USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 809 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 25 THR OG1 : rot -52:sc= 0.285 USER MOD Set 1.2: A 68 THR OG1 : rot 180:sc= 0.277 USER MOD Set 2.1: A 15 THR OG1 : rot 12:sc= 0.201 USER MOD Set 2.2: A 96 TYR OH : rot 30:sc= -0.332 USER MOD Set 3.1: A 8 THR OG1 : rot -175:sc= 1.4 USER MOD Set 3.2: A 86 ASN : amide:sc= -5.76! C(o=-4.4!,f=-5.1!) USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0446 (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 USER MOD Single : A 6 SER OG : rot 16:sc= 0.364 USER MOD Single : A 9 SER OG : rot 180:sc= -0.948 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc=-0.00461 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0321 USER MOD Single : A 23 THR OG1 : rot -160:sc= -0.172 USER MOD Single : A 26 MET CE :methyl -132:sc= -1.1 (180deg=-2.63) USER MOD Single : A 33 HIS : no HD1:sc=-0.00815 X(o=-0.0081,f=-0.0081) USER MOD Single : A 42 TYR OH : rot 165:sc= -0.736 USER MOD Single : A 46 TYR OH : rot 180:sc= -0.301 USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -51:sc= 1.21 USER MOD Single : A 58 ASN : amide:sc= -0.915! C(o=-0.92!,f=-4.9!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0153 USER MOD Single : A 66 LYS NZ :NH3+ 152:sc= -0.712 (180deg=-1.52!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 146:sc= -0.872 (180deg=-2.96!) USER MOD Single : A 91 SER OG : rot 100:sc= -0.477 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.875 X(o=-0.87,f=-0.65) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.841 -16.182 -9.637 1.00 0.00 N ATOM 2 CA GLY A 1 -24.519 -16.177 -9.039 1.00 0.00 C ATOM 3 C GLY A 1 -24.431 -15.261 -7.835 1.00 0.00 C ATOM 4 O GLY A 1 -25.216 -14.323 -7.701 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.278 -17.117 -9.506 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.431 -15.457 -9.181 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.763 -15.975 -10.653 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.255 -17.191 -8.740 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.788 -15.864 -9.784 1.00 0.00 H new ATOM 8 N SER A 2 -23.473 -15.534 -6.954 1.00 0.00 N ATOM 9 CA SER A 2 -23.288 -14.730 -5.752 1.00 0.00 C ATOM 10 C SER A 2 -23.543 -13.254 -6.041 1.00 0.00 C ATOM 11 O SER A 2 -22.920 -12.667 -6.926 1.00 0.00 O ATOM 12 CB SER A 2 -21.874 -14.917 -5.200 1.00 0.00 C ATOM 13 OG SER A 2 -21.691 -14.178 -4.004 1.00 0.00 O ATOM 0 H SER A 2 -22.813 -16.306 -7.051 1.00 0.00 H new ATOM 0 HA SER A 2 -24.008 -15.066 -5.006 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.692 -15.975 -5.009 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.145 -14.597 -5.944 1.00 0.00 H new ATOM 0 HG SER A 2 -20.780 -14.316 -3.670 1.00 0.00 H new ATOM 19 N SER A 3 -24.463 -12.660 -5.288 1.00 0.00 N ATOM 20 CA SER A 3 -24.804 -11.253 -5.464 1.00 0.00 C ATOM 21 C SER A 3 -24.611 -10.480 -4.164 1.00 0.00 C ATOM 22 O SER A 3 -25.189 -10.822 -3.133 1.00 0.00 O ATOM 23 CB SER A 3 -26.250 -11.113 -5.944 1.00 0.00 C ATOM 24 OG SER A 3 -26.515 -9.793 -6.386 1.00 0.00 O ATOM 0 H SER A 3 -24.986 -13.131 -4.550 1.00 0.00 H new ATOM 0 HA SER A 3 -24.136 -10.835 -6.217 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.437 -11.816 -6.756 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.932 -11.373 -5.134 1.00 0.00 H new ATOM 0 HG SER A 3 -27.445 -9.730 -6.689 1.00 0.00 H new ATOM 30 N GLY A 4 -23.792 -9.433 -4.220 1.00 0.00 N ATOM 31 CA GLY A 4 -23.536 -8.627 -3.041 1.00 0.00 C ATOM 32 C GLY A 4 -22.059 -8.356 -2.834 1.00 0.00 C ATOM 33 O GLY A 4 -21.305 -9.250 -2.450 1.00 0.00 O ATOM 0 H GLY A 4 -23.302 -9.129 -5.061 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.067 -7.679 -3.130 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.936 -9.135 -2.163 1.00 0.00 H new ATOM 37 N SER A 5 -21.644 -7.120 -3.089 1.00 0.00 N ATOM 38 CA SER A 5 -20.246 -6.735 -2.933 1.00 0.00 C ATOM 39 C SER A 5 -20.089 -5.692 -1.831 1.00 0.00 C ATOM 40 O SER A 5 -21.073 -5.231 -1.252 1.00 0.00 O ATOM 41 CB SER A 5 -19.696 -6.187 -4.252 1.00 0.00 C ATOM 42 OG SER A 5 -19.211 -7.233 -5.076 1.00 0.00 O ATOM 0 H SER A 5 -22.256 -6.367 -3.405 1.00 0.00 H new ATOM 0 HA SER A 5 -19.680 -7.623 -2.652 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.479 -5.640 -4.777 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.893 -5.478 -4.048 1.00 0.00 H new ATOM 0 HG SER A 5 -18.867 -6.857 -5.913 1.00 0.00 H new ATOM 48 N SER A 6 -18.844 -5.324 -1.546 1.00 0.00 N ATOM 49 CA SER A 6 -18.557 -4.338 -0.511 1.00 0.00 C ATOM 50 C SER A 6 -19.173 -2.987 -0.861 1.00 0.00 C ATOM 51 O SER A 6 -18.800 -2.359 -1.851 1.00 0.00 O ATOM 52 CB SER A 6 -17.045 -4.188 -0.325 1.00 0.00 C ATOM 53 OG SER A 6 -16.445 -3.613 -1.472 1.00 0.00 O ATOM 0 H SER A 6 -18.018 -5.694 -2.017 1.00 0.00 H new ATOM 0 HA SER A 6 -18.999 -4.689 0.422 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.843 -3.565 0.546 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.601 -5.164 -0.129 1.00 0.00 H new ATOM 0 HG SER A 6 -17.136 -3.197 -2.029 1.00 0.00 H new ATOM 59 N GLY A 7 -20.121 -2.546 -0.039 1.00 0.00 N ATOM 60 CA GLY A 7 -20.776 -1.273 -0.278 1.00 0.00 C ATOM 61 C GLY A 7 -19.973 -0.100 0.249 1.00 0.00 C ATOM 62 O GLY A 7 -20.449 1.036 0.258 1.00 0.00 O ATOM 0 H GLY A 7 -20.447 -3.047 0.787 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.938 -1.147 -1.348 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.758 -1.279 0.195 1.00 0.00 H new ATOM 66 N THR A 8 -18.750 -0.374 0.693 1.00 0.00 N ATOM 67 CA THR A 8 -17.879 0.666 1.226 1.00 0.00 C ATOM 68 C THR A 8 -17.011 1.273 0.130 1.00 0.00 C ATOM 69 O THR A 8 -16.993 0.787 -1.001 1.00 0.00 O ATOM 70 CB THR A 8 -16.969 0.119 2.342 1.00 0.00 C ATOM 71 OG1 THR A 8 -17.688 -0.827 3.141 1.00 0.00 O ATOM 72 CG2 THR A 8 -16.455 1.248 3.224 1.00 0.00 C ATOM 0 H THR A 8 -18.340 -1.308 0.694 1.00 0.00 H new ATOM 0 HA THR A 8 -18.527 1.438 1.641 1.00 0.00 H new ATOM 0 HB THR A 8 -16.116 -0.374 1.876 1.00 0.00 H new ATOM 0 HG1 THR A 8 -17.128 -1.114 3.892 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.815 0.837 4.005 1.00 0.00 H new ATOM 0 HG22 THR A 8 -15.883 1.951 2.619 1.00 0.00 H new ATOM 0 HG23 THR A 8 -17.298 1.765 3.681 1.00 0.00 H new ATOM 80 N SER A 9 -16.293 2.337 0.472 1.00 0.00 N ATOM 81 CA SER A 9 -15.424 3.013 -0.485 1.00 0.00 C ATOM 82 C SER A 9 -13.972 2.583 -0.299 1.00 0.00 C ATOM 83 O SER A 9 -13.504 2.353 0.817 1.00 0.00 O ATOM 84 CB SER A 9 -15.542 4.530 -0.331 1.00 0.00 C ATOM 85 OG SER A 9 -15.314 5.188 -1.565 1.00 0.00 O ATOM 0 H SER A 9 -16.295 2.750 1.405 1.00 0.00 H new ATOM 0 HA SER A 9 -15.742 2.731 -1.489 1.00 0.00 H new ATOM 0 HB2 SER A 9 -16.534 4.785 0.042 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.823 4.880 0.410 1.00 0.00 H new ATOM 0 HG SER A 9 -15.397 6.156 -1.440 1.00 0.00 H new ATOM 91 N PRO A 10 -13.241 2.470 -1.418 1.00 0.00 N ATOM 92 CA PRO A 10 -11.832 2.067 -1.405 1.00 0.00 C ATOM 93 C PRO A 10 -10.928 3.139 -0.806 1.00 0.00 C ATOM 94 O PRO A 10 -11.333 4.283 -0.600 1.00 0.00 O ATOM 95 CB PRO A 10 -11.508 1.862 -2.887 1.00 0.00 C ATOM 96 CG PRO A 10 -12.480 2.730 -3.610 1.00 0.00 C ATOM 97 CD PRO A 10 -13.734 2.727 -2.781 1.00 0.00 C ATOM 0 HA PRO A 10 -11.667 1.181 -0.792 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.480 2.147 -3.111 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.619 0.817 -3.176 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.090 3.741 -3.724 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.674 2.348 -4.612 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.260 3.679 -2.845 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.430 1.955 -3.109 1.00 0.00 H new ATOM 105 N PRO A 11 -9.673 2.763 -0.518 1.00 0.00 N ATOM 106 CA PRO A 11 -8.685 3.679 0.061 1.00 0.00 C ATOM 107 C PRO A 11 -8.242 4.753 -0.926 1.00 0.00 C ATOM 108 O PRO A 11 -7.714 4.448 -1.997 1.00 0.00 O ATOM 109 CB PRO A 11 -7.513 2.759 0.413 1.00 0.00 C ATOM 110 CG PRO A 11 -7.645 1.603 -0.518 1.00 0.00 C ATOM 111 CD PRO A 11 -9.121 1.415 -0.737 1.00 0.00 C ATOM 0 HA PRO A 11 -9.087 4.226 0.914 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.558 3.267 0.280 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.561 2.437 1.453 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.133 1.800 -1.460 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.196 0.706 -0.092 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.335 1.052 -1.742 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.542 0.690 -0.040 1.00 0.00 H new ATOM 119 N THR A 12 -8.459 6.012 -0.560 1.00 0.00 N ATOM 120 CA THR A 12 -8.082 7.132 -1.414 1.00 0.00 C ATOM 121 C THR A 12 -6.876 7.873 -0.849 1.00 0.00 C ATOM 122 O THR A 12 -6.315 7.478 0.174 1.00 0.00 O ATOM 123 CB THR A 12 -9.247 8.125 -1.584 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.564 8.729 -0.325 1.00 0.00 O ATOM 125 CG2 THR A 12 -10.478 7.426 -2.140 1.00 0.00 C ATOM 0 H THR A 12 -8.894 6.282 0.322 1.00 0.00 H new ATOM 0 HA THR A 12 -7.825 6.715 -2.387 1.00 0.00 H new ATOM 0 HB THR A 12 -8.937 8.896 -2.289 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.304 9.360 -0.442 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.287 8.148 -2.251 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.242 6.992 -3.112 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.788 6.636 -1.456 1.00 0.00 H new ATOM 133 N LEU A 13 -6.481 8.949 -1.520 1.00 0.00 N ATOM 134 CA LEU A 13 -5.340 9.747 -1.083 1.00 0.00 C ATOM 135 C LEU A 13 -4.123 8.864 -0.831 1.00 0.00 C ATOM 136 O LEU A 13 -3.486 8.950 0.220 1.00 0.00 O ATOM 137 CB LEU A 13 -5.692 10.524 0.186 1.00 0.00 C ATOM 138 CG LEU A 13 -6.659 11.696 0.010 1.00 0.00 C ATOM 139 CD1 LEU A 13 -7.324 12.043 1.333 1.00 0.00 C ATOM 140 CD2 LEU A 13 -5.933 12.906 -0.559 1.00 0.00 C ATOM 0 H LEU A 13 -6.933 9.289 -2.368 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.096 10.452 -1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.123 9.828 0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.769 10.904 0.623 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.435 11.399 -0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.008 12.879 1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.879 11.179 1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.562 12.320 2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.637 13.730 -0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.135 13.205 0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.506 12.651 -1.529 1.00 0.00 H new ATOM 152 N LEU A 14 -3.802 8.015 -1.802 1.00 0.00 N ATOM 153 CA LEU A 14 -2.659 7.117 -1.687 1.00 0.00 C ATOM 154 C LEU A 14 -1.376 7.808 -2.137 1.00 0.00 C ATOM 155 O LEU A 14 -1.216 8.142 -3.311 1.00 0.00 O ATOM 156 CB LEU A 14 -2.891 5.855 -2.519 1.00 0.00 C ATOM 157 CG LEU A 14 -1.878 4.726 -2.324 1.00 0.00 C ATOM 158 CD1 LEU A 14 -0.677 4.922 -3.236 1.00 0.00 C ATOM 159 CD2 LEU A 14 -1.438 4.650 -0.869 1.00 0.00 C ATOM 0 H LEU A 14 -4.318 7.930 -2.678 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.551 6.839 -0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.884 5.469 -2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.895 6.134 -3.573 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.358 3.784 -2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.033 4.109 -3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.006 4.926 -4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.196 5.872 -3.005 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.717 3.841 -0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.976 5.594 -0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.305 4.461 -0.236 1.00 0.00 H new ATOM 171 N THR A 15 -0.461 8.018 -1.195 1.00 0.00 N ATOM 172 CA THR A 15 0.808 8.668 -1.494 1.00 0.00 C ATOM 173 C THR A 15 1.926 8.124 -0.612 1.00 0.00 C ATOM 174 O THR A 15 1.673 7.579 0.462 1.00 0.00 O ATOM 175 CB THR A 15 0.717 10.194 -1.304 1.00 0.00 C ATOM 176 OG1 THR A 15 0.023 10.785 -2.409 1.00 0.00 O ATOM 177 CG2 THR A 15 2.103 10.809 -1.183 1.00 0.00 C ATOM 0 H THR A 15 -0.576 7.747 -0.218 1.00 0.00 H new ATOM 0 HA THR A 15 1.034 8.452 -2.538 1.00 0.00 H new ATOM 0 HB THR A 15 0.168 10.390 -0.383 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.401 10.081 -2.943 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.012 11.887 -1.050 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.618 10.379 -0.324 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.673 10.602 -2.089 1.00 0.00 H new ATOM 185 N VAL A 16 3.164 8.277 -1.072 1.00 0.00 N ATOM 186 CA VAL A 16 4.321 7.802 -0.323 1.00 0.00 C ATOM 187 C VAL A 16 4.718 8.795 0.764 1.00 0.00 C ATOM 188 O VAL A 16 4.911 9.981 0.496 1.00 0.00 O ATOM 189 CB VAL A 16 5.529 7.562 -1.248 1.00 0.00 C ATOM 190 CG1 VAL A 16 6.588 6.732 -0.540 1.00 0.00 C ATOM 191 CG2 VAL A 16 5.085 6.887 -2.538 1.00 0.00 C ATOM 0 H VAL A 16 3.391 8.726 -1.959 1.00 0.00 H new ATOM 0 HA VAL A 16 4.032 6.858 0.139 1.00 0.00 H new ATOM 0 HB VAL A 16 5.968 8.527 -1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.433 6.573 -1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.926 7.258 0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.165 5.769 -0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.951 6.725 -3.180 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.620 5.929 -2.306 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.366 7.524 -3.053 1.00 0.00 H new ATOM 201 N ASP A 17 4.837 8.303 1.992 1.00 0.00 N ATOM 202 CA ASP A 17 5.212 9.146 3.121 1.00 0.00 C ATOM 203 C ASP A 17 6.724 9.342 3.174 1.00 0.00 C ATOM 204 O ASP A 17 7.214 10.472 3.166 1.00 0.00 O ATOM 205 CB ASP A 17 4.719 8.530 4.432 1.00 0.00 C ATOM 206 CG ASP A 17 4.784 9.506 5.590 1.00 0.00 C ATOM 207 OD1 ASP A 17 5.653 10.402 5.563 1.00 0.00 O ATOM 208 OD2 ASP A 17 3.965 9.373 6.524 1.00 0.00 O ATOM 0 H ASP A 17 4.679 7.324 2.231 1.00 0.00 H new ATOM 0 HA ASP A 17 4.741 10.120 2.987 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.692 8.188 4.306 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.321 7.652 4.666 1.00 0.00 H new ATOM 213 N SER A 18 7.458 8.236 3.230 1.00 0.00 N ATOM 214 CA SER A 18 8.914 8.286 3.289 1.00 0.00 C ATOM 215 C SER A 18 9.529 7.100 2.553 1.00 0.00 C ATOM 216 O SER A 18 8.887 6.065 2.373 1.00 0.00 O ATOM 217 CB SER A 18 9.386 8.298 4.744 1.00 0.00 C ATOM 218 OG SER A 18 10.742 8.697 4.837 1.00 0.00 O ATOM 0 H SER A 18 7.068 7.293 3.236 1.00 0.00 H new ATOM 0 HA SER A 18 9.241 9.204 2.800 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.763 8.977 5.326 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.265 7.305 5.177 1.00 0.00 H new ATOM 0 HG SER A 18 11.019 8.698 5.777 1.00 0.00 H new ATOM 224 N VAL A 19 10.778 7.258 2.128 1.00 0.00 N ATOM 225 CA VAL A 19 11.482 6.201 1.412 1.00 0.00 C ATOM 226 C VAL A 19 12.886 5.998 1.972 1.00 0.00 C ATOM 227 O VAL A 19 13.582 6.960 2.299 1.00 0.00 O ATOM 228 CB VAL A 19 11.583 6.514 -0.093 1.00 0.00 C ATOM 229 CG1 VAL A 19 12.384 5.437 -0.810 1.00 0.00 C ATOM 230 CG2 VAL A 19 10.195 6.651 -0.702 1.00 0.00 C ATOM 0 H VAL A 19 11.324 8.108 2.267 1.00 0.00 H new ATOM 0 HA VAL A 19 10.904 5.287 1.548 1.00 0.00 H new ATOM 0 HB VAL A 19 12.105 7.463 -0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.445 5.675 -1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.389 5.391 -0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 19 11.893 4.472 -0.682 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.285 6.872 -1.766 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.646 5.719 -0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.659 7.461 -0.207 1.00 0.00 H new ATOM 240 N THR A 20 13.297 4.739 2.081 1.00 0.00 N ATOM 241 CA THR A 20 14.617 4.408 2.603 1.00 0.00 C ATOM 242 C THR A 20 15.217 3.217 1.865 1.00 0.00 C ATOM 243 O THR A 20 14.559 2.192 1.682 1.00 0.00 O ATOM 244 CB THR A 20 14.563 4.090 4.109 1.00 0.00 C ATOM 245 OG1 THR A 20 13.528 4.857 4.734 1.00 0.00 O ATOM 246 CG2 THR A 20 15.897 4.392 4.774 1.00 0.00 C ATOM 0 H THR A 20 12.734 3.931 1.815 1.00 0.00 H new ATOM 0 HA THR A 20 15.247 5.284 2.447 1.00 0.00 H new ATOM 0 HB THR A 20 14.349 3.028 4.227 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.499 4.648 5.691 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.834 4.160 5.837 1.00 0.00 H new ATOM 0 HG22 THR A 20 16.678 3.785 4.315 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.136 5.448 4.647 1.00 0.00 H new ATOM 254 N ASP A 21 16.469 3.357 1.444 1.00 0.00 N ATOM 255 CA ASP A 21 17.159 2.291 0.727 1.00 0.00 C ATOM 256 C ASP A 21 16.858 0.933 1.353 1.00 0.00 C ATOM 257 O ASP A 21 16.942 -0.101 0.689 1.00 0.00 O ATOM 258 CB ASP A 21 18.668 2.542 0.725 1.00 0.00 C ATOM 259 CG ASP A 21 19.102 3.453 -0.407 1.00 0.00 C ATOM 260 OD1 ASP A 21 18.609 3.267 -1.539 1.00 0.00 O ATOM 261 OD2 ASP A 21 19.935 4.351 -0.161 1.00 0.00 O ATOM 0 H ASP A 21 17.027 4.199 1.587 1.00 0.00 H new ATOM 0 HA ASP A 21 16.798 2.286 -0.302 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.961 2.985 1.677 1.00 0.00 H new ATOM 0 HB3 ASP A 21 19.192 1.590 0.642 1.00 0.00 H new ATOM 266 N THR A 22 16.508 0.941 2.635 1.00 0.00 N ATOM 267 CA THR A 22 16.196 -0.289 3.351 1.00 0.00 C ATOM 268 C THR A 22 14.748 -0.705 3.125 1.00 0.00 C ATOM 269 O THR A 22 14.470 -1.836 2.721 1.00 0.00 O ATOM 270 CB THR A 22 16.445 -0.138 4.864 1.00 0.00 C ATOM 271 OG1 THR A 22 15.968 1.136 5.313 1.00 0.00 O ATOM 272 CG2 THR A 22 17.925 -0.272 5.185 1.00 0.00 C ATOM 0 H THR A 22 16.433 1.787 3.199 1.00 0.00 H new ATOM 0 HA THR A 22 16.858 -1.060 2.957 1.00 0.00 H new ATOM 0 HB THR A 22 15.905 -0.931 5.380 1.00 0.00 H new ATOM 0 HG1 THR A 22 16.128 1.224 6.276 1.00 0.00 H new ATOM 0 HG21 THR A 22 18.076 -0.162 6.259 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.279 -1.253 4.868 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.483 0.503 4.659 1.00 0.00 H new ATOM 280 N THR A 23 13.824 0.215 3.386 1.00 0.00 N ATOM 281 CA THR A 23 12.403 -0.057 3.211 1.00 0.00 C ATOM 282 C THR A 23 11.661 1.186 2.732 1.00 0.00 C ATOM 283 O THR A 23 12.209 2.288 2.735 1.00 0.00 O ATOM 284 CB THR A 23 11.761 -0.552 4.520 1.00 0.00 C ATOM 285 OG1 THR A 23 11.493 0.557 5.385 1.00 0.00 O ATOM 286 CG2 THR A 23 12.670 -1.546 5.227 1.00 0.00 C ATOM 0 H THR A 23 14.035 1.156 3.720 1.00 0.00 H new ATOM 0 HA THR A 23 12.321 -0.839 2.457 1.00 0.00 H new ATOM 0 HB THR A 23 10.825 -1.053 4.273 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.391 0.237 6.306 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.195 -1.881 6.149 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.847 -2.403 4.577 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.620 -1.067 5.462 1.00 0.00 H new ATOM 294 N VAL A 24 10.410 1.000 2.322 1.00 0.00 N ATOM 295 CA VAL A 24 9.591 2.107 1.841 1.00 0.00 C ATOM 296 C VAL A 24 8.341 2.278 2.697 1.00 0.00 C ATOM 297 O VAL A 24 7.766 1.301 3.177 1.00 0.00 O ATOM 298 CB VAL A 24 9.171 1.900 0.374 1.00 0.00 C ATOM 299 CG1 VAL A 24 10.392 1.664 -0.503 1.00 0.00 C ATOM 300 CG2 VAL A 24 8.191 0.742 0.260 1.00 0.00 C ATOM 0 H VAL A 24 9.942 0.094 2.313 1.00 0.00 H new ATOM 0 HA VAL A 24 10.203 3.006 1.912 1.00 0.00 H new ATOM 0 HB VAL A 24 8.672 2.804 0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.076 1.520 -1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.055 2.527 -0.444 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.921 0.776 -0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.904 0.609 -0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.662 -0.170 0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.304 0.956 0.856 1.00 0.00 H new ATOM 310 N THR A 25 7.925 3.526 2.885 1.00 0.00 N ATOM 311 CA THR A 25 6.743 3.826 3.683 1.00 0.00 C ATOM 312 C THR A 25 5.599 4.323 2.807 1.00 0.00 C ATOM 313 O THR A 25 5.807 5.120 1.892 1.00 0.00 O ATOM 314 CB THR A 25 7.046 4.884 4.761 1.00 0.00 C ATOM 315 OG1 THR A 25 7.982 4.361 5.711 1.00 0.00 O ATOM 316 CG2 THR A 25 5.773 5.308 5.477 1.00 0.00 C ATOM 0 H THR A 25 8.390 4.346 2.495 1.00 0.00 H new ATOM 0 HA THR A 25 6.447 2.897 4.170 1.00 0.00 H new ATOM 0 HB THR A 25 7.476 5.757 4.270 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.657 3.501 6.051 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.013 6.055 6.233 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.074 5.732 4.756 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.318 4.440 5.955 1.00 0.00 H new ATOM 324 N MET A 26 4.391 3.849 3.094 1.00 0.00 N ATOM 325 CA MET A 26 3.213 4.248 2.332 1.00 0.00 C ATOM 326 C MET A 26 2.056 4.598 3.262 1.00 0.00 C ATOM 327 O MET A 26 1.720 3.831 4.165 1.00 0.00 O ATOM 328 CB MET A 26 2.794 3.130 1.376 1.00 0.00 C ATOM 329 CG MET A 26 3.861 2.772 0.354 1.00 0.00 C ATOM 330 SD MET A 26 4.230 4.133 -0.770 1.00 0.00 S ATOM 331 CE MET A 26 2.628 4.387 -1.531 1.00 0.00 C ATOM 0 H MET A 26 4.202 3.189 3.848 1.00 0.00 H new ATOM 0 HA MET A 26 3.470 5.134 1.752 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.546 2.241 1.956 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.887 3.432 0.852 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.773 2.478 0.874 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.531 1.908 -0.223 1.00 0.00 H new ATOM 0 HE1 MET A 26 2.745 4.447 -2.613 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.971 3.553 -1.283 1.00 0.00 H new ATOM 0 HE3 MET A 26 2.192 5.315 -1.161 1.00 0.00 H new ATOM 341 N ARG A 27 1.451 5.759 3.037 1.00 0.00 N ATOM 342 CA ARG A 27 0.333 6.210 3.857 1.00 0.00 C ATOM 343 C ARG A 27 -0.931 6.361 3.016 1.00 0.00 C ATOM 344 O ARG A 27 -0.862 6.534 1.799 1.00 0.00 O ATOM 345 CB ARG A 27 0.671 7.541 4.532 1.00 0.00 C ATOM 346 CG ARG A 27 0.809 8.700 3.558 1.00 0.00 C ATOM 347 CD ARG A 27 1.071 10.009 4.285 1.00 0.00 C ATOM 348 NE ARG A 27 0.004 10.336 5.227 1.00 0.00 N ATOM 349 CZ ARG A 27 0.030 11.395 6.028 1.00 0.00 C ATOM 350 NH1 ARG A 27 1.063 12.226 6.002 1.00 0.00 N ATOM 351 NH2 ARG A 27 -0.979 11.625 6.858 1.00 0.00 N ATOM 0 H ARG A 27 1.716 6.405 2.293 1.00 0.00 H new ATOM 0 HA ARG A 27 0.151 5.458 4.624 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.107 7.778 5.258 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.603 7.431 5.087 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.625 8.498 2.864 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.101 8.788 2.964 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.019 9.943 4.820 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.171 10.814 3.557 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.806 9.717 5.272 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.841 12.053 5.365 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.080 13.038 6.619 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.776 10.988 6.881 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.958 12.439 7.473 1.00 0.00 H new ATOM 365 N TRP A 28 -2.084 6.294 3.673 1.00 0.00 N ATOM 366 CA TRP A 28 -3.364 6.423 2.985 1.00 0.00 C ATOM 367 C TRP A 28 -4.454 6.882 3.947 1.00 0.00 C ATOM 368 O TRP A 28 -4.304 6.779 5.165 1.00 0.00 O ATOM 369 CB TRP A 28 -3.758 5.090 2.345 1.00 0.00 C ATOM 370 CG TRP A 28 -4.031 4.009 3.346 1.00 0.00 C ATOM 371 CD1 TRP A 28 -5.155 3.862 4.109 1.00 0.00 C ATOM 372 CD2 TRP A 28 -3.164 2.924 3.693 1.00 0.00 C ATOM 373 NE1 TRP A 28 -5.038 2.752 4.910 1.00 0.00 N ATOM 374 CE2 TRP A 28 -3.827 2.158 4.673 1.00 0.00 C ATOM 375 CE3 TRP A 28 -1.894 2.523 3.271 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -3.259 1.018 5.235 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -1.332 1.391 3.830 1.00 0.00 C ATOM 378 CH2 TRP A 28 -2.014 0.649 4.803 1.00 0.00 C ATOM 0 H TRP A 28 -2.159 6.151 4.680 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.255 7.175 2.203 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.646 5.239 1.730 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.959 4.765 1.678 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.010 4.522 4.086 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.739 2.424 5.574 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.361 3.088 2.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.783 0.445 5.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.350 1.073 3.511 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.548 -0.231 5.220 1.00 0.00 H new ATOM 389 N ARG A 29 -5.551 7.388 3.393 1.00 0.00 N ATOM 390 CA ARG A 29 -6.666 7.863 4.203 1.00 0.00 C ATOM 391 C ARG A 29 -7.862 6.922 4.088 1.00 0.00 C ATOM 392 O ARG A 29 -8.075 6.272 3.065 1.00 0.00 O ATOM 393 CB ARG A 29 -7.072 9.274 3.772 1.00 0.00 C ATOM 394 CG ARG A 29 -6.330 10.374 4.514 1.00 0.00 C ATOM 395 CD ARG A 29 -4.824 10.237 4.355 1.00 0.00 C ATOM 396 NE ARG A 29 -4.143 11.524 4.464 1.00 0.00 N ATOM 397 CZ ARG A 29 -3.956 12.161 5.614 1.00 0.00 C ATOM 398 NH1 ARG A 29 -4.397 11.634 6.748 1.00 0.00 N ATOM 399 NH2 ARG A 29 -3.326 13.329 5.632 1.00 0.00 N ATOM 0 H ARG A 29 -5.691 7.479 2.387 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.342 7.886 5.244 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.893 9.384 2.702 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.143 9.399 3.930 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.649 11.346 4.139 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.590 10.339 5.572 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.439 9.558 5.116 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.601 9.790 3.386 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.792 11.957 3.610 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.882 10.737 6.739 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.252 12.126 7.630 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.985 13.738 4.762 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.183 13.818 6.516 1.00 0.00 H new ATOM 413 N PRO A 30 -8.660 6.845 5.163 1.00 0.00 N ATOM 414 CA PRO A 30 -9.847 5.986 5.208 1.00 0.00 C ATOM 415 C PRO A 30 -10.961 6.488 4.296 1.00 0.00 C ATOM 416 O PRO A 30 -10.942 7.624 3.820 1.00 0.00 O ATOM 417 CB PRO A 30 -10.283 6.060 6.674 1.00 0.00 C ATOM 418 CG PRO A 30 -9.752 7.364 7.162 1.00 0.00 C ATOM 419 CD PRO A 30 -8.465 7.592 6.418 1.00 0.00 C ATOM 0 HA PRO A 30 -9.631 4.975 4.863 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.368 6.015 6.767 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.879 5.227 7.250 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.461 8.170 6.971 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.581 7.338 8.238 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.291 8.652 6.232 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.606 7.221 6.977 1.00 0.00 H new ATOM 427 N PRO A 31 -11.955 5.624 4.044 1.00 0.00 N ATOM 428 CA PRO A 31 -13.096 5.959 3.187 1.00 0.00 C ATOM 429 C PRO A 31 -14.021 6.988 3.828 1.00 0.00 C ATOM 430 O PRO A 31 -14.101 7.086 5.053 1.00 0.00 O ATOM 431 CB PRO A 31 -13.820 4.620 3.021 1.00 0.00 C ATOM 432 CG PRO A 31 -13.443 3.834 4.229 1.00 0.00 C ATOM 433 CD PRO A 31 -12.042 4.254 4.577 1.00 0.00 C ATOM 0 HA PRO A 31 -12.780 6.409 2.246 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -14.899 4.758 2.960 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.511 4.113 2.107 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -14.127 4.035 5.054 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.491 2.764 4.029 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -11.871 4.230 5.653 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.301 3.598 4.121 1.00 0.00 H new ATOM 441 N ASP A 32 -14.717 7.752 2.994 1.00 0.00 N ATOM 442 CA ASP A 32 -15.638 8.773 3.480 1.00 0.00 C ATOM 443 C ASP A 32 -16.692 8.161 4.399 1.00 0.00 C ATOM 444 O ASP A 32 -17.187 8.818 5.315 1.00 0.00 O ATOM 445 CB ASP A 32 -16.316 9.479 2.305 1.00 0.00 C ATOM 446 CG ASP A 32 -15.344 10.307 1.488 1.00 0.00 C ATOM 447 OD1 ASP A 32 -14.594 11.105 2.088 1.00 0.00 O ATOM 448 OD2 ASP A 32 -15.333 10.157 0.248 1.00 0.00 O ATOM 0 H ASP A 32 -14.661 7.684 1.978 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.064 9.503 4.051 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -16.786 8.736 1.661 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -17.110 10.123 2.681 1.00 0.00 H new ATOM 453 N HIS A 33 -17.030 6.901 4.146 1.00 0.00 N ATOM 454 CA HIS A 33 -18.025 6.201 4.951 1.00 0.00 C ATOM 455 C HIS A 33 -17.677 4.721 5.079 1.00 0.00 C ATOM 456 O HIS A 33 -16.782 4.223 4.396 1.00 0.00 O ATOM 457 CB HIS A 33 -19.414 6.357 4.331 1.00 0.00 C ATOM 458 CG HIS A 33 -20.029 7.702 4.570 1.00 0.00 C ATOM 459 ND1 HIS A 33 -20.588 8.070 5.775 1.00 0.00 N ATOM 460 CD2 HIS A 33 -20.168 8.770 3.750 1.00 0.00 C ATOM 461 CE1 HIS A 33 -21.047 9.306 5.686 1.00 0.00 C ATOM 462 NE2 HIS A 33 -20.804 9.754 4.467 1.00 0.00 N ATOM 0 H HIS A 33 -16.630 6.344 3.391 1.00 0.00 H new ATOM 0 HA HIS A 33 -18.027 6.644 5.947 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -19.345 6.184 3.257 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -20.072 5.588 4.736 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -19.840 8.836 2.723 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -21.537 9.856 6.475 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -21.049 10.680 4.116 1.00 0.00 H new ATOM 471 N ILE A 34 -18.388 4.025 5.960 1.00 0.00 N ATOM 472 CA ILE A 34 -18.153 2.603 6.177 1.00 0.00 C ATOM 473 C ILE A 34 -19.430 1.796 5.965 1.00 0.00 C ATOM 474 O ILE A 34 -20.507 2.191 6.410 1.00 0.00 O ATOM 475 CB ILE A 34 -17.617 2.331 7.595 1.00 0.00 C ATOM 476 CG1 ILE A 34 -16.409 3.223 7.887 1.00 0.00 C ATOM 477 CG2 ILE A 34 -17.249 0.863 7.750 1.00 0.00 C ATOM 478 CD1 ILE A 34 -15.116 2.701 7.298 1.00 0.00 C ATOM 0 H ILE A 34 -19.131 4.423 6.535 1.00 0.00 H new ATOM 0 HA ILE A 34 -17.404 2.292 5.448 1.00 0.00 H new ATOM 0 HB ILE A 34 -18.401 2.566 8.315 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -16.601 4.221 7.494 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -16.293 3.322 8.966 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -16.872 0.687 8.757 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -18.132 0.247 7.580 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -16.479 0.602 7.024 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -14.302 3.383 7.544 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -14.900 1.715 7.710 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -15.213 2.628 6.215 1.00 0.00 H new ATOM 490 N GLY A 35 -19.301 0.662 5.283 1.00 0.00 N ATOM 491 CA GLY A 35 -20.452 -0.183 5.026 1.00 0.00 C ATOM 492 C GLY A 35 -21.104 -0.679 6.301 1.00 0.00 C ATOM 493 O GLY A 35 -20.454 -0.777 7.341 1.00 0.00 O ATOM 0 H GLY A 35 -18.420 0.314 4.904 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -21.184 0.373 4.440 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -20.144 -1.037 4.423 1.00 0.00 H new ATOM 497 N ALA A 36 -22.394 -0.990 6.222 1.00 0.00 N ATOM 498 CA ALA A 36 -23.135 -1.478 7.379 1.00 0.00 C ATOM 499 C ALA A 36 -22.358 -2.568 8.108 1.00 0.00 C ATOM 500 O ALA A 36 -22.010 -2.418 9.279 1.00 0.00 O ATOM 501 CB ALA A 36 -24.500 -1.996 6.951 1.00 0.00 C ATOM 0 H ALA A 36 -22.948 -0.913 5.369 1.00 0.00 H new ATOM 0 HA ALA A 36 -23.275 -0.645 8.068 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -25.042 -2.357 7.825 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -25.064 -1.190 6.481 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -24.373 -2.812 6.240 1.00 0.00 H new ATOM 507 N ALA A 37 -22.089 -3.666 7.408 1.00 0.00 N ATOM 508 CA ALA A 37 -21.352 -4.781 7.989 1.00 0.00 C ATOM 509 C ALA A 37 -20.174 -4.286 8.821 1.00 0.00 C ATOM 510 O ALA A 37 -19.962 -4.737 9.946 1.00 0.00 O ATOM 511 CB ALA A 37 -20.870 -5.722 6.895 1.00 0.00 C ATOM 0 H ALA A 37 -22.371 -3.807 6.438 1.00 0.00 H new ATOM 0 HA ALA A 37 -22.026 -5.325 8.650 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -20.321 -6.550 7.343 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -21.727 -6.110 6.345 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -20.216 -5.181 6.212 1.00 0.00 H new ATOM 517 N GLY A 38 -19.408 -3.355 8.260 1.00 0.00 N ATOM 518 CA GLY A 38 -18.260 -2.815 8.964 1.00 0.00 C ATOM 519 C GLY A 38 -16.959 -3.056 8.223 1.00 0.00 C ATOM 520 O GLY A 38 -16.794 -4.081 7.560 1.00 0.00 O ATOM 0 H GLY A 38 -19.562 -2.965 7.330 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -18.398 -1.744 9.110 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.200 -3.267 9.954 1.00 0.00 H new ATOM 524 N LEU A 39 -16.034 -2.109 8.333 1.00 0.00 N ATOM 525 CA LEU A 39 -14.741 -2.222 7.667 1.00 0.00 C ATOM 526 C LEU A 39 -13.779 -3.078 8.485 1.00 0.00 C ATOM 527 O LEU A 39 -13.608 -2.862 9.685 1.00 0.00 O ATOM 528 CB LEU A 39 -14.139 -0.834 7.440 1.00 0.00 C ATOM 529 CG LEU A 39 -12.647 -0.795 7.108 1.00 0.00 C ATOM 530 CD1 LEU A 39 -12.431 -0.920 5.608 1.00 0.00 C ATOM 531 CD2 LEU A 39 -12.016 0.485 7.635 1.00 0.00 C ATOM 0 H LEU A 39 -16.155 -1.255 8.877 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.898 -2.706 6.703 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.684 -0.352 6.628 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.307 -0.236 8.336 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.164 -1.641 7.596 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.363 -0.890 5.390 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.846 -1.865 5.258 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.928 -0.094 5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.954 0.495 7.389 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -12.503 1.346 7.177 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.139 0.532 8.717 1.00 0.00 H new ATOM 543 N ASP A 40 -13.154 -4.048 7.828 1.00 0.00 N ATOM 544 CA ASP A 40 -12.206 -4.935 8.493 1.00 0.00 C ATOM 545 C ASP A 40 -10.780 -4.651 8.032 1.00 0.00 C ATOM 546 O ASP A 40 -10.330 -5.176 7.015 1.00 0.00 O ATOM 547 CB ASP A 40 -12.563 -6.396 8.218 1.00 0.00 C ATOM 548 CG ASP A 40 -14.057 -6.648 8.276 1.00 0.00 C ATOM 549 OD1 ASP A 40 -14.768 -5.854 8.927 1.00 0.00 O ATOM 550 OD2 ASP A 40 -14.515 -7.639 7.670 1.00 0.00 O ATOM 0 H ASP A 40 -13.286 -4.241 6.835 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.265 -4.751 9.566 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.188 -6.680 7.235 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.062 -7.033 8.947 1.00 0.00 H new ATOM 555 N GLY A 41 -10.074 -3.815 8.787 1.00 0.00 N ATOM 556 CA GLY A 41 -8.707 -3.474 8.439 1.00 0.00 C ATOM 557 C GLY A 41 -8.531 -3.230 6.954 1.00 0.00 C ATOM 558 O GLY A 41 -9.494 -2.929 6.249 1.00 0.00 O ATOM 0 H GLY A 41 -10.425 -3.368 9.634 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.407 -2.582 8.989 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.044 -4.280 8.753 1.00 0.00 H new ATOM 562 N TYR A 42 -7.298 -3.359 6.477 1.00 0.00 N ATOM 563 CA TYR A 42 -6.997 -3.146 5.066 1.00 0.00 C ATOM 564 C TYR A 42 -5.933 -4.126 4.582 1.00 0.00 C ATOM 565 O TYR A 42 -5.335 -4.853 5.375 1.00 0.00 O ATOM 566 CB TYR A 42 -6.526 -1.709 4.835 1.00 0.00 C ATOM 567 CG TYR A 42 -7.342 -0.677 5.580 1.00 0.00 C ATOM 568 CD1 TYR A 42 -7.004 -0.297 6.873 1.00 0.00 C ATOM 569 CD2 TYR A 42 -8.451 -0.082 4.992 1.00 0.00 C ATOM 570 CE1 TYR A 42 -7.746 0.645 7.558 1.00 0.00 C ATOM 571 CE2 TYR A 42 -9.199 0.862 5.669 1.00 0.00 C ATOM 572 CZ TYR A 42 -8.842 1.222 6.952 1.00 0.00 C ATOM 573 OH TYR A 42 -9.585 2.161 7.630 1.00 0.00 O ATOM 0 H TYR A 42 -6.490 -3.610 7.047 1.00 0.00 H new ATOM 0 HA TYR A 42 -7.910 -3.318 4.496 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -5.483 -1.624 5.140 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.565 -1.490 3.768 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.146 -0.746 7.351 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -8.733 -0.362 3.988 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -7.469 0.928 8.563 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -10.058 1.315 5.197 1.00 0.00 H new ATOM 0 HH TYR A 42 -10.163 2.638 6.999 1.00 0.00 H new ATOM 583 N VAL A 43 -5.703 -4.140 3.273 1.00 0.00 N ATOM 584 CA VAL A 43 -4.710 -5.028 2.680 1.00 0.00 C ATOM 585 C VAL A 43 -3.815 -4.277 1.702 1.00 0.00 C ATOM 586 O VAL A 43 -4.285 -3.444 0.927 1.00 0.00 O ATOM 587 CB VAL A 43 -5.378 -6.207 1.947 1.00 0.00 C ATOM 588 CG1 VAL A 43 -4.327 -7.154 1.390 1.00 0.00 C ATOM 589 CG2 VAL A 43 -6.330 -6.942 2.879 1.00 0.00 C ATOM 0 H VAL A 43 -6.191 -3.546 2.603 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.103 -5.415 3.498 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.956 -5.813 1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.818 -7.980 0.876 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.689 -6.617 0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.720 -7.544 2.207 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.793 -7.772 2.345 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.776 -7.326 3.736 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.103 -6.256 3.224 1.00 0.00 H new ATOM 599 N LEU A 44 -2.521 -4.578 1.742 1.00 0.00 N ATOM 600 CA LEU A 44 -1.558 -3.932 0.858 1.00 0.00 C ATOM 601 C LEU A 44 -0.684 -4.966 0.156 1.00 0.00 C ATOM 602 O LEU A 44 -0.114 -5.848 0.797 1.00 0.00 O ATOM 603 CB LEU A 44 -0.681 -2.960 1.650 1.00 0.00 C ATOM 604 CG LEU A 44 0.330 -2.152 0.836 1.00 0.00 C ATOM 605 CD1 LEU A 44 0.586 -0.803 1.490 1.00 0.00 C ATOM 606 CD2 LEU A 44 1.630 -2.927 0.680 1.00 0.00 C ATOM 0 H LEU A 44 -2.115 -5.265 2.377 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.112 -3.378 0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.332 -2.263 2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.138 -3.526 2.407 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.087 -1.978 -0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.308 -0.242 0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.348 -0.244 1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.982 -0.955 2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.338 -2.337 0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.051 -3.132 1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.433 -3.868 0.166 1.00 0.00 H new ATOM 618 N GLU A 45 -0.582 -4.849 -1.165 1.00 0.00 N ATOM 619 CA GLU A 45 0.224 -5.773 -1.953 1.00 0.00 C ATOM 620 C GLU A 45 1.247 -5.019 -2.798 1.00 0.00 C ATOM 621 O GLU A 45 1.115 -3.817 -3.026 1.00 0.00 O ATOM 622 CB GLU A 45 -0.672 -6.624 -2.856 1.00 0.00 C ATOM 623 CG GLU A 45 -1.135 -7.918 -2.209 1.00 0.00 C ATOM 624 CD GLU A 45 -0.182 -9.071 -2.463 1.00 0.00 C ATOM 625 OE1 GLU A 45 0.922 -8.822 -2.989 1.00 0.00 O ATOM 626 OE2 GLU A 45 -0.541 -10.221 -2.135 1.00 0.00 O ATOM 0 H GLU A 45 -1.047 -4.124 -1.711 1.00 0.00 H new ATOM 0 HA GLU A 45 0.759 -6.427 -1.264 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.545 -6.038 -3.143 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.131 -6.859 -3.773 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.238 -7.766 -1.135 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.123 -8.177 -2.590 1.00 0.00 H new ATOM 633 N TYR A 46 2.267 -5.735 -3.259 1.00 0.00 N ATOM 634 CA TYR A 46 3.315 -5.134 -4.076 1.00 0.00 C ATOM 635 C TYR A 46 3.894 -6.151 -5.054 1.00 0.00 C ATOM 636 O TYR A 46 4.204 -7.283 -4.679 1.00 0.00 O ATOM 637 CB TYR A 46 4.427 -4.574 -3.186 1.00 0.00 C ATOM 638 CG TYR A 46 5.370 -5.632 -2.659 1.00 0.00 C ATOM 639 CD1 TYR A 46 4.981 -6.490 -1.638 1.00 0.00 C ATOM 640 CD2 TYR A 46 6.649 -5.773 -3.182 1.00 0.00 C ATOM 641 CE1 TYR A 46 5.840 -7.458 -1.152 1.00 0.00 C ATOM 642 CE2 TYR A 46 7.514 -6.739 -2.704 1.00 0.00 C ATOM 643 CZ TYR A 46 7.105 -7.578 -1.688 1.00 0.00 C ATOM 644 OH TYR A 46 7.963 -8.541 -1.208 1.00 0.00 O ATOM 0 H TYR A 46 2.390 -6.732 -3.081 1.00 0.00 H new ATOM 0 HA TYR A 46 2.872 -4.319 -4.648 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.999 -3.839 -3.752 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.977 -4.048 -2.344 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.991 -6.399 -1.217 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.973 -5.116 -3.976 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.522 -8.116 -0.357 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.504 -6.837 -3.123 1.00 0.00 H new ATOM 0 HH TYR A 46 8.813 -8.493 -1.693 1.00 0.00 H new ATOM 654 N CYS A 47 4.038 -5.740 -6.309 1.00 0.00 N ATOM 655 CA CYS A 47 4.580 -6.615 -7.342 1.00 0.00 C ATOM 656 C CYS A 47 5.999 -6.198 -7.718 1.00 0.00 C ATOM 657 O CYS A 47 6.264 -5.024 -7.980 1.00 0.00 O ATOM 658 CB CYS A 47 3.684 -6.591 -8.581 1.00 0.00 C ATOM 659 SG CYS A 47 4.516 -7.098 -10.104 1.00 0.00 S ATOM 0 H CYS A 47 3.787 -4.807 -6.636 1.00 0.00 H new ATOM 0 HA CYS A 47 4.612 -7.629 -6.945 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.830 -7.246 -8.411 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.291 -5.583 -8.713 1.00 0.00 H new ATOM 0 HG CYS A 47 3.676 -7.047 -11.095 1.00 0.00 H new ATOM 665 N PHE A 48 6.907 -7.167 -7.742 1.00 0.00 N ATOM 666 CA PHE A 48 8.300 -6.901 -8.083 1.00 0.00 C ATOM 667 C PHE A 48 8.514 -6.975 -9.592 1.00 0.00 C ATOM 668 O PHE A 48 8.015 -7.883 -10.256 1.00 0.00 O ATOM 669 CB PHE A 48 9.220 -7.899 -7.376 1.00 0.00 C ATOM 670 CG PHE A 48 10.576 -7.339 -7.054 1.00 0.00 C ATOM 671 CD1 PHE A 48 10.770 -6.567 -5.920 1.00 0.00 C ATOM 672 CD2 PHE A 48 11.657 -7.586 -7.886 1.00 0.00 C ATOM 673 CE1 PHE A 48 12.017 -6.051 -5.621 1.00 0.00 C ATOM 674 CE2 PHE A 48 12.906 -7.073 -7.591 1.00 0.00 C ATOM 675 CZ PHE A 48 13.086 -6.303 -6.458 1.00 0.00 C ATOM 0 H PHE A 48 6.704 -8.144 -7.529 1.00 0.00 H new ATOM 0 HA PHE A 48 8.544 -5.893 -7.748 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.744 -8.230 -6.453 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.340 -8.780 -8.006 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.937 -6.366 -5.262 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.522 -8.186 -8.774 1.00 0.00 H new ATOM 0 HE1 PHE A 48 12.155 -5.451 -4.734 1.00 0.00 H new ATOM 0 HE2 PHE A 48 13.741 -7.274 -8.246 1.00 0.00 H new ATOM 0 HZ PHE A 48 14.061 -5.899 -6.227 1.00 0.00 H new ATOM 685 N GLU A 49 9.260 -6.013 -10.126 1.00 0.00 N ATOM 686 CA GLU A 49 9.539 -5.968 -11.556 1.00 0.00 C ATOM 687 C GLU A 49 10.211 -7.257 -12.020 1.00 0.00 C ATOM 688 O GLU A 49 11.060 -7.812 -11.324 1.00 0.00 O ATOM 689 CB GLU A 49 10.428 -4.768 -11.888 1.00 0.00 C ATOM 690 CG GLU A 49 11.811 -4.844 -11.262 1.00 0.00 C ATOM 691 CD GLU A 49 12.562 -3.530 -11.348 1.00 0.00 C ATOM 692 OE1 GLU A 49 13.197 -3.276 -12.393 1.00 0.00 O ATOM 693 OE2 GLU A 49 12.516 -2.755 -10.370 1.00 0.00 O ATOM 0 H GLU A 49 9.682 -5.255 -9.590 1.00 0.00 H new ATOM 0 HA GLU A 49 8.590 -5.864 -12.082 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.532 -4.692 -12.970 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.935 -3.857 -11.550 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.717 -5.137 -10.216 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.389 -5.622 -11.760 1.00 0.00 H new ATOM 700 N GLY A 50 9.824 -7.728 -13.202 1.00 0.00 N ATOM 701 CA GLY A 50 10.398 -8.948 -13.738 1.00 0.00 C ATOM 702 C GLY A 50 9.575 -10.175 -13.397 1.00 0.00 C ATOM 703 O GLY A 50 9.889 -11.284 -13.832 1.00 0.00 O ATOM 0 H GLY A 50 9.123 -7.286 -13.797 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.483 -8.861 -14.821 1.00 0.00 H new ATOM 0 HA3 GLY A 50 11.408 -9.072 -13.348 1.00 0.00 H new ATOM 707 N THR A 51 8.518 -9.979 -12.615 1.00 0.00 N ATOM 708 CA THR A 51 7.649 -11.078 -12.214 1.00 0.00 C ATOM 709 C THR A 51 6.244 -10.902 -12.778 1.00 0.00 C ATOM 710 O THR A 51 5.955 -9.912 -13.449 1.00 0.00 O ATOM 711 CB THR A 51 7.564 -11.195 -10.680 1.00 0.00 C ATOM 712 OG1 THR A 51 6.722 -10.161 -10.156 1.00 0.00 O ATOM 713 CG2 THR A 51 8.946 -11.098 -10.052 1.00 0.00 C ATOM 0 H THR A 51 8.243 -9.068 -12.247 1.00 0.00 H new ATOM 0 HA THR A 51 8.087 -11.991 -12.617 1.00 0.00 H new ATOM 0 HB THR A 51 7.139 -12.168 -10.435 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.013 -9.293 -10.507 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.860 -11.183 -8.969 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.575 -11.904 -10.431 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.394 -10.138 -10.306 1.00 0.00 H new ATOM 721 N GLU A 52 5.375 -11.869 -12.501 1.00 0.00 N ATOM 722 CA GLU A 52 4.000 -11.820 -12.982 1.00 0.00 C ATOM 723 C GLU A 52 3.015 -12.051 -11.840 1.00 0.00 C ATOM 724 O GLU A 52 1.803 -12.107 -12.052 1.00 0.00 O ATOM 725 CB GLU A 52 3.781 -12.867 -14.077 1.00 0.00 C ATOM 726 CG GLU A 52 4.169 -14.275 -13.659 1.00 0.00 C ATOM 727 CD GLU A 52 5.652 -14.410 -13.371 1.00 0.00 C ATOM 728 OE1 GLU A 52 6.440 -14.473 -14.337 1.00 0.00 O ATOM 729 OE2 GLU A 52 6.023 -14.453 -12.179 1.00 0.00 O ATOM 0 H GLU A 52 5.599 -12.695 -11.946 1.00 0.00 H new ATOM 0 HA GLU A 52 3.823 -10.828 -13.397 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.731 -12.860 -14.370 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.359 -12.586 -14.957 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.603 -14.555 -12.771 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.891 -14.974 -14.448 1.00 0.00 H new ATOM 736 N ASP A 53 3.544 -12.184 -10.629 1.00 0.00 N ATOM 737 CA ASP A 53 2.713 -12.407 -9.451 1.00 0.00 C ATOM 738 C ASP A 53 3.040 -11.399 -8.355 1.00 0.00 C ATOM 739 O ASP A 53 4.201 -11.041 -8.154 1.00 0.00 O ATOM 740 CB ASP A 53 2.907 -13.831 -8.927 1.00 0.00 C ATOM 741 CG ASP A 53 4.230 -14.006 -8.206 1.00 0.00 C ATOM 742 OD1 ASP A 53 5.208 -13.329 -8.586 1.00 0.00 O ATOM 743 OD2 ASP A 53 4.286 -14.820 -7.260 1.00 0.00 O ATOM 0 H ASP A 53 4.545 -12.141 -10.437 1.00 0.00 H new ATOM 0 HA ASP A 53 1.671 -12.273 -9.741 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.091 -14.080 -8.249 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.855 -14.532 -9.760 1.00 0.00 H new ATOM 748 N TRP A 54 2.011 -10.943 -7.651 1.00 0.00 N ATOM 749 CA TRP A 54 2.189 -9.974 -6.575 1.00 0.00 C ATOM 750 C TRP A 54 2.610 -10.666 -5.284 1.00 0.00 C ATOM 751 O TRP A 54 2.312 -11.842 -5.073 1.00 0.00 O ATOM 752 CB TRP A 54 0.897 -9.188 -6.350 1.00 0.00 C ATOM 753 CG TRP A 54 0.611 -8.191 -7.431 1.00 0.00 C ATOM 754 CD1 TRP A 54 0.215 -8.459 -8.710 1.00 0.00 C ATOM 755 CD2 TRP A 54 0.703 -6.765 -7.328 1.00 0.00 C ATOM 756 NE1 TRP A 54 0.054 -7.287 -9.409 1.00 0.00 N ATOM 757 CE2 TRP A 54 0.346 -6.234 -8.583 1.00 0.00 C ATOM 758 CE3 TRP A 54 1.048 -5.887 -6.298 1.00 0.00 C ATOM 759 CZ2 TRP A 54 0.328 -4.864 -8.833 1.00 0.00 C ATOM 760 CZ3 TRP A 54 1.030 -4.528 -6.548 1.00 0.00 C ATOM 761 CH2 TRP A 54 0.671 -4.027 -7.806 1.00 0.00 C ATOM 0 H TRP A 54 1.044 -11.228 -7.805 1.00 0.00 H new ATOM 0 HA TRP A 54 2.979 -9.283 -6.869 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.063 -9.886 -6.280 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.958 -8.668 -5.394 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.052 -9.448 -9.113 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.236 -7.213 -10.384 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.324 -6.263 -5.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.053 -4.476 -9.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.297 -3.840 -5.760 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.665 -2.959 -7.969 1.00 0.00 H new ATOM 772 N ILE A 55 3.304 -9.930 -4.422 1.00 0.00 N ATOM 773 CA ILE A 55 3.764 -10.473 -3.150 1.00 0.00 C ATOM 774 C ILE A 55 3.043 -9.816 -1.978 1.00 0.00 C ATOM 775 O ILE A 55 3.113 -8.601 -1.795 1.00 0.00 O ATOM 776 CB ILE A 55 5.282 -10.286 -2.975 1.00 0.00 C ATOM 777 CG1 ILE A 55 6.042 -11.056 -4.057 1.00 0.00 C ATOM 778 CG2 ILE A 55 5.715 -10.743 -1.590 1.00 0.00 C ATOM 779 CD1 ILE A 55 7.428 -10.514 -4.324 1.00 0.00 C ATOM 0 H ILE A 55 3.560 -8.956 -4.582 1.00 0.00 H new ATOM 0 HA ILE A 55 3.536 -11.539 -3.161 1.00 0.00 H new ATOM 0 HB ILE A 55 5.517 -9.226 -3.078 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.121 -12.102 -3.760 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.466 -11.030 -4.982 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.791 -10.605 -1.481 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.195 -10.155 -0.834 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.470 -11.797 -1.462 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.908 -11.108 -5.102 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.356 -9.477 -4.652 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.021 -10.565 -3.411 1.00 0.00 H new ATOM 791 N VAL A 56 2.350 -10.628 -1.186 1.00 0.00 N ATOM 792 CA VAL A 56 1.619 -10.126 -0.029 1.00 0.00 C ATOM 793 C VAL A 56 2.542 -9.368 0.919 1.00 0.00 C ATOM 794 O VAL A 56 3.719 -9.702 1.054 1.00 0.00 O ATOM 795 CB VAL A 56 0.936 -11.271 0.743 1.00 0.00 C ATOM 796 CG1 VAL A 56 0.165 -10.726 1.936 1.00 0.00 C ATOM 797 CG2 VAL A 56 0.020 -12.062 -0.178 1.00 0.00 C ATOM 0 H VAL A 56 2.280 -11.636 -1.325 1.00 0.00 H new ATOM 0 HA VAL A 56 0.856 -9.446 -0.408 1.00 0.00 H new ATOM 0 HB VAL A 56 1.707 -11.944 1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.311 -11.549 2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.851 -10.208 2.606 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.598 -10.030 1.589 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.454 -12.867 0.384 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.747 -11.402 -0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.603 -12.485 -0.996 1.00 0.00 H new ATOM 807 N ALA A 57 1.999 -8.347 1.574 1.00 0.00 N ATOM 808 CA ALA A 57 2.773 -7.543 2.512 1.00 0.00 C ATOM 809 C ALA A 57 2.218 -7.664 3.927 1.00 0.00 C ATOM 810 O ALA A 57 2.949 -7.978 4.865 1.00 0.00 O ATOM 811 CB ALA A 57 2.788 -6.087 2.071 1.00 0.00 C ATOM 0 H ALA A 57 1.026 -8.057 1.472 1.00 0.00 H new ATOM 0 HA ALA A 57 3.796 -7.920 2.518 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.369 -5.498 2.780 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.238 -6.011 1.081 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.767 -5.707 2.035 1.00 0.00 H new ATOM 817 N ASN A 58 0.921 -7.412 4.072 1.00 0.00 N ATOM 818 CA ASN A 58 0.269 -7.491 5.374 1.00 0.00 C ATOM 819 C ASN A 58 -0.002 -8.943 5.760 1.00 0.00 C ATOM 820 O ASN A 58 -0.486 -9.732 4.949 1.00 0.00 O ATOM 821 CB ASN A 58 -1.043 -6.703 5.360 1.00 0.00 C ATOM 822 CG ASN A 58 -2.067 -7.266 6.326 1.00 0.00 C ATOM 823 OD1 ASN A 58 -1.787 -7.440 7.512 1.00 0.00 O ATOM 824 ND2 ASN A 58 -3.260 -7.555 5.821 1.00 0.00 N ATOM 0 H ASN A 58 0.301 -7.152 3.305 1.00 0.00 H new ATOM 0 HA ASN A 58 0.939 -7.055 6.115 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.841 -5.663 5.615 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.457 -6.710 4.352 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.989 -7.938 6.423 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.447 -7.394 4.831 1.00 0.00 H new ATOM 831 N LYS A 59 0.314 -9.287 7.003 1.00 0.00 N ATOM 832 CA LYS A 59 0.105 -10.643 7.499 1.00 0.00 C ATOM 833 C LYS A 59 -1.384 -10.957 7.609 1.00 0.00 C ATOM 834 O LYS A 59 -1.900 -11.820 6.898 1.00 0.00 O ATOM 835 CB LYS A 59 0.776 -10.819 8.863 1.00 0.00 C ATOM 836 CG LYS A 59 1.232 -12.241 9.137 1.00 0.00 C ATOM 837 CD LYS A 59 2.235 -12.295 10.277 1.00 0.00 C ATOM 838 CE LYS A 59 2.685 -13.721 10.557 1.00 0.00 C ATOM 839 NZ LYS A 59 3.850 -13.764 11.483 1.00 0.00 N ATOM 0 H LYS A 59 0.716 -8.646 7.687 1.00 0.00 H new ATOM 0 HA LYS A 59 0.554 -11.337 6.788 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.636 -10.152 8.924 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.079 -10.513 9.643 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.369 -12.860 9.381 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.681 -12.660 8.236 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.101 -11.681 10.030 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.789 -11.870 11.176 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.858 -14.285 10.988 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.949 -14.209 9.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.126 -14.753 11.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.648 -13.248 11.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.591 -13.321 12.388 1.00 0.00 H new ATOM 853 N ASP A 60 -2.068 -10.252 8.503 1.00 0.00 N ATOM 854 CA ASP A 60 -3.498 -10.455 8.704 1.00 0.00 C ATOM 855 C ASP A 60 -4.289 -9.227 8.263 1.00 0.00 C ATOM 856 O ASP A 60 -4.966 -9.249 7.234 1.00 0.00 O ATOM 857 CB ASP A 60 -3.790 -10.763 10.174 1.00 0.00 C ATOM 858 CG ASP A 60 -3.278 -12.127 10.592 1.00 0.00 C ATOM 859 OD1 ASP A 60 -2.065 -12.248 10.867 1.00 0.00 O ATOM 860 OD2 ASP A 60 -4.090 -13.074 10.646 1.00 0.00 O ATOM 0 H ASP A 60 -1.656 -9.535 9.100 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.808 -11.304 8.094 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.331 -9.998 10.801 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.865 -10.713 10.346 1.00 0.00 H new ATOM 865 N LEU A 61 -4.198 -8.158 9.046 1.00 0.00 N ATOM 866 CA LEU A 61 -4.906 -6.921 8.737 1.00 0.00 C ATOM 867 C LEU A 61 -4.105 -5.706 9.196 1.00 0.00 C ATOM 868 O LEU A 61 -3.491 -5.723 10.263 1.00 0.00 O ATOM 869 CB LEU A 61 -6.284 -6.918 9.401 1.00 0.00 C ATOM 870 CG LEU A 61 -7.089 -8.212 9.280 1.00 0.00 C ATOM 871 CD1 LEU A 61 -8.265 -8.201 10.245 1.00 0.00 C ATOM 872 CD2 LEU A 61 -7.572 -8.408 7.851 1.00 0.00 C ATOM 0 H LEU A 61 -3.641 -8.123 9.900 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.031 -6.864 7.656 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.155 -6.691 10.459 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.871 -6.107 8.971 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.439 -9.047 9.540 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.827 -9.130 10.145 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.896 -8.108 11.267 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -8.916 -7.357 10.016 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.143 -9.334 7.784 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.206 -7.569 7.563 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.714 -8.461 7.181 1.00 0.00 H new ATOM 884 N ILE A 62 -4.118 -4.654 8.384 1.00 0.00 N ATOM 885 CA ILE A 62 -3.396 -3.431 8.709 1.00 0.00 C ATOM 886 C ILE A 62 -4.241 -2.509 9.581 1.00 0.00 C ATOM 887 O ILE A 62 -5.168 -1.858 9.098 1.00 0.00 O ATOM 888 CB ILE A 62 -2.974 -2.671 7.437 1.00 0.00 C ATOM 889 CG1 ILE A 62 -2.133 -3.575 6.533 1.00 0.00 C ATOM 890 CG2 ILE A 62 -2.202 -1.413 7.803 1.00 0.00 C ATOM 891 CD1 ILE A 62 -2.009 -3.063 5.115 1.00 0.00 C ATOM 0 H ILE A 62 -4.620 -4.625 7.497 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.503 -3.729 9.258 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.871 -2.377 6.892 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.136 -3.678 6.962 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.577 -4.570 6.514 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.911 -0.887 6.894 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.832 -0.764 8.412 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.309 -1.685 8.366 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.400 -3.753 4.531 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.000 -2.986 4.668 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.537 -2.080 5.123 1.00 0.00 H new ATOM 903 N ASP A 63 -3.914 -2.456 10.868 1.00 0.00 N ATOM 904 CA ASP A 63 -4.641 -1.611 11.808 1.00 0.00 C ATOM 905 C ASP A 63 -4.436 -0.135 11.482 1.00 0.00 C ATOM 906 O ASP A 63 -5.392 0.590 11.206 1.00 0.00 O ATOM 907 CB ASP A 63 -4.187 -1.898 13.240 1.00 0.00 C ATOM 908 CG ASP A 63 -4.349 -3.357 13.617 1.00 0.00 C ATOM 909 OD1 ASP A 63 -5.501 -3.793 13.822 1.00 0.00 O ATOM 910 OD2 ASP A 63 -3.323 -4.063 13.707 1.00 0.00 O ATOM 0 H ASP A 63 -3.150 -2.989 11.284 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.703 -1.840 11.719 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.141 -1.611 13.351 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.762 -1.281 13.931 1.00 0.00 H new ATOM 915 N LYS A 64 -3.183 0.305 11.518 1.00 0.00 N ATOM 916 CA LYS A 64 -2.851 1.695 11.226 1.00 0.00 C ATOM 917 C LYS A 64 -3.109 2.020 9.759 1.00 0.00 C ATOM 918 O LYS A 64 -3.347 1.126 8.946 1.00 0.00 O ATOM 919 CB LYS A 64 -1.386 1.974 11.571 1.00 0.00 C ATOM 920 CG LYS A 64 -1.055 1.759 13.038 1.00 0.00 C ATOM 921 CD LYS A 64 -1.665 2.842 13.912 1.00 0.00 C ATOM 922 CE LYS A 64 -1.564 2.489 15.388 1.00 0.00 C ATOM 923 NZ LYS A 64 -0.204 2.760 15.931 1.00 0.00 N ATOM 0 H LYS A 64 -2.380 -0.281 11.747 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.490 2.331 11.838 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.750 1.329 10.965 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.147 3.002 11.300 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.423 0.784 13.356 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.027 1.750 13.170 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.157 3.789 13.728 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.711 2.983 13.641 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.301 3.063 15.950 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.807 1.436 15.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.176 2.506 16.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.496 2.193 15.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.019 3.770 15.822 1.00 0.00 H new ATOM 937 N THR A 65 -3.060 3.306 9.424 1.00 0.00 N ATOM 938 CA THR A 65 -3.288 3.749 8.055 1.00 0.00 C ATOM 939 C THR A 65 -1.978 3.837 7.280 1.00 0.00 C ATOM 940 O THR A 65 -1.941 4.342 6.158 1.00 0.00 O ATOM 941 CB THR A 65 -3.988 5.120 8.017 1.00 0.00 C ATOM 942 OG1 THR A 65 -3.378 6.007 8.962 1.00 0.00 O ATOM 943 CG2 THR A 65 -5.470 4.980 8.328 1.00 0.00 C ATOM 0 H THR A 65 -2.864 4.059 10.083 1.00 0.00 H new ATOM 0 HA THR A 65 -3.935 3.007 7.586 1.00 0.00 H new ATOM 0 HB THR A 65 -3.882 5.530 7.013 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.827 6.877 8.931 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.943 5.962 8.295 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.937 4.328 7.590 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.594 4.550 9.322 1.00 0.00 H new ATOM 951 N LYS A 66 -0.904 3.343 7.885 1.00 0.00 N ATOM 952 CA LYS A 66 0.410 3.364 7.252 1.00 0.00 C ATOM 953 C LYS A 66 1.007 1.962 7.190 1.00 0.00 C ATOM 954 O LYS A 66 0.697 1.108 8.021 1.00 0.00 O ATOM 955 CB LYS A 66 1.352 4.298 8.015 1.00 0.00 C ATOM 956 CG LYS A 66 1.221 5.757 7.611 1.00 0.00 C ATOM 957 CD LYS A 66 2.350 6.597 8.182 1.00 0.00 C ATOM 958 CE LYS A 66 3.666 6.321 7.471 1.00 0.00 C ATOM 959 NZ LYS A 66 4.767 7.181 7.987 1.00 0.00 N ATOM 0 H LYS A 66 -0.917 2.922 8.814 1.00 0.00 H new ATOM 0 HA LYS A 66 0.289 3.733 6.234 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.155 4.206 9.083 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.380 3.976 7.852 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.222 5.836 6.524 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.264 6.147 7.958 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.101 7.654 8.090 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.459 6.387 9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.934 5.272 7.598 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.543 6.491 6.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.676 6.691 7.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.783 8.078 7.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.611 7.376 8.997 1.00 0.00 H new ATOM 973 N PHE A 67 1.865 1.732 6.202 1.00 0.00 N ATOM 974 CA PHE A 67 2.506 0.434 6.033 1.00 0.00 C ATOM 975 C PHE A 67 3.899 0.589 5.430 1.00 0.00 C ATOM 976 O PHE A 67 4.139 1.478 4.612 1.00 0.00 O ATOM 977 CB PHE A 67 1.650 -0.469 5.142 1.00 0.00 C ATOM 978 CG PHE A 67 2.214 -1.851 4.972 1.00 0.00 C ATOM 979 CD1 PHE A 67 3.124 -2.123 3.963 1.00 0.00 C ATOM 980 CD2 PHE A 67 1.834 -2.878 5.820 1.00 0.00 C ATOM 981 CE1 PHE A 67 3.644 -3.393 3.803 1.00 0.00 C ATOM 982 CE2 PHE A 67 2.351 -4.151 5.666 1.00 0.00 C ATOM 983 CZ PHE A 67 3.257 -4.409 4.655 1.00 0.00 C ATOM 0 H PHE A 67 2.132 2.428 5.506 1.00 0.00 H new ATOM 0 HA PHE A 67 2.604 -0.025 7.017 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.649 -0.543 5.568 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.545 -0.005 4.161 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.430 -1.333 3.294 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.125 -2.682 6.611 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.353 -3.591 3.012 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.047 -4.943 6.335 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.662 -5.403 4.531 1.00 0.00 H new ATOM 993 N THR A 68 4.816 -0.283 5.839 1.00 0.00 N ATOM 994 CA THR A 68 6.185 -0.242 5.342 1.00 0.00 C ATOM 995 C THR A 68 6.649 -1.624 4.896 1.00 0.00 C ATOM 996 O THR A 68 6.588 -2.586 5.662 1.00 0.00 O ATOM 997 CB THR A 68 7.156 0.293 6.411 1.00 0.00 C ATOM 998 OG1 THR A 68 6.859 1.663 6.701 1.00 0.00 O ATOM 999 CG2 THR A 68 8.598 0.169 5.943 1.00 0.00 C ATOM 0 H THR A 68 4.634 -1.026 6.514 1.00 0.00 H new ATOM 0 HA THR A 68 6.190 0.434 4.487 1.00 0.00 H new ATOM 0 HB THR A 68 7.032 -0.304 7.314 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.480 1.995 7.383 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.265 0.553 6.715 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.830 -0.879 5.752 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.734 0.744 5.027 1.00 0.00 H new ATOM 1007 N ILE A 69 7.113 -1.715 3.654 1.00 0.00 N ATOM 1008 CA ILE A 69 7.589 -2.980 3.108 1.00 0.00 C ATOM 1009 C ILE A 69 9.030 -3.252 3.527 1.00 0.00 C ATOM 1010 O ILE A 69 9.964 -2.628 3.023 1.00 0.00 O ATOM 1011 CB ILE A 69 7.501 -2.998 1.570 1.00 0.00 C ATOM 1012 CG1 ILE A 69 6.075 -2.679 1.115 1.00 0.00 C ATOM 1013 CG2 ILE A 69 7.945 -4.349 1.030 1.00 0.00 C ATOM 1014 CD1 ILE A 69 5.997 -2.150 -0.300 1.00 0.00 C ATOM 0 H ILE A 69 7.169 -0.928 3.007 1.00 0.00 H new ATOM 0 HA ILE A 69 6.943 -3.760 3.510 1.00 0.00 H new ATOM 0 HB ILE A 69 8.168 -2.233 1.174 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.468 -3.581 1.191 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.641 -1.944 1.793 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.877 -4.346 -0.058 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.976 -4.539 1.329 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.301 -5.131 1.432 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.957 -1.946 -0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.577 -1.230 -0.377 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.400 -2.892 -0.989 1.00 0.00 H new ATOM 1026 N THR A 70 9.204 -4.191 4.452 1.00 0.00 N ATOM 1027 CA THR A 70 10.530 -4.547 4.939 1.00 0.00 C ATOM 1028 C THR A 70 11.219 -5.526 3.994 1.00 0.00 C ATOM 1029 O THR A 70 10.563 -6.323 3.325 1.00 0.00 O ATOM 1030 CB THR A 70 10.464 -5.171 6.346 1.00 0.00 C ATOM 1031 OG1 THR A 70 9.537 -6.262 6.355 1.00 0.00 O ATOM 1032 CG2 THR A 70 10.044 -4.134 7.378 1.00 0.00 C ATOM 0 H THR A 70 8.442 -4.719 4.879 1.00 0.00 H new ATOM 0 HA THR A 70 11.107 -3.623 4.986 1.00 0.00 H new ATOM 0 HB THR A 70 11.458 -5.537 6.604 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.502 -6.654 7.252 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.004 -4.597 8.364 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.767 -3.318 7.389 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.060 -3.743 7.121 1.00 0.00 H new ATOM 1040 N GLY A 71 12.546 -5.460 3.945 1.00 0.00 N ATOM 1041 CA GLY A 71 13.301 -6.347 3.079 1.00 0.00 C ATOM 1042 C GLY A 71 13.137 -6.002 1.612 1.00 0.00 C ATOM 1043 O GLY A 71 12.418 -6.686 0.882 1.00 0.00 O ATOM 0 H GLY A 71 13.111 -4.808 4.489 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.357 -6.298 3.345 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.978 -7.375 3.246 1.00 0.00 H new ATOM 1047 N LEU A 72 13.803 -4.938 1.178 1.00 0.00 N ATOM 1048 CA LEU A 72 13.726 -4.502 -0.212 1.00 0.00 C ATOM 1049 C LEU A 72 15.112 -4.168 -0.755 1.00 0.00 C ATOM 1050 O LEU A 72 15.907 -3.479 -0.116 1.00 0.00 O ATOM 1051 CB LEU A 72 12.811 -3.283 -0.335 1.00 0.00 C ATOM 1052 CG LEU A 72 11.310 -3.571 -0.372 1.00 0.00 C ATOM 1053 CD1 LEU A 72 10.515 -2.286 -0.201 1.00 0.00 C ATOM 1054 CD2 LEU A 72 10.932 -4.265 -1.672 1.00 0.00 C ATOM 0 H LEU A 72 14.402 -4.361 1.768 1.00 0.00 H new ATOM 0 HA LEU A 72 13.312 -5.320 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.012 -2.617 0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 72 13.079 -2.743 -1.243 1.00 0.00 H new ATOM 0 HG LEU A 72 11.067 -4.237 0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.449 -2.511 -0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.763 -1.829 0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.762 -1.595 -1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.860 -4.462 -1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.190 -3.624 -2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.475 -5.207 -1.753 1.00 0.00 H new ATOM 1066 N PRO A 73 15.410 -4.666 -1.964 1.00 0.00 N ATOM 1067 CA PRO A 73 16.699 -4.432 -2.622 1.00 0.00 C ATOM 1068 C PRO A 73 16.867 -2.984 -3.068 1.00 0.00 C ATOM 1069 O PRO A 73 15.993 -2.420 -3.728 1.00 0.00 O ATOM 1070 CB PRO A 73 16.653 -5.364 -3.835 1.00 0.00 C ATOM 1071 CG PRO A 73 15.202 -5.546 -4.118 1.00 0.00 C ATOM 1072 CD PRO A 73 14.511 -5.496 -2.784 1.00 0.00 C ATOM 0 HA PRO A 73 17.539 -4.622 -1.953 1.00 0.00 H new ATOM 0 HB2 PRO A 73 17.171 -4.928 -4.689 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.137 -6.317 -3.621 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.832 -4.762 -4.779 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.018 -6.497 -4.617 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.517 -5.055 -2.863 1.00 0.00 H new ATOM 0 HD3 PRO A 73 14.385 -6.492 -2.359 1.00 0.00 H new ATOM 1080 N THR A 74 17.997 -2.385 -2.705 1.00 0.00 N ATOM 1081 CA THR A 74 18.280 -1.002 -3.068 1.00 0.00 C ATOM 1082 C THR A 74 18.239 -0.810 -4.580 1.00 0.00 C ATOM 1083 O THR A 74 18.652 -1.688 -5.338 1.00 0.00 O ATOM 1084 CB THR A 74 19.657 -0.553 -2.543 1.00 0.00 C ATOM 1085 OG1 THR A 74 19.808 -0.941 -1.173 1.00 0.00 O ATOM 1086 CG2 THR A 74 19.820 0.954 -2.670 1.00 0.00 C ATOM 0 H THR A 74 18.731 -2.836 -2.160 1.00 0.00 H new ATOM 0 HA THR A 74 17.506 -0.390 -2.605 1.00 0.00 H new ATOM 0 HB THR A 74 20.427 -1.037 -3.145 1.00 0.00 H new ATOM 0 HG1 THR A 74 20.686 -0.654 -0.847 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.800 1.247 -2.293 1.00 0.00 H new ATOM 0 HG22 THR A 74 19.733 1.242 -3.718 1.00 0.00 H new ATOM 0 HG23 THR A 74 19.044 1.454 -2.091 1.00 0.00 H new ATOM 1094 N ASP A 75 17.738 0.342 -5.012 1.00 0.00 N ATOM 1095 CA ASP A 75 17.644 0.649 -6.435 1.00 0.00 C ATOM 1096 C ASP A 75 16.675 -0.300 -7.133 1.00 0.00 C ATOM 1097 O ASP A 75 16.938 -0.766 -8.241 1.00 0.00 O ATOM 1098 CB ASP A 75 19.024 0.562 -7.089 1.00 0.00 C ATOM 1099 CG ASP A 75 19.013 1.037 -8.528 1.00 0.00 C ATOM 1100 OD1 ASP A 75 18.787 2.245 -8.752 1.00 0.00 O ATOM 1101 OD2 ASP A 75 19.230 0.202 -9.431 1.00 0.00 O ATOM 0 H ASP A 75 17.391 1.079 -4.398 1.00 0.00 H new ATOM 0 HA ASP A 75 17.265 1.666 -6.538 1.00 0.00 H new ATOM 0 HB2 ASP A 75 19.732 1.161 -6.517 1.00 0.00 H new ATOM 0 HB3 ASP A 75 19.376 -0.469 -7.052 1.00 0.00 H new ATOM 1106 N ALA A 76 15.555 -0.583 -6.476 1.00 0.00 N ATOM 1107 CA ALA A 76 14.547 -1.476 -7.034 1.00 0.00 C ATOM 1108 C ALA A 76 13.188 -0.789 -7.112 1.00 0.00 C ATOM 1109 O ALA A 76 12.735 -0.174 -6.146 1.00 0.00 O ATOM 1110 CB ALA A 76 14.451 -2.748 -6.204 1.00 0.00 C ATOM 0 H ALA A 76 15.323 -0.207 -5.557 1.00 0.00 H new ATOM 0 HA ALA A 76 14.851 -1.739 -8.047 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.694 -3.406 -6.632 1.00 0.00 H new ATOM 0 HB2 ALA A 76 15.415 -3.256 -6.204 1.00 0.00 H new ATOM 0 HB3 ALA A 76 14.174 -2.495 -5.181 1.00 0.00 H new ATOM 1116 N LYS A 77 12.541 -0.897 -8.268 1.00 0.00 N ATOM 1117 CA LYS A 77 11.233 -0.286 -8.473 1.00 0.00 C ATOM 1118 C LYS A 77 10.116 -1.290 -8.202 1.00 0.00 C ATOM 1119 O LYS A 77 10.087 -2.373 -8.786 1.00 0.00 O ATOM 1120 CB LYS A 77 11.116 0.250 -9.901 1.00 0.00 C ATOM 1121 CG LYS A 77 11.936 1.504 -10.149 1.00 0.00 C ATOM 1122 CD LYS A 77 12.005 1.841 -11.629 1.00 0.00 C ATOM 1123 CE LYS A 77 12.310 3.315 -11.851 1.00 0.00 C ATOM 1124 NZ LYS A 77 12.243 3.684 -13.292 1.00 0.00 N ATOM 0 H LYS A 77 12.902 -1.402 -9.077 1.00 0.00 H new ATOM 0 HA LYS A 77 11.132 0.542 -7.772 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.433 -0.525 -10.598 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.069 0.462 -10.116 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.497 2.340 -9.604 1.00 0.00 H new ATOM 0 HG3 LYS A 77 12.944 1.364 -9.759 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.774 1.233 -12.106 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.058 1.588 -12.105 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.601 3.921 -11.287 1.00 0.00 H new ATOM 0 HE3 LYS A 77 13.303 3.543 -11.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.457 4.696 -13.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 12.937 3.124 -13.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.288 3.491 -13.656 1.00 0.00 H new ATOM 1138 N ILE A 78 9.199 -0.921 -7.313 1.00 0.00 N ATOM 1139 CA ILE A 78 8.080 -1.789 -6.968 1.00 0.00 C ATOM 1140 C ILE A 78 6.755 -1.039 -7.059 1.00 0.00 C ATOM 1141 O ILE A 78 6.692 0.165 -6.810 1.00 0.00 O ATOM 1142 CB ILE A 78 8.233 -2.367 -5.549 1.00 0.00 C ATOM 1143 CG1 ILE A 78 8.229 -1.241 -4.513 1.00 0.00 C ATOM 1144 CG2 ILE A 78 9.511 -3.186 -5.445 1.00 0.00 C ATOM 1145 CD1 ILE A 78 7.776 -1.685 -3.139 1.00 0.00 C ATOM 0 H ILE A 78 9.209 -0.028 -6.820 1.00 0.00 H new ATOM 0 HA ILE A 78 8.082 -2.608 -7.687 1.00 0.00 H new ATOM 0 HB ILE A 78 7.387 -3.024 -5.347 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.233 -0.824 -4.438 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.576 -0.441 -4.861 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.605 -3.588 -4.436 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.476 -4.007 -6.161 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.369 -2.551 -5.664 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.798 -0.835 -2.456 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.760 -2.075 -3.199 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.443 -2.464 -2.770 1.00 0.00 H new ATOM 1157 N PHE A 79 5.697 -1.759 -7.417 1.00 0.00 N ATOM 1158 CA PHE A 79 4.372 -1.162 -7.540 1.00 0.00 C ATOM 1159 C PHE A 79 3.540 -1.423 -6.288 1.00 0.00 C ATOM 1160 O PHE A 79 3.393 -2.565 -5.852 1.00 0.00 O ATOM 1161 CB PHE A 79 3.652 -1.719 -8.770 1.00 0.00 C ATOM 1162 CG PHE A 79 4.373 -1.450 -10.060 1.00 0.00 C ATOM 1163 CD1 PHE A 79 4.314 -0.200 -10.655 1.00 0.00 C ATOM 1164 CD2 PHE A 79 5.111 -2.448 -10.677 1.00 0.00 C ATOM 1165 CE1 PHE A 79 4.977 0.050 -11.842 1.00 0.00 C ATOM 1166 CE2 PHE A 79 5.776 -2.203 -11.863 1.00 0.00 C ATOM 1167 CZ PHE A 79 5.708 -0.953 -12.447 1.00 0.00 C ATOM 0 H PHE A 79 5.731 -2.757 -7.627 1.00 0.00 H new ATOM 0 HA PHE A 79 4.494 -0.085 -7.655 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.526 -2.795 -8.651 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.653 -1.285 -8.824 1.00 0.00 H new ATOM 0 HD1 PHE A 79 3.743 0.588 -10.186 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.167 -3.428 -10.226 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.923 1.029 -12.296 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.349 -2.989 -12.333 1.00 0.00 H new ATOM 0 HZ PHE A 79 6.226 -0.761 -13.375 1.00 0.00 H new ATOM 1177 N VAL A 80 2.996 -0.355 -5.713 1.00 0.00 N ATOM 1178 CA VAL A 80 2.178 -0.466 -4.512 1.00 0.00 C ATOM 1179 C VAL A 80 0.701 -0.268 -4.832 1.00 0.00 C ATOM 1180 O VAL A 80 0.339 0.601 -5.626 1.00 0.00 O ATOM 1181 CB VAL A 80 2.603 0.561 -3.446 1.00 0.00 C ATOM 1182 CG1 VAL A 80 1.597 0.594 -2.305 1.00 0.00 C ATOM 1183 CG2 VAL A 80 3.998 0.246 -2.929 1.00 0.00 C ATOM 0 H VAL A 80 3.107 0.598 -6.060 1.00 0.00 H new ATOM 0 HA VAL A 80 2.330 -1.471 -4.118 1.00 0.00 H new ATOM 0 HB VAL A 80 2.626 1.549 -3.907 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.914 1.325 -1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.617 0.872 -2.692 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.539 -0.391 -1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.282 0.982 -2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.005 -0.749 -2.484 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.708 0.279 -3.755 1.00 0.00 H new ATOM 1193 N ARG A 81 -0.148 -1.078 -4.209 1.00 0.00 N ATOM 1194 CA ARG A 81 -1.587 -0.993 -4.429 1.00 0.00 C ATOM 1195 C ARG A 81 -2.354 -1.397 -3.173 1.00 0.00 C ATOM 1196 O ARG A 81 -2.063 -2.424 -2.560 1.00 0.00 O ATOM 1197 CB ARG A 81 -2.000 -1.885 -5.601 1.00 0.00 C ATOM 1198 CG ARG A 81 -2.253 -3.330 -5.207 1.00 0.00 C ATOM 1199 CD ARG A 81 -2.405 -4.223 -6.428 1.00 0.00 C ATOM 1200 NE ARG A 81 -2.267 -5.638 -6.093 1.00 0.00 N ATOM 1201 CZ ARG A 81 -3.265 -6.385 -5.635 1.00 0.00 C ATOM 1202 NH1 ARG A 81 -4.467 -5.856 -5.460 1.00 0.00 N ATOM 1203 NH2 ARG A 81 -3.061 -7.666 -5.353 1.00 0.00 N ATOM 0 H ARG A 81 0.135 -1.801 -3.548 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.832 0.042 -4.666 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.903 -1.478 -6.056 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.219 -1.856 -6.361 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.428 -3.690 -4.592 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.155 -3.389 -4.597 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.381 -4.052 -6.883 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.655 -3.952 -7.171 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.354 -6.076 -6.218 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.628 -4.872 -5.677 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.232 -6.432 -5.108 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.137 -8.077 -5.488 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.828 -8.239 -5.001 1.00 0.00 H new ATOM 1217 N VAL A 82 -3.335 -0.583 -2.797 1.00 0.00 N ATOM 1218 CA VAL A 82 -4.144 -0.856 -1.615 1.00 0.00 C ATOM 1219 C VAL A 82 -5.630 -0.844 -1.952 1.00 0.00 C ATOM 1220 O VAL A 82 -6.042 -0.299 -2.976 1.00 0.00 O ATOM 1221 CB VAL A 82 -3.873 0.172 -0.500 1.00 0.00 C ATOM 1222 CG1 VAL A 82 -2.464 0.007 0.048 1.00 0.00 C ATOM 1223 CG2 VAL A 82 -4.093 1.586 -1.015 1.00 0.00 C ATOM 0 H VAL A 82 -3.589 0.271 -3.294 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.863 -1.848 -1.261 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.576 -0.007 0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.291 0.742 0.834 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.348 -0.997 0.457 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.742 0.158 -0.754 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.897 2.299 -0.214 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.416 1.780 -1.847 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.124 1.694 -1.353 1.00 0.00 H new ATOM 1233 N LYS A 83 -6.433 -1.450 -1.084 1.00 0.00 N ATOM 1234 CA LYS A 83 -7.876 -1.509 -1.287 1.00 0.00 C ATOM 1235 C LYS A 83 -8.605 -1.687 0.041 1.00 0.00 C ATOM 1236 O LYS A 83 -7.983 -1.930 1.074 1.00 0.00 O ATOM 1237 CB LYS A 83 -8.232 -2.657 -2.234 1.00 0.00 C ATOM 1238 CG LYS A 83 -8.491 -3.974 -1.524 1.00 0.00 C ATOM 1239 CD LYS A 83 -7.237 -4.497 -0.842 1.00 0.00 C ATOM 1240 CE LYS A 83 -6.427 -5.386 -1.773 1.00 0.00 C ATOM 1241 NZ LYS A 83 -5.808 -4.609 -2.882 1.00 0.00 N ATOM 0 H LYS A 83 -6.109 -1.908 -0.232 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.194 -0.567 -1.733 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.118 -2.383 -2.807 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.420 -2.793 -2.948 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.280 -3.840 -0.784 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.850 -4.711 -2.242 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.624 -3.658 -0.513 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.514 -5.059 0.050 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.647 -5.892 -1.204 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.072 -6.160 -2.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.887 -5.026 -3.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.431 -4.635 -3.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.673 -3.623 -2.581 1.00 0.00 H new ATOM 1255 N ALA A 84 -9.928 -1.566 0.005 1.00 0.00 N ATOM 1256 CA ALA A 84 -10.742 -1.717 1.204 1.00 0.00 C ATOM 1257 C ALA A 84 -11.273 -3.141 1.332 1.00 0.00 C ATOM 1258 O ALA A 84 -11.750 -3.726 0.359 1.00 0.00 O ATOM 1259 CB ALA A 84 -11.893 -0.722 1.190 1.00 0.00 C ATOM 0 H ALA A 84 -10.459 -1.364 -0.842 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.111 -1.513 2.069 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.493 -0.846 2.092 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -11.496 0.293 1.155 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.516 -0.898 0.313 1.00 0.00 H new ATOM 1265 N VAL A 85 -11.187 -3.694 2.538 1.00 0.00 N ATOM 1266 CA VAL A 85 -11.659 -5.050 2.792 1.00 0.00 C ATOM 1267 C VAL A 85 -12.640 -5.080 3.959 1.00 0.00 C ATOM 1268 O VAL A 85 -12.256 -4.884 5.111 1.00 0.00 O ATOM 1269 CB VAL A 85 -10.489 -6.004 3.095 1.00 0.00 C ATOM 1270 CG1 VAL A 85 -11.007 -7.341 3.602 1.00 0.00 C ATOM 1271 CG2 VAL A 85 -9.623 -6.193 1.859 1.00 0.00 C ATOM 0 H VAL A 85 -10.795 -3.224 3.354 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.165 -5.384 1.886 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.874 -5.560 3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -10.166 -8.002 3.811 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.582 -7.186 4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.645 -7.795 2.844 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -8.801 -6.870 2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.225 -6.615 1.054 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.222 -5.229 1.545 1.00 0.00 H new ATOM 1281 N ASN A 86 -13.909 -5.328 3.652 1.00 0.00 N ATOM 1282 CA ASN A 86 -14.946 -5.384 4.676 1.00 0.00 C ATOM 1283 C ASN A 86 -15.577 -6.772 4.736 1.00 0.00 C ATOM 1284 O ASN A 86 -15.473 -7.553 3.791 1.00 0.00 O ATOM 1285 CB ASN A 86 -16.023 -4.333 4.398 1.00 0.00 C ATOM 1286 CG ASN A 86 -15.443 -2.944 4.219 1.00 0.00 C ATOM 1287 OD1 ASN A 86 -15.926 -1.976 4.808 1.00 0.00 O ATOM 1288 ND2 ASN A 86 -14.402 -2.838 3.402 1.00 0.00 N ATOM 0 H ASN A 86 -14.244 -5.493 2.703 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.482 -5.173 5.640 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -16.575 -4.611 3.501 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -16.737 -4.322 5.221 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -13.970 -1.928 3.242 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -14.034 -3.667 2.935 1.00 0.00 H new ATOM 1295 N ALA A 87 -16.232 -7.070 5.853 1.00 0.00 N ATOM 1296 CA ALA A 87 -16.882 -8.362 6.035 1.00 0.00 C ATOM 1297 C ALA A 87 -17.859 -8.650 4.901 1.00 0.00 C ATOM 1298 O ALA A 87 -18.306 -9.783 4.727 1.00 0.00 O ATOM 1299 CB ALA A 87 -17.600 -8.407 7.376 1.00 0.00 C ATOM 0 H ALA A 87 -16.327 -6.435 6.645 1.00 0.00 H new ATOM 0 HA ALA A 87 -16.112 -9.133 6.021 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -18.081 -9.377 7.499 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -16.880 -8.255 8.180 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -18.354 -7.621 7.411 1.00 0.00 H new ATOM 1305 N ALA A 88 -18.186 -7.617 4.131 1.00 0.00 N ATOM 1306 CA ALA A 88 -19.109 -7.760 3.012 1.00 0.00 C ATOM 1307 C ALA A 88 -18.382 -8.228 1.756 1.00 0.00 C ATOM 1308 O ALA A 88 -18.922 -9.000 0.965 1.00 0.00 O ATOM 1309 CB ALA A 88 -19.828 -6.445 2.749 1.00 0.00 C ATOM 0 H ALA A 88 -17.825 -6.672 4.262 1.00 0.00 H new ATOM 0 HA ALA A 88 -19.846 -8.518 3.277 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -20.514 -6.567 1.911 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -20.388 -6.153 3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -19.097 -5.672 2.511 1.00 0.00 H new ATOM 1315 N GLY A 89 -17.152 -7.754 1.580 1.00 0.00 N ATOM 1316 CA GLY A 89 -16.370 -8.134 0.417 1.00 0.00 C ATOM 1317 C GLY A 89 -15.069 -7.364 0.316 1.00 0.00 C ATOM 1318 O GLY A 89 -14.276 -7.346 1.257 1.00 0.00 O ATOM 0 H GLY A 89 -16.683 -7.114 2.221 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -16.154 -9.202 0.461 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -16.959 -7.965 -0.484 1.00 0.00 H new ATOM 1322 N ALA A 90 -14.848 -6.726 -0.829 1.00 0.00 N ATOM 1323 CA ALA A 90 -13.634 -5.950 -1.049 1.00 0.00 C ATOM 1324 C ALA A 90 -13.845 -4.897 -2.132 1.00 0.00 C ATOM 1325 O ALA A 90 -14.762 -5.004 -2.945 1.00 0.00 O ATOM 1326 CB ALA A 90 -12.480 -6.870 -1.422 1.00 0.00 C ATOM 0 H ALA A 90 -15.494 -6.731 -1.618 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.388 -5.435 -0.121 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.580 -6.277 -1.583 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.306 -7.581 -0.615 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.727 -7.411 -2.335 1.00 0.00 H new ATOM 1332 N SER A 91 -12.990 -3.879 -2.135 1.00 0.00 N ATOM 1333 CA SER A 91 -13.085 -2.803 -3.115 1.00 0.00 C ATOM 1334 C SER A 91 -11.984 -2.925 -4.164 1.00 0.00 C ATOM 1335 O SER A 91 -11.026 -3.676 -3.988 1.00 0.00 O ATOM 1336 CB SER A 91 -12.996 -1.443 -2.420 1.00 0.00 C ATOM 1337 OG SER A 91 -13.599 -0.429 -3.206 1.00 0.00 O ATOM 0 H SER A 91 -12.224 -3.777 -1.470 1.00 0.00 H new ATOM 0 HA SER A 91 -14.050 -2.884 -3.616 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.487 -1.495 -1.448 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.951 -1.192 -2.236 1.00 0.00 H new ATOM 0 HG SER A 91 -14.500 -0.245 -2.867 1.00 0.00 H new ATOM 1343 N GLU A 92 -12.130 -2.179 -5.255 1.00 0.00 N ATOM 1344 CA GLU A 92 -11.149 -2.204 -6.333 1.00 0.00 C ATOM 1345 C GLU A 92 -9.786 -1.726 -5.839 1.00 0.00 C ATOM 1346 O GLU A 92 -9.681 -0.823 -5.008 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.616 -1.330 -7.498 1.00 0.00 C ATOM 1348 CG GLU A 92 -11.221 0.131 -7.361 1.00 0.00 C ATOM 1349 CD GLU A 92 -11.895 1.017 -8.390 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -13.135 0.941 -8.517 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -11.183 1.787 -9.067 1.00 0.00 O ATOM 0 H GLU A 92 -12.917 -1.551 -5.415 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.051 -3.234 -6.677 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.201 -1.724 -8.426 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.701 -1.398 -7.580 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.479 0.481 -6.361 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.139 0.222 -7.462 1.00 0.00 H new ATOM 1358 N PRO A 93 -8.717 -2.345 -6.362 1.00 0.00 N ATOM 1359 CA PRO A 93 -7.342 -2.000 -5.989 1.00 0.00 C ATOM 1360 C PRO A 93 -6.926 -0.629 -6.512 1.00 0.00 C ATOM 1361 O PRO A 93 -7.346 -0.211 -7.591 1.00 0.00 O ATOM 1362 CB PRO A 93 -6.509 -3.100 -6.651 1.00 0.00 C ATOM 1363 CG PRO A 93 -7.338 -3.565 -7.798 1.00 0.00 C ATOM 1364 CD PRO A 93 -8.769 -3.429 -7.357 1.00 0.00 C ATOM 0 HA PRO A 93 -7.215 -1.942 -4.908 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.545 -2.718 -6.988 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.304 -3.914 -5.955 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.145 -2.965 -8.687 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.105 -4.599 -8.054 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.424 -3.178 -8.191 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.146 -4.355 -6.923 1.00 0.00 H new ATOM 1372 N LYS A 94 -6.098 0.067 -5.741 1.00 0.00 N ATOM 1373 CA LYS A 94 -5.623 1.391 -6.126 1.00 0.00 C ATOM 1374 C LYS A 94 -4.233 1.310 -6.749 1.00 0.00 C ATOM 1375 O LYS A 94 -3.296 0.800 -6.135 1.00 0.00 O ATOM 1376 CB LYS A 94 -5.596 2.320 -4.910 1.00 0.00 C ATOM 1377 CG LYS A 94 -4.986 3.681 -5.198 1.00 0.00 C ATOM 1378 CD LYS A 94 -5.974 4.597 -5.900 1.00 0.00 C ATOM 1379 CE LYS A 94 -5.554 6.055 -5.795 1.00 0.00 C ATOM 1380 NZ LYS A 94 -4.554 6.421 -6.835 1.00 0.00 N ATOM 0 H LYS A 94 -5.741 -0.264 -4.845 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.312 1.795 -6.868 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.614 2.457 -4.545 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.033 1.841 -4.109 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.662 4.141 -4.264 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.098 3.559 -5.818 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.051 4.314 -6.950 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.964 4.470 -5.462 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.432 6.694 -5.895 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.135 6.242 -4.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.294 7.422 -6.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.706 5.829 -6.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.963 6.267 -7.779 1.00 0.00 H new ATOM 1394 N TYR A 95 -4.107 1.817 -7.970 1.00 0.00 N ATOM 1395 CA TYR A 95 -2.832 1.802 -8.676 1.00 0.00 C ATOM 1396 C TYR A 95 -2.167 3.174 -8.632 1.00 0.00 C ATOM 1397 O TYR A 95 -2.662 4.135 -9.221 1.00 0.00 O ATOM 1398 CB TYR A 95 -3.034 1.367 -10.129 1.00 0.00 C ATOM 1399 CG TYR A 95 -3.291 -0.114 -10.288 1.00 0.00 C ATOM 1400 CD1 TYR A 95 -2.239 -1.009 -10.436 1.00 0.00 C ATOM 1401 CD2 TYR A 95 -4.586 -0.618 -10.292 1.00 0.00 C ATOM 1402 CE1 TYR A 95 -2.469 -2.364 -10.582 1.00 0.00 C ATOM 1403 CE2 TYR A 95 -4.825 -1.971 -10.436 1.00 0.00 C ATOM 1404 CZ TYR A 95 -3.763 -2.840 -10.581 1.00 0.00 C ATOM 1405 OH TYR A 95 -3.998 -4.188 -10.726 1.00 0.00 O ATOM 0 H TYR A 95 -4.873 2.244 -8.492 1.00 0.00 H new ATOM 0 HA TYR A 95 -2.179 1.086 -8.177 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.873 1.920 -10.552 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.150 1.638 -10.707 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -1.224 -0.640 -10.437 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.420 0.059 -10.181 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -1.640 -3.046 -10.696 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -5.838 -2.347 -10.435 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.963 -4.356 -10.703 1.00 0.00 H new ATOM 1415 N TYR A 96 -1.043 3.258 -7.930 1.00 0.00 N ATOM 1416 CA TYR A 96 -0.311 4.512 -7.806 1.00 0.00 C ATOM 1417 C TYR A 96 0.207 4.977 -9.163 1.00 0.00 C ATOM 1418 O TYR A 96 1.014 4.297 -9.799 1.00 0.00 O ATOM 1419 CB TYR A 96 0.857 4.351 -6.830 1.00 0.00 C ATOM 1420 CG TYR A 96 1.265 5.642 -6.156 1.00 0.00 C ATOM 1421 CD1 TYR A 96 1.320 6.833 -6.869 1.00 0.00 C ATOM 1422 CD2 TYR A 96 1.594 5.670 -4.807 1.00 0.00 C ATOM 1423 CE1 TYR A 96 1.694 8.014 -6.257 1.00 0.00 C ATOM 1424 CE2 TYR A 96 1.967 6.846 -4.186 1.00 0.00 C ATOM 1425 CZ TYR A 96 2.016 8.016 -4.916 1.00 0.00 C ATOM 1426 OH TYR A 96 2.387 9.191 -4.303 1.00 0.00 O ATOM 0 H TYR A 96 -0.619 2.472 -7.438 1.00 0.00 H new ATOM 0 HA TYR A 96 -0.997 5.267 -7.421 1.00 0.00 H new ATOM 0 HB2 TYR A 96 0.584 3.623 -6.066 1.00 0.00 H new ATOM 0 HB3 TYR A 96 1.714 3.944 -7.366 1.00 0.00 H new ATOM 0 HD1 TYR A 96 1.066 6.836 -7.919 1.00 0.00 H new ATOM 0 HD2 TYR A 96 1.558 4.756 -4.233 1.00 0.00 H new ATOM 0 HE1 TYR A 96 1.734 8.931 -6.826 1.00 0.00 H new ATOM 0 HE2 TYR A 96 2.219 6.850 -3.136 1.00 0.00 H new ATOM 0 HH TYR A 96 1.943 9.945 -4.744 1.00 0.00 H new ATOM 1436 N SER A 97 -0.262 6.141 -9.601 1.00 0.00 N ATOM 1437 CA SER A 97 0.150 6.697 -10.885 1.00 0.00 C ATOM 1438 C SER A 97 1.608 6.357 -11.182 1.00 0.00 C ATOM 1439 O SER A 97 1.920 5.772 -12.218 1.00 0.00 O ATOM 1440 CB SER A 97 -0.042 8.215 -10.893 1.00 0.00 C ATOM 1441 OG SER A 97 0.890 8.843 -11.755 1.00 0.00 O ATOM 0 H SER A 97 -0.927 6.717 -9.086 1.00 0.00 H new ATOM 0 HA SER A 97 -0.474 6.254 -11.661 1.00 0.00 H new ATOM 0 HB2 SER A 97 -1.056 8.455 -11.213 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.074 8.605 -9.882 1.00 0.00 H new ATOM 0 HG SER A 97 0.745 9.812 -11.743 1.00 0.00 H new ATOM 1447 N GLN A 98 2.494 6.728 -10.263 1.00 0.00 N ATOM 1448 CA GLN A 98 3.919 6.462 -10.426 1.00 0.00 C ATOM 1449 C GLN A 98 4.408 5.457 -9.389 1.00 0.00 C ATOM 1450 O GLN A 98 3.925 5.412 -8.257 1.00 0.00 O ATOM 1451 CB GLN A 98 4.717 7.762 -10.311 1.00 0.00 C ATOM 1452 CG GLN A 98 4.816 8.534 -11.617 1.00 0.00 C ATOM 1453 CD GLN A 98 5.810 7.921 -12.583 1.00 0.00 C ATOM 1454 OE1 GLN A 98 5.438 7.441 -13.654 1.00 0.00 O ATOM 1455 NE2 GLN A 98 7.085 7.934 -12.209 1.00 0.00 N ATOM 0 H GLN A 98 2.251 7.213 -9.399 1.00 0.00 H new ATOM 0 HA GLN A 98 4.073 6.036 -11.417 1.00 0.00 H new ATOM 0 HB2 GLN A 98 4.253 8.398 -9.557 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.722 7.531 -9.958 1.00 0.00 H new ATOM 0 HG2 GLN A 98 3.834 8.572 -12.088 1.00 0.00 H new ATOM 0 HG3 GLN A 98 5.108 9.563 -11.405 1.00 0.00 H new ATOM 0 HE21 GLN A 98 7.349 8.342 -11.312 1.00 0.00 H new ATOM 0 HE22 GLN A 98 7.799 7.536 -12.819 1.00 0.00 H new ATOM 1464 N PRO A 99 5.389 4.631 -9.781 1.00 0.00 N ATOM 1465 CA PRO A 99 5.965 3.611 -8.899 1.00 0.00 C ATOM 1466 C PRO A 99 6.794 4.220 -7.773 1.00 0.00 C ATOM 1467 O PRO A 99 7.200 5.380 -7.846 1.00 0.00 O ATOM 1468 CB PRO A 99 6.856 2.794 -9.838 1.00 0.00 C ATOM 1469 CG PRO A 99 7.205 3.731 -10.941 1.00 0.00 C ATOM 1470 CD PRO A 99 6.012 4.629 -11.115 1.00 0.00 C ATOM 0 HA PRO A 99 5.196 3.022 -8.399 1.00 0.00 H new ATOM 0 HB2 PRO A 99 7.749 2.437 -9.325 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.332 1.916 -10.216 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.096 4.309 -10.695 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.422 3.188 -11.861 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.306 5.633 -11.423 1.00 0.00 H new ATOM 0 HD3 PRO A 99 5.331 4.249 -11.876 1.00 0.00 H new ATOM 1478 N ILE A 100 7.041 3.430 -6.734 1.00 0.00 N ATOM 1479 CA ILE A 100 7.823 3.892 -5.594 1.00 0.00 C ATOM 1480 C ILE A 100 9.207 3.252 -5.581 1.00 0.00 C ATOM 1481 O ILE A 100 9.343 2.043 -5.388 1.00 0.00 O ATOM 1482 CB ILE A 100 7.114 3.581 -4.262 1.00 0.00 C ATOM 1483 CG1 ILE A 100 5.679 4.109 -4.288 1.00 0.00 C ATOM 1484 CG2 ILE A 100 7.886 4.184 -3.098 1.00 0.00 C ATOM 1485 CD1 ILE A 100 4.741 3.270 -5.128 1.00 0.00 C ATOM 0 H ILE A 100 6.711 2.468 -6.658 1.00 0.00 H new ATOM 0 HA ILE A 100 7.926 4.972 -5.699 1.00 0.00 H new ATOM 0 HB ILE A 100 7.080 2.500 -4.129 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.298 4.153 -3.268 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.683 5.129 -4.672 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.373 3.956 -2.164 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.891 3.764 -3.072 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.948 5.265 -3.223 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.741 3.704 -5.100 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.098 3.246 -6.158 1.00 0.00 H new ATOM 0 HD13 ILE A 100 4.707 2.255 -4.732 1.00 0.00 H new ATOM 1497 N LEU A 101 10.233 4.070 -5.787 1.00 0.00 N ATOM 1498 CA LEU A 101 11.609 3.585 -5.798 1.00 0.00 C ATOM 1499 C LEU A 101 12.175 3.523 -4.383 1.00 0.00 C ATOM 1500 O LEU A 101 12.099 4.492 -3.629 1.00 0.00 O ATOM 1501 CB LEU A 101 12.482 4.490 -6.669 1.00 0.00 C ATOM 1502 CG LEU A 101 13.908 4.000 -6.926 1.00 0.00 C ATOM 1503 CD1 LEU A 101 13.921 2.944 -8.020 1.00 0.00 C ATOM 1504 CD2 LEU A 101 14.813 5.166 -7.297 1.00 0.00 C ATOM 0 H LEU A 101 10.138 5.073 -5.949 1.00 0.00 H new ATOM 0 HA LEU A 101 11.610 2.578 -6.215 1.00 0.00 H new ATOM 0 HB2 LEU A 101 11.986 4.624 -7.630 1.00 0.00 H new ATOM 0 HB3 LEU A 101 12.536 5.472 -6.199 1.00 0.00 H new ATOM 0 HG LEU A 101 14.287 3.548 -6.009 1.00 0.00 H new ATOM 0 HD11 LEU A 101 14.944 2.608 -8.189 1.00 0.00 H new ATOM 0 HD12 LEU A 101 13.306 2.097 -7.716 1.00 0.00 H new ATOM 0 HD13 LEU A 101 13.522 3.369 -8.941 1.00 0.00 H new ATOM 0 HD21 LEU A 101 15.824 4.799 -7.476 1.00 0.00 H new ATOM 0 HD22 LEU A 101 14.436 5.647 -8.200 1.00 0.00 H new ATOM 0 HD23 LEU A 101 14.829 5.888 -6.481 1.00 0.00 H new ATOM 1516 N VAL A 102 12.746 2.375 -4.030 1.00 0.00 N ATOM 1517 CA VAL A 102 13.328 2.186 -2.707 1.00 0.00 C ATOM 1518 C VAL A 102 14.699 2.847 -2.611 1.00 0.00 C ATOM 1519 O VAL A 102 15.720 2.170 -2.486 1.00 0.00 O ATOM 1520 CB VAL A 102 13.466 0.691 -2.362 1.00 0.00 C ATOM 1521 CG1 VAL A 102 14.391 -0.002 -3.350 1.00 0.00 C ATOM 1522 CG2 VAL A 102 13.968 0.518 -0.937 1.00 0.00 C ATOM 0 H VAL A 102 12.818 1.562 -4.642 1.00 0.00 H new ATOM 0 HA VAL A 102 12.650 2.654 -1.993 1.00 0.00 H new ATOM 0 HB VAL A 102 12.483 0.227 -2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 102 14.476 -1.057 -3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 102 13.984 0.092 -4.357 1.00 0.00 H new ATOM 0 HG13 VAL A 102 15.377 0.462 -3.312 1.00 0.00 H new ATOM 0 HG21 VAL A 102 14.060 -0.544 -0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 102 14.942 0.997 -0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 102 13.263 0.977 -0.244 1.00 0.00 H new ATOM 1532 N LYS A 103 14.716 4.174 -2.669 1.00 0.00 N ATOM 1533 CA LYS A 103 15.960 4.929 -2.587 1.00 0.00 C ATOM 1534 C LYS A 103 15.848 6.055 -1.565 1.00 0.00 C ATOM 1535 O LYS A 103 14.825 6.734 -1.488 1.00 0.00 O ATOM 1536 CB LYS A 103 16.323 5.504 -3.958 1.00 0.00 C ATOM 1537 CG LYS A 103 17.697 6.152 -4.001 1.00 0.00 C ATOM 1538 CD LYS A 103 18.775 5.148 -4.372 1.00 0.00 C ATOM 1539 CE LYS A 103 20.129 5.820 -4.538 1.00 0.00 C ATOM 1540 NZ LYS A 103 21.251 4.892 -4.226 1.00 0.00 N ATOM 0 H LYS A 103 13.880 4.750 -2.773 1.00 0.00 H new ATOM 0 HA LYS A 103 16.748 4.248 -2.265 1.00 0.00 H new ATOM 0 HB2 LYS A 103 16.283 4.706 -4.700 1.00 0.00 H new ATOM 0 HB3 LYS A 103 15.573 6.242 -4.243 1.00 0.00 H new ATOM 0 HG2 LYS A 103 17.693 6.967 -4.724 1.00 0.00 H new ATOM 0 HG3 LYS A 103 17.925 6.589 -3.029 1.00 0.00 H new ATOM 0 HD2 LYS A 103 18.840 4.381 -3.600 1.00 0.00 H new ATOM 0 HD3 LYS A 103 18.501 4.645 -5.299 1.00 0.00 H new ATOM 0 HE2 LYS A 103 20.231 6.183 -5.561 1.00 0.00 H new ATOM 0 HE3 LYS A 103 20.185 6.690 -3.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 22.157 5.388 -4.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 21.168 4.565 -3.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 21.213 4.074 -4.867 1.00 0.00 H new ATOM 1554 N GLU A 104 16.906 6.247 -0.783 1.00 0.00 N ATOM 1555 CA GLU A 104 16.924 7.292 0.233 1.00 0.00 C ATOM 1556 C GLU A 104 16.795 8.673 -0.403 1.00 0.00 C ATOM 1557 O GLU A 104 17.220 8.887 -1.538 1.00 0.00 O ATOM 1558 CB GLU A 104 18.214 7.215 1.053 1.00 0.00 C ATOM 1559 CG GLU A 104 18.243 8.172 2.233 1.00 0.00 C ATOM 1560 CD GLU A 104 18.819 9.527 1.872 1.00 0.00 C ATOM 1561 OE1 GLU A 104 19.751 9.574 1.042 1.00 0.00 O ATOM 1562 OE2 GLU A 104 18.337 10.541 2.419 1.00 0.00 O ATOM 0 H GLU A 104 17.761 5.693 -0.834 1.00 0.00 H new ATOM 0 HA GLU A 104 16.071 7.134 0.894 1.00 0.00 H new ATOM 0 HB2 GLU A 104 18.342 6.196 1.419 1.00 0.00 H new ATOM 0 HB3 GLU A 104 19.062 7.428 0.402 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.231 8.302 2.615 1.00 0.00 H new ATOM 0 HG3 GLU A 104 18.833 7.733 3.037 1.00 0.00 H new ATOM 1569 N SER A 105 16.204 9.606 0.336 1.00 0.00 N ATOM 1570 CA SER A 105 16.014 10.966 -0.157 1.00 0.00 C ATOM 1571 C SER A 105 15.747 11.929 0.996 1.00 0.00 C ATOM 1572 O SER A 105 14.945 11.645 1.884 1.00 0.00 O ATOM 1573 CB SER A 105 14.855 11.012 -1.154 1.00 0.00 C ATOM 1574 OG SER A 105 13.649 10.571 -0.554 1.00 0.00 O ATOM 0 H SER A 105 15.848 9.446 1.278 1.00 0.00 H new ATOM 0 HA SER A 105 16.930 11.275 -0.661 1.00 0.00 H new ATOM 0 HB2 SER A 105 14.730 12.029 -1.524 1.00 0.00 H new ATOM 0 HB3 SER A 105 15.087 10.385 -2.015 1.00 0.00 H new ATOM 0 HG SER A 105 12.923 10.611 -1.211 1.00 0.00 H new ATOM 1580 N GLY A 106 16.427 13.072 0.974 1.00 0.00 N ATOM 1581 CA GLY A 106 16.251 14.060 2.021 1.00 0.00 C ATOM 1582 C GLY A 106 15.770 15.394 1.484 1.00 0.00 C ATOM 1583 O GLY A 106 15.576 15.570 0.281 1.00 0.00 O ATOM 0 H GLY A 106 17.097 13.330 0.249 1.00 0.00 H new ATOM 0 HA2 GLY A 106 15.534 13.686 2.752 1.00 0.00 H new ATOM 0 HA3 GLY A 106 17.196 14.202 2.545 1.00 0.00 H new ATOM 1587 N PRO A 107 15.567 16.362 2.390 1.00 0.00 N ATOM 1588 CA PRO A 107 15.102 17.704 2.024 1.00 0.00 C ATOM 1589 C PRO A 107 16.161 18.498 1.267 1.00 0.00 C ATOM 1590 O PRO A 107 17.355 18.375 1.538 1.00 0.00 O ATOM 1591 CB PRO A 107 14.808 18.358 3.376 1.00 0.00 C ATOM 1592 CG PRO A 107 15.682 17.637 4.344 1.00 0.00 C ATOM 1593 CD PRO A 107 15.778 16.223 3.841 1.00 0.00 C ATOM 0 HA PRO A 107 14.242 17.669 1.356 1.00 0.00 H new ATOM 0 HB2 PRO A 107 15.033 19.424 3.357 1.00 0.00 H new ATOM 0 HB3 PRO A 107 13.756 18.259 3.643 1.00 0.00 H new ATOM 0 HG2 PRO A 107 16.668 18.099 4.399 1.00 0.00 H new ATOM 0 HG3 PRO A 107 15.259 17.666 5.348 1.00 0.00 H new ATOM 0 HD2 PRO A 107 16.749 15.782 4.065 1.00 0.00 H new ATOM 0 HD3 PRO A 107 15.024 15.582 4.297 1.00 0.00 H new ATOM 1601 N SER A 108 15.715 19.312 0.315 1.00 0.00 N ATOM 1602 CA SER A 108 16.624 20.124 -0.484 1.00 0.00 C ATOM 1603 C SER A 108 16.137 21.568 -0.562 1.00 0.00 C ATOM 1604 O SER A 108 15.174 21.872 -1.265 1.00 0.00 O ATOM 1605 CB SER A 108 16.758 19.542 -1.892 1.00 0.00 C ATOM 1606 OG SER A 108 17.060 18.158 -1.845 1.00 0.00 O ATOM 0 H SER A 108 14.729 19.426 0.079 1.00 0.00 H new ATOM 0 HA SER A 108 17.601 20.114 -0.000 1.00 0.00 H new ATOM 0 HB2 SER A 108 15.830 19.696 -2.443 1.00 0.00 H new ATOM 0 HB3 SER A 108 17.542 20.070 -2.434 1.00 0.00 H new ATOM 0 HG SER A 108 17.139 17.809 -2.757 1.00 0.00 H new ATOM 1612 N SER A 109 16.811 22.454 0.165 1.00 0.00 N ATOM 1613 CA SER A 109 16.446 23.865 0.181 1.00 0.00 C ATOM 1614 C SER A 109 16.330 24.413 -1.238 1.00 0.00 C ATOM 1615 O SER A 109 17.152 24.109 -2.101 1.00 0.00 O ATOM 1616 CB SER A 109 17.479 24.672 0.969 1.00 0.00 C ATOM 1617 OG SER A 109 17.138 26.047 1.000 1.00 0.00 O ATOM 0 H SER A 109 17.613 22.219 0.750 1.00 0.00 H new ATOM 0 HA SER A 109 15.475 23.958 0.668 1.00 0.00 H new ATOM 0 HB2 SER A 109 17.545 24.288 1.987 1.00 0.00 H new ATOM 0 HB3 SER A 109 18.463 24.549 0.517 1.00 0.00 H new ATOM 0 HG SER A 109 17.813 26.540 1.511 1.00 0.00 H new ATOM 1623 N GLY A 110 15.302 25.224 -1.471 1.00 0.00 N ATOM 1624 CA GLY A 110 15.096 25.802 -2.786 1.00 0.00 C ATOM 1625 C GLY A 110 13.795 25.352 -3.420 1.00 0.00 C ATOM 1626 O GLY A 110 13.699 25.240 -4.642 1.00 0.00 O ATOM 0 H GLY A 110 14.608 25.491 -0.772 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.101 26.889 -2.706 1.00 0.00 H new ATOM 0 HA3 GLY A 110 15.927 25.526 -3.435 1.00 0.00 H new TER 1630 GLY A 110