USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 879 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 84 HIS :FLIP no HE2:sc= -2.71 F(o=-4.3!,f=-2.7) USER MOD Set 1.2: A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0337 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 43:sc= -0.831 USER MOD Single : A 31 THR OG1 : rot 122:sc= 0.153 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.263 K(o=-0.26,f=-1.5!) USER MOD Single : A 37 ASN : amide:sc= -0.512 K(o=-0.51,f=-1.7!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -134:sc= -0.049 (180deg=-0.64) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.687 USER MOD Single : A 53 SER OG : rot -80:sc= -1.23 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -5.1! C(o=-7.7!,f=-5.1!) USER MOD Single : A 70 LYS NZ :NH3+ -140:sc= -0.447 (180deg=-1.29) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -1.3 X(o=-1.3,f=-1.2) USER MOD Single : A 75 MET CE :methyl -173:sc= -1.04 (180deg=-1.26) USER MOD Single : A 81 MET CE :methyl -106:sc= -7.11! (180deg=-15.1!) USER MOD Single : A 82 THR OG1 : rot 160:sc= -0.571 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -129:sc= -2.8! USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= -0.0568 K(o=-0.057,f=-0.6) USER MOD Single : A 101 TYR OH : rot 23:sc= -3.08! USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HE2:sc= 0.00137 X(o=0.0014,f=-0.055) USER MOD Single : A 122 TYR OH : rot -81:sc= 0.355 USER MOD ----------------------------------------------------------------- ATOM 35 N ARG A 3 4.075 -3.835 -1.802 1.00 75.04 N ATOM 36 CA ARG A 3 5.527 -3.859 -1.922 1.00 23.10 C ATOM 37 C ARG A 3 6.089 -5.198 -1.452 1.00 44.32 C ATOM 38 O ARG A 3 7.225 -5.551 -1.767 1.00 41.50 O ATOM 39 CB ARG A 3 6.146 -2.721 -1.109 1.00 2.50 C ATOM 40 CG ARG A 3 5.655 -2.661 0.328 1.00 33.21 C ATOM 41 CD ARG A 3 6.512 -3.519 1.246 1.00 53.12 C ATOM 42 NE ARG A 3 7.917 -3.123 1.210 1.00 20.04 N ATOM 43 CZ ARG A 3 8.409 -2.098 1.897 1.00 42.33 C ATOM 44 NH1 ARG A 3 7.614 -1.369 2.668 1.00 60.11 N ATOM 45 NH2 ARG A 3 9.699 -1.800 1.813 1.00 45.33 N ATOM 0 HA ARG A 3 5.782 -3.726 -2.973 1.00 23.10 H new ATOM 0 HB2 ARG A 3 7.230 -2.834 -1.109 1.00 2.50 H new ATOM 0 HB3 ARG A 3 5.924 -1.773 -1.600 1.00 2.50 H new ATOM 0 HG2 ARG A 3 5.669 -1.628 0.676 1.00 33.21 H new ATOM 0 HG3 ARG A 3 4.620 -2.999 0.374 1.00 33.21 H new ATOM 0 HD2 ARG A 3 6.139 -3.441 2.267 1.00 53.12 H new ATOM 0 HD3 ARG A 3 6.422 -4.565 0.953 1.00 53.12 H new ATOM 0 HE ARG A 3 8.555 -3.663 0.626 1.00 20.04 H new ATOM 0 HH11 ARG A 3 6.622 -1.595 2.735 1.00 60.11 H new ATOM 0 HH12 ARG A 3 7.995 -0.583 3.194 1.00 60.11 H new ATOM 0 HH21 ARG A 3 10.314 -2.358 1.221 1.00 45.33 H new ATOM 0 HH22 ARG A 3 10.076 -1.013 2.341 1.00 45.33 H new ATOM 59 N GLY A 4 5.285 -5.939 -0.696 1.00 62.01 N ATOM 60 CA GLY A 4 5.720 -7.230 -0.195 1.00 12.44 C ATOM 61 C GLY A 4 4.558 -8.115 0.211 1.00 24.11 C ATOM 62 O GLY A 4 4.064 -8.025 1.335 1.00 12.11 O ATOM 0 H GLY A 4 4.341 -5.669 -0.422 1.00 62.01 H new ATOM 0 HA2 GLY A 4 6.307 -7.735 -0.962 1.00 12.44 H new ATOM 0 HA3 GLY A 4 6.377 -7.081 0.662 1.00 12.44 H new ATOM 66 N ILE A 5 4.121 -8.972 -0.706 1.00 10.51 N ATOM 67 CA ILE A 5 3.010 -9.876 -0.437 1.00 60.03 C ATOM 68 C ILE A 5 3.477 -11.108 0.330 1.00 24.12 C ATOM 69 O ILE A 5 4.565 -11.630 0.085 1.00 72.45 O ATOM 70 CB ILE A 5 2.323 -10.327 -1.740 1.00 43.41 C ATOM 71 CG1 ILE A 5 1.678 -9.130 -2.442 1.00 73.11 C ATOM 72 CG2 ILE A 5 1.285 -11.400 -1.448 1.00 1.41 C ATOM 73 CD1 ILE A 5 1.297 -9.406 -3.880 1.00 22.31 C ATOM 0 H ILE A 5 4.519 -9.059 -1.641 1.00 10.51 H new ATOM 0 HA ILE A 5 2.293 -9.323 0.170 1.00 60.03 H new ATOM 0 HB ILE A 5 3.077 -10.751 -2.404 1.00 43.41 H new ATOM 0 HG12 ILE A 5 0.787 -8.832 -1.889 1.00 73.11 H new ATOM 0 HG13 ILE A 5 2.368 -8.287 -2.413 1.00 73.11 H new ATOM 0 HG21 ILE A 5 0.808 -11.708 -2.379 1.00 1.41 H new ATOM 0 HG22 ILE A 5 1.771 -12.260 -0.987 1.00 1.41 H new ATOM 0 HG23 ILE A 5 0.531 -11.002 -0.769 1.00 1.41 H new ATOM 0 HD11 ILE A 5 0.846 -8.514 -4.314 1.00 22.31 H new ATOM 0 HD12 ILE A 5 2.188 -9.675 -4.447 1.00 22.31 H new ATOM 0 HD13 ILE A 5 0.582 -10.228 -3.916 1.00 22.31 H new ATOM 85 N VAL A 6 2.647 -11.569 1.260 1.00 22.33 N ATOM 86 CA VAL A 6 2.974 -12.742 2.062 1.00 35.34 C ATOM 87 C VAL A 6 1.867 -13.788 1.982 1.00 11.15 C ATOM 88 O VAL A 6 0.696 -13.486 2.215 1.00 24.34 O ATOM 89 CB VAL A 6 3.204 -12.367 3.538 1.00 2.32 C ATOM 90 CG1 VAL A 6 3.907 -13.497 4.274 1.00 64.34 C ATOM 91 CG2 VAL A 6 4.002 -11.076 3.640 1.00 1.44 C ATOM 0 H VAL A 6 1.743 -11.148 1.477 1.00 22.33 H new ATOM 0 HA VAL A 6 3.895 -13.158 1.653 1.00 35.34 H new ATOM 0 HB VAL A 6 2.234 -12.207 4.010 1.00 2.32 H new ATOM 0 HG11 VAL A 6 4.061 -13.213 5.315 1.00 64.34 H new ATOM 0 HG12 VAL A 6 3.294 -14.397 4.230 1.00 64.34 H new ATOM 0 HG13 VAL A 6 4.871 -13.692 3.805 1.00 64.34 H new ATOM 0 HG21 VAL A 6 4.156 -10.825 4.690 1.00 1.44 H new ATOM 0 HG22 VAL A 6 4.968 -11.206 3.153 1.00 1.44 H new ATOM 0 HG23 VAL A 6 3.455 -10.270 3.151 1.00 1.44 H new ATOM 101 N TRP A 7 2.245 -15.017 1.652 1.00 23.34 N ATOM 102 CA TRP A 7 1.284 -16.109 1.542 1.00 2.11 C ATOM 103 C TRP A 7 1.453 -17.101 2.688 1.00 44.24 C ATOM 104 O TRP A 7 2.473 -17.099 3.378 1.00 13.10 O ATOM 105 CB TRP A 7 1.448 -16.826 0.201 1.00 31.43 C ATOM 106 CG TRP A 7 1.049 -15.987 -0.974 1.00 44.44 C ATOM 107 CD1 TRP A 7 0.513 -14.731 -0.941 1.00 3.05 C ATOM 108 CD2 TRP A 7 1.154 -16.343 -2.357 1.00 72.30 C ATOM 109 NE1 TRP A 7 0.278 -14.286 -2.219 1.00 1.40 N ATOM 110 CE2 TRP A 7 0.663 -15.256 -3.106 1.00 3.30 C ATOM 111 CE3 TRP A 7 1.616 -17.474 -3.035 1.00 73.33 C ATOM 112 CZ2 TRP A 7 0.622 -15.269 -4.498 1.00 35.24 C ATOM 113 CZ3 TRP A 7 1.573 -17.486 -4.417 1.00 23.25 C ATOM 114 CH2 TRP A 7 1.080 -16.390 -5.136 1.00 0.52 C ATOM 0 H TRP A 7 3.210 -15.283 1.456 1.00 23.34 H new ATOM 0 HA TRP A 7 0.281 -15.685 1.599 1.00 2.11 H new ATOM 0 HB2 TRP A 7 2.488 -17.130 0.085 1.00 31.43 H new ATOM 0 HB3 TRP A 7 0.849 -17.736 0.208 1.00 31.43 H new ATOM 0 HD1 TRP A 7 0.305 -14.170 -0.042 1.00 3.05 H new ATOM 0 HE1 TRP A 7 -0.119 -13.380 -2.467 1.00 1.40 H new ATOM 0 HE3 TRP A 7 2.000 -18.323 -2.490 1.00 73.33 H new ATOM 0 HZ2 TRP A 7 0.242 -14.425 -5.054 1.00 35.24 H new ATOM 0 HZ3 TRP A 7 1.926 -18.356 -4.951 1.00 23.25 H new ATOM 0 HH2 TRP A 7 1.061 -16.430 -6.215 1.00 0.52 H new ATOM 125 N VAL A 8 0.448 -17.948 2.885 1.00 62.15 N ATOM 126 CA VAL A 8 0.487 -18.947 3.946 1.00 10.21 C ATOM 127 C VAL A 8 -0.183 -20.243 3.506 1.00 75.23 C ATOM 128 O VAL A 8 -1.163 -20.226 2.760 1.00 32.24 O ATOM 129 CB VAL A 8 -0.202 -18.434 5.225 1.00 51.14 C ATOM 130 CG1 VAL A 8 -0.234 -19.522 6.287 1.00 15.01 C ATOM 131 CG2 VAL A 8 0.501 -17.189 5.745 1.00 32.45 C ATOM 0 H VAL A 8 -0.403 -17.962 2.324 1.00 62.15 H new ATOM 0 HA VAL A 8 1.538 -19.140 4.160 1.00 10.21 H new ATOM 0 HB VAL A 8 -1.231 -18.168 4.982 1.00 51.14 H new ATOM 0 HG11 VAL A 8 -0.724 -19.141 7.183 1.00 15.01 H new ATOM 0 HG12 VAL A 8 -0.786 -20.383 5.909 1.00 15.01 H new ATOM 0 HG13 VAL A 8 0.785 -19.823 6.531 1.00 15.01 H new ATOM 0 HG21 VAL A 8 0.002 -16.840 6.649 1.00 32.45 H new ATOM 0 HG22 VAL A 8 1.540 -17.426 5.973 1.00 32.45 H new ATOM 0 HG23 VAL A 8 0.466 -16.407 4.986 1.00 32.45 H new ATOM 141 N VAL A 9 0.351 -21.367 3.972 1.00 31.51 N ATOM 142 CA VAL A 9 -0.196 -22.674 3.628 1.00 75.30 C ATOM 143 C VAL A 9 -0.316 -23.562 4.862 1.00 72.25 C ATOM 144 O VAL A 9 0.455 -24.505 5.037 1.00 24.24 O ATOM 145 CB VAL A 9 0.674 -23.389 2.577 1.00 4.44 C ATOM 146 CG1 VAL A 9 2.096 -23.560 3.089 1.00 5.53 C ATOM 147 CG2 VAL A 9 0.067 -24.733 2.208 1.00 72.34 C ATOM 0 H VAL A 9 1.162 -21.399 4.589 1.00 31.51 H new ATOM 0 HA VAL A 9 -1.188 -22.501 3.210 1.00 75.30 H new ATOM 0 HB VAL A 9 0.708 -22.773 1.679 1.00 4.44 H new ATOM 0 HG11 VAL A 9 2.696 -24.067 2.333 1.00 5.53 H new ATOM 0 HG12 VAL A 9 2.527 -22.581 3.299 1.00 5.53 H new ATOM 0 HG13 VAL A 9 2.085 -24.155 4.002 1.00 5.53 H new ATOM 0 HG21 VAL A 9 0.695 -25.224 1.464 1.00 72.34 H new ATOM 0 HG22 VAL A 9 0.001 -25.359 3.098 1.00 72.34 H new ATOM 0 HG23 VAL A 9 -0.931 -24.581 1.797 1.00 72.34 H new ATOM 157 N ASP A 10 -1.288 -23.255 5.713 1.00 55.42 N ATOM 158 CA ASP A 10 -1.511 -24.026 6.930 1.00 10.34 C ATOM 159 C ASP A 10 -2.821 -24.804 6.849 1.00 45.10 C ATOM 160 O ASP A 10 -3.595 -24.639 5.906 1.00 3.21 O ATOM 161 CB ASP A 10 -1.527 -23.101 8.149 1.00 75.51 C ATOM 162 CG ASP A 10 -2.740 -22.192 8.169 1.00 11.32 C ATOM 163 OD1 ASP A 10 -2.851 -21.330 7.272 1.00 71.34 O ATOM 164 OD2 ASP A 10 -3.579 -22.342 9.082 1.00 5.32 O ATOM 0 H ASP A 10 -1.935 -22.477 5.582 1.00 55.42 H new ATOM 0 HA ASP A 10 -0.693 -24.738 7.034 1.00 10.34 H new ATOM 0 HB2 ASP A 10 -1.512 -23.702 9.058 1.00 75.51 H new ATOM 0 HB3 ASP A 10 -0.622 -22.494 8.153 1.00 75.51 H new ATOM 169 N ASP A 11 -3.061 -25.653 7.842 1.00 1.32 N ATOM 170 CA ASP A 11 -4.277 -26.457 7.883 1.00 23.02 C ATOM 171 C ASP A 11 -5.096 -26.140 9.130 1.00 21.25 C ATOM 172 O ASP A 11 -5.959 -26.921 9.533 1.00 3.33 O ATOM 173 CB ASP A 11 -3.930 -27.946 7.850 1.00 22.34 C ATOM 174 CG ASP A 11 -4.740 -28.707 6.819 1.00 1.20 C ATOM 175 OD1 ASP A 11 -5.986 -28.655 6.887 1.00 51.11 O ATOM 176 OD2 ASP A 11 -4.128 -29.353 5.943 1.00 21.14 O ATOM 0 H ASP A 11 -2.430 -25.802 8.629 1.00 1.32 H new ATOM 0 HA ASP A 11 -4.875 -26.212 7.006 1.00 23.02 H new ATOM 0 HB2 ASP A 11 -2.868 -28.064 7.633 1.00 22.34 H new ATOM 0 HB3 ASP A 11 -4.104 -28.378 8.835 1.00 22.34 H new ATOM 181 N ASP A 12 -4.819 -24.992 9.738 1.00 53.43 N ATOM 182 CA ASP A 12 -5.530 -24.571 10.939 1.00 35.34 C ATOM 183 C ASP A 12 -6.375 -23.331 10.665 1.00 2.33 C ATOM 184 O ASP A 12 -6.065 -22.541 9.773 1.00 61.51 O ATOM 185 CB ASP A 12 -4.541 -24.290 12.071 1.00 20.13 C ATOM 186 CG ASP A 12 -4.864 -25.072 13.330 1.00 45.43 C ATOM 187 OD1 ASP A 12 -6.052 -25.393 13.541 1.00 10.40 O ATOM 188 OD2 ASP A 12 -3.927 -25.363 14.103 1.00 74.11 O ATOM 0 H ASP A 12 -4.106 -24.336 9.418 1.00 53.43 H new ATOM 0 HA ASP A 12 -6.194 -25.381 11.240 1.00 35.34 H new ATOM 0 HB2 ASP A 12 -3.533 -24.541 11.740 1.00 20.13 H new ATOM 0 HB3 ASP A 12 -4.546 -23.224 12.298 1.00 20.13 H new ATOM 193 N SER A 13 -7.444 -23.166 11.438 1.00 4.21 N ATOM 194 CA SER A 13 -8.336 -22.024 11.275 1.00 2.14 C ATOM 195 C SER A 13 -7.702 -20.755 11.837 1.00 43.11 C ATOM 196 O SER A 13 -7.651 -19.724 11.166 1.00 21.01 O ATOM 197 CB SER A 13 -9.672 -22.291 11.971 1.00 51.31 C ATOM 198 OG SER A 13 -10.758 -21.853 11.173 1.00 35.02 O ATOM 0 H SER A 13 -7.713 -23.809 12.183 1.00 4.21 H new ATOM 0 HA SER A 13 -8.512 -21.880 10.209 1.00 2.14 H new ATOM 0 HB2 SER A 13 -9.773 -23.357 12.175 1.00 51.31 H new ATOM 0 HB3 SER A 13 -9.693 -21.779 12.933 1.00 51.31 H new ATOM 0 HG SER A 13 -11.601 -22.036 11.638 1.00 35.02 H new ATOM 204 N SER A 14 -7.219 -20.839 13.073 1.00 54.34 N ATOM 205 CA SER A 14 -6.592 -19.697 13.727 1.00 2.23 C ATOM 206 C SER A 14 -5.236 -19.388 13.099 1.00 30.23 C ATOM 207 O SER A 14 -4.928 -18.235 12.798 1.00 43.23 O ATOM 208 CB SER A 14 -6.424 -19.969 15.223 1.00 5.14 C ATOM 209 OG SER A 14 -5.974 -21.293 15.454 1.00 73.04 O ATOM 0 H SER A 14 -7.250 -21.686 13.641 1.00 54.34 H new ATOM 0 HA SER A 14 -7.240 -18.831 13.593 1.00 2.23 H new ATOM 0 HB2 SER A 14 -5.712 -19.261 15.647 1.00 5.14 H new ATOM 0 HB3 SER A 14 -7.374 -19.810 15.733 1.00 5.14 H new ATOM 0 HG SER A 14 -5.873 -21.441 16.418 1.00 73.04 H new ATOM 215 N ILE A 15 -4.431 -20.427 12.906 1.00 63.14 N ATOM 216 CA ILE A 15 -3.109 -20.268 12.313 1.00 64.12 C ATOM 217 C ILE A 15 -3.173 -19.425 11.044 1.00 2.41 C ATOM 218 O ILE A 15 -2.338 -18.546 10.828 1.00 53.31 O ATOM 219 CB ILE A 15 -2.474 -21.631 11.978 1.00 0.13 C ATOM 220 CG1 ILE A 15 -2.271 -22.451 13.254 1.00 11.42 C ATOM 221 CG2 ILE A 15 -1.152 -21.435 11.252 1.00 25.30 C ATOM 222 CD1 ILE A 15 -1.397 -21.764 14.281 1.00 75.22 C ATOM 0 H ILE A 15 -4.671 -21.388 13.151 1.00 63.14 H new ATOM 0 HA ILE A 15 -2.491 -19.760 13.053 1.00 64.12 H new ATOM 0 HB ILE A 15 -3.149 -22.178 11.321 1.00 0.13 H new ATOM 0 HG12 ILE A 15 -3.243 -22.662 13.699 1.00 11.42 H new ATOM 0 HG13 ILE A 15 -1.825 -23.411 12.993 1.00 11.42 H new ATOM 0 HG21 ILE A 15 -0.716 -22.407 11.022 1.00 25.30 H new ATOM 0 HG22 ILE A 15 -1.323 -20.886 10.326 1.00 25.30 H new ATOM 0 HG23 ILE A 15 -0.468 -20.871 11.887 1.00 25.30 H new ATOM 0 HD11 ILE A 15 -1.297 -22.402 15.159 1.00 75.22 H new ATOM 0 HD12 ILE A 15 -0.412 -21.577 13.854 1.00 75.22 H new ATOM 0 HD13 ILE A 15 -1.852 -20.817 14.571 1.00 75.22 H new ATOM 234 N ARG A 16 -4.170 -19.697 10.209 1.00 70.12 N ATOM 235 CA ARG A 16 -4.344 -18.963 8.961 1.00 10.14 C ATOM 236 C ARG A 16 -5.019 -17.618 9.212 1.00 41.50 C ATOM 237 O ARG A 16 -4.872 -16.683 8.425 1.00 54.52 O ATOM 238 CB ARG A 16 -5.173 -19.785 7.972 1.00 4.14 C ATOM 239 CG ARG A 16 -6.663 -19.493 8.037 1.00 60.43 C ATOM 240 CD ARG A 16 -7.485 -20.691 7.585 1.00 3.35 C ATOM 241 NE ARG A 16 -8.638 -20.292 6.783 1.00 0.11 N ATOM 242 CZ ARG A 16 -9.740 -19.755 7.296 1.00 45.14 C ATOM 243 NH1 ARG A 16 -9.837 -19.553 8.602 1.00 25.14 N ATOM 244 NH2 ARG A 16 -10.747 -19.418 6.500 1.00 21.03 N ATOM 0 H ARG A 16 -4.870 -20.420 10.374 1.00 70.12 H new ATOM 0 HA ARG A 16 -3.357 -18.782 8.534 1.00 10.14 H new ATOM 0 HB2 ARG A 16 -4.817 -19.589 6.961 1.00 4.14 H new ATOM 0 HB3 ARG A 16 -5.010 -20.845 8.167 1.00 4.14 H new ATOM 0 HG2 ARG A 16 -6.938 -19.225 9.057 1.00 60.43 H new ATOM 0 HG3 ARG A 16 -6.894 -18.633 7.408 1.00 60.43 H new ATOM 0 HD2 ARG A 16 -6.855 -21.365 7.004 1.00 3.35 H new ATOM 0 HD3 ARG A 16 -7.826 -21.247 8.458 1.00 3.35 H new ATOM 0 HE ARG A 16 -8.595 -20.433 5.774 1.00 0.11 H new ATOM 0 HH11 ARG A 16 -9.065 -19.810 9.217 1.00 25.14 H new ATOM 0 HH12 ARG A 16 -10.684 -19.141 8.993 1.00 25.14 H new ATOM 0 HH21 ARG A 16 -10.675 -19.571 5.494 1.00 21.03 H new ATOM 0 HH22 ARG A 16 -11.593 -19.006 6.894 1.00 21.03 H new ATOM 258 N TRP A 17 -5.758 -17.528 10.312 1.00 61.33 N ATOM 259 CA TRP A 17 -6.456 -16.297 10.665 1.00 21.55 C ATOM 260 C TRP A 17 -5.472 -15.227 11.125 1.00 54.21 C ATOM 261 O TRP A 17 -5.297 -14.205 10.461 1.00 70.12 O ATOM 262 CB TRP A 17 -7.485 -16.568 11.765 1.00 65.13 C ATOM 263 CG TRP A 17 -8.015 -15.320 12.402 1.00 0.33 C ATOM 264 CD1 TRP A 17 -8.987 -14.497 11.909 1.00 44.42 C ATOM 265 CD2 TRP A 17 -7.601 -14.752 13.650 1.00 73.30 C ATOM 266 NE1 TRP A 17 -9.202 -13.452 12.775 1.00 42.44 N ATOM 267 CE2 TRP A 17 -8.365 -13.586 13.851 1.00 52.11 C ATOM 268 CE3 TRP A 17 -6.662 -15.117 14.618 1.00 43.01 C ATOM 269 CZ2 TRP A 17 -8.216 -12.784 14.979 1.00 44.30 C ATOM 270 CZ3 TRP A 17 -6.514 -14.320 15.737 1.00 53.52 C ATOM 271 CH2 TRP A 17 -7.288 -13.164 15.910 1.00 33.44 C ATOM 0 H TRP A 17 -5.889 -18.292 10.975 1.00 61.33 H new ATOM 0 HA TRP A 17 -6.971 -15.932 9.776 1.00 21.55 H new ATOM 0 HB2 TRP A 17 -8.316 -17.134 11.344 1.00 65.13 H new ATOM 0 HB3 TRP A 17 -7.030 -17.194 12.532 1.00 65.13 H new ATOM 0 HD1 TRP A 17 -9.510 -14.646 10.976 1.00 44.42 H new ATOM 0 HE1 TRP A 17 -9.876 -12.698 12.639 1.00 42.44 H new ATOM 0 HE3 TRP A 17 -6.062 -16.007 14.494 1.00 43.01 H new ATOM 0 HZ2 TRP A 17 -8.812 -11.893 15.115 1.00 44.30 H new ATOM 0 HZ3 TRP A 17 -5.790 -14.592 16.491 1.00 53.52 H new ATOM 0 HH2 TRP A 17 -7.149 -12.562 16.796 1.00 33.44 H new ATOM 282 N VAL A 18 -4.832 -15.467 12.265 1.00 54.01 N ATOM 283 CA VAL A 18 -3.865 -14.523 12.812 1.00 31.22 C ATOM 284 C VAL A 18 -2.853 -14.098 11.754 1.00 21.33 C ATOM 285 O VAL A 18 -2.510 -12.920 11.645 1.00 75.25 O ATOM 286 CB VAL A 18 -3.113 -15.124 14.015 1.00 71.15 C ATOM 287 CG1 VAL A 18 -2.899 -16.617 13.819 1.00 61.34 C ATOM 288 CG2 VAL A 18 -1.786 -14.410 14.224 1.00 54.23 C ATOM 0 H VAL A 18 -4.966 -16.307 12.828 1.00 54.01 H new ATOM 0 HA VAL A 18 -4.427 -13.650 13.144 1.00 31.22 H new ATOM 0 HB VAL A 18 -3.721 -14.983 14.909 1.00 71.15 H new ATOM 0 HG11 VAL A 18 -2.366 -17.024 14.678 1.00 61.34 H new ATOM 0 HG12 VAL A 18 -3.865 -17.113 13.722 1.00 61.34 H new ATOM 0 HG13 VAL A 18 -2.312 -16.785 12.916 1.00 61.34 H new ATOM 0 HG21 VAL A 18 -1.268 -14.847 15.078 1.00 54.23 H new ATOM 0 HG22 VAL A 18 -1.170 -14.518 13.331 1.00 54.23 H new ATOM 0 HG23 VAL A 18 -1.968 -13.352 14.413 1.00 54.23 H new ATOM 298 N LEU A 19 -2.377 -15.065 10.977 1.00 52.31 N ATOM 299 CA LEU A 19 -1.403 -14.791 9.926 1.00 74.44 C ATOM 300 C LEU A 19 -1.980 -13.839 8.883 1.00 13.23 C ATOM 301 O LEU A 19 -1.242 -13.128 8.203 1.00 43.21 O ATOM 302 CB LEU A 19 -0.967 -16.095 9.255 1.00 34.54 C ATOM 303 CG LEU A 19 0.144 -16.874 9.961 1.00 51.33 C ATOM 304 CD1 LEU A 19 0.194 -18.308 9.457 1.00 42.44 C ATOM 305 CD2 LEU A 19 1.487 -16.188 9.758 1.00 50.43 C ATOM 0 H LEU A 19 -2.649 -16.045 11.055 1.00 52.31 H new ATOM 0 HA LEU A 19 -0.535 -14.317 10.384 1.00 74.44 H new ATOM 0 HB2 LEU A 19 -1.838 -16.744 9.166 1.00 34.54 H new ATOM 0 HB3 LEU A 19 -0.636 -15.866 8.242 1.00 34.54 H new ATOM 0 HG LEU A 19 -0.074 -16.894 11.029 1.00 51.33 H new ATOM 0 HD11 LEU A 19 0.990 -18.847 9.971 1.00 42.44 H new ATOM 0 HD12 LEU A 19 -0.760 -18.796 9.654 1.00 42.44 H new ATOM 0 HD13 LEU A 19 0.388 -18.310 8.384 1.00 42.44 H new ATOM 0 HD21 LEU A 19 2.266 -16.756 10.267 1.00 50.43 H new ATOM 0 HD22 LEU A 19 1.712 -16.137 8.693 1.00 50.43 H new ATOM 0 HD23 LEU A 19 1.446 -15.179 10.169 1.00 50.43 H new ATOM 317 N GLU A 20 -3.304 -13.829 8.766 1.00 35.41 N ATOM 318 CA GLU A 20 -3.980 -12.963 7.807 1.00 3.55 C ATOM 319 C GLU A 20 -4.136 -11.551 8.366 1.00 5.00 C ATOM 320 O GLU A 20 -3.864 -10.567 7.678 1.00 13.54 O ATOM 321 CB GLU A 20 -5.352 -13.535 7.447 1.00 13.24 C ATOM 322 CG GLU A 20 -5.674 -13.458 5.964 1.00 1.34 C ATOM 323 CD GLU A 20 -6.778 -12.465 5.658 1.00 51.33 C ATOM 324 OE1 GLU A 20 -6.900 -11.467 6.399 1.00 53.22 O ATOM 325 OE2 GLU A 20 -7.520 -12.685 4.678 1.00 63.23 O ATOM 0 H GLU A 20 -3.930 -14.411 9.323 1.00 35.41 H new ATOM 0 HA GLU A 20 -3.368 -12.914 6.906 1.00 3.55 H new ATOM 0 HB2 GLU A 20 -5.397 -14.576 7.766 1.00 13.24 H new ATOM 0 HB3 GLU A 20 -6.118 -12.997 8.005 1.00 13.24 H new ATOM 0 HG2 GLU A 20 -4.775 -13.177 5.415 1.00 1.34 H new ATOM 0 HG3 GLU A 20 -5.969 -14.445 5.608 1.00 1.34 H new ATOM 332 N ARG A 21 -4.575 -11.461 9.617 1.00 23.22 N ATOM 333 CA ARG A 21 -4.769 -10.171 10.268 1.00 23.21 C ATOM 334 C ARG A 21 -3.497 -9.331 10.200 1.00 62.03 C ATOM 335 O ARG A 21 -3.553 -8.102 10.198 1.00 5.33 O ATOM 336 CB ARG A 21 -5.184 -10.369 11.727 1.00 21.40 C ATOM 337 CG ARG A 21 -6.291 -11.394 11.911 1.00 30.43 C ATOM 338 CD ARG A 21 -7.468 -11.115 10.990 1.00 41.13 C ATOM 339 NE ARG A 21 -7.851 -9.706 11.003 1.00 13.24 N ATOM 340 CZ ARG A 21 -8.632 -9.148 10.085 1.00 43.52 C ATOM 341 NH1 ARG A 21 -9.109 -9.875 9.085 1.00 75.41 N ATOM 342 NH2 ARG A 21 -8.936 -7.858 10.166 1.00 60.54 N ATOM 0 H ARG A 21 -4.803 -12.266 10.200 1.00 23.22 H new ATOM 0 HA ARG A 21 -5.562 -9.642 9.740 1.00 23.21 H new ATOM 0 HB2 ARG A 21 -4.313 -10.679 12.305 1.00 21.40 H new ATOM 0 HB3 ARG A 21 -5.513 -9.414 12.135 1.00 21.40 H new ATOM 0 HG2 ARG A 21 -5.901 -12.392 11.712 1.00 30.43 H new ATOM 0 HG3 ARG A 21 -6.628 -11.384 12.947 1.00 30.43 H new ATOM 0 HD2 ARG A 21 -7.211 -11.411 9.973 1.00 41.13 H new ATOM 0 HD3 ARG A 21 -8.319 -11.725 11.294 1.00 41.13 H new ATOM 0 HE ARG A 21 -7.499 -9.118 11.759 1.00 13.24 H new ATOM 0 HH11 ARG A 21 -8.877 -10.866 9.019 1.00 75.41 H new ATOM 0 HH12 ARG A 21 -9.709 -9.444 8.382 1.00 75.41 H new ATOM 0 HH21 ARG A 21 -8.570 -7.295 10.934 1.00 60.54 H new ATOM 0 HH22 ARG A 21 -9.536 -7.430 9.461 1.00 60.54 H new ATOM 356 N ALA A 22 -2.352 -10.004 10.144 1.00 41.53 N ATOM 357 CA ALA A 22 -1.067 -9.319 10.074 1.00 63.33 C ATOM 358 C ALA A 22 -1.055 -8.287 8.952 1.00 41.42 C ATOM 359 O ALA A 22 -0.834 -7.098 9.190 1.00 31.40 O ATOM 360 CB ALA A 22 0.057 -10.326 9.879 1.00 63.23 C ATOM 0 H ALA A 22 -2.288 -11.022 10.146 1.00 41.53 H new ATOM 0 HA ALA A 22 -0.911 -8.794 11.016 1.00 63.33 H new ATOM 0 HB1 ALA A 22 1.011 -9.801 9.828 1.00 63.23 H new ATOM 0 HB2 ALA A 22 0.070 -11.023 10.717 1.00 63.23 H new ATOM 0 HB3 ALA A 22 -0.104 -10.876 8.952 1.00 63.23 H new ATOM 366 N LEU A 23 -1.293 -8.746 7.728 1.00 30.34 N ATOM 367 CA LEU A 23 -1.309 -7.862 6.568 1.00 12.14 C ATOM 368 C LEU A 23 -2.675 -7.202 6.405 1.00 21.54 C ATOM 369 O LEU A 23 -2.790 -6.127 5.819 1.00 42.04 O ATOM 370 CB LEU A 23 -0.953 -8.643 5.302 1.00 3.42 C ATOM 371 CG LEU A 23 0.080 -9.757 5.470 1.00 62.55 C ATOM 372 CD1 LEU A 23 0.494 -10.309 4.114 1.00 25.22 C ATOM 373 CD2 LEU A 23 1.294 -9.250 6.234 1.00 11.33 C ATOM 0 H LEU A 23 -1.478 -9.726 7.513 1.00 30.34 H new ATOM 0 HA LEU A 23 -0.565 -7.081 6.727 1.00 12.14 H new ATOM 0 HB2 LEU A 23 -1.867 -9.080 4.899 1.00 3.42 H new ATOM 0 HB3 LEU A 23 -0.581 -7.939 4.557 1.00 3.42 H new ATOM 0 HG LEU A 23 -0.375 -10.563 6.045 1.00 62.55 H new ATOM 0 HD11 LEU A 23 1.230 -11.101 4.253 1.00 25.22 H new ATOM 0 HD12 LEU A 23 -0.380 -10.712 3.603 1.00 25.22 H new ATOM 0 HD13 LEU A 23 0.930 -9.510 3.514 1.00 25.22 H new ATOM 0 HD21 LEU A 23 2.018 -10.057 6.344 1.00 11.33 H new ATOM 0 HD22 LEU A 23 1.750 -8.425 5.686 1.00 11.33 H new ATOM 0 HD23 LEU A 23 0.985 -8.904 7.220 1.00 11.33 H new ATOM 385 N ALA A 24 -3.707 -7.854 6.931 1.00 53.02 N ATOM 386 CA ALA A 24 -5.065 -7.329 6.847 1.00 5.04 C ATOM 387 C ALA A 24 -5.114 -5.866 7.274 1.00 13.21 C ATOM 388 O ALA A 24 -5.818 -5.057 6.671 1.00 50.21 O ATOM 389 CB ALA A 24 -6.006 -8.163 7.703 1.00 15.32 C ATOM 0 H ALA A 24 -3.629 -8.746 7.419 1.00 53.02 H new ATOM 0 HA ALA A 24 -5.389 -7.388 5.808 1.00 5.04 H new ATOM 0 HB1 ALA A 24 -7.016 -7.760 7.631 1.00 15.32 H new ATOM 0 HB2 ALA A 24 -6.001 -9.194 7.351 1.00 15.32 H new ATOM 0 HB3 ALA A 24 -5.676 -8.133 8.741 1.00 15.32 H new ATOM 395 N GLY A 25 -4.363 -5.533 8.319 1.00 3.22 N ATOM 396 CA GLY A 25 -4.337 -4.167 8.809 1.00 23.11 C ATOM 397 C GLY A 25 -3.313 -3.312 8.089 1.00 71.12 C ATOM 398 O GLY A 25 -3.388 -2.084 8.120 1.00 24.22 O ATOM 0 H GLY A 25 -3.772 -6.185 8.835 1.00 3.22 H new ATOM 0 HA2 GLY A 25 -5.325 -3.723 8.690 1.00 23.11 H new ATOM 0 HA3 GLY A 25 -4.116 -4.171 9.876 1.00 23.11 H new ATOM 402 N ALA A 26 -2.353 -3.962 7.439 1.00 32.42 N ATOM 403 CA ALA A 26 -1.310 -3.254 6.708 1.00 54.32 C ATOM 404 C ALA A 26 -1.647 -3.160 5.224 1.00 75.24 C ATOM 405 O ALA A 26 -2.769 -3.455 4.812 1.00 43.31 O ATOM 406 CB ALA A 26 0.032 -3.942 6.904 1.00 44.12 C ATOM 0 H ALA A 26 -2.276 -4.979 7.404 1.00 32.42 H new ATOM 0 HA ALA A 26 -1.247 -2.241 7.104 1.00 54.32 H new ATOM 0 HB1 ALA A 26 0.802 -3.402 6.352 1.00 44.12 H new ATOM 0 HB2 ALA A 26 0.285 -3.951 7.964 1.00 44.12 H new ATOM 0 HB3 ALA A 26 -0.027 -4.966 6.536 1.00 44.12 H new ATOM 412 N GLY A 27 -0.669 -2.747 4.424 1.00 63.42 N ATOM 413 CA GLY A 27 -0.882 -2.622 2.994 1.00 53.41 C ATOM 414 C GLY A 27 -0.226 -3.740 2.209 1.00 31.21 C ATOM 415 O GLY A 27 0.455 -3.493 1.213 1.00 60.21 O ATOM 0 H GLY A 27 0.268 -2.497 4.741 1.00 63.42 H new ATOM 0 HA2 GLY A 27 -1.952 -2.618 2.788 1.00 53.41 H new ATOM 0 HA3 GLY A 27 -0.488 -1.664 2.654 1.00 53.41 H new ATOM 419 N LEU A 28 -0.429 -4.974 2.658 1.00 10.23 N ATOM 420 CA LEU A 28 0.150 -6.135 1.992 1.00 74.40 C ATOM 421 C LEU A 28 -0.901 -7.221 1.779 1.00 0.44 C ATOM 422 O LEU A 28 -1.724 -7.484 2.657 1.00 72.24 O ATOM 423 CB LEU A 28 1.314 -6.691 2.813 1.00 25.20 C ATOM 424 CG LEU A 28 1.789 -5.823 3.979 1.00 52.54 C ATOM 425 CD1 LEU A 28 2.733 -6.605 4.878 1.00 61.12 C ATOM 426 CD2 LEU A 28 2.464 -4.560 3.463 1.00 64.44 C ATOM 0 H LEU A 28 -0.990 -5.196 3.480 1.00 10.23 H new ATOM 0 HA LEU A 28 0.520 -5.817 1.017 1.00 74.40 H new ATOM 0 HB2 LEU A 28 1.022 -7.665 3.207 1.00 25.20 H new ATOM 0 HB3 LEU A 28 2.158 -6.858 2.143 1.00 25.20 H new ATOM 0 HG LEU A 28 0.919 -5.532 4.568 1.00 52.54 H new ATOM 0 HD11 LEU A 28 3.060 -5.970 5.702 1.00 61.12 H new ATOM 0 HD12 LEU A 28 2.216 -7.479 5.276 1.00 61.12 H new ATOM 0 HD13 LEU A 28 3.600 -6.928 4.302 1.00 61.12 H new ATOM 0 HD21 LEU A 28 2.796 -3.954 4.306 1.00 64.44 H new ATOM 0 HD22 LEU A 28 3.324 -4.831 2.851 1.00 64.44 H new ATOM 0 HD23 LEU A 28 1.756 -3.989 2.862 1.00 64.44 H new ATOM 438 N THR A 29 -0.866 -7.850 0.609 1.00 52.34 N ATOM 439 CA THR A 29 -1.814 -8.907 0.281 1.00 61.23 C ATOM 440 C THR A 29 -1.547 -10.161 1.106 1.00 4.52 C ATOM 441 O THR A 29 -0.396 -10.552 1.302 1.00 24.32 O ATOM 442 CB THR A 29 -1.756 -9.269 -1.215 1.00 60.53 C ATOM 443 OG1 THR A 29 -1.721 -8.077 -2.007 1.00 53.12 O ATOM 444 CG2 THR A 29 -2.956 -10.115 -1.614 1.00 53.53 C ATOM 0 H THR A 29 -0.191 -7.646 -0.128 1.00 52.34 H new ATOM 0 HA THR A 29 -2.807 -8.525 0.517 1.00 61.23 H new ATOM 0 HB THR A 29 -0.849 -9.848 -1.391 1.00 60.53 H new ATOM 0 HG1 THR A 29 -1.682 -8.316 -2.957 1.00 53.12 H new ATOM 0 HG21 THR A 29 -2.893 -10.358 -2.675 1.00 53.53 H new ATOM 0 HG22 THR A 29 -2.962 -11.036 -1.030 1.00 53.53 H new ATOM 0 HG23 THR A 29 -3.873 -9.558 -1.423 1.00 53.53 H new ATOM 452 N CYS A 30 -2.616 -10.786 1.587 1.00 44.41 N ATOM 453 CA CYS A 30 -2.496 -11.996 2.392 1.00 1.10 C ATOM 454 C CYS A 30 -3.324 -13.129 1.796 1.00 34.43 C ATOM 455 O CYS A 30 -4.555 -13.083 1.801 1.00 71.11 O ATOM 456 CB CYS A 30 -2.941 -11.723 3.829 1.00 33.35 C ATOM 457 SG CYS A 30 -4.491 -10.801 3.960 1.00 42.33 S ATOM 0 H CYS A 30 -3.575 -10.475 1.434 1.00 44.41 H new ATOM 0 HA CYS A 30 -1.449 -12.299 2.395 1.00 1.10 H new ATOM 0 HB2 CYS A 30 -3.051 -12.674 4.351 1.00 33.35 H new ATOM 0 HB3 CYS A 30 -2.156 -11.167 4.342 1.00 33.35 H new ATOM 0 HG CYS A 30 -5.344 -11.262 3.094 1.00 42.33 H new ATOM 463 N THR A 31 -2.642 -14.147 1.282 1.00 63.54 N ATOM 464 CA THR A 31 -3.314 -15.292 0.679 1.00 2.22 C ATOM 465 C THR A 31 -3.112 -16.551 1.515 1.00 45.33 C ATOM 466 O THR A 31 -1.985 -17.016 1.694 1.00 54.12 O ATOM 467 CB THR A 31 -2.806 -15.552 -0.752 1.00 34.03 C ATOM 468 OG1 THR A 31 -2.919 -14.359 -1.536 1.00 25.12 O ATOM 469 CG2 THR A 31 -3.596 -16.674 -1.410 1.00 45.31 C ATOM 0 H THR A 31 -1.624 -14.202 1.271 1.00 63.54 H new ATOM 0 HA THR A 31 -4.376 -15.051 0.641 1.00 2.22 H new ATOM 0 HB THR A 31 -1.759 -15.851 -0.694 1.00 34.03 H new ATOM 0 HG1 THR A 31 -2.036 -14.108 -1.879 1.00 25.12 H new ATOM 0 HG21 THR A 31 -3.220 -16.840 -2.420 1.00 45.31 H new ATOM 0 HG22 THR A 31 -3.485 -17.588 -0.826 1.00 45.31 H new ATOM 0 HG23 THR A 31 -4.650 -16.399 -1.456 1.00 45.31 H new ATOM 477 N THR A 32 -4.210 -17.100 2.025 1.00 43.23 N ATOM 478 CA THR A 32 -4.153 -18.305 2.842 1.00 63.10 C ATOM 479 C THR A 32 -4.574 -19.532 2.042 1.00 73.31 C ATOM 480 O THR A 32 -5.601 -19.520 1.362 1.00 43.00 O ATOM 481 CB THR A 32 -5.053 -18.183 4.086 1.00 23.41 C ATOM 482 OG1 THR A 32 -6.424 -18.067 3.689 1.00 3.35 O ATOM 483 CG2 THR A 32 -4.657 -16.977 4.924 1.00 55.31 C ATOM 0 H THR A 32 -5.150 -16.729 1.886 1.00 43.23 H new ATOM 0 HA THR A 32 -3.118 -18.421 3.162 1.00 63.10 H new ATOM 0 HB THR A 32 -4.926 -19.082 4.690 1.00 23.41 H new ATOM 0 HG1 THR A 32 -6.990 -17.992 4.486 1.00 3.35 H new ATOM 0 HG21 THR A 32 -5.306 -16.911 5.797 1.00 55.31 H new ATOM 0 HG22 THR A 32 -3.622 -17.084 5.249 1.00 55.31 H new ATOM 0 HG23 THR A 32 -4.758 -16.070 4.327 1.00 55.31 H new ATOM 491 N PHE A 33 -3.777 -20.592 2.128 1.00 45.42 N ATOM 492 CA PHE A 33 -4.067 -21.828 1.411 1.00 14.20 C ATOM 493 C PHE A 33 -4.323 -22.974 2.385 1.00 32.02 C ATOM 494 O PHE A 33 -4.407 -22.766 3.595 1.00 34.21 O ATOM 495 CB PHE A 33 -2.909 -22.186 0.478 1.00 40.33 C ATOM 496 CG PHE A 33 -2.679 -21.173 -0.608 1.00 24.25 C ATOM 497 CD1 PHE A 33 -3.403 -21.226 -1.788 1.00 30.05 C ATOM 498 CD2 PHE A 33 -1.738 -20.168 -0.447 1.00 73.35 C ATOM 499 CE1 PHE A 33 -3.192 -20.296 -2.788 1.00 14.01 C ATOM 500 CE2 PHE A 33 -1.524 -19.235 -1.444 1.00 64.13 C ATOM 501 CZ PHE A 33 -2.252 -19.299 -2.616 1.00 15.44 C ATOM 0 H PHE A 33 -2.925 -20.620 2.688 1.00 45.42 H new ATOM 0 HA PHE A 33 -4.967 -21.671 0.817 1.00 14.20 H new ATOM 0 HB2 PHE A 33 -1.997 -22.289 1.066 1.00 40.33 H new ATOM 0 HB3 PHE A 33 -3.106 -23.157 0.023 1.00 40.33 H new ATOM 0 HD1 PHE A 33 -4.140 -22.003 -1.928 1.00 30.05 H new ATOM 0 HD2 PHE A 33 -1.166 -20.113 0.467 1.00 73.35 H new ATOM 0 HE1 PHE A 33 -3.762 -20.349 -3.704 1.00 14.01 H new ATOM 0 HE2 PHE A 33 -0.788 -18.457 -1.307 1.00 64.13 H new ATOM 0 HZ PHE A 33 -2.086 -18.571 -3.396 1.00 15.44 H new ATOM 511 N GLU A 34 -4.446 -24.184 1.847 1.00 15.54 N ATOM 512 CA GLU A 34 -4.694 -25.362 2.669 1.00 32.41 C ATOM 513 C GLU A 34 -3.959 -26.578 2.112 1.00 73.21 C ATOM 514 O GLU A 34 -4.230 -27.713 2.502 1.00 10.13 O ATOM 515 CB GLU A 34 -6.195 -25.651 2.747 1.00 61.35 C ATOM 516 CG GLU A 34 -6.861 -25.779 1.387 1.00 60.41 C ATOM 517 CD GLU A 34 -8.192 -26.504 1.455 1.00 5.41 C ATOM 518 OE1 GLU A 34 -8.192 -27.750 1.377 1.00 74.13 O ATOM 519 OE2 GLU A 34 -9.231 -25.825 1.586 1.00 12.44 O ATOM 0 H GLU A 34 -4.378 -24.373 0.847 1.00 15.54 H new ATOM 0 HA GLU A 34 -4.318 -25.159 3.672 1.00 32.41 H new ATOM 0 HB2 GLU A 34 -6.350 -26.573 3.307 1.00 61.35 H new ATOM 0 HB3 GLU A 34 -6.682 -24.852 3.307 1.00 61.35 H new ATOM 0 HG2 GLU A 34 -7.014 -24.785 0.967 1.00 60.41 H new ATOM 0 HG3 GLU A 34 -6.195 -26.313 0.709 1.00 60.41 H new ATOM 526 N ASN A 35 -3.028 -26.331 1.196 1.00 12.01 N ATOM 527 CA ASN A 35 -2.254 -27.405 0.584 1.00 55.23 C ATOM 528 C ASN A 35 -1.022 -26.851 -0.124 1.00 65.43 C ATOM 529 O ASN A 35 -1.131 -26.021 -1.025 1.00 44.04 O ATOM 530 CB ASN A 35 -3.120 -28.183 -0.409 1.00 71.13 C ATOM 531 CG ASN A 35 -3.423 -29.591 0.067 1.00 12.53 C ATOM 532 OD1 ASN A 35 -2.643 -30.188 0.809 1.00 15.03 O ATOM 533 ND2 ASN A 35 -4.561 -30.127 -0.359 1.00 21.03 N ATOM 0 H ASN A 35 -2.791 -25.397 0.861 1.00 12.01 H new ATOM 0 HA ASN A 35 -1.925 -28.079 1.375 1.00 55.23 H new ATOM 0 HB2 ASN A 35 -4.056 -27.647 -0.568 1.00 71.13 H new ATOM 0 HB3 ASN A 35 -2.611 -28.230 -1.372 1.00 71.13 H new ATOM 0 HD21 ASN A 35 -4.819 -31.071 -0.072 1.00 21.03 H new ATOM 0 HD22 ASN A 35 -5.177 -29.595 -0.973 1.00 21.03 H new ATOM 540 N GLY A 36 0.152 -27.319 0.290 1.00 2.35 N ATOM 541 CA GLY A 36 1.389 -26.860 -0.315 1.00 30.24 C ATOM 542 C GLY A 36 1.383 -27.001 -1.824 1.00 22.31 C ATOM 543 O GLY A 36 1.820 -26.101 -2.540 1.00 31.14 O ATOM 0 H GLY A 36 0.268 -28.008 1.033 1.00 2.35 H new ATOM 0 HA2 GLY A 36 1.553 -25.815 -0.051 1.00 30.24 H new ATOM 0 HA3 GLY A 36 2.224 -27.427 0.097 1.00 30.24 H new ATOM 547 N ASN A 37 0.888 -28.136 -2.309 1.00 4.53 N ATOM 548 CA ASN A 37 0.830 -28.392 -3.743 1.00 72.41 C ATOM 549 C ASN A 37 -0.044 -27.357 -4.446 1.00 25.51 C ATOM 550 O ASN A 37 0.057 -27.167 -5.657 1.00 54.04 O ATOM 551 CB ASN A 37 0.288 -29.798 -4.009 1.00 30.41 C ATOM 552 CG ASN A 37 -1.219 -29.876 -3.855 1.00 43.00 C ATOM 553 OD1 ASN A 37 -1.966 -29.375 -4.695 1.00 12.51 O ATOM 554 ND2 ASN A 37 -1.672 -30.507 -2.778 1.00 4.43 N ATOM 0 H ASN A 37 0.522 -28.892 -1.730 1.00 4.53 H new ATOM 0 HA ASN A 37 1.842 -28.318 -4.141 1.00 72.41 H new ATOM 0 HB2 ASN A 37 0.564 -30.106 -5.018 1.00 30.41 H new ATOM 0 HB3 ASN A 37 0.758 -30.501 -3.321 1.00 30.41 H new ATOM 0 HD21 ASN A 37 -2.676 -30.591 -2.621 1.00 4.43 H new ATOM 0 HD22 ASN A 37 -1.016 -30.907 -2.108 1.00 4.43 H new ATOM 561 N GLU A 38 -0.899 -26.692 -3.676 1.00 2.00 N ATOM 562 CA GLU A 38 -1.790 -25.677 -4.225 1.00 44.44 C ATOM 563 C GLU A 38 -1.126 -24.303 -4.207 1.00 44.22 C ATOM 564 O GLU A 38 -1.521 -23.400 -4.945 1.00 2.12 O ATOM 565 CB GLU A 38 -3.099 -25.633 -3.435 1.00 2.04 C ATOM 566 CG GLU A 38 -4.339 -25.596 -4.312 1.00 21.21 C ATOM 567 CD GLU A 38 -5.559 -26.173 -3.621 1.00 54.11 C ATOM 568 OE1 GLU A 38 -5.393 -27.094 -2.795 1.00 24.42 O ATOM 569 OE2 GLU A 38 -6.681 -25.703 -3.907 1.00 24.43 O ATOM 0 H GLU A 38 -0.994 -26.838 -2.671 1.00 2.00 H new ATOM 0 HA GLU A 38 -2.008 -25.943 -5.259 1.00 44.44 H new ATOM 0 HB2 GLU A 38 -3.150 -26.506 -2.785 1.00 2.04 H new ATOM 0 HB3 GLU A 38 -3.095 -24.755 -2.790 1.00 2.04 H new ATOM 0 HG2 GLU A 38 -4.544 -24.565 -4.602 1.00 21.21 H new ATOM 0 HG3 GLU A 38 -4.148 -26.153 -5.229 1.00 21.21 H new ATOM 576 N VAL A 39 -0.114 -24.152 -3.358 1.00 60.20 N ATOM 577 CA VAL A 39 0.606 -22.890 -3.243 1.00 1.41 C ATOM 578 C VAL A 39 1.785 -22.839 -4.209 1.00 34.14 C ATOM 579 O VAL A 39 2.082 -21.794 -4.788 1.00 40.25 O ATOM 580 CB VAL A 39 1.122 -22.666 -1.809 1.00 33.32 C ATOM 581 CG1 VAL A 39 1.598 -21.233 -1.630 1.00 0.14 C ATOM 582 CG2 VAL A 39 0.040 -23.008 -0.795 1.00 63.20 C ATOM 0 H VAL A 39 0.225 -24.889 -2.740 1.00 60.20 H new ATOM 0 HA VAL A 39 -0.101 -22.099 -3.495 1.00 1.41 H new ATOM 0 HB VAL A 39 1.971 -23.329 -1.639 1.00 33.32 H new ATOM 0 HG11 VAL A 39 1.959 -21.094 -0.611 1.00 0.14 H new ATOM 0 HG12 VAL A 39 2.406 -21.028 -2.332 1.00 0.14 H new ATOM 0 HG13 VAL A 39 0.771 -20.549 -1.819 1.00 0.14 H new ATOM 0 HG21 VAL A 39 0.421 -22.844 0.213 1.00 63.20 H new ATOM 0 HG22 VAL A 39 -0.829 -22.372 -0.962 1.00 63.20 H new ATOM 0 HG23 VAL A 39 -0.248 -24.053 -0.909 1.00 63.20 H new ATOM 592 N LEU A 40 2.453 -23.975 -4.378 1.00 13.33 N ATOM 593 CA LEU A 40 3.600 -24.061 -5.275 1.00 20.24 C ATOM 594 C LEU A 40 3.267 -23.476 -6.643 1.00 74.02 C ATOM 595 O LEU A 40 4.040 -22.699 -7.202 1.00 50.11 O ATOM 596 CB LEU A 40 4.047 -25.517 -5.425 1.00 15.54 C ATOM 597 CG LEU A 40 4.753 -25.870 -6.734 1.00 33.41 C ATOM 598 CD1 LEU A 40 5.921 -24.929 -6.982 1.00 13.40 C ATOM 599 CD2 LEU A 40 5.227 -27.316 -6.710 1.00 73.33 C ATOM 0 H LEU A 40 2.220 -24.849 -3.906 1.00 13.33 H new ATOM 0 HA LEU A 40 4.414 -23.480 -4.841 1.00 20.24 H new ATOM 0 HB2 LEU A 40 4.715 -25.758 -4.598 1.00 15.54 H new ATOM 0 HB3 LEU A 40 3.171 -26.157 -5.324 1.00 15.54 H new ATOM 0 HG LEU A 40 4.041 -25.754 -7.551 1.00 33.41 H new ATOM 0 HD11 LEU A 40 6.411 -25.196 -7.918 1.00 13.40 H new ATOM 0 HD12 LEU A 40 5.556 -23.904 -7.043 1.00 13.40 H new ATOM 0 HD13 LEU A 40 6.635 -25.011 -6.163 1.00 13.40 H new ATOM 0 HD21 LEU A 40 5.727 -27.551 -7.650 1.00 73.33 H new ATOM 0 HD22 LEU A 40 5.923 -27.457 -5.883 1.00 73.33 H new ATOM 0 HD23 LEU A 40 4.371 -27.978 -6.580 1.00 73.33 H new ATOM 611 N ALA A 41 2.109 -23.853 -7.176 1.00 62.43 N ATOM 612 CA ALA A 41 1.671 -23.363 -8.477 1.00 43.22 C ATOM 613 C ALA A 41 1.263 -21.896 -8.401 1.00 54.45 C ATOM 614 O ALA A 41 1.331 -21.171 -9.393 1.00 51.44 O ATOM 615 CB ALA A 41 0.518 -24.208 -8.999 1.00 44.51 C ATOM 0 H ALA A 41 1.457 -24.496 -6.727 1.00 62.43 H new ATOM 0 HA ALA A 41 2.509 -23.445 -9.170 1.00 43.22 H new ATOM 0 HB1 ALA A 41 0.201 -23.830 -9.971 1.00 44.51 H new ATOM 0 HB2 ALA A 41 0.843 -25.244 -9.100 1.00 44.51 H new ATOM 0 HB3 ALA A 41 -0.317 -24.156 -8.300 1.00 44.51 H new ATOM 621 N ALA A 42 0.837 -21.465 -7.218 1.00 61.04 N ATOM 622 CA ALA A 42 0.419 -20.084 -7.013 1.00 54.14 C ATOM 623 C ALA A 42 1.565 -19.116 -7.288 1.00 30.52 C ATOM 624 O ALA A 42 1.355 -18.022 -7.813 1.00 64.34 O ATOM 625 CB ALA A 42 -0.106 -19.896 -5.598 1.00 2.14 C ATOM 0 H ALA A 42 0.772 -22.053 -6.387 1.00 61.04 H new ATOM 0 HA ALA A 42 -0.383 -19.865 -7.718 1.00 54.14 H new ATOM 0 HB1 ALA A 42 -0.415 -18.860 -5.459 1.00 2.14 H new ATOM 0 HB2 ALA A 42 -0.960 -20.554 -5.436 1.00 2.14 H new ATOM 0 HB3 ALA A 42 0.680 -20.139 -4.883 1.00 2.14 H new ATOM 631 N LEU A 43 2.777 -19.525 -6.929 1.00 33.44 N ATOM 632 CA LEU A 43 3.957 -18.694 -7.136 1.00 25.14 C ATOM 633 C LEU A 43 4.136 -18.360 -8.613 1.00 54.51 C ATOM 634 O LEU A 43 4.534 -17.250 -8.965 1.00 10.54 O ATOM 635 CB LEU A 43 5.205 -19.405 -6.608 1.00 11.00 C ATOM 636 CG LEU A 43 5.018 -20.235 -5.337 1.00 54.24 C ATOM 637 CD1 LEU A 43 6.365 -20.660 -4.774 1.00 73.11 C ATOM 638 CD2 LEU A 43 4.227 -19.451 -4.300 1.00 3.31 C ATOM 0 H LEU A 43 2.968 -20.427 -6.493 1.00 33.44 H new ATOM 0 HA LEU A 43 3.816 -17.763 -6.586 1.00 25.14 H new ATOM 0 HB2 LEU A 43 5.585 -20.059 -7.393 1.00 11.00 H new ATOM 0 HB3 LEU A 43 5.973 -18.655 -6.418 1.00 11.00 H new ATOM 0 HG LEU A 43 4.455 -21.133 -5.592 1.00 54.24 H new ATOM 0 HD11 LEU A 43 6.212 -21.249 -3.870 1.00 73.11 H new ATOM 0 HD12 LEU A 43 6.895 -21.260 -5.513 1.00 73.11 H new ATOM 0 HD13 LEU A 43 6.955 -19.775 -4.535 1.00 73.11 H new ATOM 0 HD21 LEU A 43 4.103 -20.057 -3.402 1.00 3.31 H new ATOM 0 HD22 LEU A 43 4.763 -18.536 -4.049 1.00 3.31 H new ATOM 0 HD23 LEU A 43 3.247 -19.198 -4.705 1.00 3.31 H new ATOM 650 N ALA A 44 3.836 -19.327 -9.474 1.00 13.32 N ATOM 651 CA ALA A 44 3.959 -19.133 -10.913 1.00 74.43 C ATOM 652 C ALA A 44 2.980 -18.075 -11.411 1.00 34.23 C ATOM 653 O ALA A 44 3.076 -17.612 -12.547 1.00 3.41 O ATOM 654 CB ALA A 44 3.733 -20.449 -11.644 1.00 12.13 C ATOM 0 H ALA A 44 3.506 -20.252 -9.200 1.00 13.32 H new ATOM 0 HA ALA A 44 4.970 -18.782 -11.122 1.00 74.43 H new ATOM 0 HB1 ALA A 44 3.828 -20.290 -12.718 1.00 12.13 H new ATOM 0 HB2 ALA A 44 4.475 -21.178 -11.319 1.00 12.13 H new ATOM 0 HB3 ALA A 44 2.734 -20.823 -11.420 1.00 12.13 H new ATOM 660 N SER A 45 2.037 -17.698 -10.553 1.00 32.01 N ATOM 661 CA SER A 45 1.037 -16.698 -10.907 1.00 50.53 C ATOM 662 C SER A 45 1.628 -15.292 -10.841 1.00 74.35 C ATOM 663 O SER A 45 1.845 -14.648 -11.868 1.00 72.31 O ATOM 664 CB SER A 45 -0.171 -16.800 -9.974 1.00 3.34 C ATOM 665 OG SER A 45 -0.654 -18.130 -9.909 1.00 72.10 O ATOM 0 H SER A 45 1.945 -18.070 -9.608 1.00 32.01 H new ATOM 0 HA SER A 45 0.713 -16.890 -11.930 1.00 50.53 H new ATOM 0 HB2 SER A 45 0.107 -16.462 -8.976 1.00 3.34 H new ATOM 0 HB3 SER A 45 -0.963 -16.139 -10.326 1.00 3.34 H new ATOM 0 HG SER A 45 -1.425 -18.169 -9.305 1.00 72.10 H new ATOM 671 N LYS A 46 1.885 -14.822 -9.626 1.00 24.22 N ATOM 672 CA LYS A 46 2.452 -13.494 -9.423 1.00 30.12 C ATOM 673 C LYS A 46 3.745 -13.571 -8.617 1.00 35.55 C ATOM 674 O LYS A 46 4.486 -12.593 -8.516 1.00 32.11 O ATOM 675 CB LYS A 46 1.445 -12.591 -8.707 1.00 31.54 C ATOM 676 CG LYS A 46 0.821 -13.231 -7.478 1.00 70.03 C ATOM 677 CD LYS A 46 -0.271 -12.355 -6.887 1.00 61.02 C ATOM 678 CE LYS A 46 0.274 -11.004 -6.449 1.00 62.33 C ATOM 679 NZ LYS A 46 0.098 -9.967 -7.503 1.00 52.11 N ATOM 0 H LYS A 46 1.710 -15.341 -8.766 1.00 24.22 H new ATOM 0 HA LYS A 46 2.679 -13.070 -10.401 1.00 30.12 H new ATOM 0 HB2 LYS A 46 1.943 -11.667 -8.412 1.00 31.54 H new ATOM 0 HB3 LYS A 46 0.654 -12.318 -9.405 1.00 31.54 H new ATOM 0 HG2 LYS A 46 0.405 -14.203 -7.744 1.00 70.03 H new ATOM 0 HG3 LYS A 46 1.592 -13.409 -6.728 1.00 70.03 H new ATOM 0 HD2 LYS A 46 -1.060 -12.208 -7.624 1.00 61.02 H new ATOM 0 HD3 LYS A 46 -0.722 -12.861 -6.033 1.00 61.02 H new ATOM 0 HE2 LYS A 46 -0.233 -10.686 -5.538 1.00 62.33 H new ATOM 0 HE3 LYS A 46 1.333 -11.100 -6.207 1.00 62.33 H new ATOM 0 HZ1 LYS A 46 0.982 -9.431 -7.613 1.00 52.11 H new ATOM 0 HZ2 LYS A 46 -0.144 -10.426 -8.405 1.00 52.11 H new ATOM 0 HZ3 LYS A 46 -0.668 -9.319 -7.228 1.00 52.11 H new ATOM 693 N THR A 47 4.011 -14.741 -8.044 1.00 34.50 N ATOM 694 CA THR A 47 5.214 -14.946 -7.247 1.00 75.51 C ATOM 695 C THR A 47 5.253 -13.995 -6.056 1.00 70.54 C ATOM 696 O THR A 47 5.508 -12.799 -6.195 1.00 1.00 O ATOM 697 CB THR A 47 6.487 -14.748 -8.091 1.00 11.32 C ATOM 698 OG1 THR A 47 6.141 -14.601 -9.473 1.00 21.04 O ATOM 699 CG2 THR A 47 7.437 -15.924 -7.923 1.00 34.14 C ATOM 0 H THR A 47 3.409 -15.561 -8.117 1.00 34.50 H new ATOM 0 HA THR A 47 5.183 -15.974 -6.886 1.00 75.51 H new ATOM 0 HB THR A 47 6.989 -13.844 -7.744 1.00 11.32 H new ATOM 0 HG1 THR A 47 6.956 -14.474 -10.003 1.00 21.04 H new ATOM 0 HG21 THR A 47 8.328 -15.761 -8.529 1.00 34.14 H new ATOM 0 HG22 THR A 47 7.722 -16.015 -6.875 1.00 34.14 H new ATOM 0 HG23 THR A 47 6.942 -16.840 -8.245 1.00 34.14 H new ATOM 707 N PRO A 48 4.995 -14.537 -4.857 1.00 25.13 N ATOM 708 CA PRO A 48 4.997 -13.754 -3.618 1.00 10.23 C ATOM 709 C PRO A 48 6.397 -13.299 -3.221 1.00 24.21 C ATOM 710 O PRO A 48 7.380 -13.634 -3.883 1.00 52.33 O ATOM 711 CB PRO A 48 4.438 -14.730 -2.580 1.00 33.21 C ATOM 712 CG PRO A 48 4.757 -16.081 -3.121 1.00 33.34 C ATOM 713 CD PRO A 48 4.684 -15.956 -4.617 1.00 75.23 C ATOM 0 HA PRO A 48 4.417 -12.836 -3.716 1.00 10.23 H new ATOM 0 HB2 PRO A 48 4.897 -14.576 -1.604 1.00 33.21 H new ATOM 0 HB3 PRO A 48 3.364 -14.599 -2.451 1.00 33.21 H new ATOM 0 HG2 PRO A 48 5.749 -16.404 -2.804 1.00 33.34 H new ATOM 0 HG3 PRO A 48 4.048 -16.825 -2.757 1.00 33.34 H new ATOM 0 HD2 PRO A 48 5.400 -16.613 -5.110 1.00 75.23 H new ATOM 0 HD3 PRO A 48 3.696 -16.220 -4.994 1.00 75.23 H new ATOM 721 N ASP A 49 6.482 -12.536 -2.137 1.00 14.01 N ATOM 722 CA ASP A 49 7.763 -12.037 -1.651 1.00 13.30 C ATOM 723 C ASP A 49 8.239 -12.844 -0.447 1.00 43.24 C ATOM 724 O ASP A 49 9.387 -12.722 -0.020 1.00 3.41 O ATOM 725 CB ASP A 49 7.649 -10.558 -1.277 1.00 22.14 C ATOM 726 CG ASP A 49 7.662 -9.651 -2.491 1.00 51.21 C ATOM 727 OD1 ASP A 49 7.032 -10.011 -3.508 1.00 12.33 O ATOM 728 OD2 ASP A 49 8.301 -8.580 -2.425 1.00 22.33 O ATOM 0 H ASP A 49 5.679 -12.249 -1.578 1.00 14.01 H new ATOM 0 HA ASP A 49 8.495 -12.146 -2.451 1.00 13.30 H new ATOM 0 HB2 ASP A 49 6.727 -10.398 -0.717 1.00 22.14 H new ATOM 0 HB3 ASP A 49 8.474 -10.289 -0.617 1.00 22.14 H new ATOM 733 N VAL A 50 7.349 -13.668 0.096 1.00 63.32 N ATOM 734 CA VAL A 50 7.679 -14.496 1.250 1.00 15.33 C ATOM 735 C VAL A 50 6.492 -15.360 1.663 1.00 4.35 C ATOM 736 O VAL A 50 5.339 -14.936 1.570 1.00 24.32 O ATOM 737 CB VAL A 50 8.116 -13.636 2.451 1.00 50.42 C ATOM 738 CG1 VAL A 50 7.060 -12.588 2.770 1.00 23.13 C ATOM 739 CG2 VAL A 50 8.392 -14.513 3.662 1.00 34.42 C ATOM 0 H VAL A 50 6.394 -13.780 -0.244 1.00 63.32 H new ATOM 0 HA VAL A 50 8.507 -15.139 0.952 1.00 15.33 H new ATOM 0 HB VAL A 50 9.039 -13.119 2.189 1.00 50.42 H new ATOM 0 HG11 VAL A 50 7.386 -11.990 3.621 1.00 23.13 H new ATOM 0 HG12 VAL A 50 6.917 -11.940 1.905 1.00 23.13 H new ATOM 0 HG13 VAL A 50 6.119 -13.082 3.013 1.00 23.13 H new ATOM 0 HG21 VAL A 50 8.700 -13.889 4.501 1.00 34.42 H new ATOM 0 HG22 VAL A 50 7.488 -15.060 3.929 1.00 34.42 H new ATOM 0 HG23 VAL A 50 9.187 -15.220 3.425 1.00 34.42 H new ATOM 749 N LEU A 51 6.782 -16.573 2.121 1.00 41.30 N ATOM 750 CA LEU A 51 5.739 -17.498 2.550 1.00 40.01 C ATOM 751 C LEU A 51 5.887 -17.838 4.029 1.00 5.14 C ATOM 752 O LEU A 51 6.922 -17.564 4.640 1.00 54.32 O ATOM 753 CB LEU A 51 5.789 -18.778 1.713 1.00 4.43 C ATOM 754 CG LEU A 51 4.504 -19.145 0.971 1.00 20.42 C ATOM 755 CD1 LEU A 51 4.815 -19.579 -0.453 1.00 23.33 C ATOM 756 CD2 LEU A 51 3.755 -20.243 1.713 1.00 10.44 C ATOM 0 H LEU A 51 7.730 -16.939 2.205 1.00 41.30 H new ATOM 0 HA LEU A 51 4.774 -17.012 2.403 1.00 40.01 H new ATOM 0 HB2 LEU A 51 6.591 -18.679 0.982 1.00 4.43 H new ATOM 0 HB3 LEU A 51 6.056 -19.607 2.369 1.00 4.43 H new ATOM 0 HG LEU A 51 3.867 -18.262 0.929 1.00 20.42 H new ATOM 0 HD11 LEU A 51 3.888 -19.836 -0.966 1.00 23.33 H new ATOM 0 HD12 LEU A 51 5.308 -18.764 -0.982 1.00 23.33 H new ATOM 0 HD13 LEU A 51 5.472 -20.448 -0.433 1.00 23.33 H new ATOM 0 HD21 LEU A 51 2.843 -20.492 1.171 1.00 10.44 H new ATOM 0 HD22 LEU A 51 4.386 -21.128 1.786 1.00 10.44 H new ATOM 0 HD23 LEU A 51 3.499 -19.896 2.714 1.00 10.44 H new ATOM 768 N LEU A 52 4.849 -18.438 4.600 1.00 31.31 N ATOM 769 CA LEU A 52 4.864 -18.819 6.008 1.00 1.44 C ATOM 770 C LEU A 52 4.153 -20.151 6.220 1.00 23.52 C ATOM 771 O LEU A 52 3.021 -20.193 6.701 1.00 52.11 O ATOM 772 CB LEU A 52 4.200 -17.733 6.857 1.00 21.04 C ATOM 773 CG LEU A 52 5.101 -16.577 7.293 1.00 40.21 C ATOM 774 CD1 LEU A 52 5.362 -15.635 6.127 1.00 21.34 C ATOM 775 CD2 LEU A 52 4.477 -15.825 8.459 1.00 11.52 C ATOM 0 H LEU A 52 3.986 -18.671 4.110 1.00 31.31 H new ATOM 0 HA LEU A 52 5.903 -18.930 6.318 1.00 1.44 H new ATOM 0 HB2 LEU A 52 3.362 -17.322 6.294 1.00 21.04 H new ATOM 0 HB3 LEU A 52 3.785 -18.201 7.750 1.00 21.04 H new ATOM 0 HG LEU A 52 6.055 -16.989 7.622 1.00 40.21 H new ATOM 0 HD11 LEU A 52 6.005 -14.818 6.456 1.00 21.34 H new ATOM 0 HD12 LEU A 52 5.852 -16.181 5.321 1.00 21.34 H new ATOM 0 HD13 LEU A 52 4.416 -15.230 5.768 1.00 21.34 H new ATOM 0 HD21 LEU A 52 5.132 -15.006 8.756 1.00 11.52 H new ATOM 0 HD22 LEU A 52 3.509 -15.425 8.158 1.00 11.52 H new ATOM 0 HD23 LEU A 52 4.342 -16.505 9.300 1.00 11.52 H new ATOM 787 N SER A 53 4.827 -21.239 5.860 1.00 72.31 N ATOM 788 CA SER A 53 4.259 -22.574 6.009 1.00 61.21 C ATOM 789 C SER A 53 4.126 -22.946 7.482 1.00 20.55 C ATOM 790 O SER A 53 5.038 -22.716 8.277 1.00 33.11 O ATOM 791 CB SER A 53 5.129 -23.605 5.287 1.00 4.14 C ATOM 792 OG SER A 53 6.452 -23.600 5.795 1.00 24.42 O ATOM 0 H SER A 53 5.767 -21.222 5.463 1.00 72.31 H new ATOM 0 HA SER A 53 3.265 -22.571 5.562 1.00 61.21 H new ATOM 0 HB2 SER A 53 4.695 -24.598 5.404 1.00 4.14 H new ATOM 0 HB3 SER A 53 5.145 -23.388 4.219 1.00 4.14 H new ATOM 0 HG SER A 53 6.952 -22.856 5.399 1.00 24.42 H new ATOM 798 N ASP A 54 2.984 -23.523 7.839 1.00 32.24 N ATOM 799 CA ASP A 54 2.730 -23.929 9.217 1.00 70.21 C ATOM 800 C ASP A 54 3.211 -25.356 9.460 1.00 31.32 C ATOM 801 O ASP A 54 3.530 -25.730 10.589 1.00 32.04 O ATOM 802 CB ASP A 54 1.238 -23.819 9.537 1.00 44.20 C ATOM 803 CG ASP A 54 0.911 -24.291 10.940 1.00 71.32 C ATOM 804 OD1 ASP A 54 1.801 -24.219 11.814 1.00 55.05 O ATOM 805 OD2 ASP A 54 -0.235 -24.733 11.164 1.00 14.52 O ATOM 0 H ASP A 54 2.219 -23.720 7.194 1.00 32.24 H new ATOM 0 HA ASP A 54 3.285 -23.260 9.875 1.00 70.21 H new ATOM 0 HB2 ASP A 54 0.920 -22.783 9.422 1.00 44.20 H new ATOM 0 HB3 ASP A 54 0.670 -24.408 8.817 1.00 44.20 H new ATOM 810 N ILE A 55 3.259 -26.149 8.395 1.00 42.43 N ATOM 811 CA ILE A 55 3.701 -27.534 8.493 1.00 20.21 C ATOM 812 C ILE A 55 3.061 -28.232 9.689 1.00 40.44 C ATOM 813 O ILE A 55 3.752 -28.661 10.613 1.00 50.03 O ATOM 814 CB ILE A 55 5.233 -27.629 8.617 1.00 22.05 C ATOM 815 CG1 ILE A 55 5.908 -26.782 7.537 1.00 51.23 C ATOM 816 CG2 ILE A 55 5.684 -29.079 8.520 1.00 53.13 C ATOM 817 CD1 ILE A 55 7.415 -26.740 7.655 1.00 3.22 C ATOM 0 H ILE A 55 2.997 -25.856 7.454 1.00 42.43 H new ATOM 0 HA ILE A 55 3.388 -28.031 7.575 1.00 20.21 H new ATOM 0 HB ILE A 55 5.528 -27.242 9.592 1.00 22.05 H new ATOM 0 HG12 ILE A 55 5.639 -27.176 6.557 1.00 51.23 H new ATOM 0 HG13 ILE A 55 5.519 -25.765 7.589 1.00 51.23 H new ATOM 0 HG21 ILE A 55 6.769 -29.129 8.609 1.00 53.13 H new ATOM 0 HG22 ILE A 55 5.227 -29.657 9.323 1.00 53.13 H new ATOM 0 HG23 ILE A 55 5.380 -29.491 7.558 1.00 53.13 H new ATOM 0 HD11 ILE A 55 7.825 -26.122 6.857 1.00 3.22 H new ATOM 0 HD12 ILE A 55 7.693 -26.317 8.621 1.00 3.22 H new ATOM 0 HD13 ILE A 55 7.815 -27.751 7.573 1.00 3.22 H new ATOM 920 N GLY A 62 5.739 -30.682 4.765 1.00 70.42 N ATOM 921 CA GLY A 62 5.883 -29.247 4.922 1.00 3.02 C ATOM 922 C GLY A 62 7.035 -28.688 4.111 1.00 4.22 C ATOM 923 O GLY A 62 6.855 -27.762 3.319 1.00 60.23 O ATOM 0 HA2 GLY A 62 4.958 -28.757 4.619 1.00 3.02 H new ATOM 0 HA3 GLY A 62 6.037 -29.013 5.975 1.00 3.02 H new ATOM 927 N LEU A 63 8.223 -29.248 4.309 1.00 22.45 N ATOM 928 CA LEU A 63 9.411 -28.799 3.591 1.00 12.03 C ATOM 929 C LEU A 63 9.478 -29.428 2.203 1.00 3.23 C ATOM 930 O LEU A 63 10.227 -28.971 1.340 1.00 52.02 O ATOM 931 CB LEU A 63 10.672 -29.147 4.383 1.00 22.44 C ATOM 932 CG LEU A 63 10.646 -30.479 5.135 1.00 4.31 C ATOM 933 CD1 LEU A 63 10.325 -31.622 4.185 1.00 21.01 C ATOM 934 CD2 LEU A 63 11.976 -30.722 5.835 1.00 53.01 C ATOM 0 H LEU A 63 8.390 -30.014 4.961 1.00 22.45 H new ATOM 0 HA LEU A 63 9.349 -27.717 3.477 1.00 12.03 H new ATOM 0 HB2 LEU A 63 11.518 -29.157 3.695 1.00 22.44 H new ATOM 0 HB3 LEU A 63 10.856 -28.350 5.103 1.00 22.44 H new ATOM 0 HG LEU A 63 9.863 -30.432 5.892 1.00 4.31 H new ATOM 0 HD11 LEU A 63 10.311 -32.561 4.738 1.00 21.01 H new ATOM 0 HD12 LEU A 63 9.349 -31.454 3.730 1.00 21.01 H new ATOM 0 HD13 LEU A 63 11.085 -31.671 3.405 1.00 21.01 H new ATOM 0 HD21 LEU A 63 11.940 -31.674 6.365 1.00 53.01 H new ATOM 0 HD22 LEU A 63 12.777 -30.748 5.096 1.00 53.01 H new ATOM 0 HD23 LEU A 63 12.165 -29.918 6.546 1.00 53.01 H new ATOM 946 N ALA A 64 8.690 -30.477 1.996 1.00 74.13 N ATOM 947 CA ALA A 64 8.657 -31.166 0.711 1.00 14.34 C ATOM 948 C ALA A 64 8.588 -30.172 -0.443 1.00 13.31 C ATOM 949 O ALA A 64 9.368 -30.252 -1.392 1.00 63.14 O ATOM 950 CB ALA A 64 7.476 -32.124 0.657 1.00 50.15 C ATOM 0 H ALA A 64 8.066 -30.869 2.701 1.00 74.13 H new ATOM 0 HA ALA A 64 9.580 -31.737 0.609 1.00 14.34 H new ATOM 0 HB1 ALA A 64 7.463 -32.632 -0.307 1.00 50.15 H new ATOM 0 HB2 ALA A 64 7.569 -32.862 1.454 1.00 50.15 H new ATOM 0 HB3 ALA A 64 6.549 -31.566 0.786 1.00 50.15 H new ATOM 956 N LEU A 65 7.649 -29.236 -0.356 1.00 43.41 N ATOM 957 CA LEU A 65 7.478 -28.225 -1.394 1.00 71.34 C ATOM 958 C LEU A 65 8.437 -27.058 -1.182 1.00 61.44 C ATOM 959 O LEU A 65 8.765 -26.331 -2.121 1.00 74.53 O ATOM 960 CB LEU A 65 6.035 -27.718 -1.407 1.00 72.30 C ATOM 961 CG LEU A 65 5.775 -26.414 -0.652 1.00 70.13 C ATOM 962 CD1 LEU A 65 4.364 -25.914 -0.921 1.00 42.20 C ATOM 963 CD2 LEU A 65 5.999 -26.608 0.840 1.00 33.04 C ATOM 0 H LEU A 65 6.995 -29.156 0.422 1.00 43.41 H new ATOM 0 HA LEU A 65 7.704 -28.686 -2.356 1.00 71.34 H new ATOM 0 HB2 LEU A 65 5.728 -27.581 -2.444 1.00 72.30 H new ATOM 0 HB3 LEU A 65 5.395 -28.493 -0.985 1.00 72.30 H new ATOM 0 HG LEU A 65 6.479 -25.663 -1.010 1.00 70.13 H new ATOM 0 HD11 LEU A 65 4.197 -24.985 -0.376 1.00 42.20 H new ATOM 0 HD12 LEU A 65 4.239 -25.735 -1.989 1.00 42.20 H new ATOM 0 HD13 LEU A 65 3.644 -26.663 -0.592 1.00 42.20 H new ATOM 0 HD21 LEU A 65 5.809 -25.670 1.361 1.00 33.04 H new ATOM 0 HD22 LEU A 65 5.320 -27.374 1.213 1.00 33.04 H new ATOM 0 HD23 LEU A 65 7.029 -26.919 1.016 1.00 33.04 H new ATOM 975 N LEU A 66 8.886 -26.886 0.056 1.00 51.11 N ATOM 976 CA LEU A 66 9.810 -25.808 0.392 1.00 63.44 C ATOM 977 C LEU A 66 11.188 -26.065 -0.211 1.00 31.55 C ATOM 978 O LEU A 66 11.967 -25.137 -0.426 1.00 11.43 O ATOM 979 CB LEU A 66 9.924 -25.662 1.910 1.00 50.10 C ATOM 980 CG LEU A 66 9.988 -24.230 2.443 1.00 30.22 C ATOM 981 CD1 LEU A 66 10.863 -23.366 1.549 1.00 61.03 C ATOM 982 CD2 LEU A 66 8.590 -23.640 2.555 1.00 11.15 C ATOM 0 H LEU A 66 8.625 -27.479 0.844 1.00 51.11 H new ATOM 0 HA LEU A 66 9.417 -24.882 -0.027 1.00 63.44 H new ATOM 0 HB2 LEU A 66 9.070 -26.161 2.368 1.00 50.10 H new ATOM 0 HB3 LEU A 66 10.818 -26.192 2.240 1.00 50.10 H new ATOM 0 HG LEU A 66 10.432 -24.253 3.438 1.00 30.22 H new ATOM 0 HD11 LEU A 66 10.896 -22.351 1.944 1.00 61.03 H new ATOM 0 HD12 LEU A 66 11.872 -23.778 1.520 1.00 61.03 H new ATOM 0 HD13 LEU A 66 10.449 -23.349 0.541 1.00 61.03 H new ATOM 0 HD21 LEU A 66 8.655 -22.621 2.936 1.00 11.15 H new ATOM 0 HD22 LEU A 66 8.119 -23.631 1.572 1.00 11.15 H new ATOM 0 HD23 LEU A 66 7.993 -24.245 3.238 1.00 11.15 H new ATOM 994 N LYS A 67 11.482 -27.332 -0.483 1.00 31.44 N ATOM 995 CA LYS A 67 12.764 -27.713 -1.064 1.00 31.15 C ATOM 996 C LYS A 67 12.892 -27.188 -2.490 1.00 5.33 C ATOM 997 O LYS A 67 13.997 -26.935 -2.970 1.00 1.54 O ATOM 998 CB LYS A 67 12.920 -29.235 -1.054 1.00 33.55 C ATOM 999 CG LYS A 67 13.158 -29.813 0.331 1.00 72.53 C ATOM 1000 CD LYS A 67 14.499 -29.375 0.895 1.00 61.52 C ATOM 1001 CE LYS A 67 15.653 -29.877 0.041 1.00 64.03 C ATOM 1002 NZ LYS A 67 16.683 -30.578 0.857 1.00 44.24 N ATOM 0 H LYS A 67 10.849 -28.113 -0.310 1.00 31.44 H new ATOM 0 HA LYS A 67 13.555 -27.269 -0.459 1.00 31.15 H new ATOM 0 HB2 LYS A 67 12.023 -29.687 -1.478 1.00 33.55 H new ATOM 0 HB3 LYS A 67 13.752 -29.511 -1.702 1.00 33.55 H new ATOM 0 HG2 LYS A 67 12.359 -29.495 1.001 1.00 72.53 H new ATOM 0 HG3 LYS A 67 13.120 -30.901 0.284 1.00 72.53 H new ATOM 0 HD2 LYS A 67 14.533 -28.287 0.952 1.00 61.52 H new ATOM 0 HD3 LYS A 67 14.607 -29.751 1.912 1.00 61.52 H new ATOM 0 HE2 LYS A 67 15.272 -30.555 -0.723 1.00 64.03 H new ATOM 0 HE3 LYS A 67 16.112 -29.036 -0.479 1.00 64.03 H new ATOM 0 HZ1 LYS A 67 17.453 -30.905 0.238 1.00 44.24 H new ATOM 0 HZ2 LYS A 67 17.066 -29.924 1.570 1.00 44.24 H new ATOM 0 HZ3 LYS A 67 16.251 -31.395 1.334 1.00 44.24 H new ATOM 1016 N GLN A 68 11.757 -27.025 -3.160 1.00 75.33 N ATOM 1017 CA GLN A 68 11.744 -26.529 -4.531 1.00 53.03 C ATOM 1018 C GLN A 68 11.732 -25.004 -4.558 1.00 73.12 C ATOM 1019 O GLN A 68 12.142 -24.388 -5.542 1.00 60.02 O ATOM 1020 CB GLN A 68 10.527 -27.074 -5.282 1.00 2.31 C ATOM 1021 CG GLN A 68 9.269 -26.244 -5.084 1.00 73.21 C ATOM 1022 CD GLN A 68 8.019 -27.096 -4.982 1.00 54.33 C ATOM 1023 OE1 GLN A 68 6.987 -26.558 -4.342 1.00 24.15 O flip ATOM 1024 NE2 GLN A 68 7.980 -28.224 -5.474 1.00 73.50 N flip ATOM 0 H GLN A 68 10.834 -27.229 -2.776 1.00 75.33 H new ATOM 0 HA GLN A 68 12.652 -26.876 -5.025 1.00 53.03 H new ATOM 0 HB2 GLN A 68 10.758 -27.121 -6.346 1.00 2.31 H new ATOM 0 HB3 GLN A 68 10.334 -28.095 -4.953 1.00 2.31 H new ATOM 0 HG2 GLN A 68 9.371 -25.646 -4.179 1.00 73.21 H new ATOM 0 HG3 GLN A 68 9.163 -25.548 -5.916 1.00 73.21 H new ATOM 0 HE21 GLN A 68 8.797 -28.598 -5.957 1.00 73.50 H new ATOM 0 HE22 GLN A 68 7.131 -28.784 -5.398 1.00 73.50 H new ATOM 1033 N ILE A 69 11.259 -24.402 -3.472 1.00 54.04 N ATOM 1034 CA ILE A 69 11.194 -22.949 -3.372 1.00 22.30 C ATOM 1035 C ILE A 69 12.587 -22.332 -3.431 1.00 2.21 C ATOM 1036 O ILE A 69 12.748 -21.169 -3.803 1.00 22.22 O ATOM 1037 CB ILE A 69 10.503 -22.505 -2.069 1.00 73.14 C ATOM 1038 CG1 ILE A 69 9.056 -23.003 -2.039 1.00 24.43 C ATOM 1039 CG2 ILE A 69 10.550 -20.990 -1.935 1.00 31.44 C ATOM 1040 CD1 ILE A 69 8.306 -22.604 -0.787 1.00 63.22 C ATOM 0 H ILE A 69 10.915 -24.898 -2.649 1.00 54.04 H new ATOM 0 HA ILE A 69 10.608 -22.600 -4.222 1.00 22.30 H new ATOM 0 HB ILE A 69 11.036 -22.942 -1.224 1.00 73.14 H new ATOM 0 HG12 ILE A 69 8.528 -22.613 -2.909 1.00 24.43 H new ATOM 0 HG13 ILE A 69 9.052 -24.090 -2.124 1.00 24.43 H new ATOM 0 HG21 ILE A 69 10.058 -20.691 -1.009 1.00 31.44 H new ATOM 0 HG22 ILE A 69 11.588 -20.658 -1.917 1.00 31.44 H new ATOM 0 HG23 ILE A 69 10.038 -20.534 -2.782 1.00 31.44 H new ATOM 0 HD11 ILE A 69 7.288 -22.991 -0.834 1.00 63.22 H new ATOM 0 HD12 ILE A 69 8.811 -23.016 0.087 1.00 63.22 H new ATOM 0 HD13 ILE A 69 8.278 -21.517 -0.710 1.00 63.22 H new ATOM 1052 N LYS A 70 13.593 -23.118 -3.063 1.00 30.30 N ATOM 1053 CA LYS A 70 14.974 -22.652 -3.076 1.00 43.53 C ATOM 1054 C LYS A 70 15.540 -22.667 -4.493 1.00 1.02 C ATOM 1055 O LYS A 70 16.388 -21.846 -4.840 1.00 44.12 O ATOM 1056 CB LYS A 70 15.838 -23.523 -2.161 1.00 74.03 C ATOM 1057 CG LYS A 70 15.321 -23.606 -0.735 1.00 41.44 C ATOM 1058 CD LYS A 70 15.886 -22.490 0.128 1.00 54.43 C ATOM 1059 CE LYS A 70 16.750 -23.038 1.252 1.00 2.15 C ATOM 1060 NZ LYS A 70 16.004 -24.004 2.105 1.00 11.03 N ATOM 0 H LYS A 70 13.477 -24.082 -2.752 1.00 30.30 H new ATOM 0 HA LYS A 70 14.988 -21.626 -2.709 1.00 43.53 H new ATOM 0 HB2 LYS A 70 15.894 -24.529 -2.577 1.00 74.03 H new ATOM 0 HB3 LYS A 70 16.853 -23.126 -2.148 1.00 74.03 H new ATOM 0 HG2 LYS A 70 14.232 -23.550 -0.738 1.00 41.44 H new ATOM 0 HG3 LYS A 70 15.589 -24.571 -0.305 1.00 41.44 H new ATOM 0 HD2 LYS A 70 16.477 -21.814 -0.490 1.00 54.43 H new ATOM 0 HD3 LYS A 70 15.068 -21.904 0.549 1.00 54.43 H new ATOM 0 HE2 LYS A 70 17.627 -23.529 0.830 1.00 2.15 H new ATOM 0 HE3 LYS A 70 17.111 -22.214 1.867 1.00 2.15 H new ATOM 0 HZ1 LYS A 70 16.256 -23.853 3.103 1.00 11.03 H new ATOM 0 HZ2 LYS A 70 14.982 -23.860 1.980 1.00 11.03 H new ATOM 0 HZ3 LYS A 70 16.253 -24.975 1.829 1.00 11.03 H new ATOM 1074 N GLN A 71 15.064 -23.605 -5.305 1.00 52.22 N ATOM 1075 CA GLN A 71 15.523 -23.725 -6.684 1.00 74.30 C ATOM 1076 C GLN A 71 14.713 -22.822 -7.608 1.00 40.51 C ATOM 1077 O GLN A 71 15.244 -22.264 -8.568 1.00 43.24 O ATOM 1078 CB GLN A 71 15.420 -25.178 -7.153 1.00 13.40 C ATOM 1079 CG GLN A 71 16.094 -25.434 -8.491 1.00 70.11 C ATOM 1080 CD GLN A 71 16.901 -26.717 -8.501 1.00 61.34 C ATOM 1081 OE1 GLN A 71 18.127 -26.692 -8.612 1.00 23.23 O ATOM 1082 NE2 GLN A 71 16.216 -27.849 -8.386 1.00 11.11 N ATOM 0 H GLN A 71 14.361 -24.292 -5.032 1.00 52.22 H new ATOM 0 HA GLN A 71 16.566 -23.411 -6.722 1.00 74.30 H new ATOM 0 HB2 GLN A 71 15.867 -25.827 -6.400 1.00 13.40 H new ATOM 0 HB3 GLN A 71 14.368 -25.454 -7.227 1.00 13.40 H new ATOM 0 HG2 GLN A 71 15.336 -25.480 -9.273 1.00 70.11 H new ATOM 0 HG3 GLN A 71 16.748 -24.596 -8.730 1.00 70.11 H new ATOM 0 HE21 GLN A 71 15.200 -27.824 -8.296 1.00 11.11 H new ATOM 0 HE22 GLN A 71 16.706 -28.744 -8.387 1.00 11.11 H new ATOM 1091 N ARG A 72 13.425 -22.682 -7.312 1.00 1.14 N ATOM 1092 CA ARG A 72 12.542 -21.847 -8.117 1.00 32.11 C ATOM 1093 C ARG A 72 12.608 -20.391 -7.665 1.00 25.20 C ATOM 1094 O ARG A 72 12.457 -19.472 -8.471 1.00 34.42 O ATOM 1095 CB ARG A 72 11.102 -22.355 -8.026 1.00 32.12 C ATOM 1096 CG ARG A 72 10.760 -23.408 -9.067 1.00 64.32 C ATOM 1097 CD ARG A 72 9.282 -23.382 -9.422 1.00 32.43 C ATOM 1098 NE ARG A 72 9.057 -22.960 -10.801 1.00 40.53 N ATOM 1099 CZ ARG A 72 9.278 -23.739 -11.854 1.00 53.11 C ATOM 1100 NH1 ARG A 72 9.726 -24.975 -11.686 1.00 22.15 N ATOM 1101 NH2 ARG A 72 9.049 -23.282 -13.079 1.00 21.22 N ATOM 0 H ARG A 72 12.970 -23.136 -6.520 1.00 1.14 H new ATOM 0 HA ARG A 72 12.876 -21.903 -9.153 1.00 32.11 H new ATOM 0 HB2 ARG A 72 10.935 -22.771 -7.032 1.00 32.12 H new ATOM 0 HB3 ARG A 72 10.421 -21.512 -8.137 1.00 32.12 H new ATOM 0 HG2 ARG A 72 11.354 -23.239 -9.965 1.00 64.32 H new ATOM 0 HG3 ARG A 72 11.027 -24.395 -8.689 1.00 64.32 H new ATOM 0 HD2 ARG A 72 8.856 -24.374 -9.273 1.00 32.43 H new ATOM 0 HD3 ARG A 72 8.759 -22.705 -8.746 1.00 32.43 H new ATOM 0 HE ARG A 72 8.711 -22.015 -10.965 1.00 40.53 H new ATOM 0 HH11 ARG A 72 9.902 -25.330 -10.746 1.00 22.15 H new ATOM 0 HH12 ARG A 72 9.895 -25.571 -12.496 1.00 22.15 H new ATOM 0 HH21 ARG A 72 8.703 -22.332 -13.212 1.00 21.22 H new ATOM 0 HH22 ARG A 72 9.219 -23.881 -13.887 1.00 21.22 H new ATOM 1115 N HIS A 73 12.836 -20.188 -6.371 1.00 61.31 N ATOM 1116 CA HIS A 73 12.923 -18.844 -5.812 1.00 31.13 C ATOM 1117 C HIS A 73 13.959 -18.787 -4.693 1.00 41.13 C ATOM 1118 O HIS A 73 13.627 -18.735 -3.509 1.00 24.22 O ATOM 1119 CB HIS A 73 11.559 -18.400 -5.282 1.00 71.13 C ATOM 1120 CG HIS A 73 10.412 -18.833 -6.143 1.00 44.14 C ATOM 1121 ND1 HIS A 73 9.976 -18.111 -7.234 1.00 50.01 N ATOM 1122 CD2 HIS A 73 9.612 -19.922 -6.070 1.00 41.02 C ATOM 1123 CE1 HIS A 73 8.956 -18.736 -7.794 1.00 33.44 C ATOM 1124 NE2 HIS A 73 8.715 -19.839 -7.107 1.00 1.54 N ATOM 0 H HIS A 73 12.964 -20.937 -5.690 1.00 61.31 H new ATOM 0 HA HIS A 73 13.234 -18.166 -6.607 1.00 31.13 H new ATOM 0 HB2 HIS A 73 11.420 -18.801 -4.278 1.00 71.13 H new ATOM 0 HB3 HIS A 73 11.548 -17.313 -5.196 1.00 71.13 H new ATOM 0 HD2 HIS A 73 9.668 -20.710 -5.333 1.00 41.02 H new ATOM 0 HE1 HIS A 73 8.412 -18.402 -8.665 1.00 33.44 H new ATOM 0 HE2 HIS A 73 7.982 -20.518 -7.313 1.00 1.54 H new ATOM 1132 N PRO A 74 15.245 -18.797 -5.076 1.00 33.12 N ATOM 1133 CA PRO A 74 16.355 -18.747 -4.120 1.00 63.23 C ATOM 1134 C PRO A 74 16.469 -17.391 -3.433 1.00 55.55 C ATOM 1135 O PRO A 74 16.678 -17.313 -2.223 1.00 44.24 O ATOM 1136 CB PRO A 74 17.586 -19.009 -4.992 1.00 74.45 C ATOM 1137 CG PRO A 74 17.184 -18.567 -6.357 1.00 51.40 C ATOM 1138 CD PRO A 74 15.713 -18.858 -6.471 1.00 0.54 C ATOM 0 HA PRO A 74 16.227 -19.466 -3.310 1.00 63.23 H new ATOM 0 HB2 PRO A 74 18.451 -18.451 -4.634 1.00 74.45 H new ATOM 0 HB3 PRO A 74 17.861 -20.064 -4.982 1.00 74.45 H new ATOM 0 HG2 PRO A 74 17.384 -17.505 -6.498 1.00 51.40 H new ATOM 0 HG3 PRO A 74 17.748 -19.101 -7.122 1.00 51.40 H new ATOM 0 HD2 PRO A 74 15.206 -18.125 -7.098 1.00 0.54 H new ATOM 0 HD3 PRO A 74 15.530 -19.837 -6.914 1.00 0.54 H new ATOM 1146 N MET A 75 16.328 -16.324 -4.214 1.00 12.24 N ATOM 1147 CA MET A 75 16.413 -14.970 -3.679 1.00 12.22 C ATOM 1148 C MET A 75 15.131 -14.595 -2.941 1.00 63.21 C ATOM 1149 O MET A 75 15.033 -13.516 -2.356 1.00 12.22 O ATOM 1150 CB MET A 75 16.678 -13.969 -4.805 1.00 73.24 C ATOM 1151 CG MET A 75 15.411 -13.379 -5.404 1.00 44.11 C ATOM 1152 SD MET A 75 14.322 -14.635 -6.102 1.00 0.11 S ATOM 1153 CE MET A 75 12.716 -13.937 -5.726 1.00 51.32 C ATOM 0 H MET A 75 16.155 -16.371 -5.218 1.00 12.24 H new ATOM 0 HA MET A 75 17.241 -14.938 -2.971 1.00 12.22 H new ATOM 0 HB2 MET A 75 17.300 -13.160 -4.422 1.00 73.24 H new ATOM 0 HB3 MET A 75 17.247 -14.463 -5.593 1.00 73.24 H new ATOM 0 HG2 MET A 75 14.874 -12.825 -4.634 1.00 44.11 H new ATOM 0 HG3 MET A 75 15.680 -12.664 -6.182 1.00 44.11 H new ATOM 0 HE1 MET A 75 11.938 -14.656 -5.983 1.00 51.32 H new ATOM 0 HE2 MET A 75 12.660 -13.706 -4.662 1.00 51.32 H new ATOM 0 HE3 MET A 75 12.572 -13.024 -6.304 1.00 51.32 H new ATOM 1163 N LEU A 76 14.152 -15.492 -2.973 1.00 71.02 N ATOM 1164 CA LEU A 76 12.876 -15.255 -2.307 1.00 74.34 C ATOM 1165 C LEU A 76 12.927 -15.712 -0.853 1.00 61.00 C ATOM 1166 O LEU A 76 13.037 -16.901 -0.554 1.00 23.24 O ATOM 1167 CB LEU A 76 11.751 -15.985 -3.044 1.00 31.34 C ATOM 1168 CG LEU A 76 10.375 -15.945 -2.377 1.00 25.23 C ATOM 1169 CD1 LEU A 76 9.756 -14.563 -2.514 1.00 74.22 C ATOM 1170 CD2 LEU A 76 9.461 -17.004 -2.976 1.00 2.22 C ATOM 0 H LEU A 76 14.217 -16.390 -3.453 1.00 71.02 H new ATOM 0 HA LEU A 76 12.679 -14.183 -2.324 1.00 74.34 H new ATOM 0 HB2 LEU A 76 11.661 -15.558 -4.043 1.00 31.34 H new ATOM 0 HB3 LEU A 76 12.042 -17.028 -3.168 1.00 31.34 H new ATOM 0 HG LEU A 76 10.500 -16.161 -1.316 1.00 25.23 H new ATOM 0 HD11 LEU A 76 8.778 -14.553 -2.034 1.00 74.22 H new ATOM 0 HD12 LEU A 76 10.402 -13.826 -2.037 1.00 74.22 H new ATOM 0 HD13 LEU A 76 9.644 -14.317 -3.570 1.00 74.22 H new ATOM 0 HD21 LEU A 76 8.487 -16.961 -2.489 1.00 2.22 H new ATOM 0 HD22 LEU A 76 9.342 -16.820 -4.044 1.00 2.22 H new ATOM 0 HD23 LEU A 76 9.899 -17.991 -2.824 1.00 2.22 H new ATOM 1182 N PRO A 77 12.844 -14.746 0.074 1.00 34.31 N ATOM 1183 CA PRO A 77 12.876 -15.025 1.513 1.00 73.32 C ATOM 1184 C PRO A 77 11.614 -15.732 1.995 1.00 74.55 C ATOM 1185 O PRO A 77 10.508 -15.204 1.872 1.00 64.14 O ATOM 1186 CB PRO A 77 12.982 -13.634 2.142 1.00 41.33 C ATOM 1187 CG PRO A 77 12.385 -12.715 1.132 1.00 32.22 C ATOM 1188 CD PRO A 77 12.711 -13.308 -0.211 1.00 12.31 C ATOM 0 HA PRO A 77 13.695 -15.692 1.780 1.00 73.32 H new ATOM 0 HB2 PRO A 77 12.444 -13.585 3.089 1.00 41.33 H new ATOM 0 HB3 PRO A 77 14.019 -13.372 2.351 1.00 41.33 H new ATOM 0 HG2 PRO A 77 11.307 -12.631 1.270 1.00 32.22 H new ATOM 0 HG3 PRO A 77 12.798 -11.711 1.226 1.00 32.22 H new ATOM 0 HD2 PRO A 77 11.922 -13.114 -0.938 1.00 12.31 H new ATOM 0 HD3 PRO A 77 13.632 -12.893 -0.621 1.00 12.31 H new ATOM 1196 N VAL A 78 11.785 -16.931 2.544 1.00 41.30 N ATOM 1197 CA VAL A 78 10.660 -17.710 3.046 1.00 54.21 C ATOM 1198 C VAL A 78 10.817 -18.008 4.533 1.00 63.34 C ATOM 1199 O VAL A 78 11.925 -17.973 5.069 1.00 62.02 O ATOM 1200 CB VAL A 78 10.510 -19.038 2.280 1.00 42.30 C ATOM 1201 CG1 VAL A 78 9.223 -19.743 2.679 1.00 11.24 C ATOM 1202 CG2 VAL A 78 10.551 -18.794 0.779 1.00 54.01 C ATOM 0 H VAL A 78 12.693 -17.384 2.652 1.00 41.30 H new ATOM 0 HA VAL A 78 9.765 -17.108 2.892 1.00 54.21 H new ATOM 0 HB VAL A 78 11.346 -19.686 2.543 1.00 42.30 H new ATOM 0 HG11 VAL A 78 9.135 -20.679 2.127 1.00 11.24 H new ATOM 0 HG12 VAL A 78 9.239 -19.952 3.749 1.00 11.24 H new ATOM 0 HG13 VAL A 78 8.371 -19.104 2.447 1.00 11.24 H new ATOM 0 HG21 VAL A 78 10.444 -19.743 0.253 1.00 54.01 H new ATOM 0 HG22 VAL A 78 9.736 -18.128 0.496 1.00 54.01 H new ATOM 0 HG23 VAL A 78 11.503 -18.336 0.511 1.00 54.01 H new ATOM 1212 N ILE A 79 9.702 -18.302 5.193 1.00 64.42 N ATOM 1213 CA ILE A 79 9.717 -18.609 6.618 1.00 43.32 C ATOM 1214 C ILE A 79 9.075 -19.964 6.895 1.00 1.35 C ATOM 1215 O ILE A 79 8.024 -20.289 6.342 1.00 1.32 O ATOM 1216 CB ILE A 79 8.983 -17.528 7.434 1.00 71.44 C ATOM 1217 CG1 ILE A 79 9.390 -16.133 6.956 1.00 51.02 C ATOM 1218 CG2 ILE A 79 9.278 -17.693 8.917 1.00 32.10 C ATOM 1219 CD1 ILE A 79 8.641 -15.015 7.647 1.00 30.32 C ATOM 0 H ILE A 79 8.777 -18.334 4.764 1.00 64.42 H new ATOM 0 HA ILE A 79 10.763 -18.636 6.925 1.00 43.32 H new ATOM 0 HB ILE A 79 7.910 -17.645 7.282 1.00 71.44 H new ATOM 0 HG12 ILE A 79 10.459 -15.999 7.120 1.00 51.02 H new ATOM 0 HG13 ILE A 79 9.221 -16.062 5.881 1.00 51.02 H new ATOM 0 HG21 ILE A 79 8.752 -16.922 9.480 1.00 32.10 H new ATOM 0 HG22 ILE A 79 8.943 -18.676 9.247 1.00 32.10 H new ATOM 0 HG23 ILE A 79 10.351 -17.599 9.087 1.00 32.10 H new ATOM 0 HD11 ILE A 79 8.981 -14.055 7.258 1.00 30.32 H new ATOM 0 HD12 ILE A 79 7.572 -15.124 7.461 1.00 30.32 H new ATOM 0 HD13 ILE A 79 8.829 -15.059 8.720 1.00 30.32 H new ATOM 1231 N ILE A 80 9.713 -20.749 7.757 1.00 71.02 N ATOM 1232 CA ILE A 80 9.202 -22.068 8.110 1.00 1.33 C ATOM 1233 C ILE A 80 8.593 -22.065 9.508 1.00 12.42 C ATOM 1234 O ILE A 80 9.304 -22.170 10.507 1.00 65.34 O ATOM 1235 CB ILE A 80 10.310 -23.136 8.048 1.00 51.22 C ATOM 1236 CG1 ILE A 80 10.609 -23.507 6.594 1.00 41.01 C ATOM 1237 CG2 ILE A 80 9.903 -24.368 8.842 1.00 72.13 C ATOM 1238 CD1 ILE A 80 9.589 -24.445 5.988 1.00 63.34 C ATOM 0 H ILE A 80 10.584 -20.495 8.223 1.00 71.02 H new ATOM 0 HA ILE A 80 8.431 -22.313 7.380 1.00 1.33 H new ATOM 0 HB ILE A 80 11.216 -22.725 8.492 1.00 51.22 H new ATOM 0 HG12 ILE A 80 10.653 -22.596 5.997 1.00 41.01 H new ATOM 0 HG13 ILE A 80 11.594 -23.971 6.541 1.00 41.01 H new ATOM 0 HG21 ILE A 80 10.696 -25.114 8.789 1.00 72.13 H new ATOM 0 HG22 ILE A 80 9.735 -24.091 9.883 1.00 72.13 H new ATOM 0 HG23 ILE A 80 8.986 -24.783 8.424 1.00 72.13 H new ATOM 0 HD11 ILE A 80 9.864 -24.665 4.957 1.00 63.34 H new ATOM 0 HD12 ILE A 80 9.561 -25.372 6.561 1.00 63.34 H new ATOM 0 HD13 ILE A 80 8.605 -23.976 6.009 1.00 63.34 H new ATOM 1250 N MET A 81 7.271 -21.944 9.571 1.00 32.42 N ATOM 1251 CA MET A 81 6.565 -21.931 10.847 1.00 10.12 C ATOM 1252 C MET A 81 6.122 -23.337 11.238 1.00 34.12 C ATOM 1253 O MET A 81 5.401 -24.002 10.493 1.00 22.21 O ATOM 1254 CB MET A 81 5.351 -21.003 10.773 1.00 11.11 C ATOM 1255 CG MET A 81 4.234 -21.385 11.731 1.00 24.12 C ATOM 1256 SD MET A 81 2.779 -20.335 11.556 1.00 21.03 S ATOM 1257 CE MET A 81 2.400 -20.568 9.821 1.00 5.51 C ATOM 0 H MET A 81 6.667 -21.854 8.754 1.00 32.42 H new ATOM 0 HA MET A 81 7.251 -21.561 11.609 1.00 10.12 H new ATOM 0 HB2 MET A 81 5.670 -19.983 10.988 1.00 11.11 H new ATOM 0 HB3 MET A 81 4.962 -21.007 9.755 1.00 11.11 H new ATOM 0 HG2 MET A 81 3.951 -22.423 11.557 1.00 24.12 H new ATOM 0 HG3 MET A 81 4.602 -21.322 12.755 1.00 24.12 H new ATOM 0 HE1 MET A 81 2.682 -19.675 9.264 1.00 5.51 H new ATOM 0 HE2 MET A 81 2.956 -21.424 9.439 1.00 5.51 H new ATOM 0 HE3 MET A 81 1.331 -20.747 9.703 1.00 5.51 H new ATOM 1267 N THR A 82 6.557 -23.785 12.412 1.00 73.22 N ATOM 1268 CA THR A 82 6.206 -25.113 12.901 1.00 50.42 C ATOM 1269 C THR A 82 6.641 -25.298 14.350 1.00 44.41 C ATOM 1270 O THR A 82 5.958 -25.955 15.134 1.00 21.21 O ATOM 1271 CB THR A 82 6.848 -26.216 12.039 1.00 74.40 C ATOM 1272 OG1 THR A 82 6.363 -27.501 12.447 1.00 10.52 O ATOM 1273 CG2 THR A 82 8.364 -26.181 12.155 1.00 50.31 C ATOM 0 H THR A 82 7.153 -23.248 13.042 1.00 73.22 H new ATOM 0 HA THR A 82 5.121 -25.197 12.837 1.00 50.42 H new ATOM 0 HB THR A 82 6.575 -26.038 10.999 1.00 74.40 H new ATOM 0 HG1 THR A 82 6.505 -28.149 11.725 1.00 10.52 H new ATOM 0 HG21 THR A 82 8.794 -26.969 11.537 1.00 50.31 H new ATOM 0 HG22 THR A 82 8.733 -25.213 11.816 1.00 50.31 H new ATOM 0 HG23 THR A 82 8.653 -26.336 13.194 1.00 50.31 H new ATOM 1281 N ALA A 83 7.783 -24.713 14.699 1.00 14.22 N ATOM 1282 CA ALA A 83 8.308 -24.811 16.055 1.00 35.34 C ATOM 1283 C ALA A 83 8.477 -26.268 16.474 1.00 2.31 C ATOM 1284 O ALA A 83 8.331 -27.179 15.659 1.00 20.53 O ATOM 1285 CB ALA A 83 7.393 -24.083 17.029 1.00 30.24 C ATOM 0 H ALA A 83 8.362 -24.167 14.061 1.00 14.22 H new ATOM 0 HA ALA A 83 9.290 -24.338 16.073 1.00 35.34 H new ATOM 0 HB1 ALA A 83 7.797 -24.164 18.038 1.00 30.24 H new ATOM 0 HB2 ALA A 83 7.326 -23.032 16.749 1.00 30.24 H new ATOM 0 HB3 ALA A 83 6.400 -24.531 16.999 1.00 30.24 H new ATOM 1291 N HIS A 84 8.787 -26.480 17.749 1.00 3.12 N ATOM 1292 CA HIS A 84 8.977 -27.827 18.276 1.00 41.21 C ATOM 1293 C HIS A 84 10.111 -28.541 17.546 1.00 2.54 C ATOM 1294 O HIS A 84 10.935 -27.906 16.888 1.00 4.23 O ATOM 1295 CB HIS A 84 7.685 -28.634 18.148 1.00 70.12 C ATOM 1296 CG HIS A 84 6.457 -27.785 18.036 1.00 15.42 C ATOM 1297 ND1 HIS A 84 6.171 -26.568 18.557 1.00 24.45 N flip ATOM 1298 CD2 HIS A 84 5.341 -28.164 17.319 1.00 31.31 C flip ATOM 1299 CE1 HIS A 84 4.902 -26.238 18.149 1.00 53.22 C flip ATOM 1300 NE2 HIS A 84 4.424 -27.218 17.403 1.00 60.32 N flip ATOM 0 H HIS A 84 8.912 -25.737 18.436 1.00 3.12 H new ATOM 0 HA HIS A 84 9.242 -27.744 19.330 1.00 41.21 H new ATOM 0 HB2 HIS A 84 7.753 -29.277 17.270 1.00 70.12 H new ATOM 0 HB3 HIS A 84 7.587 -29.287 19.015 1.00 70.12 H new ATOM 0 HD1 HIS A 84 6.784 -26.002 19.143 1.00 24.45 H new ATOM 0 HD2 HIS A 84 5.234 -29.090 16.774 1.00 31.31 H new ATOM 0 HE1 HIS A 84 4.380 -25.326 18.397 1.00 53.22 H new ATOM 1308 N SER A 85 10.147 -29.864 17.669 1.00 50.42 N ATOM 1309 CA SER A 85 11.183 -30.663 17.025 1.00 74.11 C ATOM 1310 C SER A 85 11.184 -30.437 15.516 1.00 32.30 C ATOM 1311 O SER A 85 12.209 -30.599 14.854 1.00 41.31 O ATOM 1312 CB SER A 85 10.974 -32.148 17.330 1.00 52.33 C ATOM 1313 OG SER A 85 12.078 -32.683 18.038 1.00 30.23 O ATOM 0 H SER A 85 9.471 -30.405 18.208 1.00 50.42 H new ATOM 0 HA SER A 85 12.149 -30.350 17.422 1.00 74.11 H new ATOM 0 HB2 SER A 85 10.064 -32.278 17.917 1.00 52.33 H new ATOM 0 HB3 SER A 85 10.834 -32.698 16.399 1.00 52.33 H new ATOM 0 HG SER A 85 11.919 -33.632 18.222 1.00 30.23 H new ATOM 1319 N ASP A 86 10.028 -30.063 14.980 1.00 74.15 N ATOM 1320 CA ASP A 86 9.894 -29.814 13.549 1.00 53.40 C ATOM 1321 C ASP A 86 10.966 -28.843 13.064 1.00 52.20 C ATOM 1322 O ASP A 86 11.427 -28.929 11.925 1.00 1.10 O ATOM 1323 CB ASP A 86 8.504 -29.257 13.235 1.00 62.05 C ATOM 1324 CG ASP A 86 7.393 -30.143 13.761 1.00 33.24 C ATOM 1325 OD1 ASP A 86 7.068 -30.036 14.962 1.00 21.33 O ATOM 1326 OD2 ASP A 86 6.848 -30.944 12.973 1.00 71.30 O ATOM 0 H ASP A 86 9.170 -29.925 15.514 1.00 74.15 H new ATOM 0 HA ASP A 86 10.024 -30.762 13.026 1.00 53.40 H new ATOM 0 HB2 ASP A 86 8.408 -28.262 13.670 1.00 62.05 H new ATOM 0 HB3 ASP A 86 8.396 -29.145 12.156 1.00 62.05 H new ATOM 1331 N LEU A 87 11.358 -27.919 13.935 1.00 74.15 N ATOM 1332 CA LEU A 87 12.375 -26.930 13.595 1.00 22.41 C ATOM 1333 C LEU A 87 13.763 -27.564 13.569 1.00 55.20 C ATOM 1334 O LEU A 87 14.618 -27.176 12.773 1.00 72.54 O ATOM 1335 CB LEU A 87 12.348 -25.776 14.599 1.00 72.25 C ATOM 1336 CG LEU A 87 12.093 -24.386 14.015 1.00 2.24 C ATOM 1337 CD1 LEU A 87 10.710 -24.316 13.386 1.00 4.11 C ATOM 1338 CD2 LEU A 87 12.246 -23.320 15.091 1.00 61.20 C ATOM 0 H LEU A 87 10.987 -27.834 14.881 1.00 74.15 H new ATOM 0 HA LEU A 87 12.153 -26.543 12.600 1.00 22.41 H new ATOM 0 HB2 LEU A 87 11.577 -25.984 15.341 1.00 72.25 H new ATOM 0 HB3 LEU A 87 13.301 -25.757 15.127 1.00 72.25 H new ATOM 0 HG LEU A 87 12.833 -24.198 13.237 1.00 2.24 H new ATOM 0 HD11 LEU A 87 10.547 -23.319 12.976 1.00 4.11 H new ATOM 0 HD12 LEU A 87 10.636 -25.054 12.587 1.00 4.11 H new ATOM 0 HD13 LEU A 87 9.955 -24.525 14.144 1.00 4.11 H new ATOM 0 HD21 LEU A 87 12.061 -22.337 14.658 1.00 61.20 H new ATOM 0 HD22 LEU A 87 11.529 -23.505 15.891 1.00 61.20 H new ATOM 0 HD23 LEU A 87 13.258 -23.354 15.496 1.00 61.20 H new ATOM 1350 N ASP A 88 13.978 -28.541 14.443 1.00 14.42 N ATOM 1351 CA ASP A 88 15.260 -29.231 14.518 1.00 1.35 C ATOM 1352 C ASP A 88 15.659 -29.787 13.155 1.00 12.11 C ATOM 1353 O ASP A 88 16.842 -29.972 12.871 1.00 53.20 O ATOM 1354 CB ASP A 88 15.195 -30.362 15.546 1.00 62.14 C ATOM 1355 CG ASP A 88 16.474 -30.487 16.351 1.00 74.12 C ATOM 1356 OD1 ASP A 88 17.528 -30.780 15.749 1.00 61.12 O ATOM 1357 OD2 ASP A 88 16.420 -30.291 17.583 1.00 71.23 O ATOM 0 H ASP A 88 13.281 -28.873 15.109 1.00 14.42 H new ATOM 0 HA ASP A 88 16.015 -28.510 14.830 1.00 1.35 H new ATOM 0 HB2 ASP A 88 14.359 -30.186 16.223 1.00 62.14 H new ATOM 0 HB3 ASP A 88 14.998 -31.304 15.034 1.00 62.14 H new ATOM 1362 N ALA A 89 14.663 -30.053 12.316 1.00 40.41 N ATOM 1363 CA ALA A 89 14.910 -30.587 10.982 1.00 12.14 C ATOM 1364 C ALA A 89 15.163 -29.466 9.980 1.00 2.22 C ATOM 1365 O ALA A 89 15.885 -29.648 9.000 1.00 31.12 O ATOM 1366 CB ALA A 89 13.737 -31.445 10.532 1.00 13.21 C ATOM 0 H ALA A 89 13.678 -29.907 12.536 1.00 40.41 H new ATOM 0 HA ALA A 89 15.805 -31.208 11.026 1.00 12.14 H new ATOM 0 HB1 ALA A 89 13.935 -31.837 9.534 1.00 13.21 H new ATOM 0 HB2 ALA A 89 13.604 -32.273 11.228 1.00 13.21 H new ATOM 0 HB3 ALA A 89 12.831 -30.840 10.511 1.00 13.21 H new ATOM 1372 N ALA A 90 14.564 -28.307 10.232 1.00 3.52 N ATOM 1373 CA ALA A 90 14.727 -27.156 9.352 1.00 15.24 C ATOM 1374 C ALA A 90 15.986 -26.371 9.702 1.00 42.40 C ATOM 1375 O ALA A 90 16.511 -25.621 8.878 1.00 25.44 O ATOM 1376 CB ALA A 90 13.502 -26.255 9.430 1.00 65.40 C ATOM 0 H ALA A 90 13.962 -28.140 11.038 1.00 3.52 H new ATOM 0 HA ALA A 90 14.831 -27.522 8.331 1.00 15.24 H new ATOM 0 HB1 ALA A 90 13.637 -25.399 8.768 1.00 65.40 H new ATOM 0 HB2 ALA A 90 12.618 -26.815 9.124 1.00 65.40 H new ATOM 0 HB3 ALA A 90 13.373 -25.905 10.454 1.00 65.40 H new ATOM 1382 N VAL A 91 16.466 -26.547 10.929 1.00 1.51 N ATOM 1383 CA VAL A 91 17.665 -25.855 11.388 1.00 53.44 C ATOM 1384 C VAL A 91 18.807 -26.014 10.390 1.00 14.32 C ATOM 1385 O VAL A 91 19.375 -25.029 9.920 1.00 43.44 O ATOM 1386 CB VAL A 91 18.122 -26.376 12.763 1.00 64.13 C ATOM 1387 CG1 VAL A 91 19.517 -25.865 13.091 1.00 51.32 C ATOM 1388 CG2 VAL A 91 17.130 -25.972 13.843 1.00 72.55 C ATOM 0 H VAL A 91 16.043 -27.163 11.623 1.00 1.51 H new ATOM 0 HA VAL A 91 17.408 -24.799 11.476 1.00 53.44 H new ATOM 0 HB VAL A 91 18.159 -27.465 12.725 1.00 64.13 H new ATOM 0 HG11 VAL A 91 19.823 -26.243 14.066 1.00 51.32 H new ATOM 0 HG12 VAL A 91 20.219 -26.210 12.331 1.00 51.32 H new ATOM 0 HG13 VAL A 91 19.510 -24.775 13.111 1.00 51.32 H new ATOM 0 HG21 VAL A 91 17.469 -26.349 14.808 1.00 72.55 H new ATOM 0 HG22 VAL A 91 17.058 -24.885 13.883 1.00 72.55 H new ATOM 0 HG23 VAL A 91 16.151 -26.392 13.613 1.00 72.55 H new ATOM 1398 N SER A 92 19.137 -27.261 10.071 1.00 21.14 N ATOM 1399 CA SER A 92 20.214 -27.550 9.132 1.00 70.14 C ATOM 1400 C SER A 92 19.692 -27.577 7.698 1.00 34.54 C ATOM 1401 O SER A 92 20.315 -27.033 6.788 1.00 5.22 O ATOM 1402 CB SER A 92 20.871 -28.889 9.473 1.00 43.15 C ATOM 1403 OG SER A 92 21.850 -29.236 8.509 1.00 62.53 O ATOM 0 H SER A 92 18.674 -28.087 10.449 1.00 21.14 H new ATOM 0 HA SER A 92 20.957 -26.757 9.215 1.00 70.14 H new ATOM 0 HB2 SER A 92 21.332 -28.831 10.459 1.00 43.15 H new ATOM 0 HB3 SER A 92 20.111 -29.669 9.521 1.00 43.15 H new ATOM 0 HG SER A 92 22.256 -30.095 8.750 1.00 62.53 H new ATOM 1409 N ALA A 93 18.542 -28.216 7.507 1.00 60.25 N ATOM 1410 CA ALA A 93 17.934 -28.314 6.186 1.00 54.34 C ATOM 1411 C ALA A 93 17.605 -26.932 5.629 1.00 32.52 C ATOM 1412 O ALA A 93 18.150 -26.519 4.606 1.00 41.03 O ATOM 1413 CB ALA A 93 16.680 -29.173 6.244 1.00 35.33 C ATOM 0 H ALA A 93 18.013 -28.673 8.250 1.00 60.25 H new ATOM 0 HA ALA A 93 18.654 -28.786 5.517 1.00 54.34 H new ATOM 0 HB1 ALA A 93 16.237 -29.237 5.250 1.00 35.33 H new ATOM 0 HB2 ALA A 93 16.940 -30.173 6.591 1.00 35.33 H new ATOM 0 HB3 ALA A 93 15.964 -28.725 6.933 1.00 35.33 H new ATOM 1419 N TYR A 94 16.710 -26.224 6.309 1.00 43.22 N ATOM 1420 CA TYR A 94 16.307 -24.890 5.880 1.00 14.13 C ATOM 1421 C TYR A 94 17.519 -23.975 5.732 1.00 34.15 C ATOM 1422 O TYR A 94 17.460 -22.956 5.044 1.00 31.54 O ATOM 1423 CB TYR A 94 15.318 -24.288 6.880 1.00 10.41 C ATOM 1424 CG TYR A 94 14.377 -23.276 6.266 1.00 34.03 C ATOM 1425 CD1 TYR A 94 13.754 -23.527 5.050 1.00 52.44 C ATOM 1426 CD2 TYR A 94 14.111 -22.070 6.902 1.00 14.31 C ATOM 1427 CE1 TYR A 94 12.893 -22.605 4.485 1.00 65.15 C ATOM 1428 CE2 TYR A 94 13.251 -21.143 6.345 1.00 34.21 C ATOM 1429 CZ TYR A 94 12.645 -21.415 5.136 1.00 33.33 C ATOM 1430 OH TYR A 94 11.789 -20.494 4.578 1.00 75.35 O ATOM 0 H TYR A 94 16.250 -26.551 7.159 1.00 43.22 H new ATOM 0 HA TYR A 94 15.822 -24.979 4.908 1.00 14.13 H new ATOM 0 HB2 TYR A 94 14.733 -25.091 7.328 1.00 10.41 H new ATOM 0 HB3 TYR A 94 15.875 -23.811 7.687 1.00 10.41 H new ATOM 0 HD1 TYR A 94 13.946 -24.458 4.537 1.00 52.44 H new ATOM 0 HD2 TYR A 94 14.585 -21.853 7.848 1.00 14.31 H new ATOM 0 HE1 TYR A 94 12.417 -22.816 3.539 1.00 65.15 H new ATOM 0 HE2 TYR A 94 13.054 -20.211 6.853 1.00 34.21 H new ATOM 0 HH TYR A 94 12.222 -19.615 4.557 1.00 75.35 H new ATOM 1440 N GLN A 95 18.616 -24.348 6.383 1.00 11.23 N ATOM 1441 CA GLN A 95 19.842 -23.561 6.325 1.00 63.42 C ATOM 1442 C GLN A 95 20.479 -23.648 4.942 1.00 51.24 C ATOM 1443 O GLN A 95 21.550 -23.089 4.705 1.00 14.15 O ATOM 1444 CB GLN A 95 20.833 -24.043 7.386 1.00 0.01 C ATOM 1445 CG GLN A 95 20.960 -23.100 8.572 1.00 64.22 C ATOM 1446 CD GLN A 95 21.817 -21.888 8.264 1.00 23.02 C ATOM 1447 OE1 GLN A 95 23.027 -22.003 8.063 1.00 74.22 O ATOM 1448 NE2 GLN A 95 21.194 -20.716 8.226 1.00 72.30 N ATOM 0 H GLN A 95 18.681 -25.189 6.956 1.00 11.23 H new ATOM 0 HA GLN A 95 19.586 -22.520 6.523 1.00 63.42 H new ATOM 0 HB2 GLN A 95 20.521 -25.024 7.744 1.00 0.01 H new ATOM 0 HB3 GLN A 95 21.813 -24.169 6.926 1.00 0.01 H new ATOM 0 HG2 GLN A 95 19.967 -22.770 8.877 1.00 64.22 H new ATOM 0 HG3 GLN A 95 21.390 -23.639 9.416 1.00 64.22 H new ATOM 0 HE21 GLN A 95 20.190 -20.666 8.399 1.00 72.30 H new ATOM 0 HE22 GLN A 95 21.719 -19.865 8.024 1.00 72.30 H new ATOM 1457 N GLN A 96 19.813 -24.352 4.032 1.00 51.10 N ATOM 1458 CA GLN A 96 20.315 -24.512 2.672 1.00 2.25 C ATOM 1459 C GLN A 96 20.153 -23.221 1.877 1.00 51.12 C ATOM 1460 O GLN A 96 20.077 -23.242 0.649 1.00 2.11 O ATOM 1461 CB GLN A 96 19.583 -25.655 1.967 1.00 25.01 C ATOM 1462 CG GLN A 96 20.087 -27.034 2.361 1.00 70.31 C ATOM 1463 CD GLN A 96 20.881 -27.703 1.256 1.00 32.21 C ATOM 1464 OE1 GLN A 96 21.506 -27.034 0.433 1.00 72.34 O ATOM 1465 NE2 GLN A 96 20.860 -29.031 1.232 1.00 3.35 N ATOM 0 H GLN A 96 18.925 -24.820 4.212 1.00 51.10 H new ATOM 0 HA GLN A 96 21.377 -24.751 2.729 1.00 2.25 H new ATOM 0 HB2 GLN A 96 18.519 -25.588 2.193 1.00 25.01 H new ATOM 0 HB3 GLN A 96 19.688 -25.533 0.889 1.00 25.01 H new ATOM 0 HG2 GLN A 96 20.711 -26.948 3.251 1.00 70.31 H new ATOM 0 HG3 GLN A 96 19.238 -27.665 2.626 1.00 70.31 H new ATOM 0 HE21 GLN A 96 20.328 -29.545 1.934 1.00 3.35 H new ATOM 0 HE22 GLN A 96 21.376 -29.536 0.511 1.00 3.35 H new ATOM 1474 N GLY A 97 20.100 -22.097 2.586 1.00 74.14 N ATOM 1475 CA GLY A 97 19.946 -20.812 1.929 1.00 70.24 C ATOM 1476 C GLY A 97 18.571 -20.211 2.145 1.00 62.45 C ATOM 1477 O GLY A 97 18.039 -19.531 1.268 1.00 61.32 O ATOM 0 H GLY A 97 20.161 -22.054 3.603 1.00 74.14 H new ATOM 0 HA2 GLY A 97 20.703 -20.123 2.303 1.00 70.24 H new ATOM 0 HA3 GLY A 97 20.123 -20.930 0.860 1.00 70.24 H new ATOM 1481 N ALA A 98 17.994 -20.464 3.315 1.00 72.04 N ATOM 1482 CA ALA A 98 16.673 -19.943 3.643 1.00 52.21 C ATOM 1483 C ALA A 98 16.761 -18.857 4.710 1.00 52.54 C ATOM 1484 O ALA A 98 17.792 -18.696 5.363 1.00 71.01 O ATOM 1485 CB ALA A 98 15.762 -21.069 4.108 1.00 74.12 C ATOM 0 H ALA A 98 18.421 -21.026 4.051 1.00 72.04 H new ATOM 0 HA ALA A 98 16.251 -19.498 2.742 1.00 52.21 H new ATOM 0 HB1 ALA A 98 14.779 -20.665 4.350 1.00 74.12 H new ATOM 0 HB2 ALA A 98 15.665 -21.810 3.314 1.00 74.12 H new ATOM 0 HB3 ALA A 98 16.189 -21.540 4.994 1.00 74.12 H new ATOM 1491 N PHE A 99 15.673 -18.112 4.881 1.00 63.24 N ATOM 1492 CA PHE A 99 15.628 -17.039 5.867 1.00 25.42 C ATOM 1493 C PHE A 99 15.253 -17.581 7.243 1.00 23.44 C ATOM 1494 O PHE A 99 14.536 -18.576 7.356 1.00 2.34 O ATOM 1495 CB PHE A 99 14.626 -15.965 5.439 1.00 23.40 C ATOM 1496 CG PHE A 99 14.322 -14.965 6.517 1.00 21.24 C ATOM 1497 CD1 PHE A 99 15.134 -13.858 6.702 1.00 13.44 C ATOM 1498 CD2 PHE A 99 13.225 -15.133 7.347 1.00 52.13 C ATOM 1499 CE1 PHE A 99 14.857 -12.935 7.694 1.00 75.04 C ATOM 1500 CE2 PHE A 99 12.942 -14.214 8.339 1.00 3.52 C ATOM 1501 CZ PHE A 99 13.760 -13.114 8.514 1.00 52.03 C ATOM 0 H PHE A 99 14.811 -18.232 4.349 1.00 63.24 H new ATOM 0 HA PHE A 99 16.621 -16.595 5.929 1.00 25.42 H new ATOM 0 HB2 PHE A 99 15.018 -15.440 4.568 1.00 23.40 H new ATOM 0 HB3 PHE A 99 13.699 -16.447 5.130 1.00 23.40 H new ATOM 0 HD1 PHE A 99 15.993 -13.714 6.064 1.00 13.44 H new ATOM 0 HD2 PHE A 99 12.584 -15.992 7.217 1.00 52.13 H new ATOM 0 HE1 PHE A 99 15.497 -12.076 7.827 1.00 75.04 H new ATOM 0 HE2 PHE A 99 12.082 -14.355 8.977 1.00 3.52 H new ATOM 0 HZ PHE A 99 13.542 -12.396 9.290 1.00 52.03 H new ATOM 1511 N ASP A 100 15.744 -16.921 8.286 1.00 13.14 N ATOM 1512 CA ASP A 100 15.460 -17.335 9.656 1.00 44.03 C ATOM 1513 C ASP A 100 13.968 -17.586 9.850 1.00 42.13 C ATOM 1514 O ASP A 100 13.176 -16.647 9.935 1.00 5.14 O ATOM 1515 CB ASP A 100 15.944 -16.272 10.643 1.00 1.21 C ATOM 1516 CG ASP A 100 15.831 -16.726 12.085 1.00 73.51 C ATOM 1517 OD1 ASP A 100 15.702 -17.947 12.313 1.00 23.32 O ATOM 1518 OD2 ASP A 100 15.869 -15.861 12.985 1.00 24.30 O ATOM 0 H ASP A 100 16.341 -16.097 8.210 1.00 13.14 H new ATOM 0 HA ASP A 100 15.994 -18.266 9.846 1.00 44.03 H new ATOM 0 HB2 ASP A 100 16.982 -16.023 10.424 1.00 1.21 H new ATOM 0 HB3 ASP A 100 15.362 -15.361 10.505 1.00 1.21 H new ATOM 1523 N TYR A 101 13.591 -18.858 9.917 1.00 4.11 N ATOM 1524 CA TYR A 101 12.194 -19.233 10.097 1.00 11.54 C ATOM 1525 C TYR A 101 11.635 -18.644 11.389 1.00 35.52 C ATOM 1526 O TYR A 101 12.337 -17.950 12.125 1.00 63.02 O ATOM 1527 CB TYR A 101 12.050 -20.755 10.113 1.00 62.31 C ATOM 1528 CG TYR A 101 13.115 -21.456 10.926 1.00 45.22 C ATOM 1529 CD1 TYR A 101 13.366 -21.088 12.242 1.00 22.32 C ATOM 1530 CD2 TYR A 101 13.872 -22.484 10.377 1.00 32.15 C ATOM 1531 CE1 TYR A 101 14.339 -21.725 12.989 1.00 51.24 C ATOM 1532 CE2 TYR A 101 14.845 -23.127 11.117 1.00 65.22 C ATOM 1533 CZ TYR A 101 15.075 -22.744 12.422 1.00 45.13 C ATOM 1534 OH TYR A 101 16.045 -23.381 13.161 1.00 25.10 O ATOM 0 H TYR A 101 14.234 -19.647 9.849 1.00 4.11 H new ATOM 0 HA TYR A 101 11.625 -18.831 9.259 1.00 11.54 H new ATOM 0 HB2 TYR A 101 11.070 -21.015 10.513 1.00 62.31 H new ATOM 0 HB3 TYR A 101 12.084 -21.126 9.088 1.00 62.31 H new ATOM 0 HD1 TYR A 101 12.791 -20.291 12.689 1.00 22.32 H new ATOM 0 HD2 TYR A 101 13.697 -22.785 9.355 1.00 32.15 H new ATOM 0 HE1 TYR A 101 14.522 -21.426 14.011 1.00 51.24 H new ATOM 0 HE2 TYR A 101 15.423 -23.926 10.676 1.00 65.22 H new ATOM 0 HH TYR A 101 15.852 -23.273 14.116 1.00 25.10 H new ATOM 1544 N LEU A 102 10.365 -18.928 11.659 1.00 22.14 N ATOM 1545 CA LEU A 102 9.709 -18.429 12.863 1.00 40.11 C ATOM 1546 C LEU A 102 8.852 -19.514 13.506 1.00 72.41 C ATOM 1547 O LEU A 102 7.811 -19.911 12.980 1.00 3.33 O ATOM 1548 CB LEU A 102 8.845 -17.212 12.529 1.00 51.31 C ATOM 1549 CG LEU A 102 7.684 -16.930 13.484 1.00 62.23 C ATOM 1550 CD1 LEU A 102 8.195 -16.324 14.781 1.00 5.32 C ATOM 1551 CD2 LEU A 102 6.665 -16.010 12.828 1.00 43.23 C ATOM 0 H LEU A 102 9.770 -19.501 11.061 1.00 22.14 H new ATOM 0 HA LEU A 102 10.482 -18.135 13.573 1.00 40.11 H new ATOM 0 HB2 LEU A 102 9.488 -16.332 12.501 1.00 51.31 H new ATOM 0 HB3 LEU A 102 8.440 -17.343 11.526 1.00 51.31 H new ATOM 0 HG LEU A 102 7.193 -17.875 13.717 1.00 62.23 H new ATOM 0 HD11 LEU A 102 7.355 -16.130 15.448 1.00 5.32 H new ATOM 0 HD12 LEU A 102 8.886 -17.018 15.260 1.00 5.32 H new ATOM 0 HD13 LEU A 102 8.711 -15.388 14.567 1.00 5.32 H new ATOM 0 HD21 LEU A 102 5.846 -15.820 13.522 1.00 43.23 H new ATOM 0 HD22 LEU A 102 7.143 -15.067 12.564 1.00 43.23 H new ATOM 0 HD23 LEU A 102 6.275 -16.483 11.927 1.00 43.23 H new ATOM 1563 N PRO A 103 9.296 -20.006 14.672 1.00 71.30 N ATOM 1564 CA PRO A 103 8.583 -21.051 15.414 1.00 51.45 C ATOM 1565 C PRO A 103 7.275 -20.546 16.013 1.00 53.34 C ATOM 1566 O PRO A 103 7.193 -19.413 16.487 1.00 4.51 O ATOM 1567 CB PRO A 103 9.566 -21.433 16.522 1.00 5.34 C ATOM 1568 CG PRO A 103 10.413 -20.221 16.712 1.00 32.40 C ATOM 1569 CD PRO A 103 10.528 -19.581 15.357 1.00 42.44 C ATOM 0 HA PRO A 103 8.299 -21.885 14.772 1.00 51.45 H new ATOM 0 HB2 PRO A 103 9.043 -21.699 17.441 1.00 5.34 H new ATOM 0 HB3 PRO A 103 10.168 -22.296 16.237 1.00 5.34 H new ATOM 0 HG2 PRO A 103 9.960 -19.537 17.430 1.00 32.40 H new ATOM 0 HG3 PRO A 103 11.395 -20.488 17.102 1.00 32.40 H new ATOM 0 HD2 PRO A 103 10.593 -18.495 15.430 1.00 42.44 H new ATOM 0 HD3 PRO A 103 11.419 -19.919 14.828 1.00 42.44 H new ATOM 1577 N LYS A 104 6.252 -21.394 15.988 1.00 0.42 N ATOM 1578 CA LYS A 104 4.947 -21.035 16.530 1.00 11.14 C ATOM 1579 C LYS A 104 4.806 -21.513 17.972 1.00 64.21 C ATOM 1580 O LYS A 104 5.357 -22.542 18.366 1.00 14.45 O ATOM 1581 CB LYS A 104 3.832 -21.636 15.671 1.00 21.14 C ATOM 1582 CG LYS A 104 4.021 -23.114 15.377 1.00 62.11 C ATOM 1583 CD LYS A 104 2.711 -23.777 14.987 1.00 33.23 C ATOM 1584 CE LYS A 104 1.815 -23.995 16.197 1.00 12.41 C ATOM 1585 NZ LYS A 104 1.427 -25.424 16.351 1.00 65.24 N ATOM 0 H LYS A 104 6.302 -22.335 15.598 1.00 0.42 H new ATOM 0 HA LYS A 104 4.862 -19.948 16.516 1.00 11.14 H new ATOM 0 HB2 LYS A 104 2.878 -21.494 16.178 1.00 21.14 H new ATOM 0 HB3 LYS A 104 3.777 -21.091 14.729 1.00 21.14 H new ATOM 0 HG2 LYS A 104 4.745 -23.236 14.572 1.00 62.11 H new ATOM 0 HG3 LYS A 104 4.434 -23.611 16.255 1.00 62.11 H new ATOM 0 HD2 LYS A 104 2.192 -23.158 14.255 1.00 33.23 H new ATOM 0 HD3 LYS A 104 2.915 -24.734 14.507 1.00 33.23 H new ATOM 0 HE2 LYS A 104 2.332 -23.660 17.096 1.00 12.41 H new ATOM 0 HE3 LYS A 104 0.918 -23.384 16.099 1.00 12.41 H new ATOM 0 HZ1 LYS A 104 0.817 -25.530 17.187 1.00 65.24 H new ATOM 0 HZ2 LYS A 104 0.911 -25.737 15.504 1.00 65.24 H new ATOM 0 HZ3 LYS A 104 2.281 -26.005 16.470 1.00 65.24 H new ATOM 1599 N PRO A 105 4.051 -20.752 18.778 1.00 24.10 N ATOM 1600 CA PRO A 105 3.392 -19.526 18.320 1.00 41.33 C ATOM 1601 C PRO A 105 4.386 -18.406 18.031 1.00 24.14 C ATOM 1602 O PRO A 105 5.579 -18.535 18.307 1.00 24.40 O ATOM 1603 CB PRO A 105 2.488 -19.148 19.496 1.00 60.22 C ATOM 1604 CG PRO A 105 3.140 -19.762 20.687 1.00 51.43 C ATOM 1605 CD PRO A 105 3.784 -21.030 20.199 1.00 13.11 C ATOM 0 HA PRO A 105 2.855 -19.678 17.384 1.00 41.33 H new ATOM 0 HB2 PRO A 105 2.408 -18.066 19.602 1.00 60.22 H new ATOM 0 HB3 PRO A 105 1.477 -19.530 19.357 1.00 60.22 H new ATOM 0 HG2 PRO A 105 3.881 -19.088 21.117 1.00 51.43 H new ATOM 0 HG3 PRO A 105 2.409 -19.971 21.468 1.00 51.43 H new ATOM 0 HD2 PRO A 105 4.702 -21.250 20.745 1.00 13.11 H new ATOM 0 HD3 PRO A 105 3.125 -21.889 20.323 1.00 13.11 H new ATOM 1613 N PHE A 106 3.888 -17.307 17.476 1.00 52.25 N ATOM 1614 CA PHE A 106 4.733 -16.164 17.149 1.00 30.14 C ATOM 1615 C PHE A 106 4.010 -14.852 17.440 1.00 72.31 C ATOM 1616 O PHE A 106 2.805 -14.733 17.219 1.00 74.13 O ATOM 1617 CB PHE A 106 5.150 -16.215 15.678 1.00 10.31 C ATOM 1618 CG PHE A 106 3.996 -16.097 14.724 1.00 42.04 C ATOM 1619 CD1 PHE A 106 3.464 -14.857 14.409 1.00 41.10 C ATOM 1620 CD2 PHE A 106 3.444 -17.226 14.141 1.00 62.13 C ATOM 1621 CE1 PHE A 106 2.402 -14.746 13.532 1.00 50.03 C ATOM 1622 CE2 PHE A 106 2.382 -17.121 13.262 1.00 21.42 C ATOM 1623 CZ PHE A 106 1.861 -15.879 12.957 1.00 61.44 C ATOM 0 H PHE A 106 2.903 -17.183 17.243 1.00 52.25 H new ATOM 0 HA PHE A 106 5.625 -16.213 17.774 1.00 30.14 H new ATOM 0 HB2 PHE A 106 5.858 -15.410 15.481 1.00 10.31 H new ATOM 0 HB3 PHE A 106 5.673 -17.152 15.489 1.00 10.31 H new ATOM 0 HD1 PHE A 106 3.884 -13.967 14.854 1.00 41.10 H new ATOM 0 HD2 PHE A 106 3.848 -18.200 14.376 1.00 62.13 H new ATOM 0 HE1 PHE A 106 1.995 -13.774 13.296 1.00 50.03 H new ATOM 0 HE2 PHE A 106 1.960 -18.009 12.815 1.00 21.42 H new ATOM 0 HZ PHE A 106 1.032 -15.794 12.270 1.00 61.44 H new ATOM 1633 N ASP A 107 4.754 -13.871 17.937 1.00 5.02 N ATOM 1634 CA ASP A 107 4.186 -12.567 18.258 1.00 32.01 C ATOM 1635 C ASP A 107 3.907 -11.768 16.989 1.00 65.24 C ATOM 1636 O ASP A 107 4.832 -11.349 16.292 1.00 24.30 O ATOM 1637 CB ASP A 107 5.132 -11.785 19.171 1.00 52.14 C ATOM 1638 CG ASP A 107 5.210 -12.374 20.565 1.00 20.32 C ATOM 1639 OD1 ASP A 107 4.159 -12.458 21.234 1.00 14.12 O ATOM 1640 OD2 ASP A 107 6.322 -12.753 20.987 1.00 5.33 O ATOM 0 H ASP A 107 5.753 -13.954 18.127 1.00 5.02 H new ATOM 0 HA ASP A 107 3.242 -12.728 18.779 1.00 32.01 H new ATOM 0 HB2 ASP A 107 6.129 -11.770 18.730 1.00 52.14 H new ATOM 0 HB3 ASP A 107 4.797 -10.750 19.235 1.00 52.14 H new ATOM 1645 N ILE A 108 2.628 -11.562 16.694 1.00 63.21 N ATOM 1646 CA ILE A 108 2.229 -10.814 15.508 1.00 10.15 C ATOM 1647 C ILE A 108 3.057 -9.542 15.357 1.00 75.25 C ATOM 1648 O ILE A 108 3.370 -9.123 14.242 1.00 1.23 O ATOM 1649 CB ILE A 108 0.736 -10.439 15.556 1.00 40.10 C ATOM 1650 CG1 ILE A 108 -0.127 -11.643 15.175 1.00 32.30 C ATOM 1651 CG2 ILE A 108 0.455 -9.265 14.630 1.00 41.11 C ATOM 1652 CD1 ILE A 108 -1.499 -11.629 15.812 1.00 20.44 C ATOM 0 H ILE A 108 1.850 -11.902 17.260 1.00 63.21 H new ATOM 0 HA ILE A 108 2.405 -11.463 14.650 1.00 10.15 H new ATOM 0 HB ILE A 108 0.483 -10.142 16.574 1.00 40.10 H new ATOM 0 HG12 ILE A 108 -0.239 -11.671 14.091 1.00 32.30 H new ATOM 0 HG13 ILE A 108 0.390 -12.557 15.466 1.00 32.30 H new ATOM 0 HG21 ILE A 108 -0.604 -9.012 14.675 1.00 41.11 H new ATOM 0 HG22 ILE A 108 1.047 -8.405 14.943 1.00 41.11 H new ATOM 0 HG23 ILE A 108 0.720 -9.536 13.608 1.00 41.11 H new ATOM 0 HD11 ILE A 108 -2.055 -12.512 15.497 1.00 20.44 H new ATOM 0 HD12 ILE A 108 -1.396 -11.632 16.897 1.00 20.44 H new ATOM 0 HD13 ILE A 108 -2.035 -10.733 15.501 1.00 20.44 H new ATOM 1664 N ASP A 109 3.409 -8.934 16.484 1.00 55.12 N ATOM 1665 CA ASP A 109 4.203 -7.711 16.477 1.00 51.11 C ATOM 1666 C ASP A 109 5.570 -7.954 15.845 1.00 31.41 C ATOM 1667 O ASP A 109 6.039 -7.158 15.033 1.00 72.13 O ATOM 1668 CB ASP A 109 4.373 -7.180 17.901 1.00 13.31 C ATOM 1669 CG ASP A 109 3.987 -5.719 18.024 1.00 51.31 C ATOM 1670 OD1 ASP A 109 2.776 -5.419 17.968 1.00 42.42 O ATOM 1671 OD2 ASP A 109 4.896 -4.875 18.175 1.00 33.42 O ATOM 0 H ASP A 109 3.157 -9.268 17.414 1.00 55.12 H new ATOM 0 HA ASP A 109 3.674 -6.967 15.881 1.00 51.11 H new ATOM 0 HB2 ASP A 109 3.762 -7.773 18.582 1.00 13.31 H new ATOM 0 HB3 ASP A 109 5.410 -7.306 18.211 1.00 13.31 H new ATOM 1676 N GLU A 110 6.204 -9.059 16.225 1.00 33.44 N ATOM 1677 CA GLU A 110 7.518 -9.406 15.697 1.00 51.31 C ATOM 1678 C GLU A 110 7.400 -10.021 14.306 1.00 72.44 C ATOM 1679 O GLU A 110 8.302 -9.891 13.479 1.00 50.20 O ATOM 1680 CB GLU A 110 8.231 -10.379 16.638 1.00 15.24 C ATOM 1681 CG GLU A 110 9.621 -9.923 17.046 1.00 45.11 C ATOM 1682 CD GLU A 110 10.600 -11.075 17.171 1.00 14.20 C ATOM 1683 OE1 GLU A 110 10.569 -11.975 16.306 1.00 73.20 O ATOM 1684 OE2 GLU A 110 11.395 -11.076 18.133 1.00 24.42 O ATOM 0 H GLU A 110 5.829 -9.729 16.896 1.00 33.44 H new ATOM 0 HA GLU A 110 8.104 -8.490 15.622 1.00 51.31 H new ATOM 0 HB2 GLU A 110 7.625 -10.515 17.534 1.00 15.24 H new ATOM 0 HB3 GLU A 110 8.305 -11.352 16.153 1.00 15.24 H new ATOM 0 HG2 GLU A 110 9.996 -9.211 16.311 1.00 45.11 H new ATOM 0 HG3 GLU A 110 9.562 -9.397 17.999 1.00 45.11 H new ATOM 1691 N ALA A 111 6.281 -10.693 14.055 1.00 33.23 N ATOM 1692 CA ALA A 111 6.043 -11.328 12.765 1.00 42.01 C ATOM 1693 C ALA A 111 5.889 -10.287 11.661 1.00 32.12 C ATOM 1694 O ALA A 111 6.624 -10.300 10.674 1.00 25.22 O ATOM 1695 CB ALA A 111 4.809 -12.215 12.832 1.00 22.55 C ATOM 0 H ALA A 111 5.525 -10.812 14.729 1.00 33.23 H new ATOM 0 HA ALA A 111 6.909 -11.947 12.528 1.00 42.01 H new ATOM 0 HB1 ALA A 111 4.644 -12.683 11.861 1.00 22.55 H new ATOM 0 HB2 ALA A 111 4.957 -12.988 13.586 1.00 22.55 H new ATOM 0 HB3 ALA A 111 3.941 -11.611 13.096 1.00 22.55 H new ATOM 1701 N VAL A 112 4.927 -9.386 11.834 1.00 32.12 N ATOM 1702 CA VAL A 112 4.676 -8.337 10.853 1.00 61.53 C ATOM 1703 C VAL A 112 5.969 -7.629 10.463 1.00 15.12 C ATOM 1704 O VAL A 112 6.134 -7.202 9.321 1.00 1.52 O ATOM 1705 CB VAL A 112 3.674 -7.297 11.387 1.00 51.12 C ATOM 1706 CG1 VAL A 112 3.709 -6.036 10.536 1.00 35.32 C ATOM 1707 CG2 VAL A 112 2.271 -7.882 11.430 1.00 74.50 C ATOM 0 H VAL A 112 4.309 -9.362 12.645 1.00 32.12 H new ATOM 0 HA VAL A 112 4.251 -8.821 9.974 1.00 61.53 H new ATOM 0 HB VAL A 112 3.962 -7.029 12.403 1.00 51.12 H new ATOM 0 HG11 VAL A 112 2.994 -5.312 10.928 1.00 35.32 H new ATOM 0 HG12 VAL A 112 4.711 -5.607 10.562 1.00 35.32 H new ATOM 0 HG13 VAL A 112 3.447 -6.284 9.507 1.00 35.32 H new ATOM 0 HG21 VAL A 112 1.576 -7.133 11.810 1.00 74.50 H new ATOM 0 HG22 VAL A 112 1.970 -8.180 10.426 1.00 74.50 H new ATOM 0 HG23 VAL A 112 2.260 -8.753 12.085 1.00 74.50 H new ATOM 1717 N ALA A 113 6.882 -7.508 11.420 1.00 24.45 N ATOM 1718 CA ALA A 113 8.162 -6.854 11.177 1.00 11.11 C ATOM 1719 C ALA A 113 9.171 -7.827 10.576 1.00 54.20 C ATOM 1720 O ALA A 113 10.021 -7.439 9.774 1.00 41.41 O ATOM 1721 CB ALA A 113 8.704 -6.259 12.468 1.00 3.21 C ATOM 0 H ALA A 113 6.759 -7.854 12.372 1.00 24.45 H new ATOM 0 HA ALA A 113 8.000 -6.050 10.459 1.00 11.11 H new ATOM 0 HB1 ALA A 113 9.660 -5.774 12.272 1.00 3.21 H new ATOM 0 HB2 ALA A 113 7.997 -5.525 12.855 1.00 3.21 H new ATOM 0 HB3 ALA A 113 8.843 -7.051 13.203 1.00 3.21 H new ATOM 1727 N LEU A 114 9.072 -9.092 10.969 1.00 55.14 N ATOM 1728 CA LEU A 114 9.976 -10.121 10.469 1.00 63.34 C ATOM 1729 C LEU A 114 9.889 -10.232 8.950 1.00 70.21 C ATOM 1730 O LEU A 114 10.902 -10.394 8.269 1.00 0.33 O ATOM 1731 CB LEU A 114 9.649 -11.471 11.110 1.00 71.14 C ATOM 1732 CG LEU A 114 10.421 -12.675 10.570 1.00 71.44 C ATOM 1733 CD1 LEU A 114 11.827 -12.711 11.148 1.00 70.12 C ATOM 1734 CD2 LEU A 114 9.681 -13.968 10.883 1.00 55.51 C ATOM 0 H LEU A 114 8.375 -9.430 11.632 1.00 55.14 H new ATOM 0 HA LEU A 114 10.994 -9.836 10.736 1.00 63.34 H new ATOM 0 HB2 LEU A 114 9.835 -11.396 12.181 1.00 71.14 H new ATOM 0 HB3 LEU A 114 8.583 -11.662 10.984 1.00 71.14 H new ATOM 0 HG LEU A 114 10.498 -12.576 9.487 1.00 71.44 H new ATOM 0 HD11 LEU A 114 12.361 -13.575 10.752 1.00 70.12 H new ATOM 0 HD12 LEU A 114 12.357 -11.799 10.873 1.00 70.12 H new ATOM 0 HD13 LEU A 114 11.772 -12.785 12.234 1.00 70.12 H new ATOM 0 HD21 LEU A 114 10.245 -14.814 10.491 1.00 55.51 H new ATOM 0 HD22 LEU A 114 9.572 -14.073 11.962 1.00 55.51 H new ATOM 0 HD23 LEU A 114 8.695 -13.944 10.420 1.00 55.51 H new ATOM 1746 N VAL A 115 8.671 -10.142 8.424 1.00 24.21 N ATOM 1747 CA VAL A 115 8.452 -10.229 6.985 1.00 34.04 C ATOM 1748 C VAL A 115 8.967 -8.983 6.275 1.00 42.25 C ATOM 1749 O VAL A 115 9.520 -9.066 5.178 1.00 20.14 O ATOM 1750 CB VAL A 115 6.958 -10.414 6.656 1.00 44.21 C ATOM 1751 CG1 VAL A 115 6.135 -9.286 7.259 1.00 52.03 C ATOM 1752 CG2 VAL A 115 6.751 -10.491 5.151 1.00 51.02 C ATOM 0 H VAL A 115 7.822 -10.009 8.973 1.00 24.21 H new ATOM 0 HA VAL A 115 9.005 -11.099 6.632 1.00 34.04 H new ATOM 0 HB VAL A 115 6.620 -11.353 7.095 1.00 44.21 H new ATOM 0 HG11 VAL A 115 5.083 -9.433 7.016 1.00 52.03 H new ATOM 0 HG12 VAL A 115 6.261 -9.283 8.342 1.00 52.03 H new ATOM 0 HG13 VAL A 115 6.471 -8.332 6.852 1.00 52.03 H new ATOM 0 HG21 VAL A 115 5.690 -10.622 4.936 1.00 51.02 H new ATOM 0 HG22 VAL A 115 7.104 -9.570 4.688 1.00 51.02 H new ATOM 0 HG23 VAL A 115 7.310 -11.337 4.750 1.00 51.02 H new ATOM 1762 N GLU A 116 8.782 -7.828 6.907 1.00 24.20 N ATOM 1763 CA GLU A 116 9.229 -6.564 6.334 1.00 62.01 C ATOM 1764 C GLU A 116 10.751 -6.522 6.228 1.00 30.13 C ATOM 1765 O GLU A 116 11.307 -5.792 5.408 1.00 51.04 O ATOM 1766 CB GLU A 116 8.733 -5.391 7.182 1.00 44.34 C ATOM 1767 CG GLU A 116 8.035 -4.309 6.375 1.00 61.03 C ATOM 1768 CD GLU A 116 8.403 -2.911 6.832 1.00 15.14 C ATOM 1769 OE1 GLU A 116 9.469 -2.411 6.418 1.00 63.51 O ATOM 1770 OE2 GLU A 116 7.622 -2.316 7.605 1.00 23.13 O ATOM 0 H GLU A 116 8.326 -7.742 7.815 1.00 24.20 H new ATOM 0 HA GLU A 116 8.810 -6.481 5.331 1.00 62.01 H new ATOM 0 HB2 GLU A 116 8.046 -5.767 7.941 1.00 44.34 H new ATOM 0 HB3 GLU A 116 9.580 -4.951 7.709 1.00 44.34 H new ATOM 0 HG2 GLU A 116 8.293 -4.423 5.322 1.00 61.03 H new ATOM 0 HG3 GLU A 116 6.956 -4.441 6.455 1.00 61.03 H new ATOM 1777 N ARG A 117 11.418 -7.310 7.065 1.00 62.20 N ATOM 1778 CA ARG A 117 12.875 -7.362 7.068 1.00 61.34 C ATOM 1779 C ARG A 117 13.400 -7.968 5.769 1.00 12.10 C ATOM 1780 O ARG A 117 14.460 -7.583 5.277 1.00 21.11 O ATOM 1781 CB ARG A 117 13.375 -8.177 8.262 1.00 64.44 C ATOM 1782 CG ARG A 117 14.795 -8.693 8.095 1.00 63.32 C ATOM 1783 CD ARG A 117 15.569 -8.626 9.402 1.00 65.51 C ATOM 1784 NE ARG A 117 16.516 -7.515 9.421 1.00 4.20 N ATOM 1785 CZ ARG A 117 17.408 -7.325 10.387 1.00 33.15 C ATOM 1786 NH1 ARG A 117 17.474 -8.169 11.408 1.00 73.11 N ATOM 1787 NH2 ARG A 117 18.236 -6.290 10.334 1.00 11.31 N ATOM 0 H ARG A 117 10.973 -7.921 7.750 1.00 62.20 H new ATOM 0 HA ARG A 117 13.250 -6.342 7.151 1.00 61.34 H new ATOM 0 HB2 ARG A 117 13.325 -7.560 9.159 1.00 64.44 H new ATOM 0 HB3 ARG A 117 12.706 -9.023 8.419 1.00 64.44 H new ATOM 0 HG2 ARG A 117 14.770 -9.723 7.738 1.00 63.32 H new ATOM 0 HG3 ARG A 117 15.310 -8.105 7.335 1.00 63.32 H new ATOM 0 HD2 ARG A 117 14.870 -8.521 10.232 1.00 65.51 H new ATOM 0 HD3 ARG A 117 16.106 -9.562 9.554 1.00 65.51 H new ATOM 0 HE ARG A 117 16.491 -6.848 8.650 1.00 4.20 H new ATOM 0 HH11 ARG A 117 16.839 -8.966 11.453 1.00 73.11 H new ATOM 0 HH12 ARG A 117 18.160 -8.021 12.148 1.00 73.11 H new ATOM 0 HH21 ARG A 117 18.188 -5.638 9.551 1.00 11.31 H new ATOM 0 HH22 ARG A 117 18.920 -6.146 11.077 1.00 11.31 H new ATOM 1801 N ALA A 118 12.650 -8.918 5.220 1.00 51.33 N ATOM 1802 CA ALA A 118 13.038 -9.575 3.978 1.00 24.32 C ATOM 1803 C ALA A 118 12.599 -8.762 2.765 1.00 1.14 C ATOM 1804 O ALA A 118 13.315 -8.684 1.767 1.00 40.24 O ATOM 1805 CB ALA A 118 12.450 -10.977 3.917 1.00 22.10 C ATOM 0 H ALA A 118 11.770 -9.250 5.616 1.00 51.33 H new ATOM 0 HA ALA A 118 14.125 -9.647 3.959 1.00 24.32 H new ATOM 0 HB1 ALA A 118 12.748 -11.456 2.984 1.00 22.10 H new ATOM 0 HB2 ALA A 118 12.818 -11.563 4.759 1.00 22.10 H new ATOM 0 HB3 ALA A 118 11.363 -10.918 3.964 1.00 22.10 H new ATOM 1811 N ILE A 119 11.419 -8.159 2.859 1.00 11.23 N ATOM 1812 CA ILE A 119 10.885 -7.351 1.769 1.00 24.34 C ATOM 1813 C ILE A 119 11.637 -6.030 1.645 1.00 63.52 C ATOM 1814 O ILE A 119 12.158 -5.699 0.580 1.00 42.01 O ATOM 1815 CB ILE A 119 9.386 -7.059 1.967 1.00 43.02 C ATOM 1816 CG1 ILE A 119 8.617 -8.361 2.198 1.00 13.05 C ATOM 1817 CG2 ILE A 119 8.829 -6.315 0.763 1.00 54.23 C ATOM 1818 CD1 ILE A 119 7.234 -8.151 2.774 1.00 74.21 C ATOM 0 H ILE A 119 10.814 -8.214 3.679 1.00 11.23 H new ATOM 0 HA ILE A 119 11.016 -7.929 0.854 1.00 24.34 H new ATOM 0 HB ILE A 119 9.266 -6.428 2.847 1.00 43.02 H new ATOM 0 HG12 ILE A 119 8.531 -8.895 1.252 1.00 13.05 H new ATOM 0 HG13 ILE A 119 9.190 -8.997 2.872 1.00 13.05 H new ATOM 0 HG21 ILE A 119 7.769 -6.116 0.917 1.00 54.23 H new ATOM 0 HG22 ILE A 119 9.361 -5.372 0.640 1.00 54.23 H new ATOM 0 HG23 ILE A 119 8.957 -6.924 -0.132 1.00 54.23 H new ATOM 0 HD11 ILE A 119 6.747 -9.116 2.912 1.00 74.21 H new ATOM 0 HD12 ILE A 119 7.314 -7.644 3.736 1.00 74.21 H new ATOM 0 HD13 ILE A 119 6.644 -7.541 2.090 1.00 74.21 H new ATOM 1830 N SER A 120 11.691 -5.281 2.741 1.00 1.21 N ATOM 1831 CA SER A 120 12.378 -3.995 2.755 1.00 51.54 C ATOM 1832 C SER A 120 13.835 -4.152 2.332 1.00 63.42 C ATOM 1833 O SER A 120 14.463 -3.204 1.858 1.00 33.43 O ATOM 1834 CB SER A 120 12.304 -3.368 4.148 1.00 4.23 C ATOM 1835 OG SER A 120 12.463 -1.961 4.084 1.00 61.11 O ATOM 0 H SER A 120 11.267 -5.542 3.631 1.00 1.21 H new ATOM 0 HA SER A 120 11.880 -3.338 2.042 1.00 51.54 H new ATOM 0 HB2 SER A 120 11.345 -3.608 4.608 1.00 4.23 H new ATOM 0 HB3 SER A 120 13.079 -3.796 4.784 1.00 4.23 H new ATOM 0 HG SER A 120 12.410 -1.584 4.987 1.00 61.11 H new ATOM 1841 N HIS A 121 14.368 -5.358 2.507 1.00 43.45 N ATOM 1842 CA HIS A 121 15.752 -5.641 2.143 1.00 61.50 C ATOM 1843 C HIS A 121 16.014 -5.287 0.682 1.00 33.13 C ATOM 1844 O HIS A 121 17.148 -5.007 0.295 1.00 44.12 O ATOM 1845 CB HIS A 121 16.074 -7.116 2.388 1.00 75.14 C ATOM 1846 CG HIS A 121 17.534 -7.434 2.297 1.00 4.33 C ATOM 1847 ND1 HIS A 121 18.123 -7.955 1.164 1.00 33.25 N ATOM 1848 CD2 HIS A 121 18.528 -7.299 3.207 1.00 35.02 C ATOM 1849 CE1 HIS A 121 19.414 -8.129 1.382 1.00 60.21 C ATOM 1850 NE2 HIS A 121 19.685 -7.738 2.614 1.00 65.30 N ATOM 0 H HIS A 121 13.863 -6.153 2.898 1.00 43.45 H new ATOM 0 HA HIS A 121 16.399 -5.026 2.769 1.00 61.50 H new ATOM 0 HB2 HIS A 121 15.710 -7.400 3.375 1.00 75.14 H new ATOM 0 HB3 HIS A 121 15.533 -7.723 1.662 1.00 75.14 H new ATOM 0 HD1 HIS A 121 17.637 -8.172 0.294 1.00 33.25 H new ATOM 0 HD2 HIS A 121 18.429 -6.917 4.212 1.00 35.02 H new ATOM 0 HE1 HIS A 121 20.127 -8.524 0.673 1.00 60.21 H new ATOM 1858 N TYR A 122 14.958 -5.302 -0.123 1.00 73.23 N ATOM 1859 CA TYR A 122 15.074 -4.986 -1.542 1.00 12.42 C ATOM 1860 C TYR A 122 14.505 -3.602 -1.840 1.00 11.35 C ATOM 1861 O TYR A 122 15.228 -2.699 -2.260 1.00 63.31 O ATOM 1862 CB TYR A 122 14.349 -6.039 -2.382 1.00 2.41 C ATOM 1863 CG TYR A 122 14.607 -7.458 -1.928 1.00 45.33 C ATOM 1864 CD1 TYR A 122 15.865 -8.033 -2.063 1.00 4.42 C ATOM 1865 CD2 TYR A 122 13.594 -8.224 -1.366 1.00 51.14 C ATOM 1866 CE1 TYR A 122 16.106 -9.329 -1.651 1.00 20.04 C ATOM 1867 CE2 TYR A 122 13.826 -9.520 -0.950 1.00 32.50 C ATOM 1868 CZ TYR A 122 15.083 -10.069 -1.094 1.00 43.43 C ATOM 1869 OH TYR A 122 15.318 -11.360 -0.682 1.00 71.41 O ATOM 0 H TYR A 122 14.012 -5.530 0.182 1.00 73.23 H new ATOM 0 HA TYR A 122 16.132 -4.988 -1.803 1.00 12.42 H new ATOM 0 HB2 TYR A 122 13.277 -5.844 -2.347 1.00 2.41 H new ATOM 0 HB3 TYR A 122 14.658 -5.937 -3.422 1.00 2.41 H new ATOM 0 HD1 TYR A 122 16.668 -7.456 -2.498 1.00 4.42 H new ATOM 0 HD2 TYR A 122 12.608 -7.799 -1.252 1.00 51.14 H new ATOM 0 HE1 TYR A 122 17.089 -9.761 -1.764 1.00 20.04 H new ATOM 0 HE2 TYR A 122 13.027 -10.101 -0.514 1.00 32.50 H new ATOM 0 HH TYR A 122 15.284 -11.961 -1.455 1.00 71.41 H new