USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 596 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 75 TYR OH : rot 56:sc= 0.137 USER MOD Set 1.2: A 78 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 79 HIS : no HE2:sc= -1.08 K(o=-0.94,f=-1.8) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= -0.432 USER MOD Single : A 6 ASN : amide:sc= -0.589 K(o=-0.59,f=-6.1!) USER MOD Single : A 12 LYS NZ :NH3+ -116:sc= -2.07! (180deg=-5.83!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -1.93 K(o=-1.9,f=-8.3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 31 SER OG : rot -140:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 11:sc= 0.608 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0478 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -43:sc= 1.15 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -2.18 K(o=-2.2,f=-2.8) USER MOD Single : A 77 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.3) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0.37) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.122 1.412 -2.969 1.00 70.20 N ATOM 2 CA GLY A 1 0.898 1.050 -2.002 1.00 14.22 C ATOM 3 C GLY A 1 2.134 1.920 -2.111 1.00 25.42 C ATOM 4 O GLY A 1 2.058 3.140 -1.966 1.00 51.12 O ATOM 0 H1 GLY A 1 -0.946 0.788 -2.854 1.00 70.20 H new ATOM 0 H2 GLY A 1 -0.411 2.399 -2.816 1.00 70.20 H new ATOM 0 H3 GLY A 1 0.259 1.308 -3.931 1.00 70.20 H new ATOM 0 HA2 GLY A 1 0.487 1.133 -0.996 1.00 14.22 H new ATOM 0 HA3 GLY A 1 1.178 0.007 -2.147 1.00 14.22 H new ATOM 8 N ILE A 2 3.277 1.291 -2.365 1.00 22.13 N ATOM 9 CA ILE A 2 4.535 2.016 -2.492 1.00 64.30 C ATOM 10 C ILE A 2 4.635 2.711 -3.845 1.00 55.44 C ATOM 11 O ILE A 2 4.363 2.126 -4.894 1.00 33.33 O ATOM 12 CB ILE A 2 5.745 1.078 -2.319 1.00 41.34 C ATOM 13 CG1 ILE A 2 5.672 0.358 -0.971 1.00 52.43 C ATOM 14 CG2 ILE A 2 7.044 1.862 -2.438 1.00 14.13 C ATOM 15 CD1 ILE A 2 5.073 -1.028 -1.058 1.00 51.12 C ATOM 0 H ILE A 2 3.357 0.281 -2.487 1.00 22.13 H new ATOM 0 HA ILE A 2 4.549 2.765 -1.700 1.00 64.30 H new ATOM 0 HB ILE A 2 5.722 0.329 -3.111 1.00 41.34 H new ATOM 0 HG12 ILE A 2 6.676 0.286 -0.552 1.00 52.43 H new ATOM 0 HG13 ILE A 2 5.080 0.958 -0.279 1.00 52.43 H new ATOM 0 HG21 ILE A 2 7.890 1.186 -2.314 1.00 14.13 H new ATOM 0 HG22 ILE A 2 7.097 2.332 -3.420 1.00 14.13 H new ATOM 0 HG23 ILE A 2 7.077 2.630 -1.666 1.00 14.13 H new ATOM 0 HD11 ILE A 2 5.053 -1.479 -0.066 1.00 51.12 H new ATOM 0 HD12 ILE A 2 4.057 -0.962 -1.447 1.00 51.12 H new ATOM 0 HD13 ILE A 2 5.677 -1.644 -1.724 1.00 51.12 H new ATOM 27 N PRO A 3 5.035 3.991 -3.825 1.00 10.32 N ATOM 28 CA PRO A 3 5.182 4.794 -5.042 1.00 50.53 C ATOM 29 C PRO A 3 6.358 4.338 -5.899 1.00 53.13 C ATOM 30 O PRO A 3 7.415 3.977 -5.380 1.00 12.31 O ATOM 31 CB PRO A 3 5.427 6.208 -4.508 1.00 32.35 C ATOM 32 CG PRO A 3 6.011 6.004 -3.152 1.00 53.02 C ATOM 33 CD PRO A 3 5.376 4.753 -2.611 1.00 74.14 C ATOM 0 HA PRO A 3 4.309 4.714 -5.690 1.00 50.53 H new ATOM 0 HB2 PRO A 3 6.108 6.763 -5.153 1.00 32.35 H new ATOM 0 HB3 PRO A 3 4.500 6.779 -4.458 1.00 32.35 H new ATOM 0 HG2 PRO A 3 7.095 5.900 -3.206 1.00 53.02 H new ATOM 0 HG3 PRO A 3 5.804 6.857 -2.506 1.00 53.02 H new ATOM 0 HD2 PRO A 3 6.061 4.200 -1.969 1.00 74.14 H new ATOM 0 HD3 PRO A 3 4.491 4.977 -2.015 1.00 74.14 H new ATOM 41 N LEU A 4 6.168 4.357 -7.214 1.00 32.41 N ATOM 42 CA LEU A 4 7.214 3.945 -8.144 1.00 14.00 C ATOM 43 C LEU A 4 8.485 4.760 -7.929 1.00 21.53 C ATOM 44 O LEU A 4 9.585 4.308 -8.248 1.00 30.03 O ATOM 45 CB LEU A 4 6.731 4.103 -9.587 1.00 23.10 C ATOM 46 CG LEU A 4 6.593 5.538 -10.095 1.00 43.53 C ATOM 47 CD1 LEU A 4 6.862 5.603 -11.591 1.00 2.43 C ATOM 48 CD2 LEU A 4 5.210 6.087 -9.776 1.00 22.31 C ATOM 0 H LEU A 4 5.300 4.653 -7.660 1.00 32.41 H new ATOM 0 HA LEU A 4 7.441 2.896 -7.956 1.00 14.00 H new ATOM 0 HB2 LEU A 4 7.423 3.572 -10.241 1.00 23.10 H new ATOM 0 HB3 LEU A 4 5.763 3.611 -9.681 1.00 23.10 H new ATOM 0 HG LEU A 4 7.333 6.155 -9.586 1.00 43.53 H new ATOM 0 HD11 LEU A 4 6.759 6.632 -11.935 1.00 2.43 H new ATOM 0 HD12 LEU A 4 7.874 5.252 -11.794 1.00 2.43 H new ATOM 0 HD13 LEU A 4 6.146 4.971 -12.117 1.00 2.43 H new ATOM 0 HD21 LEU A 4 5.130 7.109 -10.145 1.00 22.31 H new ATOM 0 HD22 LEU A 4 4.453 5.468 -10.257 1.00 22.31 H new ATOM 0 HD23 LEU A 4 5.055 6.078 -8.697 1.00 22.31 H new ATOM 60 N SER A 5 8.327 5.961 -7.384 1.00 13.53 N ATOM 61 CA SER A 5 9.462 6.840 -7.127 1.00 11.01 C ATOM 62 C SER A 5 10.387 6.238 -6.074 1.00 65.01 C ATOM 63 O SER A 5 11.609 6.263 -6.219 1.00 32.43 O ATOM 64 CB SER A 5 8.975 8.216 -6.668 1.00 24.11 C ATOM 65 OG SER A 5 7.970 8.097 -5.677 1.00 32.35 O ATOM 0 H SER A 5 7.424 6.348 -7.111 1.00 13.53 H new ATOM 0 HA SER A 5 10.021 6.952 -8.056 1.00 11.01 H new ATOM 0 HB2 SER A 5 9.814 8.789 -6.273 1.00 24.11 H new ATOM 0 HB3 SER A 5 8.585 8.770 -7.521 1.00 24.11 H new ATOM 0 HG SER A 5 7.677 8.990 -5.399 1.00 32.35 H new ATOM 71 N ASN A 6 9.795 5.698 -5.014 1.00 62.41 N ATOM 72 CA ASN A 6 10.566 5.089 -3.935 1.00 55.25 C ATOM 73 C ASN A 6 11.453 3.967 -4.466 1.00 54.23 C ATOM 74 O ASN A 6 12.673 4.000 -4.308 1.00 23.33 O ATOM 75 CB ASN A 6 9.628 4.546 -2.855 1.00 63.31 C ATOM 76 CG ASN A 6 10.331 3.596 -1.904 1.00 4.50 C ATOM 77 OD1 ASN A 6 9.809 2.532 -1.573 1.00 11.14 O ATOM 78 ND2 ASN A 6 11.523 3.979 -1.460 1.00 11.12 N ATOM 0 H ASN A 6 8.784 5.669 -4.879 1.00 62.41 H new ATOM 0 HA ASN A 6 11.205 5.857 -3.499 1.00 55.25 H new ATOM 0 HB2 ASN A 6 9.209 5.378 -2.289 1.00 63.31 H new ATOM 0 HB3 ASN A 6 8.793 4.030 -3.329 1.00 63.31 H new ATOM 0 HD21 ASN A 6 12.044 3.382 -0.818 1.00 11.12 H new ATOM 0 HD22 ASN A 6 11.917 4.870 -1.761 1.00 11.12 H new ATOM 85 N ILE A 7 10.831 2.977 -5.097 1.00 74.11 N ATOM 86 CA ILE A 7 11.564 1.846 -5.653 1.00 14.22 C ATOM 87 C ILE A 7 12.622 2.312 -6.647 1.00 1.14 C ATOM 88 O ILE A 7 13.712 1.745 -6.719 1.00 34.31 O ATOM 89 CB ILE A 7 10.619 0.853 -6.354 1.00 72.34 C ATOM 90 CG1 ILE A 7 9.657 0.228 -5.342 1.00 12.13 C ATOM 91 CG2 ILE A 7 11.420 -0.226 -7.068 1.00 33.44 C ATOM 92 CD1 ILE A 7 8.373 -0.278 -5.961 1.00 13.04 C ATOM 0 H ILE A 7 9.821 2.935 -5.236 1.00 74.11 H new ATOM 0 HA ILE A 7 12.051 1.343 -4.817 1.00 14.22 H new ATOM 0 HB ILE A 7 10.033 1.395 -7.096 1.00 72.34 H new ATOM 0 HG12 ILE A 7 10.159 -0.599 -4.839 1.00 12.13 H new ATOM 0 HG13 ILE A 7 9.416 0.967 -4.578 1.00 12.13 H new ATOM 0 HG21 ILE A 7 10.738 -0.921 -7.559 1.00 33.44 H new ATOM 0 HG22 ILE A 7 12.067 0.235 -7.814 1.00 33.44 H new ATOM 0 HG23 ILE A 7 12.029 -0.767 -6.343 1.00 33.44 H new ATOM 0 HD11 ILE A 7 7.740 -0.708 -5.185 1.00 13.04 H new ATOM 0 HD12 ILE A 7 7.849 0.549 -6.440 1.00 13.04 H new ATOM 0 HD13 ILE A 7 8.604 -1.041 -6.705 1.00 13.04 H new ATOM 104 N GLU A 8 12.294 3.350 -7.409 1.00 53.25 N ATOM 105 CA GLU A 8 13.217 3.893 -8.399 1.00 25.14 C ATOM 106 C GLU A 8 14.543 4.281 -7.750 1.00 21.22 C ATOM 107 O GLU A 8 15.607 3.830 -8.172 1.00 22.53 O ATOM 108 CB GLU A 8 12.601 5.110 -9.091 1.00 73.13 C ATOM 109 CG GLU A 8 11.899 4.776 -10.397 1.00 45.43 C ATOM 110 CD GLU A 8 11.291 5.997 -11.061 1.00 33.43 C ATOM 111 OE1 GLU A 8 11.036 6.993 -10.352 1.00 75.43 O ATOM 112 OE2 GLU A 8 11.070 5.955 -12.289 1.00 71.23 O ATOM 0 H GLU A 8 11.396 3.832 -7.360 1.00 53.25 H new ATOM 0 HA GLU A 8 13.408 3.119 -9.143 1.00 25.14 H new ATOM 0 HB2 GLU A 8 11.887 5.580 -8.414 1.00 73.13 H new ATOM 0 HB3 GLU A 8 13.385 5.842 -9.286 1.00 73.13 H new ATOM 0 HG2 GLU A 8 12.611 4.312 -11.080 1.00 45.43 H new ATOM 0 HG3 GLU A 8 11.116 4.042 -10.207 1.00 45.43 H new ATOM 119 N GLU A 9 14.469 5.121 -6.722 1.00 71.21 N ATOM 120 CA GLU A 9 15.663 5.571 -6.016 1.00 71.42 C ATOM 121 C GLU A 9 16.376 4.397 -5.351 1.00 30.12 C ATOM 122 O GLU A 9 17.605 4.356 -5.292 1.00 0.31 O ATOM 123 CB GLU A 9 15.296 6.621 -4.966 1.00 21.34 C ATOM 124 CG GLU A 9 16.447 6.988 -4.044 1.00 62.13 C ATOM 125 CD GLU A 9 16.137 8.190 -3.173 1.00 73.51 C ATOM 126 OE1 GLU A 9 14.948 8.396 -2.850 1.00 21.45 O ATOM 127 OE2 GLU A 9 17.081 8.924 -2.815 1.00 63.42 O ATOM 0 H GLU A 9 13.595 5.503 -6.360 1.00 71.21 H new ATOM 0 HA GLU A 9 16.339 6.018 -6.745 1.00 71.42 H new ATOM 0 HB2 GLU A 9 14.945 7.521 -5.471 1.00 21.34 H new ATOM 0 HB3 GLU A 9 14.466 6.248 -4.366 1.00 21.34 H new ATOM 0 HG2 GLU A 9 16.684 6.135 -3.408 1.00 62.13 H new ATOM 0 HG3 GLU A 9 17.334 7.197 -4.642 1.00 62.13 H new ATOM 134 N ARG A 10 15.595 3.445 -4.851 1.00 25.44 N ATOM 135 CA ARG A 10 16.151 2.271 -4.188 1.00 3.13 C ATOM 136 C ARG A 10 16.948 1.418 -5.170 1.00 60.14 C ATOM 137 O ARG A 10 18.158 1.248 -5.022 1.00 3.01 O ATOM 138 CB ARG A 10 15.033 1.436 -3.561 1.00 24.04 C ATOM 139 CG ARG A 10 14.446 2.052 -2.301 1.00 63.02 C ATOM 140 CD ARG A 10 14.155 0.995 -1.248 1.00 32.23 C ATOM 141 NE ARG A 10 15.312 0.739 -0.394 1.00 60.24 N ATOM 142 CZ ARG A 10 15.651 1.508 0.634 1.00 22.12 C ATOM 143 NH1 ARG A 10 14.925 2.575 0.936 1.00 50.42 N ATOM 144 NH2 ARG A 10 16.719 1.209 1.364 1.00 55.41 N ATOM 0 H ARG A 10 14.576 3.463 -4.892 1.00 25.44 H new ATOM 0 HA ARG A 10 16.824 2.613 -3.402 1.00 3.13 H new ATOM 0 HB2 ARG A 10 14.237 1.301 -4.294 1.00 24.04 H new ATOM 0 HB3 ARG A 10 15.420 0.445 -3.324 1.00 24.04 H new ATOM 0 HG2 ARG A 10 15.141 2.788 -1.897 1.00 63.02 H new ATOM 0 HG3 ARG A 10 13.527 2.583 -2.548 1.00 63.02 H new ATOM 0 HD2 ARG A 10 13.315 1.318 -0.633 1.00 32.23 H new ATOM 0 HD3 ARG A 10 13.854 0.069 -1.738 1.00 32.23 H new ATOM 0 HE ARG A 10 15.891 -0.075 -0.599 1.00 60.24 H new ATOM 0 HH11 ARG A 10 14.103 2.807 0.378 1.00 50.42 H new ATOM 0 HH12 ARG A 10 15.188 3.164 1.726 1.00 50.42 H new ATOM 0 HH21 ARG A 10 17.280 0.388 1.135 1.00 55.41 H new ATOM 0 HH22 ARG A 10 16.979 1.800 2.154 1.00 55.41 H new ATOM 158 N VAL A 11 16.260 0.883 -6.174 1.00 65.23 N ATOM 159 CA VAL A 11 16.903 0.048 -7.182 1.00 24.21 C ATOM 160 C VAL A 11 18.148 0.725 -7.744 1.00 41.12 C ATOM 161 O VAL A 11 19.249 0.177 -7.682 1.00 73.14 O ATOM 162 CB VAL A 11 15.941 -0.276 -8.340 1.00 31.01 C ATOM 163 CG1 VAL A 11 16.584 -1.255 -9.311 1.00 15.03 C ATOM 164 CG2 VAL A 11 14.629 -0.828 -7.803 1.00 60.22 C ATOM 0 H VAL A 11 15.258 1.013 -6.311 1.00 65.23 H new ATOM 0 HA VAL A 11 17.190 -0.880 -6.688 1.00 24.21 H new ATOM 0 HB VAL A 11 15.727 0.646 -8.881 1.00 31.01 H new ATOM 0 HG11 VAL A 11 15.889 -1.472 -10.122 1.00 15.03 H new ATOM 0 HG12 VAL A 11 17.494 -0.817 -9.720 1.00 15.03 H new ATOM 0 HG13 VAL A 11 16.830 -2.179 -8.787 1.00 15.03 H new ATOM 0 HG21 VAL A 11 13.961 -1.052 -8.635 1.00 60.22 H new ATOM 0 HG22 VAL A 11 14.822 -1.740 -7.237 1.00 60.22 H new ATOM 0 HG23 VAL A 11 14.163 -0.089 -7.152 1.00 60.22 H new ATOM 174 N LYS A 12 17.967 1.922 -8.293 1.00 72.41 N ATOM 175 CA LYS A 12 19.075 2.677 -8.866 1.00 33.12 C ATOM 176 C LYS A 12 20.239 2.765 -7.884 1.00 34.42 C ATOM 177 O LYS A 12 21.389 2.514 -8.244 1.00 71.11 O ATOM 178 CB LYS A 12 18.613 4.084 -9.253 1.00 64.33 C ATOM 179 CG LYS A 12 17.634 4.104 -10.414 1.00 41.41 C ATOM 180 CD LYS A 12 18.231 3.468 -11.658 1.00 54.24 C ATOM 181 CE LYS A 12 17.581 4.005 -12.925 1.00 30.32 C ATOM 182 NZ LYS A 12 18.216 5.273 -13.380 1.00 21.54 N ATOM 0 H LYS A 12 17.063 2.390 -8.353 1.00 72.41 H new ATOM 0 HA LYS A 12 19.415 2.154 -9.760 1.00 33.12 H new ATOM 0 HB2 LYS A 12 18.147 4.555 -8.388 1.00 64.33 H new ATOM 0 HB3 LYS A 12 19.484 4.685 -9.513 1.00 64.33 H new ATOM 0 HG2 LYS A 12 16.725 3.573 -10.133 1.00 41.41 H new ATOM 0 HG3 LYS A 12 17.348 5.133 -10.632 1.00 41.41 H new ATOM 0 HD2 LYS A 12 19.303 3.661 -11.688 1.00 54.24 H new ATOM 0 HD3 LYS A 12 18.103 2.387 -11.612 1.00 54.24 H new ATOM 0 HE2 LYS A 12 17.655 3.258 -13.715 1.00 30.32 H new ATOM 0 HE3 LYS A 12 16.520 4.175 -12.745 1.00 30.32 H new ATOM 0 HZ1 LYS A 12 17.522 6.046 -13.331 1.00 21.54 H new ATOM 0 HZ2 LYS A 12 19.026 5.495 -12.767 1.00 21.54 H new ATOM 0 HZ3 LYS A 12 18.544 5.164 -14.361 1.00 21.54 H new ATOM 196 N LYS A 13 19.932 3.121 -6.641 1.00 25.31 N ATOM 197 CA LYS A 13 20.952 3.239 -5.605 1.00 60.12 C ATOM 198 C LYS A 13 21.826 1.990 -5.557 1.00 33.53 C ATOM 199 O LYS A 13 23.050 2.072 -5.665 1.00 15.33 O ATOM 200 CB LYS A 13 20.298 3.470 -4.241 1.00 41.20 C ATOM 201 CG LYS A 13 21.297 3.677 -3.115 1.00 75.41 C ATOM 202 CD LYS A 13 20.621 4.203 -1.860 1.00 53.11 C ATOM 203 CE LYS A 13 19.826 3.114 -1.156 1.00 71.14 C ATOM 204 NZ LYS A 13 19.716 3.365 0.307 1.00 2.13 N ATOM 0 H LYS A 13 18.985 3.333 -6.326 1.00 25.31 H new ATOM 0 HA LYS A 13 21.584 4.094 -5.848 1.00 60.12 H new ATOM 0 HB2 LYS A 13 19.647 4.342 -4.303 1.00 41.20 H new ATOM 0 HB3 LYS A 13 19.665 2.616 -4.001 1.00 41.20 H new ATOM 0 HG2 LYS A 13 21.796 2.734 -2.892 1.00 75.41 H new ATOM 0 HG3 LYS A 13 22.068 4.378 -3.435 1.00 75.41 H new ATOM 0 HD2 LYS A 13 21.374 4.602 -1.180 1.00 53.11 H new ATOM 0 HD3 LYS A 13 19.958 5.028 -2.121 1.00 53.11 H new ATOM 0 HE2 LYS A 13 18.828 3.055 -1.590 1.00 71.14 H new ATOM 0 HE3 LYS A 13 20.304 2.149 -1.324 1.00 71.14 H new ATOM 0 HZ1 LYS A 13 19.167 2.601 0.750 1.00 2.13 H new ATOM 0 HZ2 LYS A 13 20.667 3.396 0.726 1.00 2.13 H new ATOM 0 HZ3 LYS A 13 19.237 4.274 0.468 1.00 2.13 H new ATOM 218 N ILE A 14 21.190 0.834 -5.395 1.00 54.22 N ATOM 219 CA ILE A 14 21.909 -0.432 -5.335 1.00 45.23 C ATOM 220 C ILE A 14 22.833 -0.596 -6.538 1.00 32.53 C ATOM 221 O ILE A 14 24.046 -0.743 -6.386 1.00 10.12 O ATOM 222 CB ILE A 14 20.941 -1.628 -5.278 1.00 40.13 C ATOM 223 CG1 ILE A 14 20.119 -1.586 -3.988 1.00 44.23 C ATOM 224 CG2 ILE A 14 21.710 -2.937 -5.381 1.00 15.12 C ATOM 225 CD1 ILE A 14 18.628 -1.497 -4.224 1.00 71.55 C ATOM 0 H ILE A 14 20.178 0.749 -5.303 1.00 54.22 H new ATOM 0 HA ILE A 14 22.504 -0.414 -4.422 1.00 45.23 H new ATOM 0 HB ILE A 14 20.257 -1.564 -6.124 1.00 40.13 H new ATOM 0 HG12 ILE A 14 20.333 -2.479 -3.401 1.00 44.23 H new ATOM 0 HG13 ILE A 14 20.436 -0.730 -3.392 1.00 44.23 H new ATOM 0 HG21 ILE A 14 21.012 -3.773 -5.339 1.00 15.12 H new ATOM 0 HG22 ILE A 14 22.255 -2.966 -6.325 1.00 15.12 H new ATOM 0 HG23 ILE A 14 22.415 -3.011 -4.553 1.00 15.12 H new ATOM 0 HD11 ILE A 14 18.109 -1.471 -3.266 1.00 71.55 H new ATOM 0 HD12 ILE A 14 18.402 -0.590 -4.784 1.00 71.55 H new ATOM 0 HD13 ILE A 14 18.297 -2.366 -4.793 1.00 71.55 H new ATOM 237 N ILE A 15 22.251 -0.570 -7.732 1.00 14.32 N ATOM 238 CA ILE A 15 23.022 -0.713 -8.960 1.00 53.04 C ATOM 239 C ILE A 15 24.173 0.286 -9.007 1.00 14.31 C ATOM 240 O ILE A 15 25.255 -0.020 -9.507 1.00 2.13 O ATOM 241 CB ILE A 15 22.137 -0.518 -10.206 1.00 62.41 C ATOM 242 CG1 ILE A 15 21.075 -1.617 -10.281 1.00 31.12 C ATOM 243 CG2 ILE A 15 22.990 -0.512 -11.466 1.00 23.43 C ATOM 244 CD1 ILE A 15 19.657 -1.090 -10.249 1.00 24.24 C ATOM 0 H ILE A 15 21.248 -0.451 -7.875 1.00 14.32 H new ATOM 0 HA ILE A 15 23.424 -1.726 -8.964 1.00 53.04 H new ATOM 0 HB ILE A 15 21.632 0.445 -10.128 1.00 62.41 H new ATOM 0 HG12 ILE A 15 21.221 -2.190 -11.197 1.00 31.12 H new ATOM 0 HG13 ILE A 15 21.217 -2.306 -9.448 1.00 31.12 H new ATOM 0 HG21 ILE A 15 22.350 -0.373 -12.338 1.00 23.43 H new ATOM 0 HG22 ILE A 15 23.712 0.303 -11.413 1.00 23.43 H new ATOM 0 HG23 ILE A 15 23.519 -1.461 -11.552 1.00 23.43 H new ATOM 0 HD11 ILE A 15 18.958 -1.924 -10.306 1.00 24.24 H new ATOM 0 HD12 ILE A 15 19.493 -0.542 -9.321 1.00 24.24 H new ATOM 0 HD13 ILE A 15 19.497 -0.424 -11.097 1.00 24.24 H new ATOM 256 N VAL A 16 23.932 1.483 -8.481 1.00 32.04 N ATOM 257 CA VAL A 16 24.949 2.527 -8.459 1.00 11.41 C ATOM 258 C VAL A 16 26.016 2.233 -7.411 1.00 44.21 C ATOM 259 O VAL A 16 27.152 2.693 -7.523 1.00 24.41 O ATOM 260 CB VAL A 16 24.330 3.908 -8.171 1.00 54.03 C ATOM 261 CG1 VAL A 16 25.419 4.954 -7.986 1.00 34.45 C ATOM 262 CG2 VAL A 16 23.380 4.309 -9.290 1.00 35.32 C ATOM 0 H VAL A 16 23.041 1.753 -8.064 1.00 32.04 H new ATOM 0 HA VAL A 16 25.408 2.542 -9.447 1.00 11.41 H new ATOM 0 HB VAL A 16 23.759 3.845 -7.245 1.00 54.03 H new ATOM 0 HG11 VAL A 16 24.962 5.923 -7.784 1.00 34.45 H new ATOM 0 HG12 VAL A 16 26.057 4.671 -7.148 1.00 34.45 H new ATOM 0 HG13 VAL A 16 26.019 5.019 -8.893 1.00 34.45 H new ATOM 0 HG21 VAL A 16 22.952 5.287 -9.071 1.00 35.32 H new ATOM 0 HG22 VAL A 16 23.926 4.355 -10.232 1.00 35.32 H new ATOM 0 HG23 VAL A 16 22.581 3.572 -9.370 1.00 35.32 H new ATOM 272 N GLU A 17 25.643 1.464 -6.393 1.00 71.23 N ATOM 273 CA GLU A 17 26.569 1.109 -5.325 1.00 24.32 C ATOM 274 C GLU A 17 27.356 -0.149 -5.682 1.00 72.24 C ATOM 275 O GLU A 17 28.460 -0.366 -5.183 1.00 53.52 O ATOM 276 CB GLU A 17 25.812 0.894 -4.013 1.00 33.10 C ATOM 277 CG GLU A 17 25.469 2.185 -3.289 1.00 42.45 C ATOM 278 CD GLU A 17 26.683 2.840 -2.658 1.00 54.14 C ATOM 279 OE1 GLU A 17 27.432 2.140 -1.946 1.00 11.10 O ATOM 280 OE2 GLU A 17 26.883 4.053 -2.878 1.00 13.33 O ATOM 0 H GLU A 17 24.706 1.075 -6.286 1.00 71.23 H new ATOM 0 HA GLU A 17 27.271 1.933 -5.200 1.00 24.32 H new ATOM 0 HB2 GLU A 17 24.892 0.348 -4.220 1.00 33.10 H new ATOM 0 HB3 GLU A 17 26.414 0.267 -3.355 1.00 33.10 H new ATOM 0 HG2 GLU A 17 25.010 2.880 -3.992 1.00 42.45 H new ATOM 0 HG3 GLU A 17 24.729 1.978 -2.516 1.00 42.45 H new ATOM 287 N GLN A 18 26.778 -0.975 -6.549 1.00 42.44 N ATOM 288 CA GLN A 18 27.424 -2.211 -6.973 1.00 23.33 C ATOM 289 C GLN A 18 28.338 -1.966 -8.169 1.00 22.31 C ATOM 290 O GLN A 18 29.557 -2.114 -8.073 1.00 22.42 O ATOM 291 CB GLN A 18 26.374 -3.265 -7.326 1.00 75.31 C ATOM 292 CG GLN A 18 25.460 -3.626 -6.166 1.00 74.12 C ATOM 293 CD GLN A 18 26.167 -3.570 -4.827 1.00 21.54 C ATOM 294 OE1 GLN A 18 26.819 -4.531 -4.416 1.00 4.43 O ATOM 295 NE2 GLN A 18 26.042 -2.443 -4.137 1.00 51.40 N ATOM 0 H GLN A 18 25.864 -0.810 -6.971 1.00 42.44 H new ATOM 0 HA GLN A 18 28.031 -2.576 -6.145 1.00 23.33 H new ATOM 0 HB2 GLN A 18 25.768 -2.899 -8.155 1.00 75.31 H new ATOM 0 HB3 GLN A 18 26.879 -4.166 -7.674 1.00 75.31 H new ATOM 0 HG2 GLN A 18 24.610 -2.944 -6.152 1.00 74.12 H new ATOM 0 HG3 GLN A 18 25.062 -4.629 -6.321 1.00 74.12 H new ATOM 0 HE21 GLN A 18 25.492 -1.672 -4.515 1.00 51.40 H new ATOM 0 HE22 GLN A 18 26.496 -2.348 -3.228 1.00 51.40 H new ATOM 304 N LEU A 19 27.742 -1.591 -9.295 1.00 62.33 N ATOM 305 CA LEU A 19 28.503 -1.326 -10.512 1.00 14.34 C ATOM 306 C LEU A 19 29.579 -0.274 -10.262 1.00 23.50 C ATOM 307 O LEU A 19 30.735 -0.451 -10.646 1.00 33.22 O ATOM 308 CB LEU A 19 27.568 -0.860 -11.629 1.00 41.33 C ATOM 309 CG LEU A 19 26.898 -1.964 -12.448 1.00 43.22 C ATOM 310 CD1 LEU A 19 27.919 -2.670 -13.327 1.00 73.03 C ATOM 311 CD2 LEU A 19 26.201 -2.959 -11.532 1.00 62.01 C ATOM 0 H LEU A 19 26.735 -1.463 -9.391 1.00 62.33 H new ATOM 0 HA LEU A 19 28.990 -2.252 -10.817 1.00 14.34 H new ATOM 0 HB2 LEU A 19 26.789 -0.239 -11.188 1.00 41.33 H new ATOM 0 HB3 LEU A 19 28.135 -0.224 -12.309 1.00 41.33 H new ATOM 0 HG LEU A 19 26.147 -1.507 -13.093 1.00 43.22 H new ATOM 0 HD11 LEU A 19 27.424 -3.452 -13.903 1.00 73.03 H new ATOM 0 HD12 LEU A 19 28.372 -1.950 -14.008 1.00 73.03 H new ATOM 0 HD13 LEU A 19 28.693 -3.114 -12.701 1.00 73.03 H new ATOM 0 HD21 LEU A 19 25.730 -3.738 -12.132 1.00 62.01 H new ATOM 0 HD22 LEU A 19 26.932 -3.410 -10.861 1.00 62.01 H new ATOM 0 HD23 LEU A 19 25.441 -2.443 -10.945 1.00 62.01 H new ATOM 323 N GLY A 20 29.192 0.820 -9.614 1.00 32.02 N ATOM 324 CA GLY A 20 30.136 1.883 -9.322 1.00 21.41 C ATOM 325 C GLY A 20 29.913 3.109 -10.184 1.00 43.22 C ATOM 326 O GLY A 20 30.405 4.194 -9.872 1.00 55.12 O ATOM 0 H GLY A 20 28.241 0.989 -9.286 1.00 32.02 H new ATOM 0 HA2 GLY A 20 30.052 2.161 -8.271 1.00 21.41 H new ATOM 0 HA3 GLY A 20 31.151 1.515 -9.474 1.00 21.41 H new ATOM 330 N VAL A 21 29.171 2.938 -11.274 1.00 24.12 N ATOM 331 CA VAL A 21 28.885 4.040 -12.185 1.00 31.23 C ATOM 332 C VAL A 21 28.006 5.091 -11.516 1.00 60.03 C ATOM 333 O VAL A 21 27.528 4.896 -10.399 1.00 23.05 O ATOM 334 CB VAL A 21 28.188 3.543 -13.465 1.00 61.32 C ATOM 335 CG1 VAL A 21 29.049 2.509 -14.175 1.00 30.22 C ATOM 336 CG2 VAL A 21 26.816 2.972 -13.138 1.00 4.33 C ATOM 0 H VAL A 21 28.757 2.047 -11.547 1.00 24.12 H new ATOM 0 HA VAL A 21 29.842 4.487 -12.452 1.00 31.23 H new ATOM 0 HB VAL A 21 28.053 4.391 -14.136 1.00 61.32 H new ATOM 0 HG11 VAL A 21 28.540 2.169 -15.077 1.00 30.22 H new ATOM 0 HG12 VAL A 21 30.006 2.956 -14.445 1.00 30.22 H new ATOM 0 HG13 VAL A 21 29.219 1.660 -13.513 1.00 30.22 H new ATOM 0 HG21 VAL A 21 26.338 2.626 -14.054 1.00 4.33 H new ATOM 0 HG22 VAL A 21 26.925 2.136 -12.447 1.00 4.33 H new ATOM 0 HG23 VAL A 21 26.201 3.745 -12.678 1.00 4.33 H new ATOM 346 N ASP A 22 27.796 6.205 -12.208 1.00 44.42 N ATOM 347 CA ASP A 22 26.973 7.288 -11.683 1.00 0.24 C ATOM 348 C ASP A 22 25.496 7.037 -11.970 1.00 61.41 C ATOM 349 O ASP A 22 25.135 6.573 -13.051 1.00 63.02 O ATOM 350 CB ASP A 22 27.403 8.625 -12.289 1.00 31.10 C ATOM 351 CG ASP A 22 28.296 9.422 -11.359 1.00 1.12 C ATOM 352 OD1 ASP A 22 29.512 9.142 -11.320 1.00 62.22 O ATOM 353 OD2 ASP A 22 27.779 10.326 -10.669 1.00 32.32 O ATOM 0 H ASP A 22 28.185 6.382 -13.134 1.00 44.42 H new ATOM 0 HA ASP A 22 27.113 7.326 -10.603 1.00 0.24 H new ATOM 0 HB2 ASP A 22 27.929 8.443 -13.226 1.00 31.10 H new ATOM 0 HB3 ASP A 22 26.517 9.213 -12.530 1.00 31.10 H new ATOM 358 N GLU A 23 24.648 7.345 -10.994 1.00 75.23 N ATOM 359 CA GLU A 23 23.210 7.150 -11.143 1.00 21.21 C ATOM 360 C GLU A 23 22.663 7.991 -12.292 1.00 51.42 C ATOM 361 O GLU A 23 21.570 7.736 -12.797 1.00 61.11 O ATOM 362 CB GLU A 23 22.487 7.510 -9.843 1.00 60.34 C ATOM 363 CG GLU A 23 22.550 8.989 -9.501 1.00 65.21 C ATOM 364 CD GLU A 23 21.429 9.784 -10.140 1.00 54.10 C ATOM 365 OE1 GLU A 23 20.292 9.270 -10.190 1.00 74.42 O ATOM 366 OE2 GLU A 23 21.687 10.920 -10.590 1.00 21.22 O ATOM 0 H GLU A 23 24.931 7.730 -10.093 1.00 75.23 H new ATOM 0 HA GLU A 23 23.033 6.099 -11.370 1.00 21.21 H new ATOM 0 HB2 GLU A 23 21.443 7.208 -9.922 1.00 60.34 H new ATOM 0 HB3 GLU A 23 22.923 6.937 -9.024 1.00 60.34 H new ATOM 0 HG2 GLU A 23 22.505 9.110 -8.419 1.00 65.21 H new ATOM 0 HG3 GLU A 23 23.508 9.393 -9.827 1.00 65.21 H new ATOM 373 N ALA A 24 23.431 8.996 -12.700 1.00 10.52 N ATOM 374 CA ALA A 24 23.025 9.875 -13.790 1.00 12.03 C ATOM 375 C ALA A 24 23.360 9.260 -15.144 1.00 43.43 C ATOM 376 O ALA A 24 22.726 9.573 -16.151 1.00 70.34 O ATOM 377 CB ALA A 24 23.690 11.236 -13.646 1.00 72.02 C ATOM 0 H ALA A 24 24.338 9.222 -12.292 1.00 10.52 H new ATOM 0 HA ALA A 24 21.944 10.004 -13.737 1.00 12.03 H new ATOM 0 HB1 ALA A 24 23.378 11.882 -14.467 1.00 72.02 H new ATOM 0 HB2 ALA A 24 23.396 11.686 -12.698 1.00 72.02 H new ATOM 0 HB3 ALA A 24 24.773 11.116 -13.670 1.00 72.02 H new ATOM 383 N GLU A 25 24.361 8.386 -15.161 1.00 24.13 N ATOM 384 CA GLU A 25 24.781 7.729 -16.393 1.00 41.32 C ATOM 385 C GLU A 25 24.168 6.336 -16.504 1.00 14.52 C ATOM 386 O GLU A 25 24.788 5.413 -17.031 1.00 33.33 O ATOM 387 CB GLU A 25 26.307 7.633 -16.452 1.00 20.54 C ATOM 388 CG GLU A 25 26.901 6.730 -15.383 1.00 1.40 C ATOM 389 CD GLU A 25 28.346 6.367 -15.664 1.00 3.04 C ATOM 390 OE1 GLU A 25 28.588 5.580 -16.603 1.00 52.52 O ATOM 391 OE2 GLU A 25 29.235 6.868 -14.944 1.00 41.42 O ATOM 0 H GLU A 25 24.896 8.116 -14.336 1.00 24.13 H new ATOM 0 HA GLU A 25 24.429 8.329 -17.232 1.00 41.32 H new ATOM 0 HB2 GLU A 25 26.602 7.263 -17.434 1.00 20.54 H new ATOM 0 HB3 GLU A 25 26.730 8.632 -16.348 1.00 20.54 H new ATOM 0 HG2 GLU A 25 26.837 7.228 -14.415 1.00 1.40 H new ATOM 0 HG3 GLU A 25 26.308 5.818 -15.312 1.00 1.40 H new ATOM 398 N VAL A 26 22.945 6.193 -16.002 1.00 51.34 N ATOM 399 CA VAL A 26 22.246 4.914 -16.045 1.00 2.33 C ATOM 400 C VAL A 26 20.803 5.091 -16.503 1.00 40.41 C ATOM 401 O VAL A 26 20.192 6.136 -16.278 1.00 13.12 O ATOM 402 CB VAL A 26 22.255 4.224 -14.668 1.00 12.23 C ATOM 403 CG1 VAL A 26 21.384 4.988 -13.682 1.00 1.21 C ATOM 404 CG2 VAL A 26 21.792 2.781 -14.793 1.00 20.52 C ATOM 0 H VAL A 26 22.418 6.947 -15.561 1.00 51.34 H new ATOM 0 HA VAL A 26 22.777 4.287 -16.761 1.00 2.33 H new ATOM 0 HB VAL A 26 23.277 4.223 -14.288 1.00 12.23 H new ATOM 0 HG11 VAL A 26 21.403 4.486 -12.715 1.00 1.21 H new ATOM 0 HG12 VAL A 26 21.765 6.003 -13.571 1.00 1.21 H new ATOM 0 HG13 VAL A 26 20.360 5.023 -14.053 1.00 1.21 H new ATOM 0 HG21 VAL A 26 21.804 2.309 -13.811 1.00 20.52 H new ATOM 0 HG22 VAL A 26 20.779 2.757 -15.194 1.00 20.52 H new ATOM 0 HG23 VAL A 26 22.460 2.241 -15.464 1.00 20.52 H new ATOM 414 N LYS A 27 20.263 4.063 -17.148 1.00 35.01 N ATOM 415 CA LYS A 27 18.890 4.102 -17.638 1.00 13.33 C ATOM 416 C LYS A 27 18.146 2.821 -17.276 1.00 61.52 C ATOM 417 O LYS A 27 18.750 1.848 -16.827 1.00 31.45 O ATOM 418 CB LYS A 27 18.873 4.304 -19.155 1.00 22.44 C ATOM 419 CG LYS A 27 19.618 5.546 -19.611 1.00 53.25 C ATOM 420 CD LYS A 27 19.133 6.018 -20.972 1.00 63.23 C ATOM 421 CE LYS A 27 19.919 7.227 -21.455 1.00 52.41 C ATOM 422 NZ LYS A 27 19.507 8.473 -20.751 1.00 54.44 N ATOM 0 H LYS A 27 20.756 3.192 -17.344 1.00 35.01 H new ATOM 0 HA LYS A 27 18.384 4.941 -17.161 1.00 13.33 H new ATOM 0 HB2 LYS A 27 19.313 3.430 -19.635 1.00 22.44 H new ATOM 0 HB3 LYS A 27 17.839 4.366 -19.493 1.00 22.44 H new ATOM 0 HG2 LYS A 27 19.482 6.342 -18.879 1.00 53.25 H new ATOM 0 HG3 LYS A 27 20.686 5.334 -19.658 1.00 53.25 H new ATOM 0 HD2 LYS A 27 19.229 5.208 -21.695 1.00 63.23 H new ATOM 0 HD3 LYS A 27 18.074 6.270 -20.915 1.00 63.23 H new ATOM 0 HE2 LYS A 27 20.984 7.055 -21.296 1.00 52.41 H new ATOM 0 HE3 LYS A 27 19.772 7.351 -22.528 1.00 52.41 H new ATOM 0 HZ1 LYS A 27 20.066 9.274 -21.108 1.00 54.44 H new ATOM 0 HZ2 LYS A 27 18.497 8.651 -20.923 1.00 54.44 H new ATOM 0 HZ3 LYS A 27 19.670 8.365 -19.730 1.00 54.44 H new ATOM 436 N ASN A 28 16.832 2.827 -17.477 1.00 43.13 N ATOM 437 CA ASN A 28 16.007 1.664 -17.173 1.00 53.01 C ATOM 438 C ASN A 28 16.036 0.661 -18.322 1.00 72.22 C ATOM 439 O ASN A 28 15.814 -0.533 -18.122 1.00 55.32 O ATOM 440 CB ASN A 28 14.565 2.095 -16.894 1.00 24.34 C ATOM 441 CG ASN A 28 14.329 2.407 -15.429 1.00 2.34 C ATOM 442 OD1 ASN A 28 14.372 3.566 -15.015 1.00 55.10 O ATOM 443 ND2 ASN A 28 14.079 1.372 -14.636 1.00 30.12 N ATOM 0 H ASN A 28 16.316 3.624 -17.849 1.00 43.13 H new ATOM 0 HA ASN A 28 16.414 1.183 -16.284 1.00 53.01 H new ATOM 0 HB2 ASN A 28 14.329 2.975 -17.493 1.00 24.34 H new ATOM 0 HB3 ASN A 28 13.885 1.304 -17.208 1.00 24.34 H new ATOM 0 HD21 ASN A 28 13.913 1.521 -13.641 1.00 30.12 H new ATOM 0 HD22 ASN A 28 14.053 0.428 -15.022 1.00 30.12 H new ATOM 450 N GLU A 29 16.312 1.155 -19.525 1.00 71.11 N ATOM 451 CA GLU A 29 16.370 0.301 -20.706 1.00 12.21 C ATOM 452 C GLU A 29 17.717 -0.408 -20.799 1.00 25.53 C ATOM 453 O GLU A 29 17.910 -1.290 -21.635 1.00 63.13 O ATOM 454 CB GLU A 29 16.127 1.126 -21.971 1.00 43.35 C ATOM 455 CG GLU A 29 14.824 1.907 -21.949 1.00 31.12 C ATOM 456 CD GLU A 29 14.499 2.539 -23.288 1.00 43.51 C ATOM 457 OE1 GLU A 29 15.385 3.214 -23.855 1.00 74.21 O ATOM 458 OE2 GLU A 29 13.361 2.361 -23.769 1.00 71.20 O ATOM 0 H GLU A 29 16.499 2.141 -19.707 1.00 71.11 H new ATOM 0 HA GLU A 29 15.588 -0.453 -20.617 1.00 12.21 H new ATOM 0 HB2 GLU A 29 16.955 1.822 -22.105 1.00 43.35 H new ATOM 0 HB3 GLU A 29 16.127 0.460 -22.834 1.00 43.35 H new ATOM 0 HG2 GLU A 29 14.011 1.241 -21.659 1.00 31.12 H new ATOM 0 HG3 GLU A 29 14.885 2.686 -21.189 1.00 31.12 H new ATOM 465 N ALA A 30 18.647 -0.016 -19.933 1.00 72.43 N ATOM 466 CA ALA A 30 19.976 -0.615 -19.916 1.00 73.10 C ATOM 467 C ALA A 30 19.900 -2.113 -19.638 1.00 54.43 C ATOM 468 O ALA A 30 18.819 -2.701 -19.649 1.00 33.41 O ATOM 469 CB ALA A 30 20.851 0.072 -18.878 1.00 52.34 C ATOM 0 H ALA A 30 18.504 0.713 -19.235 1.00 72.43 H new ATOM 0 HA ALA A 30 20.422 -0.477 -20.901 1.00 73.10 H new ATOM 0 HB1 ALA A 30 21.840 -0.385 -18.876 1.00 52.34 H new ATOM 0 HB2 ALA A 30 20.941 1.131 -19.121 1.00 52.34 H new ATOM 0 HB3 ALA A 30 20.399 -0.037 -17.892 1.00 52.34 H new ATOM 475 N SER A 31 21.054 -2.723 -19.391 1.00 31.33 N ATOM 476 CA SER A 31 21.118 -4.154 -19.115 1.00 2.33 C ATOM 477 C SER A 31 21.974 -4.431 -17.883 1.00 23.33 C ATOM 478 O SER A 31 22.451 -3.508 -17.223 1.00 45.41 O ATOM 479 CB SER A 31 21.684 -4.903 -20.323 1.00 4.35 C ATOM 480 OG SER A 31 20.717 -5.015 -21.352 1.00 61.40 O ATOM 0 H SER A 31 21.957 -2.250 -19.376 1.00 31.33 H new ATOM 0 HA SER A 31 20.106 -4.508 -18.920 1.00 2.33 H new ATOM 0 HB2 SER A 31 22.562 -4.380 -20.701 1.00 4.35 H new ATOM 0 HB3 SER A 31 22.012 -5.897 -20.018 1.00 4.35 H new ATOM 0 HG SER A 31 20.775 -5.904 -21.760 1.00 61.40 H new ATOM 486 N PHE A 32 22.164 -5.711 -17.578 1.00 45.23 N ATOM 487 CA PHE A 32 22.962 -6.112 -16.425 1.00 40.12 C ATOM 488 C PHE A 32 24.368 -6.523 -16.853 1.00 1.52 C ATOM 489 O PHE A 32 25.263 -6.671 -16.021 1.00 65.41 O ATOM 490 CB PHE A 32 22.284 -7.267 -15.686 1.00 74.22 C ATOM 491 CG PHE A 32 21.316 -6.817 -14.629 1.00 50.04 C ATOM 492 CD1 PHE A 32 20.610 -5.634 -14.777 1.00 1.24 C ATOM 493 CD2 PHE A 32 21.112 -7.577 -13.489 1.00 71.01 C ATOM 494 CE1 PHE A 32 19.720 -5.217 -13.805 1.00 52.12 C ATOM 495 CE2 PHE A 32 20.222 -7.165 -12.514 1.00 64.44 C ATOM 496 CZ PHE A 32 19.525 -5.984 -12.673 1.00 73.13 C ATOM 0 H PHE A 32 21.776 -6.488 -18.113 1.00 45.23 H new ATOM 0 HA PHE A 32 23.041 -5.257 -15.754 1.00 40.12 H new ATOM 0 HB2 PHE A 32 21.757 -7.890 -16.408 1.00 74.22 H new ATOM 0 HB3 PHE A 32 23.049 -7.891 -15.225 1.00 74.22 H new ATOM 0 HD1 PHE A 32 20.757 -5.031 -15.661 1.00 1.24 H new ATOM 0 HD2 PHE A 32 21.654 -8.502 -13.360 1.00 71.01 H new ATOM 0 HE1 PHE A 32 19.177 -4.292 -13.931 1.00 52.12 H new ATOM 0 HE2 PHE A 32 20.072 -7.766 -11.629 1.00 64.44 H new ATOM 0 HZ PHE A 32 18.829 -5.660 -11.914 1.00 73.13 H new ATOM 506 N VAL A 33 24.554 -6.705 -18.156 1.00 42.23 N ATOM 507 CA VAL A 33 25.851 -7.098 -18.696 1.00 15.22 C ATOM 508 C VAL A 33 25.970 -6.720 -20.168 1.00 24.21 C ATOM 509 O VAL A 33 26.992 -6.187 -20.601 1.00 52.24 O ATOM 510 CB VAL A 33 26.085 -8.613 -18.545 1.00 4.51 C ATOM 511 CG1 VAL A 33 24.923 -9.395 -19.137 1.00 0.11 C ATOM 512 CG2 VAL A 33 27.398 -9.015 -19.199 1.00 62.53 C ATOM 0 H VAL A 33 23.823 -6.587 -18.858 1.00 42.23 H new ATOM 0 HA VAL A 33 26.609 -6.562 -18.124 1.00 15.22 H new ATOM 0 HB VAL A 33 26.146 -8.850 -17.483 1.00 4.51 H new ATOM 0 HG11 VAL A 33 25.107 -10.463 -19.021 1.00 0.11 H new ATOM 0 HG12 VAL A 33 24.002 -9.127 -18.619 1.00 0.11 H new ATOM 0 HG13 VAL A 33 24.826 -9.157 -20.196 1.00 0.11 H new ATOM 0 HG21 VAL A 33 27.548 -10.088 -19.083 1.00 62.53 H new ATOM 0 HG22 VAL A 33 27.368 -8.765 -20.259 1.00 62.53 H new ATOM 0 HG23 VAL A 33 28.220 -8.480 -18.723 1.00 62.53 H new ATOM 522 N ASP A 34 24.920 -7.000 -20.932 1.00 3.20 N ATOM 523 CA ASP A 34 24.907 -6.688 -22.357 1.00 34.05 C ATOM 524 C ASP A 34 25.189 -5.207 -22.591 1.00 73.45 C ATOM 525 O ASP A 34 25.699 -4.822 -23.643 1.00 41.24 O ATOM 526 CB ASP A 34 23.558 -7.067 -22.970 1.00 53.42 C ATOM 527 CG ASP A 34 23.570 -6.995 -24.485 1.00 22.45 C ATOM 528 OD1 ASP A 34 23.665 -5.874 -25.024 1.00 45.45 O ATOM 529 OD2 ASP A 34 23.484 -8.061 -25.130 1.00 31.42 O ATOM 0 H ASP A 34 24.067 -7.442 -20.589 1.00 3.20 H new ATOM 0 HA ASP A 34 25.693 -7.269 -22.840 1.00 34.05 H new ATOM 0 HB2 ASP A 34 23.292 -8.077 -22.659 1.00 53.42 H new ATOM 0 HB3 ASP A 34 22.787 -6.401 -22.584 1.00 53.42 H new ATOM 534 N ASP A 35 24.852 -4.383 -21.606 1.00 1.31 N ATOM 535 CA ASP A 35 25.069 -2.944 -21.705 1.00 61.00 C ATOM 536 C ASP A 35 26.166 -2.492 -20.746 1.00 33.54 C ATOM 537 O ASP A 35 27.200 -1.975 -21.168 1.00 4.41 O ATOM 538 CB ASP A 35 23.772 -2.190 -21.408 1.00 41.53 C ATOM 539 CG ASP A 35 23.767 -0.793 -21.998 1.00 51.12 C ATOM 540 OD1 ASP A 35 24.715 -0.459 -22.739 1.00 54.13 O ATOM 541 OD2 ASP A 35 22.816 -0.034 -21.718 1.00 14.40 O ATOM 0 H ASP A 35 24.427 -4.686 -20.730 1.00 1.31 H new ATOM 0 HA ASP A 35 25.386 -2.719 -22.723 1.00 61.00 H new ATOM 0 HB2 ASP A 35 22.928 -2.753 -21.807 1.00 41.53 H new ATOM 0 HB3 ASP A 35 23.631 -2.126 -20.329 1.00 41.53 H new ATOM 546 N LEU A 36 25.932 -2.691 -19.453 1.00 2.00 N ATOM 547 CA LEU A 36 26.900 -2.303 -18.432 1.00 71.34 C ATOM 548 C LEU A 36 28.284 -2.858 -18.755 1.00 54.13 C ATOM 549 O LEU A 36 29.227 -2.103 -18.987 1.00 24.41 O ATOM 550 CB LEU A 36 26.447 -2.799 -17.058 1.00 23.21 C ATOM 551 CG LEU A 36 25.703 -1.784 -16.190 1.00 31.12 C ATOM 552 CD1 LEU A 36 26.569 -0.559 -15.940 1.00 54.10 C ATOM 553 CD2 LEU A 36 24.388 -1.386 -16.844 1.00 12.13 C ATOM 0 H LEU A 36 25.081 -3.118 -19.087 1.00 2.00 H new ATOM 0 HA LEU A 36 26.960 -1.215 -18.417 1.00 71.34 H new ATOM 0 HB2 LEU A 36 25.802 -3.666 -17.201 1.00 23.21 H new ATOM 0 HB3 LEU A 36 27.325 -3.141 -16.510 1.00 23.21 H new ATOM 0 HG LEU A 36 25.482 -2.249 -15.229 1.00 31.12 H new ATOM 0 HD11 LEU A 36 26.023 0.152 -15.321 1.00 54.10 H new ATOM 0 HD12 LEU A 36 27.484 -0.858 -15.428 1.00 54.10 H new ATOM 0 HD13 LEU A 36 26.822 -0.092 -16.892 1.00 54.10 H new ATOM 0 HD21 LEU A 36 23.872 -0.663 -16.212 1.00 12.13 H new ATOM 0 HD22 LEU A 36 24.587 -0.940 -17.819 1.00 12.13 H new ATOM 0 HD23 LEU A 36 23.762 -2.270 -16.970 1.00 12.13 H new ATOM 565 N GLY A 37 28.396 -4.183 -18.771 1.00 0.30 N ATOM 566 CA GLY A 37 29.667 -4.816 -19.069 1.00 4.11 C ATOM 567 C GLY A 37 30.082 -5.813 -18.005 1.00 73.33 C ATOM 568 O GLY A 37 31.163 -6.396 -18.079 1.00 0.01 O ATOM 0 H GLY A 37 27.629 -4.829 -18.583 1.00 0.30 H new ATOM 0 HA2 GLY A 37 29.600 -5.323 -20.031 1.00 4.11 H new ATOM 0 HA3 GLY A 37 30.437 -4.050 -19.165 1.00 4.11 H new ATOM 572 N ALA A 38 29.220 -6.009 -17.012 1.00 62.24 N ATOM 573 CA ALA A 38 29.502 -6.943 -15.929 1.00 44.03 C ATOM 574 C ALA A 38 29.681 -8.361 -16.460 1.00 32.40 C ATOM 575 O ALA A 38 29.802 -8.572 -17.667 1.00 24.22 O ATOM 576 CB ALA A 38 28.389 -6.901 -14.893 1.00 22.20 C ATOM 0 H ALA A 38 28.321 -5.533 -16.936 1.00 62.24 H new ATOM 0 HA ALA A 38 30.436 -6.641 -15.455 1.00 44.03 H new ATOM 0 HB1 ALA A 38 28.613 -7.603 -14.090 1.00 22.20 H new ATOM 0 HB2 ALA A 38 28.311 -5.894 -14.483 1.00 22.20 H new ATOM 0 HB3 ALA A 38 27.444 -7.175 -15.362 1.00 22.20 H new ATOM 582 N ASP A 39 29.696 -9.330 -15.551 1.00 64.33 N ATOM 583 CA ASP A 39 29.860 -10.730 -15.928 1.00 52.52 C ATOM 584 C ASP A 39 28.802 -11.600 -15.257 1.00 24.33 C ATOM 585 O ASP A 39 27.810 -11.979 -15.878 1.00 71.44 O ATOM 586 CB ASP A 39 31.258 -11.222 -15.551 1.00 50.52 C ATOM 587 CG ASP A 39 31.393 -12.727 -15.669 1.00 3.11 C ATOM 588 OD1 ASP A 39 31.521 -13.223 -16.807 1.00 61.44 O ATOM 589 OD2 ASP A 39 31.371 -13.409 -14.623 1.00 14.34 O ATOM 0 H ASP A 39 29.597 -9.172 -14.548 1.00 64.33 H new ATOM 0 HA ASP A 39 29.736 -10.807 -17.008 1.00 52.52 H new ATOM 0 HB2 ASP A 39 31.995 -10.742 -16.195 1.00 50.52 H new ATOM 0 HB3 ASP A 39 31.483 -10.919 -14.529 1.00 50.52 H new ATOM 594 N SER A 40 29.023 -11.914 -13.984 1.00 72.41 N ATOM 595 CA SER A 40 28.091 -12.745 -13.229 1.00 45.34 C ATOM 596 C SER A 40 27.947 -12.236 -11.798 1.00 40.13 C ATOM 597 O SER A 40 26.840 -12.157 -11.264 1.00 21.14 O ATOM 598 CB SER A 40 28.565 -14.200 -13.220 1.00 54.41 C ATOM 599 OG SER A 40 28.150 -14.863 -12.039 1.00 32.24 O ATOM 0 H SER A 40 29.838 -11.606 -13.454 1.00 72.41 H new ATOM 0 HA SER A 40 27.117 -12.691 -13.715 1.00 45.34 H new ATOM 0 HB2 SER A 40 28.168 -14.721 -14.092 1.00 54.41 H new ATOM 0 HB3 SER A 40 29.652 -14.232 -13.296 1.00 54.41 H new ATOM 0 HG SER A 40 28.464 -15.791 -12.058 1.00 32.24 H new ATOM 605 N LEU A 41 29.073 -11.892 -11.183 1.00 50.32 N ATOM 606 CA LEU A 41 29.074 -11.390 -9.813 1.00 51.14 C ATOM 607 C LEU A 41 28.117 -10.212 -9.664 1.00 55.14 C ATOM 608 O LEU A 41 27.570 -9.975 -8.587 1.00 24.44 O ATOM 609 CB LEU A 41 30.487 -10.969 -9.405 1.00 15.34 C ATOM 610 CG LEU A 41 31.323 -12.030 -8.688 1.00 55.23 C ATOM 611 CD1 LEU A 41 30.730 -12.344 -7.323 1.00 62.23 C ATOM 612 CD2 LEU A 41 31.420 -13.292 -9.533 1.00 12.10 C ATOM 0 H LEU A 41 29.997 -11.951 -11.611 1.00 50.32 H new ATOM 0 HA LEU A 41 28.737 -12.193 -9.157 1.00 51.14 H new ATOM 0 HB2 LEU A 41 31.024 -10.656 -10.300 1.00 15.34 H new ATOM 0 HB3 LEU A 41 30.411 -10.096 -8.757 1.00 15.34 H new ATOM 0 HG LEU A 41 32.329 -11.636 -8.542 1.00 55.23 H new ATOM 0 HD11 LEU A 41 31.338 -13.101 -6.828 1.00 62.23 H new ATOM 0 HD12 LEU A 41 30.713 -11.438 -6.717 1.00 62.23 H new ATOM 0 HD13 LEU A 41 29.714 -12.718 -7.445 1.00 62.23 H new ATOM 0 HD21 LEU A 41 32.018 -14.036 -9.008 1.00 12.10 H new ATOM 0 HD22 LEU A 41 30.420 -13.689 -9.710 1.00 12.10 H new ATOM 0 HD23 LEU A 41 31.891 -13.056 -10.487 1.00 12.10 H new ATOM 624 N ASP A 42 27.916 -9.478 -10.753 1.00 44.32 N ATOM 625 CA ASP A 42 27.022 -8.326 -10.745 1.00 10.11 C ATOM 626 C ASP A 42 25.567 -8.768 -10.625 1.00 60.55 C ATOM 627 O ASP A 42 24.872 -8.407 -9.675 1.00 62.00 O ATOM 628 CB ASP A 42 27.213 -7.496 -12.015 1.00 51.13 C ATOM 629 CG ASP A 42 26.085 -6.507 -12.236 1.00 72.51 C ATOM 630 OD1 ASP A 42 25.714 -5.805 -11.272 1.00 42.54 O ATOM 631 OD2 ASP A 42 25.573 -6.436 -13.373 1.00 30.22 O ATOM 0 H ASP A 42 28.360 -9.660 -11.653 1.00 44.32 H new ATOM 0 HA ASP A 42 27.269 -7.712 -9.879 1.00 10.11 H new ATOM 0 HB2 ASP A 42 28.158 -6.957 -11.954 1.00 51.13 H new ATOM 0 HB3 ASP A 42 27.281 -8.163 -12.874 1.00 51.13 H new ATOM 636 N THR A 43 25.111 -9.553 -11.597 1.00 54.00 N ATOM 637 CA THR A 43 23.738 -10.043 -11.602 1.00 61.14 C ATOM 638 C THR A 43 23.360 -10.633 -10.249 1.00 14.14 C ATOM 639 O THR A 43 22.332 -10.278 -9.671 1.00 4.34 O ATOM 640 CB THR A 43 23.527 -11.111 -12.692 1.00 23.30 C ATOM 641 OG1 THR A 43 24.668 -11.974 -12.759 1.00 61.14 O ATOM 642 CG2 THR A 43 23.295 -10.462 -14.048 1.00 61.31 C ATOM 0 H THR A 43 25.672 -9.863 -12.390 1.00 54.00 H new ATOM 0 HA THR A 43 23.098 -9.187 -11.814 1.00 61.14 H new ATOM 0 HB THR A 43 22.645 -11.695 -12.431 1.00 23.30 H new ATOM 0 HG1 THR A 43 25.249 -11.809 -11.987 1.00 61.14 H new ATOM 0 HG21 THR A 43 23.149 -11.236 -14.801 1.00 61.31 H new ATOM 0 HG22 THR A 43 22.409 -9.829 -14.001 1.00 61.31 H new ATOM 0 HG23 THR A 43 24.161 -9.856 -14.314 1.00 61.31 H new ATOM 650 N VAL A 44 24.196 -11.536 -9.747 1.00 3.22 N ATOM 651 CA VAL A 44 23.950 -12.174 -8.459 1.00 41.12 C ATOM 652 C VAL A 44 23.957 -11.151 -7.329 1.00 23.13 C ATOM 653 O VAL A 44 23.168 -11.245 -6.390 1.00 13.54 O ATOM 654 CB VAL A 44 25.001 -13.260 -8.161 1.00 11.11 C ATOM 655 CG1 VAL A 44 24.885 -14.403 -9.158 1.00 4.03 C ATOM 656 CG2 VAL A 44 26.401 -12.665 -8.179 1.00 31.20 C ATOM 0 H VAL A 44 25.050 -11.842 -10.213 1.00 3.22 H new ATOM 0 HA VAL A 44 22.966 -12.638 -8.518 1.00 41.12 H new ATOM 0 HB VAL A 44 24.814 -13.659 -7.164 1.00 11.11 H new ATOM 0 HG11 VAL A 44 25.635 -15.161 -8.932 1.00 4.03 H new ATOM 0 HG12 VAL A 44 23.891 -14.845 -9.091 1.00 4.03 H new ATOM 0 HG13 VAL A 44 25.045 -14.023 -10.167 1.00 4.03 H new ATOM 0 HG21 VAL A 44 27.131 -13.446 -7.967 1.00 31.20 H new ATOM 0 HG22 VAL A 44 26.602 -12.238 -9.161 1.00 31.20 H new ATOM 0 HG23 VAL A 44 26.474 -11.884 -7.422 1.00 31.20 H new ATOM 666 N GLU A 45 24.854 -10.175 -7.427 1.00 4.12 N ATOM 667 CA GLU A 45 24.964 -9.134 -6.411 1.00 60.33 C ATOM 668 C GLU A 45 23.657 -8.357 -6.286 1.00 10.32 C ATOM 669 O GLU A 45 23.105 -8.221 -5.193 1.00 55.22 O ATOM 670 CB GLU A 45 26.109 -8.178 -6.751 1.00 52.41 C ATOM 671 CG GLU A 45 26.226 -7.004 -5.793 1.00 25.53 C ATOM 672 CD GLU A 45 26.679 -7.426 -4.408 1.00 13.41 C ATOM 673 OE1 GLU A 45 27.902 -7.565 -4.201 1.00 65.21 O ATOM 674 OE2 GLU A 45 25.810 -7.616 -3.532 1.00 12.24 O ATOM 0 H GLU A 45 25.515 -10.083 -8.199 1.00 4.12 H new ATOM 0 HA GLU A 45 25.174 -9.614 -5.455 1.00 60.33 H new ATOM 0 HB2 GLU A 45 27.047 -8.733 -6.749 1.00 52.41 H new ATOM 0 HB3 GLU A 45 25.966 -7.798 -7.762 1.00 52.41 H new ATOM 0 HG2 GLU A 45 26.932 -6.279 -6.197 1.00 25.53 H new ATOM 0 HG3 GLU A 45 25.261 -6.502 -5.719 1.00 25.53 H new ATOM 681 N LEU A 46 23.168 -7.848 -7.411 1.00 41.42 N ATOM 682 CA LEU A 46 21.926 -7.083 -7.429 1.00 1.43 C ATOM 683 C LEU A 46 20.773 -7.904 -6.862 1.00 34.01 C ATOM 684 O LEU A 46 20.017 -7.430 -6.013 1.00 63.11 O ATOM 685 CB LEU A 46 21.598 -6.638 -8.855 1.00 60.12 C ATOM 686 CG LEU A 46 22.715 -5.911 -9.605 1.00 72.43 C ATOM 687 CD1 LEU A 46 22.173 -5.257 -10.867 1.00 32.33 C ATOM 688 CD2 LEU A 46 23.375 -4.876 -8.707 1.00 12.33 C ATOM 0 H LEU A 46 23.613 -7.951 -8.323 1.00 41.42 H new ATOM 0 HA LEU A 46 22.062 -6.201 -6.803 1.00 1.43 H new ATOM 0 HB2 LEU A 46 21.313 -7.518 -9.432 1.00 60.12 H new ATOM 0 HB3 LEU A 46 20.727 -5.984 -8.819 1.00 60.12 H new ATOM 0 HG LEU A 46 23.468 -6.644 -9.895 1.00 72.43 H new ATOM 0 HD11 LEU A 46 22.982 -4.744 -11.387 1.00 32.33 H new ATOM 0 HD12 LEU A 46 21.748 -6.020 -11.519 1.00 32.33 H new ATOM 0 HD13 LEU A 46 21.400 -4.537 -10.600 1.00 32.33 H new ATOM 0 HD21 LEU A 46 24.167 -4.369 -9.258 1.00 12.33 H new ATOM 0 HD22 LEU A 46 22.632 -4.146 -8.386 1.00 12.33 H new ATOM 0 HD23 LEU A 46 23.800 -5.370 -7.833 1.00 12.33 H new ATOM 700 N VAL A 47 20.644 -9.139 -7.336 1.00 33.44 N ATOM 701 CA VAL A 47 19.584 -10.029 -6.874 1.00 5.42 C ATOM 702 C VAL A 47 19.550 -10.098 -5.351 1.00 64.43 C ATOM 703 O VAL A 47 18.493 -9.960 -4.737 1.00 60.11 O ATOM 704 CB VAL A 47 19.760 -11.451 -7.438 1.00 51.12 C ATOM 705 CG1 VAL A 47 18.669 -12.372 -6.913 1.00 62.13 C ATOM 706 CG2 VAL A 47 19.760 -11.424 -8.959 1.00 40.22 C ATOM 0 H VAL A 47 21.260 -9.546 -8.040 1.00 33.44 H new ATOM 0 HA VAL A 47 18.643 -9.616 -7.237 1.00 5.42 H new ATOM 0 HB VAL A 47 20.722 -11.840 -7.104 1.00 51.12 H new ATOM 0 HG11 VAL A 47 18.809 -13.373 -7.322 1.00 62.13 H new ATOM 0 HG12 VAL A 47 18.721 -12.414 -5.825 1.00 62.13 H new ATOM 0 HG13 VAL A 47 17.694 -11.990 -7.215 1.00 62.13 H new ATOM 0 HG21 VAL A 47 19.885 -12.437 -9.341 1.00 40.22 H new ATOM 0 HG22 VAL A 47 18.814 -11.016 -9.316 1.00 40.22 H new ATOM 0 HG23 VAL A 47 20.581 -10.799 -9.312 1.00 40.22 H new ATOM 716 N MET A 48 20.715 -10.313 -4.748 1.00 70.41 N ATOM 717 CA MET A 48 20.819 -10.400 -3.296 1.00 54.20 C ATOM 718 C MET A 48 20.391 -9.090 -2.642 1.00 2.14 C ATOM 719 O MET A 48 19.621 -9.087 -1.682 1.00 75.23 O ATOM 720 CB MET A 48 22.251 -10.745 -2.885 1.00 63.12 C ATOM 721 CG MET A 48 22.769 -12.032 -3.508 1.00 14.23 C ATOM 722 SD MET A 48 24.558 -12.024 -3.733 1.00 34.01 S ATOM 723 CE MET A 48 24.939 -13.754 -3.471 1.00 62.44 C ATOM 0 H MET A 48 21.600 -10.430 -5.242 1.00 70.41 H new ATOM 0 HA MET A 48 20.151 -11.191 -2.955 1.00 54.20 H new ATOM 0 HB2 MET A 48 22.909 -9.924 -3.168 1.00 63.12 H new ATOM 0 HB3 MET A 48 22.298 -10.832 -1.799 1.00 63.12 H new ATOM 0 HG2 MET A 48 22.490 -12.875 -2.876 1.00 14.23 H new ATOM 0 HG3 MET A 48 22.286 -12.184 -4.473 1.00 14.23 H new ATOM 0 HE1 MET A 48 26.012 -13.910 -3.577 1.00 62.44 H new ATOM 0 HE2 MET A 48 24.627 -14.048 -2.469 1.00 62.44 H new ATOM 0 HE3 MET A 48 24.410 -14.359 -4.207 1.00 62.44 H new ATOM 733 N ALA A 49 20.897 -7.979 -3.167 1.00 1.35 N ATOM 734 CA ALA A 49 20.566 -6.663 -2.634 1.00 50.21 C ATOM 735 C ALA A 49 19.058 -6.435 -2.633 1.00 2.51 C ATOM 736 O ALA A 49 18.531 -5.705 -1.792 1.00 30.43 O ATOM 737 CB ALA A 49 21.266 -5.577 -3.438 1.00 54.10 C ATOM 0 H ALA A 49 21.538 -7.964 -3.961 1.00 1.35 H new ATOM 0 HA ALA A 49 20.915 -6.617 -1.602 1.00 50.21 H new ATOM 0 HB1 ALA A 49 21.010 -4.600 -3.029 1.00 54.10 H new ATOM 0 HB2 ALA A 49 22.345 -5.722 -3.383 1.00 54.10 H new ATOM 0 HB3 ALA A 49 20.945 -5.631 -4.478 1.00 54.10 H new ATOM 743 N LEU A 50 18.369 -7.061 -3.580 1.00 61.11 N ATOM 744 CA LEU A 50 16.921 -6.926 -3.689 1.00 13.31 C ATOM 745 C LEU A 50 16.215 -7.730 -2.601 1.00 44.24 C ATOM 746 O LEU A 50 15.412 -7.191 -1.841 1.00 71.01 O ATOM 747 CB LEU A 50 16.448 -7.388 -5.068 1.00 53.44 C ATOM 748 CG LEU A 50 16.799 -6.470 -6.240 1.00 73.22 C ATOM 749 CD1 LEU A 50 16.459 -7.140 -7.563 1.00 1.13 C ATOM 750 CD2 LEU A 50 16.072 -5.139 -6.112 1.00 72.50 C ATOM 0 H LEU A 50 18.790 -7.667 -4.284 1.00 61.11 H new ATOM 0 HA LEU A 50 16.669 -5.874 -3.559 1.00 13.31 H new ATOM 0 HB2 LEU A 50 16.872 -8.373 -5.264 1.00 53.44 H new ATOM 0 HB3 LEU A 50 15.365 -7.507 -5.037 1.00 53.44 H new ATOM 0 HG LEU A 50 17.872 -6.279 -6.218 1.00 73.22 H new ATOM 0 HD11 LEU A 50 16.715 -6.472 -8.385 1.00 1.13 H new ATOM 0 HD12 LEU A 50 17.025 -8.067 -7.658 1.00 1.13 H new ATOM 0 HD13 LEU A 50 15.392 -7.362 -7.595 1.00 1.13 H new ATOM 0 HD21 LEU A 50 16.334 -4.499 -6.954 1.00 72.50 H new ATOM 0 HD22 LEU A 50 14.996 -5.311 -6.108 1.00 72.50 H new ATOM 0 HD23 LEU A 50 16.365 -4.652 -5.182 1.00 72.50 H new ATOM 762 N GLU A 51 16.524 -9.021 -2.533 1.00 71.11 N ATOM 763 CA GLU A 51 15.920 -9.898 -1.537 1.00 70.31 C ATOM 764 C GLU A 51 16.318 -9.475 -0.126 1.00 53.41 C ATOM 765 O GLU A 51 15.708 -9.899 0.855 1.00 50.31 O ATOM 766 CB GLU A 51 16.338 -11.350 -1.783 1.00 4.54 C ATOM 767 CG GLU A 51 17.843 -11.542 -1.872 1.00 72.42 C ATOM 768 CD GLU A 51 18.264 -12.976 -1.614 1.00 34.11 C ATOM 769 OE1 GLU A 51 17.414 -13.880 -1.757 1.00 53.44 O ATOM 770 OE2 GLU A 51 19.444 -13.194 -1.268 1.00 72.33 O ATOM 0 H GLU A 51 17.188 -9.482 -3.155 1.00 71.11 H new ATOM 0 HA GLU A 51 14.837 -9.818 -1.629 1.00 70.31 H new ATOM 0 HB2 GLU A 51 15.947 -11.973 -0.979 1.00 4.54 H new ATOM 0 HB3 GLU A 51 15.880 -11.700 -2.708 1.00 4.54 H new ATOM 0 HG2 GLU A 51 18.186 -11.239 -2.861 1.00 72.42 H new ATOM 0 HG3 GLU A 51 18.332 -10.888 -1.150 1.00 72.42 H new ATOM 777 N GLU A 52 17.345 -8.636 -0.034 1.00 10.21 N ATOM 778 CA GLU A 52 17.825 -8.156 1.257 1.00 70.02 C ATOM 779 C GLU A 52 17.223 -6.794 1.589 1.00 42.42 C ATOM 780 O GLU A 52 16.603 -6.617 2.637 1.00 52.14 O ATOM 781 CB GLU A 52 19.352 -8.065 1.256 1.00 44.40 C ATOM 782 CG GLU A 52 20.043 -9.407 1.431 1.00 55.02 C ATOM 783 CD GLU A 52 21.533 -9.269 1.671 1.00 24.54 C ATOM 784 OE1 GLU A 52 21.993 -8.135 1.920 1.00 34.45 O ATOM 785 OE2 GLU A 52 22.241 -10.297 1.611 1.00 74.13 O ATOM 0 H GLU A 52 17.860 -8.275 -0.837 1.00 10.21 H new ATOM 0 HA GLU A 52 17.511 -8.868 2.020 1.00 70.02 H new ATOM 0 HB2 GLU A 52 19.680 -7.617 0.318 1.00 44.40 H new ATOM 0 HB3 GLU A 52 19.668 -7.396 2.057 1.00 44.40 H new ATOM 0 HG2 GLU A 52 19.591 -9.937 2.269 1.00 55.02 H new ATOM 0 HG3 GLU A 52 19.877 -10.016 0.542 1.00 55.02 H new ATOM 792 N GLU A 53 17.412 -5.834 0.688 1.00 25.22 N ATOM 793 CA GLU A 53 16.890 -4.487 0.886 1.00 34.54 C ATOM 794 C GLU A 53 15.367 -4.475 0.789 1.00 72.20 C ATOM 795 O GLU A 53 14.679 -4.016 1.701 1.00 51.22 O ATOM 796 CB GLU A 53 17.485 -3.528 -0.146 1.00 64.10 C ATOM 797 CG GLU A 53 18.986 -3.339 -0.006 1.00 5.42 C ATOM 798 CD GLU A 53 19.389 -2.876 1.381 1.00 1.10 C ATOM 799 OE1 GLU A 53 19.312 -1.658 1.645 1.00 52.40 O ATOM 800 OE2 GLU A 53 19.781 -3.731 2.202 1.00 64.22 O ATOM 0 H GLU A 53 17.922 -5.965 -0.185 1.00 25.22 H new ATOM 0 HA GLU A 53 17.177 -4.157 1.885 1.00 34.54 H new ATOM 0 HB2 GLU A 53 17.266 -3.902 -1.146 1.00 64.10 H new ATOM 0 HB3 GLU A 53 16.995 -2.559 -0.054 1.00 64.10 H new ATOM 0 HG2 GLU A 53 19.489 -4.279 -0.232 1.00 5.42 H new ATOM 0 HG3 GLU A 53 19.327 -2.610 -0.742 1.00 5.42 H new ATOM 807 N PHE A 54 14.847 -4.983 -0.324 1.00 11.13 N ATOM 808 CA PHE A 54 13.406 -5.029 -0.542 1.00 71.42 C ATOM 809 C PHE A 54 12.785 -6.225 0.175 1.00 3.54 C ATOM 810 O PHE A 54 11.573 -6.433 0.123 1.00 10.52 O ATOM 811 CB PHE A 54 13.098 -5.103 -2.039 1.00 52.22 C ATOM 812 CG PHE A 54 13.092 -3.762 -2.716 1.00 64.25 C ATOM 813 CD1 PHE A 54 11.985 -2.933 -2.633 1.00 21.52 C ATOM 814 CD2 PHE A 54 14.195 -3.330 -3.436 1.00 73.54 C ATOM 815 CE1 PHE A 54 11.977 -1.700 -3.256 1.00 4.22 C ATOM 816 CE2 PHE A 54 14.193 -2.098 -4.061 1.00 51.52 C ATOM 817 CZ PHE A 54 13.083 -1.281 -3.970 1.00 0.22 C ATOM 0 H PHE A 54 15.402 -5.368 -1.088 1.00 11.13 H new ATOM 0 HA PHE A 54 12.973 -4.117 -0.133 1.00 71.42 H new ATOM 0 HB2 PHE A 54 13.837 -5.742 -2.523 1.00 52.22 H new ATOM 0 HB3 PHE A 54 12.126 -5.576 -2.179 1.00 52.22 H new ATOM 0 HD1 PHE A 54 11.118 -3.254 -2.075 1.00 21.52 H new ATOM 0 HD2 PHE A 54 15.066 -3.964 -3.509 1.00 73.54 H new ATOM 0 HE1 PHE A 54 11.107 -1.064 -3.185 1.00 4.22 H new ATOM 0 HE2 PHE A 54 15.058 -1.774 -4.620 1.00 51.52 H new ATOM 0 HZ PHE A 54 13.080 -0.317 -4.456 1.00 0.22 H new ATOM 827 N ASP A 55 13.625 -7.007 0.844 1.00 3.31 N ATOM 828 CA ASP A 55 13.161 -8.181 1.573 1.00 34.21 C ATOM 829 C ASP A 55 12.294 -9.066 0.682 1.00 25.21 C ATOM 830 O ASP A 55 11.328 -9.675 1.143 1.00 4.05 O ATOM 831 CB ASP A 55 12.373 -7.759 2.814 1.00 55.30 C ATOM 832 CG ASP A 55 13.242 -7.065 3.844 1.00 24.50 C ATOM 833 OD1 ASP A 55 14.374 -7.538 4.079 1.00 41.12 O ATOM 834 OD2 ASP A 55 12.791 -6.051 4.416 1.00 2.10 O ATOM 0 H ASP A 55 14.631 -6.849 0.896 1.00 3.31 H new ATOM 0 HA ASP A 55 14.035 -8.754 1.884 1.00 34.21 H new ATOM 0 HB2 ASP A 55 11.564 -7.092 2.517 1.00 55.30 H new ATOM 0 HB3 ASP A 55 11.913 -8.638 3.265 1.00 55.30 H new ATOM 839 N THR A 56 12.646 -9.133 -0.598 1.00 51.44 N ATOM 840 CA THR A 56 11.900 -9.941 -1.555 1.00 1.23 C ATOM 841 C THR A 56 12.483 -11.345 -1.661 1.00 24.23 C ATOM 842 O THR A 56 13.538 -11.633 -1.095 1.00 53.13 O ATOM 843 CB THR A 56 11.893 -9.293 -2.952 1.00 72.33 C ATOM 844 OG1 THR A 56 13.236 -9.084 -3.402 1.00 60.55 O ATOM 845 CG2 THR A 56 11.148 -7.967 -2.931 1.00 31.15 C ATOM 0 H THR A 56 13.443 -8.637 -0.996 1.00 51.44 H new ATOM 0 HA THR A 56 10.876 -10.003 -1.186 1.00 1.23 H new ATOM 0 HB THR A 56 11.381 -9.968 -3.638 1.00 72.33 H new ATOM 0 HG1 THR A 56 13.223 -8.673 -4.292 1.00 60.55 H new ATOM 0 HG21 THR A 56 11.157 -7.529 -3.929 1.00 31.15 H new ATOM 0 HG22 THR A 56 10.118 -8.134 -2.617 1.00 31.15 H new ATOM 0 HG23 THR A 56 11.635 -7.287 -2.232 1.00 31.15 H new ATOM 853 N GLU A 57 11.791 -12.215 -2.389 1.00 71.32 N ATOM 854 CA GLU A 57 12.242 -13.590 -2.568 1.00 70.34 C ATOM 855 C GLU A 57 12.600 -13.860 -4.027 1.00 50.31 C ATOM 856 O GLU A 57 11.770 -14.334 -4.803 1.00 51.44 O ATOM 857 CB GLU A 57 11.160 -14.570 -2.108 1.00 41.51 C ATOM 858 CG GLU A 57 10.877 -14.506 -0.617 1.00 32.54 C ATOM 859 CD GLU A 57 11.833 -15.359 0.195 1.00 35.03 C ATOM 860 OE1 GLU A 57 12.673 -16.054 -0.414 1.00 14.52 O ATOM 861 OE2 GLU A 57 11.740 -15.331 1.440 1.00 11.05 O ATOM 0 H GLU A 57 10.916 -11.992 -2.864 1.00 71.32 H new ATOM 0 HA GLU A 57 13.135 -13.734 -1.960 1.00 70.34 H new ATOM 0 HB2 GLU A 57 10.239 -14.364 -2.653 1.00 41.51 H new ATOM 0 HB3 GLU A 57 11.465 -15.584 -2.368 1.00 41.51 H new ATOM 0 HG2 GLU A 57 10.945 -13.471 -0.282 1.00 32.54 H new ATOM 0 HG3 GLU A 57 9.855 -14.835 -0.430 1.00 32.54 H new ATOM 868 N ILE A 58 13.840 -13.554 -4.392 1.00 5.21 N ATOM 869 CA ILE A 58 14.309 -13.763 -5.756 1.00 74.13 C ATOM 870 C ILE A 58 15.352 -14.874 -5.815 1.00 51.32 C ATOM 871 O ILE A 58 16.554 -14.626 -5.905 1.00 44.53 O ATOM 872 CB ILE A 58 14.912 -12.476 -6.348 1.00 53.43 C ATOM 873 CG1 ILE A 58 13.879 -11.347 -6.330 1.00 34.12 C ATOM 874 CG2 ILE A 58 15.406 -12.725 -7.765 1.00 61.23 C ATOM 875 CD1 ILE A 58 12.611 -11.676 -7.086 1.00 75.30 C ATOM 0 H ILE A 58 14.539 -13.160 -3.762 1.00 5.21 H new ATOM 0 HA ILE A 58 13.440 -14.052 -6.347 1.00 74.13 H new ATOM 0 HB ILE A 58 15.762 -12.176 -5.735 1.00 53.43 H new ATOM 0 HG12 ILE A 58 13.626 -11.114 -5.296 1.00 34.12 H new ATOM 0 HG13 ILE A 58 14.326 -10.450 -6.759 1.00 34.12 H new ATOM 0 HG21 ILE A 58 15.829 -11.806 -8.170 1.00 61.23 H new ATOM 0 HG22 ILE A 58 16.170 -13.502 -7.753 1.00 61.23 H new ATOM 0 HG23 ILE A 58 14.573 -13.046 -8.390 1.00 61.23 H new ATOM 0 HD11 ILE A 58 11.925 -10.831 -7.031 1.00 75.30 H new ATOM 0 HD12 ILE A 58 12.852 -11.880 -8.129 1.00 75.30 H new ATOM 0 HD13 ILE A 58 12.141 -12.554 -6.644 1.00 75.30 H new ATOM 887 N PRO A 59 14.883 -16.129 -5.765 1.00 71.32 N ATOM 888 CA PRO A 59 15.759 -17.304 -5.814 1.00 14.11 C ATOM 889 C PRO A 59 16.399 -17.493 -7.185 1.00 33.42 C ATOM 890 O PRO A 59 16.247 -16.654 -8.073 1.00 35.22 O ATOM 891 CB PRO A 59 14.812 -18.465 -5.501 1.00 31.34 C ATOM 892 CG PRO A 59 13.466 -17.980 -5.917 1.00 64.23 C ATOM 893 CD PRO A 59 13.462 -16.499 -5.658 1.00 34.12 C ATOM 0 HA PRO A 59 16.595 -17.219 -5.120 1.00 14.11 H new ATOM 0 HB2 PRO A 59 15.095 -19.365 -6.048 1.00 31.34 H new ATOM 0 HB3 PRO A 59 14.832 -18.717 -4.441 1.00 31.34 H new ATOM 0 HG2 PRO A 59 13.283 -18.193 -6.970 1.00 64.23 H new ATOM 0 HG3 PRO A 59 12.679 -18.478 -5.350 1.00 64.23 H new ATOM 0 HD2 PRO A 59 12.852 -15.965 -6.387 1.00 34.12 H new ATOM 0 HD3 PRO A 59 13.059 -16.265 -4.673 1.00 34.12 H new ATOM 901 N ASP A 60 17.114 -18.600 -7.351 1.00 22.24 N ATOM 902 CA ASP A 60 17.776 -18.901 -8.615 1.00 4.53 C ATOM 903 C ASP A 60 16.798 -18.791 -9.780 1.00 41.00 C ATOM 904 O ASP A 60 17.144 -18.285 -10.847 1.00 61.31 O ATOM 905 CB ASP A 60 18.387 -20.302 -8.575 1.00 34.51 C ATOM 906 CG ASP A 60 19.364 -20.476 -7.429 1.00 34.33 C ATOM 907 OD1 ASP A 60 20.471 -19.904 -7.502 1.00 31.04 O ATOM 908 OD2 ASP A 60 19.021 -21.185 -6.459 1.00 63.41 O ATOM 0 H ASP A 60 17.250 -19.304 -6.626 1.00 22.24 H new ATOM 0 HA ASP A 60 18.572 -18.171 -8.763 1.00 4.53 H new ATOM 0 HB2 ASP A 60 17.590 -21.040 -8.484 1.00 34.51 H new ATOM 0 HB3 ASP A 60 18.898 -20.499 -9.517 1.00 34.51 H new ATOM 913 N GLU A 61 15.576 -19.269 -9.567 1.00 62.44 N ATOM 914 CA GLU A 61 14.549 -19.226 -10.602 1.00 21.45 C ATOM 915 C GLU A 61 14.324 -17.797 -11.085 1.00 55.23 C ATOM 916 O GLU A 61 14.756 -17.425 -12.175 1.00 45.43 O ATOM 917 CB GLU A 61 13.237 -19.811 -10.073 1.00 43.33 C ATOM 918 CG GLU A 61 13.212 -21.330 -10.052 1.00 43.22 C ATOM 919 CD GLU A 61 12.143 -21.883 -9.131 1.00 14.02 C ATOM 920 OE1 GLU A 61 12.128 -21.499 -7.942 1.00 70.33 O ATOM 921 OE2 GLU A 61 11.321 -22.699 -9.597 1.00 72.14 O ATOM 0 H GLU A 61 15.273 -19.690 -8.689 1.00 62.44 H new ATOM 0 HA GLU A 61 14.892 -19.826 -11.445 1.00 21.45 H new ATOM 0 HB2 GLU A 61 13.065 -19.439 -9.063 1.00 43.33 H new ATOM 0 HB3 GLU A 61 12.414 -19.451 -10.690 1.00 43.33 H new ATOM 0 HG2 GLU A 61 13.043 -21.701 -11.063 1.00 43.22 H new ATOM 0 HG3 GLU A 61 14.187 -21.701 -9.735 1.00 43.22 H new ATOM 928 N GLU A 62 13.642 -17.002 -10.266 1.00 43.42 N ATOM 929 CA GLU A 62 13.358 -15.614 -10.611 1.00 41.34 C ATOM 930 C GLU A 62 14.641 -14.868 -10.969 1.00 73.41 C ATOM 931 O GLU A 62 14.619 -13.908 -11.739 1.00 22.42 O ATOM 932 CB GLU A 62 12.653 -14.910 -9.450 1.00 24.13 C ATOM 933 CG GLU A 62 11.400 -15.626 -8.975 1.00 52.40 C ATOM 934 CD GLU A 62 10.513 -16.072 -10.121 1.00 64.05 C ATOM 935 OE1 GLU A 62 9.827 -15.212 -10.711 1.00 14.21 O ATOM 936 OE2 GLU A 62 10.507 -17.282 -10.429 1.00 61.51 O ATOM 0 H GLU A 62 13.276 -17.295 -9.360 1.00 43.42 H new ATOM 0 HA GLU A 62 12.701 -15.610 -11.481 1.00 41.34 H new ATOM 0 HB2 GLU A 62 13.348 -14.819 -8.615 1.00 24.13 H new ATOM 0 HB3 GLU A 62 12.389 -13.898 -9.756 1.00 24.13 H new ATOM 0 HG2 GLU A 62 11.685 -16.495 -8.382 1.00 52.40 H new ATOM 0 HG3 GLU A 62 10.834 -14.964 -8.319 1.00 52.40 H new ATOM 943 N ALA A 63 15.756 -15.318 -10.404 1.00 4.31 N ATOM 944 CA ALA A 63 17.049 -14.695 -10.664 1.00 34.34 C ATOM 945 C ALA A 63 17.405 -14.767 -12.145 1.00 13.34 C ATOM 946 O ALA A 63 17.856 -13.784 -12.731 1.00 41.13 O ATOM 947 CB ALA A 63 18.132 -15.358 -9.826 1.00 32.52 C ATOM 0 H ALA A 63 15.791 -16.111 -9.764 1.00 4.31 H new ATOM 0 HA ALA A 63 16.981 -13.644 -10.384 1.00 34.34 H new ATOM 0 HB1 ALA A 63 19.092 -14.883 -10.030 1.00 32.52 H new ATOM 0 HB2 ALA A 63 17.891 -15.250 -8.768 1.00 32.52 H new ATOM 0 HB3 ALA A 63 18.190 -16.417 -10.078 1.00 32.52 H new ATOM 953 N GLU A 64 17.199 -15.936 -12.742 1.00 70.33 N ATOM 954 CA GLU A 64 17.500 -16.135 -14.155 1.00 45.21 C ATOM 955 C GLU A 64 16.697 -15.171 -15.024 1.00 31.05 C ATOM 956 O GLU A 64 17.055 -14.904 -16.171 1.00 25.22 O ATOM 957 CB GLU A 64 17.202 -17.578 -14.565 1.00 74.32 C ATOM 958 CG GLU A 64 15.733 -17.837 -14.856 1.00 12.12 C ATOM 959 CD GLU A 64 15.256 -19.169 -14.310 1.00 13.55 C ATOM 960 OE1 GLU A 64 16.107 -20.046 -14.057 1.00 21.21 O ATOM 961 OE2 GLU A 64 14.030 -19.332 -14.135 1.00 31.35 O ATOM 0 H GLU A 64 16.825 -16.759 -12.270 1.00 70.33 H new ATOM 0 HA GLU A 64 18.561 -15.934 -14.305 1.00 45.21 H new ATOM 0 HB2 GLU A 64 17.788 -17.824 -15.451 1.00 74.32 H new ATOM 0 HB3 GLU A 64 17.530 -18.248 -13.770 1.00 74.32 H new ATOM 0 HG2 GLU A 64 15.134 -17.036 -14.423 1.00 12.12 H new ATOM 0 HG3 GLU A 64 15.570 -17.811 -15.933 1.00 12.12 H new ATOM 968 N LYS A 65 15.607 -14.652 -14.468 1.00 42.22 N ATOM 969 CA LYS A 65 14.752 -13.717 -15.189 1.00 74.14 C ATOM 970 C LYS A 65 15.243 -12.284 -15.015 1.00 1.31 C ATOM 971 O LYS A 65 15.326 -11.525 -15.981 1.00 4.52 O ATOM 972 CB LYS A 65 13.306 -13.835 -14.700 1.00 63.00 C ATOM 973 CG LYS A 65 12.846 -15.269 -14.504 1.00 32.05 C ATOM 974 CD LYS A 65 11.406 -15.458 -14.949 1.00 74.25 C ATOM 975 CE LYS A 65 11.324 -16.235 -16.255 1.00 33.04 C ATOM 976 NZ LYS A 65 11.161 -15.333 -17.428 1.00 1.41 N ATOM 0 H LYS A 65 15.295 -14.863 -13.520 1.00 42.22 H new ATOM 0 HA LYS A 65 14.793 -13.970 -16.249 1.00 74.14 H new ATOM 0 HB2 LYS A 65 13.205 -13.298 -13.757 1.00 63.00 H new ATOM 0 HB3 LYS A 65 12.647 -13.346 -15.418 1.00 63.00 H new ATOM 0 HG2 LYS A 65 13.493 -15.940 -15.069 1.00 32.05 H new ATOM 0 HG3 LYS A 65 12.942 -15.543 -13.453 1.00 32.05 H new ATOM 0 HD2 LYS A 65 10.851 -15.987 -14.174 1.00 74.25 H new ATOM 0 HD3 LYS A 65 10.931 -14.485 -15.073 1.00 74.25 H new ATOM 0 HE2 LYS A 65 12.227 -16.833 -16.379 1.00 33.04 H new ATOM 0 HE3 LYS A 65 10.485 -16.930 -16.212 1.00 33.04 H new ATOM 0 HZ1 LYS A 65 11.109 -15.901 -18.298 1.00 1.41 H new ATOM 0 HZ2 LYS A 65 10.286 -14.781 -17.322 1.00 1.41 H new ATOM 0 HZ3 LYS A 65 11.974 -14.687 -17.484 1.00 1.41 H new ATOM 990 N ILE A 66 15.568 -11.921 -13.779 1.00 4.03 N ATOM 991 CA ILE A 66 16.054 -10.580 -13.480 1.00 1.44 C ATOM 992 C ILE A 66 17.470 -10.377 -14.008 1.00 61.12 C ATOM 993 O ILE A 66 18.448 -10.540 -13.277 1.00 74.31 O ATOM 994 CB ILE A 66 16.039 -10.300 -11.965 1.00 72.12 C ATOM 995 CG1 ILE A 66 14.621 -10.453 -11.411 1.00 11.44 C ATOM 996 CG2 ILE A 66 16.579 -8.907 -11.678 1.00 55.13 C ATOM 997 CD1 ILE A 66 13.615 -9.528 -12.060 1.00 4.30 C ATOM 0 H ILE A 66 15.504 -12.537 -12.968 1.00 4.03 H new ATOM 0 HA ILE A 66 15.380 -9.883 -13.977 1.00 1.44 H new ATOM 0 HB ILE A 66 16.683 -11.026 -11.469 1.00 72.12 H new ATOM 0 HG12 ILE A 66 14.295 -11.484 -11.548 1.00 11.44 H new ATOM 0 HG13 ILE A 66 14.637 -10.264 -10.338 1.00 11.44 H new ATOM 0 HG21 ILE A 66 16.562 -8.724 -10.604 1.00 55.13 H new ATOM 0 HG22 ILE A 66 17.603 -8.832 -12.043 1.00 55.13 H new ATOM 0 HG23 ILE A 66 15.959 -8.165 -12.182 1.00 55.13 H new ATOM 0 HD11 ILE A 66 12.632 -9.692 -11.618 1.00 4.30 H new ATOM 0 HD12 ILE A 66 13.917 -8.493 -11.901 1.00 4.30 H new ATOM 0 HD13 ILE A 66 13.570 -9.732 -13.130 1.00 4.30 H new ATOM 1009 N THR A 67 17.574 -10.018 -15.284 1.00 70.42 N ATOM 1010 CA THR A 67 18.870 -9.792 -15.912 1.00 31.45 C ATOM 1011 C THR A 67 18.927 -8.423 -16.578 1.00 53.32 C ATOM 1012 O THR A 67 19.736 -8.191 -17.477 1.00 52.32 O ATOM 1013 CB THR A 67 19.182 -10.875 -16.962 1.00 21.23 C ATOM 1014 OG1 THR A 67 20.501 -10.684 -17.485 1.00 23.32 O ATOM 1015 CG2 THR A 67 18.170 -10.836 -18.097 1.00 3.21 C ATOM 0 H THR A 67 16.776 -9.877 -15.903 1.00 70.42 H new ATOM 0 HA THR A 67 19.617 -9.839 -15.120 1.00 31.45 H new ATOM 0 HB THR A 67 19.122 -11.849 -16.476 1.00 21.23 H new ATOM 0 HG1 THR A 67 20.652 -9.730 -17.652 1.00 23.32 H new ATOM 0 HG21 THR A 67 18.411 -11.610 -18.826 1.00 3.21 H new ATOM 0 HG22 THR A 67 17.170 -11.011 -17.699 1.00 3.21 H new ATOM 0 HG23 THR A 67 18.203 -9.859 -18.580 1.00 3.21 H new ATOM 1023 N THR A 68 18.063 -7.516 -16.132 1.00 33.10 N ATOM 1024 CA THR A 68 18.014 -6.169 -16.686 1.00 3.13 C ATOM 1025 C THR A 68 17.300 -5.211 -15.739 1.00 43.32 C ATOM 1026 O THR A 68 16.443 -5.620 -14.956 1.00 4.44 O ATOM 1027 CB THR A 68 17.303 -6.148 -18.052 1.00 30.22 C ATOM 1028 OG1 THR A 68 16.311 -7.179 -18.103 1.00 75.10 O ATOM 1029 CG2 THR A 68 18.300 -6.341 -19.184 1.00 44.32 C ATOM 0 H THR A 68 17.387 -7.691 -15.388 1.00 33.10 H new ATOM 0 HA THR A 68 19.046 -5.844 -16.818 1.00 3.13 H new ATOM 0 HB THR A 68 16.824 -5.176 -18.173 1.00 30.22 H new ATOM 0 HG1 THR A 68 15.862 -7.158 -18.974 1.00 75.10 H new ATOM 0 HG21 THR A 68 17.774 -6.323 -20.139 1.00 44.32 H new ATOM 0 HG22 THR A 68 19.037 -5.539 -19.160 1.00 44.32 H new ATOM 0 HG23 THR A 68 18.804 -7.300 -19.066 1.00 44.32 H new ATOM 1037 N VAL A 69 17.658 -3.933 -15.817 1.00 41.22 N ATOM 1038 CA VAL A 69 17.050 -2.915 -14.968 1.00 72.42 C ATOM 1039 C VAL A 69 15.528 -2.975 -15.044 1.00 3.25 C ATOM 1040 O VAL A 69 14.854 -3.161 -14.031 1.00 24.12 O ATOM 1041 CB VAL A 69 17.518 -1.502 -15.363 1.00 33.01 C ATOM 1042 CG1 VAL A 69 16.985 -0.469 -14.381 1.00 74.45 C ATOM 1043 CG2 VAL A 69 19.036 -1.445 -15.437 1.00 20.20 C ATOM 0 H VAL A 69 18.366 -3.578 -16.460 1.00 41.22 H new ATOM 0 HA VAL A 69 17.369 -3.122 -13.946 1.00 72.42 H new ATOM 0 HB VAL A 69 17.120 -1.269 -16.351 1.00 33.01 H new ATOM 0 HG11 VAL A 69 17.326 0.523 -14.676 1.00 74.45 H new ATOM 0 HG12 VAL A 69 15.895 -0.494 -14.383 1.00 74.45 H new ATOM 0 HG13 VAL A 69 17.352 -0.696 -13.380 1.00 74.45 H new ATOM 0 HG21 VAL A 69 19.349 -0.439 -15.717 1.00 20.20 H new ATOM 0 HG22 VAL A 69 19.457 -1.698 -14.464 1.00 20.20 H new ATOM 0 HG23 VAL A 69 19.391 -2.157 -16.183 1.00 20.20 H new ATOM 1053 N GLN A 70 14.994 -2.815 -16.250 1.00 64.52 N ATOM 1054 CA GLN A 70 13.551 -2.851 -16.457 1.00 45.23 C ATOM 1055 C GLN A 70 12.943 -4.105 -15.839 1.00 24.33 C ATOM 1056 O GLN A 70 11.871 -4.055 -15.238 1.00 33.23 O ATOM 1057 CB GLN A 70 13.228 -2.796 -17.951 1.00 71.33 C ATOM 1058 CG GLN A 70 11.764 -3.057 -18.267 1.00 31.33 C ATOM 1059 CD GLN A 70 10.826 -2.381 -17.286 1.00 42.02 C ATOM 1060 OE1 GLN A 70 9.877 -2.992 -16.795 1.00 73.21 O ATOM 1061 NE2 GLN A 70 11.088 -1.112 -16.995 1.00 71.04 N ATOM 0 H GLN A 70 15.538 -2.659 -17.098 1.00 64.52 H new ATOM 0 HA GLN A 70 13.117 -1.980 -15.966 1.00 45.23 H new ATOM 0 HB2 GLN A 70 13.506 -1.816 -18.338 1.00 71.33 H new ATOM 0 HB3 GLN A 70 13.841 -3.530 -18.474 1.00 71.33 H new ATOM 0 HG2 GLN A 70 11.545 -2.704 -19.275 1.00 31.33 H new ATOM 0 HG3 GLN A 70 11.580 -4.131 -18.258 1.00 31.33 H new ATOM 0 HE21 GLN A 70 11.886 -0.644 -17.425 1.00 71.04 H new ATOM 0 HE22 GLN A 70 10.492 -0.605 -16.341 1.00 71.04 H new ATOM 1070 N ALA A 71 13.636 -5.229 -15.991 1.00 31.43 N ATOM 1071 CA ALA A 71 13.165 -6.496 -15.446 1.00 33.44 C ATOM 1072 C ALA A 71 13.126 -6.458 -13.922 1.00 10.03 C ATOM 1073 O ALA A 71 12.143 -6.870 -13.306 1.00 3.42 O ATOM 1074 CB ALA A 71 14.049 -7.638 -15.924 1.00 60.34 C ATOM 0 H ALA A 71 14.525 -5.288 -16.487 1.00 31.43 H new ATOM 0 HA ALA A 71 12.149 -6.662 -15.806 1.00 33.44 H new ATOM 0 HB1 ALA A 71 13.685 -8.578 -15.509 1.00 60.34 H new ATOM 0 HB2 ALA A 71 14.023 -7.688 -17.013 1.00 60.34 H new ATOM 0 HB3 ALA A 71 15.074 -7.468 -15.593 1.00 60.34 H new ATOM 1080 N ALA A 72 14.202 -5.962 -13.319 1.00 53.34 N ATOM 1081 CA ALA A 72 14.290 -5.869 -11.867 1.00 54.44 C ATOM 1082 C ALA A 72 13.253 -4.896 -11.316 1.00 34.01 C ATOM 1083 O ALA A 72 12.457 -5.250 -10.445 1.00 61.33 O ATOM 1084 CB ALA A 72 15.689 -5.444 -11.450 1.00 5.45 C ATOM 0 H ALA A 72 15.025 -5.618 -13.814 1.00 53.34 H new ATOM 0 HA ALA A 72 14.082 -6.855 -11.451 1.00 54.44 H new ATOM 0 HB1 ALA A 72 15.741 -5.379 -10.363 1.00 5.45 H new ATOM 0 HB2 ALA A 72 16.413 -6.178 -11.804 1.00 5.45 H new ATOM 0 HB3 ALA A 72 15.918 -4.470 -11.883 1.00 5.45 H new ATOM 1090 N ILE A 73 13.268 -3.670 -11.827 1.00 54.23 N ATOM 1091 CA ILE A 73 12.328 -2.647 -11.386 1.00 11.25 C ATOM 1092 C ILE A 73 10.886 -3.112 -11.560 1.00 63.41 C ATOM 1093 O ILE A 73 10.007 -2.751 -10.778 1.00 3.14 O ATOM 1094 CB ILE A 73 12.527 -1.329 -12.157 1.00 12.21 C ATOM 1095 CG1 ILE A 73 11.710 -0.207 -11.512 1.00 51.04 C ATOM 1096 CG2 ILE A 73 12.135 -1.505 -13.616 1.00 64.05 C ATOM 1097 CD1 ILE A 73 12.493 0.612 -10.511 1.00 3.05 C ATOM 0 H ILE A 73 13.921 -3.361 -12.547 1.00 54.23 H new ATOM 0 HA ILE A 73 12.526 -2.473 -10.328 1.00 11.25 H new ATOM 0 HB ILE A 73 13.581 -1.056 -12.114 1.00 12.21 H new ATOM 0 HG12 ILE A 73 11.333 0.453 -12.294 1.00 51.04 H new ATOM 0 HG13 ILE A 73 10.842 -0.640 -11.015 1.00 51.04 H new ATOM 0 HG21 ILE A 73 12.281 -0.565 -14.148 1.00 64.05 H new ATOM 0 HG22 ILE A 73 12.756 -2.278 -14.069 1.00 64.05 H new ATOM 0 HG23 ILE A 73 11.087 -1.798 -13.678 1.00 64.05 H new ATOM 0 HD11 ILE A 73 11.851 1.388 -10.094 1.00 3.05 H new ATOM 0 HD12 ILE A 73 12.847 -0.035 -9.709 1.00 3.05 H new ATOM 0 HD13 ILE A 73 13.346 1.075 -11.007 1.00 3.05 H new ATOM 1109 N ASP A 74 10.651 -3.918 -12.590 1.00 43.42 N ATOM 1110 CA ASP A 74 9.316 -4.436 -12.866 1.00 45.04 C ATOM 1111 C ASP A 74 8.881 -5.421 -11.786 1.00 4.45 C ATOM 1112 O ASP A 74 7.779 -5.320 -11.247 1.00 53.21 O ATOM 1113 CB ASP A 74 9.284 -5.116 -14.236 1.00 54.21 C ATOM 1114 CG ASP A 74 7.894 -5.591 -14.613 1.00 62.13 C ATOM 1115 OD1 ASP A 74 7.463 -6.640 -14.090 1.00 63.32 O ATOM 1116 OD2 ASP A 74 7.237 -4.913 -15.431 1.00 25.51 O ATOM 0 H ASP A 74 11.367 -4.227 -13.247 1.00 43.42 H new ATOM 0 HA ASP A 74 8.620 -3.597 -12.868 1.00 45.04 H new ATOM 0 HB2 ASP A 74 9.645 -4.420 -14.993 1.00 54.21 H new ATOM 0 HB3 ASP A 74 9.967 -5.965 -14.233 1.00 54.21 H new ATOM 1121 N TYR A 75 9.754 -6.372 -11.474 1.00 20.42 N ATOM 1122 CA TYR A 75 9.459 -7.378 -10.460 1.00 13.42 C ATOM 1123 C TYR A 75 9.149 -6.723 -9.117 1.00 50.42 C ATOM 1124 O TYR A 75 8.061 -6.891 -8.567 1.00 74.12 O ATOM 1125 CB TYR A 75 10.636 -8.342 -10.310 1.00 24.14 C ATOM 1126 CG TYR A 75 10.285 -9.617 -9.577 1.00 61.42 C ATOM 1127 CD1 TYR A 75 9.914 -9.594 -8.239 1.00 2.45 C ATOM 1128 CD2 TYR A 75 10.323 -10.846 -10.225 1.00 21.33 C ATOM 1129 CE1 TYR A 75 9.593 -10.756 -7.565 1.00 62.45 C ATOM 1130 CE2 TYR A 75 10.002 -12.014 -9.560 1.00 23.11 C ATOM 1131 CZ TYR A 75 9.639 -11.964 -8.230 1.00 75.14 C ATOM 1132 OH TYR A 75 9.318 -13.124 -7.564 1.00 21.52 O ATOM 0 H TYR A 75 10.672 -6.468 -11.908 1.00 20.42 H new ATOM 0 HA TYR A 75 8.580 -7.936 -10.783 1.00 13.42 H new ATOM 0 HB2 TYR A 75 11.016 -8.595 -11.300 1.00 24.14 H new ATOM 0 HB3 TYR A 75 11.443 -7.837 -9.778 1.00 24.14 H new ATOM 0 HD1 TYR A 75 9.876 -8.650 -7.716 1.00 2.45 H new ATOM 0 HD2 TYR A 75 10.608 -10.889 -11.266 1.00 21.33 H new ATOM 0 HE1 TYR A 75 9.308 -10.719 -6.524 1.00 62.45 H new ATOM 0 HE2 TYR A 75 10.035 -12.961 -10.079 1.00 23.11 H new ATOM 0 HH TYR A 75 8.420 -13.043 -7.180 1.00 21.52 H new ATOM 1142 N VAL A 76 10.115 -5.973 -8.595 1.00 31.41 N ATOM 1143 CA VAL A 76 9.947 -5.290 -7.318 1.00 34.43 C ATOM 1144 C VAL A 76 8.682 -4.439 -7.312 1.00 42.23 C ATOM 1145 O VAL A 76 7.909 -4.464 -6.356 1.00 12.00 O ATOM 1146 CB VAL A 76 11.157 -4.394 -6.997 1.00 24.23 C ATOM 1147 CG1 VAL A 76 10.958 -3.683 -5.667 1.00 52.33 C ATOM 1148 CG2 VAL A 76 12.439 -5.214 -6.985 1.00 35.42 C ATOM 0 H VAL A 76 11.022 -5.823 -9.037 1.00 31.41 H new ATOM 0 HA VAL A 76 9.865 -6.063 -6.554 1.00 34.43 H new ATOM 0 HB VAL A 76 11.243 -3.637 -7.777 1.00 24.23 H new ATOM 0 HG11 VAL A 76 11.824 -3.055 -5.457 1.00 52.33 H new ATOM 0 HG12 VAL A 76 10.063 -3.063 -5.716 1.00 52.33 H new ATOM 0 HG13 VAL A 76 10.845 -4.421 -4.873 1.00 52.33 H new ATOM 0 HG21 VAL A 76 13.284 -4.565 -6.756 1.00 35.42 H new ATOM 0 HG22 VAL A 76 12.365 -5.994 -6.227 1.00 35.42 H new ATOM 0 HG23 VAL A 76 12.587 -5.672 -7.963 1.00 35.42 H new ATOM 1158 N ASN A 77 8.478 -3.685 -8.388 1.00 63.20 N ATOM 1159 CA ASN A 77 7.307 -2.825 -8.508 1.00 12.14 C ATOM 1160 C ASN A 77 6.027 -3.653 -8.561 1.00 73.23 C ATOM 1161 O ASN A 77 4.963 -3.199 -8.139 1.00 23.31 O ATOM 1162 CB ASN A 77 7.415 -1.951 -9.759 1.00 63.52 C ATOM 1163 CG ASN A 77 6.307 -0.920 -9.842 1.00 52.12 C ATOM 1164 OD1 ASN A 77 5.145 -1.258 -10.070 1.00 41.43 O ATOM 1165 ND2 ASN A 77 6.662 0.346 -9.657 1.00 1.21 N ATOM 0 H ASN A 77 9.109 -3.653 -9.189 1.00 63.20 H new ATOM 0 HA ASN A 77 7.267 -2.183 -7.628 1.00 12.14 H new ATOM 0 HB2 ASN A 77 8.380 -1.444 -9.762 1.00 63.52 H new ATOM 0 HB3 ASN A 77 7.385 -2.585 -10.645 1.00 63.52 H new ATOM 0 HD21 ASN A 77 5.960 1.084 -9.701 1.00 1.21 H new ATOM 0 HD22 ASN A 77 7.637 0.580 -9.471 1.00 1.21 H new ATOM 1172 N SER A 78 6.138 -4.871 -9.083 1.00 55.41 N ATOM 1173 CA SER A 78 4.989 -5.762 -9.195 1.00 52.21 C ATOM 1174 C SER A 78 4.675 -6.414 -7.852 1.00 74.54 C ATOM 1175 O SER A 78 3.515 -6.676 -7.532 1.00 75.15 O ATOM 1176 CB SER A 78 5.253 -6.839 -10.249 1.00 51.31 C ATOM 1177 OG SER A 78 4.397 -7.953 -10.065 1.00 62.20 O ATOM 0 H SER A 78 7.012 -5.263 -9.435 1.00 55.41 H new ATOM 0 HA SER A 78 4.128 -5.168 -9.501 1.00 52.21 H new ATOM 0 HB2 SER A 78 5.103 -6.422 -11.245 1.00 51.31 H new ATOM 0 HB3 SER A 78 6.293 -7.162 -10.191 1.00 51.31 H new ATOM 0 HG SER A 78 4.584 -8.626 -10.752 1.00 62.20 H new ATOM 1183 N HIS A 79 5.717 -6.675 -7.070 1.00 20.12 N ATOM 1184 CA HIS A 79 5.554 -7.297 -5.761 1.00 14.14 C ATOM 1185 C HIS A 79 5.472 -6.240 -4.664 1.00 15.25 C ATOM 1186 O HIS A 79 6.289 -6.222 -3.744 1.00 65.22 O ATOM 1187 CB HIS A 79 6.713 -8.253 -5.478 1.00 41.32 C ATOM 1188 CG HIS A 79 6.639 -9.530 -6.256 1.00 62.34 C ATOM 1189 ND1 HIS A 79 6.442 -9.570 -7.621 1.00 30.35 N ATOM 1190 CD2 HIS A 79 6.739 -10.819 -5.854 1.00 43.13 C ATOM 1191 CE1 HIS A 79 6.422 -10.828 -8.024 1.00 21.24 C ATOM 1192 NE2 HIS A 79 6.601 -11.606 -6.971 1.00 52.10 N ATOM 0 H HIS A 79 6.683 -6.465 -7.320 1.00 20.12 H new ATOM 0 HA HIS A 79 4.622 -7.861 -5.769 1.00 14.14 H new ATOM 0 HB2 HIS A 79 7.652 -7.750 -5.709 1.00 41.32 H new ATOM 0 HB3 HIS A 79 6.729 -8.486 -4.413 1.00 41.32 H new ATOM 0 HD1 HIS A 79 6.329 -8.756 -8.225 1.00 30.35 H new ATOM 0 HD2 HIS A 79 6.898 -11.164 -4.843 1.00 43.13 H new ATOM 0 HE1 HIS A 79 6.283 -11.163 -9.041 1.00 21.24 H new ATOM 1200 N GLN A 80 4.480 -5.361 -4.768 1.00 50.02 N ATOM 1201 CA GLN A 80 4.293 -4.300 -3.785 1.00 61.24 C ATOM 1202 C GLN A 80 4.260 -4.869 -2.371 1.00 10.34 C ATOM 1203 O GLN A 80 4.974 -4.398 -1.484 1.00 71.12 O ATOM 1204 CB GLN A 80 3.000 -3.534 -4.070 1.00 61.13 C ATOM 1205 CG GLN A 80 3.020 -2.775 -5.387 1.00 63.24 C ATOM 1206 CD GLN A 80 3.507 -1.348 -5.231 1.00 65.12 C ATOM 1207 OE1 GLN A 80 2.720 -0.435 -4.984 1.00 52.51 O ATOM 1208 NE2 GLN A 80 4.812 -1.149 -5.375 1.00 5.22 N ATOM 0 H GLN A 80 3.794 -5.363 -5.523 1.00 50.02 H new ATOM 0 HA GLN A 80 5.137 -3.615 -3.862 1.00 61.24 H new ATOM 0 HB2 GLN A 80 2.166 -4.236 -4.077 1.00 61.13 H new ATOM 0 HB3 GLN A 80 2.818 -2.831 -3.258 1.00 61.13 H new ATOM 0 HG2 GLN A 80 3.663 -3.299 -6.094 1.00 63.24 H new ATOM 0 HG3 GLN A 80 2.017 -2.768 -5.813 1.00 63.24 H new ATOM 0 HE21 GLN A 80 5.428 -1.936 -5.580 1.00 5.22 H new ATOM 0 HE22 GLN A 80 5.198 -0.210 -5.281 1.00 5.22 H new TER 1217 GLN A 80