USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 753 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 62 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 74 HIS : no HD1:sc= -0.216 K(o=-0.22,f=-0.75) USER MOD Set 2.1: A 46 HIS : no HD1:sc= -1.84! K(o=-7.1!,f=-1.8) USER MOD Set 2.2: A 47 LYS NZ :NH3+ -120:sc= -0.314 (180deg=-0.0402) USER MOD Set 2.3: A 48 ASN : amide:sc= -4.91! K(o=-7.1!,f=-1.1) USER MOD Set 3.1: A 42 CYS SG : rot -32:sc= -1.37 USER MOD Set 3.2: A 43 MET CE :methyl 172:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0501 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -165:sc= 1.08 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 25 TYR OH : rot 30:sc= -0.386 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.18 USER MOD Single : A 36 THR OG1 : rot -81:sc= 0.155 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.156 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.615 K(o=-0.61,f=-0.056) USER MOD Single : A 66 ASN : amide:sc= -0.497 X(o=-0.5,f=-0.73) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.849 K(o=-0.85,f=-4.2!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -172:sc= 0.336! (180deg=0.17!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 37:sc= 0.296 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.326 12.549 16.441 1.00 0.00 N ATOM 2 CA GLY A 1 26.068 12.550 15.193 1.00 0.00 C ATOM 3 C GLY A 1 25.798 11.315 14.357 1.00 0.00 C ATOM 4 O GLY A 1 24.652 11.029 14.012 1.00 0.00 O ATOM 0 H1 GLY A 1 25.545 13.414 16.976 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.306 12.516 16.239 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.594 11.717 17.004 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.805 13.438 14.619 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.135 12.613 15.408 1.00 0.00 H new ATOM 8 N SER A 2 26.857 10.581 14.030 1.00 0.00 N ATOM 9 CA SER A 2 26.730 9.372 13.224 1.00 0.00 C ATOM 10 C SER A 2 25.469 8.599 13.600 1.00 0.00 C ATOM 11 O SER A 2 25.422 7.932 14.634 1.00 0.00 O ATOM 12 CB SER A 2 27.961 8.482 13.404 1.00 0.00 C ATOM 13 OG SER A 2 28.978 8.825 12.478 1.00 0.00 O ATOM 0 H SER A 2 27.812 10.802 14.311 1.00 0.00 H new ATOM 0 HA SER A 2 26.655 9.668 12.178 1.00 0.00 H new ATOM 0 HB2 SER A 2 28.341 8.583 14.421 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.681 7.437 13.271 1.00 0.00 H new ATOM 0 HG SER A 2 29.755 8.243 12.615 1.00 0.00 H new ATOM 19 N SER A 3 24.450 8.694 12.753 1.00 0.00 N ATOM 20 CA SER A 3 23.187 8.007 12.997 1.00 0.00 C ATOM 21 C SER A 3 23.324 6.510 12.738 1.00 0.00 C ATOM 22 O SER A 3 24.300 6.058 12.141 1.00 0.00 O ATOM 23 CB SER A 3 22.085 8.591 12.111 1.00 0.00 C ATOM 24 OG SER A 3 22.315 8.290 10.746 1.00 0.00 O ATOM 0 H SER A 3 24.474 9.240 11.892 1.00 0.00 H new ATOM 0 HA SER A 3 22.918 8.154 14.043 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.118 8.191 12.417 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.040 9.672 12.246 1.00 0.00 H new ATOM 0 HG SER A 3 21.596 8.673 10.201 1.00 0.00 H new ATOM 30 N GLY A 4 22.336 5.744 13.192 1.00 0.00 N ATOM 31 CA GLY A 4 22.364 4.306 13.000 1.00 0.00 C ATOM 32 C GLY A 4 21.474 3.572 13.984 1.00 0.00 C ATOM 33 O GLY A 4 20.801 2.607 13.622 1.00 0.00 O ATOM 0 H GLY A 4 21.517 6.094 13.689 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.047 4.072 11.984 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.388 3.948 13.105 1.00 0.00 H new ATOM 37 N SER A 5 21.472 4.029 15.232 1.00 0.00 N ATOM 38 CA SER A 5 20.662 3.406 16.273 1.00 0.00 C ATOM 39 C SER A 5 19.207 3.853 16.169 1.00 0.00 C ATOM 40 O SER A 5 18.909 4.911 15.614 1.00 0.00 O ATOM 41 CB SER A 5 21.217 3.751 17.656 1.00 0.00 C ATOM 42 OG SER A 5 20.367 3.269 18.682 1.00 0.00 O ATOM 0 H SER A 5 22.022 4.828 15.547 1.00 0.00 H new ATOM 0 HA SER A 5 20.703 2.326 16.133 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.211 3.319 17.770 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.327 4.832 17.748 1.00 0.00 H new ATOM 0 HG SER A 5 20.745 3.501 19.556 1.00 0.00 H new ATOM 48 N SER A 6 18.305 3.040 16.708 1.00 0.00 N ATOM 49 CA SER A 6 16.880 3.348 16.674 1.00 0.00 C ATOM 50 C SER A 6 16.598 4.687 17.350 1.00 0.00 C ATOM 51 O SER A 6 17.350 5.127 18.219 1.00 0.00 O ATOM 52 CB SER A 6 16.080 2.239 17.360 1.00 0.00 C ATOM 53 OG SER A 6 16.480 2.082 18.710 1.00 0.00 O ATOM 0 H SER A 6 18.536 2.162 17.174 1.00 0.00 H new ATOM 0 HA SER A 6 16.573 3.415 15.630 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.016 2.474 17.318 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.221 1.300 16.824 1.00 0.00 H new ATOM 0 HG SER A 6 15.953 1.369 19.127 1.00 0.00 H new ATOM 59 N GLY A 7 15.508 5.330 16.944 1.00 0.00 N ATOM 60 CA GLY A 7 15.145 6.612 17.519 1.00 0.00 C ATOM 61 C GLY A 7 13.769 7.075 17.082 1.00 0.00 C ATOM 62 O GLY A 7 12.755 6.595 17.588 1.00 0.00 O ATOM 0 H GLY A 7 14.869 4.986 16.227 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.172 6.540 18.606 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.885 7.359 17.230 1.00 0.00 H new ATOM 66 N TYR A 8 13.734 8.011 16.140 1.00 0.00 N ATOM 67 CA TYR A 8 12.473 8.542 15.637 1.00 0.00 C ATOM 68 C TYR A 8 11.929 7.676 14.505 1.00 0.00 C ATOM 69 O TYR A 8 11.211 8.159 13.628 1.00 0.00 O ATOM 70 CB TYR A 8 12.659 9.980 15.150 1.00 0.00 C ATOM 71 CG TYR A 8 13.097 10.079 13.707 1.00 0.00 C ATOM 72 CD1 TYR A 8 14.111 9.269 13.211 1.00 0.00 C ATOM 73 CD2 TYR A 8 12.496 10.981 12.838 1.00 0.00 C ATOM 74 CE1 TYR A 8 14.515 9.356 11.893 1.00 0.00 C ATOM 75 CE2 TYR A 8 12.893 11.075 11.518 1.00 0.00 C ATOM 76 CZ TYR A 8 13.903 10.260 11.050 1.00 0.00 C ATOM 77 OH TYR A 8 14.302 10.349 9.736 1.00 0.00 O ATOM 0 H TYR A 8 14.565 8.418 15.709 1.00 0.00 H new ATOM 0 HA TYR A 8 11.753 8.533 16.455 1.00 0.00 H new ATOM 0 HB2 TYR A 8 11.721 10.521 15.274 1.00 0.00 H new ATOM 0 HB3 TYR A 8 13.398 10.475 15.780 1.00 0.00 H new ATOM 0 HD1 TYR A 8 14.592 8.559 13.867 1.00 0.00 H new ATOM 0 HD2 TYR A 8 11.704 11.620 13.201 1.00 0.00 H new ATOM 0 HE1 TYR A 8 15.306 8.720 11.525 1.00 0.00 H new ATOM 0 HE2 TYR A 8 12.415 11.782 10.856 1.00 0.00 H new ATOM 0 HH TYR A 8 13.770 11.033 9.278 1.00 0.00 H new ATOM 87 N LEU A 9 12.277 6.394 14.530 1.00 0.00 N ATOM 88 CA LEU A 9 11.824 5.459 13.507 1.00 0.00 C ATOM 89 C LEU A 9 10.404 4.983 13.794 1.00 0.00 C ATOM 90 O LEU A 9 10.200 3.967 14.458 1.00 0.00 O ATOM 91 CB LEU A 9 12.770 4.259 13.431 1.00 0.00 C ATOM 92 CG LEU A 9 12.866 3.565 12.072 1.00 0.00 C ATOM 93 CD1 LEU A 9 13.297 4.552 10.998 1.00 0.00 C ATOM 94 CD2 LEU A 9 13.833 2.392 12.139 1.00 0.00 C ATOM 0 H LEU A 9 12.871 5.979 15.247 1.00 0.00 H new ATOM 0 HA LEU A 9 11.826 5.978 12.549 1.00 0.00 H new ATOM 0 HB2 LEU A 9 13.768 4.590 13.719 1.00 0.00 H new ATOM 0 HB3 LEU A 9 12.452 3.524 14.170 1.00 0.00 H new ATOM 0 HG LEU A 9 11.879 3.182 11.811 1.00 0.00 H new ATOM 0 HD11 LEU A 9 13.360 4.040 10.038 1.00 0.00 H new ATOM 0 HD12 LEU A 9 12.568 5.359 10.932 1.00 0.00 H new ATOM 0 HD13 LEU A 9 14.273 4.965 11.254 1.00 0.00 H new ATOM 0 HD21 LEU A 9 13.889 1.910 11.163 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.822 2.752 12.423 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.482 1.673 12.879 1.00 0.00 H new ATOM 106 N LYS A 10 9.424 5.723 13.286 1.00 0.00 N ATOM 107 CA LYS A 10 8.022 5.377 13.484 1.00 0.00 C ATOM 108 C LYS A 10 7.613 4.223 12.574 1.00 0.00 C ATOM 109 O LYS A 10 8.293 3.922 11.592 1.00 0.00 O ATOM 110 CB LYS A 10 7.132 6.592 13.215 1.00 0.00 C ATOM 111 CG LYS A 10 5.822 6.569 13.984 1.00 0.00 C ATOM 112 CD LYS A 10 5.019 7.839 13.756 1.00 0.00 C ATOM 113 CE LYS A 10 3.623 7.729 14.349 1.00 0.00 C ATOM 114 NZ LYS A 10 2.732 8.826 13.877 1.00 0.00 N ATOM 0 H LYS A 10 9.576 6.567 12.734 1.00 0.00 H new ATOM 0 HA LYS A 10 7.894 5.063 14.520 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.680 7.498 13.474 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.916 6.645 12.148 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.233 5.705 13.676 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.026 6.453 15.048 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.540 8.685 14.203 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.947 8.038 12.687 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.188 6.767 14.079 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.687 7.756 15.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.790 8.716 14.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.133 9.744 14.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.650 8.785 12.841 1.00 0.00 H new ATOM 128 N LEU A 11 6.497 3.581 12.904 1.00 0.00 N ATOM 129 CA LEU A 11 5.997 2.461 12.115 1.00 0.00 C ATOM 130 C LEU A 11 4.528 2.663 11.754 1.00 0.00 C ATOM 131 O LEU A 11 3.681 2.834 12.630 1.00 0.00 O ATOM 132 CB LEU A 11 6.169 1.151 12.886 1.00 0.00 C ATOM 133 CG LEU A 11 7.589 0.829 13.353 1.00 0.00 C ATOM 134 CD1 LEU A 11 7.575 -0.313 14.357 1.00 0.00 C ATOM 135 CD2 LEU A 11 8.476 0.487 12.165 1.00 0.00 C ATOM 0 H LEU A 11 5.922 3.817 13.712 1.00 0.00 H new ATOM 0 HA LEU A 11 6.576 2.411 11.193 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.518 1.179 13.760 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.821 0.333 12.255 1.00 0.00 H new ATOM 0 HG LEU A 11 7.998 1.712 13.844 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.594 -0.528 14.678 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.974 -0.030 15.222 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.146 -1.201 13.892 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.483 0.261 12.516 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.069 -0.380 11.645 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.512 1.336 11.482 1.00 0.00 H new ATOM 147 N VAL A 12 4.234 2.638 10.458 1.00 0.00 N ATOM 148 CA VAL A 12 2.868 2.815 9.981 1.00 0.00 C ATOM 149 C VAL A 12 2.278 1.493 9.502 1.00 0.00 C ATOM 150 O VAL A 12 2.964 0.686 8.875 1.00 0.00 O ATOM 151 CB VAL A 12 2.802 3.840 8.833 1.00 0.00 C ATOM 152 CG1 VAL A 12 3.313 5.195 9.297 1.00 0.00 C ATOM 153 CG2 VAL A 12 3.593 3.345 7.632 1.00 0.00 C ATOM 0 H VAL A 12 4.924 2.497 9.720 1.00 0.00 H new ATOM 0 HA VAL A 12 2.284 3.187 10.823 1.00 0.00 H new ATOM 0 HB VAL A 12 1.761 3.956 8.531 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.259 5.906 8.473 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.700 5.551 10.125 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.348 5.100 9.627 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.536 4.081 6.830 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.635 3.200 7.917 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.176 2.399 7.286 1.00 0.00 H new ATOM 163 N ARG A 13 1.001 1.278 9.802 1.00 0.00 N ATOM 164 CA ARG A 13 0.318 0.054 9.403 1.00 0.00 C ATOM 165 C ARG A 13 -0.593 0.305 8.205 1.00 0.00 C ATOM 166 O ARG A 13 -1.277 1.327 8.137 1.00 0.00 O ATOM 167 CB ARG A 13 -0.498 -0.505 10.570 1.00 0.00 C ATOM 168 CG ARG A 13 0.326 -0.759 11.822 1.00 0.00 C ATOM 169 CD ARG A 13 -0.512 -0.602 13.081 1.00 0.00 C ATOM 170 NE ARG A 13 0.282 -0.123 14.210 1.00 0.00 N ATOM 171 CZ ARG A 13 -0.108 -0.220 15.476 1.00 0.00 C ATOM 172 NH1 ARG A 13 -1.274 -0.777 15.773 1.00 0.00 N ATOM 173 NH2 ARG A 13 0.670 0.239 16.448 1.00 0.00 N ATOM 0 H ARG A 13 0.419 1.936 10.320 1.00 0.00 H new ATOM 0 HA ARG A 13 1.074 -0.676 9.116 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.300 0.193 10.809 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.969 -1.438 10.259 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.745 -1.765 11.785 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.166 -0.065 11.853 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.327 0.095 12.889 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.965 -1.560 13.337 1.00 0.00 H new ATOM 0 HE ARG A 13 1.185 0.309 14.015 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.874 -1.132 15.028 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.571 -0.850 16.746 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.568 0.667 16.223 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.370 0.164 17.420 1.00 0.00 H new ATOM 187 N ILE A 14 -0.597 -0.633 7.264 1.00 0.00 N ATOM 188 CA ILE A 14 -1.425 -0.513 6.070 1.00 0.00 C ATOM 189 C ILE A 14 -2.361 -1.708 5.927 1.00 0.00 C ATOM 190 O ILE A 14 -1.921 -2.858 5.930 1.00 0.00 O ATOM 191 CB ILE A 14 -0.565 -0.394 4.798 1.00 0.00 C ATOM 192 CG1 ILE A 14 0.450 0.742 4.947 1.00 0.00 C ATOM 193 CG2 ILE A 14 -1.448 -0.167 3.581 1.00 0.00 C ATOM 194 CD1 ILE A 14 -0.182 2.116 4.982 1.00 0.00 C ATOM 0 H ILE A 14 -0.036 -1.484 7.305 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.015 0.396 6.186 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.019 -1.327 4.657 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.021 0.590 5.863 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.157 0.697 4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.825 -0.085 2.690 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.135 -1.006 3.468 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.018 0.753 3.711 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.596 2.872 5.089 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.730 2.288 4.056 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.868 2.179 5.827 1.00 0.00 H new ATOM 206 N TYR A 15 -3.653 -1.428 5.801 1.00 0.00 N ATOM 207 CA TYR A 15 -4.652 -2.481 5.657 1.00 0.00 C ATOM 208 C TYR A 15 -4.926 -2.776 4.186 1.00 0.00 C ATOM 209 O TYR A 15 -5.641 -2.032 3.513 1.00 0.00 O ATOM 210 CB TYR A 15 -5.951 -2.079 6.358 1.00 0.00 C ATOM 211 CG TYR A 15 -5.772 -1.746 7.822 1.00 0.00 C ATOM 212 CD1 TYR A 15 -5.552 -2.747 8.760 1.00 0.00 C ATOM 213 CD2 TYR A 15 -5.822 -0.430 8.267 1.00 0.00 C ATOM 214 CE1 TYR A 15 -5.388 -2.447 10.099 1.00 0.00 C ATOM 215 CE2 TYR A 15 -5.658 -0.122 9.603 1.00 0.00 C ATOM 216 CZ TYR A 15 -5.441 -1.133 10.515 1.00 0.00 C ATOM 217 OH TYR A 15 -5.278 -0.830 11.848 1.00 0.00 O ATOM 0 H TYR A 15 -4.033 -0.482 5.796 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.259 -3.385 6.123 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.377 -1.216 5.847 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.671 -2.892 6.265 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.508 -3.777 8.437 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.992 0.365 7.556 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -5.219 -3.237 10.816 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.700 0.906 9.932 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.576 0.089 12.013 1.00 0.00 H new ATOM 227 N THR A 16 -4.351 -3.868 3.691 1.00 0.00 N ATOM 228 CA THR A 16 -4.530 -4.262 2.300 1.00 0.00 C ATOM 229 C THR A 16 -5.962 -4.714 2.037 1.00 0.00 C ATOM 230 O THR A 16 -6.584 -5.365 2.878 1.00 0.00 O ATOM 231 CB THR A 16 -3.566 -5.398 1.909 1.00 0.00 C ATOM 232 OG1 THR A 16 -3.610 -5.613 0.494 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.924 -6.686 2.634 1.00 0.00 C ATOM 0 H THR A 16 -3.757 -4.495 4.234 1.00 0.00 H new ATOM 0 HA THR A 16 -4.311 -3.384 1.692 1.00 0.00 H new ATOM 0 HB THR A 16 -2.557 -5.104 2.200 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.993 -6.336 0.254 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.229 -7.473 2.342 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.860 -6.527 3.711 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.939 -6.982 2.370 1.00 0.00 H new ATOM 241 N LYS A 17 -6.482 -4.367 0.864 1.00 0.00 N ATOM 242 CA LYS A 17 -7.841 -4.738 0.489 1.00 0.00 C ATOM 243 C LYS A 17 -7.838 -5.633 -0.746 1.00 0.00 C ATOM 244 O LYS A 17 -7.853 -5.163 -1.884 1.00 0.00 O ATOM 245 CB LYS A 17 -8.679 -3.486 0.222 1.00 0.00 C ATOM 246 CG LYS A 17 -10.171 -3.702 0.406 1.00 0.00 C ATOM 247 CD LYS A 17 -10.958 -2.437 0.107 1.00 0.00 C ATOM 248 CE LYS A 17 -12.381 -2.529 0.636 1.00 0.00 C ATOM 249 NZ LYS A 17 -13.247 -3.364 -0.243 1.00 0.00 N ATOM 0 H LYS A 17 -5.982 -3.829 0.156 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.282 -5.292 1.318 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.351 -2.690 0.890 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.493 -3.145 -0.796 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.507 -4.505 -0.250 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.370 -4.022 1.429 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.456 -1.580 0.556 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.979 -2.266 -0.969 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.368 -2.952 1.641 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.804 -1.528 0.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.208 -3.402 0.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.280 -2.947 -1.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.858 -4.327 -0.300 1.00 0.00 H new ATOM 263 N PRO A 18 -7.821 -6.955 -0.520 1.00 0.00 N ATOM 264 CA PRO A 18 -7.819 -7.944 -1.603 1.00 0.00 C ATOM 265 C PRO A 18 -9.148 -7.990 -2.349 1.00 0.00 C ATOM 266 O PRO A 18 -10.179 -8.351 -1.781 1.00 0.00 O ATOM 267 CB PRO A 18 -7.568 -9.267 -0.875 1.00 0.00 C ATOM 268 CG PRO A 18 -8.066 -9.037 0.510 1.00 0.00 C ATOM 269 CD PRO A 18 -7.803 -7.587 0.810 1.00 0.00 C ATOM 0 HA PRO A 18 -7.074 -7.713 -2.364 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.098 -10.090 -1.355 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.509 -9.526 -0.877 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.129 -9.264 0.585 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.551 -9.682 1.222 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.567 -7.167 1.465 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.844 -7.447 1.308 1.00 0.00 H new ATOM 277 N LYS A 19 -9.118 -7.622 -3.625 1.00 0.00 N ATOM 278 CA LYS A 19 -10.319 -7.623 -4.451 1.00 0.00 C ATOM 279 C LYS A 19 -11.203 -8.823 -4.125 1.00 0.00 C ATOM 280 O LYS A 19 -10.716 -9.944 -3.986 1.00 0.00 O ATOM 281 CB LYS A 19 -9.944 -7.640 -5.935 1.00 0.00 C ATOM 282 CG LYS A 19 -9.037 -8.796 -6.319 1.00 0.00 C ATOM 283 CD LYS A 19 -8.685 -8.761 -7.797 1.00 0.00 C ATOM 284 CE LYS A 19 -7.612 -9.783 -8.138 1.00 0.00 C ATOM 285 NZ LYS A 19 -8.145 -11.173 -8.125 1.00 0.00 N ATOM 0 H LYS A 19 -8.274 -7.319 -4.110 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.878 -6.713 -4.235 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.855 -7.690 -6.531 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.450 -6.702 -6.187 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.124 -8.756 -5.725 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.529 -9.740 -6.083 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.578 -8.958 -8.390 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.338 -7.763 -8.066 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.200 -9.562 -9.122 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.793 -9.702 -7.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.383 -11.839 -8.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.516 -11.394 -7.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.910 -11.258 -8.825 1.00 0.00 H new ATOM 299 N GLY A 20 -12.505 -8.579 -4.007 1.00 0.00 N ATOM 300 CA GLY A 20 -13.435 -9.650 -3.700 1.00 0.00 C ATOM 301 C GLY A 20 -13.533 -9.925 -2.213 1.00 0.00 C ATOM 302 O GLY A 20 -14.629 -10.082 -1.676 1.00 0.00 O ATOM 0 H GLY A 20 -12.932 -7.659 -4.118 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.422 -9.391 -4.084 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.121 -10.558 -4.214 1.00 0.00 H new ATOM 306 N GLN A 21 -12.384 -9.984 -1.546 1.00 0.00 N ATOM 307 CA GLN A 21 -12.346 -10.243 -0.112 1.00 0.00 C ATOM 308 C GLN A 21 -12.320 -8.939 0.677 1.00 0.00 C ATOM 309 O GLN A 21 -12.203 -7.855 0.102 1.00 0.00 O ATOM 310 CB GLN A 21 -11.124 -11.092 0.241 1.00 0.00 C ATOM 311 CG GLN A 21 -11.306 -12.573 -0.052 1.00 0.00 C ATOM 312 CD GLN A 21 -12.102 -13.287 1.023 1.00 0.00 C ATOM 313 OE1 GLN A 21 -13.332 -13.231 1.041 1.00 0.00 O ATOM 314 NE2 GLN A 21 -11.403 -13.964 1.926 1.00 0.00 N ATOM 0 H GLN A 21 -11.468 -9.856 -1.976 1.00 0.00 H new ATOM 0 HA GLN A 21 -13.250 -10.790 0.157 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.263 -10.723 -0.316 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -10.897 -10.965 1.300 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.811 -12.690 -1.011 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.327 -13.044 -0.147 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.385 -13.983 1.873 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.884 -14.465 2.673 1.00 0.00 H new ATOM 323 N LEU A 22 -12.428 -9.049 1.996 1.00 0.00 N ATOM 324 CA LEU A 22 -12.417 -7.877 2.865 1.00 0.00 C ATOM 325 C LEU A 22 -11.001 -7.567 3.342 1.00 0.00 C ATOM 326 O LEU A 22 -10.162 -8.455 3.493 1.00 0.00 O ATOM 327 CB LEU A 22 -13.335 -8.101 4.068 1.00 0.00 C ATOM 328 CG LEU A 22 -12.683 -8.724 5.303 1.00 0.00 C ATOM 329 CD1 LEU A 22 -11.936 -7.669 6.103 1.00 0.00 C ATOM 330 CD2 LEU A 22 -13.730 -9.410 6.169 1.00 0.00 C ATOM 0 H LEU A 22 -12.524 -9.938 2.488 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.782 -7.026 2.291 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.766 -7.142 4.354 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -14.160 -8.741 3.756 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.965 -9.474 4.971 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.479 -8.132 6.978 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.160 -7.223 5.481 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -12.633 -6.895 6.424 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -13.249 -9.848 7.043 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -14.472 -8.679 6.491 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -14.220 -10.195 5.594 1.00 0.00 H new ATOM 342 N PRO A 23 -10.729 -6.277 3.588 1.00 0.00 N ATOM 343 CA PRO A 23 -9.417 -5.819 4.055 1.00 0.00 C ATOM 344 C PRO A 23 -9.127 -6.255 5.487 1.00 0.00 C ATOM 345 O PRO A 23 -9.829 -5.864 6.419 1.00 0.00 O ATOM 346 CB PRO A 23 -9.522 -4.295 3.971 1.00 0.00 C ATOM 347 CG PRO A 23 -10.979 -4.008 4.087 1.00 0.00 C ATOM 348 CD PRO A 23 -11.682 -5.165 3.431 1.00 0.00 C ATOM 0 HA PRO A 23 -8.604 -6.237 3.461 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.959 -3.815 4.771 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -9.119 -3.922 3.030 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.276 -3.912 5.131 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.232 -3.068 3.596 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.635 -5.382 3.913 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.894 -4.963 2.381 1.00 0.00 H new ATOM 356 N ASP A 24 -8.088 -7.066 5.654 1.00 0.00 N ATOM 357 CA ASP A 24 -7.704 -7.554 6.974 1.00 0.00 C ATOM 358 C ASP A 24 -7.362 -6.394 7.904 1.00 0.00 C ATOM 359 O ASP A 24 -6.609 -5.492 7.537 1.00 0.00 O ATOM 360 CB ASP A 24 -6.510 -8.503 6.862 1.00 0.00 C ATOM 361 CG ASP A 24 -5.385 -7.923 6.027 1.00 0.00 C ATOM 362 OD1 ASP A 24 -5.337 -6.684 5.875 1.00 0.00 O ATOM 363 OD2 ASP A 24 -4.553 -8.708 5.527 1.00 0.00 O ATOM 0 H ASP A 24 -7.497 -7.399 4.893 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.551 -8.096 7.395 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.137 -8.732 7.860 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.838 -9.444 6.421 1.00 0.00 H new ATOM 368 N TYR A 25 -7.923 -6.424 9.108 1.00 0.00 N ATOM 369 CA TYR A 25 -7.680 -5.373 10.089 1.00 0.00 C ATOM 370 C TYR A 25 -6.986 -5.933 11.327 1.00 0.00 C ATOM 371 O TYR A 25 -6.833 -5.242 12.335 1.00 0.00 O ATOM 372 CB TYR A 25 -8.998 -4.706 10.489 1.00 0.00 C ATOM 373 CG TYR A 25 -9.662 -3.953 9.358 1.00 0.00 C ATOM 374 CD1 TYR A 25 -9.155 -2.738 8.914 1.00 0.00 C ATOM 375 CD2 TYR A 25 -10.797 -4.456 8.734 1.00 0.00 C ATOM 376 CE1 TYR A 25 -9.759 -2.046 7.882 1.00 0.00 C ATOM 377 CE2 TYR A 25 -11.407 -3.772 7.701 1.00 0.00 C ATOM 378 CZ TYR A 25 -10.884 -2.568 7.278 1.00 0.00 C ATOM 379 OH TYR A 25 -11.489 -1.882 6.250 1.00 0.00 O ATOM 0 H TYR A 25 -8.548 -7.164 9.428 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.026 -4.629 9.633 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.684 -5.468 10.859 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.812 -4.017 11.313 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.273 -2.327 9.384 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.209 -5.399 9.063 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.353 -1.102 7.550 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -12.289 -4.178 7.227 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.816 -1.363 5.763 1.00 0.00 H new ATOM 389 N THR A 26 -6.565 -7.191 11.243 1.00 0.00 N ATOM 390 CA THR A 26 -5.887 -7.846 12.354 1.00 0.00 C ATOM 391 C THR A 26 -4.495 -8.316 11.949 1.00 0.00 C ATOM 392 O THR A 26 -3.647 -8.584 12.800 1.00 0.00 O ATOM 393 CB THR A 26 -6.693 -9.053 12.872 1.00 0.00 C ATOM 394 OG1 THR A 26 -6.051 -9.613 14.023 1.00 0.00 O ATOM 395 CG2 THR A 26 -6.829 -10.116 11.792 1.00 0.00 C ATOM 0 H THR A 26 -6.682 -7.777 10.416 1.00 0.00 H new ATOM 0 HA THR A 26 -5.801 -7.107 13.151 1.00 0.00 H new ATOM 0 HB THR A 26 -7.690 -8.707 13.146 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.570 -10.378 14.347 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.402 -10.958 12.181 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.344 -9.694 10.929 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.839 -10.458 11.492 1.00 0.00 H new ATOM 403 N SER A 27 -4.265 -8.414 10.643 1.00 0.00 N ATOM 404 CA SER A 27 -2.975 -8.854 10.125 1.00 0.00 C ATOM 405 C SER A 27 -2.426 -7.853 9.113 1.00 0.00 C ATOM 406 O SER A 27 -2.040 -8.207 7.998 1.00 0.00 O ATOM 407 CB SER A 27 -3.107 -10.233 9.475 1.00 0.00 C ATOM 408 OG SER A 27 -2.909 -11.266 10.426 1.00 0.00 O ATOM 0 H SER A 27 -4.955 -8.195 9.925 1.00 0.00 H new ATOM 0 HA SER A 27 -2.278 -8.919 10.961 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.095 -10.333 9.025 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.378 -10.331 8.670 1.00 0.00 H new ATOM 0 HG SER A 27 -3.000 -12.137 9.986 1.00 0.00 H new ATOM 414 N PRO A 28 -2.389 -6.572 9.509 1.00 0.00 N ATOM 415 CA PRO A 28 -1.888 -5.493 8.653 1.00 0.00 C ATOM 416 C PRO A 28 -0.380 -5.573 8.441 1.00 0.00 C ATOM 417 O PRO A 28 0.296 -6.416 9.030 1.00 0.00 O ATOM 418 CB PRO A 28 -2.252 -4.226 9.430 1.00 0.00 C ATOM 419 CG PRO A 28 -2.329 -4.663 10.852 1.00 0.00 C ATOM 420 CD PRO A 28 -2.832 -6.079 10.824 1.00 0.00 C ATOM 0 HA PRO A 28 -2.318 -5.534 7.652 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.500 -3.449 9.295 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.202 -3.813 9.091 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.352 -4.606 11.331 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.001 -4.021 11.421 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.412 -6.671 11.637 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.916 -6.122 10.925 1.00 0.00 H new ATOM 428 N VAL A 29 0.142 -4.690 7.595 1.00 0.00 N ATOM 429 CA VAL A 29 1.570 -4.660 7.307 1.00 0.00 C ATOM 430 C VAL A 29 2.239 -3.457 7.964 1.00 0.00 C ATOM 431 O VAL A 29 1.887 -2.310 7.688 1.00 0.00 O ATOM 432 CB VAL A 29 1.836 -4.616 5.790 1.00 0.00 C ATOM 433 CG1 VAL A 29 1.306 -3.321 5.193 1.00 0.00 C ATOM 434 CG2 VAL A 29 3.322 -4.774 5.505 1.00 0.00 C ATOM 0 H VAL A 29 -0.403 -3.986 7.097 1.00 0.00 H new ATOM 0 HA VAL A 29 1.994 -5.577 7.717 1.00 0.00 H new ATOM 0 HB VAL A 29 1.309 -5.447 5.322 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.503 -3.307 4.121 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.232 -3.254 5.366 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.803 -2.473 5.664 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.492 -4.741 4.429 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.873 -3.965 5.984 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.668 -5.730 5.897 1.00 0.00 H new ATOM 444 N VAL A 30 3.206 -3.727 8.835 1.00 0.00 N ATOM 445 CA VAL A 30 3.925 -2.668 9.531 1.00 0.00 C ATOM 446 C VAL A 30 5.146 -2.217 8.736 1.00 0.00 C ATOM 447 O VAL A 30 6.193 -2.864 8.766 1.00 0.00 O ATOM 448 CB VAL A 30 4.378 -3.123 10.931 1.00 0.00 C ATOM 449 CG1 VAL A 30 4.864 -1.935 11.748 1.00 0.00 C ATOM 450 CG2 VAL A 30 3.248 -3.846 11.647 1.00 0.00 C ATOM 0 H VAL A 30 3.509 -4.671 9.075 1.00 0.00 H new ATOM 0 HA VAL A 30 3.233 -1.832 9.635 1.00 0.00 H new ATOM 0 HB VAL A 30 5.209 -3.819 10.817 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.180 -2.276 12.734 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.706 -1.464 11.240 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.055 -1.212 11.856 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.585 -4.161 12.635 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.395 -3.175 11.752 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.952 -4.721 11.069 1.00 0.00 H new ATOM 460 N LEU A 31 5.003 -1.105 8.024 1.00 0.00 N ATOM 461 CA LEU A 31 6.095 -0.566 7.220 1.00 0.00 C ATOM 462 C LEU A 31 6.833 0.536 7.972 1.00 0.00 C ATOM 463 O LEU A 31 6.239 1.323 8.710 1.00 0.00 O ATOM 464 CB LEU A 31 5.558 -0.024 5.894 1.00 0.00 C ATOM 465 CG LEU A 31 5.046 -1.067 4.900 1.00 0.00 C ATOM 466 CD1 LEU A 31 4.383 -0.390 3.710 1.00 0.00 C ATOM 467 CD2 LEU A 31 6.182 -1.967 4.439 1.00 0.00 C ATOM 0 H LEU A 31 4.142 -0.559 7.987 1.00 0.00 H new ATOM 0 HA LEU A 31 6.798 -1.374 7.017 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.747 0.671 6.111 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.349 0.550 5.412 1.00 0.00 H new ATOM 0 HG LEU A 31 4.301 -1.684 5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.025 -1.148 3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.542 0.212 4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.106 0.252 3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.799 -2.703 3.732 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.950 -1.364 3.955 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.612 -2.480 5.299 1.00 0.00 H new ATOM 479 N PRO A 32 8.159 0.598 7.780 1.00 0.00 N ATOM 480 CA PRO A 32 9.007 1.602 8.430 1.00 0.00 C ATOM 481 C PRO A 32 8.764 3.006 7.885 1.00 0.00 C ATOM 482 O PRO A 32 8.882 3.244 6.683 1.00 0.00 O ATOM 483 CB PRO A 32 10.427 1.137 8.096 1.00 0.00 C ATOM 484 CG PRO A 32 10.282 0.352 6.839 1.00 0.00 C ATOM 485 CD PRO A 32 8.933 -0.308 6.915 1.00 0.00 C ATOM 0 HA PRO A 32 8.808 1.674 9.499 1.00 0.00 H new ATOM 0 HB2 PRO A 32 11.099 1.984 7.959 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.843 0.527 8.898 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.351 0.999 5.965 1.00 0.00 H new ATOM 0 HG3 PRO A 32 11.075 -0.390 6.749 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.479 -0.408 5.929 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.999 -1.310 7.339 1.00 0.00 H new ATOM 493 N TYR A 33 8.426 3.931 8.776 1.00 0.00 N ATOM 494 CA TYR A 33 8.165 5.311 8.384 1.00 0.00 C ATOM 495 C TYR A 33 9.177 5.782 7.344 1.00 0.00 C ATOM 496 O TYR A 33 8.809 6.165 6.233 1.00 0.00 O ATOM 497 CB TYR A 33 8.210 6.228 9.607 1.00 0.00 C ATOM 498 CG TYR A 33 7.485 7.539 9.408 1.00 0.00 C ATOM 499 CD1 TYR A 33 8.091 8.597 8.740 1.00 0.00 C ATOM 500 CD2 TYR A 33 6.193 7.721 9.886 1.00 0.00 C ATOM 501 CE1 TYR A 33 7.432 9.797 8.556 1.00 0.00 C ATOM 502 CE2 TYR A 33 5.526 8.917 9.705 1.00 0.00 C ATOM 503 CZ TYR A 33 6.150 9.952 9.040 1.00 0.00 C ATOM 504 OH TYR A 33 5.489 11.146 8.858 1.00 0.00 O ATOM 0 H TYR A 33 8.326 3.750 9.775 1.00 0.00 H new ATOM 0 HA TYR A 33 7.170 5.354 7.942 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.772 5.706 10.458 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.251 6.433 9.859 1.00 0.00 H new ATOM 0 HD1 TYR A 33 9.094 8.479 8.358 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.702 6.913 10.408 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.918 10.609 8.036 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.522 9.041 10.082 1.00 0.00 H new ATOM 0 HH TYR A 33 4.596 11.090 9.257 1.00 0.00 H new ATOM 514 N SER A 34 10.454 5.750 7.712 1.00 0.00 N ATOM 515 CA SER A 34 11.520 6.176 6.813 1.00 0.00 C ATOM 516 C SER A 34 11.183 5.826 5.367 1.00 0.00 C ATOM 517 O SER A 34 11.437 6.610 4.452 1.00 0.00 O ATOM 518 CB SER A 34 12.844 5.524 7.213 1.00 0.00 C ATOM 519 OG SER A 34 12.879 4.161 6.827 1.00 0.00 O ATOM 0 H SER A 34 10.775 5.433 8.627 1.00 0.00 H new ATOM 0 HA SER A 34 11.618 7.259 6.893 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.672 6.059 6.747 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.981 5.603 8.291 1.00 0.00 H new ATOM 0 HG SER A 34 13.736 3.768 7.093 1.00 0.00 H new ATOM 525 N ARG A 35 10.611 4.643 5.169 1.00 0.00 N ATOM 526 CA ARG A 35 10.241 4.187 3.835 1.00 0.00 C ATOM 527 C ARG A 35 8.752 3.862 3.765 1.00 0.00 C ATOM 528 O ARG A 35 8.320 2.786 4.181 1.00 0.00 O ATOM 529 CB ARG A 35 11.062 2.956 3.448 1.00 0.00 C ATOM 530 CG ARG A 35 12.562 3.195 3.459 1.00 0.00 C ATOM 531 CD ARG A 35 12.968 4.240 2.431 1.00 0.00 C ATOM 532 NE ARG A 35 14.400 4.204 2.150 1.00 0.00 N ATOM 533 CZ ARG A 35 14.975 3.285 1.382 1.00 0.00 C ATOM 534 NH1 ARG A 35 14.243 2.332 0.821 1.00 0.00 N ATOM 535 NH2 ARG A 35 16.285 3.318 1.172 1.00 0.00 N ATOM 0 H ARG A 35 10.394 3.983 5.916 1.00 0.00 H new ATOM 0 HA ARG A 35 10.453 4.992 3.131 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.827 2.143 4.135 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.762 2.629 2.452 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.872 3.520 4.452 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.082 2.259 3.253 1.00 0.00 H new ATOM 0 HD2 ARG A 35 12.413 4.075 1.507 1.00 0.00 H new ATOM 0 HD3 ARG A 35 12.695 5.231 2.794 1.00 0.00 H new ATOM 0 HE ARG A 35 14.991 4.924 2.566 1.00 0.00 H new ATOM 0 HH11 ARG A 35 13.236 2.303 0.979 1.00 0.00 H new ATOM 0 HH12 ARG A 35 14.687 1.628 0.232 1.00 0.00 H new ATOM 0 HH21 ARG A 35 16.852 4.050 1.601 1.00 0.00 H new ATOM 0 HH22 ARG A 35 16.725 2.612 0.582 1.00 0.00 H new ATOM 549 N THR A 36 7.970 4.799 3.238 1.00 0.00 N ATOM 550 CA THR A 36 6.530 4.613 3.116 1.00 0.00 C ATOM 551 C THR A 36 6.041 5.008 1.727 1.00 0.00 C ATOM 552 O THR A 36 6.021 6.188 1.376 1.00 0.00 O ATOM 553 CB THR A 36 5.766 5.436 4.170 1.00 0.00 C ATOM 554 OG1 THR A 36 6.367 6.728 4.314 1.00 0.00 O ATOM 555 CG2 THR A 36 5.759 4.722 5.513 1.00 0.00 C ATOM 0 H THR A 36 8.310 5.695 2.889 1.00 0.00 H new ATOM 0 HA THR A 36 6.333 3.554 3.280 1.00 0.00 H new ATOM 0 HB THR A 36 4.736 5.551 3.832 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.147 6.662 4.903 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.214 5.322 6.241 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.274 3.752 5.407 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.784 4.580 5.855 1.00 0.00 H new ATOM 563 N THR A 37 5.645 4.013 0.939 1.00 0.00 N ATOM 564 CA THR A 37 5.156 4.256 -0.412 1.00 0.00 C ATOM 565 C THR A 37 4.487 3.013 -0.987 1.00 0.00 C ATOM 566 O THR A 37 4.811 1.889 -0.606 1.00 0.00 O ATOM 567 CB THR A 37 6.295 4.694 -1.352 1.00 0.00 C ATOM 568 OG1 THR A 37 7.533 4.117 -0.922 1.00 0.00 O ATOM 569 CG2 THR A 37 6.420 6.209 -1.383 1.00 0.00 C ATOM 0 H THR A 37 5.654 3.031 1.214 1.00 0.00 H new ATOM 0 HA THR A 37 4.423 5.060 -0.342 1.00 0.00 H new ATOM 0 HB THR A 37 6.061 4.345 -2.358 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.252 4.398 -1.525 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.231 6.494 -2.054 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.486 6.644 -1.738 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.633 6.577 -0.379 1.00 0.00 H new ATOM 577 N VAL A 38 3.552 3.222 -1.908 1.00 0.00 N ATOM 578 CA VAL A 38 2.838 2.118 -2.538 1.00 0.00 C ATOM 579 C VAL A 38 3.809 1.078 -3.087 1.00 0.00 C ATOM 580 O VAL A 38 3.641 -0.120 -2.864 1.00 0.00 O ATOM 581 CB VAL A 38 1.933 2.613 -3.681 1.00 0.00 C ATOM 582 CG1 VAL A 38 1.543 1.459 -4.592 1.00 0.00 C ATOM 583 CG2 VAL A 38 0.697 3.302 -3.121 1.00 0.00 C ATOM 0 H VAL A 38 3.271 4.147 -2.235 1.00 0.00 H new ATOM 0 HA VAL A 38 2.218 1.661 -1.767 1.00 0.00 H new ATOM 0 HB VAL A 38 2.490 3.339 -4.273 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.903 1.828 -5.394 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.441 1.014 -5.020 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.004 0.707 -4.016 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.068 3.646 -3.942 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.136 2.599 -2.505 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.000 4.155 -2.514 1.00 0.00 H new ATOM 593 N GLU A 39 4.825 1.546 -3.806 1.00 0.00 N ATOM 594 CA GLU A 39 5.822 0.656 -4.387 1.00 0.00 C ATOM 595 C GLU A 39 6.576 -0.102 -3.298 1.00 0.00 C ATOM 596 O GLU A 39 7.176 -1.145 -3.555 1.00 0.00 O ATOM 597 CB GLU A 39 6.809 1.451 -5.246 1.00 0.00 C ATOM 598 CG GLU A 39 8.016 1.957 -4.475 1.00 0.00 C ATOM 599 CD GLU A 39 9.046 2.617 -5.371 1.00 0.00 C ATOM 600 OE1 GLU A 39 8.659 3.481 -6.185 1.00 0.00 O ATOM 601 OE2 GLU A 39 10.240 2.268 -5.259 1.00 0.00 O ATOM 0 H GLU A 39 4.979 2.536 -4.000 1.00 0.00 H new ATOM 0 HA GLU A 39 5.303 -0.067 -5.016 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.151 0.822 -6.068 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.289 2.300 -5.690 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.687 2.670 -3.719 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.480 1.124 -3.946 1.00 0.00 H new ATOM 608 N ASP A 40 6.539 0.430 -2.081 1.00 0.00 N ATOM 609 CA ASP A 40 7.217 -0.195 -0.952 1.00 0.00 C ATOM 610 C ASP A 40 6.402 -1.365 -0.409 1.00 0.00 C ATOM 611 O ASP A 40 6.959 -2.365 0.044 1.00 0.00 O ATOM 612 CB ASP A 40 7.461 0.830 0.156 1.00 0.00 C ATOM 613 CG ASP A 40 8.508 0.370 1.151 1.00 0.00 C ATOM 614 OD1 ASP A 40 8.165 -0.436 2.041 1.00 0.00 O ATOM 615 OD2 ASP A 40 9.669 0.815 1.041 1.00 0.00 O ATOM 0 H ASP A 40 6.046 1.293 -1.851 1.00 0.00 H new ATOM 0 HA ASP A 40 8.177 -0.575 -1.302 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.777 1.773 -0.289 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.525 1.023 0.681 1.00 0.00 H new ATOM 620 N PHE A 41 5.081 -1.232 -0.458 1.00 0.00 N ATOM 621 CA PHE A 41 4.189 -2.277 0.031 1.00 0.00 C ATOM 622 C PHE A 41 4.141 -3.450 -0.943 1.00 0.00 C ATOM 623 O PHE A 41 4.313 -4.605 -0.550 1.00 0.00 O ATOM 624 CB PHE A 41 2.781 -1.717 0.243 1.00 0.00 C ATOM 625 CG PHE A 41 1.730 -2.779 0.394 1.00 0.00 C ATOM 626 CD1 PHE A 41 1.283 -3.492 -0.707 1.00 0.00 C ATOM 627 CD2 PHE A 41 1.188 -3.065 1.637 1.00 0.00 C ATOM 628 CE1 PHE A 41 0.316 -4.470 -0.571 1.00 0.00 C ATOM 629 CE2 PHE A 41 0.222 -4.043 1.779 1.00 0.00 C ATOM 630 CZ PHE A 41 -0.216 -4.745 0.673 1.00 0.00 C ATOM 0 H PHE A 41 4.604 -0.411 -0.831 1.00 0.00 H new ATOM 0 HA PHE A 41 4.577 -2.635 0.985 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.779 -1.087 1.132 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.522 -1.078 -0.601 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.695 -3.281 -1.683 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.524 -2.517 2.505 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.023 -5.019 -1.437 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.190 -4.258 2.754 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.973 -5.508 0.781 1.00 0.00 H new ATOM 640 N CYS A 42 3.904 -3.147 -2.214 1.00 0.00 N ATOM 641 CA CYS A 42 3.831 -4.176 -3.245 1.00 0.00 C ATOM 642 C CYS A 42 4.934 -5.212 -3.059 1.00 0.00 C ATOM 643 O CYS A 42 4.740 -6.396 -3.331 1.00 0.00 O ATOM 644 CB CYS A 42 3.938 -3.544 -4.634 1.00 0.00 C ATOM 645 SG CYS A 42 5.584 -2.909 -5.031 1.00 0.00 S ATOM 0 H CYS A 42 3.759 -2.197 -2.556 1.00 0.00 H new ATOM 0 HA CYS A 42 2.868 -4.678 -3.155 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.656 -4.286 -5.382 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.218 -2.729 -4.707 1.00 0.00 H new ATOM 0 HG CYS A 42 6.163 -2.493 -3.944 1.00 0.00 H new ATOM 651 N MET A 43 6.093 -4.757 -2.593 1.00 0.00 N ATOM 652 CA MET A 43 7.228 -5.646 -2.371 1.00 0.00 C ATOM 653 C MET A 43 6.937 -6.627 -1.240 1.00 0.00 C ATOM 654 O MET A 43 7.170 -7.829 -1.371 1.00 0.00 O ATOM 655 CB MET A 43 8.483 -4.833 -2.046 1.00 0.00 C ATOM 656 CG MET A 43 8.988 -4.001 -3.214 1.00 0.00 C ATOM 657 SD MET A 43 9.721 -5.008 -4.518 1.00 0.00 S ATOM 658 CE MET A 43 8.773 -4.465 -5.937 1.00 0.00 C ATOM 0 H MET A 43 6.271 -3.779 -2.362 1.00 0.00 H new ATOM 0 HA MET A 43 7.398 -6.214 -3.286 1.00 0.00 H new ATOM 0 HB2 MET A 43 8.270 -4.173 -1.205 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.273 -5.512 -1.726 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.162 -3.423 -3.628 1.00 0.00 H new ATOM 0 HG3 MET A 43 9.728 -3.286 -2.853 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.201 -4.890 -6.845 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.740 -4.797 -5.833 1.00 0.00 H new ATOM 0 HE3 MET A 43 8.800 -3.377 -5.998 1.00 0.00 H new ATOM 668 N LYS A 44 6.426 -6.108 -0.129 1.00 0.00 N ATOM 669 CA LYS A 44 6.101 -6.938 1.025 1.00 0.00 C ATOM 670 C LYS A 44 5.330 -8.183 0.600 1.00 0.00 C ATOM 671 O LYS A 44 5.669 -9.299 0.995 1.00 0.00 O ATOM 672 CB LYS A 44 5.280 -6.138 2.039 1.00 0.00 C ATOM 673 CG LYS A 44 6.127 -5.409 3.068 1.00 0.00 C ATOM 674 CD LYS A 44 6.764 -6.376 4.052 1.00 0.00 C ATOM 675 CE LYS A 44 7.228 -5.663 5.313 1.00 0.00 C ATOM 676 NZ LYS A 44 8.630 -5.177 5.192 1.00 0.00 N ATOM 0 H LYS A 44 6.228 -5.115 -0.003 1.00 0.00 H new ATOM 0 HA LYS A 44 7.035 -7.252 1.490 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.667 -5.412 1.505 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.598 -6.813 2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.905 -4.838 2.561 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.508 -4.693 3.609 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.047 -7.154 4.315 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.612 -6.871 3.580 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.568 -4.820 5.517 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.151 -6.341 6.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.908 -4.697 6.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.264 -5.984 5.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.699 -4.510 4.397 1.00 0.00 H new ATOM 690 N ILE A 45 4.293 -7.985 -0.207 1.00 0.00 N ATOM 691 CA ILE A 45 3.477 -9.093 -0.688 1.00 0.00 C ATOM 692 C ILE A 45 4.239 -9.937 -1.704 1.00 0.00 C ATOM 693 O ILE A 45 4.352 -11.154 -1.556 1.00 0.00 O ATOM 694 CB ILE A 45 2.170 -8.592 -1.330 1.00 0.00 C ATOM 695 CG1 ILE A 45 1.448 -7.628 -0.385 1.00 0.00 C ATOM 696 CG2 ILE A 45 1.271 -9.766 -1.685 1.00 0.00 C ATOM 697 CD1 ILE A 45 1.521 -8.040 1.069 1.00 0.00 C ATOM 0 H ILE A 45 3.998 -7.068 -0.541 1.00 0.00 H new ATOM 0 HA ILE A 45 3.234 -9.706 0.180 1.00 0.00 H new ATOM 0 HB ILE A 45 2.415 -8.056 -2.247 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.879 -6.633 -0.495 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.402 -7.556 -0.682 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.351 -9.396 -2.138 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.786 -10.418 -2.390 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.031 -10.326 -0.782 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.989 -7.312 1.681 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.063 -9.021 1.192 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.564 -8.084 1.383 1.00 0.00 H new ATOM 709 N HIS A 46 4.761 -9.282 -2.736 1.00 0.00 N ATOM 710 CA HIS A 46 5.515 -9.972 -3.777 1.00 0.00 C ATOM 711 C HIS A 46 6.623 -9.079 -4.327 1.00 0.00 C ATOM 712 O HIS A 46 6.464 -7.862 -4.424 1.00 0.00 O ATOM 713 CB HIS A 46 4.583 -10.405 -4.909 1.00 0.00 C ATOM 714 CG HIS A 46 5.027 -11.655 -5.605 1.00 0.00 C ATOM 715 ND1 HIS A 46 5.493 -11.669 -6.902 1.00 0.00 N ATOM 716 CD2 HIS A 46 5.074 -12.938 -5.175 1.00 0.00 C ATOM 717 CE1 HIS A 46 5.807 -12.906 -7.242 1.00 0.00 C ATOM 718 NE2 HIS A 46 5.562 -13.696 -6.211 1.00 0.00 N ATOM 0 H HIS A 46 4.676 -8.275 -2.874 1.00 0.00 H new ATOM 0 HA HIS A 46 5.972 -10.857 -3.335 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.582 -10.559 -4.506 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.512 -9.598 -5.639 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.782 -13.298 -4.199 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.197 -13.219 -8.199 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.711 -14.705 -6.189 1.00 0.00 H new ATOM 727 N LYS A 47 7.747 -9.692 -4.685 1.00 0.00 N ATOM 728 CA LYS A 47 8.882 -8.954 -5.226 1.00 0.00 C ATOM 729 C LYS A 47 8.651 -8.597 -6.690 1.00 0.00 C ATOM 730 O LYS A 47 9.441 -7.873 -7.294 1.00 0.00 O ATOM 731 CB LYS A 47 10.165 -9.778 -5.087 1.00 0.00 C ATOM 732 CG LYS A 47 10.119 -11.104 -5.827 1.00 0.00 C ATOM 733 CD LYS A 47 11.206 -12.050 -5.344 1.00 0.00 C ATOM 734 CE LYS A 47 11.337 -13.260 -6.256 1.00 0.00 C ATOM 735 NZ LYS A 47 10.071 -14.041 -6.328 1.00 0.00 N ATOM 0 H LYS A 47 7.896 -10.698 -4.610 1.00 0.00 H new ATOM 0 HA LYS A 47 8.987 -8.030 -4.657 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.005 -9.192 -5.460 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.353 -9.968 -4.030 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.143 -11.567 -5.685 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.236 -10.929 -6.896 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.158 -11.521 -5.301 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.979 -12.380 -4.330 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.618 -12.932 -7.257 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.140 -13.902 -5.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.241 -15.010 -5.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.350 -13.589 -5.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.736 -14.070 -7.312 1.00 0.00 H new ATOM 749 N ASN A 48 7.562 -9.108 -7.255 1.00 0.00 N ATOM 750 CA ASN A 48 7.226 -8.841 -8.649 1.00 0.00 C ATOM 751 C ASN A 48 5.765 -8.423 -8.786 1.00 0.00 C ATOM 752 O ASN A 48 5.137 -8.653 -9.820 1.00 0.00 O ATOM 753 CB ASN A 48 7.496 -10.080 -9.506 1.00 0.00 C ATOM 754 CG ASN A 48 8.778 -10.787 -9.112 1.00 0.00 C ATOM 755 OD1 ASN A 48 9.867 -10.412 -9.549 1.00 0.00 O ATOM 756 ND2 ASN A 48 8.655 -11.816 -8.282 1.00 0.00 N ATOM 0 H ASN A 48 6.897 -9.709 -6.769 1.00 0.00 H new ATOM 0 HA ASN A 48 7.854 -8.021 -8.998 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.659 -10.772 -9.413 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.553 -9.788 -10.555 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.483 -12.331 -7.981 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.733 -12.092 -7.945 1.00 0.00 H new ATOM 763 N LEU A 49 5.231 -7.806 -7.738 1.00 0.00 N ATOM 764 CA LEU A 49 3.844 -7.354 -7.740 1.00 0.00 C ATOM 765 C LEU A 49 3.704 -6.034 -8.492 1.00 0.00 C ATOM 766 O LEU A 49 2.764 -5.846 -9.265 1.00 0.00 O ATOM 767 CB LEU A 49 3.336 -7.194 -6.306 1.00 0.00 C ATOM 768 CG LEU A 49 2.046 -6.392 -6.137 1.00 0.00 C ATOM 769 CD1 LEU A 49 0.950 -6.949 -7.033 1.00 0.00 C ATOM 770 CD2 LEU A 49 1.601 -6.398 -4.682 1.00 0.00 C ATOM 0 H LEU A 49 5.738 -7.607 -6.875 1.00 0.00 H new ATOM 0 HA LEU A 49 3.243 -8.107 -8.249 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.181 -8.187 -5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.118 -6.715 -5.716 1.00 0.00 H new ATOM 0 HG LEU A 49 2.241 -5.361 -6.433 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.039 -6.366 -6.899 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.267 -6.893 -8.074 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.757 -7.989 -6.768 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.681 -5.822 -4.580 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.424 -7.424 -4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.379 -5.952 -4.062 1.00 0.00 H new ATOM 782 N ILE A 50 4.644 -5.125 -8.261 1.00 0.00 N ATOM 783 CA ILE A 50 4.627 -3.824 -8.919 1.00 0.00 C ATOM 784 C ILE A 50 4.477 -3.974 -10.429 1.00 0.00 C ATOM 785 O ILE A 50 4.059 -3.043 -11.119 1.00 0.00 O ATOM 786 CB ILE A 50 5.907 -3.023 -8.619 1.00 0.00 C ATOM 787 CG1 ILE A 50 5.713 -1.551 -8.987 1.00 0.00 C ATOM 788 CG2 ILE A 50 7.090 -3.613 -9.374 1.00 0.00 C ATOM 789 CD1 ILE A 50 4.861 -0.788 -7.998 1.00 0.00 C ATOM 0 H ILE A 50 5.427 -5.265 -7.623 1.00 0.00 H new ATOM 0 HA ILE A 50 3.769 -3.282 -8.522 1.00 0.00 H new ATOM 0 HB ILE A 50 6.115 -3.085 -7.551 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.689 -1.071 -9.059 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.254 -1.489 -9.974 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.988 -3.036 -9.152 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.238 -4.648 -9.066 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.892 -3.578 -10.445 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.766 0.248 -8.323 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.872 -1.243 -7.943 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.330 -0.819 -7.014 1.00 0.00 H new ATOM 801 N LYS A 51 4.819 -5.153 -10.938 1.00 0.00 N ATOM 802 CA LYS A 51 4.720 -5.428 -12.367 1.00 0.00 C ATOM 803 C LYS A 51 3.262 -5.513 -12.805 1.00 0.00 C ATOM 804 O LYS A 51 2.922 -5.161 -13.934 1.00 0.00 O ATOM 805 CB LYS A 51 5.443 -6.733 -12.707 1.00 0.00 C ATOM 806 CG LYS A 51 6.876 -6.783 -12.205 1.00 0.00 C ATOM 807 CD LYS A 51 7.637 -5.517 -12.562 1.00 0.00 C ATOM 808 CE LYS A 51 7.601 -5.250 -14.059 1.00 0.00 C ATOM 809 NZ LYS A 51 8.694 -4.332 -14.485 1.00 0.00 N ATOM 0 H LYS A 51 5.167 -5.934 -10.382 1.00 0.00 H new ATOM 0 HA LYS A 51 5.194 -4.606 -12.904 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.888 -7.568 -12.280 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.441 -6.869 -13.789 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.879 -6.917 -11.123 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.383 -7.647 -12.635 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.206 -4.669 -12.029 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.672 -5.608 -12.232 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.688 -6.193 -14.598 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.637 -4.817 -14.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.635 -4.175 -15.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.597 -3.423 -13.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.614 -4.756 -14.252 1.00 0.00 H new ATOM 823 N GLU A 52 2.404 -5.983 -11.904 1.00 0.00 N ATOM 824 CA GLU A 52 0.982 -6.113 -12.199 1.00 0.00 C ATOM 825 C GLU A 52 0.192 -4.956 -11.593 1.00 0.00 C ATOM 826 O GLU A 52 -0.854 -4.566 -12.110 1.00 0.00 O ATOM 827 CB GLU A 52 0.448 -7.444 -11.666 1.00 0.00 C ATOM 828 CG GLU A 52 1.297 -8.642 -12.059 1.00 0.00 C ATOM 829 CD GLU A 52 1.066 -9.074 -13.494 1.00 0.00 C ATOM 830 OE1 GLU A 52 0.946 -8.191 -14.369 1.00 0.00 O ATOM 831 OE2 GLU A 52 1.005 -10.297 -13.742 1.00 0.00 O ATOM 0 H GLU A 52 2.669 -6.280 -10.965 1.00 0.00 H new ATOM 0 HA GLU A 52 0.858 -6.087 -13.282 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.388 -7.393 -10.579 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.567 -7.592 -12.034 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.350 -8.397 -11.922 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.074 -9.475 -11.392 1.00 0.00 H new ATOM 838 N PHE A 53 0.701 -4.413 -10.492 1.00 0.00 N ATOM 839 CA PHE A 53 0.043 -3.303 -9.813 1.00 0.00 C ATOM 840 C PHE A 53 -0.307 -2.193 -10.800 1.00 0.00 C ATOM 841 O PHE A 53 0.575 -1.579 -11.401 1.00 0.00 O ATOM 842 CB PHE A 53 0.942 -2.750 -8.705 1.00 0.00 C ATOM 843 CG PHE A 53 0.513 -1.401 -8.202 1.00 0.00 C ATOM 844 CD1 PHE A 53 -0.535 -1.284 -7.304 1.00 0.00 C ATOM 845 CD2 PHE A 53 1.158 -0.251 -8.627 1.00 0.00 C ATOM 846 CE1 PHE A 53 -0.933 -0.044 -6.838 1.00 0.00 C ATOM 847 CE2 PHE A 53 0.766 0.991 -8.165 1.00 0.00 C ATOM 848 CZ PHE A 53 -0.282 1.095 -7.271 1.00 0.00 C ATOM 0 H PHE A 53 1.567 -4.724 -10.051 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.880 -3.677 -9.370 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.953 -3.453 -7.872 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.964 -2.682 -9.078 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.048 -2.172 -6.964 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.977 -0.326 -9.327 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.751 0.034 -6.137 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.279 1.880 -8.503 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.592 2.065 -6.911 1.00 0.00 H new ATOM 858 N LYS A 54 -1.602 -1.942 -10.964 1.00 0.00 N ATOM 859 CA LYS A 54 -2.071 -0.907 -11.877 1.00 0.00 C ATOM 860 C LYS A 54 -2.360 0.390 -11.127 1.00 0.00 C ATOM 861 O LYS A 54 -1.999 1.475 -11.582 1.00 0.00 O ATOM 862 CB LYS A 54 -3.331 -1.377 -12.609 1.00 0.00 C ATOM 863 CG LYS A 54 -3.744 -0.467 -13.753 1.00 0.00 C ATOM 864 CD LYS A 54 -5.111 -0.844 -14.299 1.00 0.00 C ATOM 865 CE LYS A 54 -5.818 0.357 -14.908 1.00 0.00 C ATOM 866 NZ LYS A 54 -6.749 -0.043 -15.999 1.00 0.00 N ATOM 0 H LYS A 54 -2.345 -2.442 -10.476 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.284 -0.717 -12.606 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.162 -2.381 -12.997 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.152 -1.445 -11.895 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.761 0.567 -13.409 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.004 -0.525 -14.551 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.001 -1.623 -15.053 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.722 -1.260 -13.498 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.373 0.884 -14.132 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.078 1.054 -15.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.211 0.803 -16.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.216 -0.524 -16.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.471 -0.689 -15.620 1.00 0.00 H new ATOM 880 N TYR A 55 -3.012 0.269 -9.976 1.00 0.00 N ATOM 881 CA TYR A 55 -3.350 1.432 -9.163 1.00 0.00 C ATOM 882 C TYR A 55 -3.779 1.011 -7.761 1.00 0.00 C ATOM 883 O TYR A 55 -3.981 -0.173 -7.491 1.00 0.00 O ATOM 884 CB TYR A 55 -4.467 2.238 -9.829 1.00 0.00 C ATOM 885 CG TYR A 55 -5.744 1.454 -10.029 1.00 0.00 C ATOM 886 CD1 TYR A 55 -5.962 0.728 -11.193 1.00 0.00 C ATOM 887 CD2 TYR A 55 -6.732 1.438 -9.052 1.00 0.00 C ATOM 888 CE1 TYR A 55 -7.128 0.011 -11.379 1.00 0.00 C ATOM 889 CE2 TYR A 55 -7.900 0.723 -9.229 1.00 0.00 C ATOM 890 CZ TYR A 55 -8.094 0.011 -10.395 1.00 0.00 C ATOM 891 OH TYR A 55 -9.256 -0.703 -10.576 1.00 0.00 O ATOM 0 H TYR A 55 -3.317 -0.622 -9.585 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.460 2.056 -9.079 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.682 3.117 -9.221 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.116 2.598 -10.796 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.207 0.724 -11.966 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.584 1.994 -8.138 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.282 -0.547 -12.291 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -8.657 0.721 -8.459 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.830 -0.599 -9.789 1.00 0.00 H new ATOM 901 N ALA A 56 -3.915 1.989 -6.872 1.00 0.00 N ATOM 902 CA ALA A 56 -4.322 1.722 -5.498 1.00 0.00 C ATOM 903 C ALA A 56 -5.358 2.737 -5.025 1.00 0.00 C ATOM 904 O ALA A 56 -5.256 3.928 -5.323 1.00 0.00 O ATOM 905 CB ALA A 56 -3.110 1.734 -4.577 1.00 0.00 C ATOM 0 H ALA A 56 -3.749 2.974 -7.079 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.780 0.733 -5.466 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.428 1.533 -3.554 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.404 0.967 -4.895 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.628 2.711 -4.622 1.00 0.00 H new ATOM 911 N LEU A 57 -6.354 2.258 -4.289 1.00 0.00 N ATOM 912 CA LEU A 57 -7.410 3.123 -3.775 1.00 0.00 C ATOM 913 C LEU A 57 -7.243 3.355 -2.277 1.00 0.00 C ATOM 914 O LEU A 57 -7.678 2.542 -1.460 1.00 0.00 O ATOM 915 CB LEU A 57 -8.782 2.509 -4.058 1.00 0.00 C ATOM 916 CG LEU A 57 -9.017 2.019 -5.488 1.00 0.00 C ATOM 917 CD1 LEU A 57 -10.037 0.892 -5.505 1.00 0.00 C ATOM 918 CD2 LEU A 57 -9.472 3.167 -6.377 1.00 0.00 C ATOM 0 H LEU A 57 -6.453 1.275 -4.035 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.337 4.085 -4.283 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.929 1.669 -3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.545 3.249 -3.819 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.075 1.634 -5.879 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.191 0.556 -6.530 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.671 0.061 -4.902 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.981 1.250 -5.094 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.634 2.800 -7.390 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.402 3.582 -5.988 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.706 3.943 -6.390 1.00 0.00 H new ATOM 930 N VAL A 58 -6.613 4.470 -1.922 1.00 0.00 N ATOM 931 CA VAL A 58 -6.392 4.811 -0.522 1.00 0.00 C ATOM 932 C VAL A 58 -7.670 5.334 0.125 1.00 0.00 C ATOM 933 O VAL A 58 -8.440 6.063 -0.500 1.00 0.00 O ATOM 934 CB VAL A 58 -5.282 5.869 -0.370 1.00 0.00 C ATOM 935 CG1 VAL A 58 -5.107 6.253 1.091 1.00 0.00 C ATOM 936 CG2 VAL A 58 -3.975 5.357 -0.957 1.00 0.00 C ATOM 0 H VAL A 58 -6.246 5.153 -2.585 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.082 3.895 -0.019 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.576 6.762 -0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.319 7.001 1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.041 6.664 1.474 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.835 5.370 1.669 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.202 6.117 -0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.673 4.449 -0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.113 5.138 -2.016 1.00 0.00 H new ATOM 946 N TRP A 59 -7.887 4.959 1.380 1.00 0.00 N ATOM 947 CA TRP A 59 -9.072 5.391 2.112 1.00 0.00 C ATOM 948 C TRP A 59 -8.691 5.982 3.465 1.00 0.00 C ATOM 949 O TRP A 59 -8.403 5.252 4.413 1.00 0.00 O ATOM 950 CB TRP A 59 -10.033 4.216 2.308 1.00 0.00 C ATOM 951 CG TRP A 59 -10.807 3.870 1.072 1.00 0.00 C ATOM 952 CD1 TRP A 59 -11.905 4.520 0.584 1.00 0.00 C ATOM 953 CD2 TRP A 59 -10.543 2.791 0.169 1.00 0.00 C ATOM 954 NE1 TRP A 59 -12.339 3.909 -0.568 1.00 0.00 N ATOM 955 CE2 TRP A 59 -11.520 2.847 -0.844 1.00 0.00 C ATOM 956 CE3 TRP A 59 -9.575 1.785 0.117 1.00 0.00 C ATOM 957 CZ2 TRP A 59 -11.555 1.933 -1.894 1.00 0.00 C ATOM 958 CZ3 TRP A 59 -9.611 0.879 -0.926 1.00 0.00 C ATOM 959 CH2 TRP A 59 -10.595 0.958 -1.921 1.00 0.00 C ATOM 0 H TRP A 59 -7.258 4.357 1.912 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.569 6.164 1.525 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -9.466 3.342 2.630 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.731 4.456 3.110 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -12.364 5.386 1.037 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -13.141 4.200 -1.127 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.812 1.717 0.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -12.314 1.992 -2.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -8.868 0.097 -0.975 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -10.596 0.236 -2.724 1.00 0.00 H new ATOM 970 N GLY A 60 -8.691 7.309 3.548 1.00 0.00 N ATOM 971 CA GLY A 60 -8.343 7.975 4.789 1.00 0.00 C ATOM 972 C GLY A 60 -7.951 9.424 4.580 1.00 0.00 C ATOM 973 O GLY A 60 -8.105 9.965 3.484 1.00 0.00 O ATOM 0 H GLY A 60 -8.926 7.935 2.777 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.190 7.926 5.474 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.518 7.444 5.264 1.00 0.00 H new ATOM 977 N LEU A 61 -7.443 10.056 5.632 1.00 0.00 N ATOM 978 CA LEU A 61 -7.029 11.453 5.560 1.00 0.00 C ATOM 979 C LEU A 61 -6.019 11.663 4.436 1.00 0.00 C ATOM 980 O LEU A 61 -6.035 12.691 3.758 1.00 0.00 O ATOM 981 CB LEU A 61 -6.425 11.896 6.893 1.00 0.00 C ATOM 982 CG LEU A 61 -7.246 11.573 8.142 1.00 0.00 C ATOM 983 CD1 LEU A 61 -6.334 11.360 9.340 1.00 0.00 C ATOM 984 CD2 LEU A 61 -8.248 12.683 8.423 1.00 0.00 C ATOM 0 H LEU A 61 -7.308 9.623 6.546 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.911 12.058 5.350 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.444 11.432 6.997 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.265 12.974 6.856 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.797 10.650 7.962 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.936 11.131 10.219 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.656 10.530 9.138 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.755 12.265 9.522 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.824 12.436 9.315 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.717 13.621 8.582 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.923 12.788 7.573 1.00 0.00 H new ATOM 996 N SER A 62 -5.143 10.683 4.243 1.00 0.00 N ATOM 997 CA SER A 62 -4.125 10.761 3.202 1.00 0.00 C ATOM 998 C SER A 62 -4.670 11.459 1.960 1.00 0.00 C ATOM 999 O SER A 62 -3.975 12.251 1.323 1.00 0.00 O ATOM 1000 CB SER A 62 -3.629 9.361 2.838 1.00 0.00 C ATOM 1001 OG SER A 62 -2.401 9.422 2.133 1.00 0.00 O ATOM 0 H SER A 62 -5.118 9.825 4.794 1.00 0.00 H new ATOM 0 HA SER A 62 -3.290 11.345 3.588 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.502 8.770 3.745 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.377 8.854 2.229 1.00 0.00 H new ATOM 0 HG SER A 62 -2.105 8.514 1.913 1.00 0.00 H new ATOM 1007 N VAL A 63 -5.920 11.159 1.621 1.00 0.00 N ATOM 1008 CA VAL A 63 -6.561 11.757 0.456 1.00 0.00 C ATOM 1009 C VAL A 63 -7.798 12.553 0.858 1.00 0.00 C ATOM 1010 O VAL A 63 -8.495 12.200 1.809 1.00 0.00 O ATOM 1011 CB VAL A 63 -6.965 10.686 -0.574 1.00 0.00 C ATOM 1012 CG1 VAL A 63 -5.730 10.026 -1.170 1.00 0.00 C ATOM 1013 CG2 VAL A 63 -7.878 9.651 0.064 1.00 0.00 C ATOM 0 H VAL A 63 -6.509 10.505 2.137 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.832 12.429 0.003 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.513 11.171 -1.381 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.035 9.272 -1.896 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -5.118 10.780 -1.665 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.152 9.553 -0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.154 8.902 -0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.358 9.168 0.891 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.778 10.140 0.437 1.00 0.00 H new ATOM 1023 N LYS A 64 -8.067 13.628 0.125 1.00 0.00 N ATOM 1024 CA LYS A 64 -9.221 14.475 0.402 1.00 0.00 C ATOM 1025 C LYS A 64 -10.514 13.790 -0.030 1.00 0.00 C ATOM 1026 O LYS A 64 -11.469 13.700 0.742 1.00 0.00 O ATOM 1027 CB LYS A 64 -9.079 15.818 -0.316 1.00 0.00 C ATOM 1028 CG LYS A 64 -7.998 16.710 0.270 1.00 0.00 C ATOM 1029 CD LYS A 64 -8.465 17.384 1.550 1.00 0.00 C ATOM 1030 CE LYS A 64 -7.289 17.799 2.422 1.00 0.00 C ATOM 1031 NZ LYS A 64 -7.731 18.569 3.618 1.00 0.00 N ATOM 0 H LYS A 64 -7.501 13.934 -0.666 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.263 14.648 1.477 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.858 15.637 -1.368 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.033 16.344 -0.277 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.107 16.117 0.474 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.716 17.469 -0.460 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.064 18.261 1.303 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.110 16.704 2.106 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.743 16.912 2.743 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.597 18.404 1.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.901 18.834 4.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.230 19.429 3.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.371 17.983 4.191 1.00 0.00 H new ATOM 1045 N HIS A 65 -10.537 13.307 -1.268 1.00 0.00 N ATOM 1046 CA HIS A 65 -11.712 12.627 -1.802 1.00 0.00 C ATOM 1047 C HIS A 65 -11.392 11.176 -2.146 1.00 0.00 C ATOM 1048 O HIS A 65 -10.648 10.901 -3.086 1.00 0.00 O ATOM 1049 CB HIS A 65 -12.228 13.356 -3.043 1.00 0.00 C ATOM 1050 CG HIS A 65 -12.297 14.843 -2.879 1.00 0.00 C ATOM 1051 ND1 HIS A 65 -13.486 15.534 -2.770 1.00 0.00 N ATOM 1052 CD2 HIS A 65 -11.315 15.772 -2.805 1.00 0.00 C ATOM 1053 CE1 HIS A 65 -13.232 16.824 -2.637 1.00 0.00 C ATOM 1054 NE2 HIS A 65 -11.922 16.995 -2.655 1.00 0.00 N ATOM 0 H HIS A 65 -9.756 13.374 -1.920 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.486 12.637 -1.035 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.580 13.122 -3.888 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -13.221 12.979 -3.289 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -10.252 15.586 -2.855 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -13.970 17.606 -2.532 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -11.440 17.890 -2.571 1.00 0.00 H new ATOM 1063 N ASN A 66 -11.958 10.252 -1.376 1.00 0.00 N ATOM 1064 CA ASN A 66 -11.731 8.828 -1.599 1.00 0.00 C ATOM 1065 C ASN A 66 -13.017 8.134 -2.036 1.00 0.00 C ATOM 1066 O ASN A 66 -14.125 8.591 -1.754 1.00 0.00 O ATOM 1067 CB ASN A 66 -11.190 8.172 -0.327 1.00 0.00 C ATOM 1068 CG ASN A 66 -11.910 8.647 0.920 1.00 0.00 C ATOM 1069 OD1 ASN A 66 -13.138 8.732 0.946 1.00 0.00 O ATOM 1070 ND2 ASN A 66 -11.147 8.959 1.961 1.00 0.00 N ATOM 0 H ASN A 66 -12.577 10.463 -0.593 1.00 0.00 H new ATOM 0 HA ASN A 66 -10.994 8.723 -2.396 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.288 7.090 -0.410 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.126 8.389 -0.234 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -11.575 9.285 2.828 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.133 8.873 1.894 1.00 0.00 H new ATOM 1077 N PRO A 67 -12.869 7.003 -2.742 1.00 0.00 N ATOM 1078 CA PRO A 67 -11.555 6.450 -3.084 1.00 0.00 C ATOM 1079 C PRO A 67 -10.817 7.303 -4.111 1.00 0.00 C ATOM 1080 O PRO A 67 -11.437 7.948 -4.955 1.00 0.00 O ATOM 1081 CB PRO A 67 -11.890 5.077 -3.671 1.00 0.00 C ATOM 1082 CG PRO A 67 -13.282 5.214 -4.186 1.00 0.00 C ATOM 1083 CD PRO A 67 -13.972 6.177 -3.260 1.00 0.00 C ATOM 0 HA PRO A 67 -10.892 6.409 -2.220 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.198 4.808 -4.469 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -11.823 4.296 -2.914 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.284 5.587 -5.210 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -13.791 4.250 -4.197 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -14.712 6.780 -3.786 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -14.496 5.657 -2.458 1.00 0.00 H new ATOM 1091 N GLN A 68 -9.490 7.300 -4.031 1.00 0.00 N ATOM 1092 CA GLN A 68 -8.669 8.074 -4.954 1.00 0.00 C ATOM 1093 C GLN A 68 -7.599 7.197 -5.598 1.00 0.00 C ATOM 1094 O GLN A 68 -6.918 6.429 -4.917 1.00 0.00 O ATOM 1095 CB GLN A 68 -8.012 9.247 -4.225 1.00 0.00 C ATOM 1096 CG GLN A 68 -7.162 10.126 -5.128 1.00 0.00 C ATOM 1097 CD GLN A 68 -6.800 11.449 -4.482 1.00 0.00 C ATOM 1098 OE1 GLN A 68 -7.665 12.160 -3.969 1.00 0.00 O ATOM 1099 NE2 GLN A 68 -5.516 11.786 -4.502 1.00 0.00 N ATOM 0 H GLN A 68 -8.961 6.771 -3.337 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.318 8.461 -5.740 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.788 9.858 -3.764 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.389 8.860 -3.418 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.249 9.593 -5.392 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.701 10.315 -6.057 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.833 11.167 -4.938 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.213 12.664 -4.081 1.00 0.00 H new ATOM 1108 N LYS A 69 -7.457 7.316 -6.913 1.00 0.00 N ATOM 1109 CA LYS A 69 -6.470 6.535 -7.650 1.00 0.00 C ATOM 1110 C LYS A 69 -5.060 7.051 -7.384 1.00 0.00 C ATOM 1111 O LYS A 69 -4.790 8.245 -7.514 1.00 0.00 O ATOM 1112 CB LYS A 69 -6.768 6.584 -9.151 1.00 0.00 C ATOM 1113 CG LYS A 69 -6.170 5.424 -9.928 1.00 0.00 C ATOM 1114 CD LYS A 69 -6.701 5.374 -11.351 1.00 0.00 C ATOM 1115 CE LYS A 69 -8.000 4.587 -11.434 1.00 0.00 C ATOM 1116 NZ LYS A 69 -8.544 4.561 -12.820 1.00 0.00 N ATOM 0 H LYS A 69 -8.013 7.946 -7.491 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.531 5.502 -7.307 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.848 6.591 -9.298 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.385 7.519 -9.559 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.084 5.519 -9.947 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.400 4.487 -9.420 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.865 6.388 -11.715 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.956 4.918 -12.003 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.829 3.566 -11.092 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.736 5.029 -10.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.429 4.015 -12.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.731 5.533 -13.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.852 4.116 -13.456 1.00 0.00 H new ATOM 1130 N VAL A 70 -4.163 6.143 -7.012 1.00 0.00 N ATOM 1131 CA VAL A 70 -2.779 6.506 -6.731 1.00 0.00 C ATOM 1132 C VAL A 70 -1.810 5.554 -7.421 1.00 0.00 C ATOM 1133 O VAL A 70 -2.150 4.408 -7.712 1.00 0.00 O ATOM 1134 CB VAL A 70 -2.495 6.502 -5.217 1.00 0.00 C ATOM 1135 CG1 VAL A 70 -3.424 7.467 -4.496 1.00 0.00 C ATOM 1136 CG2 VAL A 70 -2.632 5.096 -4.653 1.00 0.00 C ATOM 0 H VAL A 70 -4.370 5.151 -6.898 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.631 7.514 -7.119 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.470 6.835 -5.057 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.208 7.450 -3.428 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.271 8.475 -4.881 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.459 7.168 -4.662 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.428 5.112 -3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.645 4.733 -4.824 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.921 4.435 -5.148 1.00 0.00 H new ATOM 1146 N GLY A 71 -0.598 6.036 -7.681 1.00 0.00 N ATOM 1147 CA GLY A 71 0.403 5.215 -8.336 1.00 0.00 C ATOM 1148 C GLY A 71 1.330 4.534 -7.348 1.00 0.00 C ATOM 1149 O GLY A 71 0.932 4.219 -6.227 1.00 0.00 O ATOM 0 H GLY A 71 -0.292 6.981 -7.449 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.093 4.459 -8.945 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.991 5.835 -9.013 1.00 0.00 H new ATOM 1153 N LYS A 72 2.570 4.303 -7.766 1.00 0.00 N ATOM 1154 CA LYS A 72 3.557 3.655 -6.911 1.00 0.00 C ATOM 1155 C LYS A 72 4.422 4.689 -6.197 1.00 0.00 C ATOM 1156 O LYS A 72 5.221 4.347 -5.325 1.00 0.00 O ATOM 1157 CB LYS A 72 4.441 2.718 -7.738 1.00 0.00 C ATOM 1158 CG LYS A 72 5.536 3.437 -8.507 1.00 0.00 C ATOM 1159 CD LYS A 72 4.958 4.406 -9.525 1.00 0.00 C ATOM 1160 CE LYS A 72 5.959 4.719 -10.627 1.00 0.00 C ATOM 1161 NZ LYS A 72 6.824 5.879 -10.278 1.00 0.00 N ATOM 0 H LYS A 72 2.915 4.555 -8.692 1.00 0.00 H new ATOM 0 HA LYS A 72 3.024 3.073 -6.159 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.897 1.983 -7.075 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.815 2.168 -8.441 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.176 3.979 -7.810 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.165 2.706 -9.015 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.055 3.980 -9.962 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.665 5.329 -9.025 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.582 3.844 -10.811 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.425 4.930 -11.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.492 6.060 -11.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.232 6.721 -10.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.353 5.668 -9.408 1.00 0.00 H new ATOM 1175 N ASP A 73 4.256 5.952 -6.572 1.00 0.00 N ATOM 1176 CA ASP A 73 5.020 7.036 -5.965 1.00 0.00 C ATOM 1177 C ASP A 73 4.239 7.679 -4.824 1.00 0.00 C ATOM 1178 O ASP A 73 4.724 8.602 -4.168 1.00 0.00 O ATOM 1179 CB ASP A 73 5.373 8.090 -7.016 1.00 0.00 C ATOM 1180 CG ASP A 73 4.146 8.653 -7.706 1.00 0.00 C ATOM 1181 OD1 ASP A 73 3.599 7.969 -8.597 1.00 0.00 O ATOM 1182 OD2 ASP A 73 3.731 9.777 -7.354 1.00 0.00 O ATOM 0 H ASP A 73 3.600 6.251 -7.293 1.00 0.00 H new ATOM 0 HA ASP A 73 5.940 6.616 -5.559 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.924 8.902 -6.541 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.035 7.649 -7.761 1.00 0.00 H new ATOM 1187 N HIS A 74 3.026 7.186 -4.592 1.00 0.00 N ATOM 1188 CA HIS A 74 2.177 7.713 -3.530 1.00 0.00 C ATOM 1189 C HIS A 74 2.720 7.327 -2.158 1.00 0.00 C ATOM 1190 O HIS A 74 3.262 6.236 -1.977 1.00 0.00 O ATOM 1191 CB HIS A 74 0.746 7.197 -3.689 1.00 0.00 C ATOM 1192 CG HIS A 74 -0.200 7.730 -2.657 1.00 0.00 C ATOM 1193 ND1 HIS A 74 -0.774 8.981 -2.738 1.00 0.00 N ATOM 1194 CD2 HIS A 74 -0.674 7.173 -1.518 1.00 0.00 C ATOM 1195 CE1 HIS A 74 -1.559 9.171 -1.692 1.00 0.00 C ATOM 1196 NE2 HIS A 74 -1.516 8.088 -0.937 1.00 0.00 N ATOM 0 H HIS A 74 2.610 6.423 -5.125 1.00 0.00 H new ATOM 0 HA HIS A 74 2.174 8.800 -3.607 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.379 7.466 -4.680 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.753 6.108 -3.636 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.434 6.191 -1.137 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.137 10.060 -1.489 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -2.026 7.954 -0.064 1.00 0.00 H new ATOM 1205 N THR A 75 2.573 8.229 -1.192 1.00 0.00 N ATOM 1206 CA THR A 75 3.050 7.984 0.163 1.00 0.00 C ATOM 1207 C THR A 75 1.954 7.375 1.030 1.00 0.00 C ATOM 1208 O THR A 75 0.821 7.858 1.046 1.00 0.00 O ATOM 1209 CB THR A 75 3.553 9.281 0.825 1.00 0.00 C ATOM 1210 OG1 THR A 75 4.560 9.889 0.009 1.00 0.00 O ATOM 1211 CG2 THR A 75 4.116 8.998 2.209 1.00 0.00 C ATOM 0 H THR A 75 2.127 9.137 -1.324 1.00 0.00 H new ATOM 0 HA THR A 75 3.879 7.281 0.084 1.00 0.00 H new ATOM 0 HB THR A 75 2.709 9.963 0.926 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.873 10.714 0.436 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.465 9.928 2.657 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.338 8.563 2.836 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.949 8.300 2.127 1.00 0.00 H new ATOM 1219 N LEU A 76 2.298 6.314 1.751 1.00 0.00 N ATOM 1220 CA LEU A 76 1.343 5.639 2.623 1.00 0.00 C ATOM 1221 C LEU A 76 1.416 6.192 4.042 1.00 0.00 C ATOM 1222 O LEU A 76 2.472 6.636 4.492 1.00 0.00 O ATOM 1223 CB LEU A 76 1.610 4.133 2.636 1.00 0.00 C ATOM 1224 CG LEU A 76 1.241 3.375 1.360 1.00 0.00 C ATOM 1225 CD1 LEU A 76 1.837 1.976 1.379 1.00 0.00 C ATOM 1226 CD2 LEU A 76 -0.271 3.311 1.195 1.00 0.00 C ATOM 0 H LEU A 76 3.231 5.902 1.749 1.00 0.00 H new ATOM 0 HA LEU A 76 0.341 5.821 2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.670 3.974 2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.059 3.694 3.468 1.00 0.00 H new ATOM 0 HG LEU A 76 1.656 3.913 0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.564 1.452 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.923 2.044 1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.452 1.428 2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.515 2.768 0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.709 2.797 2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.674 4.322 1.134 1.00 0.00 H new ATOM 1238 N GLU A 77 0.287 6.160 4.743 1.00 0.00 N ATOM 1239 CA GLU A 77 0.225 6.658 6.113 1.00 0.00 C ATOM 1240 C GLU A 77 -0.333 5.593 7.053 1.00 0.00 C ATOM 1241 O GLU A 77 -0.993 4.650 6.618 1.00 0.00 O ATOM 1242 CB GLU A 77 -0.640 7.918 6.182 1.00 0.00 C ATOM 1243 CG GLU A 77 -2.084 7.689 5.769 1.00 0.00 C ATOM 1244 CD GLU A 77 -3.012 8.783 6.262 1.00 0.00 C ATOM 1245 OE1 GLU A 77 -2.569 9.949 6.331 1.00 0.00 O ATOM 1246 OE2 GLU A 77 -4.180 8.474 6.577 1.00 0.00 O ATOM 0 H GLU A 77 -0.596 5.795 4.386 1.00 0.00 H new ATOM 0 HA GLU A 77 1.238 6.904 6.430 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.620 8.307 7.200 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -0.204 8.683 5.540 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.142 7.631 4.682 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.421 6.728 6.158 1.00 0.00 H new ATOM 1253 N ASP A 78 -0.061 5.751 8.344 1.00 0.00 N ATOM 1254 CA ASP A 78 -0.535 4.805 9.347 1.00 0.00 C ATOM 1255 C ASP A 78 -2.059 4.758 9.373 1.00 0.00 C ATOM 1256 O ASP A 78 -2.724 5.778 9.190 1.00 0.00 O ATOM 1257 CB ASP A 78 0.000 5.184 10.729 1.00 0.00 C ATOM 1258 CG ASP A 78 -0.858 6.228 11.415 1.00 0.00 C ATOM 1259 OD1 ASP A 78 -0.928 7.366 10.906 1.00 0.00 O ATOM 1260 OD2 ASP A 78 -1.460 5.909 12.462 1.00 0.00 O ATOM 0 H ASP A 78 0.486 6.526 8.720 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.164 3.815 9.081 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.050 4.292 11.353 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.018 5.562 10.630 1.00 0.00 H new ATOM 1265 N GLU A 79 -2.606 3.568 9.599 1.00 0.00 N ATOM 1266 CA GLU A 79 -4.053 3.389 9.647 1.00 0.00 C ATOM 1267 C GLU A 79 -4.693 3.778 8.317 1.00 0.00 C ATOM 1268 O GLU A 79 -5.622 4.584 8.275 1.00 0.00 O ATOM 1269 CB GLU A 79 -4.655 4.225 10.778 1.00 0.00 C ATOM 1270 CG GLU A 79 -4.205 3.790 12.162 1.00 0.00 C ATOM 1271 CD GLU A 79 -5.103 2.724 12.760 1.00 0.00 C ATOM 1272 OE1 GLU A 79 -5.124 1.596 12.224 1.00 0.00 O ATOM 1273 OE2 GLU A 79 -5.784 3.018 13.765 1.00 0.00 O ATOM 0 H GLU A 79 -2.070 2.714 9.752 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.257 2.335 9.835 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.385 5.270 10.629 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.742 4.166 10.723 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.185 3.410 12.105 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.186 4.657 12.823 1.00 0.00 H new ATOM 1280 N ASP A 80 -4.188 3.199 7.233 1.00 0.00 N ATOM 1281 CA ASP A 80 -4.709 3.483 5.901 1.00 0.00 C ATOM 1282 C ASP A 80 -4.968 2.191 5.132 1.00 0.00 C ATOM 1283 O ASP A 80 -4.176 1.251 5.193 1.00 0.00 O ATOM 1284 CB ASP A 80 -3.731 4.366 5.125 1.00 0.00 C ATOM 1285 CG ASP A 80 -3.978 4.328 3.629 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -5.134 4.081 3.225 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -3.016 4.544 2.863 1.00 0.00 O ATOM 0 H ASP A 80 -3.418 2.530 7.251 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.655 4.014 6.013 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.815 5.394 5.478 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.711 4.041 5.330 1.00 0.00 H new ATOM 1292 N VAL A 81 -6.083 2.152 4.409 1.00 0.00 N ATOM 1293 CA VAL A 81 -6.446 0.976 3.627 1.00 0.00 C ATOM 1294 C VAL A 81 -6.095 1.164 2.156 1.00 0.00 C ATOM 1295 O VAL A 81 -6.355 2.218 1.575 1.00 0.00 O ATOM 1296 CB VAL A 81 -7.950 0.665 3.749 1.00 0.00 C ATOM 1297 CG1 VAL A 81 -8.319 -0.532 2.885 1.00 0.00 C ATOM 1298 CG2 VAL A 81 -8.327 0.419 5.202 1.00 0.00 C ATOM 0 H VAL A 81 -6.750 2.921 4.349 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.875 0.139 4.029 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.512 1.528 3.393 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.385 -0.737 2.984 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.086 -0.314 1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.750 -1.404 3.209 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.393 0.201 5.269 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.758 -0.427 5.587 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.100 1.307 5.792 1.00 0.00 H new ATOM 1308 N ILE A 82 -5.504 0.135 1.559 1.00 0.00 N ATOM 1309 CA ILE A 82 -5.118 0.186 0.154 1.00 0.00 C ATOM 1310 C ILE A 82 -5.584 -1.061 -0.590 1.00 0.00 C ATOM 1311 O ILE A 82 -5.349 -2.184 -0.146 1.00 0.00 O ATOM 1312 CB ILE A 82 -3.592 0.325 -0.006 1.00 0.00 C ATOM 1313 CG1 ILE A 82 -3.218 0.395 -1.488 1.00 0.00 C ATOM 1314 CG2 ILE A 82 -2.881 -0.837 0.671 1.00 0.00 C ATOM 1315 CD1 ILE A 82 -1.746 0.650 -1.728 1.00 0.00 C ATOM 0 H ILE A 82 -5.282 -0.744 2.026 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.602 1.064 -0.274 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.273 1.250 0.474 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.500 -0.541 -1.970 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.798 1.186 -1.964 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.804 -0.725 0.549 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.127 -0.846 1.733 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.202 -1.774 0.217 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.553 0.687 -2.800 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.463 1.600 -1.275 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.160 -0.153 -1.282 1.00 0.00 H new ATOM 1327 N GLN A 83 -6.245 -0.854 -1.725 1.00 0.00 N ATOM 1328 CA GLN A 83 -6.743 -1.962 -2.531 1.00 0.00 C ATOM 1329 C GLN A 83 -5.855 -2.191 -3.749 1.00 0.00 C ATOM 1330 O GLN A 83 -5.948 -1.468 -4.742 1.00 0.00 O ATOM 1331 CB GLN A 83 -8.181 -1.689 -2.977 1.00 0.00 C ATOM 1332 CG GLN A 83 -8.757 -2.776 -3.870 1.00 0.00 C ATOM 1333 CD GLN A 83 -10.271 -2.830 -3.821 1.00 0.00 C ATOM 1334 OE1 GLN A 83 -10.917 -1.954 -3.245 1.00 0.00 O ATOM 1335 NE2 GLN A 83 -10.847 -3.862 -4.426 1.00 0.00 N ATOM 0 H GLN A 83 -6.448 0.070 -2.106 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.725 -2.862 -1.917 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.812 -1.583 -2.095 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.213 -0.738 -3.509 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -8.436 -2.604 -4.898 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -8.353 -3.742 -3.567 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -10.273 -4.565 -4.892 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.863 -3.951 -4.425 1.00 0.00 H new ATOM 1344 N ILE A 84 -4.995 -3.201 -3.666 1.00 0.00 N ATOM 1345 CA ILE A 84 -4.091 -3.525 -4.763 1.00 0.00 C ATOM 1346 C ILE A 84 -4.841 -4.176 -5.920 1.00 0.00 C ATOM 1347 O ILE A 84 -5.397 -5.265 -5.779 1.00 0.00 O ATOM 1348 CB ILE A 84 -2.963 -4.468 -4.302 1.00 0.00 C ATOM 1349 CG1 ILE A 84 -2.105 -3.788 -3.234 1.00 0.00 C ATOM 1350 CG2 ILE A 84 -2.109 -4.890 -5.488 1.00 0.00 C ATOM 1351 CD1 ILE A 84 -1.736 -2.361 -3.574 1.00 0.00 C ATOM 0 H ILE A 84 -4.905 -3.808 -2.851 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.654 -2.585 -5.100 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.410 -5.361 -3.866 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.643 -3.800 -2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.192 -4.366 -3.090 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.316 -5.556 -5.147 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.731 -5.409 -6.217 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.667 -4.007 -5.951 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.128 -1.942 -2.773 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.171 -2.344 -4.506 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.643 -1.768 -3.689 1.00 0.00 H new ATOM 1363 N VAL A 85 -4.852 -3.501 -7.065 1.00 0.00 N ATOM 1364 CA VAL A 85 -5.531 -4.014 -8.249 1.00 0.00 C ATOM 1365 C VAL A 85 -4.530 -4.528 -9.277 1.00 0.00 C ATOM 1366 O VAL A 85 -3.439 -3.978 -9.428 1.00 0.00 O ATOM 1367 CB VAL A 85 -6.413 -2.934 -8.902 1.00 0.00 C ATOM 1368 CG1 VAL A 85 -7.316 -2.283 -7.866 1.00 0.00 C ATOM 1369 CG2 VAL A 85 -5.550 -1.893 -9.600 1.00 0.00 C ATOM 0 H VAL A 85 -4.398 -2.597 -7.198 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.164 -4.838 -7.919 1.00 0.00 H new ATOM 0 HB VAL A 85 -7.046 -3.410 -9.651 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.932 -1.523 -8.346 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.959 -3.040 -7.417 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.705 -1.819 -7.091 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.189 -1.137 -10.056 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.891 -1.420 -8.872 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.951 -2.376 -10.372 1.00 0.00 H new ATOM 1379 N LYS A 86 -4.908 -5.588 -9.985 1.00 0.00 N ATOM 1380 CA LYS A 86 -4.045 -6.177 -11.002 1.00 0.00 C ATOM 1381 C LYS A 86 -4.620 -5.956 -12.397 1.00 0.00 C ATOM 1382 O LYS A 86 -5.791 -6.237 -12.650 1.00 0.00 O ATOM 1383 CB LYS A 86 -3.867 -7.675 -10.744 1.00 0.00 C ATOM 1384 CG LYS A 86 -3.285 -7.992 -9.377 1.00 0.00 C ATOM 1385 CD LYS A 86 -2.992 -9.475 -9.226 1.00 0.00 C ATOM 1386 CE LYS A 86 -2.284 -9.773 -7.914 1.00 0.00 C ATOM 1387 NZ LYS A 86 -2.572 -11.150 -7.427 1.00 0.00 N ATOM 0 H LYS A 86 -5.807 -6.057 -9.873 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.073 -5.687 -10.946 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.834 -8.169 -10.842 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.216 -8.093 -11.512 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.367 -7.422 -9.230 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.983 -7.677 -8.601 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.924 -10.038 -9.273 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.374 -9.811 -10.059 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.209 -9.652 -8.046 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.596 -9.049 -7.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.071 -11.313 -6.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.595 -11.258 -7.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.252 -11.842 -8.134 1.00 0.00 H new ATOM 1401 N LYS A 87 -3.787 -5.451 -13.301 1.00 0.00 N ATOM 1402 CA LYS A 87 -4.210 -5.194 -14.673 1.00 0.00 C ATOM 1403 C LYS A 87 -5.074 -6.335 -15.199 1.00 0.00 C ATOM 1404 O LYS A 87 -4.928 -7.482 -14.776 1.00 0.00 O ATOM 1405 CB LYS A 87 -2.991 -5.004 -15.578 1.00 0.00 C ATOM 1406 CG LYS A 87 -2.129 -3.814 -15.195 1.00 0.00 C ATOM 1407 CD LYS A 87 -0.764 -3.876 -15.862 1.00 0.00 C ATOM 1408 CE LYS A 87 0.193 -2.854 -15.269 1.00 0.00 C ATOM 1409 NZ LYS A 87 0.807 -3.338 -14.002 1.00 0.00 N ATOM 0 H LYS A 87 -2.814 -5.211 -13.108 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.804 -4.280 -14.678 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.382 -5.908 -15.548 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.329 -4.881 -16.607 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.633 -2.891 -15.481 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.005 -3.787 -14.112 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.347 -4.876 -15.747 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.872 -3.697 -16.932 1.00 0.00 H new ATOM 0 HE2 LYS A 87 0.979 -2.631 -15.991 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -0.341 -1.923 -15.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.345 -2.566 -13.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.059 -3.655 -13.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.447 -4.132 -14.207 1.00 0.00 H new ATOM 1423 N SER A 88 -5.974 -6.014 -16.123 1.00 0.00 N ATOM 1424 CA SER A 88 -6.863 -7.013 -16.705 1.00 0.00 C ATOM 1425 C SER A 88 -6.691 -7.077 -18.219 1.00 0.00 C ATOM 1426 O SER A 88 -7.123 -6.181 -18.943 1.00 0.00 O ATOM 1427 CB SER A 88 -8.319 -6.694 -16.358 1.00 0.00 C ATOM 1428 OG SER A 88 -9.187 -7.717 -16.815 1.00 0.00 O ATOM 0 H SER A 88 -6.107 -5.070 -16.485 1.00 0.00 H new ATOM 0 HA SER A 88 -6.602 -7.985 -16.286 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.423 -6.580 -15.279 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.604 -5.743 -16.808 1.00 0.00 H new ATOM 0 HG SER A 88 -10.111 -7.491 -16.580 1.00 0.00 H new ATOM 1434 N GLY A 89 -6.055 -8.145 -18.692 1.00 0.00 N ATOM 1435 CA GLY A 89 -5.836 -8.308 -20.117 1.00 0.00 C ATOM 1436 C GLY A 89 -5.279 -9.674 -20.466 1.00 0.00 C ATOM 1437 O GLY A 89 -4.911 -10.459 -19.592 1.00 0.00 O ATOM 0 H GLY A 89 -5.688 -8.900 -18.113 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.777 -8.157 -20.646 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.147 -7.538 -20.466 1.00 0.00 H new ATOM 1441 N PRO A 90 -5.213 -9.974 -21.771 1.00 0.00 N ATOM 1442 CA PRO A 90 -4.699 -11.256 -22.263 1.00 0.00 C ATOM 1443 C PRO A 90 -3.195 -11.396 -22.054 1.00 0.00 C ATOM 1444 O PRO A 90 -2.405 -10.668 -22.655 1.00 0.00 O ATOM 1445 CB PRO A 90 -5.030 -11.221 -23.757 1.00 0.00 C ATOM 1446 CG PRO A 90 -5.102 -9.772 -24.095 1.00 0.00 C ATOM 1447 CD PRO A 90 -5.634 -9.086 -22.867 1.00 0.00 C ATOM 0 HA PRO A 90 -5.139 -12.101 -21.734 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.264 -11.727 -24.344 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -5.975 -11.724 -23.965 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.119 -9.385 -24.363 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.756 -9.603 -24.951 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.219 -8.084 -22.755 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.718 -8.980 -22.904 1.00 0.00 H new ATOM 1455 N SER A 91 -2.806 -12.337 -21.200 1.00 0.00 N ATOM 1456 CA SER A 91 -1.396 -12.570 -20.909 1.00 0.00 C ATOM 1457 C SER A 91 -0.875 -13.779 -21.680 1.00 0.00 C ATOM 1458 O SER A 91 -1.440 -14.870 -21.600 1.00 0.00 O ATOM 1459 CB SER A 91 -1.191 -12.781 -19.408 1.00 0.00 C ATOM 1460 OG SER A 91 -1.842 -13.959 -18.965 1.00 0.00 O ATOM 0 H SER A 91 -3.447 -12.951 -20.697 1.00 0.00 H new ATOM 0 HA SER A 91 -0.835 -11.690 -21.225 1.00 0.00 H new ATOM 0 HB2 SER A 91 -0.125 -12.846 -19.189 1.00 0.00 H new ATOM 0 HB3 SER A 91 -1.577 -11.921 -18.861 1.00 0.00 H new ATOM 0 HG SER A 91 -1.773 -14.650 -19.656 1.00 0.00 H new ATOM 1466 N SER A 92 0.206 -13.577 -22.426 1.00 0.00 N ATOM 1467 CA SER A 92 0.802 -14.649 -23.215 1.00 0.00 C ATOM 1468 C SER A 92 1.786 -15.458 -22.376 1.00 0.00 C ATOM 1469 O SER A 92 2.729 -14.911 -21.805 1.00 0.00 O ATOM 1470 CB SER A 92 1.512 -14.073 -24.442 1.00 0.00 C ATOM 1471 OG SER A 92 0.589 -13.463 -25.326 1.00 0.00 O ATOM 0 H SER A 92 0.687 -12.681 -22.501 1.00 0.00 H new ATOM 0 HA SER A 92 0.003 -15.312 -23.545 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.255 -13.341 -24.126 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.048 -14.867 -24.962 1.00 0.00 H new ATOM 0 HG SER A 92 1.068 -13.101 -26.101 1.00 0.00 H new ATOM 1477 N GLY A 93 1.559 -16.766 -22.306 1.00 0.00 N ATOM 1478 CA GLY A 93 2.433 -17.631 -21.536 1.00 0.00 C ATOM 1479 C GLY A 93 2.882 -16.992 -20.236 1.00 0.00 C ATOM 1480 O GLY A 93 2.225 -16.087 -19.723 1.00 0.00 O ATOM 0 H GLY A 93 0.785 -17.242 -22.769 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.915 -18.565 -21.318 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.308 -17.884 -22.134 1.00 0.00 H new TER 1484 GLY A 93