USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 673 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 5 THR OG1 : rot 17:sc= 0.282 USER MOD Set 1.2: A 92 GLN : amide:sc= -0.0179 K(o=0.26,f=-0.58) USER MOD Set 2.1: A 4 SER OG : rot 122:sc= 0.291 USER MOD Set 2.2: A 71 GLN : amide:sc= -2.39! C(o=-2.1!,f=-1.8!) USER MOD Set 3.1: A 51 HIS : no HD1:sc= -4.57! C(o=-6!,f=-6.7!) USER MOD Set 3.2: A 54 HIS : no HD1:sc= -1.47 K(o=-6,f=-6.7!) USER MOD Set 4.1: A 44 SER OG : rot 9:sc= 0.842 USER MOD Set 4.2: A 66 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 10 THR OG1 : rot 101:sc= -2.5 USER MOD Set 5.2: A 81 MET CE :methyl -121:sc= -4.52 (180deg=-7.84!) USER MOD Set 6.1: A 6 SER OG : rot 140:sc= -0.671 USER MOD Set 6.2: A 57 MET CE :methyl 163:sc= -6.5! (180deg=-5.17!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= -1.07 (180deg=-1.12) USER MOD Single : A 7 HIS :FLIP no HD1:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 12 SER OG : rot -57:sc= 1.25 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -3.74! C(o=-3.7!,f=-4.9!) USER MOD Single : A 21 CYS SG : rot -45:sc= -2.07 USER MOD Single : A 22 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0763) USER MOD Single : A 23 HIS : no HE2:sc= 0.024 K(o=0.024,f=-0.71) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 35:sc= 0.379 USER MOD Single : A 45 ASN : amide:sc= -4.4! C(o=-4.4!,f=-5.6!) USER MOD Single : A 46 CYS SG : rot 55:sc= -0.515 USER MOD Single : A 60 ASN : amide:sc= -3.51 K(o=-3.5,f=-4.1!) USER MOD Single : A 61 SER OG : rot -61:sc= -7.21! USER MOD Single : A 69 HIS : no HE2:sc= 0.179 K(o=0.18,f=-2.8!) USER MOD Single : A 70 MET CE :methyl 177:sc= -3.33! (180deg=-3.41!) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 77 HIS : no HD1:sc= -3.42 K(o=-3.4,f=-4.2!) USER MOD Single : A 79 GLN : amide:sc= -2.6 K(o=-2.6,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.445 15.181 -5.099 1.00 0.00 N ATOM 2 CA MET A 1 6.833 14.069 -4.321 1.00 0.00 C ATOM 3 C MET A 1 5.405 14.401 -3.901 1.00 0.00 C ATOM 4 O MET A 1 5.155 14.979 -2.844 1.00 0.00 O ATOM 5 CB MET A 1 7.716 13.757 -3.108 1.00 0.00 C ATOM 6 CG MET A 1 7.743 14.852 -2.052 1.00 0.00 C ATOM 7 SD MET A 1 7.565 14.207 -0.378 1.00 0.00 S ATOM 8 CE MET A 1 9.231 14.421 0.246 1.00 0.00 C ATOM 0 H1 MET A 1 8.446 14.967 -5.282 1.00 0.00 H new ATOM 0 H2 MET A 1 6.943 15.289 -6.004 1.00 0.00 H new ATOM 0 H3 MET A 1 7.373 16.065 -4.556 1.00 0.00 H new ATOM 0 HA MET A 1 6.774 13.184 -4.954 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.366 12.833 -2.647 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.734 13.576 -3.452 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.681 15.401 -2.128 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.941 15.563 -2.251 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.282 14.067 1.275 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.926 13.850 -0.369 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.499 15.477 0.212 1.00 0.00 H new ATOM 17 N PHE A 2 4.471 14.003 -4.749 1.00 0.00 N ATOM 18 CA PHE A 2 3.047 14.218 -4.499 1.00 0.00 C ATOM 19 C PHE A 2 2.537 13.107 -3.589 1.00 0.00 C ATOM 20 O PHE A 2 3.263 12.144 -3.338 1.00 0.00 O ATOM 21 CB PHE A 2 2.258 14.246 -5.820 1.00 0.00 C ATOM 22 CG PHE A 2 3.073 14.654 -7.016 1.00 0.00 C ATOM 23 CD1 PHE A 2 3.627 15.923 -7.092 1.00 0.00 C ATOM 24 CD2 PHE A 2 3.275 13.773 -8.067 1.00 0.00 C ATOM 25 CE1 PHE A 2 4.370 16.303 -8.193 1.00 0.00 C ATOM 26 CE2 PHE A 2 4.015 14.150 -9.170 1.00 0.00 C ATOM 27 CZ PHE A 2 4.564 15.417 -9.233 1.00 0.00 C ATOM 0 H PHE A 2 4.672 13.524 -5.627 1.00 0.00 H new ATOM 0 HA PHE A 2 2.904 15.183 -4.013 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.838 13.256 -6.001 1.00 0.00 H new ATOM 0 HB3 PHE A 2 1.419 14.934 -5.715 1.00 0.00 H new ATOM 0 HD1 PHE A 2 3.476 16.621 -6.282 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.849 12.781 -8.023 1.00 0.00 H new ATOM 0 HE1 PHE A 2 4.799 17.293 -8.240 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.165 13.455 -9.983 1.00 0.00 H new ATOM 0 HZ PHE A 2 5.144 15.713 -10.095 1.00 0.00 H new ATOM 37 N ARG A 3 1.310 13.218 -3.079 1.00 0.00 N ATOM 38 CA ARG A 3 0.804 12.170 -2.197 1.00 0.00 C ATOM 39 C ARG A 3 -0.711 11.971 -2.307 1.00 0.00 C ATOM 40 O ARG A 3 -1.493 12.901 -2.111 1.00 0.00 O ATOM 41 CB ARG A 3 1.199 12.438 -0.736 1.00 0.00 C ATOM 42 CG ARG A 3 1.988 11.294 -0.122 1.00 0.00 C ATOM 43 CD ARG A 3 3.465 11.627 0.019 1.00 0.00 C ATOM 44 NE ARG A 3 3.934 11.463 1.392 1.00 0.00 N ATOM 45 CZ ARG A 3 3.761 12.373 2.349 1.00 0.00 C ATOM 46 NH1 ARG A 3 3.130 13.510 2.088 1.00 0.00 N ATOM 47 NH2 ARG A 3 4.221 12.143 3.572 1.00 0.00 N ATOM 0 H ARG A 3 0.670 13.993 -3.253 1.00 0.00 H new ATOM 0 HA ARG A 3 1.272 11.244 -2.531 1.00 0.00 H new ATOM 0 HB2 ARG A 3 1.792 13.351 -0.686 1.00 0.00 H new ATOM 0 HB3 ARG A 3 0.299 12.610 -0.146 1.00 0.00 H new ATOM 0 HG2 ARG A 3 1.576 11.055 0.858 1.00 0.00 H new ATOM 0 HG3 ARG A 3 1.875 10.404 -0.741 1.00 0.00 H new ATOM 0 HD2 ARG A 3 4.046 10.984 -0.642 1.00 0.00 H new ATOM 0 HD3 ARG A 3 3.637 12.654 -0.303 1.00 0.00 H new ATOM 0 HE ARG A 3 4.423 10.601 1.632 1.00 0.00 H new ATOM 0 HH11 ARG A 3 2.774 13.692 1.150 1.00 0.00 H new ATOM 0 HH12 ARG A 3 3.001 14.203 2.826 1.00 0.00 H new ATOM 0 HH21 ARG A 3 4.707 11.270 3.778 1.00 0.00 H new ATOM 0 HH22 ARG A 3 4.089 12.839 4.306 1.00 0.00 H new ATOM 61 N SER A 4 -1.102 10.727 -2.595 1.00 0.00 N ATOM 62 CA SER A 4 -2.501 10.331 -2.711 1.00 0.00 C ATOM 63 C SER A 4 -2.825 9.342 -1.600 1.00 0.00 C ATOM 64 O SER A 4 -1.916 8.793 -0.978 1.00 0.00 O ATOM 65 CB SER A 4 -2.759 9.679 -4.078 1.00 0.00 C ATOM 66 OG SER A 4 -3.737 8.656 -3.986 1.00 0.00 O ATOM 0 H SER A 4 -0.447 9.962 -2.755 1.00 0.00 H new ATOM 0 HA SER A 4 -3.136 11.212 -2.623 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.089 10.437 -4.788 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.829 9.262 -4.466 1.00 0.00 H new ATOM 0 HG SER A 4 -4.483 8.862 -4.587 1.00 0.00 H new ATOM 72 N THR A 5 -4.106 9.101 -1.344 1.00 0.00 N ATOM 73 CA THR A 5 -4.474 8.160 -0.293 1.00 0.00 C ATOM 74 C THR A 5 -5.746 7.383 -0.618 1.00 0.00 C ATOM 75 O THR A 5 -6.796 7.968 -0.886 1.00 0.00 O ATOM 76 CB THR A 5 -4.632 8.877 1.055 1.00 0.00 C ATOM 77 OG1 THR A 5 -5.808 9.666 1.064 1.00 0.00 O ATOM 78 CG2 THR A 5 -3.472 9.785 1.424 1.00 0.00 C ATOM 0 H THR A 5 -4.889 9.532 -1.835 1.00 0.00 H new ATOM 0 HA THR A 5 -3.658 7.441 -0.227 1.00 0.00 H new ATOM 0 HB THR A 5 -4.675 8.073 1.790 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.401 9.378 0.339 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.667 10.250 2.390 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.555 9.198 1.482 1.00 0.00 H new ATOM 0 HG23 THR A 5 -3.360 10.559 0.665 1.00 0.00 H new ATOM 86 N SER A 6 -5.644 6.056 -0.566 1.00 0.00 N ATOM 87 CA SER A 6 -6.790 5.185 -0.827 1.00 0.00 C ATOM 88 C SER A 6 -7.272 4.529 0.470 1.00 0.00 C ATOM 89 O SER A 6 -6.481 3.946 1.210 1.00 0.00 O ATOM 90 CB SER A 6 -6.421 4.110 -1.851 1.00 0.00 C ATOM 91 OG SER A 6 -7.562 3.365 -2.242 1.00 0.00 O ATOM 0 H SER A 6 -4.780 5.560 -0.346 1.00 0.00 H new ATOM 0 HA SER A 6 -7.598 5.795 -1.232 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.970 4.577 -2.727 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.673 3.440 -1.426 1.00 0.00 H new ATOM 0 HG SER A 6 -7.524 3.190 -3.206 1.00 0.00 H new ATOM 97 N HIS A 7 -8.573 4.634 0.743 1.00 0.00 N ATOM 98 CA HIS A 7 -9.155 4.054 1.959 1.00 0.00 C ATOM 99 C HIS A 7 -10.126 2.919 1.622 1.00 0.00 C ATOM 100 O HIS A 7 -11.008 3.077 0.779 1.00 0.00 O ATOM 101 CB HIS A 7 -9.880 5.137 2.766 1.00 0.00 C ATOM 102 CG HIS A 7 -10.033 4.813 4.221 1.00 0.00 C ATOM 103 ND1 HIS A 7 -10.133 3.624 4.864 1.00 0.00 N flip ATOM 104 CD2 HIS A 7 -10.107 5.781 5.202 1.00 0.00 C flip ATOM 105 CE1 HIS A 7 -10.262 3.895 6.204 1.00 0.00 C flip ATOM 106 NE2 HIS A 7 -10.243 5.202 6.382 1.00 0.00 N flip ATOM 0 H HIS A 7 -9.244 5.113 0.142 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.342 3.642 2.557 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -9.334 6.075 2.669 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -10.868 5.297 2.334 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -10.061 6.846 5.032 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -10.363 3.157 6.986 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -10.320 5.684 7.278 1.00 0.00 H new ATOM 115 N VAL A 8 -9.954 1.771 2.283 1.00 0.00 N ATOM 116 CA VAL A 8 -10.814 0.611 2.048 1.00 0.00 C ATOM 117 C VAL A 8 -11.143 -0.100 3.356 1.00 0.00 C ATOM 118 O VAL A 8 -10.363 -0.045 4.308 1.00 0.00 O ATOM 119 CB VAL A 8 -10.149 -0.403 1.092 1.00 0.00 C ATOM 120 CG1 VAL A 8 -11.191 -1.305 0.446 1.00 0.00 C ATOM 121 CG2 VAL A 8 -9.323 0.311 0.031 1.00 0.00 C ATOM 0 H VAL A 8 -9.228 1.621 2.984 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.730 0.988 1.592 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.478 -1.028 1.681 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.697 -2.010 -0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.727 -1.854 1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.895 -0.698 -0.123 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.865 -0.425 -0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.968 0.969 -0.551 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.543 0.901 0.513 1.00 0.00 H new ATOM 131 N ARG A 9 -12.285 -0.789 3.405 1.00 0.00 N ATOM 132 CA ARG A 9 -12.654 -1.520 4.617 1.00 0.00 C ATOM 133 C ARG A 9 -12.305 -3.003 4.470 1.00 0.00 C ATOM 134 O ARG A 9 -12.973 -3.740 3.745 1.00 0.00 O ATOM 135 CB ARG A 9 -14.145 -1.357 4.934 1.00 0.00 C ATOM 136 CG ARG A 9 -14.440 -0.156 5.817 1.00 0.00 C ATOM 137 CD ARG A 9 -14.144 1.150 5.100 1.00 0.00 C ATOM 138 NE ARG A 9 -14.775 1.207 3.783 1.00 0.00 N ATOM 139 CZ ARG A 9 -14.464 2.106 2.850 1.00 0.00 C ATOM 140 NH1 ARG A 9 -13.533 3.021 3.084 1.00 0.00 N ATOM 141 NH2 ARG A 9 -15.086 2.086 1.679 1.00 0.00 N ATOM 0 H ARG A 9 -12.955 -0.856 2.639 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.085 -1.101 5.447 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.700 -1.259 4.001 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.506 -2.260 5.427 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.486 -0.176 6.122 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.842 -0.216 6.726 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.496 1.984 5.707 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.066 1.267 4.991 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.495 0.518 3.565 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.050 3.039 3.982 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.300 3.706 2.366 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -15.801 1.383 1.493 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -14.849 2.774 0.964 1.00 0.00 H new ATOM 155 N THR A 10 -11.246 -3.425 5.160 1.00 0.00 N ATOM 156 CA THR A 10 -10.787 -4.813 5.111 1.00 0.00 C ATOM 157 C THR A 10 -10.576 -5.387 6.515 1.00 0.00 C ATOM 158 O THR A 10 -10.347 -4.643 7.461 1.00 0.00 O ATOM 159 CB THR A 10 -9.501 -4.907 4.285 1.00 0.00 C ATOM 160 OG1 THR A 10 -9.652 -5.848 3.238 1.00 0.00 O ATOM 161 CG2 THR A 10 -8.288 -5.311 5.091 1.00 0.00 C ATOM 0 H THR A 10 -10.687 -2.822 5.763 1.00 0.00 H new ATOM 0 HA THR A 10 -11.562 -5.411 4.631 1.00 0.00 H new ATOM 0 HB THR A 10 -9.335 -3.901 3.900 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.827 -5.376 2.397 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.416 -5.356 4.438 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.114 -4.578 5.879 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.458 -6.291 5.538 1.00 0.00 H new ATOM 169 N GLU A 11 -10.627 -6.709 6.642 1.00 0.00 N ATOM 170 CA GLU A 11 -10.413 -7.356 7.939 1.00 0.00 C ATOM 171 C GLU A 11 -9.031 -8.017 8.018 1.00 0.00 C ATOM 172 O GLU A 11 -8.529 -8.544 7.024 1.00 0.00 O ATOM 173 CB GLU A 11 -11.506 -8.393 8.192 1.00 0.00 C ATOM 174 CG GLU A 11 -12.352 -8.079 9.410 1.00 0.00 C ATOM 175 CD GLU A 11 -13.839 -8.129 9.120 1.00 0.00 C ATOM 176 OE1 GLU A 11 -14.345 -7.209 8.444 1.00 0.00 O ATOM 177 OE2 GLU A 11 -14.499 -9.091 9.569 1.00 0.00 O ATOM 0 H GLU A 11 -10.813 -7.352 5.872 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.458 -6.586 8.709 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.151 -8.454 7.315 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.046 -9.373 8.319 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.117 -8.789 10.203 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.092 -7.088 9.782 1.00 0.00 H new ATOM 184 N SER A 12 -8.422 -7.990 9.211 1.00 0.00 N ATOM 185 CA SER A 12 -7.104 -8.590 9.424 1.00 0.00 C ATOM 186 C SER A 12 -6.046 -7.944 8.537 1.00 0.00 C ATOM 187 O SER A 12 -5.025 -8.554 8.219 1.00 0.00 O ATOM 188 CB SER A 12 -7.159 -10.093 9.168 1.00 0.00 C ATOM 189 OG SER A 12 -5.865 -10.669 9.217 1.00 0.00 O ATOM 0 H SER A 12 -8.824 -7.558 10.043 1.00 0.00 H new ATOM 0 HA SER A 12 -6.823 -8.414 10.462 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.800 -10.568 9.911 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.607 -10.282 8.193 1.00 0.00 H new ATOM 0 HG SER A 12 -5.283 -10.222 8.568 1.00 0.00 H new ATOM 195 N ALA A 13 -6.301 -6.705 8.148 1.00 0.00 N ATOM 196 CA ALA A 13 -5.375 -5.951 7.294 1.00 0.00 C ATOM 197 C ALA A 13 -3.939 -5.965 7.817 1.00 0.00 C ATOM 198 O ALA A 13 -3.006 -6.305 7.090 1.00 0.00 O ATOM 199 CB ALA A 13 -5.842 -4.517 7.166 1.00 0.00 C ATOM 0 H ALA A 13 -7.143 -6.192 8.407 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.375 -6.443 6.321 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.150 -3.964 6.531 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.837 -4.497 6.722 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.876 -4.056 8.153 1.00 0.00 H new ATOM 205 N ALA A 14 -3.769 -5.549 9.066 1.00 0.00 N ATOM 206 CA ALA A 14 -2.441 -5.459 9.691 1.00 0.00 C ATOM 207 C ALA A 14 -1.528 -6.651 9.378 1.00 0.00 C ATOM 208 O ALA A 14 -0.306 -6.531 9.462 1.00 0.00 O ATOM 209 CB ALA A 14 -2.595 -5.290 11.192 1.00 0.00 C ATOM 0 H ALA A 14 -4.536 -5.265 9.676 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.950 -4.587 9.260 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.610 -5.223 11.654 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.155 -4.379 11.400 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.130 -6.147 11.602 1.00 0.00 H new ATOM 215 N ARG A 15 -2.106 -7.795 9.032 1.00 0.00 N ATOM 216 CA ARG A 15 -1.308 -8.982 8.732 1.00 0.00 C ATOM 217 C ARG A 15 -0.704 -8.934 7.341 1.00 0.00 C ATOM 218 O ARG A 15 0.465 -9.274 7.160 1.00 0.00 O ATOM 219 CB ARG A 15 -2.157 -10.243 8.865 1.00 0.00 C ATOM 220 CG ARG A 15 -1.375 -11.486 9.265 1.00 0.00 C ATOM 221 CD ARG A 15 0.038 -11.507 8.689 1.00 0.00 C ATOM 222 NE ARG A 15 0.839 -12.588 9.262 1.00 0.00 N ATOM 223 CZ ARG A 15 1.536 -12.479 10.393 1.00 0.00 C ATOM 224 NH1 ARG A 15 1.525 -11.345 11.083 1.00 0.00 N ATOM 225 NH2 ARG A 15 2.240 -13.510 10.837 1.00 0.00 N ATOM 0 H ARG A 15 -3.114 -7.928 8.952 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.492 -9.002 9.455 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.937 -10.065 9.605 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.656 -10.432 7.915 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.320 -11.541 10.352 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.913 -12.372 8.928 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.012 -11.625 7.607 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.525 -10.551 8.883 1.00 0.00 H new ATOM 0 HE ARG A 15 0.866 -13.479 8.766 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.981 -10.550 10.749 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.061 -11.269 11.948 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.248 -14.385 10.314 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.774 -13.428 11.702 1.00 0.00 H new ATOM 239 N TYR A 16 -1.481 -8.514 6.355 1.00 0.00 N ATOM 240 CA TYR A 16 -0.956 -8.448 5.005 1.00 0.00 C ATOM 241 C TYR A 16 0.163 -7.424 4.957 1.00 0.00 C ATOM 242 O TYR A 16 1.192 -7.655 4.331 1.00 0.00 O ATOM 243 CB TYR A 16 -2.055 -8.133 3.975 1.00 0.00 C ATOM 244 CG TYR A 16 -3.266 -9.055 4.030 1.00 0.00 C ATOM 245 CD1 TYR A 16 -3.165 -10.394 4.420 1.00 0.00 C ATOM 246 CD2 TYR A 16 -4.525 -8.574 3.691 1.00 0.00 C ATOM 247 CE1 TYR A 16 -4.280 -11.209 4.467 1.00 0.00 C ATOM 248 CE2 TYR A 16 -5.641 -9.386 3.737 1.00 0.00 C ATOM 249 CZ TYR A 16 -5.514 -10.701 4.127 1.00 0.00 C ATOM 250 OH TYR A 16 -6.625 -11.511 4.173 1.00 0.00 O ATOM 0 H TYR A 16 -2.452 -8.221 6.461 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.558 -9.426 4.735 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -2.390 -7.107 4.125 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.622 -8.184 2.976 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.200 -10.798 4.689 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.633 -7.544 3.385 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.184 -12.241 4.769 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.610 -8.992 3.468 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.415 -10.998 3.904 1.00 0.00 H new ATOM 260 N VAL A 17 -0.009 -6.314 5.672 1.00 0.00 N ATOM 261 CA VAL A 17 1.040 -5.296 5.725 1.00 0.00 C ATOM 262 C VAL A 17 2.312 -5.927 6.264 1.00 0.00 C ATOM 263 O VAL A 17 3.401 -5.718 5.729 1.00 0.00 O ATOM 264 CB VAL A 17 0.643 -4.064 6.583 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.865 -3.334 7.139 1.00 0.00 C ATOM 266 CG2 VAL A 17 -0.181 -3.103 5.758 1.00 0.00 C ATOM 0 H VAL A 17 -0.846 -6.098 6.213 1.00 0.00 H new ATOM 0 HA VAL A 17 1.197 -4.926 4.712 1.00 0.00 H new ATOM 0 HB VAL A 17 0.058 -4.432 7.426 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.540 -2.480 7.732 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.440 -4.014 7.767 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.488 -2.987 6.315 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.455 -2.242 6.368 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.401 -2.769 4.899 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.085 -3.604 5.411 1.00 0.00 H new ATOM 276 N ASN A 18 2.162 -6.716 7.321 1.00 0.00 N ATOM 277 CA ASN A 18 3.296 -7.393 7.921 1.00 0.00 C ATOM 278 C ASN A 18 3.789 -8.538 7.036 1.00 0.00 C ATOM 279 O ASN A 18 4.976 -8.854 7.037 1.00 0.00 O ATOM 280 CB ASN A 18 2.926 -7.925 9.307 1.00 0.00 C ATOM 281 CG ASN A 18 2.361 -6.845 10.209 1.00 0.00 C ATOM 282 OD1 ASN A 18 2.661 -5.663 10.045 1.00 0.00 O ATOM 283 ND2 ASN A 18 1.539 -7.248 11.171 1.00 0.00 N ATOM 0 H ASN A 18 1.268 -6.900 7.776 1.00 0.00 H new ATOM 0 HA ASN A 18 4.103 -6.668 8.021 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.195 -8.726 9.202 1.00 0.00 H new ATOM 0 HB3 ASN A 18 3.810 -8.359 9.774 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.129 -6.567 11.810 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.317 -8.239 11.271 1.00 0.00 H new ATOM 290 N ARG A 19 2.877 -9.177 6.293 1.00 0.00 N ATOM 291 CA ARG A 19 3.255 -10.296 5.436 1.00 0.00 C ATOM 292 C ARG A 19 3.817 -9.847 4.085 1.00 0.00 C ATOM 293 O ARG A 19 4.519 -10.610 3.423 1.00 0.00 O ATOM 294 CB ARG A 19 2.052 -11.211 5.216 1.00 0.00 C ATOM 295 CG ARG A 19 2.401 -12.685 5.298 1.00 0.00 C ATOM 296 CD ARG A 19 1.670 -13.373 6.436 1.00 0.00 C ATOM 297 NE ARG A 19 1.731 -14.829 6.322 1.00 0.00 N ATOM 298 CZ ARG A 19 0.788 -15.654 6.778 1.00 0.00 C ATOM 299 NH1 ARG A 19 -0.294 -15.175 7.380 1.00 0.00 N ATOM 300 NH2 ARG A 19 0.929 -16.964 6.629 1.00 0.00 N ATOM 0 H ARG A 19 1.885 -8.939 6.271 1.00 0.00 H new ATOM 0 HA ARG A 19 4.050 -10.836 5.950 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.289 -10.983 5.960 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.617 -11.001 4.239 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.148 -13.172 4.356 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.476 -12.797 5.436 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.106 -13.065 7.386 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.628 -13.053 6.444 1.00 0.00 H new ATOM 0 HE ARG A 19 2.546 -15.239 5.865 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.409 -14.168 7.497 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.010 -15.814 7.726 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.757 -17.338 6.166 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.209 -17.597 6.977 1.00 0.00 H new ATOM 314 N LEU A 20 3.505 -8.625 3.669 1.00 0.00 N ATOM 315 CA LEU A 20 3.982 -8.116 2.387 1.00 0.00 C ATOM 316 C LEU A 20 5.488 -7.882 2.402 1.00 0.00 C ATOM 317 O LEU A 20 6.193 -8.288 1.478 1.00 0.00 O ATOM 318 CB LEU A 20 3.262 -6.818 2.023 1.00 0.00 C ATOM 319 CG LEU A 20 1.748 -6.935 1.816 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.225 -5.700 1.096 1.00 0.00 C ATOM 321 CD2 LEU A 20 1.379 -8.195 1.033 1.00 0.00 C ATOM 0 H LEU A 20 2.927 -7.971 4.197 1.00 0.00 H new ATOM 0 HA LEU A 20 3.762 -8.873 1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.447 -6.088 2.811 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.706 -6.421 1.110 1.00 0.00 H new ATOM 0 HG LEU A 20 1.282 -7.008 2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.148 -5.791 0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.438 -4.813 1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.714 -5.610 0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.297 -8.241 0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.857 -8.168 0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.719 -9.075 1.579 1.00 0.00 H new ATOM 333 N CYS A 21 5.980 -7.231 3.449 1.00 0.00 N ATOM 334 CA CYS A 21 7.409 -6.956 3.562 1.00 0.00 C ATOM 335 C CYS A 21 8.206 -8.250 3.464 1.00 0.00 C ATOM 336 O CYS A 21 9.241 -8.312 2.805 1.00 0.00 O ATOM 337 CB CYS A 21 7.718 -6.250 4.883 1.00 0.00 C ATOM 338 SG CYS A 21 7.260 -7.201 6.350 1.00 0.00 S ATOM 0 H CYS A 21 5.417 -6.886 4.226 1.00 0.00 H new ATOM 0 HA CYS A 21 7.698 -6.300 2.741 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.785 -6.029 4.924 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.194 -5.295 4.904 1.00 0.00 H new ATOM 0 HG CYS A 21 6.074 -7.708 6.186 1.00 0.00 H new ATOM 344 N LYS A 22 7.700 -9.289 4.110 1.00 0.00 N ATOM 345 CA LYS A 22 8.348 -10.592 4.087 1.00 0.00 C ATOM 346 C LYS A 22 8.088 -11.291 2.754 1.00 0.00 C ATOM 347 O LYS A 22 8.810 -12.212 2.371 1.00 0.00 O ATOM 348 CB LYS A 22 7.844 -11.457 5.242 1.00 0.00 C ATOM 349 CG LYS A 22 8.103 -10.856 6.618 1.00 0.00 C ATOM 350 CD LYS A 22 6.895 -11.013 7.525 1.00 0.00 C ATOM 351 CE LYS A 22 6.739 -12.447 7.991 1.00 0.00 C ATOM 352 NZ LYS A 22 7.757 -12.815 9.013 1.00 0.00 N ATOM 0 H LYS A 22 6.840 -9.255 4.658 1.00 0.00 H new ATOM 0 HA LYS A 22 9.422 -10.446 4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.773 -11.619 5.122 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.322 -12.435 5.187 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.967 -11.341 7.072 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.348 -9.799 6.515 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.999 -10.357 8.389 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.996 -10.701 6.994 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.741 -12.587 8.407 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.825 -13.117 7.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.497 -13.722 9.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.688 -12.904 8.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.798 -12.076 9.744 1.00 0.00 H new ATOM 366 N HIS A 23 7.041 -10.851 2.058 1.00 0.00 N ATOM 367 CA HIS A 23 6.667 -11.434 0.775 1.00 0.00 C ATOM 368 C HIS A 23 7.454 -10.824 -0.383 1.00 0.00 C ATOM 369 O HIS A 23 8.211 -11.521 -1.059 1.00 0.00 O ATOM 370 CB HIS A 23 5.168 -11.259 0.527 1.00 0.00 C ATOM 371 CG HIS A 23 4.638 -12.127 -0.573 1.00 0.00 C ATOM 372 ND1 HIS A 23 4.860 -11.869 -1.909 1.00 0.00 N ATOM 373 CD2 HIS A 23 3.892 -13.257 -0.528 1.00 0.00 C ATOM 374 CE1 HIS A 23 4.274 -12.802 -2.638 1.00 0.00 C ATOM 375 NE2 HIS A 23 3.681 -13.656 -1.825 1.00 0.00 N ATOM 0 H HIS A 23 6.436 -10.089 2.365 1.00 0.00 H new ATOM 0 HA HIS A 23 6.909 -12.496 0.822 1.00 0.00 H new ATOM 0 HB2 HIS A 23 4.627 -11.482 1.447 1.00 0.00 H new ATOM 0 HB3 HIS A 23 4.968 -10.216 0.284 1.00 0.00 H new ATOM 0 HD1 HIS A 23 5.393 -11.081 -2.277 1.00 0.00 H new ATOM 0 HD2 HIS A 23 3.531 -13.752 0.362 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.279 -12.857 -3.717 1.00 0.00 H new ATOM 384 N TRP A 24 7.263 -9.527 -0.624 1.00 0.00 N ATOM 385 CA TRP A 24 7.952 -8.857 -1.720 1.00 0.00 C ATOM 386 C TRP A 24 9.365 -8.423 -1.319 1.00 0.00 C ATOM 387 O TRP A 24 10.146 -7.996 -2.169 1.00 0.00 O ATOM 388 CB TRP A 24 7.144 -7.648 -2.189 1.00 0.00 C ATOM 389 CG TRP A 24 5.818 -8.016 -2.781 1.00 0.00 C ATOM 390 CD1 TRP A 24 4.596 -7.517 -2.430 1.00 0.00 C ATOM 391 CD2 TRP A 24 5.579 -8.962 -3.830 1.00 0.00 C ATOM 392 NE1 TRP A 24 3.613 -8.096 -3.195 1.00 0.00 N ATOM 393 CE2 TRP A 24 4.192 -8.986 -4.062 1.00 0.00 C ATOM 394 CE3 TRP A 24 6.405 -9.791 -4.595 1.00 0.00 C ATOM 395 CZ2 TRP A 24 3.611 -9.806 -5.026 1.00 0.00 C ATOM 396 CZ3 TRP A 24 5.828 -10.604 -5.553 1.00 0.00 C ATOM 397 CH2 TRP A 24 4.443 -10.607 -5.761 1.00 0.00 C ATOM 0 H TRP A 24 6.643 -8.927 -0.080 1.00 0.00 H new ATOM 0 HA TRP A 24 8.043 -9.570 -2.539 1.00 0.00 H new ATOM 0 HB2 TRP A 24 6.984 -6.977 -1.345 1.00 0.00 H new ATOM 0 HB3 TRP A 24 7.724 -7.097 -2.929 1.00 0.00 H new ATOM 0 HD1 TRP A 24 4.427 -6.776 -1.663 1.00 0.00 H new ATOM 0 HE1 TRP A 24 2.615 -7.896 -3.129 1.00 0.00 H new ATOM 0 HE3 TRP A 24 7.474 -9.796 -4.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 2.543 -9.810 -5.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 6.456 -11.248 -6.151 1.00 0.00 H new ATOM 0 HH2 TRP A 24 4.023 -11.254 -6.517 1.00 0.00 H new ATOM 408 N GLY A 25 9.696 -8.528 -0.027 1.00 0.00 N ATOM 409 CA GLY A 25 11.018 -8.134 0.426 1.00 0.00 C ATOM 410 C GLY A 25 12.109 -9.069 -0.056 1.00 0.00 C ATOM 411 O GLY A 25 12.769 -9.729 0.746 1.00 0.00 O ATOM 0 H GLY A 25 9.075 -8.876 0.704 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.231 -7.124 0.075 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.029 -8.102 1.515 1.00 0.00 H new ATOM 415 N HIS A 26 12.304 -9.118 -1.367 1.00 0.00 N ATOM 416 CA HIS A 26 13.330 -9.967 -1.958 1.00 0.00 C ATOM 417 C HIS A 26 14.462 -9.117 -2.523 1.00 0.00 C ATOM 418 O HIS A 26 15.616 -9.545 -2.560 1.00 0.00 O ATOM 419 CB HIS A 26 12.730 -10.843 -3.060 1.00 0.00 C ATOM 420 CG HIS A 26 13.271 -12.239 -3.075 1.00 0.00 C ATOM 421 ND1 HIS A 26 12.468 -13.358 -3.135 1.00 0.00 N ATOM 422 CD2 HIS A 26 14.546 -12.695 -3.036 1.00 0.00 C ATOM 423 CE1 HIS A 26 13.225 -14.441 -3.133 1.00 0.00 C ATOM 424 NE2 HIS A 26 14.489 -14.065 -3.074 1.00 0.00 N ATOM 0 H HIS A 26 11.764 -8.578 -2.043 1.00 0.00 H new ATOM 0 HA HIS A 26 13.732 -10.613 -1.178 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.648 -10.883 -2.933 1.00 0.00 H new ATOM 0 HB3 HIS A 26 12.921 -10.378 -4.027 1.00 0.00 H new ATOM 0 HD2 HIS A 26 15.441 -12.092 -2.985 1.00 0.00 H new ATOM 0 HE1 HIS A 26 12.870 -15.460 -3.173 1.00 0.00 H new ATOM 0 HE2 HIS A 26 15.293 -14.692 -3.059 1.00 0.00 H new ATOM 433 N LYS A 27 14.122 -7.909 -2.963 1.00 0.00 N ATOM 434 CA LYS A 27 15.109 -6.992 -3.528 1.00 0.00 C ATOM 435 C LYS A 27 14.647 -5.547 -3.346 1.00 0.00 C ATOM 436 O LYS A 27 14.958 -4.672 -4.153 1.00 0.00 O ATOM 437 CB LYS A 27 15.315 -7.311 -5.017 1.00 0.00 C ATOM 438 CG LYS A 27 16.209 -6.327 -5.765 1.00 0.00 C ATOM 439 CD LYS A 27 15.407 -5.470 -6.733 1.00 0.00 C ATOM 440 CE LYS A 27 15.199 -6.176 -8.065 1.00 0.00 C ATOM 441 NZ LYS A 27 15.703 -5.365 -9.208 1.00 0.00 N ATOM 0 H LYS A 27 13.171 -7.542 -2.940 1.00 0.00 H new ATOM 0 HA LYS A 27 16.058 -7.116 -3.007 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.745 -8.309 -5.104 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.341 -7.339 -5.506 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.724 -5.685 -5.050 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.977 -6.874 -6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.439 -5.231 -6.292 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.925 -4.525 -6.898 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.710 -7.139 -8.049 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.138 -6.381 -8.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.543 -5.881 -10.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.198 -4.457 -9.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.721 -5.191 -9.088 1.00 0.00 H new ATOM 455 N PHE A 28 13.896 -5.306 -2.274 1.00 0.00 N ATOM 456 CA PHE A 28 13.387 -3.975 -1.987 1.00 0.00 C ATOM 457 C PHE A 28 13.457 -3.675 -0.495 1.00 0.00 C ATOM 458 O PHE A 28 13.325 -4.574 0.335 1.00 0.00 O ATOM 459 CB PHE A 28 11.939 -3.848 -2.463 1.00 0.00 C ATOM 460 CG PHE A 28 11.806 -3.358 -3.875 1.00 0.00 C ATOM 461 CD1 PHE A 28 11.927 -4.235 -4.941 1.00 0.00 C ATOM 462 CD2 PHE A 28 11.553 -2.022 -4.136 1.00 0.00 C ATOM 463 CE1 PHE A 28 11.797 -3.787 -6.241 1.00 0.00 C ATOM 464 CE2 PHE A 28 11.422 -1.569 -5.433 1.00 0.00 C ATOM 465 CZ PHE A 28 11.543 -2.452 -6.488 1.00 0.00 C ATOM 0 H PHE A 28 13.629 -6.017 -1.593 1.00 0.00 H new ATOM 0 HA PHE A 28 14.010 -3.256 -2.519 1.00 0.00 H new ATOM 0 HB2 PHE A 28 11.452 -4.819 -2.378 1.00 0.00 H new ATOM 0 HB3 PHE A 28 11.407 -3.166 -1.800 1.00 0.00 H new ATOM 0 HD1 PHE A 28 12.125 -5.280 -4.753 1.00 0.00 H new ATOM 0 HD2 PHE A 28 11.457 -1.327 -3.315 1.00 0.00 H new ATOM 0 HE1 PHE A 28 11.894 -4.480 -7.064 1.00 0.00 H new ATOM 0 HE2 PHE A 28 11.225 -0.524 -5.623 1.00 0.00 H new ATOM 0 HZ PHE A 28 11.439 -2.100 -7.504 1.00 0.00 H new ATOM 475 N GLU A 29 13.649 -2.405 -0.159 1.00 0.00 N ATOM 476 CA GLU A 29 13.713 -1.994 1.238 1.00 0.00 C ATOM 477 C GLU A 29 12.318 -2.024 1.849 1.00 0.00 C ATOM 478 O GLU A 29 11.577 -1.043 1.779 1.00 0.00 O ATOM 479 CB GLU A 29 14.315 -0.592 1.364 1.00 0.00 C ATOM 480 CG GLU A 29 13.855 0.373 0.285 1.00 0.00 C ATOM 481 CD GLU A 29 14.849 0.491 -0.853 1.00 0.00 C ATOM 482 OE1 GLU A 29 15.316 -0.557 -1.345 1.00 0.00 O ATOM 483 OE2 GLU A 29 15.158 1.633 -1.254 1.00 0.00 O ATOM 0 H GLU A 29 13.763 -1.646 -0.831 1.00 0.00 H new ATOM 0 HA GLU A 29 14.356 -2.690 1.777 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.055 -0.182 2.340 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.402 -0.669 1.330 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.895 0.041 -0.109 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.695 1.357 0.726 1.00 0.00 H new ATOM 490 N VAL A 30 11.957 -3.163 2.431 1.00 0.00 N ATOM 491 CA VAL A 30 10.639 -3.327 3.034 1.00 0.00 C ATOM 492 C VAL A 30 10.696 -3.278 4.557 1.00 0.00 C ATOM 493 O VAL A 30 11.282 -4.153 5.194 1.00 0.00 O ATOM 494 CB VAL A 30 9.976 -4.660 2.614 1.00 0.00 C ATOM 495 CG1 VAL A 30 9.199 -4.501 1.316 1.00 0.00 C ATOM 496 CG2 VAL A 30 11.011 -5.767 2.484 1.00 0.00 C ATOM 0 H VAL A 30 12.557 -3.985 2.498 1.00 0.00 H new ATOM 0 HA VAL A 30 10.042 -2.491 2.668 1.00 0.00 H new ATOM 0 HB VAL A 30 9.273 -4.940 3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.744 -5.454 1.045 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.419 -3.751 1.448 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.876 -4.184 0.523 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.518 -6.693 2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.747 -5.490 1.729 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.511 -5.912 3.442 1.00 0.00 H new ATOM 506 N GLU A 31 10.064 -2.260 5.139 1.00 0.00 N ATOM 507 CA GLU A 31 10.026 -2.115 6.588 1.00 0.00 C ATOM 508 C GLU A 31 8.734 -2.717 7.139 1.00 0.00 C ATOM 509 O GLU A 31 7.749 -2.853 6.415 1.00 0.00 O ATOM 510 CB GLU A 31 10.138 -0.640 6.983 1.00 0.00 C ATOM 511 CG GLU A 31 11.273 -0.358 7.954 1.00 0.00 C ATOM 512 CD GLU A 31 11.549 1.124 8.110 1.00 0.00 C ATOM 513 OE1 GLU A 31 10.597 1.923 7.991 1.00 0.00 O ATOM 514 OE2 GLU A 31 12.720 1.487 8.354 1.00 0.00 O ATOM 0 H GLU A 31 9.573 -1.526 4.628 1.00 0.00 H new ATOM 0 HA GLU A 31 10.874 -2.649 7.016 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.282 -0.041 6.084 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.198 -0.320 7.432 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.028 -0.783 8.927 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.177 -0.858 7.606 1.00 0.00 H new ATOM 521 N LEU A 32 8.746 -3.088 8.414 1.00 0.00 N ATOM 522 CA LEU A 32 7.570 -3.687 9.041 1.00 0.00 C ATOM 523 C LEU A 32 7.328 -3.116 10.432 1.00 0.00 C ATOM 524 O LEU A 32 8.061 -3.416 11.374 1.00 0.00 O ATOM 525 CB LEU A 32 7.738 -5.211 9.123 1.00 0.00 C ATOM 526 CG LEU A 32 6.461 -6.030 9.384 1.00 0.00 C ATOM 527 CD1 LEU A 32 6.823 -7.451 9.780 1.00 0.00 C ATOM 528 CD2 LEU A 32 5.602 -5.386 10.467 1.00 0.00 C ATOM 0 H LEU A 32 9.551 -2.986 9.032 1.00 0.00 H new ATOM 0 HA LEU A 32 6.703 -3.449 8.424 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.180 -5.556 8.188 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.454 -5.433 9.915 1.00 0.00 H new ATOM 0 HG LEU A 32 5.880 -6.052 8.462 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.912 -8.021 9.962 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.390 -7.920 8.975 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.427 -7.433 10.687 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.708 -5.988 10.628 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.171 -5.326 11.395 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.312 -4.383 10.153 1.00 0.00 H new ATOM 540 N THR A 33 6.275 -2.317 10.560 1.00 0.00 N ATOM 541 CA THR A 33 5.911 -1.733 11.842 1.00 0.00 C ATOM 542 C THR A 33 4.462 -2.080 12.142 1.00 0.00 C ATOM 543 O THR A 33 3.678 -2.313 11.223 1.00 0.00 O ATOM 544 CB THR A 33 6.095 -0.214 11.811 1.00 0.00 C ATOM 545 OG1 THR A 33 5.917 0.287 10.498 1.00 0.00 O ATOM 546 CG2 THR A 33 7.458 0.234 12.293 1.00 0.00 C ATOM 0 H THR A 33 5.658 -2.059 9.789 1.00 0.00 H new ATOM 0 HA THR A 33 6.557 -2.135 12.622 1.00 0.00 H new ATOM 0 HB THR A 33 5.339 0.182 12.490 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.221 -0.231 10.042 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.522 1.321 12.245 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.606 -0.093 13.322 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.230 -0.203 11.659 1.00 0.00 H new ATOM 554 N PRO A 34 4.073 -2.122 13.421 1.00 0.00 N ATOM 555 CA PRO A 34 2.701 -2.442 13.810 1.00 0.00 C ATOM 556 C PRO A 34 1.748 -1.309 13.468 1.00 0.00 C ATOM 557 O PRO A 34 0.998 -0.832 14.319 1.00 0.00 O ATOM 558 CB PRO A 34 2.777 -2.639 15.324 1.00 0.00 C ATOM 559 CG PRO A 34 4.231 -2.655 15.656 1.00 0.00 C ATOM 560 CD PRO A 34 4.915 -1.859 14.583 1.00 0.00 C ATOM 0 HA PRO A 34 2.322 -3.319 13.286 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.264 -1.834 15.850 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.297 -3.571 15.622 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.411 -2.219 16.639 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.612 -3.676 15.686 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.954 -0.797 14.826 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.942 -2.187 14.424 1.00 0.00 H new ATOM 568 N GLU A 35 1.799 -0.880 12.216 1.00 0.00 N ATOM 569 CA GLU A 35 0.969 0.209 11.740 1.00 0.00 C ATOM 570 C GLU A 35 0.935 0.246 10.216 1.00 0.00 C ATOM 571 O GLU A 35 -0.100 0.548 9.620 1.00 0.00 O ATOM 572 CB GLU A 35 1.508 1.541 12.272 1.00 0.00 C ATOM 573 CG GLU A 35 1.362 1.703 13.774 1.00 0.00 C ATOM 574 CD GLU A 35 1.467 3.148 14.218 1.00 0.00 C ATOM 575 OE1 GLU A 35 0.921 4.026 13.518 1.00 0.00 O ATOM 576 OE2 GLU A 35 2.096 3.402 15.267 1.00 0.00 O ATOM 0 H GLU A 35 2.415 -1.277 11.506 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.046 0.049 12.104 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.562 1.628 12.007 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.986 2.358 11.775 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.399 1.300 14.087 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.132 1.116 14.275 1.00 0.00 H new ATOM 583 N ARG A 36 2.071 -0.048 9.582 1.00 0.00 N ATOM 584 CA ARG A 36 2.145 -0.025 8.128 1.00 0.00 C ATOM 585 C ARG A 36 3.439 -0.621 7.604 1.00 0.00 C ATOM 586 O ARG A 36 4.391 -0.850 8.351 1.00 0.00 O ATOM 587 CB ARG A 36 2.030 1.411 7.617 1.00 0.00 C ATOM 588 CG ARG A 36 2.835 2.405 8.440 1.00 0.00 C ATOM 589 CD ARG A 36 2.498 3.840 8.079 1.00 0.00 C ATOM 590 NE ARG A 36 3.646 4.728 8.238 1.00 0.00 N ATOM 591 CZ ARG A 36 4.179 5.048 9.415 1.00 0.00 C ATOM 592 NH1 ARG A 36 3.672 4.554 10.537 1.00 0.00 N ATOM 593 NH2 ARG A 36 5.223 5.864 9.470 1.00 0.00 N ATOM 0 H ARG A 36 2.941 -0.302 10.050 1.00 0.00 H new ATOM 0 HA ARG A 36 1.316 -0.631 7.764 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.367 1.449 6.581 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.982 1.709 7.622 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.640 2.242 9.500 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.899 2.231 8.281 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.148 3.882 7.048 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.679 4.189 8.708 1.00 0.00 H new ATOM 0 HE ARG A 36 4.064 5.127 7.397 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.870 3.925 10.501 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.085 4.803 11.436 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.617 6.246 8.610 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.632 6.109 10.372 1.00 0.00 H new ATOM 607 N GLY A 37 3.463 -0.828 6.296 1.00 0.00 N ATOM 608 CA GLY A 37 4.638 -1.350 5.639 1.00 0.00 C ATOM 609 C GLY A 37 5.259 -0.288 4.743 1.00 0.00 C ATOM 610 O GLY A 37 4.537 0.505 4.142 1.00 0.00 O ATOM 0 H GLY A 37 2.678 -0.640 5.673 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.364 -1.677 6.383 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.373 -2.226 5.046 1.00 0.00 H new ATOM 614 N PHE A 38 6.583 -0.253 4.655 1.00 0.00 N ATOM 615 CA PHE A 38 7.266 0.739 3.832 1.00 0.00 C ATOM 616 C PHE A 38 8.056 0.041 2.739 1.00 0.00 C ATOM 617 O PHE A 38 9.027 -0.662 3.016 1.00 0.00 O ATOM 618 CB PHE A 38 8.184 1.578 4.720 1.00 0.00 C ATOM 619 CG PHE A 38 8.937 2.676 4.013 1.00 0.00 C ATOM 620 CD1 PHE A 38 8.286 3.828 3.588 1.00 0.00 C ATOM 621 CD2 PHE A 38 10.306 2.574 3.803 1.00 0.00 C ATOM 622 CE1 PHE A 38 8.984 4.848 2.972 1.00 0.00 C ATOM 623 CE2 PHE A 38 11.006 3.594 3.189 1.00 0.00 C ATOM 624 CZ PHE A 38 10.345 4.733 2.775 1.00 0.00 C ATOM 0 H PHE A 38 7.205 -0.898 5.142 1.00 0.00 H new ATOM 0 HA PHE A 38 6.538 1.397 3.358 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.585 2.024 5.514 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.905 0.915 5.198 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.222 3.927 3.741 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.830 1.686 4.124 1.00 0.00 H new ATOM 0 HE1 PHE A 38 8.464 5.736 2.644 1.00 0.00 H new ATOM 0 HE2 PHE A 38 12.071 3.501 3.033 1.00 0.00 H new ATOM 0 HZ PHE A 38 10.892 5.533 2.298 1.00 0.00 H new ATOM 634 N ILE A 39 7.641 0.243 1.496 1.00 0.00 N ATOM 635 CA ILE A 39 8.325 -0.374 0.363 1.00 0.00 C ATOM 636 C ILE A 39 8.669 0.693 -0.666 1.00 0.00 C ATOM 637 O ILE A 39 7.791 1.163 -1.387 1.00 0.00 O ATOM 638 CB ILE A 39 7.470 -1.474 -0.324 1.00 0.00 C ATOM 639 CG1 ILE A 39 6.664 -2.293 0.709 1.00 0.00 C ATOM 640 CG2 ILE A 39 8.371 -2.388 -1.152 1.00 0.00 C ATOM 641 CD1 ILE A 39 6.196 -3.647 0.206 1.00 0.00 C ATOM 0 H ILE A 39 6.841 0.824 1.245 1.00 0.00 H new ATOM 0 HA ILE A 39 9.227 -0.847 0.753 1.00 0.00 H new ATOM 0 HB ILE A 39 6.752 -0.986 -0.984 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.279 -2.441 1.597 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.794 -1.712 1.017 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.766 -3.158 -1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.883 -1.801 -1.915 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.108 -2.859 -0.501 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.639 -4.155 0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.553 -3.510 -0.663 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.060 -4.250 -0.074 1.00 0.00 H new ATOM 704 N SER A 44 11.010 7.022 -5.274 1.00 0.00 N ATOM 705 CA SER A 44 9.580 6.813 -5.073 1.00 0.00 C ATOM 706 C SER A 44 9.368 5.862 -3.891 1.00 0.00 C ATOM 707 O SER A 44 10.325 5.247 -3.422 1.00 0.00 O ATOM 708 CB SER A 44 8.957 6.255 -6.359 1.00 0.00 C ATOM 709 OG SER A 44 9.954 5.963 -7.323 1.00 0.00 O ATOM 0 HA SER A 44 9.090 7.759 -4.843 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.392 5.352 -6.131 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.251 6.978 -6.768 1.00 0.00 H new ATOM 0 HG SER A 44 10.840 6.041 -6.911 1.00 0.00 H new ATOM 715 N ASN A 45 8.134 5.742 -3.388 1.00 0.00 N ATOM 716 CA ASN A 45 7.883 4.865 -2.247 1.00 0.00 C ATOM 717 C ASN A 45 6.443 4.370 -2.239 1.00 0.00 C ATOM 718 O ASN A 45 5.602 4.872 -2.985 1.00 0.00 O ATOM 719 CB ASN A 45 8.179 5.591 -0.927 1.00 0.00 C ATOM 720 CG ASN A 45 9.257 6.653 -1.060 1.00 0.00 C ATOM 721 OD1 ASN A 45 9.107 7.617 -1.809 1.00 0.00 O ATOM 722 ND2 ASN A 45 10.353 6.478 -0.330 1.00 0.00 N ATOM 0 H ASN A 45 7.313 6.230 -3.745 1.00 0.00 H new ATOM 0 HA ASN A 45 8.549 4.008 -2.343 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.263 6.055 -0.561 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.487 4.861 -0.179 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.112 7.158 -0.378 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.436 5.664 0.278 1.00 0.00 H new ATOM 729 N CYS A 46 6.158 3.391 -1.383 1.00 0.00 N ATOM 730 CA CYS A 46 4.813 2.847 -1.280 1.00 0.00 C ATOM 731 C CYS A 46 4.553 2.324 0.131 1.00 0.00 C ATOM 732 O CYS A 46 5.017 1.245 0.501 1.00 0.00 O ATOM 733 CB CYS A 46 4.588 1.731 -2.308 1.00 0.00 C ATOM 734 SG CYS A 46 5.921 1.513 -3.515 1.00 0.00 S ATOM 0 H CYS A 46 6.839 2.963 -0.756 1.00 0.00 H new ATOM 0 HA CYS A 46 4.110 3.652 -1.492 1.00 0.00 H new ATOM 0 HB2 CYS A 46 4.445 0.791 -1.775 1.00 0.00 H new ATOM 0 HB3 CYS A 46 3.662 1.936 -2.846 1.00 0.00 H new ATOM 0 HG CYS A 46 7.047 1.333 -2.890 1.00 0.00 H new ATOM 740 N GLU A 47 3.810 3.101 0.913 1.00 0.00 N ATOM 741 CA GLU A 47 3.484 2.732 2.287 1.00 0.00 C ATOM 742 C GLU A 47 2.071 2.154 2.352 1.00 0.00 C ATOM 743 O GLU A 47 1.239 2.446 1.493 1.00 0.00 O ATOM 744 CB GLU A 47 3.620 3.967 3.188 1.00 0.00 C ATOM 745 CG GLU A 47 4.096 3.688 4.612 1.00 0.00 C ATOM 746 CD GLU A 47 4.965 4.806 5.154 1.00 0.00 C ATOM 747 OE1 GLU A 47 4.741 5.973 4.768 1.00 0.00 O ATOM 748 OE2 GLU A 47 5.870 4.516 5.963 1.00 0.00 O ATOM 0 H GLU A 47 3.420 3.996 0.616 1.00 0.00 H new ATOM 0 HA GLU A 47 4.175 1.966 2.639 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.316 4.663 2.720 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.653 4.468 3.237 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.232 3.554 5.263 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.656 2.753 4.630 1.00 0.00 H new ATOM 755 N LEU A 48 1.801 1.320 3.355 1.00 0.00 N ATOM 756 CA LEU A 48 0.479 0.703 3.484 1.00 0.00 C ATOM 757 C LEU A 48 0.050 0.609 4.945 1.00 0.00 C ATOM 758 O LEU A 48 0.720 -0.028 5.756 1.00 0.00 O ATOM 759 CB LEU A 48 0.473 -0.696 2.827 1.00 0.00 C ATOM 760 CG LEU A 48 -0.842 -1.489 2.918 1.00 0.00 C ATOM 761 CD1 LEU A 48 -2.054 -0.578 2.796 1.00 0.00 C ATOM 762 CD2 LEU A 48 -0.887 -2.571 1.846 1.00 0.00 C ATOM 0 H LEU A 48 2.468 1.058 4.081 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.240 1.338 2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.730 -0.580 1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.263 -1.291 3.284 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.875 -1.960 3.900 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.965 -1.173 2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.039 0.157 3.601 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.028 -0.064 1.835 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.824 -3.122 1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.819 -2.110 0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.050 -3.256 1.985 1.00 0.00 H new ATOM 774 N LEU A 49 -1.087 1.226 5.267 1.00 0.00 N ATOM 775 CA LEU A 49 -1.618 1.189 6.631 1.00 0.00 C ATOM 776 C LEU A 49 -2.621 0.059 6.731 1.00 0.00 C ATOM 777 O LEU A 49 -3.471 -0.091 5.856 1.00 0.00 O ATOM 778 CB LEU A 49 -2.283 2.514 7.013 1.00 0.00 C ATOM 779 CG LEU A 49 -2.385 2.788 8.521 1.00 0.00 C ATOM 780 CD1 LEU A 49 -1.534 3.988 8.909 1.00 0.00 C ATOM 781 CD2 LEU A 49 -3.836 3.014 8.921 1.00 0.00 C ATOM 0 H LEU A 49 -1.656 1.755 4.606 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.792 1.026 7.324 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.725 3.328 6.550 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.287 2.533 6.588 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.008 1.915 9.054 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.621 4.164 9.981 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.492 3.792 8.657 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.879 4.869 8.367 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.892 3.207 9.992 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.234 3.870 8.377 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.422 2.127 8.681 1.00 0.00 H new ATOM 793 N ALA A 50 -2.507 -0.759 7.765 1.00 0.00 N ATOM 794 CA ALA A 50 -3.406 -1.889 7.899 1.00 0.00 C ATOM 795 C ALA A 50 -3.779 -2.198 9.342 1.00 0.00 C ATOM 796 O ALA A 50 -2.945 -2.630 10.136 1.00 0.00 O ATOM 797 CB ALA A 50 -2.779 -3.100 7.234 1.00 0.00 C ATOM 0 H ALA A 50 -1.815 -0.664 8.509 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.341 -1.626 7.404 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.448 -3.955 7.330 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.610 -2.888 6.178 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.828 -3.328 7.716 1.00 0.00 H new ATOM 803 N HIS A 51 -5.056 -2.008 9.654 1.00 0.00 N ATOM 804 CA HIS A 51 -5.580 -2.295 10.967 1.00 0.00 C ATOM 805 C HIS A 51 -6.545 -3.485 10.864 1.00 0.00 C ATOM 806 O HIS A 51 -6.976 -3.851 9.772 1.00 0.00 O ATOM 807 CB HIS A 51 -6.266 -1.054 11.561 1.00 0.00 C ATOM 808 CG HIS A 51 -5.913 -0.807 12.997 1.00 0.00 C ATOM 809 ND1 HIS A 51 -6.817 -0.327 13.923 1.00 0.00 N ATOM 810 CD2 HIS A 51 -4.748 -0.983 13.671 1.00 0.00 C ATOM 811 CE1 HIS A 51 -6.225 -0.216 15.098 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.971 -0.607 14.973 1.00 0.00 N ATOM 0 H HIS A 51 -5.750 -1.650 8.998 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.767 -2.559 11.643 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.991 -0.179 10.972 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.346 -1.169 11.475 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.819 -1.350 13.260 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.689 0.135 16.008 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.279 -0.627 15.722 1.00 0.00 H new ATOM 821 N PRO A 52 -6.873 -4.116 11.993 1.00 0.00 N ATOM 822 CA PRO A 52 -7.758 -5.288 12.043 1.00 0.00 C ATOM 823 C PRO A 52 -9.036 -5.158 11.214 1.00 0.00 C ATOM 824 O PRO A 52 -9.666 -6.168 10.896 1.00 0.00 O ATOM 825 CB PRO A 52 -8.092 -5.398 13.527 1.00 0.00 C ATOM 826 CG PRO A 52 -6.888 -4.851 14.209 1.00 0.00 C ATOM 827 CD PRO A 52 -6.383 -3.744 13.322 1.00 0.00 C ATOM 0 HA PRO A 52 -7.269 -6.163 11.615 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.986 -4.828 13.778 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.281 -6.431 13.818 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.137 -4.474 15.201 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.130 -5.622 14.342 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.768 -2.773 13.634 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.295 -3.677 13.344 1.00 0.00 H new ATOM 835 N ASP A 53 -9.440 -3.936 10.870 1.00 0.00 N ATOM 836 CA ASP A 53 -10.665 -3.761 10.092 1.00 0.00 C ATOM 837 C ASP A 53 -10.566 -2.667 9.032 1.00 0.00 C ATOM 838 O ASP A 53 -11.524 -2.451 8.288 1.00 0.00 O ATOM 839 CB ASP A 53 -11.852 -3.482 11.017 1.00 0.00 C ATOM 840 CG ASP A 53 -11.848 -4.365 12.251 1.00 0.00 C ATOM 841 OD1 ASP A 53 -12.102 -5.580 12.114 1.00 0.00 O ATOM 842 OD2 ASP A 53 -11.591 -3.840 13.355 1.00 0.00 O ATOM 0 H ASP A 53 -8.952 -3.073 11.110 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.818 -4.700 9.559 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.832 -2.436 11.323 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -12.781 -3.636 10.467 1.00 0.00 H new ATOM 847 N HIS A 54 -9.425 -1.997 8.919 1.00 0.00 N ATOM 848 CA HIS A 54 -9.287 -0.971 7.889 1.00 0.00 C ATOM 849 C HIS A 54 -7.871 -0.928 7.321 1.00 0.00 C ATOM 850 O HIS A 54 -6.920 -1.358 7.973 1.00 0.00 O ATOM 851 CB HIS A 54 -9.704 0.408 8.403 1.00 0.00 C ATOM 852 CG HIS A 54 -8.940 0.877 9.601 1.00 0.00 C ATOM 853 ND1 HIS A 54 -9.401 0.736 10.892 1.00 0.00 N ATOM 854 CD2 HIS A 54 -7.744 1.505 9.696 1.00 0.00 C ATOM 855 CE1 HIS A 54 -8.524 1.261 11.729 1.00 0.00 C ATOM 856 NE2 HIS A 54 -7.509 1.732 11.029 1.00 0.00 N ATOM 0 H HIS A 54 -8.604 -2.138 9.508 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.964 -1.245 7.080 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.579 1.135 7.600 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.765 0.385 8.650 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -7.096 1.777 8.876 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -8.621 1.298 12.804 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -6.684 2.190 11.416 1.00 0.00 H new ATOM 865 N VAL A 55 -7.735 -0.411 6.098 1.00 0.00 N ATOM 866 CA VAL A 55 -6.440 -0.321 5.449 1.00 0.00 C ATOM 867 C VAL A 55 -6.304 1.000 4.700 1.00 0.00 C ATOM 868 O VAL A 55 -7.236 1.449 4.032 1.00 0.00 O ATOM 869 CB VAL A 55 -6.221 -1.507 4.477 1.00 0.00 C ATOM 870 CG1 VAL A 55 -6.746 -1.197 3.080 1.00 0.00 C ATOM 871 CG2 VAL A 55 -4.755 -1.904 4.424 1.00 0.00 C ATOM 0 H VAL A 55 -8.511 -0.050 5.543 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.676 -0.366 6.225 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.792 -2.351 4.863 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.574 -2.053 2.428 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.815 -0.989 3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.226 -0.327 2.681 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.629 -2.739 3.734 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.161 -1.057 4.081 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.422 -2.201 5.418 1.00 0.00 H new ATOM 881 N LEU A 56 -5.136 1.611 4.811 1.00 0.00 N ATOM 882 CA LEU A 56 -4.868 2.880 4.139 1.00 0.00 C ATOM 883 C LEU A 56 -3.703 2.711 3.176 1.00 0.00 C ATOM 884 O LEU A 56 -2.759 1.976 3.454 1.00 0.00 O ATOM 885 CB LEU A 56 -4.550 3.986 5.164 1.00 0.00 C ATOM 886 CG LEU A 56 -5.577 5.118 5.285 1.00 0.00 C ATOM 887 CD1 LEU A 56 -5.164 6.091 6.381 1.00 0.00 C ATOM 888 CD2 LEU A 56 -5.746 5.859 3.964 1.00 0.00 C ATOM 0 H LEU A 56 -4.355 1.251 5.360 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.758 3.176 3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.436 3.522 6.144 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.586 4.425 4.905 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.536 4.671 5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.902 6.889 6.456 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.103 5.563 7.333 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.191 6.518 6.140 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.481 6.655 4.085 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.791 6.290 3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.087 5.163 3.198 1.00 0.00 H new ATOM 900 N MET A 57 -3.774 3.388 2.040 1.00 0.00 N ATOM 901 CA MET A 57 -2.718 3.291 1.043 1.00 0.00 C ATOM 902 C MET A 57 -2.172 4.671 0.692 1.00 0.00 C ATOM 903 O MET A 57 -2.877 5.496 0.116 1.00 0.00 O ATOM 904 CB MET A 57 -3.250 2.575 -0.201 1.00 0.00 C ATOM 905 CG MET A 57 -4.152 1.399 0.143 1.00 0.00 C ATOM 906 SD MET A 57 -4.801 0.570 -1.322 1.00 0.00 S ATOM 907 CE MET A 57 -6.563 0.721 -1.041 1.00 0.00 C ATOM 0 H MET A 57 -4.545 4.006 1.786 1.00 0.00 H new ATOM 0 HA MET A 57 -1.893 2.710 1.456 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.803 3.285 -0.816 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.410 2.222 -0.799 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.594 0.682 0.744 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.983 1.750 0.755 1.00 0.00 H new ATOM 0 HE1 MET A 57 -7.097 0.538 -1.973 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.876 -0.008 -0.294 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.790 1.726 -0.684 1.00 0.00 H new ATOM 917 N ILE A 58 -0.908 4.918 1.045 1.00 0.00 N ATOM 918 CA ILE A 58 -0.275 6.192 0.769 1.00 0.00 C ATOM 919 C ILE A 58 1.012 5.984 -0.019 1.00 0.00 C ATOM 920 O ILE A 58 1.790 5.079 0.281 1.00 0.00 O ATOM 921 CB ILE A 58 0.059 6.950 2.072 1.00 0.00 C ATOM 922 CG1 ILE A 58 -1.189 7.077 2.966 1.00 0.00 C ATOM 923 CG2 ILE A 58 0.644 8.312 1.743 1.00 0.00 C ATOM 924 CD1 ILE A 58 -1.543 8.503 3.348 1.00 0.00 C ATOM 0 H ILE A 58 -0.309 4.245 1.523 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.980 6.784 0.185 1.00 0.00 H new ATOM 0 HB ILE A 58 0.804 6.383 2.630 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.038 6.630 2.449 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.030 6.499 3.876 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.877 8.841 2.667 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.555 8.185 1.158 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.079 8.889 1.167 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.433 8.501 3.977 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.713 8.950 3.895 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.737 9.084 2.446 1.00 0.00 H new ATOM 936 N LEU A 59 1.235 6.821 -1.024 1.00 0.00 N ATOM 937 CA LEU A 59 2.436 6.708 -1.838 1.00 0.00 C ATOM 938 C LEU A 59 3.245 7.990 -1.824 1.00 0.00 C ATOM 939 O LEU A 59 2.693 9.085 -1.796 1.00 0.00 O ATOM 940 CB LEU A 59 2.084 6.331 -3.287 1.00 0.00 C ATOM 941 CG LEU A 59 1.580 7.457 -4.205 1.00 0.00 C ATOM 942 CD1 LEU A 59 0.336 8.095 -3.628 1.00 0.00 C ATOM 943 CD2 LEU A 59 2.651 8.512 -4.457 1.00 0.00 C ATOM 0 H LEU A 59 0.606 7.578 -1.293 1.00 0.00 H new ATOM 0 HA LEU A 59 3.044 5.916 -1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.970 5.892 -3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.321 5.553 -3.258 1.00 0.00 H new ATOM 0 HG LEU A 59 1.334 7.006 -5.166 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.006 8.890 -4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.446 7.343 -3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.563 8.513 -2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.251 9.288 -5.110 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.954 8.957 -3.509 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.515 8.047 -4.932 1.00 0.00 H new ATOM 955 N ASN A 60 4.559 7.846 -1.897 1.00 0.00 N ATOM 956 CA ASN A 60 5.441 9.002 -1.952 1.00 0.00 C ATOM 957 C ASN A 60 6.260 8.920 -3.226 1.00 0.00 C ATOM 958 O ASN A 60 7.202 8.136 -3.318 1.00 0.00 O ATOM 959 CB ASN A 60 6.364 9.064 -0.729 1.00 0.00 C ATOM 960 CG ASN A 60 6.414 10.449 -0.115 1.00 0.00 C ATOM 961 OD1 ASN A 60 6.204 11.452 -0.798 1.00 0.00 O ATOM 962 ND2 ASN A 60 6.697 10.512 1.181 1.00 0.00 N ATOM 0 H ASN A 60 5.037 6.945 -1.919 1.00 0.00 H new ATOM 0 HA ASN A 60 4.839 9.910 -1.947 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.020 8.350 0.019 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.370 8.762 -1.020 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.747 11.417 1.649 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.864 9.655 1.709 1.00 0.00 H new ATOM 969 N SER A 61 5.881 9.709 -4.224 1.00 0.00 N ATOM 970 CA SER A 61 6.593 9.672 -5.504 1.00 0.00 C ATOM 971 C SER A 61 6.676 11.044 -6.181 1.00 0.00 C ATOM 972 O SER A 61 5.686 11.768 -6.276 1.00 0.00 O ATOM 973 CB SER A 61 5.920 8.680 -6.452 1.00 0.00 C ATOM 974 OG SER A 61 5.108 7.765 -5.741 1.00 0.00 O ATOM 0 H SER A 61 5.104 10.369 -4.180 1.00 0.00 H new ATOM 0 HA SER A 61 7.612 9.355 -5.284 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.313 9.221 -7.178 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.680 8.136 -7.013 1.00 0.00 H new ATOM 0 HG SER A 61 5.663 7.252 -5.117 1.00 0.00 H new ATOM 980 N PRO A 62 7.881 11.401 -6.661 1.00 0.00 N ATOM 981 CA PRO A 62 8.146 12.679 -7.343 1.00 0.00 C ATOM 982 C PRO A 62 7.421 12.842 -8.676 1.00 0.00 C ATOM 983 O PRO A 62 7.435 13.925 -9.259 1.00 0.00 O ATOM 984 CB PRO A 62 9.655 12.643 -7.574 1.00 0.00 C ATOM 985 CG PRO A 62 10.009 11.198 -7.567 1.00 0.00 C ATOM 986 CD PRO A 62 9.096 10.578 -6.560 1.00 0.00 C ATOM 0 HA PRO A 62 7.790 13.517 -6.743 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.921 13.110 -8.522 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.187 13.184 -6.792 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.869 10.753 -8.552 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.054 11.050 -7.296 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.894 9.532 -6.789 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.522 10.609 -5.557 1.00 0.00 H new ATOM 994 N ASP A 63 6.791 11.780 -9.166 1.00 0.00 N ATOM 995 CA ASP A 63 6.080 11.861 -10.435 1.00 0.00 C ATOM 996 C ASP A 63 4.795 11.029 -10.385 1.00 0.00 C ATOM 997 O ASP A 63 4.746 10.006 -9.704 1.00 0.00 O ATOM 998 CB ASP A 63 6.990 11.392 -11.579 1.00 0.00 C ATOM 999 CG ASP A 63 6.228 11.058 -12.848 1.00 0.00 C ATOM 1000 OD1 ASP A 63 5.271 11.790 -13.175 1.00 0.00 O ATOM 1001 OD2 ASP A 63 6.588 10.064 -13.513 1.00 0.00 O ATOM 0 H ASP A 63 6.758 10.867 -8.712 1.00 0.00 H new ATOM 0 HA ASP A 63 5.802 12.899 -10.617 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.721 12.171 -11.796 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.547 10.513 -11.255 1.00 0.00 H new ATOM 1006 N GLU A 64 3.753 11.469 -11.096 1.00 0.00 N ATOM 1007 CA GLU A 64 2.480 10.721 -11.086 1.00 0.00 C ATOM 1008 C GLU A 64 2.675 9.292 -11.587 1.00 0.00 C ATOM 1009 O GLU A 64 2.139 8.359 -10.995 1.00 0.00 O ATOM 1010 CB GLU A 64 1.370 11.418 -11.886 1.00 0.00 C ATOM 1011 CG GLU A 64 0.543 12.365 -11.032 1.00 0.00 C ATOM 1012 CD GLU A 64 1.099 13.774 -11.016 1.00 0.00 C ATOM 1013 OE1 GLU A 64 1.875 14.118 -11.932 1.00 0.00 O ATOM 1014 OE2 GLU A 64 0.757 14.538 -10.087 1.00 0.00 O ATOM 0 H GLU A 64 3.756 12.312 -11.671 1.00 0.00 H new ATOM 0 HA GLU A 64 2.156 10.691 -10.046 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.816 11.974 -12.711 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.716 10.665 -12.325 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.480 12.387 -11.407 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.500 11.984 -10.012 1.00 0.00 H new ATOM 1021 N ASP A 65 3.453 9.106 -12.658 1.00 0.00 N ATOM 1022 CA ASP A 65 3.703 7.759 -13.172 1.00 0.00 C ATOM 1023 C ASP A 65 4.093 6.855 -12.015 1.00 0.00 C ATOM 1024 O ASP A 65 3.460 5.831 -11.760 1.00 0.00 O ATOM 1025 CB ASP A 65 4.829 7.792 -14.197 1.00 0.00 C ATOM 1026 CG ASP A 65 4.960 6.488 -14.959 1.00 0.00 C ATOM 1027 OD1 ASP A 65 5.617 5.561 -14.440 1.00 0.00 O ATOM 1028 OD2 ASP A 65 4.406 6.393 -16.074 1.00 0.00 O ATOM 0 H ASP A 65 3.912 9.856 -13.176 1.00 0.00 H new ATOM 0 HA ASP A 65 2.801 7.380 -13.653 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.651 8.604 -14.902 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.770 8.010 -13.691 1.00 0.00 H new ATOM 1033 N SER A 66 5.112 7.289 -11.283 1.00 0.00 N ATOM 1034 CA SER A 66 5.568 6.574 -10.099 1.00 0.00 C ATOM 1035 C SER A 66 4.428 6.536 -9.090 1.00 0.00 C ATOM 1036 O SER A 66 3.975 5.476 -8.669 1.00 0.00 O ATOM 1037 CB SER A 66 6.779 7.280 -9.491 1.00 0.00 C ATOM 1038 OG SER A 66 7.931 7.112 -10.301 1.00 0.00 O ATOM 0 H SER A 66 5.640 8.137 -11.491 1.00 0.00 H new ATOM 0 HA SER A 66 5.862 5.560 -10.369 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.564 8.342 -9.376 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.971 6.884 -8.494 1.00 0.00 H new ATOM 0 HG SER A 66 8.690 7.575 -9.890 1.00 0.00 H new ATOM 1044 N LEU A 67 3.965 7.731 -8.746 1.00 0.00 N ATOM 1045 CA LEU A 67 2.860 7.940 -7.809 1.00 0.00 C ATOM 1046 C LEU A 67 1.754 6.907 -8.010 1.00 0.00 C ATOM 1047 O LEU A 67 1.437 6.148 -7.094 1.00 0.00 O ATOM 1048 CB LEU A 67 2.341 9.380 -8.014 1.00 0.00 C ATOM 1049 CG LEU A 67 0.984 9.761 -7.410 1.00 0.00 C ATOM 1050 CD1 LEU A 67 0.743 11.249 -7.585 1.00 0.00 C ATOM 1051 CD2 LEU A 67 -0.162 8.977 -8.032 1.00 0.00 C ATOM 0 H LEU A 67 4.351 8.600 -9.115 1.00 0.00 H new ATOM 0 HA LEU A 67 3.206 7.812 -6.784 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.088 10.063 -7.608 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.290 9.564 -9.087 1.00 0.00 H new ATOM 0 HG LEU A 67 1.015 9.511 -6.350 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.222 11.514 -7.154 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.531 11.807 -7.080 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.747 11.496 -8.647 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.102 9.281 -7.572 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.200 9.176 -9.103 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.005 7.911 -7.867 1.00 0.00 H new ATOM 1063 N ALA A 68 1.172 6.866 -9.197 1.00 0.00 N ATOM 1064 CA ALA A 68 0.111 5.908 -9.473 1.00 0.00 C ATOM 1065 C ALA A 68 0.658 4.488 -9.428 1.00 0.00 C ATOM 1066 O ALA A 68 -0.027 3.563 -8.994 1.00 0.00 O ATOM 1067 CB ALA A 68 -0.531 6.196 -10.822 1.00 0.00 C ATOM 0 H ALA A 68 1.412 7.477 -9.978 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.656 6.006 -8.705 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.322 5.470 -11.011 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.954 7.200 -10.816 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.223 6.124 -11.606 1.00 0.00 H new ATOM 1073 N HIS A 69 1.905 4.322 -9.863 1.00 0.00 N ATOM 1074 CA HIS A 69 2.547 3.015 -9.855 1.00 0.00 C ATOM 1075 C HIS A 69 2.534 2.435 -8.444 1.00 0.00 C ATOM 1076 O HIS A 69 2.363 1.232 -8.256 1.00 0.00 O ATOM 1077 CB HIS A 69 3.986 3.118 -10.364 1.00 0.00 C ATOM 1078 CG HIS A 69 4.597 1.795 -10.704 1.00 0.00 C ATOM 1079 ND1 HIS A 69 4.018 0.589 -10.365 1.00 0.00 N ATOM 1080 CD2 HIS A 69 5.743 1.488 -11.357 1.00 0.00 C ATOM 1081 CE1 HIS A 69 4.781 -0.400 -10.795 1.00 0.00 C ATOM 1082 NE2 HIS A 69 5.833 0.120 -11.400 1.00 0.00 N ATOM 0 H HIS A 69 2.488 5.077 -10.224 1.00 0.00 H new ATOM 0 HA HIS A 69 1.991 2.353 -10.519 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.005 3.756 -11.248 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.597 3.607 -9.605 1.00 0.00 H new ATOM 0 HD1 HIS A 69 3.138 0.478 -9.861 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.454 2.190 -11.768 1.00 0.00 H new ATOM 0 HE1 HIS A 69 4.579 -1.454 -10.673 1.00 0.00 H new ATOM 1091 N MET A 70 2.708 3.310 -7.459 1.00 0.00 N ATOM 1092 CA MET A 70 2.711 2.894 -6.054 1.00 0.00 C ATOM 1093 C MET A 70 1.278 2.703 -5.533 1.00 0.00 C ATOM 1094 O MET A 70 0.930 1.620 -5.061 1.00 0.00 O ATOM 1095 CB MET A 70 3.449 3.921 -5.174 1.00 0.00 C ATOM 1096 CG MET A 70 4.563 4.687 -5.871 1.00 0.00 C ATOM 1097 SD MET A 70 6.099 3.749 -5.974 1.00 0.00 S ATOM 1098 CE MET A 70 5.940 3.010 -7.598 1.00 0.00 C ATOM 0 H MET A 70 2.849 4.310 -7.603 1.00 0.00 H new ATOM 0 HA MET A 70 3.237 1.941 -5.998 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.722 4.637 -4.791 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.870 3.402 -4.313 1.00 0.00 H new ATOM 0 HG2 MET A 70 4.239 4.956 -6.876 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.747 5.619 -5.336 1.00 0.00 H new ATOM 0 HE1 MET A 70 6.841 2.441 -7.829 1.00 0.00 H new ATOM 0 HE2 MET A 70 5.077 2.345 -7.612 1.00 0.00 H new ATOM 0 HE3 MET A 70 5.806 3.794 -8.343 1.00 0.00 H new ATOM 1108 N GLN A 71 0.450 3.754 -5.606 1.00 0.00 N ATOM 1109 CA GLN A 71 -0.931 3.665 -5.121 1.00 0.00 C ATOM 1110 C GLN A 71 -1.692 2.511 -5.773 1.00 0.00 C ATOM 1111 O GLN A 71 -2.602 1.945 -5.166 1.00 0.00 O ATOM 1112 CB GLN A 71 -1.714 4.979 -5.314 1.00 0.00 C ATOM 1113 CG GLN A 71 -1.372 5.774 -6.559 1.00 0.00 C ATOM 1114 CD GLN A 71 -2.607 6.164 -7.350 1.00 0.00 C ATOM 1115 OE1 GLN A 71 -2.820 5.689 -8.465 1.00 0.00 O ATOM 1116 NE2 GLN A 71 -3.428 7.034 -6.773 1.00 0.00 N ATOM 0 H GLN A 71 0.709 4.663 -5.991 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.853 3.473 -4.051 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.779 4.746 -5.336 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.544 5.612 -4.443 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.826 6.674 -6.275 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.708 5.185 -7.192 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.212 7.402 -5.847 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.275 7.334 -7.256 1.00 0.00 H new ATOM 1125 N ASN A 72 -1.327 2.160 -7.003 1.00 0.00 N ATOM 1126 CA ASN A 72 -1.997 1.067 -7.706 1.00 0.00 C ATOM 1127 C ASN A 72 -1.458 -0.287 -7.254 1.00 0.00 C ATOM 1128 O ASN A 72 -2.223 -1.230 -7.047 1.00 0.00 O ATOM 1129 CB ASN A 72 -1.833 1.217 -9.219 1.00 0.00 C ATOM 1130 CG ASN A 72 -3.008 0.643 -9.985 1.00 0.00 C ATOM 1131 OD1 ASN A 72 -3.341 -0.534 -9.846 1.00 0.00 O ATOM 1132 ND2 ASN A 72 -3.646 1.475 -10.801 1.00 0.00 N ATOM 0 H ASN A 72 -0.579 2.610 -7.530 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.058 1.115 -7.461 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.721 2.272 -9.467 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -0.917 0.717 -9.534 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.445 1.146 -11.342 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.337 2.443 -10.886 1.00 0.00 H new ATOM 1139 N VAL A 73 -0.138 -0.380 -7.097 1.00 0.00 N ATOM 1140 CA VAL A 73 0.500 -1.620 -6.663 1.00 0.00 C ATOM 1141 C VAL A 73 -0.239 -2.222 -5.468 1.00 0.00 C ATOM 1142 O VAL A 73 -0.476 -3.429 -5.417 1.00 0.00 O ATOM 1143 CB VAL A 73 1.986 -1.381 -6.300 1.00 0.00 C ATOM 1144 CG1 VAL A 73 2.511 -2.449 -5.350 1.00 0.00 C ATOM 1145 CG2 VAL A 73 2.835 -1.329 -7.561 1.00 0.00 C ATOM 0 H VAL A 73 0.510 0.390 -7.264 1.00 0.00 H new ATOM 0 HA VAL A 73 0.454 -2.324 -7.494 1.00 0.00 H new ATOM 0 HB VAL A 73 2.052 -0.422 -5.787 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.557 -2.248 -5.118 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.927 -2.437 -4.430 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.426 -3.428 -5.821 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.877 -1.160 -7.291 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.747 -2.274 -8.098 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.489 -0.516 -8.199 1.00 0.00 H new ATOM 1155 N VAL A 74 -0.604 -1.373 -4.514 1.00 0.00 N ATOM 1156 CA VAL A 74 -1.322 -1.832 -3.326 1.00 0.00 C ATOM 1157 C VAL A 74 -2.744 -2.263 -3.681 1.00 0.00 C ATOM 1158 O VAL A 74 -3.195 -3.328 -3.258 1.00 0.00 O ATOM 1159 CB VAL A 74 -1.387 -0.745 -2.232 1.00 0.00 C ATOM 1160 CG1 VAL A 74 -2.224 -1.209 -1.046 1.00 0.00 C ATOM 1161 CG2 VAL A 74 0.010 -0.350 -1.773 1.00 0.00 C ATOM 0 H VAL A 74 -0.417 -0.370 -4.537 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.764 -2.684 -2.937 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.867 0.132 -2.666 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.252 -0.423 -0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.238 -1.428 -1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.781 -2.108 -0.618 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.064 0.417 -1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.520 -1.224 -1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.575 0.040 -2.620 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.449 -1.442 -4.467 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.813 -1.765 -4.877 1.00 0.00 C ATOM 1173 C ALA A 75 -4.887 -3.200 -5.376 1.00 0.00 C ATOM 1174 O ALA A 75 -5.927 -3.851 -5.293 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.295 -0.804 -5.956 1.00 0.00 C ATOM 0 H ALA A 75 -3.097 -0.555 -4.828 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.466 -1.660 -4.010 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.313 -1.064 -6.246 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.276 0.215 -5.570 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.641 -0.875 -6.825 1.00 0.00 H new ATOM 1181 N ASP A 76 -3.760 -3.685 -5.885 1.00 0.00 N ATOM 1182 CA ASP A 76 -3.671 -5.047 -6.392 1.00 0.00 C ATOM 1183 C ASP A 76 -3.557 -6.048 -5.243 1.00 0.00 C ATOM 1184 O ASP A 76 -4.164 -7.119 -5.277 1.00 0.00 O ATOM 1185 CB ASP A 76 -2.469 -5.189 -7.327 1.00 0.00 C ATOM 1186 CG ASP A 76 -2.683 -6.248 -8.390 1.00 0.00 C ATOM 1187 OD1 ASP A 76 -2.866 -7.428 -8.024 1.00 0.00 O ATOM 1188 OD2 ASP A 76 -2.669 -5.896 -9.589 1.00 0.00 O ATOM 0 H ASP A 76 -2.893 -3.152 -5.957 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.583 -5.261 -6.950 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.271 -4.231 -7.808 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.585 -5.440 -6.741 1.00 0.00 H new ATOM 1193 N HIS A 77 -2.768 -5.696 -4.230 1.00 0.00 N ATOM 1194 CA HIS A 77 -2.566 -6.568 -3.075 1.00 0.00 C ATOM 1195 C HIS A 77 -3.877 -6.826 -2.326 1.00 0.00 C ATOM 1196 O HIS A 77 -4.147 -7.954 -1.915 1.00 0.00 O ATOM 1197 CB HIS A 77 -1.522 -5.971 -2.125 1.00 0.00 C ATOM 1198 CG HIS A 77 -0.250 -5.570 -2.806 1.00 0.00 C ATOM 1199 ND1 HIS A 77 0.008 -5.833 -4.136 1.00 0.00 N ATOM 1200 CD2 HIS A 77 0.842 -4.923 -2.335 1.00 0.00 C ATOM 1201 CE1 HIS A 77 1.204 -5.365 -4.450 1.00 0.00 C ATOM 1202 NE2 HIS A 77 1.730 -4.809 -3.376 1.00 0.00 N ATOM 0 H HIS A 77 -2.258 -4.814 -4.186 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.200 -7.525 -3.447 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -1.950 -5.099 -1.630 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.293 -6.699 -1.346 1.00 0.00 H new ATOM 0 HD2 HIS A 77 0.988 -4.563 -1.327 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.671 -5.427 -5.422 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.648 -4.366 -3.327 1.00 0.00 H new ATOM 1211 N LEU A 78 -4.691 -5.785 -2.153 1.00 0.00 N ATOM 1212 CA LEU A 78 -5.963 -5.927 -1.460 1.00 0.00 C ATOM 1213 C LEU A 78 -6.883 -6.877 -2.223 1.00 0.00 C ATOM 1214 O LEU A 78 -7.756 -7.516 -1.638 1.00 0.00 O ATOM 1215 CB LEU A 78 -6.639 -4.559 -1.292 1.00 0.00 C ATOM 1216 CG LEU A 78 -5.973 -3.590 -0.300 1.00 0.00 C ATOM 1217 CD1 LEU A 78 -6.937 -2.477 0.076 1.00 0.00 C ATOM 1218 CD2 LEU A 78 -5.504 -4.324 0.949 1.00 0.00 C ATOM 0 H LEU A 78 -4.490 -4.841 -2.483 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.770 -6.345 -0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.681 -4.075 -2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.668 -4.722 -0.973 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.100 -3.154 -0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.453 -1.798 0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.225 -1.927 -0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.825 -2.906 0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.037 -3.616 1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.358 -4.792 1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.781 -5.090 0.671 1.00 0.00 H new ATOM 1230 N GLN A 79 -6.678 -6.968 -3.535 1.00 0.00 N ATOM 1231 CA GLN A 79 -7.487 -7.842 -4.378 1.00 0.00 C ATOM 1232 C GLN A 79 -7.140 -9.308 -4.142 1.00 0.00 C ATOM 1233 O GLN A 79 -8.016 -10.126 -3.858 1.00 0.00 O ATOM 1234 CB GLN A 79 -7.285 -7.499 -5.856 1.00 0.00 C ATOM 1235 CG GLN A 79 -7.371 -6.013 -6.157 1.00 0.00 C ATOM 1236 CD GLN A 79 -8.396 -5.688 -7.227 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -9.055 -6.578 -7.764 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -8.534 -4.406 -7.544 1.00 0.00 N ATOM 0 H GLN A 79 -5.959 -6.447 -4.036 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.532 -7.684 -4.112 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.311 -7.869 -6.176 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.035 -8.024 -6.447 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.624 -5.476 -5.243 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.393 -5.655 -6.477 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.967 -3.700 -7.074 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.207 -4.127 -8.258 1.00 0.00 H new ATOM 1247 N ARG A 80 -5.858 -9.636 -4.266 1.00 0.00 N ATOM 1248 CA ARG A 80 -5.392 -11.000 -4.072 1.00 0.00 C ATOM 1249 C ARG A 80 -5.871 -11.558 -2.733 1.00 0.00 C ATOM 1250 O ARG A 80 -6.197 -12.740 -2.625 1.00 0.00 O ATOM 1251 CB ARG A 80 -3.862 -11.033 -4.161 1.00 0.00 C ATOM 1252 CG ARG A 80 -3.221 -12.216 -3.458 1.00 0.00 C ATOM 1253 CD ARG A 80 -1.924 -12.626 -4.135 1.00 0.00 C ATOM 1254 NE ARG A 80 -1.294 -13.764 -3.469 1.00 0.00 N ATOM 1255 CZ ARG A 80 -1.702 -15.023 -3.609 1.00 0.00 C ATOM 1256 NH1 ARG A 80 -2.738 -15.310 -4.386 1.00 0.00 N ATOM 1257 NH2 ARG A 80 -1.071 -15.999 -2.970 1.00 0.00 N ATOM 0 H ARG A 80 -5.122 -8.970 -4.501 1.00 0.00 H new ATOM 0 HA ARG A 80 -5.809 -11.631 -4.857 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.571 -11.048 -5.211 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -3.465 -10.112 -3.733 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.025 -11.960 -2.417 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -3.913 -13.058 -3.454 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -2.123 -12.880 -5.176 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -1.235 -11.782 -4.139 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.495 -13.583 -2.861 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -3.227 -14.564 -4.880 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -3.046 -16.277 -4.489 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.273 -15.785 -2.372 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -1.383 -16.964 -3.077 1.00 0.00 H new ATOM 1271 N MET A 81 -5.909 -10.705 -1.714 1.00 0.00 N ATOM 1272 CA MET A 81 -6.346 -11.130 -0.387 1.00 0.00 C ATOM 1273 C MET A 81 -7.870 -11.128 -0.262 1.00 0.00 C ATOM 1274 O MET A 81 -8.420 -11.686 0.689 1.00 0.00 O ATOM 1275 CB MET A 81 -5.719 -10.247 0.696 1.00 0.00 C ATOM 1276 CG MET A 81 -6.055 -8.763 0.594 1.00 0.00 C ATOM 1277 SD MET A 81 -7.733 -8.377 1.128 1.00 0.00 S ATOM 1278 CE MET A 81 -7.424 -6.999 2.229 1.00 0.00 C ATOM 0 H MET A 81 -5.645 -9.722 -1.780 1.00 0.00 H new ATOM 0 HA MET A 81 -6.006 -12.156 -0.246 1.00 0.00 H new ATOM 0 HB2 MET A 81 -6.042 -10.611 1.672 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.636 -10.362 0.655 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.348 -8.195 1.199 1.00 0.00 H new ATOM 0 HG3 MET A 81 -5.925 -8.438 -0.438 1.00 0.00 H new ATOM 0 HE1 MET A 81 -7.793 -7.240 3.226 1.00 0.00 H new ATOM 0 HE2 MET A 81 -6.353 -6.804 2.276 1.00 0.00 H new ATOM 0 HE3 MET A 81 -7.938 -6.113 1.856 1.00 0.00 H new ATOM 1349 N LEU A 87 -11.480 -4.931 -5.933 1.00 0.00 N ATOM 1350 CA LEU A 87 -11.236 -4.071 -4.764 1.00 0.00 C ATOM 1351 C LEU A 87 -11.863 -2.693 -4.888 1.00 0.00 C ATOM 1352 O LEU A 87 -11.339 -1.826 -5.588 1.00 0.00 O ATOM 1353 CB LEU A 87 -9.737 -3.881 -4.501 1.00 0.00 C ATOM 1354 CG LEU A 87 -9.219 -4.420 -3.165 1.00 0.00 C ATOM 1355 CD1 LEU A 87 -9.357 -3.353 -2.089 1.00 0.00 C ATOM 1356 CD2 LEU A 87 -9.940 -5.694 -2.737 1.00 0.00 C ATOM 0 HA LEU A 87 -11.706 -4.598 -3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.183 -4.365 -5.305 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.511 -2.816 -4.553 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.168 -4.674 -3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.987 -3.743 -1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.777 -2.474 -2.371 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.406 -3.077 -1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.537 -6.037 -1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.005 -5.490 -2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.793 -6.466 -3.492 1.00 0.00 H new ATOM 1368 N GLU A 88 -12.947 -2.470 -4.165 1.00 0.00 N ATOM 1369 CA GLU A 88 -13.572 -1.163 -4.179 1.00 0.00 C ATOM 1370 C GLU A 88 -12.655 -0.199 -3.441 1.00 0.00 C ATOM 1371 O GLU A 88 -12.653 -0.152 -2.212 1.00 0.00 O ATOM 1372 CB GLU A 88 -14.942 -1.214 -3.501 1.00 0.00 C ATOM 1373 CG GLU A 88 -15.709 0.096 -3.583 1.00 0.00 C ATOM 1374 CD GLU A 88 -17.201 -0.089 -3.380 1.00 0.00 C ATOM 1375 OE1 GLU A 88 -17.839 -0.737 -4.236 1.00 0.00 O ATOM 1376 OE2 GLU A 88 -17.729 0.413 -2.366 1.00 0.00 O ATOM 0 H GLU A 88 -13.404 -3.163 -3.572 1.00 0.00 H new ATOM 0 HA GLU A 88 -13.724 -0.832 -5.207 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -15.537 -2.003 -3.961 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.810 -1.484 -2.453 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.326 0.785 -2.830 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.532 0.556 -4.555 1.00 0.00 H new ATOM 1383 N ILE A 89 -11.862 0.553 -4.192 1.00 0.00 N ATOM 1384 CA ILE A 89 -10.927 1.491 -3.590 1.00 0.00 C ATOM 1385 C ILE A 89 -11.010 2.860 -4.263 1.00 0.00 C ATOM 1386 O ILE A 89 -10.915 2.956 -5.487 1.00 0.00 O ATOM 1387 CB ILE A 89 -9.461 0.959 -3.646 1.00 0.00 C ATOM 1388 CG1 ILE A 89 -8.816 1.163 -5.030 1.00 0.00 C ATOM 1389 CG2 ILE A 89 -9.418 -0.513 -3.275 1.00 0.00 C ATOM 1390 CD1 ILE A 89 -9.158 0.082 -6.034 1.00 0.00 C ATOM 0 H ILE A 89 -11.848 0.532 -5.212 1.00 0.00 H new ATOM 0 HA ILE A 89 -11.212 1.596 -2.543 1.00 0.00 H new ATOM 0 HB ILE A 89 -8.886 1.538 -2.924 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.132 2.127 -5.428 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.733 1.206 -4.912 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.389 -0.869 -3.319 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.805 -0.645 -2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -10.029 -1.083 -3.975 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.666 0.298 -6.982 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.817 -0.883 -5.660 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.237 0.053 -6.184 1.00 0.00 H new ATOM 1402 N ALA A 90 -11.168 3.926 -3.477 1.00 0.00 N ATOM 1403 CA ALA A 90 -11.223 5.255 -4.062 1.00 0.00 C ATOM 1404 C ALA A 90 -9.859 5.910 -3.964 1.00 0.00 C ATOM 1405 O ALA A 90 -9.396 6.255 -2.876 1.00 0.00 O ATOM 1406 CB ALA A 90 -12.276 6.124 -3.383 1.00 0.00 C ATOM 0 H ALA A 90 -11.257 3.893 -2.461 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.506 5.155 -5.110 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -12.288 7.110 -3.847 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -13.256 5.660 -3.492 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.037 6.224 -2.324 1.00 0.00 H new ATOM 1412 N TRP A 91 -9.218 6.076 -5.108 1.00 0.00 N ATOM 1413 CA TRP A 91 -7.898 6.686 -5.158 1.00 0.00 C ATOM 1414 C TRP A 91 -7.989 8.191 -5.385 1.00 0.00 C ATOM 1415 O TRP A 91 -8.727 8.662 -6.248 1.00 0.00 O ATOM 1416 CB TRP A 91 -7.039 6.033 -6.246 1.00 0.00 C ATOM 1417 CG TRP A 91 -7.578 6.181 -7.641 1.00 0.00 C ATOM 1418 CD1 TRP A 91 -8.805 6.660 -8.014 1.00 0.00 C ATOM 1419 CD2 TRP A 91 -6.899 5.839 -8.855 1.00 0.00 C ATOM 1420 NE1 TRP A 91 -8.923 6.637 -9.383 1.00 0.00 N ATOM 1421 CE2 TRP A 91 -7.768 6.137 -9.921 1.00 0.00 C ATOM 1422 CE3 TRP A 91 -5.638 5.309 -9.143 1.00 0.00 C ATOM 1423 CZ2 TRP A 91 -7.415 5.924 -11.252 1.00 0.00 C ATOM 1424 CZ3 TRP A 91 -5.290 5.098 -10.464 1.00 0.00 C ATOM 1425 CH2 TRP A 91 -6.175 5.405 -11.503 1.00 0.00 C ATOM 0 H TRP A 91 -9.589 5.797 -6.016 1.00 0.00 H new ATOM 0 HA TRP A 91 -7.422 6.520 -4.192 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -6.039 6.465 -6.209 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -6.936 4.971 -6.021 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -9.568 7.005 -7.332 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -9.739 6.943 -9.913 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -4.948 5.069 -8.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -8.096 6.160 -12.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -4.318 4.689 -10.698 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -5.873 5.228 -12.525 1.00 0.00 H new ATOM 1436 N GLN A 92 -7.229 8.942 -4.600 1.00 0.00 N ATOM 1437 CA GLN A 92 -7.218 10.394 -4.714 1.00 0.00 C ATOM 1438 C GLN A 92 -6.161 10.844 -5.719 1.00 0.00 C ATOM 1439 O GLN A 92 -5.182 10.139 -5.961 1.00 0.00 O ATOM 1440 CB GLN A 92 -6.950 11.035 -3.351 1.00 0.00 C ATOM 1441 CG GLN A 92 -8.024 10.741 -2.318 1.00 0.00 C ATOM 1442 CD GLN A 92 -7.692 11.310 -0.952 1.00 0.00 C ATOM 1443 OE1 GLN A 92 -6.700 12.020 -0.788 1.00 0.00 O ATOM 1444 NE2 GLN A 92 -8.523 11.001 0.037 1.00 0.00 N ATOM 0 H GLN A 92 -6.612 8.570 -3.878 1.00 0.00 H new ATOM 0 HA GLN A 92 -8.197 10.716 -5.068 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.990 10.681 -2.975 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.865 12.114 -3.477 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.973 11.155 -2.659 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.158 9.662 -2.235 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -9.334 10.409 -0.144 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -8.351 11.356 0.978 1.00 0.00 H new ATOM 1453 N PRO A 93 -6.353 12.027 -6.328 1.00 0.00 N ATOM 1454 CA PRO A 93 -5.417 12.567 -7.321 1.00 0.00 C ATOM 1455 C PRO A 93 -3.969 12.534 -6.847 1.00 0.00 C ATOM 1456 O PRO A 93 -3.062 12.261 -7.633 1.00 0.00 O ATOM 1457 CB PRO A 93 -5.875 14.010 -7.489 1.00 0.00 C ATOM 1458 CG PRO A 93 -7.326 13.991 -7.152 1.00 0.00 C ATOM 1459 CD PRO A 93 -7.499 12.927 -6.103 1.00 0.00 C ATOM 0 HA PRO A 93 -5.429 11.982 -8.241 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.324 14.679 -6.828 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.710 14.361 -8.508 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.652 14.962 -6.779 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.928 13.770 -8.034 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.486 13.349 -5.098 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.448 12.403 -6.216 1.00 0.00 H new ATOM 1467 N ALA A 94 -3.765 12.830 -5.560 1.00 0.00 N ATOM 1468 CA ALA A 94 -2.428 12.852 -4.957 1.00 0.00 C ATOM 1469 C ALA A 94 -1.861 14.268 -4.940 1.00 0.00 C ATOM 1470 O ALA A 94 -0.645 14.459 -4.948 1.00 0.00 O ATOM 1471 CB ALA A 94 -1.464 11.917 -5.683 1.00 0.00 C ATOM 0 H ALA A 94 -4.517 13.060 -4.910 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.535 12.500 -3.931 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.485 11.962 -5.206 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.843 10.896 -5.637 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.375 12.224 -6.725 1.00 0.00 H new