25.348 -75.480 -12.574 1.00 21.41 O ATOM 765 CB ASP A 46 26.975 -74.568 -10.010 1.00 52.14 C ATOM 766 CG ASP A 46 27.331 -76.037 -10.124 1.00 21.15 C ATOM 767 OD1 ASP A 46 28.530 -76.368 -10.005 1.00 33.23 O ATOM 768 OD2 ASP A 46 26.412 -76.856 -10.330 1.00 75.00 O ATOM 0 H ASP A 46 26.526 -72.123 -10.313 1.00 30.42 H new ATOM 0 HA ASP A 46 27.530 -74.204 -12.054 1.00 13.34 H new ATOM 0 HB2 ASP A 46 27.782 -74.040 -9.502 1.00 52.14 H new ATOM 0 HB3 ASP A 46 26.084 -74.460 -9.391 1.00 52.14 H new ATOM 773 N LEU A 47 24.345 -73.645 -11.745 1.00 43.54 N ATOM 774 CA LEU A 47 23.024 -74.007 -12.246 1.00 52.42 C ATOM 775 C LEU A 47 22.959 -73.866 -13.764 1.00 1.53 C ATOM 776 O LEU A 47 22.167 -74.536 -14.427 1.00 61.21 O ATOM 777 CB LEU A 47 21.952 -73.131 -11.595 1.00 42.40 C ATOM 778 CG LEU A 47 21.140 -73.784 -10.476 1.00 3.41 C ATOM 779 CD1 LEU A 47 21.822 -73.579 -9.132 1.00 44.41 C ATOM 780 CD2 LEU A 47 19.725 -73.225 -10.448 1.00 71.53 C ATOM 0 H LEU A 47 24.375 -72.763 -11.233 1.00 43.54 H new ATOM 0 HA LEU A 47 22.839 -75.050 -11.988 1.00 52.42 H new ATOM 0 HB2 LEU A 47 22.434 -72.239 -11.194 1.00 42.40 H new ATOM 0 HB3 LEU A 47 21.262 -72.799 -12.371 1.00 42.40 H new ATOM 0 HG LEU A 47 21.083 -74.855 -10.672 1.00 3.41 H new ATOM 0 HD11 LEU A 47 21.230 -74.050 -8.348 1.00 44.41 H new ATOM 0 HD12 LEU A 47 22.815 -74.027 -9.156 1.00 44.41 H new ATOM 0 HD13 LEU A 47 21.911 -72.512 -8.928 1.00 44.41 H new ATOM 0 HD21 LEU A 47 19.162 -73.701 -9.646 1.00 71.53 H new ATOM 0 HD22 LEU A 47 19.762 -72.149 -10.277 1.00 71.53 H new ATOM 0 HD23 LEU A 47 19.236 -73.424 -11.402 1.00 71.53 H new ATOM 792 N LEU A 48 23.798 -72.991 -14.307 1.00 62.05 N ATOM 793 CA LEU A 48 23.839 -72.763 -15.748 1.00 35.21 C ATOM 794 C LEU A 48 24.091 -74.067 -16.499 1.00 15.15 C ATOM 795 O LEU A 48 23.716 -74.208 -17.663 1.00 13.52 O ATOM 796 CB LEU A 48 24.926 -71.744 -16.093 1.00 22.43 C ATOM 797 CG LEU A 48 24.839 -71.114 -17.483 1.00 60.21 C ATOM 798 CD1 LEU A 48 23.527 -70.362 -17.647 1.00 63.52 C ATOM 799 CD2 LEU A 48 26.021 -70.186 -17.723 1.00 61.53 C ATOM 0 H LEU A 48 24.459 -72.428 -13.772 1.00 62.05 H new ATOM 0 HA LEU A 48 22.870 -72.369 -16.056 1.00 35.21 H new ATOM 0 HB2 LEU A 48 24.896 -70.945 -15.352 1.00 22.43 H new ATOM 0 HB3 LEU A 48 25.896 -72.231 -15.997 1.00 22.43 H new ATOM 0 HG LEU A 48 24.872 -71.912 -18.225 1.00 60.21 H new ATOM 0 HD11 LEU A 48 23.483 -69.920 -18.642 1.00 63.52 H new ATOM 0 HD12 LEU A 48 22.693 -71.053 -17.519 1.00 63.52 H new ATOM 0 HD13 LEU A 48 23.463 -69.574 -16.897 1.00 63.52 H new ATOM 0 HD21 LEU A 48 25.942 -69.746 -18.717 1.00 61.53 H new ATOM 0 HD22 LEU A 48 26.019 -69.393 -16.975 1.00 61.53 H new ATOM 0 HD23 LEU A 48 26.949 -70.753 -17.649 1.00 61.53 H new ATOM 811 N PHE A 49 24.726 -75.019 -15.823 1.00 40.05 N ATOM 812 CA PHE A 49 25.027 -76.312 -16.426 1.00 60.40 C ATOM 813 C PHE A 49 23.758 -76.974 -16.956 1.00 2.01 C ATOM 814 O PHE A 49 23.808 -77.786 -17.879 1.00 50.40 O ATOM 815 CB PHE A 49 25.706 -77.229 -15.406 1.00 14.33 C ATOM 816 CG PHE A 49 27.205 -77.135 -15.419 1.00 54.14 C ATOM 817 CD1 PHE A 49 27.955 -77.953 -16.248 1.00 45.44 C ATOM 818 CD2 PHE A 49 27.863 -76.229 -14.603 1.00 32.51 C ATOM 819 CE1 PHE A 49 29.335 -77.869 -16.264 1.00 1.31 C ATOM 820 CE2 PHE A 49 29.242 -76.141 -14.614 1.00 51.23 C ATOM 821 CZ PHE A 49 29.979 -76.962 -15.445 1.00 20.22 C ATOM 0 H PHE A 49 25.042 -74.919 -14.858 1.00 40.05 H new ATOM 0 HA PHE A 49 25.705 -76.145 -17.263 1.00 60.40 H new ATOM 0 HB2 PHE A 49 25.343 -76.981 -14.409 1.00 14.33 H new ATOM 0 HB3 PHE A 49 25.413 -78.260 -15.605 1.00 14.33 H new ATOM 0 HD1 PHE A 49 27.456 -78.665 -16.889 1.00 45.44 H new ATOM 0 HD2 PHE A 49 27.292 -75.585 -13.951 1.00 32.51 H new ATOM 0 HE1 PHE A 49 29.908 -78.511 -16.916 1.00 1.31 H new ATOM 0 HE2 PHE A 49 29.743 -75.431 -13.973 1.00 51.23 H new ATOM 0 HZ PHE A 49 31.057 -76.895 -15.454 1.00 20.22 H new ATOM 831 N ASN A 50 22.622 -76.621 -16.364 1.00 1.44 N ATOM 832 CA ASN A 50 21.340 -77.180 -16.774 1.00 74.45 C ATOM 833 C ASN A 50 21.134 -77.024 -18.278 1.00 43.41 C ATOM 834 O ASN A 50 20.458 -77.834 -18.912 1.00 23.32 O ATOM 835 CB ASN A 50 20.197 -76.500 -16.019 1.00 12.44 C ATOM 836 CG ASN A 50 19.780 -75.189 -16.658 1.00 64.23 C ATOM 837 OD1 ASN A 50 18.632 -75.024 -17.071 1.00 63.43 O ATOM 838 ND2 ASN A 50 20.715 -74.249 -16.743 1.00 74.32 N ATOM 0 H ASN A 50 22.564 -75.950 -15.598 1.00 1.44 H new ATOM 0 HA ASN A 50 21.343 -78.243 -16.533 1.00 74.45 H new ATOM 0 HB2 ASN A 50 19.339 -77.172 -15.982 1.00 12.44 H new ATOM 0 HB3 ASN A 50 20.504 -76.318 -14.989 1.00 12.44 H new ATOM 0 HD21 ASN A 50 20.494 -73.347 -17.164 1.00 74.32 H new ATOM 0 HD22 ASN A 50 21.654 -74.430 -16.387 1.00 74.32 H new ATOM 845 N LYS A 51 21.723 -75.975 -18.844 1.00 30.31 N ATOM 846 CA LYS A 51 21.607 -75.712 -20.273 1.00 45.52 C ATOM 847 C LYS A 51 22.804 -76.279 -21.030 1.00 23.03 C ATOM 848 O LYS A 51 23.255 -75.703 -22.020 1.00 25.12 O ATOM 849 CB LYS A 51 21.497 -74.206 -20.528 1.00 32.53 C ATOM 850 CG LYS A 51 20.395 -73.834 -21.504 1.00 72.13 C ATOM 851 CD LYS A 51 19.135 -73.391 -20.780 1.00 55.24 C ATOM 852 CE LYS A 51 18.291 -72.466 -21.645 1.00 21.30 C ATOM 853 NZ LYS A 51 16.849 -72.526 -21.278 1.00 2.22 N ATOM 0 H LYS A 51 22.285 -75.294 -18.334 1.00 30.31 H new ATOM 0 HA LYS A 51 20.704 -76.204 -20.635 1.00 45.52 H new ATOM 0 HB2 LYS A 51 21.319 -73.698 -19.580 1.00 32.53 H new ATOM 0 HB3 LYS A 51 22.449 -73.840 -20.912 1.00 32.53 H new ATOM 0 HG2 LYS A 51 20.741 -73.033 -22.157 1.00 72.13 H new ATOM 0 HG3 LYS A 51 20.168 -74.689 -22.141 1.00 72.13 H new ATOM 0 HD2 LYS A 51 18.548 -74.266 -20.501 1.00 55.24 H new ATOM 0 HD3 LYS A 51 19.406 -72.880 -19.856 1.00 55.24 H new ATOM 0 HE2 LYS A 51 18.650 -71.442 -21.540 1.00 21.30 H new ATOM 0 HE3 LYS A 51 18.411 -72.740 -22.693 1.00 21.30 H new ATOM 0 HZ1 LYS A 51 16.308 -71.882 -21.890 1.00 2.22 H new ATOM 0 HZ2 LYS A 51 16.499 -73.497 -21.403 1.00 2.22 H new ATOM 0 HZ3 LYS A 51 16.731 -72.240 -20.285 1.00 2.22 H new ATOM 867 N VAL A 52 23.314 -77.413 -20.558 1.00 14.42 N ATOM 868 CA VAL A 52 24.456 -78.059 -21.191 1.00 64.34 C ATOM 869 C VAL A 52 24.010 -78.983 -22.319 1.00 53.33 C ATOM 870 O VAL A 52 24.753 -79.225 -23.271 1.00 3.23 O ATOM 871 CB VAL A 52 25.278 -78.872 -20.173 1.00 14.35 C ATOM 872 CG1 VAL A 52 24.461 -80.037 -19.635 1.00 55.34 C ATOM 873 CG2 VAL A 52 26.572 -79.363 -20.803 1.00 31.22 C ATOM 0 H VAL A 52 22.953 -77.902 -19.739 1.00 14.42 H new ATOM 0 HA VAL A 52 25.080 -77.265 -21.600 1.00 64.34 H new ATOM 0 HB VAL A 52 25.533 -78.221 -19.336 1.00 14.35 H new ATOM 0 HG11 VAL A 52 25.058 -80.600 -18.917 1.00 55.34 H new ATOM 0 HG12 VAL A 52 23.566 -79.657 -19.143 1.00 55.34 H new ATOM 0 HG13 VAL A 52 24.173 -80.690 -20.459 1.00 55.34 H new ATOM 0 HG21 VAL A 52 27.140 -79.935 -20.069 1.00 31.22 H new ATOM 0 HG22 VAL A 52 26.342 -79.997 -21.659 1.00 31.22 H new ATOM 0 HG23 VAL A 52 27.163 -78.509 -21.133 1.00 31.22 H new ATOM 883 N THR A 53 22.789 -79.497 -22.207 1.00 53.35 N ATOM 884 CA THR A 53 22.242 -80.394 -23.217 1.00 70.41 C ATOM 885 C THR A 53 22.256 -79.745 -24.596 1.00 50.40 C ATOM 886 O THR A 53 22.286 -80.432 -25.617 1.00 61.45 O ATOM 887 CB THR A 53 20.800 -80.814 -22.874 1.00 50.33 C ATOM 888 OG1 THR A 53 20.767 -81.454 -21.594 1.00 2.43 O ATOM 889 CG2 THR A 53 20.244 -81.756 -23.932 1.00 4.41 C ATOM 0 H THR A 53 22.160 -79.307 -21.427 1.00 53.35 H new ATOM 0 HA THR A 53 22.877 -81.280 -23.230 1.00 70.41 H new ATOM 0 HB THR A 53 20.181 -79.917 -22.847 1.00 50.33 H new ATOM 0 HG1 THR A 53 19.847 -81.716 -21.383 1.00 2.43 H new ATOM 0 HG21 THR A 53 19.225 -82.039 -23.668 1.00 4.41 H new ATOM 0 HG22 THR A 53 20.242 -81.255 -24.900 1.00 4.41 H new ATOM 0 HG23 THR A 53 20.866 -82.650 -23.987 1.00 4.41 H new ATOM 897 N LEU A 54 22.235 -78.417 -24.619 1.00 54.42 N ATOM 898 CA LEU A 54 22.246 -77.673 -25.874 1.00 73.03 C ATOM 899 C LEU A 54 23.400 -78.123 -26.764 1.00 20.42 C ATOM 900 O LEU A 54 23.308 -78.073 -27.990 1.00 31.41 O ATOM 901 CB LEU A 54 22.354 -76.172 -25.600 1.00 31.13 C ATOM 902 CG LEU A 54 22.411 -75.267 -26.831 1.00 15.12 C ATOM 903 CD1 LEU A 54 21.231 -75.542 -27.750 1.00 52.12 C ATOM 904 CD2 LEU A 54 22.436 -73.803 -26.416 1.00 32.13 C ATOM 0 H LEU A 54 22.210 -77.833 -23.783 1.00 54.42 H new ATOM 0 HA LEU A 54 21.310 -77.874 -26.395 1.00 73.03 H new ATOM 0 HB2 LEU A 54 21.500 -75.872 -24.992 1.00 31.13 H new ATOM 0 HB3 LEU A 54 23.248 -75.996 -25.002 1.00 31.13 H new ATOM 0 HG LEU A 54 23.329 -75.485 -27.377 1.00 15.12 H new ATOM 0 HD11 LEU A 54 21.288 -74.889 -28.621 1.00 52.12 H new ATOM 0 HD12 LEU A 54 21.257 -76.582 -28.074 1.00 52.12 H new ATOM 0 HD13 LEU A 54 20.301 -75.352 -27.214 1.00 52.12 H new ATOM 0 HD21 LEU A 54 22.477 -73.173 -27.305 1.00 32.13 H new ATOM 0 HD22 LEU A 54 21.536 -73.571 -25.848 1.00 32.13 H new ATOM 0 HD23 LEU A 54 23.314 -73.615 -25.798 1.00 32.13 H new ATOM 916 N ALA A 55 24.486 -78.565 -26.137 1.00 73.02 N ATOM 917 CA ALA A 55 25.656 -79.028 -26.872 1.00 23.42 C ATOM 918 C ALA A 55 25.441 -80.437 -27.415 1.00 43.12 C ATOM 919 O ALA A 55 25.884 -80.762 -28.517 1.00 5.12 O ATOM 920 CB ALA A 55 26.889 -78.987 -25.981 1.00 10.21 C ATOM 0 H ALA A 55 24.579 -78.612 -25.122 1.00 73.02 H new ATOM 0 HA ALA A 55 25.810 -78.360 -27.719 1.00 23.42 H new ATOM 0 HB1 ALA A 55 27.756 -79.335 -26.543 1.00 10.21 H new ATOM 0 HB2 ALA A 55 27.061 -77.964 -25.645 1.00 10.21 H new ATOM 0 HB3 ALA A 55 26.734 -79.632 -25.116 1.00 10.21 H new ATOM 926 N ASP A 56 24.760 -81.269 -26.636 1.00 14.04 N ATOM 927 CA ASP A 56 24.486 -82.643 -27.039 1.00 74.31 C ATOM 928 C ASP A 56 23.532 -82.680 -28.229 1.00 60.33 C ATOM 929 O ASP A 56 23.618 -83.566 -29.079 1.00 23.31 O ATOM 930 CB ASP A 56 23.893 -83.432 -25.870 1.00 61.04 C ATOM 931 CG ASP A 56 24.859 -83.560 -24.709 1.00 64.13 C ATOM 932 OD1 ASP A 56 25.041 -82.566 -23.976 1.00 2.43 O ATOM 933 OD2 ASP A 56 25.433 -84.655 -24.534 1.00 3.05 O ATOM 0 H ASP A 56 24.387 -81.016 -25.721 1.00 14.04 H new ATOM 0 HA ASP A 56 25.428 -83.103 -27.337 1.00 74.31 H new ATOM 0 HB2 ASP A 56 22.982 -82.940 -25.528 1.00 61.04 H new ATOM 0 HB3 ASP A 56 23.609 -84.427 -26.214 1.00 61.04 H new ATOM 938 N ALA A 57 22.623 -81.713 -28.283 1.00 14.42 N ATOM 939 CA ALA A 57 21.654 -81.634 -29.369 1.00 34.12 C ATOM 940 C ALA A 57 22.350 -81.613 -30.725 1.00 51.13 C ATOM 941 O ALA A 57 21.777 -82.021 -31.735 1.00 20.35 O ATOM 942 CB ALA A 57 20.776 -80.402 -29.205 1.00 34.33 C ATOM 0 H ALA A 57 22.537 -80.973 -27.587 1.00 14.42 H new ATOM 0 HA ALA A 57 21.025 -82.523 -29.327 1.00 34.12 H new ATOM 0 HB1 ALA A 57 20.057 -80.356 -30.023 1.00 34.33 H new ATOM 0 HB2 ALA A 57 20.243 -80.459 -28.256 1.00 34.33 H new ATOM 0 HB3 ALA A 57 21.398 -79.507 -29.218 1.00 34.33 H new ATOM 948 N GLY A 58 23.590 -81.133 -30.742 1.00 12.13 N ATOM 949 CA GLY A 58 24.343 -81.067 -31.980 1.00 43.42 C ATOM 950 C GLY A 58 24.455 -82.415 -32.664 1.00 1.03 C ATOM 951 O GLY A 58 24.617 -82.490 -33.882 1.00 33.11 O ATOM 0 H GLY A 58 24.086 -80.789 -29.920 1.00 12.13 H new ATOM 0 HA2 GLY A 58 23.863 -80.359 -32.656 1.00 43.42 H new ATOM 0 HA3 GLY A 58 25.342 -80.684 -31.774 1.00 43.42 H new ATOM 955 N PHE A 59 24.371 -83.484 -31.878 1.00 52.52 N ATOM 956 CA PHE A 59 24.466 -84.836 -32.415 1.00 23.24 C ATOM 957 C PHE A 59 23.249 -85.168 -33.272 1.00 73.41 C ATOM 958 O PHE A 59 23.337 -85.953 -34.216 1.00 34.21 O ATOM 959 CB PHE A 59 24.595 -85.851 -31.277 1.00 0.03 C ATOM 960 CG PHE A 59 25.344 -87.094 -31.664 1.00 4.22 C ATOM 961 CD1 PHE A 59 26.717 -87.172 -31.493 1.00 61.41 C ATOM 962 CD2 PHE A 59 24.676 -88.183 -32.199 1.00 21.22 C ATOM 963 CE1 PHE A 59 27.410 -88.315 -31.848 1.00 12.31 C ATOM 964 CE2 PHE A 59 25.363 -89.328 -32.555 1.00 63.20 C ATOM 965 CZ PHE A 59 26.732 -89.394 -32.381 1.00 11.44 C ATOM 0 H PHE A 59 24.237 -83.440 -30.868 1.00 52.52 H new ATOM 0 HA PHE A 59 25.355 -84.889 -33.043 1.00 23.24 H new ATOM 0 HB2 PHE A 59 25.101 -85.379 -30.435 1.00 0.03 H new ATOM 0 HB3 PHE A 59 23.598 -86.129 -30.934 1.00 0.03 H new ATOM 0 HD1 PHE A 59 27.252 -86.331 -31.078 1.00 61.41 H new ATOM 0 HD2 PHE A 59 23.606 -88.137 -32.340 1.00 21.22 H new ATOM 0 HE1 PHE A 59 28.480 -88.364 -31.709 1.00 12.31 H new ATOM 0 HE2 PHE A 59 24.830 -90.171 -32.969 1.00 63.20 H new ATOM 0 HZ PHE A 59 27.271 -90.287 -32.661 1.00 11.44 H new ATOM 975 N MET A 60 22.113 -84.565 -32.936 1.00 22.33 N ATOM 976 CA MET A 60 20.877 -84.796 -33.675 1.00 25.32 C ATOM 977 C MET A 60 21.054 -84.451 -35.150 1.00 52.21 C ATOM 978 O MET A 60 20.410 -85.041 -36.018 1.00 13.21 O ATOM 979 CB MET A 60 19.738 -83.968 -33.078 1.00 3.14 C ATOM 980 CG MET A 60 18.358 -84.534 -33.368 1.00 70.33 C ATOM 981 SD MET A 60 17.047 -83.648 -32.503 1.00 64.13 S ATOM 982 CE MET A 60 17.448 -84.029 -30.800 1.00 21.32 C ATOM 0 H MET A 60 22.023 -83.913 -32.157 1.00 22.33 H new ATOM 0 HA MET A 60 20.627 -85.854 -33.595 1.00 25.32 H new ATOM 0 HB2 MET A 60 19.875 -83.902 -31.999 1.00 3.14 H new ATOM 0 HB3 MET A 60 19.795 -82.952 -33.469 1.00 3.14 H new ATOM 0 HG2 MET A 60 18.171 -84.494 -34.441 1.00 70.33 H new ATOM 0 HG3 MET A 60 18.333 -85.585 -33.079 1.00 70.33 H new ATOM 0 HE1 MET A 60 16.556 -83.921 -30.183 1.00 21.32 H new ATOM 0 HE2 MET A 60 17.814 -85.054 -30.733 1.00 21.32 H new ATOM 0 HE3 MET A 60 18.219 -83.344 -30.446 1.00 21.32 H new ATOM 992 N LYS A 61 21.930 -83.491 -35.428 1.00 32.22 N ATOM 993 CA LYS A 61 22.192 -83.067 -36.798 1.00 21.20 C ATOM 994 C LYS A 61 22.647 -84.245 -37.654 1.00 52.34 C ATOM 995 O LYS A 61 22.194 -84.411 -38.787 1.00 3.43 O ATOM 996 CB LYS A 61 23.256 -81.967 -36.818 1.00 71.24 C ATOM 997 CG LYS A 61 23.263 -81.152 -38.100 1.00 3.00 C ATOM 998 CD LYS A 61 24.085 -79.883 -37.949 1.00 14.54 C ATOM 999 CE LYS A 61 24.430 -79.278 -39.301 1.00 3.23 C ATOM 1000 NZ LYS A 61 25.677 -78.466 -39.243 1.00 2.34 N ATOM 0 H LYS A 61 22.471 -82.992 -34.722 1.00 32.22 H new ATOM 0 HA LYS A 61 21.264 -82.675 -37.215 1.00 21.20 H new ATOM 0 HB2 LYS A 61 23.092 -81.298 -35.973 1.00 71.24 H new ATOM 0 HB3 LYS A 61 24.238 -82.420 -36.680 1.00 71.24 H new ATOM 0 HG2 LYS A 61 23.668 -81.754 -38.913 1.00 3.00 H new ATOM 0 HG3 LYS A 61 22.240 -80.894 -38.374 1.00 3.00 H new ATOM 0 HD2 LYS A 61 23.529 -79.157 -37.355 1.00 14.54 H new ATOM 0 HD3 LYS A 61 25.002 -80.105 -37.404 1.00 14.54 H new ATOM 0 HE2 LYS A 61 24.549 -80.074 -40.036 1.00 3.23 H new ATOM 0 HE3 LYS A 61 23.605 -78.652 -39.640 1.00 3.23 H new ATOM 0 HZ1 LYS A 61 25.878 -78.071 -40.184 1.00 2.34 H new ATOM 0 HZ2 LYS A 61 25.555 -77.691 -38.561 1.00 2.34 H new ATOM 0 HZ3 LYS A 61 26.470 -79.069 -38.944 1.00 2.34 H new ATOM 1014 N GLN A 62 23.542 -85.059 -37.105 1.00 61.12 N ATOM 1015 CA GLN A 62 24.056 -86.221 -37.820 1.00 23.42 C ATOM 1016 C GLN A 62 22.922 -87.157 -38.225 1.00 21.24 C ATOM 1017 O GLN A 62 22.771 -87.494 -39.399 1.00 50.23 O ATOM 1018 CB GLN A 62 25.068 -86.973 -36.953 1.00 45.31 C ATOM 1019 CG GLN A 62 26.375 -86.221 -36.754 1.00 32.24 C ATOM 1020 CD GLN A 62 27.099 -86.635 -35.487 1.00 55.04 C ATOM 1021 OE1 GLN A 62 26.531 -87.306 -34.625 1.00 14.20 O ATOM 1022 NE2 GLN A 62 28.360 -86.236 -35.369 1.00 34.31 N ATOM 0 H GLN A 62 23.926 -84.936 -36.168 1.00 61.12 H new ATOM 0 HA GLN A 62 24.553 -85.869 -38.724 1.00 23.42 H new ATOM 0 HB2 GLN A 62 24.622 -87.174 -35.979 1.00 45.31 H new ATOM 0 HB3 GLN A 62 25.280 -87.939 -37.411 1.00 45.31 H new ATOM 0 HG2 GLN A 62 27.024 -86.395 -37.612 1.00 32.24 H new ATOM 0 HG3 GLN A 62 26.172 -85.151 -36.719 1.00 32.24 H new ATOM 0 HE21 GLN A 62 28.791 -85.681 -36.109 1.00 34.31 H new ATOM 0 HE22 GLN A 62 28.898 -86.484 -34.539 1.00 34.31 H new ATOM 1031 N TYR A 63 22.128 -87.574 -37.245 1.00 31.30 N ATOM 1032 CA TYR A 63 21.009 -88.474 -37.499 1.00 12.22 C ATOM 1033 C TYR A 63 20.049 -87.874 -38.522 1.00 64.45 C ATOM 1034 O TYR A 63 19.345 -88.596 -39.227 1.00 15.04 O ATOM 1035 CB TYR A 63 20.262 -88.773 -36.198 1.00 4.13 C ATOM 1036 CG TYR A 63 21.026 -89.676 -35.255 1.00 51.23 C ATOM 1037 CD1 TYR A 63 21.118 -89.380 -33.901 1.00 2.12 C ATOM 1038 CD2 TYR A 63 21.656 -90.824 -35.719 1.00 52.13 C ATOM 1039 CE1 TYR A 63 21.815 -90.201 -33.036 1.00 63.41 C ATOM 1040 CE2 TYR A 63 22.354 -91.652 -34.862 1.00 13.13 C ATOM 1041 CZ TYR A 63 22.431 -91.336 -33.521 1.00 72.42 C ATOM 1042 OH TYR A 63 23.126 -92.158 -32.664 1.00 3.11 O ATOM 0 H TYR A 63 22.238 -87.303 -36.268 1.00 31.30 H new ATOM 0 HA TYR A 63 21.409 -89.404 -37.903 1.00 12.22 H new ATOM 0 HB2 TYR A 63 20.043 -87.834 -35.690 1.00 4.13 H new ATOM 0 HB3 TYR A 63 19.305 -89.237 -36.437 1.00 4.13 H new ATOM 0 HD1 TYR A 63 20.636 -88.493 -33.518 1.00 2.12 H new ATOM 0 HD2 TYR A 63 21.599 -91.073 -36.768 1.00 52.13 H new ATOM 0 HE1 TYR A 63 21.877 -89.956 -31.986 1.00 63.41 H new ATOM 0 HE2 TYR A 63 22.837 -92.541 -35.239 1.00 13.13 H new ATOM 0 HH TYR A 63 23.498 -92.913 -33.165 1.00 3.11 H new ATOM 1052 N GLY A 64 20.029 -86.547 -38.599 1.00 23.01 N ATOM 1053 CA GLY A 64 19.154 -85.871 -39.539 1.00 22.32 C ATOM 1054 C GLY A 64 19.624 -86.012 -40.973 1.00 23.10 C ATOM 1055 O GLY A 64 19.375 -87.030 -41.617 1.00 74.40 O ATOM 0 H GLY A 64 20.603 -85.928 -38.027 1.00 23.01 H new ATOM 0 HA2 GLY A 64 18.146 -86.276 -39.449 1.00 22.32 H new ATOM 0 HA3 GLY A 64 19.096 -84.814 -39.281 1.00 22.32 H new ATOM 1059 N GLU A 65 20.305 -84.986 -41.474 1.00 64.44 N ATOM 1060 CA GLU A 65 20.809 -85.000 -42.843 1.00 32.52 C ATOM 1061 C GLU A 65 22.305 -85.297 -42.869 1.00 25.10 C ATOM 1062 O GLU A 65 22.725 -86.390 -43.247 1.00 73.35 O ATOM 1063 CB GLU A 65 20.532 -83.659 -43.526 1.00 34.54 C ATOM 1064 CG GLU A 65 19.052 -83.362 -43.706 1.00 24.53 C ATOM 1065 CD GLU A 65 18.445 -82.670 -42.501 1.00 5.10 C ATOM 1066 OE1 GLU A 65 17.396 -83.140 -42.013 1.00 62.14 O ATOM 1067 OE2 GLU A 65 19.019 -81.658 -42.046 1.00 71.31 O ATOM 0 H GLU A 65 20.520 -84.136 -40.953 1.00 64.44 H new ATOM 0 HA GLU A 65 20.290 -85.790 -43.386 1.00 32.52 H new ATOM 0 HB2 GLU A 65 20.985 -82.861 -42.938 1.00 34.54 H new ATOM 0 HB3 GLU A 65 21.017 -83.651 -44.502 1.00 34.54 H new ATOM 0 HG2 GLU A 65 18.916 -82.735 -44.587 1.00 24.53 H new ATOM 0 HG3 GLU A 65 18.518 -84.294 -43.892 1.00 24.53 H new TER 1074 GLU A 65