USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 738 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 : no HE2:sc= -2.37 K(o=-2.4,f=-7.8!) USER MOD Set 1.2: A 86 MET CE :methyl -174:sc= -0.0206 (180deg=-0.103) USER MOD Set 2.1: A 79 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 82 MET CE :methyl -116:sc= -3.87! (180deg=-6.41!) USER MOD Set 3.1: A 32 ASN : amide:sc= 0.119 K(o=-2,f=-2.8) USER MOD Set 3.2: A 34 MET CE :methyl 163:sc= -2.01 (180deg=-3.07) USER MOD Set 3.3: A 76 MET CE :methyl -150:sc= -0.107 (180deg=-0.38) USER MOD Set 4.1: A 3 SER OG : rot -170:sc= -0.07 USER MOD Set 4.2: A 23 LYS NZ :NH3+ 165:sc= -1.04 (180deg=-2.11!) USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.0839 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 176:sc= 0 (180deg=-0.0124) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.357 USER MOD Single : A 14 MET CE :methyl 126:sc= -4.88! (180deg=-5.94!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.537 USER MOD Single : A 24 LYS NZ :NH3+ 134:sc= 0.00313! (180deg=-1.3!) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0684 USER MOD Single : A 38 CYS SG : rot 180:sc= -0.986 USER MOD Single : A 43 HIS : no HD1:sc= -0.411 X(o=-0.41,f=-0.77) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0243 USER MOD Single : A 47 GLN : amide:sc= -0.74 X(o=-0.74,f=-0.81) USER MOD Single : A 51 ASN : amide:sc= -1.07 K(o=-1.1,f=-2.2!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.502 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 71 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.52) USER MOD Single : A 81 LYS NZ :NH3+ 154:sc= 1.01 (180deg=0.312) USER MOD Single : A 85 HIS : no HD1:sc= -0.43 X(o=-0.43,f=-0.032) USER MOD Single : A 89 HIS :FLIP no HD1:sc= -0.0156 F(o=-0.6,f=-0.016) USER MOD Single : A 90 LYS NZ :NH3+ 155:sc= -0.158 (180deg=-0.568) USER MOD Single : A 91 ASN : amide:sc= -0.197 K(o=-0.2,f=-1.4) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.548 13.463 -12.075 1.00 0.00 N ATOM 2 CA GLY A 1 4.550 14.914 -12.084 1.00 0.00 C ATOM 3 C GLY A 1 3.289 15.492 -12.694 1.00 0.00 C ATOM 4 O GLY A 1 2.303 14.781 -12.889 1.00 0.00 O ATOM 0 H1 GLY A 1 4.839 13.121 -11.137 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.591 13.116 -12.288 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.212 13.110 -12.794 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.657 15.280 -11.063 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.416 15.270 -12.642 1.00 0.00 H new ATOM 8 N SER A 2 3.318 16.786 -12.995 1.00 0.00 N ATOM 9 CA SER A 2 2.166 17.461 -13.581 1.00 0.00 C ATOM 10 C SER A 2 2.415 17.784 -15.051 1.00 0.00 C ATOM 11 O SER A 2 3.166 18.704 -15.377 1.00 0.00 O ATOM 12 CB SER A 2 1.855 18.746 -12.810 1.00 0.00 C ATOM 13 OG SER A 2 0.691 19.375 -13.317 1.00 0.00 O ATOM 0 H SER A 2 4.127 17.388 -12.843 1.00 0.00 H new ATOM 0 HA SER A 2 1.310 16.789 -13.515 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.717 18.516 -11.754 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.701 19.429 -12.879 1.00 0.00 H new ATOM 0 HG SER A 2 0.513 20.193 -12.807 1.00 0.00 H new ATOM 19 N SER A 3 1.779 17.021 -15.934 1.00 0.00 N ATOM 20 CA SER A 3 1.934 17.222 -17.370 1.00 0.00 C ATOM 21 C SER A 3 0.620 17.674 -18.000 1.00 0.00 C ATOM 22 O SER A 3 -0.405 17.768 -17.325 1.00 0.00 O ATOM 23 CB SER A 3 2.417 15.933 -18.038 1.00 0.00 C ATOM 24 OG SER A 3 3.155 16.215 -19.215 1.00 0.00 O ATOM 0 H SER A 3 1.151 16.258 -15.680 1.00 0.00 H new ATOM 0 HA SER A 3 2.678 18.003 -17.524 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.038 15.369 -17.342 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.561 15.304 -18.283 1.00 0.00 H new ATOM 0 HG SER A 3 3.317 15.383 -19.707 1.00 0.00 H new ATOM 30 N GLY A 4 0.658 17.952 -19.299 1.00 0.00 N ATOM 31 CA GLY A 4 -0.535 18.391 -20.000 1.00 0.00 C ATOM 32 C GLY A 4 -0.333 18.462 -21.500 1.00 0.00 C ATOM 33 O GLY A 4 -0.920 17.682 -22.250 1.00 0.00 O ATOM 0 H GLY A 4 1.494 17.881 -19.879 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.355 17.707 -19.779 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.830 19.373 -19.629 1.00 0.00 H new ATOM 37 N SER A 5 0.499 19.401 -21.940 1.00 0.00 N ATOM 38 CA SER A 5 0.773 19.574 -23.362 1.00 0.00 C ATOM 39 C SER A 5 1.518 18.366 -23.922 1.00 0.00 C ATOM 40 O SER A 5 1.202 17.877 -25.007 1.00 0.00 O ATOM 41 CB SER A 5 1.593 20.845 -23.594 1.00 0.00 C ATOM 42 OG SER A 5 1.661 21.163 -24.973 1.00 0.00 O ATOM 0 H SER A 5 0.995 20.053 -21.332 1.00 0.00 H new ATOM 0 HA SER A 5 -0.180 19.665 -23.882 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.145 21.675 -23.048 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.600 20.709 -23.199 1.00 0.00 H new ATOM 0 HG SER A 5 2.189 21.980 -25.095 1.00 0.00 H new ATOM 48 N SER A 6 2.508 17.890 -23.175 1.00 0.00 N ATOM 49 CA SER A 6 3.301 16.741 -23.597 1.00 0.00 C ATOM 50 C SER A 6 2.509 15.447 -23.437 1.00 0.00 C ATOM 51 O SER A 6 2.042 15.122 -22.347 1.00 0.00 O ATOM 52 CB SER A 6 4.597 16.663 -22.788 1.00 0.00 C ATOM 53 OG SER A 6 5.628 16.042 -23.535 1.00 0.00 O ATOM 0 H SER A 6 2.781 18.282 -22.274 1.00 0.00 H new ATOM 0 HA SER A 6 3.547 16.868 -24.651 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.908 17.666 -22.497 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.422 16.104 -21.869 1.00 0.00 H new ATOM 0 HG SER A 6 6.446 16.006 -22.996 1.00 0.00 H new ATOM 59 N GLY A 7 2.363 14.710 -24.535 1.00 0.00 N ATOM 60 CA GLY A 7 1.627 13.460 -24.497 1.00 0.00 C ATOM 61 C GLY A 7 2.406 12.349 -23.821 1.00 0.00 C ATOM 62 O GLY A 7 3.262 12.608 -22.976 1.00 0.00 O ATOM 0 H GLY A 7 2.741 14.957 -25.449 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.685 13.612 -23.970 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.377 13.158 -25.514 1.00 0.00 H new ATOM 66 N MET A 8 2.107 11.109 -24.192 1.00 0.00 N ATOM 67 CA MET A 8 2.787 9.954 -23.615 1.00 0.00 C ATOM 68 C MET A 8 3.656 9.258 -24.657 1.00 0.00 C ATOM 69 O MET A 8 3.152 8.531 -25.515 1.00 0.00 O ATOM 70 CB MET A 8 1.766 8.968 -23.043 1.00 0.00 C ATOM 71 CG MET A 8 0.604 8.685 -23.981 1.00 0.00 C ATOM 72 SD MET A 8 -0.208 7.114 -23.627 1.00 0.00 S ATOM 73 CE MET A 8 -0.872 7.437 -21.995 1.00 0.00 C ATOM 0 H MET A 8 1.399 10.877 -24.889 1.00 0.00 H new ATOM 0 HA MET A 8 3.431 10.307 -22.809 1.00 0.00 H new ATOM 0 HB2 MET A 8 2.270 8.030 -22.809 1.00 0.00 H new ATOM 0 HB3 MET A 8 1.377 9.364 -22.105 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.125 9.492 -23.904 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.965 8.679 -25.009 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.464 6.583 -21.668 1.00 0.00 H new ATOM 0 HE2 MET A 8 -0.053 7.600 -21.295 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.503 8.325 -22.028 1.00 0.00 H new ATOM 83 N LEU A 9 4.962 9.485 -24.579 1.00 0.00 N ATOM 84 CA LEU A 9 5.902 8.879 -25.515 1.00 0.00 C ATOM 85 C LEU A 9 7.102 8.293 -24.780 1.00 0.00 C ATOM 86 O LEU A 9 7.652 8.916 -23.872 1.00 0.00 O ATOM 87 CB LEU A 9 6.372 9.915 -26.538 1.00 0.00 C ATOM 88 CG LEU A 9 5.295 10.482 -27.463 1.00 0.00 C ATOM 89 CD1 LEU A 9 5.732 11.823 -28.032 1.00 0.00 C ATOM 90 CD2 LEU A 9 4.983 9.501 -28.584 1.00 0.00 C ATOM 0 H LEU A 9 5.395 10.085 -23.877 1.00 0.00 H new ATOM 0 HA LEU A 9 5.388 8.070 -26.035 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.834 10.743 -26.000 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.149 9.462 -27.153 1.00 0.00 H new ATOM 0 HG LEU A 9 4.387 10.636 -26.880 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.953 12.211 -28.688 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.903 12.526 -27.217 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.654 11.694 -28.600 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.214 9.922 -29.232 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.886 9.314 -29.166 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.625 8.564 -28.158 1.00 0.00 H new ATOM 102 N SER A 10 7.505 7.091 -25.179 1.00 0.00 N ATOM 103 CA SER A 10 8.641 6.419 -24.557 1.00 0.00 C ATOM 104 C SER A 10 9.642 5.957 -25.611 1.00 0.00 C ATOM 105 O SER A 10 9.300 5.803 -26.783 1.00 0.00 O ATOM 106 CB SER A 10 8.164 5.223 -23.731 1.00 0.00 C ATOM 107 OG SER A 10 7.486 4.280 -24.544 1.00 0.00 O ATOM 0 H SER A 10 7.062 6.562 -25.930 1.00 0.00 H new ATOM 0 HA SER A 10 9.137 7.132 -23.898 1.00 0.00 H new ATOM 0 HB2 SER A 10 9.018 4.746 -23.250 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.501 5.567 -22.937 1.00 0.00 H new ATOM 0 HG SER A 10 7.193 3.524 -23.993 1.00 0.00 H new ATOM 113 N ALA A 11 10.882 5.737 -25.185 1.00 0.00 N ATOM 114 CA ALA A 11 11.933 5.291 -26.090 1.00 0.00 C ATOM 115 C ALA A 11 12.704 4.115 -25.499 1.00 0.00 C ATOM 116 O ALA A 11 13.261 4.213 -24.406 1.00 0.00 O ATOM 117 CB ALA A 11 12.880 6.439 -26.406 1.00 0.00 C ATOM 0 H ALA A 11 11.183 5.861 -24.218 1.00 0.00 H new ATOM 0 HA ALA A 11 11.463 4.956 -27.015 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.660 6.091 -27.083 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.325 7.249 -26.878 1.00 0.00 H new ATOM 0 HB3 ALA A 11 13.335 6.800 -25.484 1.00 0.00 H new ATOM 123 N ARG A 12 12.730 3.004 -26.229 1.00 0.00 N ATOM 124 CA ARG A 12 13.431 1.809 -25.775 1.00 0.00 C ATOM 125 C ARG A 12 14.933 1.934 -26.019 1.00 0.00 C ATOM 126 O ARG A 12 15.742 1.667 -25.130 1.00 0.00 O ATOM 127 CB ARG A 12 12.889 0.571 -26.492 1.00 0.00 C ATOM 128 CG ARG A 12 13.028 -0.709 -25.685 1.00 0.00 C ATOM 129 CD ARG A 12 12.205 -0.654 -24.407 1.00 0.00 C ATOM 130 NE ARG A 12 12.968 -0.105 -23.289 1.00 0.00 N ATOM 131 CZ ARG A 12 12.421 0.253 -22.132 1.00 0.00 C ATOM 132 NH1 ARG A 12 11.116 0.121 -21.943 1.00 0.00 N ATOM 133 NH2 ARG A 12 13.181 0.745 -21.162 1.00 0.00 N ATOM 0 H ARG A 12 12.274 2.907 -27.136 1.00 0.00 H new ATOM 0 HA ARG A 12 13.262 1.704 -24.703 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.837 0.730 -26.728 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.414 0.452 -27.440 1.00 0.00 H new ATOM 0 HG2 ARG A 12 12.708 -1.558 -26.289 1.00 0.00 H new ATOM 0 HG3 ARG A 12 14.077 -0.872 -25.437 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.317 -0.045 -24.574 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.861 -1.657 -24.154 1.00 0.00 H new ATOM 0 HE ARG A 12 13.975 0.010 -23.402 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.529 -0.256 -22.687 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.699 0.397 -21.054 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.186 0.849 -21.304 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.761 1.020 -20.274 1.00 0.00 H new ATOM 147 N THR A 13 15.298 2.342 -27.231 1.00 0.00 N ATOM 148 CA THR A 13 16.701 2.499 -27.593 1.00 0.00 C ATOM 149 C THR A 13 17.370 3.577 -26.747 1.00 0.00 C ATOM 150 O THR A 13 16.699 4.440 -26.181 1.00 0.00 O ATOM 151 CB THR A 13 16.860 2.860 -29.082 1.00 0.00 C ATOM 152 OG1 THR A 13 18.242 2.812 -29.453 1.00 0.00 O ATOM 153 CG2 THR A 13 16.301 4.245 -29.366 1.00 0.00 C ATOM 0 H THR A 13 14.641 2.569 -27.978 1.00 0.00 H new ATOM 0 HA THR A 13 17.185 1.541 -27.405 1.00 0.00 H new ATOM 0 HB THR A 13 16.301 2.133 -29.671 1.00 0.00 H new ATOM 0 HG1 THR A 13 18.334 3.041 -30.401 1.00 0.00 H new ATOM 0 HG21 THR A 13 16.425 4.477 -30.424 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.242 4.269 -29.111 1.00 0.00 H new ATOM 0 HG23 THR A 13 16.835 4.983 -28.767 1.00 0.00 H new ATOM 161 N MET A 14 18.695 3.522 -26.666 1.00 0.00 N ATOM 162 CA MET A 14 19.454 4.496 -25.890 1.00 0.00 C ATOM 163 C MET A 14 20.610 5.061 -26.708 1.00 0.00 C ATOM 164 O MET A 14 21.602 5.537 -26.155 1.00 0.00 O ATOM 165 CB MET A 14 19.987 3.854 -24.607 1.00 0.00 C ATOM 166 CG MET A 14 21.299 3.111 -24.800 1.00 0.00 C ATOM 167 SD MET A 14 21.485 1.723 -23.663 1.00 0.00 S ATOM 168 CE MET A 14 21.194 2.532 -22.092 1.00 0.00 C ATOM 0 H MET A 14 19.265 2.814 -27.128 1.00 0.00 H new ATOM 0 HA MET A 14 18.784 5.315 -25.627 1.00 0.00 H new ATOM 0 HB2 MET A 14 20.125 4.629 -23.853 1.00 0.00 H new ATOM 0 HB3 MET A 14 19.240 3.161 -24.219 1.00 0.00 H new ATOM 0 HG2 MET A 14 21.358 2.746 -25.825 1.00 0.00 H new ATOM 0 HG3 MET A 14 22.129 3.804 -24.660 1.00 0.00 H new ATOM 0 HE1 MET A 14 20.405 2.008 -21.553 1.00 0.00 H new ATOM 0 HE2 MET A 14 22.109 2.517 -21.500 1.00 0.00 H new ATOM 0 HE3 MET A 14 20.891 3.565 -22.265 1.00 0.00 H new ATOM 178 N LYS A 15 20.478 5.004 -28.029 1.00 0.00 N ATOM 179 CA LYS A 15 21.510 5.512 -28.925 1.00 0.00 C ATOM 180 C LYS A 15 21.565 7.035 -28.884 1.00 0.00 C ATOM 181 O LYS A 15 22.616 7.633 -29.112 1.00 0.00 O ATOM 182 CB LYS A 15 21.249 5.039 -30.357 1.00 0.00 C ATOM 183 CG LYS A 15 21.358 3.534 -30.530 1.00 0.00 C ATOM 184 CD LYS A 15 21.314 3.136 -31.996 1.00 0.00 C ATOM 185 CE LYS A 15 22.694 3.198 -32.632 1.00 0.00 C ATOM 186 NZ LYS A 15 23.511 1.996 -32.303 1.00 0.00 N ATOM 0 H LYS A 15 19.665 4.610 -28.503 1.00 0.00 H new ATOM 0 HA LYS A 15 22.471 5.122 -28.589 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.253 5.360 -30.661 1.00 0.00 H new ATOM 0 HB3 LYS A 15 21.958 5.526 -31.026 1.00 0.00 H new ATOM 0 HG2 LYS A 15 22.288 3.182 -30.084 1.00 0.00 H new ATOM 0 HG3 LYS A 15 20.544 3.046 -29.995 1.00 0.00 H new ATOM 0 HD2 LYS A 15 20.915 2.126 -32.088 1.00 0.00 H new ATOM 0 HD3 LYS A 15 20.634 3.797 -32.533 1.00 0.00 H new ATOM 0 HE2 LYS A 15 22.592 3.283 -33.714 1.00 0.00 H new ATOM 0 HE3 LYS A 15 23.212 4.094 -32.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 24.444 2.076 -32.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 23.630 1.929 -31.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 23.030 1.143 -32.652 1.00 0.00 H new ATOM 200 N GLU A 16 20.427 7.656 -28.589 1.00 0.00 N ATOM 201 CA GLU A 16 20.348 9.111 -28.518 1.00 0.00 C ATOM 202 C GLU A 16 20.136 9.574 -27.079 1.00 0.00 C ATOM 203 O GLU A 16 20.892 10.397 -26.563 1.00 0.00 O ATOM 204 CB GLU A 16 19.211 9.626 -29.403 1.00 0.00 C ATOM 205 CG GLU A 16 18.085 8.624 -29.593 1.00 0.00 C ATOM 206 CD GLU A 16 16.898 9.213 -30.330 1.00 0.00 C ATOM 207 OE1 GLU A 16 16.030 9.819 -29.669 1.00 0.00 O ATOM 208 OE2 GLU A 16 16.838 9.066 -31.569 1.00 0.00 O ATOM 0 H GLU A 16 19.548 7.175 -28.396 1.00 0.00 H new ATOM 0 HA GLU A 16 21.292 9.519 -28.878 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.805 10.537 -28.964 1.00 0.00 H new ATOM 0 HB3 GLU A 16 19.615 9.895 -30.379 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.460 7.762 -30.146 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.759 8.260 -28.619 1.00 0.00 H new ATOM 215 N VAL A 17 19.103 9.039 -26.437 1.00 0.00 N ATOM 216 CA VAL A 17 18.791 9.395 -25.058 1.00 0.00 C ATOM 217 C VAL A 17 18.938 10.896 -24.832 1.00 0.00 C ATOM 218 O VAL A 17 19.173 11.345 -23.710 1.00 0.00 O ATOM 219 CB VAL A 17 19.700 8.646 -24.066 1.00 0.00 C ATOM 220 CG1 VAL A 17 21.113 9.208 -24.106 1.00 0.00 C ATOM 221 CG2 VAL A 17 19.127 8.721 -22.659 1.00 0.00 C ATOM 0 H VAL A 17 18.467 8.357 -26.850 1.00 0.00 H new ATOM 0 HA VAL A 17 17.756 9.103 -24.882 1.00 0.00 H new ATOM 0 HB VAL A 17 19.744 7.598 -24.361 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.740 8.666 -23.398 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.520 9.097 -25.111 1.00 0.00 H new ATOM 0 HG13 VAL A 17 21.092 10.264 -23.837 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.782 8.187 -21.971 1.00 0.00 H new ATOM 0 HG22 VAL A 17 19.051 9.764 -22.352 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.137 8.266 -22.645 1.00 0.00 H new ATOM 231 N VAL A 18 18.799 11.667 -25.906 1.00 0.00 N ATOM 232 CA VAL A 18 18.915 13.118 -25.824 1.00 0.00 C ATOM 233 C VAL A 18 17.601 13.796 -26.197 1.00 0.00 C ATOM 234 O VAL A 18 17.204 14.784 -25.580 1.00 0.00 O ATOM 235 CB VAL A 18 20.031 13.644 -26.746 1.00 0.00 C ATOM 236 CG1 VAL A 18 21.396 13.207 -26.236 1.00 0.00 C ATOM 237 CG2 VAL A 18 19.810 13.170 -28.175 1.00 0.00 C ATOM 0 H VAL A 18 18.606 11.311 -26.842 1.00 0.00 H new ATOM 0 HA VAL A 18 19.164 13.358 -24.790 1.00 0.00 H new ATOM 0 HB VAL A 18 19.999 14.734 -26.740 1.00 0.00 H new ATOM 0 HG11 VAL A 18 22.172 13.588 -26.900 1.00 0.00 H new ATOM 0 HG12 VAL A 18 21.552 13.601 -25.232 1.00 0.00 H new ATOM 0 HG13 VAL A 18 21.443 12.118 -26.210 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.608 13.551 -28.812 1.00 0.00 H new ATOM 0 HG22 VAL A 18 19.814 12.080 -28.202 1.00 0.00 H new ATOM 0 HG23 VAL A 18 18.850 13.539 -28.536 1.00 0.00 H new ATOM 247 N TYR A 19 16.931 13.258 -27.210 1.00 0.00 N ATOM 248 CA TYR A 19 15.663 13.812 -27.668 1.00 0.00 C ATOM 249 C TYR A 19 14.499 13.252 -26.856 1.00 0.00 C ATOM 250 O TYR A 19 13.337 13.556 -27.125 1.00 0.00 O ATOM 251 CB TYR A 19 15.456 13.510 -29.153 1.00 0.00 C ATOM 252 CG TYR A 19 16.666 13.814 -30.007 1.00 0.00 C ATOM 253 CD1 TYR A 19 16.908 15.102 -30.469 1.00 0.00 C ATOM 254 CD2 TYR A 19 17.566 12.814 -30.354 1.00 0.00 C ATOM 255 CE1 TYR A 19 18.011 15.385 -31.250 1.00 0.00 C ATOM 256 CE2 TYR A 19 18.673 13.088 -31.133 1.00 0.00 C ATOM 257 CZ TYR A 19 18.891 14.375 -31.579 1.00 0.00 C ATOM 258 OH TYR A 19 19.992 14.652 -32.357 1.00 0.00 O ATOM 0 H TYR A 19 17.245 12.438 -27.730 1.00 0.00 H new ATOM 0 HA TYR A 19 15.695 14.892 -27.526 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.195 12.458 -29.268 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.609 14.090 -29.519 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.222 15.895 -30.213 1.00 0.00 H new ATOM 0 HD2 TYR A 19 17.397 11.805 -30.009 1.00 0.00 H new ATOM 0 HE1 TYR A 19 18.184 16.392 -31.601 1.00 0.00 H new ATOM 0 HE2 TYR A 19 19.364 12.299 -31.391 1.00 0.00 H new ATOM 0 HH TYR A 19 20.510 13.831 -32.495 1.00 0.00 H new ATOM 268 N TRP A 20 14.821 12.432 -25.862 1.00 0.00 N ATOM 269 CA TRP A 20 13.803 11.828 -25.009 1.00 0.00 C ATOM 270 C TRP A 20 12.854 12.888 -24.461 1.00 0.00 C ATOM 271 O TRP A 20 12.996 14.075 -24.757 1.00 0.00 O ATOM 272 CB TRP A 20 14.459 11.068 -23.856 1.00 0.00 C ATOM 273 CG TRP A 20 14.898 9.685 -24.230 1.00 0.00 C ATOM 274 CD1 TRP A 20 14.830 9.110 -25.467 1.00 0.00 C ATOM 275 CD2 TRP A 20 15.471 8.703 -23.360 1.00 0.00 C ATOM 276 NE1 TRP A 20 15.326 7.829 -25.418 1.00 0.00 N ATOM 277 CE2 TRP A 20 15.726 7.556 -24.137 1.00 0.00 C ATOM 278 CE3 TRP A 20 15.794 8.681 -22.000 1.00 0.00 C ATOM 279 CZ2 TRP A 20 16.288 6.402 -23.597 1.00 0.00 C ATOM 280 CZ3 TRP A 20 16.352 7.535 -21.467 1.00 0.00 C ATOM 281 CH2 TRP A 20 16.595 6.408 -22.264 1.00 0.00 C ATOM 0 H TRP A 20 15.778 12.170 -25.627 1.00 0.00 H new ATOM 0 HA TRP A 20 13.226 11.128 -25.614 1.00 0.00 H new ATOM 0 HB2 TRP A 20 15.322 11.632 -23.503 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.757 11.006 -23.025 1.00 0.00 H new ATOM 0 HD1 TRP A 20 14.443 9.591 -26.353 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.386 7.186 -26.208 1.00 0.00 H new ATOM 0 HE3 TRP A 20 15.611 9.544 -21.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.475 5.532 -24.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 16.605 7.507 -20.418 1.00 0.00 H new ATOM 0 HH2 TRP A 20 17.033 5.528 -21.817 1.00 0.00 H new ATOM 292 N SER A 21 11.886 12.453 -23.661 1.00 0.00 N ATOM 293 CA SER A 21 10.911 13.365 -23.074 1.00 0.00 C ATOM 294 C SER A 21 11.127 13.495 -21.569 1.00 0.00 C ATOM 295 O SER A 21 11.849 12.714 -20.950 1.00 0.00 O ATOM 296 CB SER A 21 9.489 12.876 -23.357 1.00 0.00 C ATOM 297 OG SER A 21 8.915 12.283 -22.205 1.00 0.00 O ATOM 0 H SER A 21 11.756 11.474 -23.404 1.00 0.00 H new ATOM 0 HA SER A 21 11.047 14.346 -23.529 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.872 13.712 -23.685 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.505 12.153 -24.172 1.00 0.00 H new ATOM 0 HG SER A 21 8.006 11.980 -22.411 1.00 0.00 H new ATOM 303 N PRO A 22 10.484 14.506 -20.965 1.00 0.00 N ATOM 304 CA PRO A 22 10.589 14.764 -19.526 1.00 0.00 C ATOM 305 C PRO A 22 9.891 13.694 -18.694 1.00 0.00 C ATOM 306 O PRO A 22 10.108 13.592 -17.486 1.00 0.00 O ATOM 307 CB PRO A 22 9.890 16.115 -19.356 1.00 0.00 C ATOM 308 CG PRO A 22 8.942 16.198 -20.502 1.00 0.00 C ATOM 309 CD PRO A 22 9.606 15.475 -21.642 1.00 0.00 C ATOM 0 HA PRO A 22 11.624 14.759 -19.185 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.365 16.172 -18.403 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.606 16.936 -19.374 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.986 15.738 -20.252 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.737 17.236 -20.765 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.877 14.978 -22.282 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.173 16.157 -22.275 1.00 0.00 H new ATOM 317 N LYS A 23 9.052 12.896 -19.346 1.00 0.00 N ATOM 318 CA LYS A 23 8.323 11.832 -18.667 1.00 0.00 C ATOM 319 C LYS A 23 9.044 10.496 -18.818 1.00 0.00 C ATOM 320 O LYS A 23 8.840 9.576 -18.026 1.00 0.00 O ATOM 321 CB LYS A 23 6.902 11.722 -19.226 1.00 0.00 C ATOM 322 CG LYS A 23 5.921 12.690 -18.588 1.00 0.00 C ATOM 323 CD LYS A 23 5.254 12.082 -17.365 1.00 0.00 C ATOM 324 CE LYS A 23 3.927 12.761 -17.060 1.00 0.00 C ATOM 325 NZ LYS A 23 3.088 12.914 -18.280 1.00 0.00 N ATOM 0 H LYS A 23 8.860 12.967 -20.345 1.00 0.00 H new ATOM 0 HA LYS A 23 8.272 12.080 -17.607 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.929 11.901 -20.301 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.541 10.704 -19.081 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.443 13.603 -18.303 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.160 12.972 -19.316 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.090 11.017 -17.530 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.917 12.173 -16.505 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.383 12.178 -16.316 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.113 13.742 -16.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.111 13.140 -18.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.468 13.683 -18.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.098 12.026 -18.822 1.00 0.00 H new ATOM 339 N LYS A 24 9.889 10.397 -19.838 1.00 0.00 N ATOM 340 CA LYS A 24 10.643 9.175 -20.092 1.00 0.00 C ATOM 341 C LYS A 24 11.869 9.095 -19.187 1.00 0.00 C ATOM 342 O LYS A 24 12.061 8.111 -18.472 1.00 0.00 O ATOM 343 CB LYS A 24 11.074 9.113 -21.559 1.00 0.00 C ATOM 344 CG LYS A 24 12.190 8.117 -21.823 1.00 0.00 C ATOM 345 CD LYS A 24 11.828 6.728 -21.324 1.00 0.00 C ATOM 346 CE LYS A 24 12.860 5.696 -21.752 1.00 0.00 C ATOM 347 NZ LYS A 24 13.979 5.592 -20.774 1.00 0.00 N ATOM 0 H LYS A 24 10.069 11.149 -20.503 1.00 0.00 H new ATOM 0 HA LYS A 24 9.996 8.326 -19.874 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.212 8.850 -22.172 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.400 10.104 -21.875 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.398 8.078 -22.892 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.103 8.454 -21.333 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.752 6.739 -20.237 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.848 6.446 -21.709 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.379 4.724 -21.858 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.257 5.964 -22.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.179 4.590 -20.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.828 6.045 -21.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.712 6.069 -19.889 1.00 0.00 H new ATOM 361 N VAL A 25 12.694 10.136 -19.222 1.00 0.00 N ATOM 362 CA VAL A 25 13.900 10.183 -18.404 1.00 0.00 C ATOM 363 C VAL A 25 13.635 9.644 -17.003 1.00 0.00 C ATOM 364 O VAL A 25 14.482 8.973 -16.415 1.00 0.00 O ATOM 365 CB VAL A 25 14.448 11.618 -18.295 1.00 0.00 C ATOM 366 CG1 VAL A 25 15.540 11.694 -17.239 1.00 0.00 C ATOM 367 CG2 VAL A 25 14.966 12.095 -19.644 1.00 0.00 C ATOM 0 H VAL A 25 12.549 10.958 -19.808 1.00 0.00 H new ATOM 0 HA VAL A 25 14.642 9.555 -18.897 1.00 0.00 H new ATOM 0 HB VAL A 25 13.634 12.276 -17.990 1.00 0.00 H new ATOM 0 HG11 VAL A 25 15.915 12.716 -17.176 1.00 0.00 H new ATOM 0 HG12 VAL A 25 15.133 11.397 -16.273 1.00 0.00 H new ATOM 0 HG13 VAL A 25 16.356 11.024 -17.510 1.00 0.00 H new ATOM 0 HG21 VAL A 25 15.349 13.111 -19.548 1.00 0.00 H new ATOM 0 HG22 VAL A 25 15.766 11.436 -19.980 1.00 0.00 H new ATOM 0 HG23 VAL A 25 14.154 12.081 -20.371 1.00 0.00 H new ATOM 377 N ALA A 26 12.453 9.942 -16.474 1.00 0.00 N ATOM 378 CA ALA A 26 12.075 9.485 -15.143 1.00 0.00 C ATOM 379 C ALA A 26 11.964 7.965 -15.095 1.00 0.00 C ATOM 380 O ALA A 26 12.616 7.311 -14.281 1.00 0.00 O ATOM 381 CB ALA A 26 10.761 10.126 -14.718 1.00 0.00 C ATOM 0 H ALA A 26 11.741 10.498 -16.947 1.00 0.00 H new ATOM 0 HA ALA A 26 12.857 9.788 -14.446 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.491 9.776 -13.722 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.873 11.210 -14.703 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.977 9.852 -15.424 1.00 0.00 H new ATOM 387 N ASP A 27 11.134 7.409 -15.971 1.00 0.00 N ATOM 388 CA ASP A 27 10.938 5.965 -16.028 1.00 0.00 C ATOM 389 C ASP A 27 12.278 5.235 -16.049 1.00 0.00 C ATOM 390 O ASP A 27 12.411 4.147 -15.490 1.00 0.00 O ATOM 391 CB ASP A 27 10.119 5.589 -17.263 1.00 0.00 C ATOM 392 CG ASP A 27 8.626 5.640 -17.005 1.00 0.00 C ATOM 393 OD1 ASP A 27 8.216 5.411 -15.848 1.00 0.00 O ATOM 394 OD2 ASP A 27 7.867 5.908 -17.961 1.00 0.00 O ATOM 0 H ASP A 27 10.586 7.936 -16.651 1.00 0.00 H new ATOM 0 HA ASP A 27 10.393 5.661 -15.134 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.367 6.267 -18.080 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.395 4.585 -17.587 1.00 0.00 H new ATOM 399 N TRP A 28 13.265 5.841 -16.698 1.00 0.00 N ATOM 400 CA TRP A 28 14.594 5.248 -16.793 1.00 0.00 C ATOM 401 C TRP A 28 15.268 5.202 -15.426 1.00 0.00 C ATOM 402 O TRP A 28 16.096 4.329 -15.160 1.00 0.00 O ATOM 403 CB TRP A 28 15.460 6.039 -17.775 1.00 0.00 C ATOM 404 CG TRP A 28 16.891 5.594 -17.798 1.00 0.00 C ATOM 405 CD1 TRP A 28 17.401 4.508 -18.449 1.00 0.00 C ATOM 406 CD2 TRP A 28 17.995 6.224 -17.138 1.00 0.00 C ATOM 407 NE1 TRP A 28 18.755 4.424 -18.234 1.00 0.00 N ATOM 408 CE2 TRP A 28 19.144 5.465 -17.434 1.00 0.00 C ATOM 409 CE3 TRP A 28 18.124 7.355 -16.329 1.00 0.00 C ATOM 410 CZ2 TRP A 28 20.404 5.803 -16.947 1.00 0.00 C ATOM 411 CZ3 TRP A 28 19.375 7.689 -15.846 1.00 0.00 C ATOM 412 CH2 TRP A 28 20.502 6.916 -16.157 1.00 0.00 C ATOM 0 H TRP A 28 13.171 6.742 -17.166 1.00 0.00 H new ATOM 0 HA TRP A 28 14.483 4.227 -17.158 1.00 0.00 H new ATOM 0 HB2 TRP A 28 15.041 5.943 -18.777 1.00 0.00 H new ATOM 0 HB3 TRP A 28 15.420 7.096 -17.513 1.00 0.00 H new ATOM 0 HD1 TRP A 28 16.825 3.816 -19.045 1.00 0.00 H new ATOM 0 HE1 TRP A 28 19.371 3.703 -18.609 1.00 0.00 H new ATOM 0 HE3 TRP A 28 17.262 7.958 -16.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 21.273 5.208 -17.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 19.486 8.561 -15.218 1.00 0.00 H new ATOM 0 HH2 TRP A 28 21.466 7.204 -15.766 1.00 0.00 H new ATOM 423 N LEU A 29 14.908 6.144 -14.562 1.00 0.00 N ATOM 424 CA LEU A 29 15.479 6.210 -13.220 1.00 0.00 C ATOM 425 C LEU A 29 14.874 5.140 -12.318 1.00 0.00 C ATOM 426 O LEU A 29 15.592 4.421 -11.621 1.00 0.00 O ATOM 427 CB LEU A 29 15.246 7.595 -12.614 1.00 0.00 C ATOM 428 CG LEU A 29 15.901 8.767 -13.346 1.00 0.00 C ATOM 429 CD1 LEU A 29 15.302 10.087 -12.885 1.00 0.00 C ATOM 430 CD2 LEU A 29 17.407 8.758 -13.128 1.00 0.00 C ATOM 0 H LEU A 29 14.224 6.873 -14.766 1.00 0.00 H new ATOM 0 HA LEU A 29 16.551 6.029 -13.298 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.172 7.774 -12.571 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.609 7.586 -11.586 1.00 0.00 H new ATOM 0 HG LEU A 29 15.708 8.657 -14.413 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.781 10.909 -13.417 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.232 10.094 -13.094 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.463 10.205 -11.814 1.00 0.00 H new ATOM 0 HD21 LEU A 29 17.856 9.599 -13.656 1.00 0.00 H new ATOM 0 HD22 LEU A 29 17.621 8.843 -12.063 1.00 0.00 H new ATOM 0 HD23 LEU A 29 17.824 7.826 -13.509 1.00 0.00 H new ATOM 442 N LEU A 30 13.550 5.037 -12.337 1.00 0.00 N ATOM 443 CA LEU A 30 12.847 4.051 -11.522 1.00 0.00 C ATOM 444 C LEU A 30 13.144 2.635 -12.004 1.00 0.00 C ATOM 445 O LEU A 30 13.169 1.693 -11.213 1.00 0.00 O ATOM 446 CB LEU A 30 11.340 4.310 -11.559 1.00 0.00 C ATOM 447 CG LEU A 30 10.907 5.771 -11.431 1.00 0.00 C ATOM 448 CD1 LEU A 30 9.491 5.955 -11.955 1.00 0.00 C ATOM 449 CD2 LEU A 30 11.007 6.232 -9.985 1.00 0.00 C ATOM 0 H LEU A 30 12.941 5.624 -12.907 1.00 0.00 H new ATOM 0 HA LEU A 30 13.200 4.147 -10.495 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.947 3.916 -12.496 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.874 3.742 -10.754 1.00 0.00 H new ATOM 0 HG LEU A 30 11.578 6.384 -12.033 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.199 7.001 -11.856 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.451 5.665 -13.005 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.806 5.332 -11.380 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.695 7.274 -9.913 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.360 5.615 -9.361 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.038 6.137 -9.643 1.00 0.00 H new ATOM 461 N GLU A 31 13.369 2.494 -13.307 1.00 0.00 N ATOM 462 CA GLU A 31 13.666 1.192 -13.893 1.00 0.00 C ATOM 463 C GLU A 31 14.909 0.579 -13.256 1.00 0.00 C ATOM 464 O GLU A 31 15.092 -0.638 -13.273 1.00 0.00 O ATOM 465 CB GLU A 31 13.866 1.323 -15.405 1.00 0.00 C ATOM 466 CG GLU A 31 13.860 -0.009 -16.137 1.00 0.00 C ATOM 467 CD GLU A 31 12.507 -0.693 -16.092 1.00 0.00 C ATOM 468 OE1 GLU A 31 11.490 -0.011 -16.339 1.00 0.00 O ATOM 469 OE2 GLU A 31 12.466 -1.908 -15.810 1.00 0.00 O ATOM 0 H GLU A 31 13.351 3.264 -13.976 1.00 0.00 H new ATOM 0 HA GLU A 31 12.819 0.534 -13.701 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.079 1.956 -15.814 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.813 1.829 -15.595 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.148 0.150 -17.176 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.610 -0.665 -15.695 1.00 0.00 H new ATOM 476 N ASN A 32 15.761 1.431 -12.694 1.00 0.00 N ATOM 477 CA ASN A 32 16.988 0.973 -12.052 1.00 0.00 C ATOM 478 C ASN A 32 16.974 1.297 -10.561 1.00 0.00 C ATOM 479 O ASN A 32 18.004 1.226 -9.891 1.00 0.00 O ATOM 480 CB ASN A 32 18.206 1.619 -12.714 1.00 0.00 C ATOM 481 CG ASN A 32 18.306 1.287 -14.191 1.00 0.00 C ATOM 482 OD1 ASN A 32 18.589 0.149 -14.564 1.00 0.00 O ATOM 483 ND2 ASN A 32 18.073 2.283 -15.038 1.00 0.00 N ATOM 0 H ASN A 32 15.624 2.442 -12.670 1.00 0.00 H new ATOM 0 HA ASN A 32 17.050 -0.109 -12.171 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.152 2.701 -12.590 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.111 1.285 -12.207 1.00 0.00 H new ATOM 0 HD21 ASN A 32 18.125 2.120 -16.044 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.842 3.211 -14.683 1.00 0.00 H new ATOM 490 N ALA A 33 15.800 1.652 -10.049 1.00 0.00 N ATOM 491 CA ALA A 33 15.651 1.984 -8.637 1.00 0.00 C ATOM 492 C ALA A 33 16.371 3.285 -8.300 1.00 0.00 C ATOM 493 O ALA A 33 17.141 3.350 -7.343 1.00 0.00 O ATOM 494 CB ALA A 33 16.176 0.849 -7.770 1.00 0.00 C ATOM 0 H ALA A 33 14.938 1.717 -10.591 1.00 0.00 H new ATOM 0 HA ALA A 33 14.589 2.123 -8.432 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.059 1.110 -6.718 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.615 -0.061 -7.983 1.00 0.00 H new ATOM 0 HB3 ALA A 33 17.231 0.683 -7.987 1.00 0.00 H new ATOM 500 N MET A 34 16.115 4.320 -9.094 1.00 0.00 N ATOM 501 CA MET A 34 16.739 5.620 -8.879 1.00 0.00 C ATOM 502 C MET A 34 15.686 6.718 -8.770 1.00 0.00 C ATOM 503 O MET A 34 15.773 7.762 -9.417 1.00 0.00 O ATOM 504 CB MET A 34 17.708 5.939 -10.020 1.00 0.00 C ATOM 505 CG MET A 34 18.703 4.825 -10.302 1.00 0.00 C ATOM 506 SD MET A 34 20.268 5.439 -10.953 1.00 0.00 S ATOM 507 CE MET A 34 19.880 5.571 -12.697 1.00 0.00 C ATOM 0 H MET A 34 15.480 4.283 -9.891 1.00 0.00 H new ATOM 0 HA MET A 34 17.293 5.578 -7.941 1.00 0.00 H new ATOM 0 HB2 MET A 34 17.136 6.142 -10.925 1.00 0.00 H new ATOM 0 HB3 MET A 34 18.255 6.850 -9.777 1.00 0.00 H new ATOM 0 HG2 MET A 34 18.889 4.269 -9.383 1.00 0.00 H new ATOM 0 HG3 MET A 34 18.267 4.126 -11.015 1.00 0.00 H new ATOM 0 HE1 MET A 34 20.617 6.207 -13.187 1.00 0.00 H new ATOM 0 HE2 MET A 34 19.898 4.580 -13.150 1.00 0.00 H new ATOM 0 HE3 MET A 34 18.888 6.007 -12.817 1.00 0.00 H new ATOM 517 N PRO A 35 14.666 6.479 -7.932 1.00 0.00 N ATOM 518 CA PRO A 35 13.576 7.436 -7.718 1.00 0.00 C ATOM 519 C PRO A 35 14.035 8.678 -6.963 1.00 0.00 C ATOM 520 O PRO A 35 13.309 9.668 -6.879 1.00 0.00 O ATOM 521 CB PRO A 35 12.567 6.644 -6.883 1.00 0.00 C ATOM 522 CG PRO A 35 13.382 5.611 -6.185 1.00 0.00 C ATOM 523 CD PRO A 35 14.499 5.257 -7.127 1.00 0.00 C ATOM 0 HA PRO A 35 13.171 7.809 -8.659 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.050 7.288 -6.171 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.804 6.187 -7.513 1.00 0.00 H new ATOM 0 HG2 PRO A 35 13.773 5.994 -5.243 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.780 4.734 -5.947 1.00 0.00 H new ATOM 0 HD2 PRO A 35 15.412 5.002 -6.590 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.244 4.398 -7.748 1.00 0.00 H new ATOM 531 N GLU A 36 15.244 8.619 -6.414 1.00 0.00 N ATOM 532 CA GLU A 36 15.798 9.740 -5.664 1.00 0.00 C ATOM 533 C GLU A 36 16.238 10.859 -6.603 1.00 0.00 C ATOM 534 O GLU A 36 16.318 12.022 -6.206 1.00 0.00 O ATOM 535 CB GLU A 36 16.983 9.278 -4.813 1.00 0.00 C ATOM 536 CG GLU A 36 18.067 8.573 -5.612 1.00 0.00 C ATOM 537 CD GLU A 36 17.837 7.077 -5.714 1.00 0.00 C ATOM 538 OE1 GLU A 36 16.705 6.630 -5.433 1.00 0.00 O ATOM 539 OE2 GLU A 36 18.789 6.355 -6.076 1.00 0.00 O ATOM 0 H GLU A 36 15.858 7.807 -6.474 1.00 0.00 H new ATOM 0 HA GLU A 36 15.017 10.126 -5.008 1.00 0.00 H new ATOM 0 HB2 GLU A 36 17.418 10.142 -4.310 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.621 8.606 -4.035 1.00 0.00 H new ATOM 0 HG2 GLU A 36 18.110 8.999 -6.614 1.00 0.00 H new ATOM 0 HG3 GLU A 36 19.035 8.757 -5.146 1.00 0.00 H new ATOM 546 N TYR A 37 16.522 10.499 -7.850 1.00 0.00 N ATOM 547 CA TYR A 37 16.958 11.471 -8.845 1.00 0.00 C ATOM 548 C TYR A 37 15.779 11.957 -9.684 1.00 0.00 C ATOM 549 O TYR A 37 15.898 12.918 -10.444 1.00 0.00 O ATOM 550 CB TYR A 37 18.026 10.860 -9.753 1.00 0.00 C ATOM 551 CG TYR A 37 19.354 10.641 -9.062 1.00 0.00 C ATOM 552 CD1 TYR A 37 20.135 11.716 -8.659 1.00 0.00 C ATOM 553 CD2 TYR A 37 19.825 9.358 -8.813 1.00 0.00 C ATOM 554 CE1 TYR A 37 21.349 11.520 -8.029 1.00 0.00 C ATOM 555 CE2 TYR A 37 21.037 9.153 -8.182 1.00 0.00 C ATOM 556 CZ TYR A 37 21.795 10.237 -7.792 1.00 0.00 C ATOM 557 OH TYR A 37 23.003 10.038 -7.163 1.00 0.00 O ATOM 0 H TYR A 37 16.458 9.541 -8.195 1.00 0.00 H new ATOM 0 HA TYR A 37 17.384 12.325 -8.319 1.00 0.00 H new ATOM 0 HB2 TYR A 37 17.663 9.906 -10.136 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.176 11.512 -10.613 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.788 12.722 -8.841 1.00 0.00 H new ATOM 0 HD2 TYR A 37 19.234 8.507 -9.118 1.00 0.00 H new ATOM 0 HE1 TYR A 37 21.945 12.367 -7.724 1.00 0.00 H new ATOM 0 HE2 TYR A 37 21.389 8.149 -7.995 1.00 0.00 H new ATOM 0 HH TYR A 37 23.170 9.077 -7.072 1.00 0.00 H new ATOM 567 N CYS A 38 14.643 11.285 -9.540 1.00 0.00 N ATOM 568 CA CYS A 38 13.441 11.646 -10.284 1.00 0.00 C ATOM 569 C CYS A 38 13.013 13.075 -9.965 1.00 0.00 C ATOM 570 O CYS A 38 12.620 13.828 -10.856 1.00 0.00 O ATOM 571 CB CYS A 38 12.304 10.676 -9.959 1.00 0.00 C ATOM 572 SG CYS A 38 11.048 10.551 -11.253 1.00 0.00 S ATOM 0 H CYS A 38 14.528 10.487 -8.915 1.00 0.00 H new ATOM 0 HA CYS A 38 13.670 11.583 -11.348 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.725 9.687 -9.779 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.825 10.992 -9.032 1.00 0.00 H new ATOM 0 HG CYS A 38 10.130 9.706 -10.887 1.00 0.00 H new ATOM 578 N GLU A 39 13.092 13.440 -8.690 1.00 0.00 N ATOM 579 CA GLU A 39 12.711 14.779 -8.254 1.00 0.00 C ATOM 580 C GLU A 39 13.454 15.844 -9.055 1.00 0.00 C ATOM 581 O GLU A 39 12.855 16.683 -9.727 1.00 0.00 O ATOM 582 CB GLU A 39 12.998 14.955 -6.762 1.00 0.00 C ATOM 583 CG GLU A 39 11.803 14.653 -5.873 1.00 0.00 C ATOM 584 CD GLU A 39 12.180 14.537 -4.408 1.00 0.00 C ATOM 585 OE1 GLU A 39 12.973 13.634 -4.069 1.00 0.00 O ATOM 586 OE2 GLU A 39 11.682 15.350 -3.602 1.00 0.00 O ATOM 0 H GLU A 39 13.416 12.828 -7.941 1.00 0.00 H new ATOM 0 HA GLU A 39 11.642 14.899 -8.427 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.824 14.302 -6.480 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.325 15.979 -6.582 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.059 15.440 -5.991 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.338 13.723 -6.199 1.00 0.00 H new ATOM 593 N PRO A 40 14.793 15.810 -8.983 1.00 0.00 N ATOM 594 CA PRO A 40 15.649 16.765 -9.695 1.00 0.00 C ATOM 595 C PRO A 40 15.627 16.549 -11.204 1.00 0.00 C ATOM 596 O PRO A 40 15.920 17.462 -11.976 1.00 0.00 O ATOM 597 CB PRO A 40 17.044 16.478 -9.133 1.00 0.00 C ATOM 598 CG PRO A 40 16.984 15.061 -8.676 1.00 0.00 C ATOM 599 CD PRO A 40 15.575 14.838 -8.201 1.00 0.00 C ATOM 0 HA PRO A 40 15.320 17.794 -9.551 1.00 0.00 H new ATOM 0 HB2 PRO A 40 17.813 16.617 -9.893 1.00 0.00 H new ATOM 0 HB3 PRO A 40 17.285 17.150 -8.309 1.00 0.00 H new ATOM 0 HG2 PRO A 40 17.235 14.378 -9.488 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.699 14.879 -7.874 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.246 13.816 -8.386 1.00 0.00 H new ATOM 0 HD3 PRO A 40 15.480 15.015 -7.130 1.00 0.00 H new ATOM 607 N LEU A 41 15.279 15.335 -11.618 1.00 0.00 N ATOM 608 CA LEU A 41 15.220 14.999 -13.037 1.00 0.00 C ATOM 609 C LEU A 41 13.775 14.933 -13.521 1.00 0.00 C ATOM 610 O LEU A 41 13.494 14.398 -14.593 1.00 0.00 O ATOM 611 CB LEU A 41 15.918 13.662 -13.293 1.00 0.00 C ATOM 612 CG LEU A 41 17.360 13.551 -12.796 1.00 0.00 C ATOM 613 CD1 LEU A 41 17.845 12.113 -12.882 1.00 0.00 C ATOM 614 CD2 LEU A 41 18.271 14.472 -13.594 1.00 0.00 C ATOM 0 H LEU A 41 15.034 14.568 -10.992 1.00 0.00 H new ATOM 0 HA LEU A 41 15.734 15.783 -13.593 1.00 0.00 H new ATOM 0 HB2 LEU A 41 15.331 12.873 -12.823 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.909 13.470 -14.366 1.00 0.00 H new ATOM 0 HG LEU A 41 17.389 13.860 -11.751 1.00 0.00 H new ATOM 0 HD11 LEU A 41 18.873 12.054 -12.524 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.209 11.477 -12.266 1.00 0.00 H new ATOM 0 HD13 LEU A 41 17.801 11.776 -13.918 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.293 14.380 -13.227 1.00 0.00 H new ATOM 0 HD22 LEU A 41 18.237 14.194 -14.647 1.00 0.00 H new ATOM 0 HD23 LEU A 41 17.936 15.503 -13.480 1.00 0.00 H new ATOM 626 N GLU A 42 12.863 15.481 -12.724 1.00 0.00 N ATOM 627 CA GLU A 42 11.448 15.484 -13.072 1.00 0.00 C ATOM 628 C GLU A 42 11.225 16.134 -14.435 1.00 0.00 C ATOM 629 O GLU A 42 10.552 15.572 -15.300 1.00 0.00 O ATOM 630 CB GLU A 42 10.638 16.223 -12.005 1.00 0.00 C ATOM 631 CG GLU A 42 11.165 17.614 -11.696 1.00 0.00 C ATOM 632 CD GLU A 42 10.770 18.094 -10.312 1.00 0.00 C ATOM 633 OE1 GLU A 42 9.644 17.779 -9.874 1.00 0.00 O ATOM 634 OE2 GLU A 42 11.587 18.784 -9.668 1.00 0.00 O ATOM 0 H GLU A 42 13.079 15.928 -11.833 1.00 0.00 H new ATOM 0 HA GLU A 42 11.111 14.449 -13.121 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.603 16.301 -12.336 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.636 15.633 -11.089 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.252 17.614 -11.780 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.788 18.315 -12.441 1.00 0.00 H new ATOM 641 N HIS A 43 11.794 17.321 -14.619 1.00 0.00 N ATOM 642 CA HIS A 43 11.658 18.048 -15.876 1.00 0.00 C ATOM 643 C HIS A 43 12.947 17.976 -16.688 1.00 0.00 C ATOM 644 O HIS A 43 13.266 18.890 -17.449 1.00 0.00 O ATOM 645 CB HIS A 43 11.291 19.508 -15.607 1.00 0.00 C ATOM 646 CG HIS A 43 10.151 19.673 -14.650 1.00 0.00 C ATOM 647 ND1 HIS A 43 10.153 20.601 -13.630 1.00 0.00 N ATOM 648 CD2 HIS A 43 8.967 19.023 -14.563 1.00 0.00 C ATOM 649 CE1 HIS A 43 9.021 20.514 -12.956 1.00 0.00 C ATOM 650 NE2 HIS A 43 8.283 19.564 -13.502 1.00 0.00 N ATOM 0 H HIS A 43 12.354 17.800 -13.913 1.00 0.00 H new ATOM 0 HA HIS A 43 10.860 17.581 -16.453 1.00 0.00 H new ATOM 0 HB2 HIS A 43 12.164 20.027 -15.212 1.00 0.00 H new ATOM 0 HB3 HIS A 43 11.035 19.989 -16.551 1.00 0.00 H new ATOM 0 HD2 HIS A 43 8.624 18.227 -15.208 1.00 0.00 H new ATOM 0 HE1 HIS A 43 8.745 21.117 -12.103 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.356 19.279 -13.187 1.00 0.00 H new ATOM 658 N PHE A 44 13.686 16.884 -16.520 1.00 0.00 N ATOM 659 CA PHE A 44 14.942 16.694 -17.235 1.00 0.00 C ATOM 660 C PHE A 44 14.723 15.895 -18.517 1.00 0.00 C ATOM 661 O PHE A 44 13.907 14.973 -18.556 1.00 0.00 O ATOM 662 CB PHE A 44 15.959 15.979 -16.343 1.00 0.00 C ATOM 663 CG PHE A 44 16.832 16.917 -15.559 1.00 0.00 C ATOM 664 CD1 PHE A 44 16.279 17.802 -14.648 1.00 0.00 C ATOM 665 CD2 PHE A 44 18.207 16.914 -15.734 1.00 0.00 C ATOM 666 CE1 PHE A 44 17.080 18.666 -13.926 1.00 0.00 C ATOM 667 CE2 PHE A 44 19.014 17.775 -15.015 1.00 0.00 C ATOM 668 CZ PHE A 44 18.449 18.652 -14.109 1.00 0.00 C ATOM 0 H PHE A 44 13.436 16.118 -15.895 1.00 0.00 H new ATOM 0 HA PHE A 44 15.331 17.677 -17.502 1.00 0.00 H new ATOM 0 HB2 PHE A 44 15.428 15.326 -15.651 1.00 0.00 H new ATOM 0 HB3 PHE A 44 16.589 15.341 -16.963 1.00 0.00 H new ATOM 0 HD1 PHE A 44 15.209 17.817 -14.500 1.00 0.00 H new ATOM 0 HD2 PHE A 44 18.653 16.230 -16.441 1.00 0.00 H new ATOM 0 HE1 PHE A 44 16.636 19.352 -13.219 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.084 17.762 -15.161 1.00 0.00 H new ATOM 0 HZ PHE A 44 19.077 19.326 -13.545 1.00 0.00 H new ATOM 678 N THR A 45 15.458 16.255 -19.565 1.00 0.00 N ATOM 679 CA THR A 45 15.343 15.574 -20.848 1.00 0.00 C ATOM 680 C THR A 45 16.583 14.736 -21.139 1.00 0.00 C ATOM 681 O THR A 45 17.695 15.106 -20.765 1.00 0.00 O ATOM 682 CB THR A 45 15.133 16.577 -21.999 1.00 0.00 C ATOM 683 OG1 THR A 45 16.129 17.604 -21.942 1.00 0.00 O ATOM 684 CG2 THR A 45 13.748 17.202 -21.926 1.00 0.00 C ATOM 0 H THR A 45 16.139 17.014 -19.550 1.00 0.00 H new ATOM 0 HA THR A 45 14.473 14.920 -20.782 1.00 0.00 H new ATOM 0 HB THR A 45 15.222 16.038 -22.942 1.00 0.00 H new ATOM 0 HG1 THR A 45 15.989 18.236 -22.678 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.623 17.906 -22.748 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.992 16.420 -21.999 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.636 17.728 -20.978 1.00 0.00 H new ATOM 692 N GLY A 46 16.383 13.606 -21.810 1.00 0.00 N ATOM 693 CA GLY A 46 17.495 12.733 -22.140 1.00 0.00 C ATOM 694 C GLY A 46 18.775 13.500 -22.409 1.00 0.00 C ATOM 695 O GLY A 46 19.863 13.043 -22.062 1.00 0.00 O ATOM 0 H GLY A 46 15.472 13.279 -22.131 1.00 0.00 H new ATOM 0 HA2 GLY A 46 17.660 12.034 -21.320 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.239 12.140 -23.018 1.00 0.00 H new ATOM 699 N GLN A 47 18.643 14.668 -23.030 1.00 0.00 N ATOM 700 CA GLN A 47 19.799 15.498 -23.347 1.00 0.00 C ATOM 701 C GLN A 47 20.395 16.107 -22.083 1.00 0.00 C ATOM 702 O GLN A 47 21.610 16.080 -21.882 1.00 0.00 O ATOM 703 CB GLN A 47 19.405 16.606 -24.325 1.00 0.00 C ATOM 704 CG GLN A 47 20.574 17.469 -24.770 1.00 0.00 C ATOM 705 CD GLN A 47 21.318 16.879 -25.952 1.00 0.00 C ATOM 706 OE1 GLN A 47 20.903 17.032 -27.101 1.00 0.00 O ATOM 707 NE2 GLN A 47 22.425 16.199 -25.676 1.00 0.00 N ATOM 0 H GLN A 47 17.748 15.060 -23.323 1.00 0.00 H new ATOM 0 HA GLN A 47 20.553 14.864 -23.813 1.00 0.00 H new ATOM 0 HB2 GLN A 47 18.941 16.156 -25.203 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.653 17.241 -23.857 1.00 0.00 H new ATOM 0 HG2 GLN A 47 20.208 18.461 -25.034 1.00 0.00 H new ATOM 0 HG3 GLN A 47 21.265 17.595 -23.937 1.00 0.00 H new ATOM 0 HE21 GLN A 47 22.733 16.097 -24.709 1.00 0.00 H new ATOM 0 HE22 GLN A 47 22.967 15.779 -26.431 1.00 0.00 H new ATOM 716 N ASP A 48 19.534 16.656 -21.234 1.00 0.00 N ATOM 717 CA ASP A 48 19.975 17.271 -19.987 1.00 0.00 C ATOM 718 C ASP A 48 20.465 16.214 -19.003 1.00 0.00 C ATOM 719 O ASP A 48 21.385 16.457 -18.221 1.00 0.00 O ATOM 720 CB ASP A 48 18.837 18.080 -19.362 1.00 0.00 C ATOM 721 CG ASP A 48 18.657 19.432 -20.022 1.00 0.00 C ATOM 722 OD1 ASP A 48 19.399 20.371 -19.665 1.00 0.00 O ATOM 723 OD2 ASP A 48 17.773 19.552 -20.896 1.00 0.00 O ATOM 0 H ASP A 48 18.526 16.688 -21.386 1.00 0.00 H new ATOM 0 HA ASP A 48 20.804 17.941 -20.214 1.00 0.00 H new ATOM 0 HB2 ASP A 48 17.908 17.515 -19.440 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.036 18.221 -18.300 1.00 0.00 H new ATOM 728 N LEU A 49 19.846 15.040 -19.047 1.00 0.00 N ATOM 729 CA LEU A 49 20.219 13.944 -18.159 1.00 0.00 C ATOM 730 C LEU A 49 21.642 13.474 -18.443 1.00 0.00 C ATOM 731 O LEU A 49 22.456 13.342 -17.528 1.00 0.00 O ATOM 732 CB LEU A 49 19.243 12.777 -18.319 1.00 0.00 C ATOM 733 CG LEU A 49 19.641 11.470 -17.634 1.00 0.00 C ATOM 734 CD1 LEU A 49 18.408 10.719 -17.158 1.00 0.00 C ATOM 735 CD2 LEU A 49 20.465 10.604 -18.576 1.00 0.00 C ATOM 0 H LEU A 49 19.083 14.822 -19.688 1.00 0.00 H new ATOM 0 HA LEU A 49 20.174 14.309 -17.133 1.00 0.00 H new ATOM 0 HB2 LEU A 49 18.272 13.086 -17.931 1.00 0.00 H new ATOM 0 HB3 LEU A 49 19.114 12.581 -19.383 1.00 0.00 H new ATOM 0 HG LEU A 49 20.253 11.710 -16.764 1.00 0.00 H new ATOM 0 HD11 LEU A 49 18.712 9.791 -16.673 1.00 0.00 H new ATOM 0 HD12 LEU A 49 17.858 11.336 -16.448 1.00 0.00 H new ATOM 0 HD13 LEU A 49 17.769 10.490 -18.011 1.00 0.00 H new ATOM 0 HD21 LEU A 49 20.740 9.677 -18.072 1.00 0.00 H new ATOM 0 HD22 LEU A 49 19.878 10.373 -19.465 1.00 0.00 H new ATOM 0 HD23 LEU A 49 21.368 11.140 -18.867 1.00 0.00 H new ATOM 747 N ILE A 50 21.935 13.225 -19.714 1.00 0.00 N ATOM 748 CA ILE A 50 23.261 12.774 -20.118 1.00 0.00 C ATOM 749 C ILE A 50 24.297 13.878 -19.932 1.00 0.00 C ATOM 750 O ILE A 50 25.498 13.615 -19.893 1.00 0.00 O ATOM 751 CB ILE A 50 23.276 12.314 -21.587 1.00 0.00 C ATOM 752 CG1 ILE A 50 23.092 13.511 -22.522 1.00 0.00 C ATOM 753 CG2 ILE A 50 22.191 11.275 -21.828 1.00 0.00 C ATOM 754 CD1 ILE A 50 23.828 13.371 -23.836 1.00 0.00 C ATOM 0 H ILE A 50 21.272 13.328 -20.482 1.00 0.00 H new ATOM 0 HA ILE A 50 23.515 11.928 -19.479 1.00 0.00 H new ATOM 0 HB ILE A 50 24.243 11.857 -21.799 1.00 0.00 H new ATOM 0 HG12 ILE A 50 22.029 13.645 -22.723 1.00 0.00 H new ATOM 0 HG13 ILE A 50 23.437 14.413 -22.016 1.00 0.00 H new ATOM 0 HG21 ILE A 50 22.214 10.960 -22.871 1.00 0.00 H new ATOM 0 HG22 ILE A 50 22.364 10.413 -21.184 1.00 0.00 H new ATOM 0 HG23 ILE A 50 21.216 11.707 -21.601 1.00 0.00 H new ATOM 0 HD11 ILE A 50 23.652 14.256 -24.448 1.00 0.00 H new ATOM 0 HD12 ILE A 50 24.896 13.268 -23.646 1.00 0.00 H new ATOM 0 HD13 ILE A 50 23.467 12.488 -24.363 1.00 0.00 H new ATOM 766 N ASN A 51 23.823 15.114 -19.817 1.00 0.00 N ATOM 767 CA ASN A 51 24.708 16.259 -19.635 1.00 0.00 C ATOM 768 C ASN A 51 25.032 16.466 -18.158 1.00 0.00 C ATOM 769 O ASN A 51 25.504 17.531 -17.758 1.00 0.00 O ATOM 770 CB ASN A 51 24.066 17.523 -20.209 1.00 0.00 C ATOM 771 CG ASN A 51 24.052 17.526 -21.726 1.00 0.00 C ATOM 772 OD1 ASN A 51 24.813 16.801 -22.366 1.00 0.00 O ATOM 773 ND2 ASN A 51 23.184 18.346 -22.308 1.00 0.00 N ATOM 0 H ASN A 51 22.831 15.349 -19.847 1.00 0.00 H new ATOM 0 HA ASN A 51 25.637 16.057 -20.168 1.00 0.00 H new ATOM 0 HB2 ASN A 51 23.044 17.609 -19.839 1.00 0.00 H new ATOM 0 HB3 ASN A 51 24.609 18.398 -19.852 1.00 0.00 H new ATOM 0 HD21 ASN A 51 23.129 18.392 -23.325 1.00 0.00 H new ATOM 0 HD22 ASN A 51 22.572 18.929 -21.737 1.00 0.00 H new ATOM 780 N LEU A 52 24.778 15.441 -17.353 1.00 0.00 N ATOM 781 CA LEU A 52 25.044 15.509 -15.920 1.00 0.00 C ATOM 782 C LEU A 52 26.461 15.038 -15.606 1.00 0.00 C ATOM 783 O LEU A 52 26.918 14.019 -16.125 1.00 0.00 O ATOM 784 CB LEU A 52 24.030 14.659 -15.152 1.00 0.00 C ATOM 785 CG LEU A 52 22.602 15.203 -15.098 1.00 0.00 C ATOM 786 CD1 LEU A 52 21.725 14.313 -14.231 1.00 0.00 C ATOM 787 CD2 LEU A 52 22.595 16.632 -14.577 1.00 0.00 C ATOM 0 H LEU A 52 24.388 14.553 -17.668 1.00 0.00 H new ATOM 0 HA LEU A 52 24.949 16.549 -15.607 1.00 0.00 H new ATOM 0 HB2 LEU A 52 24.003 13.667 -15.602 1.00 0.00 H new ATOM 0 HB3 LEU A 52 24.389 14.536 -14.130 1.00 0.00 H new ATOM 0 HG LEU A 52 22.195 15.205 -16.109 1.00 0.00 H new ATOM 0 HD11 LEU A 52 20.712 14.715 -14.204 1.00 0.00 H new ATOM 0 HD12 LEU A 52 21.704 13.306 -14.647 1.00 0.00 H new ATOM 0 HD13 LEU A 52 22.129 14.279 -13.219 1.00 0.00 H new ATOM 0 HD21 LEU A 52 21.570 17.003 -14.545 1.00 0.00 H new ATOM 0 HD22 LEU A 52 23.021 16.656 -13.574 1.00 0.00 H new ATOM 0 HD23 LEU A 52 23.189 17.263 -15.238 1.00 0.00 H new ATOM 799 N THR A 53 27.152 15.787 -14.752 1.00 0.00 N ATOM 800 CA THR A 53 28.515 15.446 -14.367 1.00 0.00 C ATOM 801 C THR A 53 28.708 15.568 -12.859 1.00 0.00 C ATOM 802 O THR A 53 27.951 16.263 -12.183 1.00 0.00 O ATOM 803 CB THR A 53 29.542 16.346 -15.079 1.00 0.00 C ATOM 804 OG1 THR A 53 29.239 17.724 -14.832 1.00 0.00 O ATOM 805 CG2 THR A 53 29.546 16.083 -16.577 1.00 0.00 C ATOM 0 H THR A 53 26.789 16.634 -14.314 1.00 0.00 H new ATOM 0 HA THR A 53 28.679 14.411 -14.669 1.00 0.00 H new ATOM 0 HB THR A 53 30.531 16.115 -14.684 1.00 0.00 H new ATOM 0 HG1 THR A 53 29.897 18.290 -15.287 1.00 0.00 H new ATOM 0 HG21 THR A 53 30.279 16.730 -17.058 1.00 0.00 H new ATOM 0 HG22 THR A 53 29.805 15.041 -16.763 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.557 16.289 -16.985 1.00 0.00 H new ATOM 813 N GLN A 54 29.726 14.889 -12.340 1.00 0.00 N ATOM 814 CA GLN A 54 30.017 14.923 -10.912 1.00 0.00 C ATOM 815 C GLN A 54 29.985 16.353 -10.384 1.00 0.00 C ATOM 816 O GLN A 54 29.692 16.585 -9.211 1.00 0.00 O ATOM 817 CB GLN A 54 31.383 14.293 -10.634 1.00 0.00 C ATOM 818 CG GLN A 54 31.592 13.912 -9.177 1.00 0.00 C ATOM 819 CD GLN A 54 32.895 13.173 -8.948 1.00 0.00 C ATOM 820 OE1 GLN A 54 33.966 13.779 -8.901 1.00 0.00 O ATOM 821 NE2 GLN A 54 32.812 11.856 -8.804 1.00 0.00 N ATOM 0 H GLN A 54 30.363 14.309 -12.887 1.00 0.00 H new ATOM 0 HA GLN A 54 29.248 14.348 -10.396 1.00 0.00 H new ATOM 0 HB2 GLN A 54 31.496 13.403 -11.253 1.00 0.00 H new ATOM 0 HB3 GLN A 54 32.164 14.992 -10.934 1.00 0.00 H new ATOM 0 HG2 GLN A 54 31.577 14.813 -8.564 1.00 0.00 H new ATOM 0 HG3 GLN A 54 30.762 13.288 -8.846 1.00 0.00 H new ATOM 0 HE21 GLN A 54 31.904 11.394 -8.850 1.00 0.00 H new ATOM 0 HE22 GLN A 54 33.657 11.306 -8.647 1.00 0.00 H new ATOM 830 N GLU A 55 30.290 17.308 -11.257 1.00 0.00 N ATOM 831 CA GLU A 55 30.296 18.716 -10.877 1.00 0.00 C ATOM 832 C GLU A 55 28.878 19.213 -10.610 1.00 0.00 C ATOM 833 O GLU A 55 28.651 20.018 -9.706 1.00 0.00 O ATOM 834 CB GLU A 55 30.946 19.561 -11.974 1.00 0.00 C ATOM 835 CG GLU A 55 32.296 19.032 -12.430 1.00 0.00 C ATOM 836 CD GLU A 55 33.237 18.761 -11.272 1.00 0.00 C ATOM 837 OE1 GLU A 55 33.004 17.779 -10.536 1.00 0.00 O ATOM 838 OE2 GLU A 55 34.206 19.530 -11.101 1.00 0.00 O ATOM 0 H GLU A 55 30.536 17.133 -12.231 1.00 0.00 H new ATOM 0 HA GLU A 55 30.877 18.816 -9.960 1.00 0.00 H new ATOM 0 HB2 GLU A 55 30.275 19.607 -12.831 1.00 0.00 H new ATOM 0 HB3 GLU A 55 31.069 20.581 -11.610 1.00 0.00 H new ATOM 0 HG2 GLU A 55 32.149 18.113 -12.997 1.00 0.00 H new ATOM 0 HG3 GLU A 55 32.755 19.753 -13.106 1.00 0.00 H new ATOM 845 N ASP A 56 27.928 18.728 -11.402 1.00 0.00 N ATOM 846 CA ASP A 56 26.532 19.122 -11.252 1.00 0.00 C ATOM 847 C ASP A 56 25.982 18.670 -9.903 1.00 0.00 C ATOM 848 O ASP A 56 25.089 19.304 -9.341 1.00 0.00 O ATOM 849 CB ASP A 56 25.690 18.534 -12.384 1.00 0.00 C ATOM 850 CG ASP A 56 25.983 19.183 -13.722 1.00 0.00 C ATOM 851 OD1 ASP A 56 27.100 19.716 -13.890 1.00 0.00 O ATOM 852 OD2 ASP A 56 25.096 19.159 -14.601 1.00 0.00 O ATOM 0 H ASP A 56 28.099 18.061 -12.155 1.00 0.00 H new ATOM 0 HA ASP A 56 26.480 20.210 -11.299 1.00 0.00 H new ATOM 0 HB2 ASP A 56 25.879 17.463 -12.454 1.00 0.00 H new ATOM 0 HB3 ASP A 56 24.633 18.657 -12.148 1.00 0.00 H new ATOM 857 N PHE A 57 26.520 17.568 -9.390 1.00 0.00 N ATOM 858 CA PHE A 57 26.082 17.030 -8.107 1.00 0.00 C ATOM 859 C PHE A 57 26.445 17.977 -6.967 1.00 0.00 C ATOM 860 O PHE A 57 25.668 18.168 -6.032 1.00 0.00 O ATOM 861 CB PHE A 57 26.712 15.656 -7.865 1.00 0.00 C ATOM 862 CG PHE A 57 26.098 14.561 -8.689 1.00 0.00 C ATOM 863 CD1 PHE A 57 26.413 14.427 -10.032 1.00 0.00 C ATOM 864 CD2 PHE A 57 25.206 13.666 -8.122 1.00 0.00 C ATOM 865 CE1 PHE A 57 25.849 13.421 -10.793 1.00 0.00 C ATOM 866 CE2 PHE A 57 24.639 12.657 -8.878 1.00 0.00 C ATOM 867 CZ PHE A 57 24.962 12.534 -10.215 1.00 0.00 C ATOM 0 H PHE A 57 27.259 17.031 -9.843 1.00 0.00 H new ATOM 0 HA PHE A 57 24.997 16.925 -8.136 1.00 0.00 H new ATOM 0 HB2 PHE A 57 27.778 15.710 -8.085 1.00 0.00 H new ATOM 0 HB3 PHE A 57 26.616 15.402 -6.809 1.00 0.00 H new ATOM 0 HD1 PHE A 57 27.107 15.117 -10.489 1.00 0.00 H new ATOM 0 HD2 PHE A 57 24.950 13.757 -7.077 1.00 0.00 H new ATOM 0 HE1 PHE A 57 26.102 13.328 -11.839 1.00 0.00 H new ATOM 0 HE2 PHE A 57 23.944 11.966 -8.424 1.00 0.00 H new ATOM 0 HZ PHE A 57 24.522 11.746 -10.808 1.00 0.00 H new ATOM 877 N LYS A 58 27.633 18.566 -7.051 1.00 0.00 N ATOM 878 CA LYS A 58 28.102 19.494 -6.029 1.00 0.00 C ATOM 879 C LYS A 58 27.060 20.575 -5.757 1.00 0.00 C ATOM 880 O LYS A 58 26.957 21.086 -4.642 1.00 0.00 O ATOM 881 CB LYS A 58 29.420 20.139 -6.462 1.00 0.00 C ATOM 882 CG LYS A 58 30.427 19.148 -7.020 1.00 0.00 C ATOM 883 CD LYS A 58 31.843 19.698 -6.959 1.00 0.00 C ATOM 884 CE LYS A 58 32.876 18.604 -7.181 1.00 0.00 C ATOM 885 NZ LYS A 58 33.182 17.868 -5.923 1.00 0.00 N ATOM 0 H LYS A 58 28.289 18.417 -7.817 1.00 0.00 H new ATOM 0 HA LYS A 58 28.265 18.931 -5.110 1.00 0.00 H new ATOM 0 HB2 LYS A 58 29.213 20.898 -7.217 1.00 0.00 H new ATOM 0 HB3 LYS A 58 29.862 20.651 -5.608 1.00 0.00 H new ATOM 0 HG2 LYS A 58 30.373 18.217 -6.457 1.00 0.00 H new ATOM 0 HG3 LYS A 58 30.172 18.911 -8.053 1.00 0.00 H new ATOM 0 HD2 LYS A 58 31.966 20.474 -7.714 1.00 0.00 H new ATOM 0 HD3 LYS A 58 32.011 20.167 -5.989 1.00 0.00 H new ATOM 0 HE2 LYS A 58 32.508 17.904 -7.931 1.00 0.00 H new ATOM 0 HE3 LYS A 58 33.792 19.044 -7.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 33.890 17.131 -6.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 33.557 18.531 -5.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 32.313 17.427 -5.559 1.00 0.00 H new ATOM 899 N LYS A 59 26.289 20.919 -6.783 1.00 0.00 N ATOM 900 CA LYS A 59 25.253 21.937 -6.655 1.00 0.00 C ATOM 901 C LYS A 59 23.880 21.361 -6.987 1.00 0.00 C ATOM 902 O LYS A 59 23.757 20.300 -7.600 1.00 0.00 O ATOM 903 CB LYS A 59 25.557 23.122 -7.574 1.00 0.00 C ATOM 904 CG LYS A 59 26.405 22.754 -8.779 1.00 0.00 C ATOM 905 CD LYS A 59 26.395 23.856 -9.825 1.00 0.00 C ATOM 906 CE LYS A 59 26.785 23.327 -11.197 1.00 0.00 C ATOM 907 NZ LYS A 59 26.728 24.390 -12.239 1.00 0.00 N ATOM 0 H LYS A 59 26.362 20.507 -7.713 1.00 0.00 H new ATOM 0 HA LYS A 59 25.243 22.281 -5.621 1.00 0.00 H new ATOM 0 HB2 LYS A 59 24.618 23.554 -7.919 1.00 0.00 H new ATOM 0 HB3 LYS A 59 26.071 23.894 -7.001 1.00 0.00 H new ATOM 0 HG2 LYS A 59 27.430 22.564 -8.460 1.00 0.00 H new ATOM 0 HG3 LYS A 59 26.031 21.830 -9.219 1.00 0.00 H new ATOM 0 HD2 LYS A 59 25.402 24.302 -9.875 1.00 0.00 H new ATOM 0 HD3 LYS A 59 27.085 24.646 -9.529 1.00 0.00 H new ATOM 0 HE2 LYS A 59 27.793 22.915 -11.154 1.00 0.00 H new ATOM 0 HE3 LYS A 59 26.118 22.511 -11.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 27.001 23.989 -13.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 25.760 24.766 -12.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 27.383 25.158 -11.988 1.00 0.00 H new ATOM 921 N PRO A 60 22.822 22.076 -6.577 1.00 0.00 N ATOM 922 CA PRO A 60 21.439 21.656 -6.822 1.00 0.00 C ATOM 923 C PRO A 60 21.057 21.753 -8.295 1.00 0.00 C ATOM 924 O PRO A 60 21.759 22.360 -9.105 1.00 0.00 O ATOM 925 CB PRO A 60 20.616 22.643 -5.990 1.00 0.00 C ATOM 926 CG PRO A 60 21.478 23.852 -5.875 1.00 0.00 C ATOM 927 CD PRO A 60 22.895 23.350 -5.842 1.00 0.00 C ATOM 0 HA PRO A 60 21.276 20.612 -6.554 1.00 0.00 H new ATOM 0 HB2 PRO A 60 19.669 22.877 -6.476 1.00 0.00 H new ATOM 0 HB3 PRO A 60 20.378 22.232 -5.009 1.00 0.00 H new ATOM 0 HG2 PRO A 60 21.322 24.524 -6.719 1.00 0.00 H new ATOM 0 HG3 PRO A 60 21.242 24.415 -4.972 1.00 0.00 H new ATOM 0 HD2 PRO A 60 23.581 24.050 -6.319 1.00 0.00 H new ATOM 0 HD3 PRO A 60 23.246 23.205 -4.820 1.00 0.00 H new ATOM 935 N PRO A 61 19.917 21.143 -8.653 1.00 0.00 N ATOM 936 CA PRO A 61 19.075 20.417 -7.698 1.00 0.00 C ATOM 937 C PRO A 61 19.727 19.128 -7.212 1.00 0.00 C ATOM 938 O PRO A 61 19.517 18.703 -6.075 1.00 0.00 O ATOM 939 CB PRO A 61 17.812 20.106 -8.505 1.00 0.00 C ATOM 940 CG PRO A 61 18.262 20.096 -9.925 1.00 0.00 C ATOM 941 CD PRO A 61 19.364 21.114 -10.017 1.00 0.00 C ATOM 0 HA PRO A 61 18.889 20.998 -6.795 1.00 0.00 H new ATOM 0 HB2 PRO A 61 17.386 19.145 -8.218 1.00 0.00 H new ATOM 0 HB3 PRO A 61 17.041 20.859 -8.339 1.00 0.00 H new ATOM 0 HG2 PRO A 61 18.619 19.108 -10.214 1.00 0.00 H new ATOM 0 HG3 PRO A 61 17.441 20.348 -10.596 1.00 0.00 H new ATOM 0 HD2 PRO A 61 20.117 20.825 -10.750 1.00 0.00 H new ATOM 0 HD3 PRO A 61 18.985 22.091 -10.318 1.00 0.00 H new ATOM 949 N LEU A 62 20.521 18.509 -8.080 1.00 0.00 N ATOM 950 CA LEU A 62 21.206 17.267 -7.738 1.00 0.00 C ATOM 951 C LEU A 62 22.285 17.512 -6.687 1.00 0.00 C ATOM 952 O LEU A 62 23.380 17.977 -7.004 1.00 0.00 O ATOM 953 CB LEU A 62 21.829 16.645 -8.989 1.00 0.00 C ATOM 954 CG LEU A 62 20.887 16.437 -10.175 1.00 0.00 C ATOM 955 CD1 LEU A 62 21.651 16.536 -11.486 1.00 0.00 C ATOM 956 CD2 LEU A 62 20.182 15.092 -10.066 1.00 0.00 C ATOM 0 H LEU A 62 20.706 18.847 -9.025 1.00 0.00 H new ATOM 0 HA LEU A 62 20.471 16.577 -7.324 1.00 0.00 H new ATOM 0 HB2 LEU A 62 22.654 17.279 -9.313 1.00 0.00 H new ATOM 0 HB3 LEU A 62 22.256 15.680 -8.716 1.00 0.00 H new ATOM 0 HG LEU A 62 20.132 17.223 -10.158 1.00 0.00 H new ATOM 0 HD11 LEU A 62 20.965 16.385 -12.319 1.00 0.00 H new ATOM 0 HD12 LEU A 62 22.109 17.522 -11.567 1.00 0.00 H new ATOM 0 HD13 LEU A 62 22.428 15.772 -11.513 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.515 14.960 -10.918 1.00 0.00 H new ATOM 0 HD22 LEU A 62 20.923 14.292 -10.058 1.00 0.00 H new ATOM 0 HD23 LEU A 62 19.602 15.059 -9.144 1.00 0.00 H new ATOM 968 N TYR A 63 21.968 17.195 -5.437 1.00 0.00 N ATOM 969 CA TYR A 63 22.909 17.381 -4.339 1.00 0.00 C ATOM 970 C TYR A 63 22.634 16.390 -3.212 1.00 0.00 C ATOM 971 O TYR A 63 21.518 16.311 -2.698 1.00 0.00 O ATOM 972 CB TYR A 63 22.828 18.812 -3.806 1.00 0.00 C ATOM 973 CG TYR A 63 23.838 19.113 -2.722 1.00 0.00 C ATOM 974 CD1 TYR A 63 25.193 19.212 -3.015 1.00 0.00 C ATOM 975 CD2 TYR A 63 23.438 19.297 -1.404 1.00 0.00 C ATOM 976 CE1 TYR A 63 26.119 19.485 -2.028 1.00 0.00 C ATOM 977 CE2 TYR A 63 24.358 19.573 -0.411 1.00 0.00 C ATOM 978 CZ TYR A 63 25.697 19.666 -0.727 1.00 0.00 C ATOM 979 OH TYR A 63 26.616 19.939 0.260 1.00 0.00 O ATOM 0 H TYR A 63 21.066 16.808 -5.159 1.00 0.00 H new ATOM 0 HA TYR A 63 23.914 17.200 -4.721 1.00 0.00 H new ATOM 0 HB2 TYR A 63 22.976 19.507 -4.632 1.00 0.00 H new ATOM 0 HB3 TYR A 63 21.826 18.989 -3.416 1.00 0.00 H new ATOM 0 HD1 TYR A 63 25.527 19.073 -4.032 1.00 0.00 H new ATOM 0 HD2 TYR A 63 22.390 19.223 -1.152 1.00 0.00 H new ATOM 0 HE1 TYR A 63 27.168 19.557 -2.273 1.00 0.00 H new ATOM 0 HE2 TYR A 63 24.030 19.715 0.608 1.00 0.00 H new ATOM 0 HH TYR A 63 26.154 20.039 1.118 1.00 0.00 H new ATOM 989 N ARG A 64 23.661 15.636 -2.832 1.00 0.00 N ATOM 990 CA ARG A 64 23.530 14.648 -1.768 1.00 0.00 C ATOM 991 C ARG A 64 22.325 13.744 -2.009 1.00 0.00 C ATOM 992 O ARG A 64 21.712 13.245 -1.066 1.00 0.00 O ATOM 993 CB ARG A 64 23.396 15.344 -0.412 1.00 0.00 C ATOM 994 CG ARG A 64 24.548 16.283 -0.092 1.00 0.00 C ATOM 995 CD ARG A 64 24.679 16.515 1.405 1.00 0.00 C ATOM 996 NE ARG A 64 25.507 15.497 2.046 1.00 0.00 N ATOM 997 CZ ARG A 64 26.835 15.512 2.026 1.00 0.00 C ATOM 998 NH1 ARG A 64 27.482 16.485 1.401 1.00 0.00 N ATOM 999 NH2 ARG A 64 27.520 14.550 2.633 1.00 0.00 N ATOM 0 H ARG A 64 24.592 15.691 -3.245 1.00 0.00 H new ATOM 0 HA ARG A 64 24.429 14.032 -1.766 1.00 0.00 H new ATOM 0 HB2 ARG A 64 22.463 15.908 -0.393 1.00 0.00 H new ATOM 0 HB3 ARG A 64 23.327 14.588 0.370 1.00 0.00 H new ATOM 0 HG2 ARG A 64 25.477 15.865 -0.479 1.00 0.00 H new ATOM 0 HG3 ARG A 64 24.392 17.237 -0.597 1.00 0.00 H new ATOM 0 HD2 ARG A 64 25.112 17.499 1.583 1.00 0.00 H new ATOM 0 HD3 ARG A 64 23.688 16.516 1.860 1.00 0.00 H new ATOM 0 HE ARG A 64 25.040 14.733 2.535 1.00 0.00 H new ATOM 0 HH11 ARG A 64 26.960 17.226 0.933 1.00 0.00 H new ATOM 0 HH12 ARG A 64 28.502 16.493 1.388 1.00 0.00 H new ATOM 0 HH21 ARG A 64 27.026 13.799 3.115 1.00 0.00 H new ATOM 0 HH22 ARG A 64 28.540 14.562 2.617 1.00 0.00 H new ATOM 1013 N VAL A 65 21.991 13.538 -3.279 1.00 0.00 N ATOM 1014 CA VAL A 65 20.861 12.693 -3.645 1.00 0.00 C ATOM 1015 C VAL A 65 20.995 11.302 -3.036 1.00 0.00 C ATOM 1016 O VAL A 65 20.008 10.704 -2.607 1.00 0.00 O ATOM 1017 CB VAL A 65 20.731 12.561 -5.174 1.00 0.00 C ATOM 1018 CG1 VAL A 65 19.521 11.713 -5.536 1.00 0.00 C ATOM 1019 CG2 VAL A 65 20.641 13.935 -5.821 1.00 0.00 C ATOM 0 H VAL A 65 22.487 13.945 -4.072 1.00 0.00 H new ATOM 0 HA VAL A 65 19.966 13.174 -3.252 1.00 0.00 H new ATOM 0 HB VAL A 65 21.622 12.062 -5.555 1.00 0.00 H new ATOM 0 HG11 VAL A 65 19.445 11.631 -6.620 1.00 0.00 H new ATOM 0 HG12 VAL A 65 19.631 10.719 -5.104 1.00 0.00 H new ATOM 0 HG13 VAL A 65 18.618 12.181 -5.144 1.00 0.00 H new ATOM 0 HG21 VAL A 65 20.550 13.823 -6.901 1.00 0.00 H new ATOM 0 HG22 VAL A 65 19.768 14.462 -5.436 1.00 0.00 H new ATOM 0 HG23 VAL A 65 21.541 14.506 -5.590 1.00 0.00 H new ATOM 1029 N SER A 66 22.222 10.793 -3.000 1.00 0.00 N ATOM 1030 CA SER A 66 22.485 9.470 -2.446 1.00 0.00 C ATOM 1031 C SER A 66 23.786 9.464 -1.648 1.00 0.00 C ATOM 1032 O SER A 66 24.517 10.454 -1.625 1.00 0.00 O ATOM 1033 CB SER A 66 22.556 8.430 -3.566 1.00 0.00 C ATOM 1034 OG SER A 66 23.068 7.199 -3.086 1.00 0.00 O ATOM 0 H SER A 66 23.050 11.277 -3.348 1.00 0.00 H new ATOM 0 HA SER A 66 21.666 9.215 -1.774 1.00 0.00 H new ATOM 0 HB2 SER A 66 21.562 8.275 -3.986 1.00 0.00 H new ATOM 0 HB3 SER A 66 23.189 8.801 -4.372 1.00 0.00 H new ATOM 0 HG SER A 66 23.102 6.550 -3.820 1.00 0.00 H new ATOM 1040 N SER A 67 24.067 8.341 -0.995 1.00 0.00 N ATOM 1041 CA SER A 67 25.278 8.206 -0.194 1.00 0.00 C ATOM 1042 C SER A 67 26.409 7.599 -1.017 1.00 0.00 C ATOM 1043 O SER A 67 27.277 6.907 -0.484 1.00 0.00 O ATOM 1044 CB SER A 67 25.005 7.339 1.037 1.00 0.00 C ATOM 1045 OG SER A 67 25.888 7.665 2.096 1.00 0.00 O ATOM 0 H SER A 67 23.473 7.512 -1.005 1.00 0.00 H new ATOM 0 HA SER A 67 25.583 9.201 0.131 1.00 0.00 H new ATOM 0 HB2 SER A 67 23.974 7.479 1.363 1.00 0.00 H new ATOM 0 HB3 SER A 67 25.117 6.287 0.777 1.00 0.00 H new ATOM 0 HG SER A 67 25.692 7.098 2.871 1.00 0.00 H new ATOM 1051 N ASP A 68 26.393 7.863 -2.319 1.00 0.00 N ATOM 1052 CA ASP A 68 27.418 7.344 -3.217 1.00 0.00 C ATOM 1053 C ASP A 68 28.113 8.480 -3.961 1.00 0.00 C ATOM 1054 O ASP A 68 28.654 8.283 -5.048 1.00 0.00 O ATOM 1055 CB ASP A 68 26.802 6.365 -4.218 1.00 0.00 C ATOM 1056 CG ASP A 68 26.564 4.995 -3.614 1.00 0.00 C ATOM 1057 OD1 ASP A 68 27.547 4.359 -3.181 1.00 0.00 O ATOM 1058 OD2 ASP A 68 25.394 4.557 -3.577 1.00 0.00 O ATOM 0 H ASP A 68 25.681 8.433 -2.776 1.00 0.00 H new ATOM 0 HA ASP A 68 28.160 6.818 -2.616 1.00 0.00 H new ATOM 0 HB2 ASP A 68 25.857 6.768 -4.582 1.00 0.00 H new ATOM 0 HB3 ASP A 68 27.461 6.269 -5.081 1.00 0.00 H new ATOM 1063 N ASN A 69 28.093 9.669 -3.368 1.00 0.00 N ATOM 1064 CA ASN A 69 28.719 10.838 -3.976 1.00 0.00 C ATOM 1065 C ASN A 69 28.278 10.997 -5.427 1.00 0.00 C ATOM 1066 O ASN A 69 29.087 11.301 -6.303 1.00 0.00 O ATOM 1067 CB ASN A 69 30.243 10.721 -3.904 1.00 0.00 C ATOM 1068 CG ASN A 69 30.744 10.556 -2.482 1.00 0.00 C ATOM 1069 OD1 ASN A 69 30.326 11.279 -1.577 1.00 0.00 O ATOM 1070 ND2 ASN A 69 31.644 9.601 -2.279 1.00 0.00 N ATOM 0 H ASN A 69 27.650 9.849 -2.467 1.00 0.00 H new ATOM 0 HA ASN A 69 28.402 11.720 -3.420 1.00 0.00 H new ATOM 0 HB2 ASN A 69 30.568 9.869 -4.502 1.00 0.00 H new ATOM 0 HB3 ASN A 69 30.694 11.610 -4.344 1.00 0.00 H new ATOM 0 HD21 ASN A 69 32.017 9.443 -1.343 1.00 0.00 H new ATOM 0 HD22 ASN A 69 31.962 9.026 -3.059 1.00 0.00 H new ATOM 1077 N GLY A 70 26.988 10.790 -5.675 1.00 0.00 N ATOM 1078 CA GLY A 70 26.462 10.916 -7.021 1.00 0.00 C ATOM 1079 C GLY A 70 27.160 9.999 -8.005 1.00 0.00 C ATOM 1080 O GLY A 70 27.322 10.342 -9.176 1.00 0.00 O ATOM 0 H GLY A 70 26.298 10.537 -4.967 1.00 0.00 H new ATOM 0 HA2 GLY A 70 25.395 10.691 -7.013 1.00 0.00 H new ATOM 0 HA3 GLY A 70 26.568 11.949 -7.354 1.00 0.00 H new ATOM 1084 N GLN A 71 27.576 8.830 -7.529 1.00 0.00 N ATOM 1085 CA GLN A 71 28.264 7.862 -8.375 1.00 0.00 C ATOM 1086 C GLN A 71 27.265 6.963 -9.097 1.00 0.00 C ATOM 1087 O GLN A 71 27.232 6.917 -10.327 1.00 0.00 O ATOM 1088 CB GLN A 71 29.221 7.011 -7.539 1.00 0.00 C ATOM 1089 CG GLN A 71 29.752 5.791 -8.275 1.00 0.00 C ATOM 1090 CD GLN A 71 30.727 6.153 -9.377 1.00 0.00 C ATOM 1091 OE1 GLN A 71 31.564 7.042 -9.215 1.00 0.00 O ATOM 1092 NE2 GLN A 71 30.625 5.464 -10.508 1.00 0.00 N ATOM 0 H GLN A 71 27.449 8.530 -6.562 1.00 0.00 H new ATOM 0 HA GLN A 71 28.836 8.412 -9.122 1.00 0.00 H new ATOM 0 HB2 GLN A 71 30.062 7.629 -7.223 1.00 0.00 H new ATOM 0 HB3 GLN A 71 28.708 6.684 -6.635 1.00 0.00 H new ATOM 0 HG2 GLN A 71 30.244 5.128 -7.563 1.00 0.00 H new ATOM 0 HG3 GLN A 71 28.916 5.237 -8.702 1.00 0.00 H new ATOM 0 HE21 GLN A 71 29.917 4.736 -10.599 1.00 0.00 H new ATOM 0 HE22 GLN A 71 31.255 5.663 -11.285 1.00 0.00 H new ATOM 1101 N ARG A 72 26.452 6.250 -8.324 1.00 0.00 N ATOM 1102 CA ARG A 72 25.454 5.350 -8.890 1.00 0.00 C ATOM 1103 C ARG A 72 24.869 5.927 -10.176 1.00 0.00 C ATOM 1104 O ARG A 72 24.862 5.270 -11.217 1.00 0.00 O ATOM 1105 CB ARG A 72 24.336 5.094 -7.878 1.00 0.00 C ATOM 1106 CG ARG A 72 23.285 4.111 -8.368 1.00 0.00 C ATOM 1107 CD ARG A 72 22.554 3.452 -7.209 1.00 0.00 C ATOM 1108 NE ARG A 72 23.266 2.279 -6.709 1.00 0.00 N ATOM 1109 CZ ARG A 72 23.020 1.716 -5.531 1.00 0.00 C ATOM 1110 NH1 ARG A 72 22.084 2.217 -4.736 1.00 0.00 N ATOM 1111 NH2 ARG A 72 23.709 0.650 -5.147 1.00 0.00 N ATOM 0 H ARG A 72 26.465 6.278 -7.304 1.00 0.00 H new ATOM 0 HA ARG A 72 25.944 4.406 -9.126 1.00 0.00 H new ATOM 0 HB2 ARG A 72 24.773 4.715 -6.954 1.00 0.00 H new ATOM 0 HB3 ARG A 72 23.852 6.040 -7.637 1.00 0.00 H new ATOM 0 HG2 ARG A 72 22.568 4.631 -9.003 1.00 0.00 H new ATOM 0 HG3 ARG A 72 23.760 3.346 -8.982 1.00 0.00 H new ATOM 0 HD2 ARG A 72 22.431 4.173 -6.401 1.00 0.00 H new ATOM 0 HD3 ARG A 72 21.554 3.160 -7.530 1.00 0.00 H new ATOM 0 HE ARG A 72 23.992 1.869 -7.297 1.00 0.00 H new ATOM 0 HH11 ARG A 72 21.551 3.036 -5.029 1.00 0.00 H new ATOM 0 HH12 ARG A 72 21.897 1.783 -3.832 1.00 0.00 H new ATOM 0 HH21 ARG A 72 24.429 0.261 -5.756 1.00 0.00 H new ATOM 0 HH22 ARG A 72 23.519 0.219 -4.242 1.00 0.00 H new ATOM 1125 N LEU A 73 24.378 7.159 -10.095 1.00 0.00 N ATOM 1126 CA LEU A 73 23.788 7.825 -11.252 1.00 0.00 C ATOM 1127 C LEU A 73 24.834 8.056 -12.338 1.00 0.00 C ATOM 1128 O LEU A 73 24.683 7.591 -13.469 1.00 0.00 O ATOM 1129 CB LEU A 73 23.166 9.158 -10.835 1.00 0.00 C ATOM 1130 CG LEU A 73 22.335 9.873 -11.901 1.00 0.00 C ATOM 1131 CD1 LEU A 73 21.159 9.010 -12.329 1.00 0.00 C ATOM 1132 CD2 LEU A 73 21.850 11.220 -11.384 1.00 0.00 C ATOM 0 H LEU A 73 24.377 7.717 -9.241 1.00 0.00 H new ATOM 0 HA LEU A 73 23.009 7.178 -11.655 1.00 0.00 H new ATOM 0 HB2 LEU A 73 22.533 8.984 -9.965 1.00 0.00 H new ATOM 0 HB3 LEU A 73 23.967 9.826 -10.518 1.00 0.00 H new ATOM 0 HG LEU A 73 22.968 10.046 -12.772 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.579 9.535 -13.088 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.528 8.070 -12.740 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.525 8.805 -11.466 1.00 0.00 H new ATOM 0 HD21 LEU A 73 21.260 11.715 -12.156 1.00 0.00 H new ATOM 0 HD22 LEU A 73 21.234 11.069 -10.497 1.00 0.00 H new ATOM 0 HD23 LEU A 73 22.708 11.842 -11.128 1.00 0.00 H new ATOM 1144 N LEU A 74 25.895 8.774 -11.988 1.00 0.00 N ATOM 1145 CA LEU A 74 26.967 9.066 -12.933 1.00 0.00 C ATOM 1146 C LEU A 74 27.325 7.829 -13.749 1.00 0.00 C ATOM 1147 O LEU A 74 27.590 7.919 -14.948 1.00 0.00 O ATOM 1148 CB LEU A 74 28.203 9.577 -12.190 1.00 0.00 C ATOM 1149 CG LEU A 74 28.220 11.071 -11.863 1.00 0.00 C ATOM 1150 CD1 LEU A 74 29.508 11.445 -11.146 1.00 0.00 C ATOM 1151 CD2 LEU A 74 28.053 11.896 -13.130 1.00 0.00 C ATOM 0 H LEU A 74 26.036 9.165 -11.057 1.00 0.00 H new ATOM 0 HA LEU A 74 26.616 9.840 -13.616 1.00 0.00 H new ATOM 0 HB2 LEU A 74 28.298 9.020 -11.258 1.00 0.00 H new ATOM 0 HB3 LEU A 74 29.084 9.347 -12.790 1.00 0.00 H new ATOM 0 HG LEU A 74 27.383 11.288 -11.200 1.00 0.00 H new ATOM 0 HD11 LEU A 74 29.503 12.512 -10.921 1.00 0.00 H new ATOM 0 HD12 LEU A 74 29.585 10.879 -10.218 1.00 0.00 H new ATOM 0 HD13 LEU A 74 30.360 11.213 -11.784 1.00 0.00 H new ATOM 0 HD21 LEU A 74 28.067 12.956 -12.878 1.00 0.00 H new ATOM 0 HD22 LEU A 74 28.869 11.675 -13.818 1.00 0.00 H new ATOM 0 HD23 LEU A 74 27.103 11.648 -13.603 1.00 0.00 H new ATOM 1163 N ASP A 75 27.330 6.674 -13.092 1.00 0.00 N ATOM 1164 CA ASP A 75 27.652 5.417 -13.758 1.00 0.00 C ATOM 1165 C ASP A 75 26.514 4.981 -14.675 1.00 0.00 C ATOM 1166 O ASP A 75 26.747 4.495 -15.781 1.00 0.00 O ATOM 1167 CB ASP A 75 27.937 4.327 -12.724 1.00 0.00 C ATOM 1168 CG ASP A 75 28.927 3.295 -13.228 1.00 0.00 C ATOM 1169 OD1 ASP A 75 29.806 3.661 -14.037 1.00 0.00 O ATOM 1170 OD2 ASP A 75 28.824 2.122 -12.813 1.00 0.00 O ATOM 0 H ASP A 75 27.115 6.582 -12.099 1.00 0.00 H new ATOM 0 HA ASP A 75 28.544 5.573 -14.365 1.00 0.00 H new ATOM 0 HB2 ASP A 75 28.326 4.786 -11.815 1.00 0.00 H new ATOM 0 HB3 ASP A 75 27.004 3.831 -12.457 1.00 0.00 H new ATOM 1175 N MET A 76 25.283 5.156 -14.206 1.00 0.00 N ATOM 1176 CA MET A 76 24.108 4.781 -14.985 1.00 0.00 C ATOM 1177 C MET A 76 23.978 5.655 -16.228 1.00 0.00 C ATOM 1178 O MET A 76 23.471 5.212 -17.259 1.00 0.00 O ATOM 1179 CB MET A 76 22.845 4.897 -14.130 1.00 0.00 C ATOM 1180 CG MET A 76 22.704 3.789 -13.099 1.00 0.00 C ATOM 1181 SD MET A 76 22.805 2.144 -13.830 1.00 0.00 S ATOM 1182 CE MET A 76 21.428 2.196 -14.973 1.00 0.00 C ATOM 0 H MET A 76 25.073 5.555 -13.291 1.00 0.00 H new ATOM 0 HA MET A 76 24.229 3.745 -15.303 1.00 0.00 H new ATOM 0 HB2 MET A 76 22.850 5.859 -13.618 1.00 0.00 H new ATOM 0 HB3 MET A 76 21.972 4.888 -14.783 1.00 0.00 H new ATOM 0 HG2 MET A 76 23.485 3.897 -12.346 1.00 0.00 H new ATOM 0 HG3 MET A 76 21.749 3.896 -12.585 1.00 0.00 H new ATOM 0 HE1 MET A 76 21.020 1.193 -15.097 1.00 0.00 H new ATOM 0 HE2 MET A 76 20.655 2.857 -14.581 1.00 0.00 H new ATOM 0 HE3 MET A 76 21.770 2.570 -15.938 1.00 0.00 H new ATOM 1192 N ILE A 77 24.438 6.897 -16.123 1.00 0.00 N ATOM 1193 CA ILE A 77 24.373 7.832 -17.239 1.00 0.00 C ATOM 1194 C ILE A 77 25.557 7.647 -18.182 1.00 0.00 C ATOM 1195 O ILE A 77 25.397 7.637 -19.402 1.00 0.00 O ATOM 1196 CB ILE A 77 24.344 9.292 -16.750 1.00 0.00 C ATOM 1197 CG1 ILE A 77 23.184 9.503 -15.775 1.00 0.00 C ATOM 1198 CG2 ILE A 77 24.231 10.245 -17.931 1.00 0.00 C ATOM 1199 CD1 ILE A 77 23.128 10.900 -15.196 1.00 0.00 C ATOM 0 H ILE A 77 24.860 7.279 -15.276 1.00 0.00 H new ATOM 0 HA ILE A 77 23.448 7.619 -17.775 1.00 0.00 H new ATOM 0 HB ILE A 77 25.277 9.503 -16.227 1.00 0.00 H new ATOM 0 HG12 ILE A 77 22.246 9.293 -16.288 1.00 0.00 H new ATOM 0 HG13 ILE A 77 23.269 8.784 -14.960 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.212 11.273 -17.569 1.00 0.00 H new ATOM 0 HG22 ILE A 77 25.087 10.109 -18.591 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.313 10.037 -18.480 1.00 0.00 H new ATOM 0 HD11 ILE A 77 22.281 10.977 -14.514 1.00 0.00 H new ATOM 0 HD12 ILE A 77 24.051 11.106 -14.654 1.00 0.00 H new ATOM 0 HD13 ILE A 77 23.011 11.624 -16.003 1.00 0.00 H new ATOM 1211 N GLU A 78 26.747 7.499 -17.606 1.00 0.00 N ATOM 1212 CA GLU A 78 27.958 7.311 -18.396 1.00 0.00 C ATOM 1213 C GLU A 78 27.713 6.339 -19.547 1.00 0.00 C ATOM 1214 O GLU A 78 28.149 6.571 -20.675 1.00 0.00 O ATOM 1215 CB GLU A 78 29.095 6.794 -17.512 1.00 0.00 C ATOM 1216 CG GLU A 78 30.473 7.239 -17.970 1.00 0.00 C ATOM 1217 CD GLU A 78 31.051 6.337 -19.043 1.00 0.00 C ATOM 1218 OE1 GLU A 78 30.261 5.685 -19.757 1.00 0.00 O ATOM 1219 OE2 GLU A 78 32.293 6.282 -19.168 1.00 0.00 O ATOM 0 H GLU A 78 26.897 7.506 -16.597 1.00 0.00 H new ATOM 0 HA GLU A 78 28.241 8.277 -18.813 1.00 0.00 H new ATOM 0 HB2 GLU A 78 28.933 7.136 -16.490 1.00 0.00 H new ATOM 0 HB3 GLU A 78 29.062 5.705 -17.493 1.00 0.00 H new ATOM 0 HG2 GLU A 78 30.413 8.258 -18.351 1.00 0.00 H new ATOM 0 HG3 GLU A 78 31.148 7.258 -17.114 1.00 0.00 H new ATOM 1226 N THR A 79 27.010 5.249 -19.254 1.00 0.00 N ATOM 1227 CA THR A 79 26.707 4.241 -20.262 1.00 0.00 C ATOM 1228 C THR A 79 25.795 4.805 -21.346 1.00 0.00 C ATOM 1229 O THR A 79 25.872 4.403 -22.507 1.00 0.00 O ATOM 1230 CB THR A 79 26.037 3.004 -19.636 1.00 0.00 C ATOM 1231 OG1 THR A 79 26.234 1.862 -20.476 1.00 0.00 O ATOM 1232 CG2 THR A 79 24.548 3.239 -19.433 1.00 0.00 C ATOM 0 H THR A 79 26.640 5.042 -18.326 1.00 0.00 H new ATOM 0 HA THR A 79 27.656 3.944 -20.707 1.00 0.00 H new ATOM 0 HB THR A 79 26.496 2.823 -18.664 1.00 0.00 H new ATOM 0 HG1 THR A 79 25.806 1.079 -20.070 1.00 0.00 H new ATOM 0 HG21 THR A 79 24.097 2.351 -18.990 1.00 0.00 H new ATOM 0 HG22 THR A 79 24.401 4.091 -18.769 1.00 0.00 H new ATOM 0 HG23 THR A 79 24.077 3.443 -20.395 1.00 0.00 H new ATOM 1240 N LEU A 80 24.932 5.739 -20.960 1.00 0.00 N ATOM 1241 CA LEU A 80 24.005 6.359 -21.900 1.00 0.00 C ATOM 1242 C LEU A 80 24.756 7.178 -22.945 1.00 0.00 C ATOM 1243 O LEU A 80 24.306 7.313 -24.083 1.00 0.00 O ATOM 1244 CB LEU A 80 23.012 7.251 -21.153 1.00 0.00 C ATOM 1245 CG LEU A 80 22.060 6.538 -20.193 1.00 0.00 C ATOM 1246 CD1 LEU A 80 20.960 7.482 -19.732 1.00 0.00 C ATOM 1247 CD2 LEU A 80 21.463 5.303 -20.852 1.00 0.00 C ATOM 0 H LEU A 80 24.855 6.083 -20.003 1.00 0.00 H new ATOM 0 HA LEU A 80 23.459 5.566 -22.411 1.00 0.00 H new ATOM 0 HB2 LEU A 80 23.575 7.994 -20.589 1.00 0.00 H new ATOM 0 HB3 LEU A 80 22.417 7.792 -21.888 1.00 0.00 H new ATOM 0 HG LEU A 80 22.628 6.220 -19.319 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.292 6.957 -19.049 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.404 8.336 -19.220 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.394 7.831 -20.596 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.788 4.808 -20.154 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.910 5.598 -21.744 1.00 0.00 H new ATOM 0 HD23 LEU A 80 22.263 4.617 -21.131 1.00 0.00 H new ATOM 1259 N LYS A 81 25.903 7.721 -22.552 1.00 0.00 N ATOM 1260 CA LYS A 81 26.718 8.525 -23.454 1.00 0.00 C ATOM 1261 C LYS A 81 27.602 7.637 -24.325 1.00 0.00 C ATOM 1262 O LYS A 81 27.500 7.657 -25.551 1.00 0.00 O ATOM 1263 CB LYS A 81 27.586 9.501 -22.657 1.00 0.00 C ATOM 1264 CG LYS A 81 26.816 10.688 -22.106 1.00 0.00 C ATOM 1265 CD LYS A 81 26.315 10.422 -20.696 1.00 0.00 C ATOM 1266 CE LYS A 81 27.387 10.719 -19.658 1.00 0.00 C ATOM 1267 NZ LYS A 81 27.853 12.131 -19.731 1.00 0.00 N ATOM 0 H LYS A 81 26.289 7.619 -21.614 1.00 0.00 H new ATOM 0 HA LYS A 81 26.048 9.090 -24.103 1.00 0.00 H new ATOM 0 HB2 LYS A 81 28.054 8.966 -21.830 1.00 0.00 H new ATOM 0 HB3 LYS A 81 28.390 9.865 -23.297 1.00 0.00 H new ATOM 0 HG2 LYS A 81 27.457 11.570 -22.105 1.00 0.00 H new ATOM 0 HG3 LYS A 81 25.971 10.909 -22.758 1.00 0.00 H new ATOM 0 HD2 LYS A 81 25.436 11.036 -20.499 1.00 0.00 H new ATOM 0 HD3 LYS A 81 26.002 9.381 -20.610 1.00 0.00 H new ATOM 0 HE2 LYS A 81 26.994 10.517 -18.662 1.00 0.00 H new ATOM 0 HE3 LYS A 81 28.233 10.049 -19.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 28.216 12.425 -18.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 28.610 12.210 -20.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 27.059 12.745 -20.003 1.00 0.00 H new ATOM 1281 N MET A 82 28.467 6.859 -23.683 1.00 0.00 N ATOM 1282 CA MET A 82 29.367 5.963 -24.400 1.00 0.00 C ATOM 1283 C MET A 82 28.686 5.384 -25.636 1.00 0.00 C ATOM 1284 O MET A 82 29.313 5.227 -26.684 1.00 0.00 O ATOM 1285 CB MET A 82 29.833 4.831 -23.482 1.00 0.00 C ATOM 1286 CG MET A 82 28.881 3.647 -23.447 1.00 0.00 C ATOM 1287 SD MET A 82 29.579 2.220 -22.595 1.00 0.00 S ATOM 1288 CE MET A 82 29.843 2.898 -20.958 1.00 0.00 C ATOM 0 H MET A 82 28.564 6.831 -22.668 1.00 0.00 H new ATOM 0 HA MET A 82 30.234 6.540 -24.721 1.00 0.00 H new ATOM 0 HB2 MET A 82 30.814 4.488 -23.810 1.00 0.00 H new ATOM 0 HB3 MET A 82 29.953 5.220 -22.471 1.00 0.00 H new ATOM 0 HG2 MET A 82 27.956 3.944 -22.953 1.00 0.00 H new ATOM 0 HG3 MET A 82 28.621 3.365 -24.467 1.00 0.00 H new ATOM 0 HE1 MET A 82 30.910 2.907 -20.736 1.00 0.00 H new ATOM 0 HE2 MET A 82 29.456 3.916 -20.919 1.00 0.00 H new ATOM 0 HE3 MET A 82 29.324 2.284 -20.222 1.00 0.00 H new ATOM 1298 N GLU A 83 27.402 5.068 -25.506 1.00 0.00 N ATOM 1299 CA GLU A 83 26.638 4.505 -26.613 1.00 0.00 C ATOM 1300 C GLU A 83 26.367 5.562 -27.680 1.00 0.00 C ATOM 1301 O GLU A 83 26.505 5.303 -28.876 1.00 0.00 O ATOM 1302 CB GLU A 83 25.316 3.925 -26.106 1.00 0.00 C ATOM 1303 CG GLU A 83 25.468 2.586 -25.404 1.00 0.00 C ATOM 1304 CD GLU A 83 25.963 1.493 -26.331 1.00 0.00 C ATOM 1305 OE1 GLU A 83 25.366 1.318 -27.414 1.00 0.00 O ATOM 1306 OE2 GLU A 83 26.948 0.814 -25.974 1.00 0.00 O ATOM 0 H GLU A 83 26.869 5.192 -24.645 1.00 0.00 H new ATOM 0 HA GLU A 83 27.229 3.706 -27.060 1.00 0.00 H new ATOM 0 HB2 GLU A 83 24.857 4.636 -25.419 1.00 0.00 H new ATOM 0 HB3 GLU A 83 24.633 3.809 -26.948 1.00 0.00 H new ATOM 0 HG2 GLU A 83 26.163 2.694 -24.572 1.00 0.00 H new ATOM 0 HG3 GLU A 83 24.508 2.291 -24.981 1.00 0.00 H new ATOM 1313 N HIS A 84 25.978 6.754 -27.238 1.00 0.00 N ATOM 1314 CA HIS A 84 25.687 7.851 -28.155 1.00 0.00 C ATOM 1315 C HIS A 84 26.932 8.244 -28.944 1.00 0.00 C ATOM 1316 O HIS A 84 28.043 7.817 -28.625 1.00 0.00 O ATOM 1317 CB HIS A 84 25.155 9.060 -27.384 1.00 0.00 C ATOM 1318 CG HIS A 84 24.731 10.193 -28.266 1.00 0.00 C ATOM 1319 ND1 HIS A 84 23.641 10.124 -29.108 1.00 0.00 N ATOM 1320 CD2 HIS A 84 25.257 11.429 -28.434 1.00 0.00 C ATOM 1321 CE1 HIS A 84 23.515 11.269 -29.756 1.00 0.00 C ATOM 1322 NE2 HIS A 84 24.483 12.078 -29.365 1.00 0.00 N ATOM 0 H HIS A 84 25.857 6.985 -26.252 1.00 0.00 H new ATOM 0 HA HIS A 84 24.925 7.513 -28.857 1.00 0.00 H new ATOM 0 HB2 HIS A 84 24.307 8.748 -26.775 1.00 0.00 H new ATOM 0 HB3 HIS A 84 25.927 9.412 -26.699 1.00 0.00 H new ATOM 0 HD1 HIS A 84 23.028 9.316 -29.214 1.00 0.00 H new ATOM 0 HD2 HIS A 84 26.124 11.830 -27.930 1.00 0.00 H new ATOM 0 HE1 HIS A 84 22.750 11.503 -30.482 1.00 0.00 H new ATOM 1330 N HIS A 85 26.740 9.058 -29.977 1.00 0.00 N ATOM 1331 CA HIS A 85 27.847 9.508 -30.813 1.00 0.00 C ATOM 1332 C HIS A 85 28.520 10.737 -30.207 1.00 0.00 C ATOM 1333 O HIS A 85 28.167 11.871 -30.529 1.00 0.00 O ATOM 1334 CB HIS A 85 27.352 9.827 -32.224 1.00 0.00 C ATOM 1335 CG HIS A 85 26.633 8.687 -32.878 1.00 0.00 C ATOM 1336 ND1 HIS A 85 27.082 8.075 -34.029 1.00 0.00 N ATOM 1337 CD2 HIS A 85 25.491 8.047 -32.535 1.00 0.00 C ATOM 1338 CE1 HIS A 85 26.247 7.109 -34.366 1.00 0.00 C ATOM 1339 NE2 HIS A 85 25.272 7.072 -33.476 1.00 0.00 N ATOM 0 H HIS A 85 25.828 9.420 -30.255 1.00 0.00 H new ATOM 0 HA HIS A 85 28.580 8.703 -30.867 1.00 0.00 H new ATOM 0 HB2 HIS A 85 26.686 10.689 -32.180 1.00 0.00 H new ATOM 0 HB3 HIS A 85 28.203 10.112 -32.843 1.00 0.00 H new ATOM 0 HD2 HIS A 85 24.868 8.263 -31.680 1.00 0.00 H new ATOM 0 HE1 HIS A 85 26.345 6.460 -35.223 1.00 0.00 H new ATOM 0 HE2 HIS A 85 24.484 6.424 -33.486 1.00 0.00 H new ATOM 1347 N MET A 86 29.490 10.502 -29.330 1.00 0.00 N ATOM 1348 CA MET A 86 30.212 11.590 -28.680 1.00 0.00 C ATOM 1349 C MET A 86 31.719 11.379 -28.783 1.00 0.00 C ATOM 1350 O MET A 86 32.228 10.307 -28.458 1.00 0.00 O ATOM 1351 CB MET A 86 29.799 11.698 -27.211 1.00 0.00 C ATOM 1352 CG MET A 86 28.332 12.043 -27.016 1.00 0.00 C ATOM 1353 SD MET A 86 28.025 12.930 -25.476 1.00 0.00 S ATOM 1354 CE MET A 86 26.526 13.819 -25.890 1.00 0.00 C ATOM 0 H MET A 86 29.794 9.569 -29.053 1.00 0.00 H new ATOM 0 HA MET A 86 29.957 12.519 -29.190 1.00 0.00 H new ATOM 0 HB2 MET A 86 30.011 10.752 -26.712 1.00 0.00 H new ATOM 0 HB3 MET A 86 30.410 12.459 -26.725 1.00 0.00 H new ATOM 0 HG2 MET A 86 27.991 12.650 -27.855 1.00 0.00 H new ATOM 0 HG3 MET A 86 27.743 11.126 -27.026 1.00 0.00 H new ATOM 0 HE1 MET A 86 26.268 14.496 -25.076 1.00 0.00 H new ATOM 0 HE2 MET A 86 26.684 14.393 -26.803 1.00 0.00 H new ATOM 0 HE3 MET A 86 25.713 13.110 -26.043 1.00 0.00 H new ATOM 1364 N GLU A 87 32.427 12.409 -29.237 1.00 0.00 N ATOM 1365 CA GLU A 87 33.875 12.335 -29.383 1.00 0.00 C ATOM 1366 C GLU A 87 34.573 12.663 -28.066 1.00 0.00 C ATOM 1367 O GLU A 87 34.931 13.812 -27.811 1.00 0.00 O ATOM 1368 CB GLU A 87 34.350 13.294 -30.477 1.00 0.00 C ATOM 1369 CG GLU A 87 35.777 13.041 -30.931 1.00 0.00 C ATOM 1370 CD GLU A 87 36.802 13.445 -29.888 1.00 0.00 C ATOM 1371 OE1 GLU A 87 36.668 14.549 -29.321 1.00 0.00 O ATOM 1372 OE2 GLU A 87 37.737 12.655 -29.640 1.00 0.00 O ATOM 0 H GLU A 87 32.021 13.304 -29.510 1.00 0.00 H new ATOM 0 HA GLU A 87 34.133 11.315 -29.667 1.00 0.00 H new ATOM 0 HB2 GLU A 87 33.684 13.210 -31.336 1.00 0.00 H new ATOM 0 HB3 GLU A 87 34.270 14.318 -30.111 1.00 0.00 H new ATOM 0 HG2 GLU A 87 35.898 11.983 -31.163 1.00 0.00 H new ATOM 0 HG3 GLU A 87 35.964 13.593 -31.852 1.00 0.00 H new ATOM 1379 N ALA A 88 34.761 11.644 -27.234 1.00 0.00 N ATOM 1380 CA ALA A 88 35.416 11.822 -25.944 1.00 0.00 C ATOM 1381 C ALA A 88 35.671 10.480 -25.267 1.00 0.00 C ATOM 1382 O ALA A 88 35.213 9.438 -25.739 1.00 0.00 O ATOM 1383 CB ALA A 88 34.577 12.718 -25.045 1.00 0.00 C ATOM 0 H ALA A 88 34.469 10.687 -27.430 1.00 0.00 H new ATOM 0 HA ALA A 88 36.380 12.300 -26.117 1.00 0.00 H new ATOM 0 HB1 ALA A 88 35.078 12.842 -24.085 1.00 0.00 H new ATOM 0 HB2 ALA A 88 34.451 13.692 -25.517 1.00 0.00 H new ATOM 0 HB3 ALA A 88 33.599 12.262 -24.888 1.00 0.00 H new ATOM 1389 N HIS A 89 36.405 10.510 -24.160 1.00 0.00 N ATOM 1390 CA HIS A 89 36.720 9.295 -23.417 1.00 0.00 C ATOM 1391 C HIS A 89 37.249 8.210 -24.351 1.00 0.00 C ATOM 1392 O HIS A 89 36.795 7.066 -24.312 1.00 0.00 O ATOM 1393 CB HIS A 89 35.482 8.788 -22.678 1.00 0.00 C ATOM 1394 CG HIS A 89 35.001 9.719 -21.607 1.00 0.00 C ATOM 1395 ND1 HIS A 89 34.772 11.053 -21.631 1.00 0.00 N flip ATOM 1396 CD2 HIS A 89 34.700 9.302 -20.328 1.00 0.00 C flip ATOM 1397 CE1 HIS A 89 34.339 11.414 -20.379 1.00 0.00 C flip ATOM 1398 NE2 HIS A 89 34.304 10.340 -19.611 1.00 0.00 N flip ATOM 0 H HIS A 89 36.793 11.363 -23.757 1.00 0.00 H new ATOM 0 HA HIS A 89 37.495 9.534 -22.689 1.00 0.00 H new ATOM 0 HB2 HIS A 89 34.679 8.629 -23.398 1.00 0.00 H new ATOM 0 HB3 HIS A 89 35.706 7.819 -22.232 1.00 0.00 H new ATOM 0 HD2 HIS A 89 34.776 8.287 -19.968 1.00 0.00 H new ATOM 0 HE1 HIS A 89 34.071 12.414 -20.072 1.00 0.00 H new ATOM 0 HE2 HIS A 89 34.020 10.315 -18.632 1.00 0.00 H new ATOM 1406 N LYS A 90 38.211 8.577 -25.191 1.00 0.00 N ATOM 1407 CA LYS A 90 38.803 7.636 -26.135 1.00 0.00 C ATOM 1408 C LYS A 90 39.213 6.346 -25.433 1.00 0.00 C ATOM 1409 O LYS A 90 39.421 6.327 -24.220 1.00 0.00 O ATOM 1410 CB LYS A 90 40.018 8.265 -26.820 1.00 0.00 C ATOM 1411 CG LYS A 90 39.675 9.030 -28.086 1.00 0.00 C ATOM 1412 CD LYS A 90 38.695 10.157 -27.808 1.00 0.00 C ATOM 1413 CE LYS A 90 39.404 11.395 -27.282 1.00 0.00 C ATOM 1414 NZ LYS A 90 40.366 11.948 -28.276 1.00 0.00 N ATOM 0 H LYS A 90 38.597 9.520 -25.237 1.00 0.00 H new ATOM 0 HA LYS A 90 38.053 7.396 -26.888 1.00 0.00 H new ATOM 0 HB2 LYS A 90 40.510 8.940 -26.120 1.00 0.00 H new ATOM 0 HB3 LYS A 90 40.734 7.480 -27.063 1.00 0.00 H new ATOM 0 HG2 LYS A 90 40.586 9.438 -28.524 1.00 0.00 H new ATOM 0 HG3 LYS A 90 39.247 8.347 -28.820 1.00 0.00 H new ATOM 0 HD2 LYS A 90 38.156 10.406 -28.722 1.00 0.00 H new ATOM 0 HD3 LYS A 90 37.953 9.825 -27.081 1.00 0.00 H new ATOM 0 HE2 LYS A 90 38.666 12.156 -27.029 1.00 0.00 H new ATOM 0 HE3 LYS A 90 39.934 11.147 -26.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 40.506 12.963 -28.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 41.276 11.452 -28.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 39.988 11.816 -29.236 1.00 0.00 H new ATOM 1428 N ASN A 91 39.329 5.269 -26.203 1.00 0.00 N ATOM 1429 CA ASN A 91 39.715 3.974 -25.654 1.00 0.00 C ATOM 1430 C ASN A 91 40.585 3.202 -26.642 1.00 0.00 C ATOM 1431 O ASN A 91 40.256 3.096 -27.823 1.00 0.00 O ATOM 1432 CB ASN A 91 38.472 3.154 -25.303 1.00 0.00 C ATOM 1433 CG ASN A 91 37.624 2.839 -26.521 1.00 0.00 C ATOM 1434 OD1 ASN A 91 37.192 3.740 -27.240 1.00 0.00 O ATOM 1435 ND2 ASN A 91 37.382 1.555 -26.757 1.00 0.00 N ATOM 0 H ASN A 91 39.161 5.267 -27.209 1.00 0.00 H new ATOM 0 HA ASN A 91 40.294 4.150 -24.747 1.00 0.00 H new ATOM 0 HB2 ASN A 91 38.777 2.223 -24.826 1.00 0.00 H new ATOM 0 HB3 ASN A 91 37.871 3.702 -24.577 1.00 0.00 H new ATOM 0 HD21 ASN A 91 36.817 1.282 -27.561 1.00 0.00 H new ATOM 0 HD22 ASN A 91 37.761 0.842 -26.134 1.00 0.00 H new ATOM 1442 N SER A 92 41.695 2.664 -26.148 1.00 0.00 N ATOM 1443 CA SER A 92 42.615 1.904 -26.987 1.00 0.00 C ATOM 1444 C SER A 92 41.943 0.645 -27.528 1.00 0.00 C ATOM 1445 O SER A 92 41.282 -0.085 -26.790 1.00 0.00 O ATOM 1446 CB SER A 92 43.868 1.527 -26.196 1.00 0.00 C ATOM 1447 OG SER A 92 44.982 1.357 -27.055 1.00 0.00 O ATOM 0 H SER A 92 41.979 2.740 -25.171 1.00 0.00 H new ATOM 0 HA SER A 92 42.902 2.533 -27.830 1.00 0.00 H new ATOM 0 HB2 SER A 92 44.086 2.303 -25.462 1.00 0.00 H new ATOM 0 HB3 SER A 92 43.688 0.606 -25.642 1.00 0.00 H new ATOM 0 HG SER A 92 45.771 1.118 -26.525 1.00 0.00 H new ATOM 1453 N GLY A 93 42.118 0.398 -28.822 1.00 0.00 N ATOM 1454 CA GLY A 93 41.523 -0.773 -29.441 1.00 0.00 C ATOM 1455 C GLY A 93 42.523 -1.895 -29.639 1.00 0.00 C ATOM 1456 O GLY A 93 43.734 -1.678 -29.671 1.00 0.00 O ATOM 0 H GLY A 93 42.661 0.987 -29.453 1.00 0.00 H new ATOM 0 HA2 GLY A 93 40.700 -1.129 -28.821 1.00 0.00 H new ATOM 0 HA3 GLY A 93 41.099 -0.494 -30.405 1.00 0.00 H new ATOM 1460 N PRO A 94 42.014 -3.129 -29.773 1.00 0.00 N ATOM 1461 CA PRO A 94 42.854 -4.314 -29.970 1.00 0.00 C ATOM 1462 C PRO A 94 43.518 -4.332 -31.343 1.00 0.00 C ATOM 1463 O PRO A 94 44.371 -5.176 -31.619 1.00 0.00 O ATOM 1464 CB PRO A 94 41.864 -5.475 -29.840 1.00 0.00 C ATOM 1465 CG PRO A 94 40.544 -4.891 -30.208 1.00 0.00 C ATOM 1466 CD PRO A 94 40.580 -3.461 -29.744 1.00 0.00 C ATOM 0 HA PRO A 94 43.676 -4.354 -29.256 1.00 0.00 H new ATOM 0 HB2 PRO A 94 42.131 -6.299 -30.502 1.00 0.00 H new ATOM 0 HB3 PRO A 94 41.852 -5.873 -28.825 1.00 0.00 H new ATOM 0 HG2 PRO A 94 40.378 -4.948 -31.284 1.00 0.00 H new ATOM 0 HG3 PRO A 94 39.729 -5.436 -29.731 1.00 0.00 H new ATOM 0 HD2 PRO A 94 40.004 -2.810 -30.402 1.00 0.00 H new ATOM 0 HD3 PRO A 94 40.163 -3.353 -28.743 1.00 0.00 H new ATOM 1474 N SER A 95 43.121 -3.396 -32.200 1.00 0.00 N ATOM 1475 CA SER A 95 43.677 -3.307 -33.545 1.00 0.00 C ATOM 1476 C SER A 95 44.630 -2.122 -33.661 1.00 0.00 C ATOM 1477 O SER A 95 44.474 -1.115 -32.970 1.00 0.00 O ATOM 1478 CB SER A 95 42.554 -3.176 -34.575 1.00 0.00 C ATOM 1479 OG SER A 95 42.981 -3.612 -35.854 1.00 0.00 O ATOM 0 H SER A 95 42.417 -2.689 -31.987 1.00 0.00 H new ATOM 0 HA SER A 95 44.237 -4.221 -33.742 1.00 0.00 H new ATOM 0 HB2 SER A 95 41.693 -3.764 -34.256 1.00 0.00 H new ATOM 0 HB3 SER A 95 42.228 -2.138 -34.632 1.00 0.00 H new ATOM 0 HG SER A 95 42.244 -3.520 -36.494 1.00 0.00 H new ATOM 1485 N SER A 96 45.618 -2.249 -34.541 1.00 0.00 N ATOM 1486 CA SER A 96 46.601 -1.191 -34.746 1.00 0.00 C ATOM 1487 C SER A 96 45.915 0.161 -34.915 1.00 0.00 C ATOM 1488 O SER A 96 44.893 0.272 -35.590 1.00 0.00 O ATOM 1489 CB SER A 96 47.461 -1.496 -35.973 1.00 0.00 C ATOM 1490 OG SER A 96 48.504 -0.546 -36.114 1.00 0.00 O ATOM 0 H SER A 96 45.759 -3.074 -35.124 1.00 0.00 H new ATOM 0 HA SER A 96 47.241 -1.147 -33.865 1.00 0.00 H new ATOM 0 HB2 SER A 96 47.885 -2.496 -35.884 1.00 0.00 H new ATOM 0 HB3 SER A 96 46.838 -1.492 -36.868 1.00 0.00 H new ATOM 0 HG SER A 96 49.040 -0.764 -36.905 1.00 0.00 H new ATOM 1496 N GLY A 97 46.487 1.189 -34.294 1.00 0.00 N ATOM 1497 CA GLY A 97 45.918 2.521 -34.387 1.00 0.00 C ATOM 1498 C GLY A 97 45.402 2.836 -35.777 1.00 0.00 C ATOM 1499 O GLY A 97 46.071 2.557 -36.772 1.00 0.00 O ATOM 0 H GLY A 97 47.333 1.123 -33.729 1.00 0.00 H new ATOM 0 HA2 GLY A 97 45.102 2.615 -33.670 1.00 0.00 H new ATOM 0 HA3 GLY A 97 46.673 3.256 -34.108 1.00 0.00 H new TER 1503 GLY A 97